| 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 | 29.7 | Very low | 28.6 | Very low | 233 Ų | 233 | 146.7 Ų | 146.7 | 100% | 1.148 | 74% | 0.742 | S | S | * | * | 0 | 122.9 | 0 | -70.2 | 176 | 174.4 | 0 | 0 | 105.7 | |||||
| 2 | Y | 23.3 | Very low | 30.4 | Very low | 219 Ų | 219 | 143.5 Ų | 143.5 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | cis | 58.6 | 136.5 | 45.3 | -65.3 | -50.9 | 0 | 0 | 0 | 111.9 | ||||
| 3 | V | 24.9 | Very low | 30.2 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 63% | 0.63 | 74% | 0.742 | S | S | * | * | cis | -149.4 | 136 | 3.5 | 115.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 4 | T | 29.4 | Very low | 29.9 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | 53.5 | 135.8 | 89.6 | -19.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 5 | M | 29.4 | Very low | 29.5 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | 152.8 | 161.3 | 99.3 | -103.9 | 167.8 | 78.1 | 0 | 0 | 107.6 | |||||
| 6 | M | 27.2 | Very low | 30.4 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | cis | -126 | 164.6 | 3.6 | -70 | -161.8 | -148.9 | 0 | 0 | 109.3 | ||||
| 7 | M | 30.9 | Very low | 31.8 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | cis | 61 | 147.5 | 48.9 | -72.4 | -174.8 | 171.6 | 0 | 0 | 113.1 | ||||
| 8 | T | 30.6 | Very low | 31.5 | Very low | 113 Ų | 113 | 142 Ų | 142 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | cis | -144.9 | 176.2 | 41.7 | 45.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 9 | D | 30.3 | Very low | 31.4 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | cis | -167.1 | 168.8 | -0.9 | -116.7 | 24 | 0 | 0 | 0 | 106.3 | ||||
| 10 | Q | 29.5 | Very low | 31.2 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 64% | 0.64 | 75% | 0.752 | S | S | * | * | cis | -146.7 | 167.7 | 1.6 | -84.4 | -123.1 | -13.6 | 0 | 0 | 107.5 | ||||
| 11 | I | 29.3 | Very low | 30.9 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | cis | 78.4 | 139.4 | 33.1 | -55.1 | 166.7 | 0 | 0 | 0 | 112.3 | ||||
| 12 | P | 50.5 | Low | 30.7 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | cis | -106.7 | -163.5 | -5.3 | 13.6 | 11.9 | 0 | 0 | 0 | 111.5 | ||||
| 13 | L | 27.5 | Very low | 30.9 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | cis | -168.9 | 175.2 | -31.5 | -92.9 | 164.9 | 0 | 0 | 0 | 105.2 | ||||
| 14 | E | 25.6 | Very low | 30.9 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | cis | -144.9 | -126.9 | 6.6 | -157.5 | 151.6 | -75.2 | 0 | 0 | 112 | ||||
| 15 | L | 23.7 | Very low | 30.6 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | trans | -158.6 | 179.1 | -168 | -88.3 | 173.7 | 0 | 0 | 0 | 110.2 | ||||
| 16 | P | 44.4 | Very low | 30.6 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -130.6 | -148.4 | -16.8 | 28.7 | -2.7 | 0 | 0 | 0 | 111.5 | ||||
| 17 | P | 53.7 | Low | 31.4 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | -133.1 | -171.5 | -73.2 | 41.9 | -26.1 | 0 | 0 | 0 | 116.3 | |||||
| 18 | L | 27.2 | Very low | 31.2 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | 97 | 141.6 | 148.1 | -77 | 168.5 | 0 | 0 | 0 | 123.4 | ||||
| 19 | L | 28.7 | Very low | 31.1 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | 92 | 154.8 | 148.7 | -83.6 | 163.4 | 0 | 0 | 0 | 123.4 | ||||
| 20 | N | 28.3 | Very low | 31.1 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -80.4 | 170.5 | -165.4 | -44.9 | -21.9 | 0 | 0 | 0 | 114.5 | ||||
| 21 | G | 25.3 | Very low | 31.4 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | 158.4 | 135 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 22 | E | 25.6 | Very low | 31.3 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -100.3 | 154.3 | -176.3 | -71.5 | -173.2 | 108 | 0 | 0 | 115.7 | ||||
| 23 | V | 26.8 | Very low | 30.6 | Very low | 132 Ų | 132 | 141 Ų | 141 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | 74.6 | 154.2 | 133.7 | 161.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 24 | A | 24.8 | Very low | 30.8 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 65% | 0.653 | 80% | 0.797 | S | S | * | * | trans | 83.4 | 143.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 25 | M | 24.3 | Very low | 31.9 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | cis | -157.9 | 175.8 | -13.8 | -121.4 | -162.7 | -68.2 | 0 | 0 | 112.5 | ||||
| 26 | M | 28.2 | Very low | 32.5 | Very low | 175 Ų | 175 | 134 Ų | 134 | 86% | 0.862 | 79% | 0.788 | S | S | * | * | trans | -68 | 167.2 | 173.9 | -124.8 | -170.6 | -163.9 | 0 | 0 | 113.3 | ||||
| 27 | P | 44.3 | Very low | 32.4 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | -159.6 | 171.4 | 69.3 | 43.7 | -22.5 | 0 | 0 | 0 | 120.6 | |||||
| 28 | H | 26.3 | Very low | 32 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | 57.1 | 138.6 | 150.1 | -73.4 | -56.3 | 0 | 0 | 0 | 123.9 | ||||
| 29 | I | 28.2 | Very low | 33.3 | Very low | 171 Ų | 171 | 125 Ų | 125 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | -158.2 | 166.8 | 134.2 | -107.4 | 160 | 0 | 0 | 0 | 110 | ||||
| 30 | V | 30.1 | Very low | 34.2 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | trans | -116.3 | 155.1 | -173.1 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 31 | N | 36.6 | Very low | 35.3 | Very low | 165 Ų | 165 | 116 Ų | 116 | 88% | 0.882 | 68% | 0.681 | S | S | * | * | trans | -37 | 145.2 | -179.2 | -58.9 | -8.2 | 0 | 0 | 0 | 117.6 | ||||
| 32 | G | 27.4 | Very low | 36.6 | Very low | 73 Ų | 73 | 118.7 Ų | 118.7 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | trans | -157.1 | 149.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 33 | D | 35.1 | Very low | 38.3 | Very low | 182 Ų | 182 | 110.3 Ų | 110.3 | 97% | 0.973 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -60.8 | 148.1 | -168.8 | -70.5 | -63.7 | 0 | 0 | 0 | 116.2 | ||
| 34 | G | 32.9 | Very low | 39.7 | Very low | 73 Ų | 73 | 107.9 Ų | 107.9 | 75% | 0.753 | 62% | 0.616 | S | S | * | * | trans | 130 | 98.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q36 | G34-Q36 PolarHBondContact O-N 3.04Š| ||
| 35 | S | 48.2 | Very low | 40.9 | Very low | 95 Ų | 95 | 108.9 Ų | 108.9 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | trans | -75.7 | 105 | -175.6 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 36 | Q | 36.6 | Very low | 42.1 | Very low | 148 Ų | 148 | 104 Ų | 104 | 69% | 0.692 | 61% | 0.612 | S | S | * | * | trans | -123.9 | 124.1 | 154.2 | -69.5 | -172.7 | -9.7 | 0 | 0 | 108.4 | G34 | G34-Q36 PolarHBondContact O-N 3.04Š| ||
| 37 | Q | 42.2 | Very low | 43.3 | Very low | 85 Ų | 85 | 99.6 Ų | 99.6 | 40% | 0.397 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.6 | 173.1 | -73.1 | -172.6 | -20.3 | 0 | 0 | 109.4 | F39 S71 | Q37-F39 HydrophobicContact CB-CD2 4.47Å; Q37-F39 HydrophobicContact CB-CE2 3.64Å; Q37-F39 HydrophobicContact CB-CZ 3.79Å; Q37-S71 PolarHBondContact O-N 2.96Å |
| 38 | V | 44.5 | Very low | 43.7 | Very low | 74 Ų | 74 | 98.2 Ų | 98.2 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94 | 127.8 | 171.1 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | P68 M69 M70 | V38-P68 HydrophobicContact CG1-CB 3.87Å; V38-M69 WeakPolarHBondContact CA-O 3.41Å; V38-M70 HydrophobicContact CG2-CE 4.42Å; V38-M70 HydrophobicContact CG2-CG 4.33Å |
| 39 | F | 54.3 | Low | 45.2 | Very low | 22 Ų | 22 | 93 Ų | 93 | 10% | 0.096 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.7 | 173.8 | -57.5 | -93.4 | 0 | 0 | 0 | 108.4 | Q37 M69 I76 R97 | Q37-F39 HydrophobicContact CB-CD2 4.47Å; Q37-F39 HydrophobicContact CB-CE2 3.64Å; Q37-F39 HydrophobicContact CB-CZ 3.79Å; F39-M69 PolarHBondContact N-O 2.68Å; F39-M69 PolarHBondContact O-N 3Å; F39-I76 HydrophobicContact CE1-CD1 4.42Å; F39-I76 HydrophobicContact CE1-CG1 4.03Å; F39-I76 HydrophobicContact CZ-CG1 4.15Å; F39-R97 HydrophobicContact CD1-CB 4.37Å; F39-R97 HydrophobicContact CE1-CB 4.04Å |
| 40 | L | 48.7 | Very low | 46.5 | Very low | 91 Ų | 91 | 88.3 Ų | 88.3 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.7 | 175.4 | -74.7 | 162.4 | 0 | 0 | 0 | 109.3 | P68 | L40-P68 HydrophobicContact CD2-CB 4.1Å |
| 41 | V | 51.8 | Low | 47.6 | Very low | 28 Ų | 28 | 83.9 Ų | 83.9 | 17% | 0.17 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.6 | 168.4 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | F49 E66 V67 M69 | V41-F49 HydrophobicContact CB-CE1 4.48Å; V41-F49 HydrophobicContact CG1-CD1 3.97Å; V41-F49 HydrophobicContact CG1-CE1 3.73Å; V41-F49 HydrophobicContact CG1-CG 4.47Å; V41-F49 HydrophobicContact CG1-CZ 4.05Å; V41-F49 HydrophobicContact CG2-CE1 4.41Å; V41-E66 WeakPolarHBondContact O-CA 3.2Å; V41-V67 PolarHBondContact N-O 2.78Å; V41-V67 VanDerWaalsContact N-O 3.11Å; V41-V67 PolarHBondContact O-N 3.42Å; V41-M69 HydrophobicContact CG2-SD 4.35Å |
| 42 | Q | 51.7 | Low | 48.2 | Very low | 136 Ų | 136 | 84.9 Ų | 84.9 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.5 | 176.8 | -172.5 | 178.6 | 8.7 | 0 | 0 | 108.9 | E66 | Q42-E66 HydrophobicContact CB-CG 4.45Å; Q42-E66 HydrophobicContact CG-CG 4.24Å |
| 43 | V | 62.3 | Low | 49.4 | Very low | 8 Ų | 8 | 83.2 Ų | 83.2 | 5% | 0.048 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.3 | 177.8 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | E47 F49 I61 P64 A65 | V43-E47 HydrophobicContact CG1-CB 4.05Å; V43-F49 HydrophobicContact CG1-CB 4.17Å; V43-F49 HydrophobicContact CG2-CB 3.64Å; V43-F49 HydrophobicContact CG2-CG 4.32Å; V43-I61 HydrophobicContact CG2-CG2 4.11Å; V43-P64 WeakPolarHBondContact O-CA 3.36Å; V43-A65 PolarHBondContact N-O 3.35Å; V43-A65 PolarHBondContact O-N 2.89Å |
| 44 | N | 55.2 | Low | 49.7 | Very low | 81 Ų | 81 | 84 Ų | 84 | 43% | 0.433 | 47% | 0.473 | S | S | . | . | trans | -76.4 | 158.4 | -175.4 | -57.5 | -66.6 | 0 | 0 | 0 | 112.4 | G46 E47 G63 | N44-G46 PolarHBondContact O-N 2.83Å; N44-E47 HydrophobicContact CB-CG 4.24Å; N44-E47 VanDerWaalsContact CB-OE2 3.32Å; N44-E47 WeakPolarHBondContact CB-OE2 3.43Å; N44-E47 PolarHBondContact ND2-OE2 2.72Å; N44-E47 PolarHBondContact O-N 3.36Å; N44-G63 WeakPolarHBondContact O-CA 3.23Å | ||
| 45 | P | 50.5 | Low | 50.5 | Low | 100 Ų | 100 | 86.2 Ų | 86.2 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 124.6 | 174.9 | -23.7 | 32.3 | 0 | 0 | 0 | 112.4 | E47 P64 | P45-E47 VanDerWaalsContact C-N 3.33Å; P45-P64 HydrophobicContact CG-CB 4.08Å; P45-P64 HydrophobicContact CG-CG 4.32Å |
| 46 | G | 49.1 | Very low | 50.3 | Low | 80 Ų | 80 | 83 Ų | 83 | 83% | 0.825 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | -10.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N44 | N44-G46 PolarHBondContact O-N 2.83Š|
| 47 | E | 53.2 | Low | 50.9 | Low | 82 Ų | 82 | 79.1 Ų | 79.1 | 38% | 0.383 | 44% | 0.437 | S | S | . | . | trans | -86.3 | 153.5 | 172.8 | -62.7 | -169.8 | 134 | 0 | 0 | 111.6 | V43 N44 P45 G63 | V43-E47 HydrophobicContact CG1-CB 4.05Å; N44-E47 HydrophobicContact CB-CG 4.24Å; N44-E47 VanDerWaalsContact CB-OE2 3.32Å; N44-E47 WeakPolarHBondContact CB-OE2 3.43Å; N44-E47 PolarHBondContact ND2-OE2 2.72Å; N44-E47 PolarHBondContact O-N 3.36Å; P45-E47 VanDerWaalsContact C-N 3.33Å; E47-G63 PolarHBondContact O-N 2.84Å | ||
| 48 | T | 53 | Low | 51.1 | Low | 75 Ų | 75 | 80.9 Ų | 80.9 | 46% | 0.46 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 119.7 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 109.4 | C60 I61 Q62 | T48-C60 HydrophobicContact CG2-CB 4.11Å; T48-I61 CarbonylContact C-O 3.59Å; T48-I61 WeakPolarHBondContact CA-O 3.37Å; T48-Q62 HydrophobicContact CG2-CG 4.14Å |
| 49 | F | 57.8 | Low | 51.5 | Low | 58 Ų | 58 | 82.6 Ų | 82.6 | 25% | 0.254 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.7 | 178.5 | -173 | -115 | 0 | 0 | 0 | 110 | V41 V43 I51 C60 I61 | V41-F49 HydrophobicContact CB-CE1 4.48Å; V41-F49 HydrophobicContact CG1-CD1 3.97Å; V41-F49 HydrophobicContact CG1-CE1 3.73Å; V41-F49 HydrophobicContact CG1-CG 4.47Å; V41-F49 HydrophobicContact CG1-CZ 4.05Å; V41-F49 HydrophobicContact CG2-CE1 4.41Å; V43-F49 HydrophobicContact CG1-CB 4.17Å; V43-F49 HydrophobicContact CG2-CB 3.64Å; V43-F49 HydrophobicContact CG2-CG 4.32Å; F49-I51 HydrophobicContact CD1-CG2 3.82Å; F49-I51 HydrophobicContact CE1-CG2 3.28Å; F49-I51 HydrophobicContact CZ-CG2 4.06Å; F49-C60 WeakPolarHBondContact O-CA 3.48Å; F49-I61 HydrophobicContact CD1-CD1 4.47Å; F49-I61 PolarHBondContact N-O 3.15Å; F49-I61 PolarHBondContact O-N 2.63Å |
| 50 | T | 54.5 | Low | 51.8 | Low | 73 Ų | 73 | 85.7 Ų | 85.7 | 45% | 0.448 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118.6 | -178.5 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | L58 Q59 C60 | T50-L58 HydrophobicContact CG2-CB 4.37Å; T50-L58 HydrophobicContact CG2-CD2 4.11Å; T50-Q59 WeakPolarHBondContact CA-O 3.49Å; T50-C60 PolarHBondContact OG1-SG 3.12Å; T50-C60 VanDerWaalsContact OG1-SG 3.42Å |
| 51 | I | 54.5 | Low | 52.3 | Low | 32 Ų | 32 | 82.7 Ų | 82.7 | 16% | 0.164 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 149.9 | 172.5 | 60.8 | 174.5 | 0 | 0 | 0 | 110.7 | F49 L58 Q59 I61 M69 | F49-I51 HydrophobicContact CD1-CG2 3.82Å; F49-I51 HydrophobicContact CE1-CG2 3.28Å; F49-I51 HydrophobicContact CZ-CG2 4.06Å; I51-L58 WeakPolarHBondContact O-CA 3.47Å; I51-Q59 HydrophobicContact CG1-CB 4.01Å; I51-Q59 PolarHBondContact N-O 2.89Å; I51-Q59 PolarHBondContact O-N 2.89Å; I51-I61 HydrophobicContact CD1-CD1 4.28Å; I51-I61 HydrophobicContact CG1-CD1 4.47Å; I51-M69 HydrophobicContact CD1-CE 3.73Å; I51-M69 HydrophobicContact CD1-SD 4.31Å; I51-M69 HydrophobicContact CG2-CE 4.34Å; I51-M69 HydrophobicContact CG2-SD 4.29Å |
| 52 | R | 48.7 | Very low | 52.7 | Low | 187 Ų | 187 | 88.5 Ų | 88.5 | 71% | 0.706 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.1 | 168.8 | -163.3 | 178.3 | -169.2 | -170 | -0.5 | 109 | G56 T57 L58 | R52-G56 PolarHBondContact NE-O 2.85Å; R52-T57 CarbonylContact C-O 3.52Å; R52-T57 VanDerWaalsContact CA-O 3.28Å; R52-T57 WeakPolarHBondContact CA-O 3.17Å; R52-T57 WeakPolarHBondContact CG-O 3.49Å; R52-L58 HydrophobicContact CB-CD2 3.81Å; R52-L58 HydrophobicContact CG-CD2 3.84Å |
| 53 | A | 53.1 | Low | 53.4 | Low | 38 Ų | 38 | 82.8 Ų | 82.8 | 31% | 0.314 | 46% | 0.462 | S | S | . | . | trans | -75.4 | 165 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | D55 G56 T57 | A53-D55 WeakPolarHBondContact CB-OD1 3.49Å; A53-D55 PolarHBondContact O-N 3.25Å; A53-G56 WeakPolarHBondContact O-CA 3.33Å; A53-G56 PolarHBondContact O-N 2.88Å; A53-T57 PolarHBondContact N-O 3.5Å | ||
| 54 | E | 41.8 | Very low | 53.1 | Low | 197 Ų | 197 | 87.4 Ų | 87.4 | 92% | 0.921 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -21.3 | -178.9 | -65.4 | -169.2 | 137.4 | 0 | 0 | 113.4 | G56 | E54-G56 PolarHBondContact O-N 3.1Š|
| 55 | D | 48.8 | Very low | 53 | Low | 121 Ų | 121 | 85 Ų | 85 | 65% | 0.647 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -4.5 | 170.3 | 70.4 | 1.4 | 0 | 0 | 0 | 113.6 | A53 T57 | A53-D55 WeakPolarHBondContact CB-OD1 3.49Å; A53-D55 PolarHBondContact O-N 3.25Å; D55-T57 VanDerWaalsContact OD1-CB 3.29Å; D55-T57 WeakPolarHBondContact OD1-CB 3.31Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.48Å; D55-T57 PolarHBondContact OD1-N 2.69Å; D55-T57 PolarHBondContact OD1-OG1 2.75Å; D55-T57 PolarHBondContact OD2-OG1 2.73Å |
| 56 | G | 44.3 | Very low | 53.3 | Low | 28 Ų | 28 | 86.3 Ų | 86.3 | 29% | 0.289 | 48% | 0.481 | S | S | . | . | S | Bend | trans | 88.1 | -4.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R52 A53 E54 | R52-G56 PolarHBondContact NE-O 2.85Å; A53-G56 WeakPolarHBondContact O-CA 3.33Å; A53-G56 PolarHBondContact O-N 2.88Å; E54-G56 PolarHBondContact O-N 3.1Å |
| 57 | T | 49 | Very low | 53.6 | Low | 66 Ų | 66 | 84.3 Ų | 84.3 | 41% | 0.405 | 45% | 0.452 | S | S | . | . | trans | -69.4 | 152.9 | 176.9 | 63.9 | 0 | 0 | 0 | 0 | 112 | R52 A53 D55 | R52-T57 CarbonylContact C-O 3.52Å; R52-T57 VanDerWaalsContact CA-O 3.28Å; R52-T57 WeakPolarHBondContact CA-O 3.17Å; R52-T57 WeakPolarHBondContact CG-O 3.49Å; A53-T57 PolarHBondContact N-O 3.5Å; D55-T57 VanDerWaalsContact OD1-CB 3.29Å; D55-T57 WeakPolarHBondContact OD1-CB 3.31Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.48Å; D55-T57 PolarHBondContact OD1-N 2.69Å; D55-T57 PolarHBondContact OD1-OG1 2.75Å; D55-T57 PolarHBondContact OD2-OG1 2.73Å | ||
| 58 | L | 47.3 | Very low | 53.5 | Low | 121 Ų | 121 | 84.4 Ų | 84.4 | 63% | 0.634 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124.6 | 177.4 | -67.8 | 168.5 | 0 | 0 | 0 | 109.5 | T50 I51 R52 | T50-L58 HydrophobicContact CG2-CB 4.37Å; T50-L58 HydrophobicContact CG2-CD2 4.11Å; I51-L58 WeakPolarHBondContact O-CA 3.47Å; R52-L58 HydrophobicContact CB-CD2 3.81Å; R52-L58 HydrophobicContact CG-CD2 3.84Å |
| 59 | Q | 52.6 | Low | 53.6 | Low | 111 Ų | 111 | 84 Ų | 84 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.2 | 172.9 | -65.3 | -173.8 | -4.1 | 0 | 0 | 109.4 | T50 I51 | T50-Q59 WeakPolarHBondContact CA-O 3.49Å; I51-Q59 HydrophobicContact CG1-CB 4.01Å; I51-Q59 PolarHBondContact N-O 2.89Å; I51-Q59 PolarHBondContact O-N 2.89Å |
| 60 | C | 59.4 | Low | 53.1 | Low | 86 Ų | 86 | 87.9 Ų | 87.9 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.1 | 176.3 | -63.3 | 0 | 0 | 0 | 0 | 109.7 | T48 F49 T50 | T48-C60 HydrophobicContact CG2-CB 4.11Å; F49-C60 WeakPolarHBondContact O-CA 3.48Å; T50-C60 PolarHBondContact OG1-SG 3.12Å; T50-C60 VanDerWaalsContact OG1-SG 3.42Å |
| 61 | I | 59.8 | Low | 52.8 | Low | 28 Ų | 28 | 85.1 Ų | 85.1 | 14% | 0.144 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123 | 180 | -63.2 | 151.9 | 0 | 0 | 0 | 106.8 | V43 T48 F49 I51 A65 V67 | V43-I61 HydrophobicContact CG2-CG2 4.11Å; T48-I61 CarbonylContact C-O 3.59Å; T48-I61 WeakPolarHBondContact CA-O 3.37Å; F49-I61 HydrophobicContact CD1-CD1 4.47Å; F49-I61 PolarHBondContact N-O 3.15Å; F49-I61 PolarHBondContact O-N 2.63Å; I51-I61 HydrophobicContact CD1-CD1 4.28Å; I51-I61 HydrophobicContact CG1-CD1 4.47Å; I61-A65 HydrophobicContact CG2-CB 4.02Å; I61-V67 HydrophobicContact CD1-CB 4.5Å; I61-V67 HydrophobicContact CD1-CG1 4.35Å; I61-V67 HydrophobicContact CD1-CG2 4.07Å; I61-V67 HydrophobicContact CG1-CG2 4.48Å; I61-V67 HydrophobicContact CG2-CG2 3.87Å |
| 62 | Q | 60.8 | Low | 52.3 | Low | 150 Ų | 150 | 87.9 Ų | 87.9 | 70% | 0.701 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 137.1 | 176.5 | -61 | -168.2 | -53.8 | 0 | 0 | 109.9 | T48 | T48-Q62 HydrophobicContact CG2-CG 4.14Å |
| 63 | G | 64.8 | Low | 52.1 | Low | 17 Ų | 17 | 85 Ų | 85 | 18% | 0.175 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -84 | 160.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N44 E47 | N44-G63 WeakPolarHBondContact O-CA 3.23Å; E47-G63 PolarHBondContact O-N 2.84Å |
| 64 | P | 56.7 | Low | 52 | Low | 105 Ų | 105 | 84.8 Ų | 84.8 | 68% | 0.682 | 48% | 0.478 | S | S | * | . | S | Bend | cis | -79.5 | 126.2 | 5.7 | 29.3 | -32.4 | 0 | 0 | 0 | 113.4 | V43 P45 | V43-P64 WeakPolarHBondContact O-CA 3.36Å; P45-P64 HydrophobicContact CG-CB 4.08Å; P45-P64 HydrophobicContact CG-CG 4.32Å |
| 65 | A | 53.6 | Low | 52.4 | Low | 30 Ų | 30 | 78.7 Ų | 78.7 | 25% | 0.248 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 139.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | V43 I61 V67 | V43-A65 PolarHBondContact N-O 3.35Å; V43-A65 PolarHBondContact O-N 2.89Å; I61-A65 HydrophobicContact CG2-CB 4.02Å; A65-V67 HydrophobicContact CB-CG2 4.48Å |
| 66 | E | 56.8 | Low | 52.5 | Low | 128 Ų | 128 | 76 Ų | 76 | 60% | 0.598 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.6 | 162.2 | -70.3 | -173.1 | 172.8 | 0 | 0 | 108.6 | V41 Q42 | V41-E66 WeakPolarHBondContact O-CA 3.2Å; Q42-E66 HydrophobicContact CB-CG 4.45Å; Q42-E66 HydrophobicContact CG-CG 4.24Å |
| 67 | V | 55.7 | Low | 52.8 | Low | 38 Ų | 38 | 78.3 Ų | 78.3 | 23% | 0.23 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 115.1 | -179.5 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | V41 I61 A65 M69 | V41-V67 PolarHBondContact N-O 2.78Å; V41-V67 VanDerWaalsContact N-O 3.11Å; V41-V67 PolarHBondContact O-N 3.42Å; I61-V67 HydrophobicContact CD1-CB 4.5Å; I61-V67 HydrophobicContact CD1-CG1 4.35Å; I61-V67 HydrophobicContact CD1-CG2 4.07Å; I61-V67 HydrophobicContact CG1-CG2 4.48Å; I61-V67 HydrophobicContact CG2-CG2 3.87Å; A65-V67 HydrophobicContact CB-CG2 4.48Å; V67-M69 HydrophobicContact CG1-CG 4.29Å |
| 68 | P | 51.3 | Low | 52.8 | Low | 83 Ų | 83 | 80.7 Ų | 80.7 | 54% | 0.539 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 124.4 | 173.6 | 30.4 | -32.1 | 0 | 0 | 0 | 110.2 | V38 L40 | V38-P68 HydrophobicContact CG1-CB 3.87Å; L40-P68 HydrophobicContact CD2-CB 4.1Å |
| 69 | M | 53.9 | Low | 53.2 | Low | 66 Ų | 66 | 78.5 Ų | 78.5 | 33% | 0.325 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.5 | 176.8 | -63.2 | -170.5 | 71.9 | 0 | 0 | 110.8 | V38 F39 V41 I51 V67 | V38-M69 WeakPolarHBondContact CA-O 3.41Å; F39-M69 PolarHBondContact N-O 2.68Å; F39-M69 PolarHBondContact O-N 3Å; V41-M69 HydrophobicContact CG2-SD 4.35Å; I51-M69 HydrophobicContact CD1-CE 3.73Å; I51-M69 HydrophobicContact CD1-SD 4.31Å; I51-M69 HydrophobicContact CG2-CE 4.34Å; I51-M69 HydrophobicContact CG2-SD 4.29Å; V67-M69 HydrophobicContact CG1-CG 4.29Å |
| 70 | M | 47.6 | Very low | 53 | Low | 141 Ų | 141 | 81.6 Ų | 81.6 | 70% | 0.695 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.1 | -179.6 | -64.5 | 178.1 | 176.9 | 0 | 0 | 110.3 | V38 | V38-M70 HydrophobicContact CG2-CE 4.42Å; V38-M70 HydrophobicContact CG2-CG 4.33Å |
| 71 | S | 48.6 | Very low | 52.7 | Low | 15 Ų | 15 | 79.7 Ų | 79.7 | 11% | 0.105 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.8 | 170.3 | 177.7 | 0 | 0 | 0 | 0 | 110 | Q37 N73 S75 | Q37-S71 PolarHBondContact O-N 2.96Å; S71-N73 PolarHBondContact O-N 2.82Å; S71-S75 PolarHBondContact OG-O 2.96Å |
| 72 | P | 44.6 | Very low | 51.9 | Low | 89 Ų | 89 | 82 Ų | 82 | 58% | 0.578 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -16.6 | -177.3 | 29 | -34.8 | 0 | 0 | 0 | 113.7 | ||
| 73 | N | 43.8 | Very low | 50.9 | Low | 127 Ų | 127 | 81.3 Ų | 81.3 | 68% | 0.679 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 2.8 | -167.7 | -62.5 | -17 | 0 | 0 | 0 | 114 | S71 S75 | S71-N73 PolarHBondContact O-N 2.82Å; N73-S75 PolarHBondContact O-N 3.25Å |
| 74 | G | 50.5 | Low | 50 | Low | 33 Ų | 33 | 82.4 Ų | 82.4 | 34% | 0.34 | 49% | 0.493 | S | S | . | . | S | Bend | trans | 69.7 | -5.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 75 | S | 50.8 | Low | 50.1 | Low | 69 Ų | 69 | 82 Ų | 82 | 48% | 0.483 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -87.1 | 137 | 170.1 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | S71 N73 | S71-S75 PolarHBondContact OG-O 2.96Å; N73-S75 PolarHBondContact O-N 3.25Å |
| 76 | I | 50.8 | Low | 50.4 | Low | 65 Ų | 65 | 84.9 Ų | 84.9 | 33% | 0.333 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 129.2 | 168.7 | -55.3 | 175.6 | 0 | 0 | 0 | 107.9 | F39 I79 V89 | F39-I76 HydrophobicContact CE1-CD1 4.42Å; F39-I76 HydrophobicContact CE1-CG1 4.03Å; F39-I76 HydrophobicContact CZ-CG1 4.15Å; I76-I79 HydrophobicContact CG2-CD1 4.1Å; I76-I79 HydrophobicContact CG2-CG1 4.47Å; I76-V89 HydrophobicContact CD1-CG1 4.42Å |
| 77 | P | 50.5 | Low | 50.6 | Low | 76 Ų | 76 | 81.6 Ų | 81.6 | 49% | 0.494 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 156.9 | 176.2 | 28 | -35 | 0 | 0 | 0 | 111.4 | I79 | P77-I79 PolarHBondContact O-N 3.46Š|
| 78 | P | 49.5 | Very low | 50.5 | Low | 117 Ų | 117 | 85.7 Ų | 85.7 | 76% | 0.76 | 50% | 0.497 | S | S | * | . | trans | -66.2 | 104 | -177.6 | 26.4 | -34.2 | 0 | 0 | 0 | 111.9 | H80 | P78-H80 PolarHBondContact O-N 2.82Š| ||
| 79 | I | 54.4 | Low | 51 | Low | 74 Ų | 74 | 85.5 Ų | 85.5 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | trans | -77.4 | 107.9 | 178.8 | -58.8 | 177.1 | 0 | 0 | 0 | 109.1 | I76 P77 V81 V99 | I76-I79 HydrophobicContact CG2-CD1 4.1Å; I76-I79 HydrophobicContact CG2-CG1 4.47Å; P77-I79 PolarHBondContact O-N 3.46Å; I79-V81 HydrophobicContact CG2-CG2 4.17Å; I79-V81 PolarHBondContact O-N 2.97Å; I79-V99 HydrophobicContact CD1-CB 4.27Å; I79-V99 HydrophobicContact CD1-CG1 3.82Å; I79-V99 HydrophobicContact CD1-CG2 4.04Å | ||
| 80 | H | 50.1 | Low | 51.2 | Low | 176 Ų | 176 | 85.8 Ų | 85.8 | 82% | 0.815 | 50% | 0.496 | S | S | * | . | trans | -78.4 | 96.2 | 172.4 | -81.9 | -82.2 | 0 | 0 | 0 | 110.5 | P78 | P78-H80 PolarHBondContact O-N 2.82Š| ||
| 81 | V | 52.4 | Low | 51.6 | Low | 46 Ų | 46 | 84 Ų | 84 | 28% | 0.279 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -75 | 134.1 | 175.2 | -172 | 0 | 0 | 0 | 0 | 110.1 | I79 Y85 V101 | I79-V81 HydrophobicContact CG2-CG2 4.17Å; I79-V81 PolarHBondContact O-N 2.97Å; V81-Y85 VanDerWaalsContact CG1-O 3.28Å; V81-Y85 WeakPolarHBondContact CG1-O 3.37Å; V81-V101 HydrophobicContact CG1-CG1 4.13Å |
| 82 | P | 42.7 | Very low | 51.8 | Low | 77 Ų | 77 | 84.7 Ų | 84.7 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 153.1 | 175.1 | -23.6 | 34.8 | 0 | 0 | 0 | 113.2 | G84 Y85 | P82-G84 PolarHBondContact O-N 3.25Å; P82-Y85 HydrophobicContact CB-CD2 4.39Å; P82-Y85 PolarHBondContact O-N 2.87Å |
| 83 | P | 40.4 | Very low | 51.7 | Low | 136 Ų | 136 | 89 Ų | 89 | 88% | 0.883 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 130.4 | 172.5 | -23.2 | 33.8 | 0 | 0 | 0 | 111.6 | ||
| 84 | G | 46.1 | Very low | 51.6 | Low | 39 Ų | 39 | 88.6 Ų | 88.6 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 11.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P82 Q104 | P82-G84 PolarHBondContact O-N 3.25Å; G84-Q104 WeakPolarHBondContact O-CB 3.45Å; G84-Q104 PolarHBondContact O-N 3Å |
| 85 | Y | 58.9 | Low | 51.3 | Low | 97 Ų | 97 | 89 Ų | 89 | 38% | 0.38 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 155.6 | 169.2 | -73.4 | -106.7 | 0 | 0 | 0 | 110.4 | V81 P82 V101 T102 P103 | V81-Y85 VanDerWaalsContact CG1-O 3.28Å; V81-Y85 WeakPolarHBondContact CG1-O 3.37Å; P82-Y85 HydrophobicContact CB-CD2 4.39Å; P82-Y85 PolarHBondContact O-N 2.87Å; Y85-V101 HydrophobicContact CD1-CG1 4.02Å; Y85-V101 HydrophobicContact CG-CG1 4.42Å; Y85-T102 CarbonylContact C-O 3.54Å; Y85-T102 VanDerWaalsContact CA-O 3.26Å; Y85-T102 WeakPolarHBondContact CA-O 3.42Å; Y85-P103 HydrophobicContact CD1-CB 4.03Å; Y85-P103 HydrophobicContact CE1-CB 3.7Å; Y85-P103 HydrophobicContact CE1-CG 4.31Å |
| 86 | I | 58.6 | Low | 51.4 | Low | 90 Ų | 90 | 88.7 Ų | 88.7 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.9 | 172.2 | 63.3 | 175.6 | 0 | 0 | 0 | 110.6 | V101 T102 | I86-V101 CarbonylContact O-C 3.57Å; I86-V101 WeakPolarHBondContact O-CA 3.45Å; I86-T102 WeakPolarHBondContact CG1-OG1 3.47Å; I86-T102 PolarHBondContact N-O 3.26Å; I86-T102 PolarHBondContact O-N 3.08Å |
| 87 | S | 61.3 | Low | 51.6 | Low | 59 Ų | 59 | 90.5 Ų | 90.5 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.8 | 175.6 | 60.1 | 0 | 0 | 0 | 0 | 111.5 | V100 | S87-V100 CarbonylContact C-O 3.56Å; S87-V100 WeakPolarHBondContact CA-O 3.19Å |
| 88 | Q | 52.9 | Low | 52 | Low | 125 Ų | 125 | 93.4 Ų | 93.4 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.2 | 173.5 | -174.6 | 172.7 | -9.3 | 0 | 0 | 110.1 | I90 V100 | Q88-I90 HydrophobicContact CG-CG1 4.1Å; Q88-V100 PolarHBondContact N-O 3.43Å; Q88-V100 PolarHBondContact O-N 2.83Å |
| 89 | V | 63.2 | Low | 52.4 | Low | 78 Ų | 78 | 89.5 Ų | 89.5 | 47% | 0.473 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 128 | 169.6 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | I76 R97 R98 V99 | I76-V89 HydrophobicContact CD1-CG1 4.42Å; V89-R97 HydrophobicContact CG1-CB 4.32Å; V89-R98 WeakPolarHBondContact CA-O 3.41Å; V89-V99 HydrophobicContact CG2-CG2 4.35Å |
| 90 | I | 57.1 | Low | 52.7 | Low | 73 Ų | 73 | 89.1 Ų | 89.1 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 119.6 | 178.7 | -54.7 | 179.1 | 0 | 0 | 0 | 107.2 | Q88 R98 V100 | Q88-I90 HydrophobicContact CG-CG1 4.1Å; I90-R98 PolarHBondContact N-O 2.87Å; I90-R98 PolarHBondContact O-N 2.84Å; I90-V100 HydrophobicContact CD1-CG2 3.91Å |
| 91 | E | 55.9 | Low | 53 | Low | 104 Ų | 104 | 83.5 Ų | 83.5 | 49% | 0.486 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.3 | 172 | -164.5 | 164.9 | 154.8 | 0 | 0 | 108 | R97 | E91-R97 HydrophobicContact CB-CG 4.14Å; E91-R97 HydrophobicContact CG-CG 3.88Å; E91-R97 IonicContact OE1-NH2 2.76Å; E91-R97 IonicContact OE2-CZ 3.04Å; E91-R97 IonicContact OE2-NE 2.88Å; E91-R97 PolarHBondContact OE2-NE 2.78Å; E91-R97 IonicContact OE2-NH2 2.75Å; E91-R97 PolarHBondContact OE2-NH2 2.79Å |
| 92 | D | 54.2 | Low | 53.1 | Low | 28 Ų | 28 | 84 Ų | 84 | 15% | 0.15 | 47% | 0.468 | C | S | . | . | trans | -86.6 | 172.4 | -178.3 | 66.7 | 32.3 | 0 | 0 | 0 | 113.1 | T94 G95 V96 R98 | D92-T94 PolarHBondContact O-N 2.92Å; D92-T94 WeakPolarHBondContact OD1-CA 3.36Å; D92-T94 WeakPolarHBondContact OD1-CB 3.39Å; D92-T94 PolarHBondContact OD1-N 2.72Å; D92-T94 PolarHBondContact OD1-OG1 2.93Å; D92-G95 PolarHBondContact O-N 3.46Å; D92-G95 PolarHBondContact OD1-N 2.92Å; D92-V96 PolarHBondContact N-O 2.73Å; D92-V96 PolarHBondContact OD1-N 3.01Å; D92-R98 IonicContact OD2-CZ 3.2Å; D92-R98 IonicContact OD2-NE 2.8Å; D92-R98 PolarHBondContact OD2-NE 2.96Å; D92-R98 IonicContact OD2-NH2 2.73Å; D92-R98 PolarHBondContact OD2-NH2 3.44Å | ||
| 93 | N | 41.8 | Very low | 53.5 | Low | 179 Ų | 179 | 84.4 Ų | 84.4 | 96% | 0.957 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -3.1 | -179.1 | -61.3 | -6 | 0 | 0 | 0 | 114 | ||
| 94 | T | 41.1 | Very low | 53.7 | Low | 120 Ų | 120 | 84 Ų | 84 | 74% | 0.736 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 4.5 | 172.9 | 49.4 | 0 | 0 | 0 | 0 | 113.5 | D92 | D92-T94 PolarHBondContact O-N 2.92Å; D92-T94 WeakPolarHBondContact OD1-CA 3.36Å; D92-T94 WeakPolarHBondContact OD1-CB 3.39Å; D92-T94 PolarHBondContact OD1-N 2.72Å; D92-T94 PolarHBondContact OD1-OG1 2.93Å |
| 95 | G | 44 | Very low | 53.4 | Low | 42 Ų | 42 | 87.3 Ų | 87.3 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | S | Bend | trans | 80.1 | 12.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D92 | D92-G95 PolarHBondContact O-N 3.46Å; D92-G95 PolarHBondContact OD1-N 2.92Å |
| 96 | V | 53.8 | Low | 52.8 | Low | 62 Ų | 62 | 88.3 Ų | 88.3 | 38% | 0.376 | 49% | 0.492 | S | S | . | . | trans | -88.8 | 125.7 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | D92 | D92-V96 PolarHBondContact N-O 2.73Å; D92-V96 PolarHBondContact OD1-N 3.01Å | ||
| 97 | R | 53.8 | Low | 51.6 | Low | 103 Ų | 103 | 93.1 Ų | 93.1 | 39% | 0.389 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.2 | 177.1 | -71.5 | 179.5 | 174.7 | 154.2 | 9.8 | 110.5 | F39 V89 E91 | F39-R97 HydrophobicContact CD1-CB 4.37Å; F39-R97 HydrophobicContact CE1-CB 4.04Å; V89-R97 HydrophobicContact CG1-CB 4.32Å; E91-R97 HydrophobicContact CB-CG 4.14Å; E91-R97 HydrophobicContact CG-CG 3.88Å; E91-R97 IonicContact OE1-NH2 2.76Å; E91-R97 IonicContact OE2-CZ 3.04Å; E91-R97 IonicContact OE2-NE 2.88Å; E91-R97 PolarHBondContact OE2-NE 2.78Å; E91-R97 IonicContact OE2-NH2 2.75Å; E91-R97 PolarHBondContact OE2-NH2 2.79Å |
| 98 | R | 59.9 | Low | 50 | Low | 137 Ų | 137 | 95.1 Ų | 95.1 | 52% | 0.517 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 143.8 | 177.4 | -50 | 179.5 | -171.6 | -156.4 | -0.3 | 108.3 | V89 I90 D92 | V89-R98 WeakPolarHBondContact CA-O 3.41Å; I90-R98 PolarHBondContact N-O 2.87Å; I90-R98 PolarHBondContact O-N 2.84Å; D92-R98 IonicContact OD2-CZ 3.2Å; D92-R98 IonicContact OD2-NE 2.8Å; D92-R98 PolarHBondContact OD2-NE 2.96Å; D92-R98 IonicContact OD2-NH2 2.73Å; D92-R98 PolarHBondContact OD2-NH2 3.44Å |
| 99 | V | 58.6 | Low | 48.7 | Very low | 34 Ų | 34 | 100.2 Ų | 100.2 | 21% | 0.206 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.7 | 172.9 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | I79 V89 | I79-V99 HydrophobicContact CD1-CB 4.27Å; I79-V99 HydrophobicContact CD1-CG1 3.82Å; I79-V99 HydrophobicContact CD1-CG2 4.04Å; V89-V99 HydrophobicContact CG2-CG2 4.35Å |
| 100 | V | 60.3 | Low | 47.3 | Very low | 66 Ų | 66 | 101.7 Ų | 101.7 | 40% | 0.4 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.6 | 177.2 | -172.2 | 0 | 0 | 0 | 0 | 108 | S87 Q88 I90 T102 | S87-V100 CarbonylContact C-O 3.56Å; S87-V100 WeakPolarHBondContact CA-O 3.19Å; Q88-V100 PolarHBondContact N-O 3.43Å; Q88-V100 PolarHBondContact O-N 2.83Å; I90-V100 HydrophobicContact CD1-CG2 3.91Å; V100-T102 HydrophobicContact CG1-CG2 4.08Å |
| 101 | V | 56.1 | Low | 46.2 | Very low | 58 Ų | 58 | 104.5 Ų | 104.5 | 35% | 0.352 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.5 | 175.9 | -176 | 0 | 0 | 0 | 0 | 107.9 | V81 Y85 I86 | V81-V101 HydrophobicContact CG1-CG1 4.13Å; Y85-V101 HydrophobicContact CD1-CG1 4.02Å; Y85-V101 HydrophobicContact CG-CG1 4.42Å; I86-V101 CarbonylContact O-C 3.57Å; I86-V101 WeakPolarHBondContact O-CA 3.45Å |
| 102 | T | 55.1 | Low | 45.1 | Very low | 57 Ų | 57 | 104.8 Ų | 104.8 | 35% | 0.35 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.9 | 142.8 | -174.9 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | Y85 I86 V100 | Y85-T102 CarbonylContact C-O 3.54Å; Y85-T102 VanDerWaalsContact CA-O 3.26Å; Y85-T102 WeakPolarHBondContact CA-O 3.42Å; I86-T102 WeakPolarHBondContact CG1-OG1 3.47Å; I86-T102 PolarHBondContact N-O 3.26Å; I86-T102 PolarHBondContact O-N 3.08Å; V100-T102 HydrophobicContact CG1-CG2 4.08Å |
| 103 | P | 49.7 | Very low | 44.1 | Very low | 86 Ų | 86 | 114.1 Ų | 114.1 | 56% | 0.558 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.5 | 141.5 | 176 | 28.1 | -33.7 | 0 | 0 | 0 | 111 | Y85 S105 | Y85-P103 HydrophobicContact CD1-CB 4.03Å; Y85-P103 HydrophobicContact CE1-CB 3.7Å; Y85-P103 HydrophobicContact CE1-CG 4.31Å; P103-S105 PolarHBondContact O-N 2.92Å |
| 104 | Q | 44.9 | Very low | 44 | Very low | 126 Ų | 126 | 111.5 Ų | 111.5 | 59% | 0.589 | 62% | 0.616 | S | S | * | * | trans | -90.1 | 98.8 | -178.9 | -168 | 175 | 25.4 | 0 | 0 | 109.8 | G84 | G84-Q104 WeakPolarHBondContact O-CB 3.45Å; G84-Q104 PolarHBondContact O-N 3Å | ||
| 105 | S | 39.7 | Very low | 43.5 | Very low | 110 Ų | 110 | 111 Ų | 111 | 77% | 0.769 | 62% | 0.617 | S | S | * | * | trans | -70.7 | 139 | -179.2 | 47.1 | 0 | 0 | 0 | 0 | 112.7 | P103 | P103-S105 PolarHBondContact O-N 2.92Š| ||
| 106 | P | 46 | Very low | 42.9 | Very low | 118 Ų | 118 | 113.5 Ų | 113.5 | 77% | 0.766 | 63% | 0.634 | S | S | * | * | trans | -94.4 | 126.3 | 174.9 | 34.2 | -30.4 | 0 | 0 | 0 | 111.9 | ||||
| 107 | E | 33.9 | Very low | 41.9 | Very low | 191 Ų | 191 | 118.3 Ų | 118.3 | 89% | 0.893 | 66% | 0.656 | S | S | * | * | trans | 167 | 152.5 | 156.7 | -101.2 | -178.9 | -142.2 | 0 | 0 | 109 | ||||
| 108 | C | 27.8 | Very low | 40.6 | Very low | 101 Ų | 101 | 118.5 Ų | 118.5 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | cis | -158.4 | 151.3 | -18.2 | -149.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 109 | Y | 25 | Very low | 40 | Very low | 231 Ų | 231 | 117 Ų | 117 | 91% | 0.906 | 68% | 0.681 | S | S | * | * | trans | -154.1 | 158.7 | 160.1 | -93 | -58.6 | 0 | 0 | 0 | 108.2 | ||||
| 110 | P | 34.3 | Very low | 38.7 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | -100.2 | 158.2 | -125.5 | 37.2 | -35.5 | 0 | 0 | 0 | 114.5 | |||||
| 111 | P | 35 | Very low | 37.3 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | -79 | 138.5 | 179 | 32.2 | -34.7 | 0 | 0 | 0 | 112.7 | ||||
| 112 | S | 31.9 | Very low | 36.1 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | -110 | 149 | 159.2 | 56.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 113 | Y | 34.2 | Very low | 35 | Very low | 225 Ų | 225 | 133.1 Ų | 133.1 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | -49.5 | 151.2 | -178.8 | -71.1 | -92.5 | 0 | 0 | 0 | 114.6 | ||||
| 114 | P | 39.2 | Very low | 35 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | -126.2 | 164.4 | 128.4 | 37.2 | -31.2 | 0 | 0 | 0 | 112.8 | |||||
| 115 | S | 29.7 | Very low | 35.8 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -127 | 141.8 | 172.4 | -72.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 116 | A | 32.1 | Very low | 35.5 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 78.8 | 156 | 150.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 117 | I | 32.4 | Very low | 34.8 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | trans | 88.9 | 121.2 | 163.1 | -47.2 | -171.5 | 0 | 0 | 0 | 117.6 | ||||
| 118 | S | 27.4 | Very low | 34.7 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -94.2 | -169 | -177.8 | -26.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 119 | P | 46.8 | Very low | 34.9 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | cis | -153.2 | 177.8 | 41.5 | 45.4 | -23.6 | 0 | 0 | 0 | 119.7 | ||||
| 120 | T | 31.7 | Very low | 35.1 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | 69.5 | 152.3 | 162 | 68.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 121 | H | 30.8 | Very low | 36.1 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | cis | -145.5 | 142.2 | 5.6 | -109.1 | -68.6 | 0 | 0 | 0 | 111.2 | ||||
| 122 | H | 31.3 | Very low | 35.9 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 70% | 0.704 | 74% | 0.739 | S | S | * | * | trans | 55 | 150.7 | 147.3 | -62.1 | -33.3 | 0 | 0 | 0 | 122.8 | ||||
| 123 | L | 31.5 | Very low | 35.9 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | cis | -164.5 | -176 | -25.6 | -111.3 | 179.7 | 0 | 0 | 0 | 107.9 | ||||
| 124 | P | 49.7 | Very low | 35.8 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | trans | -118.5 | -145.8 | -143 | 40.4 | -17.6 | 0 | 0 | 0 | 112.3 | ||||
| 125 | P | 61.8 | Low | 35.4 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 62% | 0.617 | 72% | 0.724 | S | S | * | * | cis | -146.7 | -173 | 6.4 | 27.9 | 1.3 | 0 | 0 | 0 | 120.6 | ||||
| 126 | Y | 32.7 | Very low | 35.3 | Very low | 206 Ų | 206 | 135.4 Ų | 135.4 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | trans | 88.4 | 144.7 | 159.3 | -66.7 | -60.5 | 0 | 0 | 0 | 118.9 | ||||
| 127 | L | 31.4 | Very low | 35.5 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | cis | -158.7 | 154.8 | -0.5 | -141.8 | 151.9 | 0 | 0 | 0 | 111.8 | ||||
| 128 | A | 31.8 | Very low | 35.5 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 63% | 0.628 | 72% | 0.715 | S | S | * | * | trans | 64.4 | 156.1 | 155 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 129 | H | 31.4 | Very low | 35.6 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 85% | 0.847 | 72% | 0.715 | S | S | * | * | cis | -150.7 | 160.7 | -9.9 | -116.6 | -59.4 | 0 | 0 | 0 | 110.5 | ||||
| 130 | H | 29.4 | Very low | 34.9 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 78% | 0.782 | 72% | 0.716 | S | S | * | * | trans | -140.1 | 158.6 | 176.6 | -123.4 | -48.8 | 0 | 0 | 0 | 109.7 | ||||
| 131 | P | 55.4 | Low | 34.8 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 56% | 0.558 | 72% | 0.72 | S | S | * | * | -140.4 | -152.4 | 92.5 | 44.1 | -30.9 | 0 | 0 | 0 | 110.7 | |||||
| 132 | H | 31.3 | Very low | 34.8 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | cis | -131.8 | 161 | -12.8 | -94.7 | -57.3 | 0 | 0 | 0 | 106.5 | ||||
| 133 | F | 31.2 | Very low | 36.1 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | cis | 81.3 | 135.7 | 37.6 | -81.5 | -94.4 | 0 | 0 | 0 | 117.3 | ||||
| 134 | I | 31.9 | Very low | 37.1 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 64% | 0.641 | 73% | 0.727 | S | S | * | * | cis | 179.1 | 155 | -41.8 | -104.9 | 163.6 | 0 | 0 | 0 | 110.1 | ||||
| 135 | H | 31.3 | Very low | 36.2 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | trans | 127.5 | 148.8 | 156.9 | -81.2 | -36.6 | 0 | 0 | 0 | 114.6 | ||||
| 136 | N | 28.2 | Very low | 34.8 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | cis | -152.7 | 178.2 | -9.9 | -129.7 | -6.6 | 0 | 0 | 0 | 111.5 | ||||
| 137 | S | 36.5 | Very low | 34.8 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | trans | -126.6 | 149 | 172.9 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 138 | H | 31.8 | Very low | 35.5 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | trans | -172.2 | 112.7 | 150.7 | -105 | -64.5 | 0 | 0 | 0 | 116.2 | ||||
| 139 | T | 30.5 | Very low | 35.5 | Very low | 121 Ų | 121 | 134 Ų | 134 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | trans | 25.6 | 116.1 | 138.7 | 51.3 | 0 | 0 | 0 | 0 | 125 | ||||
| 140 | A | 30.7 | Very low | 35.7 | Very low | 86 Ų | 86 | 133 Ų | 133 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | 67.5 | 130.6 | 121.5 | 0 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 141 | F | 30.3 | Very low | 35.7 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 79% | 0.789 | 75% | 0.751 | S | S | * | * | -178.4 | 143.3 | 115.5 | -104.9 | -63.8 | 0 | 0 | 0 | 116.5 | |||||
| 142 | Y | 31 | Very low | 35.8 | Very low | 204 Ų | 204 | 134.5 Ų | 134.5 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | 61.7 | 141.6 | 162.2 | -76.3 | -72.9 | 0 | 0 | 0 | 124.1 | ||||
| 143 | P | 57.8 | Low | 36.5 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -112.1 | -154.8 | 172.4 | 49.6 | -37 | 0 | 0 | 0 | 110.4 | ||||
| 144 | P | 52.1 | Low | 36.5 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | cis | -113.8 | -177.5 | 19.2 | 43.4 | -27.9 | 0 | 0 | 0 | 113.8 | ||||
| 145 | V | 31.8 | Very low | 36.5 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | -157.9 | 141.4 | 79 | 161.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 146 | T | 33.2 | Very low | 36.6 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -8.3 | 131.1 | 170.7 | 58 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 147 | G | 32.7 | Very low | 37.6 | Very low | 67 Ų | 67 | 134.5 Ų | 134.5 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | -93.6 | -153.4 | 137 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 148 | P | 46.3 | Very low | 37.4 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 92% | 0.922 | 77% | 0.771 | S | S | * | * | cis | -109.7 | -138 | 1.4 | 45.1 | -33 | 0 | 0 | 0 | 109.9 | ||||
| 149 | G | 30.3 | Very low | 37.5 | Very low | 64 Ų | 64 | 134.8 Ų | 134.8 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | cis | 170.4 | 175.2 | 2.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 150 | D | 35.1 | Very low | 37.5 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | trans | -73.1 | 154.1 | 179.5 | -54 | -86.1 | 0 | 0 | 0 | 115 | ||||
| 151 | M | 30.1 | Very low | 37.5 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | trans | 175.4 | 159.7 | 135.8 | -89.8 | -101 | -84.8 | 0 | 0 | 113.2 | ||||
| 152 | P | 57.7 | Low | 38.6 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | -89.5 | -168.4 | 177.5 | 41.9 | -38.9 | 0 | 0 | 0 | 111.4 | ||||
| 153 | P | 47 | Very low | 39.4 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | cis | -142.9 | -173.9 | 8 | 45.2 | -25.5 | 0 | 0 | 0 | 117.5 | ||||
| 154 | Q | 31.1 | Very low | 38.2 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 44.3 | 126.8 | 144.5 | -81.2 | -172.2 | 3.5 | 0 | 0 | 124.2 | ||||
| 155 | F | 30.2 | Very low | 37.2 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | trans | 78.1 | 146.9 | 147.3 | -85 | -84.2 | 0 | 0 | 0 | 122.6 | ||||
| 156 | F | 35 | Very low | 37.2 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | trans | -63.2 | 166.3 | -178.9 | -82.6 | -76.1 | 0 | 0 | 0 | 115.2 | ||||
| 157 | P | 48.6 | Very low | 36.9 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | cis | -157.9 | 168.8 | 47.6 | 44.4 | -22.7 | 0 | 0 | 0 | 122.4 | ||||
| 158 | Q | 32 | Very low | 37 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 58.3 | 154.8 | 142.2 | -74.7 | 171.7 | -10 | 0 | 0 | 121 | ||||
| 159 | H | 33.4 | Very low | 36.4 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 54% | 0.537 | 76% | 0.759 | S | S | . | * | cis | -154.4 | -174 | 1.6 | -130.5 | -18.3 | 0 | 0 | 0 | 109.2 | L161 | H159-L161 VanDerWaalsContact CE1-CD1 3.45Å; H159-L161 WeakPolarHBondContact CE1-CD1 3.03Å | ||
| 160 | H | 30.9 | Very low | 36.5 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | cis | -133.1 | -174.6 | 9.2 | -73.2 | -75.1 | 0 | 0 | 0 | 108.8 | ||||
| 161 | L | 30.2 | Very low | 36.1 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | cis | 76.5 | 149.8 | 16.6 | -55.8 | 179.8 | 0 | 0 | 0 | 117.3 | H159 | H159-L161 VanDerWaalsContact CE1-CD1 3.45Å; H159-L161 WeakPolarHBondContact CE1-CD1 3.03Å | ||
| 162 | P | 54.5 | Low | 36.1 | Very low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | cis | -130.3 | -154.5 | -25.4 | 42 | -23.6 | 0 | 0 | 0 | 111.2 | ||||
| 163 | P | 47.4 | Very low | 35.8 | Very low | 108 Ų | 108 | 146 Ų | 146 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | cis | -119 | 162.6 | -18 | 36.4 | -18.7 | 0 | 0 | 0 | 113.9 | ||||
| 164 | T | 32.4 | Very low | 34.8 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | 69.4 | 120.8 | 62.3 | -21.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 165 | I | 31.3 | Very low | 34.9 | Very low | 145 Ų | 145 | 150.8 Ų | 150.8 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | -179.6 | 150.1 | 87.3 | -92.8 | 178.2 | 0 | 0 | 0 | 113.5 | |||||
| 166 | Y | 31.6 | Very low | 34.8 | Very low | 224 Ų | 224 | 144.9 Ų | 144.9 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | trans | 11.2 | 153.6 | 156.2 | -71.9 | -108.2 | 0 | 0 | 0 | 125.6 | ||||
| 167 | G | 27.7 | Very low | 34.5 | Very low | 76 Ų | 76 | 144.5 Ų | 144.5 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | -179.8 | 132.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 168 | E | 33.3 | Very low | 33.7 | Very low | 195 Ų | 195 | 144 Ų | 144 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | trans | -108.6 | -173.4 | -179.5 | -73.9 | -173.2 | 128.1 | 0 | 0 | 113.8 | ||||
| 169 | Q | 35.2 | Very low | 33.6 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | trans | -83.7 | 158.5 | -159.3 | -56.8 | 173 | -93.5 | 0 | 0 | 117.3 | ||||
| 170 | E | 32 | Very low | 33.5 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | 121.2 | 161.8 | 125.3 | -147.1 | 169.1 | -112.1 | 0 | 0 | 118.7 | |||||
| 171 | I | 27 | Very low | 33.4 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | trans | 96.5 | 135.1 | 170.1 | -54.3 | 177.4 | 0 | 0 | 0 | 116.6 | ||||
| 172 | I | 30.4 | Very low | 33.5 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -148.7 | 131.9 | -160.8 | -68.9 | 153.6 | 0 | 0 | 0 | 109.8 | ||||
| 173 | P | 51 | Low | 32.5 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | -158.6 | -179.7 | 124.3 | 39 | -19.1 | 0 | 0 | 0 | 117.6 | |||||
| 174 | L | 25.9 | Very low | 31.8 | Very low | 155 Ų | 155 | 150 Ų | 150 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | 85 | 144.7 | 159 | -57.6 | 163.4 | 0 | 0 | 0 | 120.6 | ||||
| 175 | Y | 32.9 | Very low | 31.7 | Very low | 223 Ų | 223 | 150 Ų | 150 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | cis | -170.8 | 153.8 | -40.9 | -138.3 | -93.2 | 0 | 0 | 0 | 112.1 | ||||
| 176 | G | 28.6 | Very low | 31.7 | Very low | 62 Ų | 62 | 149.2 Ų | 149.2 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | trans | 102.8 | 153.6 | 164 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 177 | M | 29.1 | Very low | 31.9 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | cis | -160 | 145.1 | 4.3 | -106.4 | -75.2 | -119.6 | 0 | 0 | 112.4 | ||||
| 178 | S | 31.2 | Very low | 32 | Very low | 95 Ų | 95 | 148.4 Ų | 148.4 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | trans | 40.8 | 155 | 157 | -123.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 179 | S | 29.2 | Very low | 32 | Very low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | cis | -151.4 | 147.2 | 10.4 | 50 | 0 | 0 | 0 | 0 | 110 | ||||
| 180 | Y | 31.9 | Very low | 32.5 | Very low | 206 Ų | 206 | 144.3 Ų | 144.3 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | 59.1 | 138.7 | 70 | -51.2 | -58.5 | 0 | 0 | 0 | 114.9 | |||||
| 181 | I | 29.3 | Very low | 32.5 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | cis | -139.2 | -128.9 | 9.7 | -162.2 | 159.1 | 0 | 0 | 0 | 115.1 | ||||
| 182 | T | 32.3 | Very low | 32.8 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | trans | -157.1 | 170.3 | -159.1 | 58.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 183 | R | 33.3 | Very low | 32.9 | Very low | 202 Ų | 202 | 142.9 Ų | 142.9 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | trans | 86.6 | 153 | 158 | -66.1 | -178 | 161 | -126.8 | -1.7 | 118 | ||||
| 184 | E | 31.8 | Very low | 32.2 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 64% | 0.64 | 72% | 0.72 | S | S | * | * | cis | -172.7 | 168.1 | -12.1 | -103.1 | 165.4 | 175 | 0 | 0 | 107.3 | ||||
| 185 | D | 30.1 | Very low | 32.4 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 64% | 0.642 | 72% | 0.715 | S | S | * | * | cis | -167.8 | 170.5 | -16.5 | -177 | 26.2 | 0 | 0 | 0 | 108.9 | ||||
| 186 | Q | 31.1 | Very low | 32.4 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 61% | 0.607 | 71% | 0.706 | S | S | * | * | trans | 68.6 | 148.9 | 165.5 | -77.5 | 160.6 | 63.4 | 0 | 0 | 117.5 | ||||
| 187 | Y | 37.1 | Very low | 32.6 | Very low | 205 Ų | 205 | 144.7 Ų | 144.7 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | cis | -161.7 | 173.1 | 8.8 | -124 | -22.5 | 0 | 0 | 0 | 109.1 | ||||
| 188 | S | 29.3 | Very low | 32.9 | Very low | 77 Ų | 77 | 147 Ų | 147 | 54% | 0.538 | 70% | 0.703 | S | S | . | * | cis | -163.2 | 172.8 | -4 | 73.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 189 | K | 34.1 | Very low | 32.9 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 82% | 0.817 | 71% | 0.705 | S | S | * | * | trans | 80 | 145.5 | 150.3 | -80.7 | 178.2 | -179.6 | 177.1 | 0 | 120.2 | ||||
| 190 | P | 44.6 | Very low | 33.1 | Very low | 101 Ų | 101 | 151.5 Ų | 151.5 | 66% | 0.656 | 71% | 0.706 | S | S | * | * | -153.1 | -169.1 | -112.7 | 46.9 | -26.6 | 0 | 0 | 0 | 118.7 | |||||
| 191 | Q | 32.4 | Very low | 33.1 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | trans | 77.2 | 115.2 | 152.7 | -75 | -169.4 | 27.3 | 0 | 0 | 117.6 | ||||
| 192 | H | 33.1 | Very low | 33.3 | Very low | 145 Ų | 145 | 150.3 Ų | 150.3 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | 94.5 | 147 | 74 | -82.2 | -176.3 | 0 | 0 | 0 | 111.9 | |||||
| 193 | K | 33.8 | Very low | 33.3 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | cis | -156.6 | 145.5 | -4.8 | -112.9 | -179.7 | 179.6 | 176.2 | 0 | 106.6 | ||||
| 194 | K | 34.4 | Very low | 33.1 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 78% | 0.778 | 71% | 0.705 | S | S | * | * | 53.4 | 140.2 | 90.8 | -78.1 | -172.8 | -176.2 | -177.6 | 0 | 114.3 | |||||
| 195 | L | 32 | Very low | 33 | Very low | 134 Ų | 134 | 153.8 Ų | 153.8 | 70% | 0.702 | 71% | 0.713 | S | S | * | * | cis | -163.8 | 145.3 | 33.9 | -107.1 | 134.3 | 0 | 0 | 0 | 114.2 | ||||
| 196 | K | 32.8 | Very low | 33.1 | Very low | 156 Ų | 156 | 154.6 Ų | 154.6 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | trans | 50.6 | 132 | 132.5 | -85.7 | -171 | 167.1 | -72.3 | 0 | 126.2 | ||||
| 197 | D | 32.8 | Very low | 32.9 | Very low | 116 Ų | 116 | 155.8 Ų | 155.8 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | 71.8 | 148.3 | 122.8 | -61.1 | -0 | 0 | 0 | 0 | 125.4 | |||||
| 198 | R | 33.5 | Very low | 32.6 | Very low | 229 Ų | 229 | 151.4 Ų | 151.4 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | 73.1 | 157.6 | 161.5 | -73.3 | -180 | 169.3 | 179.5 | -3.5 | 118.2 | ||||
| 199 | Q | 32.3 | Very low | 33.9 | Very low | 150 Ų | 150 | 153.5 Ų | 153.5 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | cis | -177.8 | 143 | -43.9 | -121.9 | -170.8 | -29.6 | 0 | 0 | 108.4 | ||||
| 200 | I | 32.9 | Very low | 34.4 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | 71.7 | 119.3 | 144.4 | -71.6 | 172 | 0 | 0 | 0 | 120.9 | ||||
| 201 | D | 33.1 | Very low | 33.8 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | trans | 86.1 | 149.4 | 142.7 | -124.3 | 3.8 | 0 | 0 | 0 | 126.2 | ||||
| 202 | R | 32 | Very low | 33.8 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | trans | 64.7 | 79.1 | 151.2 | -75.2 | 162.2 | -163 | -133.6 | -3.7 | 122.8 | ||||
| 203 | Q | 32.1 | Very low | 33.9 | Very low | 171 Ų | 171 | 148 Ų | 148 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | 20.6 | 110.9 | 104.5 | -168 | 175.5 | 17.2 | 0 | 0 | 119.3 | |||||
| 204 | N | 30.1 | Very low | 33.7 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | 170 | 150.4 | 118.6 | -101.1 | -56.3 | 0 | 0 | 0 | 117.7 | |||||
| 205 | R | 29.9 | Very low | 33.5 | Very low | 212 Ų | 212 | 149.3 Ų | 149.3 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | 72.7 | 117.3 | 151.5 | -72.6 | 175.2 | -174.7 | -126.9 | 0.9 | 122.8 | ||||
| 206 | L | 30.8 | Very low | 33.4 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | 54.2 | 109.7 | 124.8 | -62.5 | 165.7 | 0 | 0 | 0 | 120.5 | |||||
| 207 | N | 28.5 | Very low | 33.1 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | 179.6 | 167.8 | 95.9 | -94.6 | -29.2 | 0 | 0 | 0 | 114.1 | |||||
| 208 | S | 29.6 | Very low | 33 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -89.9 | 175.2 | -174.1 | -50.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 209 | P | 56.3 | Low | 32.8 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -90.5 | -175.2 | -152.3 | 39.8 | -40.5 | 0 | 0 | 0 | 115.3 | ||||
| 210 | P | 44.8 | Very low | 32.6 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | -146.3 | 170.5 | 103.6 | 40 | -25 | 0 | 0 | 0 | 118 | |||||
| 211 | S | 32.5 | Very low | 32.5 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -32.7 | 153.8 | 170.8 | 57.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 212 | S | 33.4 | Very low | 32.3 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | -178.1 | 121.2 | 102.5 | 62 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 213 | I | 33.8 | Very low | 32.2 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 54.7 | 122.8 | 126.4 | -51.6 | 165.8 | 0 | 0 | 0 | 121.7 | |||||
| 214 | Y | 30.3 | Very low | 32 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | -168.4 | 133.6 | 119 | -124.3 | -114.6 | 0 | 0 | 0 | 114.3 | |||||
| 215 | K | 29.6 | Very low | 31.9 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 21.3 | 152.8 | 153.5 | -56 | -176.7 | -172.5 | 177.8 | 0 | 121.6 | ||||
| 216 | S | 30.1 | Very low | 32 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | cis | -153.5 | -178.4 | 18.1 | 36 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 217 | H | 27.6 | Very low | 31.9 | Very low | 167 Ų | 167 | 132 Ų | 132 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -86.2 | 147.3 | -170.8 | -83.8 | -4.2 | 0 | 0 | 0 | 116.2 | ||||
| 218 | I | 30.5 | Very low | 31.9 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | 57.5 | 133.7 | 89.4 | -46.4 | 169 | 0 | 0 | 0 | 113.8 | |||||
| 219 | G | 29.7 | Very low | 32 | Very low | 69 Ų | 69 | 134.9 Ų | 134.9 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | cis | 128.7 | 149.1 | 1.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 220 | S | 27.6 | Very low | 30.7 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -162.3 | 137.1 | 176.7 | 58.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 221 | C | 30.2 | Very low | 29.9 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 89% | 0.892 | 78% | 0.782 | S | S | * | * | trans | -105.1 | 164.2 | 161.1 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 222 | T | 28.1 | Very low | 29.6 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -135.9 | 121.6 | 171.8 | -30.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 223 | T | 30.1 | Very low | 29.5 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -146 | 159.2 | 158.6 | -53.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 224 | V | 29.4 | Very low | 29.2 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -96.2 | 133.2 | -143.9 | 178.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 225 | Y | 26.7 | Very low | 29.2 | Very low | 198 Ų | 198 | 135.7 Ų | 135.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 79.3 | 107.4 | 158.4 | -89.9 | -138.7 | 0 | 0 | 0 | 122.1 | ||||
| 226 | N | 32 | Very low | 29.1 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | 51.7 | 131.1 | 115.3 | -59.2 | -23.8 | 0 | 0 | 0 | 121.1 | |||||
| 227 | G | 28.3 | Very low | 29.1 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | cis | 168.5 | -166.2 | -1.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 228 | Y | 29.9 | Very low | 29.2 | Very low | 233 Ų | 233 | 129 Ų | 129 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | 76.3 | 90.4 | 173.5 | -76.2 | -81.5 | 0 | 0 | 0 | 121 | ||||
| 229 | A | 30.6 | Very low | 29.2 | Very low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | 74.6 | 130 | 124.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 230 | K | 29.5 | Very low | 29.2 | Very low | 208 Ų | 208 | 126.5 Ų | 126.5 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | trans | -86.1 | 159.3 | 163.8 | -62.4 | 175.7 | 176.7 | 176.5 | 0 | 111.1 | ||||
| 231 | S | 27.5 | Very low | 29.4 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | -151.4 | 142.6 | 120.7 | 94.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 232 | H | 27.7 | Very low | 29.4 | Very low | 158 Ų | 158 | 122.9 Ų | 122.9 | 73% | 0.731 | 81% | 0.814 | S | S | * | * | trans | 61.4 | 133.4 | 163.3 | -75.3 | -69.2 | 0 | 0 | 0 | 123.9 | ||||
| 233 | N | 29.3 | Very low | 29.5 | Very low | 146 Ų | 146 | 121 Ų | 121 | 78% | 0.781 | 82% | 0.82 | S | S | * | * | trans | 46 | 122.3 | 139.7 | -50.3 | 0.9 | 0 | 0 | 0 | 118.5 | ||||
| 234 | G | 28 | Very low | 29.5 | Very low | 73 Ų | 73 | 118.1 Ų | 118.1 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | cis | 122.7 | 167.4 | 39.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 235 | A | 30.2 | Very low | 29.5 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 93% | 0.934 | 83% | 0.827 | S | S | * | * | trans | 68.7 | 126.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 236 | S | 27.9 | Very low | 29.7 | Very low | 109 Ų | 109 | 111 Ų | 111 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | trans | -110.9 | 175.2 | 163 | 56.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 237 | S | 30.1 | Very low | 29.6 | Very low | 128 Ų | 128 | 108.7 Ų | 108.7 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | trans | 70.2 | 148.2 | -178.3 | 79.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 238 | G | 30.3 | Very low | 30.8 | Very low | 75 Ų | 75 | 111.4 Ų | 111.4 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | cis | 163.8 | 141.6 | -12.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 239 | G | 29.8 | Very low | 30.9 | Very low | 85 Ų | 85 | 104 Ų | 104 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | trans | 79.5 | 162.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 240 | G | 30.4 | Very low | 30.9 | Very low | 81 Ų | 81 | 104.4 Ų | 104.4 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | 99.1 | 85.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 241 | G | 30.6 | Very low | 30.8 | Very low | 92 Ų | 92 | 103.6 Ų | 103.6 | 95% | 0.948 | 82% | 0.819 | S | S | * | * | trans | -70.2 | -174.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 242 | G | 30.6 | Very low | 30.8 | Very low | 83 Ų | 83 | 107.4 Ų | 107.4 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | trans | 149.9 | 111.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 243 | G | 29.9 | Very low | 31.5 | Very low | 89 Ų | 89 | 104.8 Ų | 104.8 | 92% | 0.918 | 82% | 0.819 | S | S | * | * | trans | -81.5 | 155.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 244 | G | 31.1 | Very low | 31.4 | Very low | 84 Ų | 84 | 104.3 Ų | 104.3 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 180 | 114.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 245 | G | 30.1 | Very low | 31.4 | Very low | 87 Ų | 87 | 110.4 Ų | 110.4 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -95.2 | 169.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 246 | G | 30.1 | Very low | 31.8 | Very low | 84 Ų | 84 | 114.9 Ų | 114.9 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | 135.3 | 44 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 247 | A | 30.1 | Very low | 31.8 | Very low | 88 Ų | 88 | 114.7 Ų | 114.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -79.3 | 179.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 248 | P | 53.7 | Low | 32.2 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | cis | -130.9 | -179.3 | -18.5 | 35.3 | -17.1 | 0 | 0 | 0 | 113.7 | V250 | P248-V250 HydrophobicContact CB-CG2 4.27Š| ||
| 249 | G | 31.2 | Very low | 32.1 | Very low | 76 Ų | 76 | 121.1 Ų | 121.1 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | 157.1 | 102.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 250 | V | 31.5 | Very low | 32.3 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 64% | 0.642 | 80% | 0.803 | S | S | * | * | cis | 114.9 | 109.3 | 13 | 174.2 | 0 | 0 | 0 | 0 | 112 | P248 | P248-V250 HydrophobicContact CB-CG2 4.27Š| ||
| 251 | K | 27.7 | Very low | 32.8 | Very low | 192 Ų | 192 | 124.2 Ų | 124.2 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 68.9 | 153.4 | 168.5 | -62.2 | 162.9 | -169.5 | 171.5 | 0 | 114.3 | ||||
| 252 | K | 25.8 | Very low | 32.9 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | cis | -169.5 | -179 | -7.4 | -114.2 | -172.7 | 175.2 | -172.3 | 0 | 106.1 | ||||
| 253 | P | 44.1 | Very low | 33 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | cis | -130.5 | -163.5 | -44.9 | 34.1 | -13.2 | 0 | 0 | 0 | 112.2 | ||||
| 254 | E | 26 | Very low | 33.1 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 64% | 0.64 | 80% | 0.796 | S | S | * | * | trans | 76.4 | 130.2 | 152.4 | -70.9 | -143.5 | 132.4 | 0 | 0 | 123.4 | ||||
| 255 | R | 28.1 | Very low | 33.3 | Very low | 200 Ų | 200 | 139.9 Ų | 139.9 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 56.5 | 148.3 | 132.9 | -64.5 | -176.4 | -165.1 | -163.4 | 12.3 | 121 | ||||
| 256 | R | 39.4 | Very low | 33.5 | Very low | 208 Ų | 208 | 144.7 Ų | 144.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | cis | -174.1 | 130 | -17.9 | 178 | -170.9 | -155.1 | -172.5 | 9.9 | 106 | ||||
| 257 | A | 28.3 | Very low | 34 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -134.5 | 122.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 258 | R | 37.2 | Very low | 34.7 | Very low | 215 Ų | 215 | 149 Ų | 149 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -100.1 | 146.8 | 158.8 | -80.2 | -178.3 | 169.8 | 178 | -4.6 | 107.5 | ||||
| 259 | S | 29.1 | Very low | 34.7 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -105.7 | 122.8 | 159 | 52.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 260 | S | 33.1 | Very low | 35.5 | Very low | 102 Ų | 102 | 157.7 Ų | 157.7 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -107 | 142.7 | 170.3 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 261 | P | 40.6 | Very low | 36.6 | Very low | 129 Ų | 129 | 161.6 Ų | 161.6 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -73.1 | 163.9 | 160.6 | -11.2 | 28.4 | 0 | 0 | 0 | 111.4 | ||||
| 262 | K | 34.2 | Very low | 38.3 | Very low | 208 Ų | 208 | 158.8 Ų | 158.8 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | -103.2 | 166.5 | 174.1 | -63.5 | -176.1 | 177.1 | -173.5 | 0 | 111.6 | ||||
| 263 | S | 31.1 | Very low | 40.2 | Very low | 115 Ų | 115 | 154.9 Ų | 154.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -125.4 | 156.4 | 156.7 | 52 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 264 | N | 33.1 | Very low | 41.3 | Very low | 161 Ų | 161 | 157.2 Ų | 157.2 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -85.2 | 157.2 | -172.7 | -70.2 | 0.8 | 0 | 0 | 0 | 113.8 | ||||
| 265 | E | 35.8 | Very low | 43.4 | Very low | 193 Ų | 193 | 153.1 Ų | 153.1 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -106.4 | 178.7 | 156.8 | -68.8 | 177.7 | 122.8 | 0 | 0 | 109.6 | ||||
| 266 | Q | 33.6 | Very low | 45.7 | Very low | 189 Ų | 189 | 150 Ų | 150 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -111.6 | 158.8 | -175.6 | -63.4 | 178.2 | -82.3 | 0 | 0 | 112.2 | ||||
| 267 | D | 39.5 | Very low | 47.4 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -66 | 131.9 | -164 | -67.1 | -69.5 | 0 | 0 | 0 | 116.6 | ||||
| 268 | P | 45.8 | Very low | 49.5 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | trans | -116.2 | 129.4 | 166 | 36.2 | -23.8 | 0 | 0 | 0 | 112.5 | ||||
| 269 | H | 53.7 | Low | 51.4 | Low | 194 Ų | 194 | 139.1 Ų | 139.1 | 90% | 0.898 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -110.6 | 10.2 | -178.2 | -106.9 | -55.8 | 0 | 0 | 0 | 116 | ||
| 270 | E | 49 | Very low | 53.7 | Low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -117.1 | 0.6 | -172.4 | -155.8 | 164.1 | -150.7 | 0 | 0 | 114.5 | ||
| 271 | Y | 54.6 | Low | 55.7 | Low | 188 Ų | 188 | 136.7 Ų | 136.7 | 74% | 0.737 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -97.8 | -22.1 | -167.8 | -154.2 | -94.8 | 0 | 0 | 0 | 116 | S273 | Y271-S273 PolarHBondContact O-N 2.97Š|
| 272 | D | 62.8 | Low | 57.5 | Low | 133 Ų | 133 | 130.7 Ų | 130.7 | 71% | 0.711 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75 | -21.7 | -162.1 | -169 | 53.8 | 0 | 0 | 0 | 115.3 | ||
| 273 | S | 65.4 | Low | 59.7 | Low | 101 Ų | 101 | 122.7 Ų | 122.7 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.4 | -34.2 | -171 | 58 | 0 | 0 | 0 | 0 | 114.3 | Y271 | Y271-S273 PolarHBondContact O-N 2.97Å |
| 274 | E | 66.6 | Low | 61.8 | Low | 151 Ų | 151 | 118.9 Ų | 118.9 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -83.6 | -38 | -174 | -168.4 | 162.6 | -128.2 | 0 | 0 | 112.4 | K276 R277 V278 | E274-K276 PolarHBondContact O-N 3.11Å; E274-R277 PolarHBondContact O-N 3.23Å; E274-V278 PolarHBondContact O-N 2.88Å |
| 275 | T | 71.2 | Confident | 64.1 | Low | 51 Ų | 51 | 112 Ų | 112 | 31% | 0.313 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -57.1 | -39.2 | 178.3 | -43.8 | 0 | 0 | 0 | 0 | 112.1 | R277 V278 Q279 V370 | T275-R277 PolarHBondContact O-N 3.16Å; T275-V278 PolarHBondContact O-N 2.79Å; T275-Q279 PolarHBondContact O-N 3.05Å; T275-Q279 VanDerWaalsContact O-N 3.13Å; T275-V370 HydrophobicContact CG2-CG1 4.45Å; T275-V370 HydrophobicContact CG2-CG2 3.72Å |
| 276 | K | 75.5 | Confident | 66.2 | Low | 135 Ų | 135 | 108.8 Ų | 108.8 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | -177.9 | -162 | 168.4 | -171.8 | 169 | 0 | 112.8 | E274 V278 Q279 D280 | E274-K276 PolarHBondContact O-N 3.11Å; K276-V278 VanDerWaalsContact C-N 3.3Å; K276-V278 PolarHBondContact O-N 2.74Å; K276-Q279 PolarHBondContact O-N 2.9Å; K276-Q279 VanDerWaalsContact O-N 3.16Å; K276-D280 PolarHBondContact O-N 2.83Å; K276-D280 VanDerWaalsContact O-N 3.15Å |
| 277 | R | 74.7 | Confident | 68.5 | Low | 184 Ų | 184 | 105.6 Ų | 105.6 | 69% | 0.694 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -37.1 | 176.4 | -175.2 | -178.7 | 178 | -161.8 | -1.7 | 112.2 | E274 T275 I281 | E274-R277 PolarHBondContact O-N 3.23Å; T275-R277 PolarHBondContact O-N 3.16Å; R277-I281 WeakPolarHBondContact O-CG1 3.42Å |
| 278 | V | 72.8 | Confident | 70.7 | Confident | 25 Ų | 25 | 98 Ų | 98 | 15% | 0.152 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 175.4 | -179 | 0 | 0 | 0 | 0 | 110.7 | E274 T275 K276 D280 I281 L282 L318 Y367 V370 | E274-V278 PolarHBondContact O-N 2.88Å; T275-V278 PolarHBondContact O-N 2.79Å; K276-V278 VanDerWaalsContact C-N 3.3Å; K276-V278 PolarHBondContact O-N 2.74Å; V278-D280 PolarHBondContact O-N 3.25Å; V278-I281 PolarHBondContact O-N 2.85Å; V278-L282 HydrophobicContact CG1-CD1 4.08Å; V278-L282 HydrophobicContact CG1-CG 4.49Å; V278-L282 WeakPolarHBondContact O-CG 3.48Å; V278-L282 PolarHBondContact O-N 3.21Å; V278-L318 HydrophobicContact CG1-CD1 4.37Å; V278-L318 HydrophobicContact CG2-CD1 3.85Å; V278-Y367 HydrophobicContact CG1-CD1 4.17Å; V278-V370 HydrophobicContact CB-CG1 4.43Å; V278-V370 HydrophobicContact CG1-CB 4.15Å; V278-V370 HydrophobicContact CG1-CG1 4.26Å; V278-V370 HydrophobicContact CG1-CG2 4.33Å |
| 279 | Q | 77.7 | Confident | 72.6 | Confident | 90 Ų | 90 | 98.2 Ų | 98.2 | 42% | 0.421 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | -179.3 | -170.1 | 164.4 | 38.1 | 0 | 0 | 113.3 | T275 K276 L282 S283 V370 K371 | T275-Q279 PolarHBondContact O-N 3.05Å; T275-Q279 VanDerWaalsContact O-N 3.13Å; K276-Q279 PolarHBondContact O-N 2.9Å; K276-Q279 VanDerWaalsContact O-N 3.16Å; Q279-L282 PolarHBondContact O-N 2.88Å; Q279-S283 PolarHBondContact O-N 2.88Å; Q279-S283 PolarHBondContact O-OG 2.04Å; Q279-V370 HydrophobicContact CB-CG1 3.69Å; Q279-V370 HydrophobicContact CG-CG1 4.23Å; Q279-K371 PolarHBondContact NE2-O 2.78Å |
| 280 | D | 76.9 | Confident | 74.1 | Confident | 116 Ų | 116 | 90.3 Ų | 90.3 | 62% | 0.62 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 177 | -71.1 | -26.6 | 0 | 0 | 0 | 111.6 | K276 V278 L282 S283 | K276-D280 PolarHBondContact O-N 2.83Å; K276-D280 VanDerWaalsContact O-N 3.15Å; V278-D280 PolarHBondContact O-N 3.25Å; D280-L282 PolarHBondContact O-N 2.8Å; D280-S283 WeakPolarHBondContact O-CB 3.38Å; D280-S283 PolarHBondContact O-N 2.91Å |
| 281 | I | 75.6 | Confident | 75.8 | Confident | 58 Ų | 58 | 84.7 Ų | 84.7 | 30% | 0.297 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 178.1 | -69.3 | 170.2 | 0 | 0 | 0 | 111.6 | R277 V278 S283 P305 L308 | R277-I281 WeakPolarHBondContact O-CG1 3.42Å; V278-I281 PolarHBondContact O-N 2.85Å; I281-S283 PolarHBondContact O-N 2.99Å; I281-P305 WeakPolarHBondContact O-CB 3.49Å; I281-L308 HydrophobicContact CG2-CD1 4.42Å; I281-L308 HydrophobicContact CG2-CG 3.85Å |
| 282 | L | 78.6 | Confident | 77.2 | Confident | 2 Ų | 2 | 80.6 Ų | 80.6 | 1% | 0.01 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -68.5 | -19.9 | 178.7 | -65.9 | 170.6 | 0 | 0 | 0 | 113.5 | V278 Q279 D280 G284 L308 A365 V370 | V278-L282 HydrophobicContact CG1-CD1 4.08Å; V278-L282 HydrophobicContact CG1-CG 4.49Å; V278-L282 WeakPolarHBondContact O-CG 3.48Å; V278-L282 PolarHBondContact O-N 3.21Å; Q279-L282 PolarHBondContact O-N 2.88Å; D280-L282 PolarHBondContact O-N 2.8Å; L282-G284 VanDerWaalsContact C-N 3.34Å; L282-L308 HydrophobicContact CD2-CD1 4.25Å; L282-A365 HydrophobicContact CD2-CB 4.25Å; L282-V370 HydrophobicContact CD1-CB 4.13Å; L282-V370 HydrophobicContact CD1-CG1 4.12Å; L282-V370 VanDerWaalsContact CD1-O 3.29Å; L282-V370 WeakPolarHBondContact CD1-O 3.23Å |
| 283 | S | 79.7 | Confident | 78.3 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 29% | 0.287 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -14.1 | -176.4 | -61.8 | 0 | 0 | 0 | 0 | 113.6 | Q279 D280 I281 M285 G372 A373 | Q279-S283 PolarHBondContact O-N 2.88Å; Q279-S283 PolarHBondContact O-OG 2.04Å; D280-S283 WeakPolarHBondContact O-CB 3.38Å; D280-S283 PolarHBondContact O-N 2.91Å; I281-S283 PolarHBondContact O-N 2.99Å; S283-M285 VanDerWaalsContact C-N 3.33Å; S283-M285 PolarHBondContact O-N 2.79Å; S283-M285 VanDerWaalsContact O-N 3.13Å; S283-G372 WeakPolarHBondContact OG-CA 3.33Å; S283-A373 PolarHBondContact OG-N 2.83Å |
| 284 | G | 75.2 | Confident | 79.2 | Confident | 34 Ų | 34 | 76.4 Ų | 76.4 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | trans | -84.8 | 56.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L282 P305 T306 | L282-G284 VanDerWaalsContact C-N 3.34Å; G284-P305 CarbonylContact O-C 3.54Å; G284-P305 VanDerWaalsContact O-CA 3.24Å; G284-P305 WeakPolarHBondContact O-CA 3.26Å; G284-T306 PolarHBondContact O-N 2.94Å; G284-T306 PolarHBondContact O-OG1 2.89Å | ||
| 285 | M | 81.1 | Confident | 79.9 | Confident | 17 Ų | 17 | 70.3 Ų | 70.3 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 137.1 | 177.3 | -168.2 | -153.6 | -68.7 | 0 | 0 | 112.4 | S283 Y324 V363 A365 S375 | S283-M285 VanDerWaalsContact C-N 3.33Å; S283-M285 PolarHBondContact O-N 2.79Å; S283-M285 VanDerWaalsContact O-N 3.13Å; M285-Y324 HydrophobicContact CE-CD1 3.87Å; M285-Y324 HydrophobicContact CE-CE1 4.24Å; M285-V363 HydrophobicContact CE-CB 4.06Å; M285-V363 HydrophobicContact CE-CG1 3.95Å; M285-V363 HydrophobicContact SD-CB 3.7Å; M285-V363 HydrophobicContact SD-CG1 4.14Å; M285-A365 HydrophobicContact CE-CB 3.82Å; M285-S375 WeakPolarHBondContact O-CB 3.46Å |
| 286 | E | 81.1 | Confident | 80.5 | Confident | 125 Ų | 125 | 73 Ų | 73 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 163.3 | 172 | -60.8 | -168.7 | 143.5 | 0 | 0 | 113.2 | S375 | E286-S375 WeakPolarHBondContact O-CB 3.43Å; E286-S375 PolarHBondContact O-OG 2.83Å |
| 287 | K | 81.3 | Confident | 81 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 54% | 0.535 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 140.2 | 175.7 | 67.8 | -176 | -177.5 | 179.4 | 0 | 111.4 | E376 | K287-E376 HydrophobicContact CB-CB 4.22Å; K287-E376 WeakPolarHBondContact CB-O 3.31Å |
| 288 | P | 85.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 151.5 | 173.3 | 27.7 | -34.7 | 0 | 0 | 0 | 111.9 | T301 W302 V361 V363 V378 | P288-T301 CarbonylContact C-O 3.51Å; P288-T301 VanDerWaalsContact CA-O 3.27Å; P288-T301 WeakPolarHBondContact CA-O 3.25Å; P288-T301 WeakPolarHBondContact CB-O 3.47Å; P288-W302 HydrophobicContact CB-CB 4.26Å; P288-V361 HydrophobicContact CG-CG1 4.09Å; P288-V363 HydrophobicContact CB-CG2 4.01Å; P288-V363 HydrophobicContact CG-CG2 4.01Å; P288-V378 HydrophobicContact CB-CG1 4.48Å; P288-V378 HydrophobicContact CG-CB 4.36Å; P288-V378 HydrophobicContact CG-CG1 3.78Å; P288-V378 WeakPolarHBondContact O-CB 3.29Å |
| 289 | Q | 85 | Confident | 82.4 | Confident | 107 Ų | 107 | 60.1 Ų | 60.1 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 155.9 | 172.9 | -61.1 | -67.2 | -15.1 | 0 | 0 | 110.6 | L300 T301 | Q289-L300 WeakPolarHBondContact O-CA 3.4Å; Q289-T301 PolarHBondContact N-O 2.99Å; Q289-T301 PolarHBondContact O-N 2.83Å; Q289-T301 VanDerWaalsContact O-N 3.08Å |
| 290 | V | 85.6 | Confident | 83 | Confident | 29 Ų | 29 | 55.8 Ų | 55.8 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.3 | -177.9 | -170.3 | 0 | 0 | 0 | 0 | 109.4 | I293 V298 L300 V378 F380 | V290-I293 HydrophobicContact CG1-CD1 4.29Å; V290-I293 HydrophobicContact CG1-CG1 4.04Å; V290-V298 HydrophobicContact CG1-CG2 3.28Å; V290-L300 HydrophobicContact CB-CD2 4.46Å; V290-L300 HydrophobicContact CG1-CD2 4.17Å; V290-L300 HydrophobicContact CG2-CD2 3.89Å; V290-V378 HydrophobicContact CG2-CB 4.23Å; V290-V378 HydrophobicContact CG2-CG1 3.39Å; V290-V378 HydrophobicContact CG2-CG2 3.75Å; V290-F380 HydrophobicContact CG1-CB 3.9Å; V290-F380 HydrophobicContact CG1-CD1 3.84Å; V290-F380 HydrophobicContact CG1-CD2 4.41Å; V290-F380 HydrophobicContact CG1-CG 3.79Å; V290-F380 HydrophobicContact CG2-CD1 4.12Å |
| 291 | T | 84.5 | Confident | 83.5 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 42% | 0.423 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 166.6 | -179.3 | 63 | 0 | 0 | 0 | 0 | 111.6 | I293 V298 L299 | T291-I293 PolarHBondContact O-N 3.13Å; T291-V298 WeakPolarHBondContact O-CG2 3.21Å; T291-L299 PolarHBondContact N-O 2.79Å; T291-L299 PolarHBondContact O-N 3.15Å |
| 292 | N | 84.8 | Confident | 84.1 | Confident | 101 Ų | 101 | 50.3 Ų | 50.3 | 54% | 0.54 | 26% | 0.263 | S | S | . | . | trans | 50.4 | 50.5 | 176.8 | -163.9 | -0.4 | 0 | 0 | 0 | 113.3 | Q294 L299 | N292-Q294 PolarHBondContact OD1-NE2 2.86Å; N292-L299 HydrophobicContact CB-CB 4.47Å | ||
| 293 | I | 85.9 | Confident | 84.3 | Confident | 55 Ų | 55 | 51.9 Ų | 51.9 | 28% | 0.282 | 27% | 0.274 | S | S | . | . | trans | -70.7 | 128.8 | 176.9 | -57 | 161.3 | 0 | 0 | 0 | 109.1 | V290 T291 V298 F380 T381 H383 | V290-I293 HydrophobicContact CG1-CD1 4.29Å; V290-I293 HydrophobicContact CG1-CG1 4.04Å; T291-I293 PolarHBondContact O-N 3.13Å; I293-V298 HydrophobicContact CB-CG2 4.33Å; I293-V298 HydrophobicContact CG1-CG2 3.64Å; I293-F380 HydrophobicContact CD1-CB 3.95Å; I293-F380 HydrophobicContact CG1-CD2 4.38Å; I293-F380 HydrophobicContact CG2-CD2 4.36Å; I293-T381 WeakPolarHBondContact CG2-O 3.23Å; I293-H383 PolarHBondContact O-CE1 2.94Å; I293-H383 VanDerWaalsContact O-CE1 3.31Å | ||
| 294 | Q | 84.6 | Confident | 84.2 | Confident | 92 Ų | 92 | 52.5 Ų | 52.5 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | trans | -127.4 | -171.3 | 175.2 | -49.8 | -173.4 | -1.2 | 0 | 0 | 109.8 | N292 R296 T297 T382 H383 | N292-Q294 PolarHBondContact OD1-NE2 2.86Å; Q294-R296 VanDerWaalsContact C-N 3.32Å; Q294-R296 PolarHBondContact O-N 2.7Å; Q294-T297 WeakPolarHBondContact CB-OG1 3.27Å; Q294-T297 PolarHBondContact N-O 2.96Å; Q294-T297 PolarHBondContact OE1-OG1 3.23Å; Q294-T382 WeakPolarHBondContact O-CB 3.37Å; Q294-H383 PolarHBondContact O-N 3.14Å | ||
| 295 | A | 80.7 | Confident | 84.4 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -70.5 | -25.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | R354 P355 H383 | A295-R354 CarbonylContact O-C 3.59Å; A295-P355 HydrophobicContact CB-CG 4.48Å; A295-P355 WeakPolarHBondContact O-CA 3.09Å; A295-H383 VanDerWaalsContact CA-O 3.29Å; A295-H383 WeakPolarHBondContact CA-O 3.41Å; A295-H383 HydrophobicContact CB-CB 4.35Å; A295-H383 WeakPolarHBondContact CB-O 3.47Å |
| 296 | R | 83.9 | Confident | 83.8 | Confident | 108 Ų | 108 | 53.8 Ų | 53.8 | 41% | 0.408 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -137.6 | 4.7 | -179.3 | -60.8 | -159.6 | 167.7 | 123.6 | 0.5 | 115.1 | Q294 K351 D352 L353 P355 | Q294-R296 VanDerWaalsContact C-N 3.32Å; Q294-R296 PolarHBondContact O-N 2.7Å; R296-K351 CarbonylContact O-C 3.46Å; R296-D352 PolarHBondContact O-N 3.22Å; R296-L353 WeakPolarHBondContact CA-O 3.3Å; R296-L353 WeakPolarHBondContact CB-O 3.35Å; R296-L353 VanDerWaalsContact CG-O 3.25Å; R296-L353 WeakPolarHBondContact CG-O 3.06Å; R296-L353 PolarHBondContact O-N 2.93Å; R296-P355 HydrophobicContact CG-CG 4.09Å |
| 297 | T | 84.8 | Confident | 82.9 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 20% | 0.202 | 27% | 0.268 | C | S | . | . | trans | -143 | 157.2 | -174.9 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | Q294 L350 K351 | Q294-T297 WeakPolarHBondContact CB-OG1 3.27Å; Q294-T297 PolarHBondContact N-O 2.96Å; Q294-T297 PolarHBondContact OE1-OG1 3.23Å; T297-L350 CarbonylContact C-O 3.56Å; T297-L350 VanDerWaalsContact CA-O 3.26Å; T297-L350 WeakPolarHBondContact CA-O 3.26Å; T297-K351 HydrophobicContact CG2-CB 4.14Å; T297-K351 HydrophobicContact CG2-CG 3.9Å | ||
| 298 | V | 88.9 | Confident | 82 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 155.6 | 174.3 | 73 | 0 | 0 | 0 | 0 | 110.7 | V290 T291 I293 L300 N349 L350 L353 F380 | V290-V298 HydrophobicContact CG1-CG2 3.28Å; T291-V298 WeakPolarHBondContact O-CG2 3.21Å; I293-V298 HydrophobicContact CB-CG2 4.33Å; I293-V298 HydrophobicContact CG1-CG2 3.64Å; V298-L300 HydrophobicContact CG1-CD2 4.28Å; V298-L300 HydrophobicContact CG1-CG 4.3Å; V298-N349 CarbonylContact O-C 3.6Å; V298-L350 HydrophobicContact CG1-CB 3.83Å; V298-L350 HydrophobicContact CG1-CD2 3.97Å; V298-L350 HydrophobicContact CG1-CG 4.12Å; V298-L350 PolarHBondContact N-O 3.02Å; V298-L350 PolarHBondContact O-N 2.98Å; V298-L353 HydrophobicContact CB-CD1 4.34Å; V298-L353 HydrophobicContact CG1-CD1 3.9Å; V298-F380 HydrophobicContact CB-CE2 4.03Å; V298-F380 HydrophobicContact CB-CZ 4.32Å; V298-F380 HydrophobicContact CG1-CE1 4.29Å; V298-F380 HydrophobicContact CG1-CE2 3.83Å; V298-F380 HydrophobicContact CG1-CZ 3.61Å; V298-F380 HydrophobicContact CG2-CD2 4.24Å; V298-F380 HydrophobicContact CG2-CE2 4.16Å |
| 299 | L | 89.3 | Confident | 80.7 | Confident | 39 Ų | 39 | 51 Ų | 51 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.6 | 170.5 | -177 | 62.7 | 0 | 0 | 0 | 110.6 | T291 N292 T301 N349 | T291-L299 PolarHBondContact N-O 2.79Å; T291-L299 PolarHBondContact O-N 3.15Å; N292-L299 HydrophobicContact CB-CB 4.47Å; L299-T301 HydrophobicContact CG-CG2 4.43Å; L299-N349 HydrophobicContact CD1-CB 4.27Å |
| 300 | L | 89.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 139.4 | 177.8 | -57.9 | 170.8 | 0 | 0 | 0 | 109.4 | Q289 V290 V298 W302 V326 I340 E347 Y348 L350 V361 F380 | Q289-L300 WeakPolarHBondContact O-CA 3.4Å; V290-L300 HydrophobicContact CB-CD2 4.46Å; V290-L300 HydrophobicContact CG1-CD2 4.17Å; V290-L300 HydrophobicContact CG2-CD2 3.89Å; V298-L300 HydrophobicContact CG1-CD2 4.28Å; V298-L300 HydrophobicContact CG1-CG 4.3Å; L300-W302 HydrophobicContact CB-CZ3 4.32Å; L300-V326 HydrophobicContact CD1-CG1 4.19Å; L300-I340 HydrophobicContact CD1-CD1 4.37Å; L300-E347 CarbonylContact O-C 3.59Å; L300-E347 VanDerWaalsContact O-CA 3.24Å; L300-E347 WeakPolarHBondContact O-CA 3.49Å; L300-Y348 HydrophobicContact CD1-CD1 4.41Å; L300-Y348 PolarHBondContact N-O 3.44Å; L300-Y348 PolarHBondContact O-N 3.29Å; L300-L350 HydrophobicContact CD1-CB 4.06Å; L300-L350 HydrophobicContact CD1-CD2 3.89Å; L300-V361 HydrophobicContact CD1-CG1 4.04Å; L300-V361 HydrophobicContact CD1-CG2 4.02Å; L300-V361 HydrophobicContact CD2-CB 4.45Å; L300-V361 HydrophobicContact CD2-CG1 4.34Å; L300-V361 HydrophobicContact CD2-CG2 4.13Å; L300-F380 HydrophobicContact CD2-CE1 4.39Å |
| 301 | T | 87.1 | Confident | 77.6 | Confident | 41 Ų | 41 | 54.3 Ų | 54.3 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152.7 | 174.8 | 67 | 0 | 0 | 0 | 0 | 111.8 | P288 Q289 L299 L346 E347 | P288-T301 CarbonylContact C-O 3.51Å; P288-T301 VanDerWaalsContact CA-O 3.27Å; P288-T301 WeakPolarHBondContact CA-O 3.25Å; P288-T301 WeakPolarHBondContact CB-O 3.47Å; Q289-T301 PolarHBondContact N-O 2.99Å; Q289-T301 PolarHBondContact O-N 2.83Å; Q289-T301 VanDerWaalsContact O-N 3.08Å; L299-T301 HydrophobicContact CG-CG2 4.43Å; T301-L346 CarbonylContact C-O 3.51Å; T301-L346 VanDerWaalsContact CA-O 3.3Å; T301-L346 WeakPolarHBondContact CA-O 3.46Å; T301-E347 HydrophobicContact CG2-CB 3.78Å |
| 302 | W | 88.1 | Confident | 75.6 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 6% | 0.064 | 33% | 0.329 | C | S | . | . | trans | -150.2 | 175.8 | -179.3 | 57.4 | 90.9 | 0 | 0 | 0 | 112.8 | P288 L300 Y324 V326 Y341 E345 L346 V363 | P288-W302 HydrophobicContact CB-CB 4.26Å; L300-W302 HydrophobicContact CB-CZ3 4.32Å; W302-Y324 AromaticContact CD1-CD1 3.88Å; W302-Y324 AromaticContact NE1-CD1 3.6Å; W302-Y324 AromaticContact NE1-CD2 3.63Å; W302-Y324 AromaticContact NE1-CG 3.25Å; W302-V326 HydrophobicContact CE3-CG2 4.13Å; W302-V326 HydrophobicContact CH2-CG2 3.29Å; W302-V326 HydrophobicContact CZ2-CG2 3.72Å; W302-V326 HydrophobicContact CZ3-CG2 3.52Å; W302-Y341 HydrophobicContact CH2-CD1 4.16Å; W302-Y341 HydrophobicContact CH2-CE1 4.27Å; W302-Y341 HydrophobicContact CZ2-CD1 4.26Å; W302-Y341 HydrophobicContact CZ2-CE1 4.1Å; W302-E345 WeakPolarHBondContact CZ2-O 3.33Å; W302-E345 PolarHBondContact NE1-O 3.02Å; W302-L346 PolarHBondContact N-O 2.75Å; W302-V363 HydrophobicContact CB-CG2 4.43Å; W302-V363 HydrophobicContact CD2-CG1 4.25Å; W302-V363 HydrophobicContact CD2-CG2 4.14Å; W302-V363 HydrophobicContact CE3-CG2 4.22Å; W302-V363 HydrophobicContact CG-CG1 4.28Å; W302-V363 HydrophobicContact CG-CG2 4.24Å | ||
| 303 | S | 82.2 | Confident | 74 | Confident | 35 Ų | 35 | 63.9 Ų | 63.9 | 25% | 0.245 | 34% | 0.343 | C | S | . | . | trans | -124.1 | 155.3 | -176 | 50 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 304 | P | 79.5 | Confident | 72.2 | Confident | 54 Ų | 54 | 70.2 Ų | 70.2 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | trans | -65.1 | 158.2 | 175.7 | -22.8 | 34.6 | 0 | 0 | 0 | 114 | Y324 L346 | P304-Y324 WeakPolarHBondContact CA-OH 3.43Å; P304-Y324 WeakPolarHBondContact CB-OH 3.41Å; P304-L346 HydrophobicContact CG-CD1 4.26Å; P304-L346 HydrophobicContact CG-CD2 4.36Å | ||
| 305 | P | 78 | Confident | 70.2 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | trans | -64.5 | 134.5 | 179.7 | -20.2 | 32.9 | 0 | 0 | 0 | 113.1 | I281 G284 G307 L308 A365 | I281-P305 WeakPolarHBondContact O-CB 3.49Å; G284-P305 CarbonylContact O-C 3.54Å; G284-P305 VanDerWaalsContact O-CA 3.24Å; G284-P305 WeakPolarHBondContact O-CA 3.26Å; P305-G307 PolarHBondContact O-N 2.9Å; P305-G307 VanDerWaalsContact O-N 3.14Å; P305-L308 HydrophobicContact CB-CD1 4.39Å; P305-L308 HydrophobicContact CG-CD1 4.24Å; P305-L308 PolarHBondContact O-N 2.91Å; P305-A365 HydrophobicContact CG-CB 3.48Å; P305-A365 VanDerWaalsContact CG-CB 3.48Å | ||
| 306 | T | 69.4 | Low | 68.7 | Low | 78 Ų | 78 | 80.1 Ų | 80.1 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -63.1 | -28.3 | -169.4 | -32.3 | 0 | 0 | 0 | 0 | 113.6 | G284 L308 L309 | G284-T306 PolarHBondContact O-N 2.94Å; G284-T306 PolarHBondContact O-OG1 2.89Å; T306-L308 VanDerWaalsContact C-N 3.31Å; T306-L308 PolarHBondContact O-N 2.68Å; T306-L309 PolarHBondContact O-N 2.92Å |
| 307 | G | 61.9 | Low | 67.1 | Low | 34 Ų | 34 | 78.3 Ų | 78.3 | 35% | 0.351 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -69.5 | -22.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P305 L309 | P305-G307 PolarHBondContact O-N 2.9Å; P305-G307 VanDerWaalsContact O-N 3.14Å; G307-L309 VanDerWaalsContact C-N 3.28Å; G307-L309 PolarHBondContact O-N 3.24Å |
| 308 | L | 61.6 | Low | 65.5 | Low | 34 Ų | 34 | 80.5 Ų | 80.5 | 18% | 0.178 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -74.5 | -16.5 | 178.6 | -91.1 | 149.8 | 0 | 0 | 0 | 113.3 | I281 L282 P305 T306 Y320 C322 | I281-L308 HydrophobicContact CG2-CD1 4.42Å; I281-L308 HydrophobicContact CG2-CG 3.85Å; L282-L308 HydrophobicContact CD2-CD1 4.25Å; P305-L308 HydrophobicContact CB-CD1 4.39Å; P305-L308 HydrophobicContact CG-CD1 4.24Å; P305-L308 PolarHBondContact O-N 2.91Å; T306-L308 VanDerWaalsContact C-N 3.31Å; T306-L308 PolarHBondContact O-N 2.68Å; L308-Y320 WeakPolarHBondContact O-CE1 3.41Å; L308-C322 VanDerWaalsContact CD1-SG 3.51Å |
| 309 | L | 58.9 | Low | 63.8 | Low | 123 Ų | 123 | 84.8 Ų | 84.8 | 64% | 0.644 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -88.3 | -4.1 | -173.7 | -67.4 | 165.8 | 0 | 0 | 0 | 114.4 | T306 G307 | T306-L309 PolarHBondContact O-N 2.92Å; G307-L309 VanDerWaalsContact C-N 3.28Å; G307-L309 PolarHBondContact O-N 3.24Å |
| 310 | N | 55.1 | Low | 62.3 | Low | 141 Ų | 141 | 90.7 Ų | 90.7 | 75% | 0.754 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -128.1 | 16.4 | -167.8 | -75.8 | -50.6 | 0 | 0 | 0 | 114.7 | ||
| 311 | A | 50.1 | Low | 61.3 | Low | 63 Ų | 63 | 94.8 Ų | 94.8 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | trans | -104.7 | 93 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 312 | D | 43.2 | Very low | 60.7 | Low | 154 Ų | 154 | 93.4 Ų | 93.4 | 82% | 0.824 | 51% | 0.514 | S | S | * | . | trans | -143.8 | 153.9 | 174.4 | -155.9 | -9.4 | 0 | 0 | 0 | 112.3 | ||||
| 313 | R | 51.8 | Low | 60.5 | Low | 217 Ų | 217 | 95 Ų | 95 | 82% | 0.819 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 75.2 | 108.9 | -174.2 | -55.9 | -175.7 | 174.1 | -161.5 | -3.4 | 117.2 | ||
| 314 | H | 48.3 | Very low | 60.7 | Low | 188 Ų | 188 | 93.9 Ų | 93.9 | 87% | 0.87 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 80 | 121.8 | 165.4 | -64 | 42.9 | 0 | 0 | 0 | 116.5 | ||
| 315 | N | 41 | Very low | 61.2 | Low | 159 Ų | 159 | 93.3 Ų | 93.3 | 85% | 0.85 | 51% | 0.509 | S | S | * | . | S | Bend | trans | 61.2 | 111.9 | -172.2 | -76.2 | 4.6 | 0 | 0 | 0 | 117.4 | G317 | N315-G317 PolarHBondContact O-N 3.07Š|
| 316 | N | 50.2 | Low | 61.7 | Low | 163 Ų | 163 | 93.3 Ų | 93.3 | 87% | 0.872 | 51% | 0.509 | S | S | * | . | trans | 31.1 | 80.3 | 156.1 | -62.4 | 1.3 | 0 | 0 | 0 | 117.2 | ||||
| 317 | G | 49.6 | Very low | 62.6 | Low | 70 Ų | 70 | 89.6 Ų | 89.6 | 72% | 0.722 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -69 | 146.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N315 | N315-G317 PolarHBondContact O-N 3.07Š|
| 318 | L | 51.4 | Low | 63.9 | Low | 80 Ų | 80 | 89 Ų | 89 | 42% | 0.419 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 135.4 | 178 | -65.4 | 172 | 0 | 0 | 0 | 110.6 | V278 Y367 | V278-L318 HydrophobicContact CG1-CD1 4.37Å; V278-L318 HydrophobicContact CG2-CD1 3.85Å; L318-Y367 HydrophobicContact CB-CE1 3.95Å; L318-Y367 HydrophobicContact CD1-CD1 4.21Å; L318-Y367 HydrophobicContact CD1-CE1 3.76Å; L318-Y367 HydrophobicContact CD2-CE1 4.01Å; L318-Y367 HydrophobicContact CG-CE1 4.11Å |
| 319 | P | 53.1 | Low | 65 | Low | 90 Ų | 90 | 87.6 Ų | 87.6 | 58% | 0.584 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 143.1 | -178.9 | 21.8 | -33.1 | 0 | 0 | 0 | 113.9 | T321 Y367 | P319-T321 PolarHBondContact O-N 2.95Å; P319-Y367 VanDerWaalsContact CD-OH 3.23Å; P319-Y367 WeakPolarHBondContact CD-OH 3.28Å; P319-Y367 WeakPolarHBondContact CG-OH 3.48Å; P319-Y367 VanDerWaalsContact O-CE2 3.25Å; P319-Y367 WeakPolarHBondContact O-CE2 3.11Å |
| 320 | Y | 57.7 | Low | 66 | Low | 163 Ų | 163 | 84.9 Ų | 84.9 | 64% | 0.639 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -81.1 | 61.8 | -164.7 | -69.3 | -93.2 | 0 | 0 | 0 | 115.8 | L308 | L308-Y320 WeakPolarHBondContact O-CE1 3.41Š|
| 321 | T | 68.4 | Low | 66.7 | Low | 86 Ų | 86 | 85.8 Ų | 85.8 | 53% | 0.528 | 45% | 0.451 | S | S | . | . | trans | -135.1 | 117.9 | 163.5 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | P319 Y367 | P319-T321 PolarHBondContact O-N 2.95Å; T321-Y367 WeakPolarHBondContact O-CD2 3.33Å | ||
| 322 | C | 75.6 | Confident | 67.3 | Low | 13 Ų | 13 | 84 Ų | 84 | 9% | 0.088 | 44% | 0.439 | C | S | . | . | trans | -112.7 | 146 | 173.8 | -71.8 | 0 | 0 | 0 | 0 | 110.1 | L308 | L308-C322 VanDerWaalsContact CD1-SG 3.51Š| ||
| 323 | T | 82.8 | Confident | 68.1 | Low | 49 Ų | 49 | 81.8 Ų | 81.8 | 30% | 0.301 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 144.9 | 172 | 48.8 | 0 | 0 | 0 | 0 | 110.4 | E344 I366 | T323-E344 HydrophobicContact CG2-CG 3.81Å; T323-I366 PolarHBondContact N-O 3.14Å; T323-I366 PolarHBondContact O-N 2.9Å; T323-I366 PolarHBondContact OG1-O 3.32Å |
| 324 | Y | 87.1 | Confident | 68.6 | Low | 13 Ų | 13 | 79.4 Ų | 79.4 | 5% | 0.051 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126 | -176.2 | -57.7 | -77.2 | 0 | 0 | 0 | 111 | M285 W302 P304 S342 G343 L346 Y364 A365 | M285-Y324 HydrophobicContact CE-CD1 3.87Å; M285-Y324 HydrophobicContact CE-CE1 4.24Å; W302-Y324 AromaticContact CD1-CD1 3.88Å; W302-Y324 AromaticContact NE1-CD1 3.6Å; W302-Y324 AromaticContact NE1-CD2 3.63Å; W302-Y324 AromaticContact NE1-CG 3.25Å; P304-Y324 WeakPolarHBondContact CA-OH 3.43Å; P304-Y324 WeakPolarHBondContact CB-OH 3.41Å; Y324-S342 VanDerWaalsContact O-CA 3.31Å; Y324-S342 WeakPolarHBondContact O-CA 3.3Å; Y324-G343 PolarHBondContact N-O 3.46Å; Y324-G343 PolarHBondContact O-N 2.67Å; Y324-G343 VanDerWaalsContact O-N 3.1Å; Y324-L346 HydrophobicContact CD2-CD2 4.09Å; Y324-L346 HydrophobicContact CE1-CD2 4.41Å; Y324-L346 HydrophobicContact CE2-CD2 3.55Å; Y324-Y364 VanDerWaalsContact CA-O 3.29Å; Y324-Y364 WeakPolarHBondContact CA-O 3.42Å; Y324-A365 HydrophobicContact CD1-CB 4.34Å; Y324-A365 HydrophobicContact CE1-CB 4.22Å |
| 325 | E | 90 | Very high | 69.6 | Low | 42 Ų | 42 | 71.3 Ų | 71.3 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 115.8 | 170.9 | -79.3 | -169.8 | 148.1 | 0 | 0 | 110.6 | I339 Y341 V363 Y364 I366 K371 | E325-I339 HydrophobicContact CB-CD1 4.29Å; E325-I339 HydrophobicContact CB-CG2 4.12Å; E325-I339 HydrophobicContact CG-CG2 4.13Å; E325-Y341 CarbonylContact C-O 3.51Å; E325-Y341 WeakPolarHBondContact CA-O 3.27Å; E325-V363 CarbonylContact O-C 3.58Å; E325-V363 VanDerWaalsContact O-CA 3.31Å; E325-V363 WeakPolarHBondContact O-CA 3.29Å; E325-V363 WeakPolarHBondContact O-CG1 3.49Å; E325-Y364 HydrophobicContact CB-CD2 4.21Å; E325-Y364 PolarHBondContact N-O 3.42Å; E325-Y364 PolarHBondContact O-N 3.08Å; E325-I366 HydrophobicContact CG-CD1 3.82Å; E325-K371 IonicContact OE2-NZ 3.14Å; E325-K371 PolarHBondContact OE2-NZ 3.03Å |
| 326 | V | 89.1 | Confident | 71.2 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 129.6 | 174.3 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | L300 W302 I339 I340 Y341 V361 V363 | L300-V326 HydrophobicContact CD1-CG1 4.19Å; W302-V326 HydrophobicContact CE3-CG2 4.13Å; W302-V326 HydrophobicContact CH2-CG2 3.29Å; W302-V326 HydrophobicContact CZ2-CG2 3.72Å; W302-V326 HydrophobicContact CZ3-CG2 3.52Å; V326-I339 CarbonylContact O-C 3.55Å; V326-I339 WeakPolarHBondContact O-CA 3.35Å; V326-I340 HydrophobicContact CB-CG1 4.14Å; V326-I340 HydrophobicContact CG1-CD1 3.88Å; V326-I340 HydrophobicContact CG1-CG1 3.96Å; V326-I340 VanDerWaalsContact O-CG1 3.31Å; V326-I340 WeakPolarHBondContact O-CG1 3.27Å; V326-I340 PolarHBondContact O-N 2.82Å; V326-Y341 HydrophobicContact CG2-CD1 3.97Å; V326-Y341 HydrophobicContact CG2-CG 4.45Å; V326-Y341 PolarHBondContact N-O 2.86Å; V326-Y341 PolarHBondContact O-N 2.78Å; V326-V361 HydrophobicContact CG1-CG1 3.64Å; V326-V363 HydrophobicContact CG1-CG2 4.34Å; V326-V363 HydrophobicContact CG2-CG1 4.1Å; V326-V363 HydrophobicContact CG2-CG2 4.11Å |
| 327 | A | 87.6 | Confident | 72.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y337 K338 I339 V361 R362 Y364 | A327-Y337 HydrophobicContact CB-CD1 4.4Å; A327-K338 CarbonylContact C-O 3.52Å; A327-K338 WeakPolarHBondContact CA-O 3.38Å; A327-I339 HydrophobicContact CB-CD1 3.67Å; A327-V361 WeakPolarHBondContact O-CA 3.46Å; A327-R362 HydrophobicContact CB-CG 4.12Å; A327-R362 PolarHBondContact N-O 3.34Å; A327-R362 PolarHBondContact O-N 3.44Å; A327-Y364 HydrophobicContact CB-CE2 4.02Å |
| 328 | L | 89.5 | Confident | 74.6 | Confident | 22 Ų | 22 | 71.2 Ų | 71.2 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 143.5 | -175.8 | -177.8 | 72.6 | 0 | 0 | 0 | 111.4 | Y337 K338 I340 L350 L353 Y359 H360 V361 | L328-Y337 CarbonylContact O-C 3.48Å; L328-Y337 WeakPolarHBondContact O-CA 3.36Å; L328-K338 PolarHBondContact N-O 2.74Å; L328-K338 PolarHBondContact O-N 3.08Å; L328-I340 HydrophobicContact CB-CD1 3.83Å; L328-I340 HydrophobicContact CB-CG1 4.03Å; L328-I340 HydrophobicContact CB-CG2 3.74Å; L328-I340 HydrophobicContact CD2-CD1 4.37Å; L328-I340 HydrophobicContact CD2-CG2 4.06Å; L328-L350 HydrophobicContact CD1-CD2 3.82Å; L328-L350 HydrophobicContact CD2-CD1 4.19Å; L328-L350 HydrophobicContact CD2-CD2 3.95Å; L328-L350 HydrophobicContact CG-CD2 4.48Å; L328-L353 HydrophobicContact CD2-CD2 4.25Å; L328-Y359 HydrophobicContact CD1-CD1 3.76Å; L328-Y359 HydrophobicContact CD1-CG 4.23Å; L328-Y359 HydrophobicContact CD2-CD1 4.08Å; L328-Y359 HydrophobicContact CD2-CE1 4.24Å; L328-Y359 HydrophobicContact CG-CD1 4.02Å; L328-H360 CarbonylContact C-O 3.6Å; L328-H360 WeakPolarHBondContact CA-O 3.47Å; L328-V361 HydrophobicContact CD1-CG2 3.44Å; L328-V361 VanDerWaalsContact CD1-CG2 3.44Å |
| 329 | S | 85.1 | Confident | 76.3 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 3% | 0.028 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 142.2 | 166.8 | -154.3 | 0 | 0 | 0 | 0 | 112 | K336 H360 | S329-K336 PolarHBondContact OG-O 2.87Å; S329-H360 PolarHBondContact N-O 3.41Å; S329-H360 PolarHBondContact O-N 2.83Å |
| 330 | D | 78.8 | Confident | 77.9 | Confident | 66 Ų | 66 | 68 Ų | 68 | 35% | 0.353 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -100.3 | 22.5 | 177.2 | 67.8 | -30 | 0 | 0 | 0 | 112.7 | R354 Y359 | D330-R354 IonicContact OD2-NH1 3.12Å; D330-R354 PolarHBondContact OD2-NH1 2.86Å; D330-Y359 HydrophobicContact CB-CD1 4.04Å; D330-Y359 HydrophobicContact CB-CE1 3.72Å |
| 331 | K | 70.7 | Confident | 79.3 | Confident | 160 Ų | 160 | 61.8 Ų | 61.8 | 70% | 0.696 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -143.3 | 30.9 | -167.4 | -60.5 | -168.5 | -179.6 | -169.8 | 0 | 115.7 | ||
| 332 | G | 63.3 | Low | 80.1 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | trans | 84.7 | 178.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D334 G335 H360 | G332-D334 VanDerWaalsContact C-N 3.27Å; G332-D334 PolarHBondContact O-N 3.4Å; G332-G335 PolarHBondContact O-N 2.96Å; G332-H360 VanDerWaalsContact CA-CD2 3.48Å; G332-H360 WeakPolarHBondContact CA-CD2 3.44Å; G332-H360 WeakPolarHBondContact CA-NE2 3.18Å | ||
| 333 | K | 59.5 | Low | 80.6 | Confident | 107 Ų | 107 | 61.4 Ų | 61.4 | 47% | 0.465 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -31 | -178.8 | -77.3 | -160.2 | 172.7 | -157.5 | 0 | 113.4 | G335 Y337 E376 P377 | K333-G335 VanDerWaalsContact C-N 3.32Å; K333-G335 PolarHBondContact O-N 2.86Å; K333-Y337 WeakPolarHBondContact O-CE2 3.35Å; K333-Y337 PolarHBondContact O-OH 2.84Å; K333-E376 IonicContact NZ-OE2 2.66Å; K333-E376 PolarHBondContact NZ-OE2 3.22Å; K333-P377 HydrophobicContact CD-CG 4.02Å; K333-P377 HydrophobicContact CG-CG 4.12Å |
| 334 | D | 62.7 | Low | 80.6 | Confident | 166 Ų | 166 | 65 Ų | 65 | 89% | 0.888 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 4.5 | -175.3 | -46.4 | -53.5 | 0 | 0 | 0 | 113.5 | G332 | G332-D334 VanDerWaalsContact C-N 3.27Å; G332-D334 PolarHBondContact O-N 3.4Å |
| 335 | G | 68.2 | Low | 80.6 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -72.8 | 162.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G332 K333 Y337 | G332-G335 PolarHBondContact O-N 2.96Å; K333-G335 VanDerWaalsContact C-N 3.32Å; K333-G335 PolarHBondContact O-N 2.86Å; G335-Y337 VanDerWaalsContact O-CD2 3.24Å; G335-Y337 WeakPolarHBondContact O-CD2 3.49Å; G335-Y337 PolarHBondContact O-N 2.76Å |
| 336 | K | 75.2 | Confident | 80.3 | Confident | 203 Ų | 203 | 71.5 Ų | 71.5 | 88% | 0.883 | 36% | 0.36 | S | S | * | . | trans | -69.2 | 113.7 | 161.8 | -73.4 | -173.9 | 176.6 | -178.5 | 0 | 108.4 | S329 | S329-K336 PolarHBondContact OG-O 2.87Š| ||
| 337 | Y | 85.6 | Confident | 80.3 | Confident | 31 Ų | 31 | 77 Ų | 77 | 12% | 0.122 | 39% | 0.386 | C | S | . | . | trans | -79.8 | 138.3 | 169.8 | -65.4 | -107.6 | 0 | 0 | 0 | 109.7 | A327 L328 K333 G335 H360 R362 P377 | A327-Y337 HydrophobicContact CB-CD1 4.4Å; L328-Y337 CarbonylContact O-C 3.48Å; L328-Y337 WeakPolarHBondContact O-CA 3.36Å; K333-Y337 WeakPolarHBondContact O-CE2 3.35Å; K333-Y337 PolarHBondContact O-OH 2.84Å; G335-Y337 VanDerWaalsContact O-CD2 3.24Å; G335-Y337 WeakPolarHBondContact O-CD2 3.49Å; G335-Y337 PolarHBondContact O-N 2.76Å; Y337-H360 HydrophobicContact CE1-CB 3.94Å; Y337-R362 HydrophobicContact CD1-CG 3.92Å; Y337-R362 HydrophobicContact CE1-CG 3.99Å; Y337-R362 HydrophobicContact CG-CG 4.45Å; Y337-P377 HydrophobicContact CE1-CB 4.37Å; Y337-P377 WeakPolarHBondContact OH-CB 3.35Å | ||
| 338 | K | 85.4 | Confident | 80.3 | Confident | 155 Ų | 155 | 80.2 Ų | 80.2 | 67% | 0.674 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.6 | 173.3 | -175.7 | -167.2 | 172 | -168.8 | 0 | 108.7 | A327 L328 I340 | A327-K338 CarbonylContact C-O 3.52Å; A327-K338 WeakPolarHBondContact CA-O 3.38Å; L328-K338 PolarHBondContact N-O 2.74Å; L328-K338 PolarHBondContact O-N 3.08Å; K338-I340 PolarHBondContact O-N 3.01Å |
| 339 | I | 86.1 | Confident | 80.3 | Confident | 63 Ų | 63 | 82.6 Ų | 82.6 | 32% | 0.323 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 126.5 | 170.2 | -49.7 | -50.6 | 0 | 0 | 0 | 108.7 | E325 V326 A327 Y341 Y364 | E325-I339 HydrophobicContact CB-CD1 4.29Å; E325-I339 HydrophobicContact CB-CG2 4.12Å; E325-I339 HydrophobicContact CG-CG2 4.13Å; V326-I339 CarbonylContact O-C 3.55Å; V326-I339 WeakPolarHBondContact O-CA 3.35Å; A327-I339 HydrophobicContact CB-CD1 3.67Å; I339-Y341 VanDerWaalsContact CG2-O 3.31Å; I339-Y341 WeakPolarHBondContact CG2-O 3.48Å; I339-Y364 HydrophobicContact CD1-CD2 4.44Å; I339-Y364 HydrophobicContact CD1-CE2 4.08Å |
| 340 | I | 86.8 | Confident | 80.4 | Confident | 41 Ų | 41 | 82.8 Ų | 82.8 | 21% | 0.21 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -23.6 | -179.3 | 50.6 | 157.8 | 0 | 0 | 0 | 112.9 | L300 V326 L328 K338 Y348 L350 | L300-I340 HydrophobicContact CD1-CD1 4.37Å; V326-I340 HydrophobicContact CB-CG1 4.14Å; V326-I340 HydrophobicContact CG1-CD1 3.88Å; V326-I340 HydrophobicContact CG1-CG1 3.96Å; V326-I340 VanDerWaalsContact O-CG1 3.31Å; V326-I340 WeakPolarHBondContact O-CG1 3.27Å; V326-I340 PolarHBondContact O-N 2.82Å; L328-I340 HydrophobicContact CB-CD1 3.83Å; L328-I340 HydrophobicContact CB-CG1 4.03Å; L328-I340 HydrophobicContact CB-CG2 3.74Å; L328-I340 HydrophobicContact CD2-CD1 4.37Å; L328-I340 HydrophobicContact CD2-CG2 4.06Å; K338-I340 PolarHBondContact O-N 3.01Å; I340-Y348 HydrophobicContact CD1-CD1 4.3Å; I340-Y348 HydrophobicContact CD1-CE1 4.05Å; I340-L350 HydrophobicContact CD1-CD1 3.88Å; I340-L350 HydrophobicContact CD1-CD2 3.87Å; I340-L350 HydrophobicContact CD1-CG 4.36Å |
| 341 | Y | 87.7 | Confident | 80.7 | Confident | 31 Ų | 31 | 85.5 Ų | 85.5 | 12% | 0.122 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 146.2 | 176 | 174.5 | -88.3 | 0 | 0 | 0 | 109.3 | W302 E325 V326 I339 G343 E345 Y348 | W302-Y341 HydrophobicContact CH2-CD1 4.16Å; W302-Y341 HydrophobicContact CH2-CE1 4.27Å; W302-Y341 HydrophobicContact CZ2-CD1 4.26Å; W302-Y341 HydrophobicContact CZ2-CE1 4.1Å; E325-Y341 CarbonylContact C-O 3.51Å; E325-Y341 WeakPolarHBondContact CA-O 3.27Å; V326-Y341 HydrophobicContact CG2-CD1 3.97Å; V326-Y341 HydrophobicContact CG2-CG 4.45Å; V326-Y341 PolarHBondContact N-O 2.86Å; V326-Y341 PolarHBondContact O-N 2.78Å; I339-Y341 VanDerWaalsContact CG2-O 3.31Å; I339-Y341 WeakPolarHBondContact CG2-O 3.48Å; Y341-G343 VanDerWaalsContact CE1-N 3.34Å; Y341-E345 WeakPolarHBondContact CE2-OE2 3.49Å; Y341-E345 VanDerWaalsContact OH-CB 3.24Å; Y341-E345 WeakPolarHBondContact OH-CB 3.47Å; Y341-E345 WeakPolarHBondContact OH-CG 3.46Å; Y341-E345 PolarHBondContact OH-N 2.95Å; Y341-E345 PolarHBondContact OH-OE2 3.44Å; Y341-Y348 AromaticContact CD2-CD2 3.29Å; Y341-Y348 HydrophobicContact CD2-CD2 3.29Å; Y341-Y348 AromaticContact CD2-CE2 3.59Å; Y341-Y348 HydrophobicContact CD2-CE2 3.59Å; Y341-Y348 HydrophobicContact CD2-CG 4.05Å; Y341-Y348 AromaticContact CE2-CD2 3.96Å; Y341-Y348 HydrophobicContact CE2-CD2 3.96Å; Y341-Y348 HydrophobicContact CE2-CE2 4.46Å; Y341-Y348 AromaticContact CG-CD2 3.85Å; Y341-Y348 HydrophobicContact CG-CD2 3.85Å; Y341-Y348 HydrophobicContact CG-CE2 4.25Å; Y341-Y348 HydrophobicContact CG-CG 4.17Å |
| 342 | S | 86.4 | Confident | 81.2 | Confident | 76 Ų | 76 | 85.3 Ų | 85.3 | 53% | 0.531 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 117.5 | 170.6 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | Y324 | Y324-S342 VanDerWaalsContact O-CA 3.31Å; Y324-S342 WeakPolarHBondContact O-CA 3.3Å |
| 343 | G | 84.8 | Confident | 82.2 | Confident | 16 Ų | 16 | 84.4 Ų | 84.4 | 17% | 0.165 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.6 | -175.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y324 Y341 | Y324-G343 PolarHBondContact N-O 3.46Å; Y324-G343 PolarHBondContact O-N 2.67Å; Y324-G343 VanDerWaalsContact O-N 3.1Å; Y341-G343 VanDerWaalsContact CE1-N 3.34Å |
| 344 | E | 83.8 | Confident | 83.2 | Confident | 123 Ų | 123 | 86.4 Ų | 86.4 | 58% | 0.575 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -96.1 | -6.9 | -176.3 | -62.4 | -175.5 | 157.8 | 0 | 0 | 113.5 | T323 | T323-E344 HydrophobicContact CG2-CG 3.81Š|
| 345 | E | 85.5 | Confident | 84.2 | Confident | 123 Ų | 123 | 79.1 Ų | 79.1 | 58% | 0.575 | 38% | 0.382 | S | S | * | . | trans | -72.1 | 161 | -179.7 | -53.9 | 165.4 | 123.1 | 0 | 0 | 111.4 | W302 Y341 | W302-E345 WeakPolarHBondContact CZ2-O 3.33Å; W302-E345 PolarHBondContact NE1-O 3.02Å; Y341-E345 WeakPolarHBondContact CE2-OE2 3.49Å; Y341-E345 VanDerWaalsContact OH-CB 3.24Å; Y341-E345 WeakPolarHBondContact OH-CB 3.47Å; Y341-E345 WeakPolarHBondContact OH-CG 3.46Å; Y341-E345 PolarHBondContact OH-N 2.95Å; Y341-E345 PolarHBondContact OH-OE2 3.44Å | ||
| 346 | L | 85.6 | Confident | 84.9 | Confident | 70 Ų | 70 | 80.3 Ų | 80.3 | 37% | 0.366 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -107.2 | 6.4 | 179.2 | -66.6 | 178.5 | 0 | 0 | 0 | 113.2 | T301 W302 P304 Y324 | T301-L346 CarbonylContact C-O 3.51Å; T301-L346 VanDerWaalsContact CA-O 3.3Å; T301-L346 WeakPolarHBondContact CA-O 3.46Å; W302-L346 PolarHBondContact N-O 2.75Å; P304-L346 HydrophobicContact CG-CD1 4.26Å; P304-L346 HydrophobicContact CG-CD2 4.36Å; Y324-L346 HydrophobicContact CD2-CD2 4.09Å; Y324-L346 HydrophobicContact CE1-CD2 4.41Å; Y324-L346 HydrophobicContact CE2-CD2 3.55Å |
| 347 | E | 87.2 | Confident | 85.2 | Confident | 116 Ų | 116 | 72.1 Ų | 72.1 | 54% | 0.542 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 153.4 | 175.7 | 64.6 | 170.6 | -151.1 | 0 | 0 | 112.6 | L300 T301 | L300-E347 CarbonylContact O-C 3.59Å; L300-E347 VanDerWaalsContact O-CA 3.24Å; L300-E347 WeakPolarHBondContact O-CA 3.49Å; T301-E347 HydrophobicContact CG2-CB 3.78Å |
| 348 | Y | 88.8 | Confident | 85.3 | Confident | 66 Ų | 66 | 75.2 Ų | 75.2 | 26% | 0.259 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 125.8 | 176 | -178.4 | -109.8 | 0 | 0 | 0 | 112.3 | L300 I340 Y341 L350 | L300-Y348 HydrophobicContact CD1-CD1 4.41Å; L300-Y348 PolarHBondContact N-O 3.44Å; L300-Y348 PolarHBondContact O-N 3.29Å; I340-Y348 HydrophobicContact CD1-CD1 4.3Å; I340-Y348 HydrophobicContact CD1-CE1 4.05Å; Y341-Y348 AromaticContact CD2-CD2 3.29Å; Y341-Y348 HydrophobicContact CD2-CD2 3.29Å; Y341-Y348 AromaticContact CD2-CE2 3.59Å; Y341-Y348 HydrophobicContact CD2-CE2 3.59Å; Y341-Y348 HydrophobicContact CD2-CG 4.05Å; Y341-Y348 AromaticContact CE2-CD2 3.96Å; Y341-Y348 HydrophobicContact CE2-CD2 3.96Å; Y341-Y348 HydrophobicContact CE2-CE2 4.46Å; Y341-Y348 AromaticContact CG-CD2 3.85Å; Y341-Y348 HydrophobicContact CG-CD2 3.85Å; Y341-Y348 HydrophobicContact CG-CE2 4.25Å; Y341-Y348 HydrophobicContact CG-CG 4.17Å; Y348-L350 HydrophobicContact CD1-CB 3.93Å; Y348-L350 HydrophobicContact CE1-CB 3.82Å; Y348-L350 HydrophobicContact CE1-CD1 4.14Å; Y348-L350 PolarHBondContact O-N 3Å |
| 349 | N | 88.4 | Confident | 85.3 | Confident | 72 Ų | 72 | 68.6 Ų | 68.6 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 97.4 | 174 | -169.1 | -60.7 | 0 | 0 | 0 | 109.8 | V298 L299 K351 | V298-N349 CarbonylContact O-C 3.6Å; L299-N349 HydrophobicContact CD1-CB 4.27Å; N349-K351 WeakPolarHBondContact OD1-CE 3.31Å; N349-K351 WeakPolarHBondContact OD1-CG 3.36Å |
| 350 | L | 87.3 | Confident | 85.4 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125.4 | -178.7 | 168.3 | 60.2 | 0 | 0 | 0 | 110 | T297 V298 L300 L328 I340 Y348 L353 F380 | T297-L350 CarbonylContact C-O 3.56Å; T297-L350 VanDerWaalsContact CA-O 3.26Å; T297-L350 WeakPolarHBondContact CA-O 3.26Å; V298-L350 HydrophobicContact CG1-CB 3.83Å; V298-L350 HydrophobicContact CG1-CD2 3.97Å; V298-L350 HydrophobicContact CG1-CG 4.12Å; V298-L350 PolarHBondContact N-O 3.02Å; V298-L350 PolarHBondContact O-N 2.98Å; L300-L350 HydrophobicContact CD1-CB 4.06Å; L300-L350 HydrophobicContact CD1-CD2 3.89Å; L328-L350 HydrophobicContact CD1-CD2 3.82Å; L328-L350 HydrophobicContact CD2-CD1 4.19Å; L328-L350 HydrophobicContact CD2-CD2 3.95Å; L328-L350 HydrophobicContact CG-CD2 4.48Å; I340-L350 HydrophobicContact CD1-CD1 3.88Å; I340-L350 HydrophobicContact CD1-CD2 3.87Å; I340-L350 HydrophobicContact CD1-CG 4.36Å; Y348-L350 HydrophobicContact CD1-CB 3.93Å; Y348-L350 HydrophobicContact CE1-CB 3.82Å; Y348-L350 HydrophobicContact CE1-CD1 4.14Å; Y348-L350 PolarHBondContact O-N 3Å; L350-L353 HydrophobicContact CD1-CD2 4.05Å; L350-L353 HydrophobicContact CD2-CD1 4.27Å; L350-L353 HydrophobicContact CD2-CD2 3.94Å; L350-L353 HydrophobicContact CG-CD1 4.16Å; L350-L353 HydrophobicContact CG-CD2 3.83Å; L350-L353 HydrophobicContact CG-CG 4.15Å; L350-F380 HydrophobicContact CD2-CZ 4.31Å |
| 351 | K | 85.1 | Confident | 85.4 | Confident | 123 Ų | 123 | 64.9 Ų | 64.9 | 54% | 0.535 | 33% | 0.327 | S | S | . | . | trans | -122.5 | 178.6 | -174.4 | -56.1 | -178.1 | -175.2 | 173.2 | 0 | 111.6 | R296 T297 N349 L353 | R296-K351 CarbonylContact O-C 3.46Å; T297-K351 HydrophobicContact CG2-CB 4.14Å; T297-K351 HydrophobicContact CG2-CG 3.9Å; N349-K351 WeakPolarHBondContact OD1-CE 3.31Å; N349-K351 WeakPolarHBondContact OD1-CG 3.36Å; K351-L353 PolarHBondContact O-N 2.85Å | ||
| 352 | D | 82.5 | Confident | 85.5 | Confident | 155 Ų | 155 | 66.1 Ų | 66.1 | 83% | 0.829 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 55.9 | 30.2 | 179.1 | -55.6 | -40.7 | 0 | 0 | 0 | 114.4 | R296 | R296-D352 PolarHBondContact O-N 3.22Š|
| 353 | L | 84.3 | Confident | 85.6 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 153.8 | 171.7 | -58.8 | 179.9 | 0 | 0 | 0 | 110.9 | R296 V298 L328 L350 K351 Y359 F380 T382 | R296-L353 WeakPolarHBondContact CA-O 3.3Å; R296-L353 WeakPolarHBondContact CB-O 3.35Å; R296-L353 VanDerWaalsContact CG-O 3.25Å; R296-L353 WeakPolarHBondContact CG-O 3.06Å; R296-L353 PolarHBondContact O-N 2.93Å; V298-L353 HydrophobicContact CB-CD1 4.34Å; V298-L353 HydrophobicContact CG1-CD1 3.9Å; L328-L353 HydrophobicContact CD2-CD2 4.25Å; L350-L353 HydrophobicContact CD1-CD2 4.05Å; L350-L353 HydrophobicContact CD2-CD1 4.27Å; L350-L353 HydrophobicContact CD2-CD2 3.94Å; L350-L353 HydrophobicContact CG-CD1 4.16Å; L350-L353 HydrophobicContact CG-CD2 3.83Å; L350-L353 HydrophobicContact CG-CG 4.15Å; K351-L353 PolarHBondContact O-N 2.85Å; L353-Y359 HydrophobicContact CB-CE2 3.86Å; L353-Y359 HydrophobicContact CD1-CD2 4.39Å; L353-Y359 HydrophobicContact CD1-CE2 4.42Å; L353-Y359 HydrophobicContact CD2-CD1 4.25Å; L353-Y359 HydrophobicContact CD2-CD2 4.26Å; L353-Y359 HydrophobicContact CD2-CE1 3.87Å; L353-Y359 HydrophobicContact CD2-CE2 3.88Å; L353-Y359 HydrophobicContact CD2-CG 4.42Å; L353-Y359 HydrophobicContact CG-CE2 4.29Å; L353-F380 HydrophobicContact CD1-CE2 3.71Å; L353-F380 HydrophobicContact CD1-CZ 3.85Å; L353-T382 HydrophobicContact CB-CG2 3.87Å; L353-T382 HydrophobicContact CD1-CG2 3.79Å |
| 354 | R | 80.4 | Confident | 85.7 | Confident | 150 Ų | 150 | 63.5 Ų | 63.5 | 57% | 0.566 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 139.5 | 169.8 | -68 | -178.2 | -176.9 | 130.2 | 3.9 | 109.6 | A295 D330 T357 Y359 T382 | A295-R354 CarbonylContact O-C 3.59Å; D330-R354 IonicContact OD2-NH1 3.12Å; D330-R354 PolarHBondContact OD2-NH1 2.86Å; R354-T357 HydrophobicContact CB-CG2 4.34Å; R354-T357 VanDerWaalsContact CB-OG1 3.23Å; R354-T357 WeakPolarHBondContact CB-OG1 3.43Å; R354-Y359 PolarHBondContact N-OH 2.91Å; R354-T382 WeakPolarHBondContact O-CB 3.12Å; R354-T382 PolarHBondContact O-OG1 2.97Å |
| 355 | P | 84.1 | Confident | 85.7 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 8% | 0.078 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 153.3 | 167 | -26.1 | 37.1 | 0 | 0 | 0 | 112.7 | A295 R296 T357 H383 N413 | A295-P355 HydrophobicContact CB-CG 4.48Å; A295-P355 WeakPolarHBondContact O-CA 3.09Å; R296-P355 HydrophobicContact CG-CG 4.09Å; P355-T357 PolarHBondContact O-N 3.25Å; P355-T357 VanDerWaalsContact O-N 3.12Å; P355-T357 PolarHBondContact O-OG1 2.57Å; P355-H383 VanDerWaalsContact CA-O 3.29Å; P355-H383 WeakPolarHBondContact CA-O 3.44Å; P355-H383 WeakPolarHBondContact CB-O 3.44Å; P355-N413 HydrophobicContact CB-CB 4Å; P355-N413 WeakPolarHBondContact CB-O 3.2Å; P355-N413 HydrophobicContact CG-CB 3.98Å |
| 356 | A | 82.4 | Confident | 85.6 | Confident | 45 Ų | 45 | 53.1 Ų | 53.1 | 37% | 0.372 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T382 H383 | A356-T382 VanDerWaalsContact CA-O 3.28Å; A356-T382 WeakPolarHBondContact CA-O 3.05Å; A356-T382 PolarHBondContact N-O 3.43Å; A356-T382 PolarHBondContact N-OG1 2.66Å; A356-T382 VanDerWaalsContact N-OG1 3.12Å; A356-H383 PolarHBondContact N-O 2.83Å |
| 357 | T | 82.2 | Confident | 85.5 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | trans | -126.1 | 135.2 | -175 | -61.4 | 0 | 0 | 0 | 0 | 110.6 | R354 P355 Y359 T382 | R354-T357 HydrophobicContact CB-CG2 4.34Å; R354-T357 VanDerWaalsContact CB-OG1 3.23Å; R354-T357 WeakPolarHBondContact CB-OG1 3.43Å; P355-T357 PolarHBondContact O-N 3.25Å; P355-T357 VanDerWaalsContact O-N 3.12Å; P355-T357 PolarHBondContact O-OG1 2.57Å; T357-Y359 HydrophobicContact CG2-CD2 4.14Å; T357-Y359 HydrophobicContact CG2-CE1 4.49Å; T357-Y359 HydrophobicContact CG2-CE2 3.59Å; T357-Y359 WeakPolarHBondContact O-CD2 3.29Å; T357-T382 PolarHBondContact N-OG1 3.15Å; T357-T382 PolarHBondContact O-N 2.82Å; T357-T382 PolarHBondContact O-OG1 3.34Å | ||
| 358 | D | 86.2 | Confident | 84.9 | Confident | 96 Ų | 96 | 50.7 Ų | 50.7 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 130.9 | 175.9 | -63.7 | -38.4 | 0 | 0 | 0 | 111.4 | T381 | D358-T381 WeakPolarHBondContact OD1-CB 3.38Å; D358-T381 WeakPolarHBondContact OD1-CG2 3.41Å; D358-T381 PolarHBondContact OD1-OG1 2.66Å |
| 359 | Y | 86.5 | Confident | 84.4 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.7 | -178.7 | -76 | -77.7 | 0 | 0 | 0 | 111.3 | L328 D330 L353 R354 T357 S379 F380 T382 | L328-Y359 HydrophobicContact CD1-CD1 3.76Å; L328-Y359 HydrophobicContact CD1-CG 4.23Å; L328-Y359 HydrophobicContact CD2-CD1 4.08Å; L328-Y359 HydrophobicContact CD2-CE1 4.24Å; L328-Y359 HydrophobicContact CG-CD1 4.02Å; D330-Y359 HydrophobicContact CB-CD1 4.04Å; D330-Y359 HydrophobicContact CB-CE1 3.72Å; L353-Y359 HydrophobicContact CB-CE2 3.86Å; L353-Y359 HydrophobicContact CD1-CD2 4.39Å; L353-Y359 HydrophobicContact CD1-CE2 4.42Å; L353-Y359 HydrophobicContact CD2-CD1 4.25Å; L353-Y359 HydrophobicContact CD2-CD2 4.26Å; L353-Y359 HydrophobicContact CD2-CE1 3.87Å; L353-Y359 HydrophobicContact CD2-CE2 3.88Å; L353-Y359 HydrophobicContact CD2-CG 4.42Å; L353-Y359 HydrophobicContact CG-CE2 4.29Å; R354-Y359 PolarHBondContact N-OH 2.91Å; T357-Y359 HydrophobicContact CG2-CD2 4.14Å; T357-Y359 HydrophobicContact CG2-CE1 4.49Å; T357-Y359 HydrophobicContact CG2-CE2 3.59Å; T357-Y359 WeakPolarHBondContact O-CD2 3.29Å; Y359-S379 CarbonylContact O-C 3.41Å; Y359-S379 VanDerWaalsContact O-CA 3.31Å; Y359-S379 WeakPolarHBondContact O-CA 3.3Å; Y359-F380 VanDerWaalsContact CB-CZ 3.43Å; Y359-F380 HydrophobicContact CD2-CE2 4.16Å; Y359-F380 HydrophobicContact CD2-CZ 4.27Å; Y359-F380 HydrophobicContact CG-CE2 4.38Å; Y359-F380 HydrophobicContact CG-CZ 4.05Å; Y359-F380 PolarHBondContact N-O 2.91Å; Y359-F380 PolarHBondContact O-N 2.84Å; Y359-T382 HydrophobicContact CD2-CG2 4.24Å; Y359-T382 HydrophobicContact CE2-CG2 4.21Å |
| 360 | H | 87.6 | Confident | 84 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 13% | 0.125 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.6 | 177.8 | -64.5 | -96.5 | 0 | 0 | 0 | 110.6 | L328 S329 G332 Y337 V378 | L328-H360 CarbonylContact C-O 3.6Å; L328-H360 WeakPolarHBondContact CA-O 3.47Å; S329-H360 PolarHBondContact N-O 3.41Å; S329-H360 PolarHBondContact O-N 2.83Å; G332-H360 VanDerWaalsContact CA-CD2 3.48Å; G332-H360 WeakPolarHBondContact CA-CD2 3.44Å; G332-H360 WeakPolarHBondContact CA-NE2 3.18Å; Y337-H360 HydrophobicContact CE1-CB 3.94Å; H360-V378 CarbonylContact C-O 3.6Å; H360-V378 VanDerWaalsContact CA-O 3.3Å; H360-V378 WeakPolarHBondContact CA-O 3.24Å |
| 361 | V | 87.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.8 | -177.9 | 173.1 | 0 | 0 | 0 | 0 | 111 | P288 L300 V326 A327 L328 P377 V378 F380 | P288-V361 HydrophobicContact CG-CG1 4.09Å; L300-V361 HydrophobicContact CD1-CG1 4.04Å; L300-V361 HydrophobicContact CD1-CG2 4.02Å; L300-V361 HydrophobicContact CD2-CB 4.45Å; L300-V361 HydrophobicContact CD2-CG1 4.34Å; L300-V361 HydrophobicContact CD2-CG2 4.13Å; V326-V361 HydrophobicContact CG1-CG1 3.64Å; A327-V361 WeakPolarHBondContact O-CA 3.46Å; L328-V361 HydrophobicContact CD1-CG2 3.44Å; L328-V361 VanDerWaalsContact CD1-CG2 3.44Å; V361-P377 CarbonylContact O-C 3.51Å; V361-P377 VanDerWaalsContact O-CA 3.23Å; V361-P377 WeakPolarHBondContact O-CA 3.45Å; V361-V378 HydrophobicContact CB-CG1 4Å; V361-V378 PolarHBondContact N-O 3.15Å; V361-V378 PolarHBondContact O-N 2.92Å; V361-F380 HydrophobicContact CG2-CE1 3.95Å |
| 362 | R | 89.1 | Confident | 83.5 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 21% | 0.211 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 159.8 | 168.7 | 65 | -171.4 | -172 | -170 | -1.6 | 110.3 | A327 Y337 Y364 C374 S375 P377 | A327-R362 HydrophobicContact CB-CG 4.12Å; A327-R362 PolarHBondContact N-O 3.34Å; A327-R362 PolarHBondContact O-N 3.44Å; Y337-R362 HydrophobicContact CD1-CG 3.92Å; Y337-R362 HydrophobicContact CE1-CG 3.99Å; Y337-R362 HydrophobicContact CG-CG 4.45Å; R362-Y364 PolarHBondContact NE-OH 3.06Å; R362-Y364 PolarHBondContact NH2-OH 2.68Å; R362-C374 HydrophobicContact CB-CB 4.41Å; R362-C374 HydrophobicContact CG-CB 4.18Å; R362-S375 WeakPolarHBondContact CB-O 3.42Å; R362-P377 HydrophobicContact CB-CB 4.25Å |
| 363 | V | 88.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.1 | -178.6 | -164.5 | 0 | 0 | 0 | 0 | 110 | M285 P288 W302 E325 V326 C374 S375 | M285-V363 HydrophobicContact CE-CB 4.06Å; M285-V363 HydrophobicContact CE-CG1 3.95Å; M285-V363 HydrophobicContact SD-CB 3.7Å; M285-V363 HydrophobicContact SD-CG1 4.14Å; P288-V363 HydrophobicContact CB-CG2 4.01Å; P288-V363 HydrophobicContact CG-CG2 4.01Å; W302-V363 HydrophobicContact CB-CG2 4.43Å; W302-V363 HydrophobicContact CD2-CG1 4.25Å; W302-V363 HydrophobicContact CD2-CG2 4.14Å; W302-V363 HydrophobicContact CE3-CG2 4.22Å; W302-V363 HydrophobicContact CG-CG1 4.28Å; W302-V363 HydrophobicContact CG-CG2 4.24Å; E325-V363 CarbonylContact O-C 3.58Å; E325-V363 VanDerWaalsContact O-CA 3.31Å; E325-V363 WeakPolarHBondContact O-CA 3.29Å; E325-V363 WeakPolarHBondContact O-CG1 3.49Å; V326-V363 HydrophobicContact CG1-CG2 4.34Å; V326-V363 HydrophobicContact CG2-CG1 4.1Å; V326-V363 HydrophobicContact CG2-CG2 4.11Å; V363-C374 WeakPolarHBondContact O-CA 3.24Å; V363-S375 PolarHBondContact N-OG 3.25Å; V363-S375 VanDerWaalsContact N-OG 3.14Å; V363-S375 PolarHBondContact O-N 2.87Å; V363-S375 PolarHBondContact O-OG 2.98Å |
| 364 | Y | 86.6 | Confident | 83.4 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 147.6 | 172.5 | -55.6 | -97.2 | 0 | 0 | 0 | 110.2 | Y324 E325 A327 I339 R362 K371 C374 | Y324-Y364 VanDerWaalsContact CA-O 3.29Å; Y324-Y364 WeakPolarHBondContact CA-O 3.42Å; E325-Y364 HydrophobicContact CB-CD2 4.21Å; E325-Y364 PolarHBondContact N-O 3.42Å; E325-Y364 PolarHBondContact O-N 3.08Å; A327-Y364 HydrophobicContact CB-CE2 4.02Å; I339-Y364 HydrophobicContact CD1-CD2 4.44Å; I339-Y364 HydrophobicContact CD1-CE2 4.08Å; R362-Y364 PolarHBondContact NE-OH 3.06Å; R362-Y364 PolarHBondContact NH2-OH 2.68Å; Y364-K371 VanDerWaalsContact CB-CE 3.45Å; Y364-C374 HydrophobicContact CD1-CB 3.68Å; Y364-C374 HydrophobicContact CE1-CB 3.44Å; Y364-C374 VanDerWaalsContact CE1-CB 3.44Å; Y364-C374 HydrophobicContact CE2-CB 4.4Å; Y364-C374 HydrophobicContact CG-CB 4.28Å |
| 365 | A | 84.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 140.5 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | L282 M285 P305 Y324 G372 | L282-A365 HydrophobicContact CD2-CB 4.25Å; M285-A365 HydrophobicContact CE-CB 3.82Å; P305-A365 HydrophobicContact CG-CB 3.48Å; P305-A365 VanDerWaalsContact CG-CB 3.48Å; Y324-A365 HydrophobicContact CD1-CB 4.34Å; Y324-A365 HydrophobicContact CE1-CB 4.22Å; A365-G372 PolarHBondContact O-N 2.9Å |
| 366 | I | 83.9 | Confident | 83.5 | Confident | 27 Ų | 27 | 43.7 Ų | 43.7 | 14% | 0.138 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 132.2 | -175.1 | -54.7 | 177.7 | 0 | 0 | 0 | 109.6 | T323 E325 V370 K371 | T323-I366 PolarHBondContact N-O 3.14Å; T323-I366 PolarHBondContact O-N 2.9Å; T323-I366 PolarHBondContact OG1-O 3.32Å; E325-I366 HydrophobicContact CG-CD1 3.82Å; I366-V370 WeakPolarHBondContact CA-O 3.38Å; I366-V370 WeakPolarHBondContact CG2-O 3.5Å; I366-K371 HydrophobicContact CD1-CD 3.85Å; I366-K371 HydrophobicContact CD1-CG 4.29Å; I366-K371 HydrophobicContact CG1-CB 4.08Å; I366-K371 HydrophobicContact CG1-CD 4Å; I366-K371 HydrophobicContact CG1-CG 3.88Å |
| 367 | Y | 81.9 | Confident | 83.5 | Confident | 18 Ų | 18 | 42.7 Ų | 42.7 | 7% | 0.071 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 131.9 | 178.6 | -179.8 | -91.6 | 0 | 0 | 0 | 110.8 | V278 L318 P319 T321 S369 V370 | V278-Y367 HydrophobicContact CG1-CD1 4.17Å; L318-Y367 HydrophobicContact CB-CE1 3.95Å; L318-Y367 HydrophobicContact CD1-CD1 4.21Å; L318-Y367 HydrophobicContact CD1-CE1 3.76Å; L318-Y367 HydrophobicContact CD2-CE1 4.01Å; L318-Y367 HydrophobicContact CG-CE1 4.11Å; P319-Y367 VanDerWaalsContact CD-OH 3.23Å; P319-Y367 WeakPolarHBondContact CD-OH 3.28Å; P319-Y367 WeakPolarHBondContact CG-OH 3.48Å; P319-Y367 VanDerWaalsContact O-CE2 3.25Å; P319-Y367 WeakPolarHBondContact O-CE2 3.11Å; T321-Y367 WeakPolarHBondContact O-CD2 3.33Å; Y367-S369 PolarHBondContact O-N 2.71Å; Y367-S369 VanDerWaalsContact O-N 3.15Å; Y367-V370 PolarHBondContact N-O 2.94Å; Y367-V370 WeakPolarHBondContact O-CA 3.16Å; Y367-V370 WeakPolarHBondContact O-CB 3.33Å; Y367-V370 PolarHBondContact O-N 2.75Å |
| 368 | N | 75.9 | Confident | 83.8 | Confident | 118 Ų | 118 | 42.6 Ų | 42.6 | 63% | 0.631 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 42.5 | 47.1 | -176.9 | -73 | -2 | 0 | 0 | 0 | 114 | V370 | N368-V370 PolarHBondContact O-N 3.46Å; N368-V370 VanDerWaalsContact O-N 3.08Å |
| 369 | S | 77.3 | Confident | 83.8 | Confident | 124 Ų | 124 | 41.6 Ų | 41.6 | 87% | 0.867 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | -2 | -175.5 | -49.3 | 0 | 0 | 0 | 0 | 116.6 | Y367 | Y367-S369 PolarHBondContact O-N 2.71Å; Y367-S369 VanDerWaalsContact O-N 3.15Å |
| 370 | V | 79.6 | Confident | 83.8 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 135.1 | 167.8 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | T275 V278 Q279 L282 I366 Y367 N368 | T275-V370 HydrophobicContact CG2-CG1 4.45Å; T275-V370 HydrophobicContact CG2-CG2 3.72Å; V278-V370 HydrophobicContact CB-CG1 4.43Å; V278-V370 HydrophobicContact CG1-CB 4.15Å; V278-V370 HydrophobicContact CG1-CG1 4.26Å; V278-V370 HydrophobicContact CG1-CG2 4.33Å; Q279-V370 HydrophobicContact CB-CG1 3.69Å; Q279-V370 HydrophobicContact CG-CG1 4.23Å; L282-V370 HydrophobicContact CD1-CB 4.13Å; L282-V370 HydrophobicContact CD1-CG1 4.12Å; L282-V370 VanDerWaalsContact CD1-O 3.29Å; L282-V370 WeakPolarHBondContact CD1-O 3.23Å; I366-V370 WeakPolarHBondContact CA-O 3.38Å; I366-V370 WeakPolarHBondContact CG2-O 3.5Å; Y367-V370 PolarHBondContact N-O 2.94Å; Y367-V370 WeakPolarHBondContact O-CA 3.16Å; Y367-V370 WeakPolarHBondContact O-CB 3.33Å; Y367-V370 PolarHBondContact O-N 2.75Å; N368-V370 PolarHBondContact O-N 3.46Å; N368-V370 VanDerWaalsContact O-N 3.08Å |
| 371 | K | 82.2 | Confident | 83.7 | Confident | 66 Ų | 66 | 43.6 Ų | 43.6 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.2 | -177.4 | 175.8 | 163.4 | -175.1 | 174.9 | 0 | 110.9 | Q279 E325 Y364 I366 | Q279-K371 PolarHBondContact NE2-O 2.78Å; E325-K371 IonicContact OE2-NZ 3.14Å; E325-K371 PolarHBondContact OE2-NZ 3.03Å; Y364-K371 VanDerWaalsContact CB-CE 3.45Å; I366-K371 HydrophobicContact CD1-CD 3.85Å; I366-K371 HydrophobicContact CD1-CG 4.29Å; I366-K371 HydrophobicContact CG1-CB 4.08Å; I366-K371 HydrophobicContact CG1-CD 4Å; I366-K371 HydrophobicContact CG1-CG 3.88Å |
| 372 | G | 81 | Confident | 83.6 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 172.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S283 A365 | S283-G372 WeakPolarHBondContact OG-CA 3.33Å; A365-G372 PolarHBondContact O-N 2.9Å |
| 373 | A | 82.1 | Confident | 83.4 | Confident | 54 Ų | 54 | 46.5 Ų | 46.5 | 45% | 0.446 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 161.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S283 | S283-A373 PolarHBondContact OG-N 2.83Å |
| 374 | C | 81.3 | Confident | 83.2 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 31% | 0.311 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 148.7 | 170 | 48 | 0 | 0 | 0 | 0 | 111.5 | R362 V363 Y364 | R362-C374 HydrophobicContact CB-CB 4.41Å; R362-C374 HydrophobicContact CG-CB 4.18Å; V363-C374 WeakPolarHBondContact O-CA 3.24Å; Y364-C374 HydrophobicContact CD1-CB 3.68Å; Y364-C374 HydrophobicContact CE1-CB 3.44Å; Y364-C374 VanDerWaalsContact CE1-CB 3.44Å; Y364-C374 HydrophobicContact CE2-CB 4.4Å; Y364-C374 HydrophobicContact CG-CB 4.28Å |
| 375 | S | 85.8 | Confident | 83.2 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 160.5 | 164 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | M285 E286 R362 V363 | M285-S375 WeakPolarHBondContact O-CB 3.46Å; E286-S375 WeakPolarHBondContact O-CB 3.43Å; E286-S375 PolarHBondContact O-OG 2.83Å; R362-S375 WeakPolarHBondContact CB-O 3.42Å; V363-S375 PolarHBondContact N-OG 3.25Å; V363-S375 VanDerWaalsContact N-OG 3.14Å; V363-S375 PolarHBondContact O-N 2.87Å; V363-S375 PolarHBondContact O-OG 2.98Å |
| 376 | E | 82 | Confident | 83.2 | Confident | 125 Ų | 125 | 49.1 Ų | 49.1 | 58% | 0.584 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 131.8 | 174.8 | -91.7 | -65 | 133.1 | 0 | 0 | 111.5 | K287 K333 V378 | K287-E376 HydrophobicContact CB-CB 4.22Å; K287-E376 WeakPolarHBondContact CB-O 3.31Å; K333-E376 IonicContact NZ-OE2 2.66Å; K333-E376 PolarHBondContact NZ-OE2 3.22Å; E376-V378 PolarHBondContact O-N 2.84Å |
| 377 | P | 83.2 | Confident | 83.4 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 16% | 0.156 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 125.4 | -175 | 27.3 | -34.2 | 0 | 0 | 0 | 112.8 | K333 Y337 V361 R362 | K333-P377 HydrophobicContact CD-CG 4.02Å; K333-P377 HydrophobicContact CG-CG 4.12Å; Y337-P377 HydrophobicContact CE1-CB 4.37Å; Y337-P377 WeakPolarHBondContact OH-CB 3.35Å; V361-P377 CarbonylContact O-C 3.51Å; V361-P377 VanDerWaalsContact O-CA 3.23Å; V361-P377 WeakPolarHBondContact O-CA 3.45Å; R362-P377 HydrophobicContact CB-CB 4.25Å |
| 378 | V | 88.2 | Confident | 83.7 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 17% | 0.17 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 153.7 | 167.3 | 76.7 | 0 | 0 | 0 | 0 | 110.2 | P288 V290 H360 V361 E376 | P288-V378 HydrophobicContact CB-CG1 4.48Å; P288-V378 HydrophobicContact CG-CB 4.36Å; P288-V378 HydrophobicContact CG-CG1 3.78Å; P288-V378 WeakPolarHBondContact O-CB 3.29Å; V290-V378 HydrophobicContact CG2-CB 4.23Å; V290-V378 HydrophobicContact CG2-CG1 3.39Å; V290-V378 HydrophobicContact CG2-CG2 3.75Å; H360-V378 CarbonylContact C-O 3.6Å; H360-V378 VanDerWaalsContact CA-O 3.3Å; H360-V378 WeakPolarHBondContact CA-O 3.24Å; V361-V378 HydrophobicContact CB-CG1 4Å; V361-V378 PolarHBondContact N-O 3.15Å; V361-V378 PolarHBondContact O-N 2.92Å; E376-V378 PolarHBondContact O-N 2.84Å |
| 379 | S | 86.1 | Confident | 84.3 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 52% | 0.524 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.5 | -178.8 | 55.9 | 0 | 0 | 0 | 0 | 111.7 | Y359 | Y359-S379 CarbonylContact O-C 3.41Å; Y359-S379 VanDerWaalsContact O-CA 3.31Å; Y359-S379 WeakPolarHBondContact O-CA 3.3Å |
| 380 | F | 86.6 | Confident | 84.9 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 157.4 | 176.6 | 70.2 | -86.2 | 0 | 0 | 0 | 111.7 | V290 I293 V298 L300 L350 L353 Y359 V361 T382 | V290-F380 HydrophobicContact CG1-CB 3.9Å; V290-F380 HydrophobicContact CG1-CD1 3.84Å; V290-F380 HydrophobicContact CG1-CD2 4.41Å; V290-F380 HydrophobicContact CG1-CG 3.79Å; V290-F380 HydrophobicContact CG2-CD1 4.12Å; I293-F380 HydrophobicContact CD1-CB 3.95Å; I293-F380 HydrophobicContact CG1-CD2 4.38Å; I293-F380 HydrophobicContact CG2-CD2 4.36Å; V298-F380 HydrophobicContact CB-CE2 4.03Å; V298-F380 HydrophobicContact CB-CZ 4.32Å; V298-F380 HydrophobicContact CG1-CE1 4.29Å; V298-F380 HydrophobicContact CG1-CE2 3.83Å; V298-F380 HydrophobicContact CG1-CZ 3.61Å; V298-F380 HydrophobicContact CG2-CD2 4.24Å; V298-F380 HydrophobicContact CG2-CE2 4.16Å; L300-F380 HydrophobicContact CD2-CE1 4.39Å; L350-F380 HydrophobicContact CD2-CZ 4.31Å; L353-F380 HydrophobicContact CD1-CE2 3.71Å; L353-F380 HydrophobicContact CD1-CZ 3.85Å; Y359-F380 VanDerWaalsContact CB-CZ 3.43Å; Y359-F380 HydrophobicContact CD2-CE2 4.16Å; Y359-F380 HydrophobicContact CD2-CZ 4.27Å; Y359-F380 HydrophobicContact CG-CE2 4.38Å; Y359-F380 HydrophobicContact CG-CZ 4.05Å; Y359-F380 PolarHBondContact N-O 2.91Å; Y359-F380 PolarHBondContact O-N 2.84Å; V361-F380 HydrophobicContact CG2-CE1 3.95Å; F380-T382 HydrophobicContact CE2-CG2 4.23Å |
| 381 | T | 84.3 | Confident | 85.4 | Confident | 73 Ų | 73 | 50 Ų | 50 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126.2 | -179.1 | -45.2 | 0 | 0 | 0 | 0 | 109.5 | I293 D358 | I293-T381 WeakPolarHBondContact CG2-O 3.23Å; D358-T381 WeakPolarHBondContact OD1-CB 3.38Å; D358-T381 WeakPolarHBondContact OD1-CG2 3.41Å; D358-T381 PolarHBondContact OD1-OG1 2.66Å |
| 382 | T | 85.2 | Confident | 85.7 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 154.5 | 176.1 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | Q294 L353 R354 A356 T357 Y359 F380 | Q294-T382 WeakPolarHBondContact O-CB 3.37Å; L353-T382 HydrophobicContact CB-CG2 3.87Å; L353-T382 HydrophobicContact CD1-CG2 3.79Å; R354-T382 WeakPolarHBondContact O-CB 3.12Å; R354-T382 PolarHBondContact O-OG1 2.97Å; A356-T382 VanDerWaalsContact CA-O 3.28Å; A356-T382 WeakPolarHBondContact CA-O 3.05Å; A356-T382 PolarHBondContact N-O 3.43Å; A356-T382 PolarHBondContact N-OG1 2.66Å; A356-T382 VanDerWaalsContact N-OG1 3.12Å; T357-T382 PolarHBondContact N-OG1 3.15Å; T357-T382 PolarHBondContact O-N 2.82Å; T357-T382 PolarHBondContact O-OG1 3.34Å; Y359-T382 HydrophobicContact CD2-CG2 4.24Å; Y359-T382 HydrophobicContact CE2-CG2 4.21Å; F380-T382 HydrophobicContact CE2-CG2 4.23Å |
| 383 | H | 84.8 | Confident | 86.1 | Confident | 113 Ų | 113 | 48.6 Ų | 48.6 | 52% | 0.523 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 161.5 | 175.6 | -60.4 | 166 | 0 | 0 | 0 | 112.3 | I293 Q294 A295 P355 A356 | I293-H383 PolarHBondContact O-CE1 2.94Å; I293-H383 VanDerWaalsContact O-CE1 3.31Å; Q294-H383 PolarHBondContact O-N 3.14Å; A295-H383 VanDerWaalsContact CA-O 3.29Å; A295-H383 WeakPolarHBondContact CA-O 3.41Å; A295-H383 HydrophobicContact CB-CB 4.35Å; A295-H383 WeakPolarHBondContact CB-O 3.47Å; P355-H383 VanDerWaalsContact CA-O 3.29Å; P355-H383 WeakPolarHBondContact CA-O 3.44Å; P355-H383 WeakPolarHBondContact CB-O 3.44Å; A356-H383 PolarHBondContact N-O 2.83Å |
| 384 | S | 85.2 | Confident | 86.3 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 162 | 170.6 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | N413 G414 | S384-N413 WeakPolarHBondContact CA-O 3.33Å; S384-N413 WeakPolarHBondContact CB-O 3.37Å; S384-G414 PolarHBondContact OG-O 2.89Å |
| 385 | S | 85.9 | Confident | 86.5 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | trans | -135.4 | 176.2 | 172.7 | 76.9 | 0 | 0 | 0 | 0 | 112.7 | N413 N463 | S385-N413 PolarHBondContact N-O 3.46Å; S385-N413 VanDerWaalsContact N-O 3.09Å; S385-N413 VanDerWaalsContact OG-CB 3.23Å; S385-N413 WeakPolarHBondContact OG-CB 3.35Å; S385-N463 PolarHBondContact O-ND2 2.86Å | ||
| 386 | A | 84.8 | Confident | 86.5 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 25% | 0.248 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 158.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N413 | A386-N413 PolarHBondContact O-ND2 2.89Š|
| 387 | P | 88.5 | Confident | 86.3 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 162.6 | -176.4 | -20 | 34.2 | 0 | 0 | 0 | 112.9 | P410 I411 I417 A461 N463 G466 S468 | P387-P410 HydrophobicContact CB-CG 4.43Å; P387-I411 WeakPolarHBondContact CA-O 3.3Å; P387-I417 HydrophobicContact CB-CD1 4.16Å; P387-I417 HydrophobicContact CB-CG1 4.1Å; P387-I417 HydrophobicContact CG-CD1 4.5Å; P387-I417 HydrophobicContact CG-CG1 3.92Å; P387-A461 HydrophobicContact CB-CB 4.23Å; P387-A461 HydrophobicContact CG-CB 4.48Å; P387-N463 HydrophobicContact CG-CB 3.86Å; P387-G466 WeakPolarHBondContact CD-O 3.38Å; P387-S468 WeakPolarHBondContact O-CB 3.39Å |
| 388 | E | 88 | Confident | 86.4 | Confident | 86 Ų | 86 | 61.4 Ų | 61.4 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 156.4 | 167.5 | -65.1 | -165.1 | 146.7 | 0 | 0 | 111.9 | P410 I411 N413 S468 | E388-P410 HydrophobicContact CB-CB 4.19Å; E388-P410 WeakPolarHBondContact O-CB 3.3Å; E388-P410 VanDerWaalsContact O-CG 3.25Å; E388-P410 WeakPolarHBondContact O-CG 3.3Å; E388-I411 HydrophobicContact CB-CB 4.49Å; E388-I411 HydrophobicContact CG-CB 4.06Å; E388-I411 PolarHBondContact N-O 2.83Å; E388-I411 WeakPolarHBondContact OE2-CD1 3.47Å; E388-N413 PolarHBondContact N-ND2 2.9Å; E388-S468 WeakPolarHBondContact O-CB 3.47Å |
| 389 | C | 88.5 | Confident | 86 | Confident | 69 Ų | 69 | 62.3 Ų | 62.3 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 127 | 172.8 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | Y470 | C389-Y470 VanDerWaalsContact SG-C 3.54Å; C389-Y470 PolarHBondContact SG-O 3.02Å |
| 390 | P | 90.6 | Very high | 85.5 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.019 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 154.7 | 179.5 | 32.1 | -35.9 | 0 | 0 | 0 | 112.1 | P410 L459 S468 S471 | P390-P410 HydrophobicContact CB-CB 4.39Å; P390-P410 HydrophobicContact CB-CG 4.03Å; P390-L459 HydrophobicContact CB-CD2 3.92Å; P390-L459 HydrophobicContact CB-CG 4.3Å; P390-L459 HydrophobicContact CG-CB 4.19Å; P390-L459 HydrophobicContact CG-CD2 3.99Å; P390-L459 HydrophobicContact CG-CG 3.82Å; P390-L459 WeakPolarHBondContact CG-O 3.26Å; P390-S468 WeakPolarHBondContact CD-OG 3.28Å; P390-S471 WeakPolarHBondContact O-CB 3.24Å |
| 391 | F | 89.1 | Confident | 85.1 | Confident | 163 Ų | 163 | 65.8 Ų | 65.8 | 72% | 0.715 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 149.9 | 169 | -68.1 | -77.4 | 0 | 0 | 0 | 111.2 | ||
| 392 | P | 88.1 | Confident | 85 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 25% | 0.253 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -55 | 142.2 | 179.5 | -26.7 | 35 | 0 | 0 | 0 | 113 | Q472 V474 | P392-Q472 HydrophobicContact CG-CB 3.88Å; P392-Q472 WeakPolarHBondContact CG-O 3.18Å; P392-V474 HydrophobicContact CB-CB 4.21Å; P392-V474 HydrophobicContact CB-CG1 4.03Å |
| 393 | P | 89.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 146.2 | 178.6 | 28.7 | -35.3 | 0 | 0 | 0 | 111 | L405 W407 L422 F457 L459 V474 | P393-L405 HydrophobicContact CB-CB 4.27Å; P393-W407 HydrophobicContact CB-CE3 3.99Å; P393-L422 HydrophobicContact CB-CD1 4.27Å; P393-L422 HydrophobicContact CG-CD1 3.85Å; P393-F457 HydrophobicContact CG-CB 4.01Å; P393-L459 HydrophobicContact CG-CB 4.5Å; P393-V474 HydrophobicContact CG-CG1 3.86Å; P393-V474 WeakPolarHBondContact O-CG1 3.43Å |
| 394 | K | 86.2 | Confident | 85.3 | Confident | 153 Ų | 153 | 58.2 Ų | 58.2 | 67% | 0.665 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 138.6 | -179.8 | -63.5 | -168.8 | 176.7 | -168.2 | 0 | 111.3 | S396 L405 Q406 | K394-S396 PolarHBondContact O-N 3.25Å; K394-L405 CarbonylContact O-C 3.53Å; K394-L405 WeakPolarHBondContact O-CA 3.31Å; K394-Q406 PolarHBondContact N-O 3.04Å; K394-Q406 PolarHBondContact O-N 3.21Å |
| 395 | P | 86.7 | Confident | 85.6 | Confident | 75 Ų | 75 | 56.2 Ų | 56.2 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 125.6 | 172 | 28.7 | -32.2 | 0 | 0 | 0 | 110 | T404 L405 | P395-T404 WeakPolarHBondContact CA-O 3.24Å; P395-L405 HydrophobicContact CB-CD2 4.3Å |
| 396 | S | 84.7 | Confident | 85.8 | Confident | 69 Ų | 69 | 60.4 Ų | 60.4 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -30.3 | 175.3 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | K394 T404 | K394-S396 PolarHBondContact O-N 3.25Å; S396-T404 PolarHBondContact N-O 2.97Å; S396-T404 PolarHBondContact OG-O 3.38Å |
| 397 | H | 77.9 | Confident | 86.2 | Confident | 117 Ų | 117 | 59.8 Ų | 59.8 | 54% | 0.542 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 127.1 | 175.2 | -168.7 | -34.6 | 0 | 0 | 0 | 110.1 | T404 | H397-T404 PolarHBondContact O-N 3.29Å |
| 398 | R | 84.4 | Confident | 86.2 | Confident | 110 Ų | 110 | 67.3 Ų | 67.3 | 42% | 0.415 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 151.6 | 168.7 | 68.8 | 174.5 | -170.5 | -113.3 | 5.4 | 111.4 | L403 Y477 A479 E562 | R398-L403 HydrophobicContact CB-CD2 3.8Å; R398-Y477 WeakPolarHBondContact CD-O 3.46Å; R398-A479 HydrophobicContact CG-CB 4.11Å; R398-E562 IonicContact CZ-OE1 2.59Å; R398-E562 VanDerWaalsContact CZ-OE1 3.27Å; R398-E562 IonicContact NE-OE1 2.65Å; R398-E562 PolarHBondContact NE-OE1 3.37Å; R398-E562 IonicContact NE-OE2 2.97Å; R398-E562 IonicContact NH2-OE1 3.95Å; R398-E562 PolarHBondContact NH2-OE1 3.16Å; R398-E562 IonicContact NH2-OE2 3.37Å |
| 399 | T | 80.2 | Confident | 86.2 | Confident | 46 Ų | 46 | 65.2 Ų | 65.2 | 28% | 0.282 | 34% | 0.335 | S | S | . | . | trans | -136.9 | 178.4 | 162.4 | 78.1 | 0 | 0 | 0 | 0 | 108 | S401 S402 T478 A479 | T399-S401 PolarHBondContact O-N 2.93Å; T399-S401 VanDerWaalsContact O-N 3.13Å; T399-S401 PolarHBondContact OG1-N 2.85Å; T399-S402 WeakPolarHBondContact CG2-OG 3.43Å; T399-S402 PolarHBondContact N-O 2.87Å; T399-S402 PolarHBondContact OG1-N 3.03Å; T399-S402 PolarHBondContact OG1-OG 2.69Å; T399-T478 WeakPolarHBondContact O-CB 3.14Å; T399-A479 VanDerWaalsContact C-CB 3.41Å; T399-A479 PolarHBondContact O-N 2.89Å | ||
| 400 | K | 75.2 | Confident | 86.2 | Confident | 97 Ų | 97 | 62.8 Ų | 62.8 | 42% | 0.422 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -62.3 | -17.1 | 177.1 | -56.2 | -166.5 | -173.6 | -170.4 | 0 | 113.6 | C450 P451 A479 G480 N481 | K400-C450 CarbonylContact O-C 3.51Å; K400-P451 HydrophobicContact CB-CB 4.23Å; K400-P451 HydrophobicContact CB-CG 4.23Å; K400-P451 WeakPolarHBondContact O-CA 3.48Å; K400-P451 WeakPolarHBondContact O-CG 3.1Å; K400-A479 HydrophobicContact CG-CB 4.27Å; K400-G480 WeakPolarHBondContact CE-O 3.5Å; K400-N481 PolarHBondContact NZ-OD1 2.84Å |
| 401 | S | 78.1 | Confident | 86.1 | Confident | 63 Ų | 63 | 67.5 Ų | 67.5 | 44% | 0.441 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -140.4 | 13.5 | -176.7 | 61.5 | 0 | 0 | 0 | 0 | 115.3 | T399 T447 K448 L449 | T399-S401 PolarHBondContact O-N 2.93Å; T399-S401 VanDerWaalsContact O-N 3.13Å; T399-S401 PolarHBondContact OG1-N 2.85Å; S401-T447 CarbonylContact O-C 3.53Å; S401-T447 WeakPolarHBondContact O-CA 3.49Å; S401-K448 PolarHBondContact O-N 2.99Å; S401-L449 VanDerWaalsContact CA-O 3.32Å; S401-L449 WeakPolarHBondContact CA-O 3.17Å; S401-L449 WeakPolarHBondContact CB-O 3.49Å; S401-L449 PolarHBondContact O-N 2.89Å |
| 402 | S | 83.4 | Confident | 85.9 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 142.1 | 177 | 71.7 | 0 | 0 | 0 | 0 | 113.4 | T399 L446 | T399-S402 WeakPolarHBondContact CG2-OG 3.43Å; T399-S402 PolarHBondContact N-O 2.87Å; T399-S402 PolarHBondContact OG1-N 3.03Å; T399-S402 PolarHBondContact OG1-OG 2.69Å; S402-L446 CarbonylContact C-O 3.46Å; S402-L446 WeakPolarHBondContact CA-O 3.19Å; S402-L446 WeakPolarHBondContact CB-O 3.39Å |
| 403 | L | 86.5 | Confident | 85.8 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130 | 169.9 | -80.8 | 171.2 | 0 | 0 | 0 | 109.8 | R398 L446 L449 Y455 F457 C476 T478 | R398-L403 HydrophobicContact CB-CD2 3.8Å; L403-L446 PolarHBondContact N-O 3.19Å; L403-L446 PolarHBondContact O-N 3.08Å; L403-L449 HydrophobicContact CB-CD1 3.79Å; L403-L449 HydrophobicContact CD1-CD1 3.83Å; L403-L449 HydrophobicContact CG-CD1 3.78Å; L403-Y455 HydrophobicContact CD1-CD2 4.26Å; L403-F457 HydrophobicContact CD1-CE2 4.04Å; L403-F457 HydrophobicContact CD1-CZ 4.19Å; L403-C476 HydrophobicContact CD1-CB 3.98Å; L403-C476 HydrophobicContact CD2-CB 4.41Å; L403-T478 HydrophobicContact CD1-CG2 4.42Å; L403-T478 HydrophobicContact CG-CG2 4.19Å |
| 404 | T | 89.4 | Confident | 85.2 | Confident | 22 Ų | 22 | 63.5 Ų | 63.5 | 14% | 0.135 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.6 | 170.8 | -45.7 | 0 | 0 | 0 | 0 | 108.5 | P395 S396 H397 C444 K445 | P395-T404 WeakPolarHBondContact CA-O 3.24Å; S396-T404 PolarHBondContact N-O 2.97Å; S396-T404 PolarHBondContact OG-O 3.38Å; H397-T404 PolarHBondContact O-N 3.29Å; T404-C444 CarbonylContact C-O 3.58Å; T404-C444 WeakPolarHBondContact CA-O 3.32Å; T404-K445 HydrophobicContact CG2-CB 4.23Å |
| 405 | L | 91 | Very high | 85.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 142.6 | -179.4 | -67.7 | 173 | 0 | 0 | 0 | 109.7 | P393 K394 P395 W407 L422 H443 C444 L446 F457 C476 | P393-L405 HydrophobicContact CB-CB 4.27Å; K394-L405 CarbonylContact O-C 3.53Å; K394-L405 WeakPolarHBondContact O-CA 3.31Å; P395-L405 HydrophobicContact CB-CD2 4.3Å; L405-W407 HydrophobicContact CB-CZ3 4.22Å; L405-L422 HydrophobicContact CD1-CD2 4.06Å; L405-H443 CarbonylContact O-C 3.56Å; L405-H443 WeakPolarHBondContact O-CA 3.46Å; L405-H443 WeakPolarHBondContact O-CB 3.44Å; L405-C444 PolarHBondContact N-O 3.17Å; L405-C444 PolarHBondContact O-N 2.82Å; L405-L446 HydrophobicContact CD1-CD1 4.31Å; L405-F457 HydrophobicContact CD1-CB 4.32Å; L405-F457 HydrophobicContact CD1-CD1 3.52Å; L405-F457 HydrophobicContact CD1-CD2 3.81Å; L405-F457 HydrophobicContact CD1-CE1 3.7Å; L405-F457 HydrophobicContact CD1-CE2 3.96Å; L405-F457 HydrophobicContact CD1-CG 3.58Å; L405-F457 HydrophobicContact CD1-CZ 3.91Å; L405-C476 HydrophobicContact CD2-CB 4.48Å |
| 406 | Q | 91.5 | Very high | 85.1 | Confident | 108 Ų | 108 | 61.1 Ų | 61.1 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 143.8 | -178.8 | -173.3 | 176.8 | 21.8 | 0 | 0 | 110.9 | K394 H443 | K394-Q406 PolarHBondContact N-O 3.04Å; K394-Q406 PolarHBondContact O-N 3.21Å; Q406-H443 HydrophobicContact CB-CB 4.22Å; Q406-H443 HydrophobicContact CG-CB 4.21Å |
| 407 | W | 92.9 | Very high | 85.2 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 6% | 0.064 | 31% | 0.306 | C | S | . | . | trans | -138.3 | 171.7 | -177.8 | 50.6 | 96.1 | 0 | 0 | 0 | 112.4 | P393 L405 Y420 L422 Y437 Q441 K442 C444 L459 | P393-W407 HydrophobicContact CB-CE3 3.99Å; L405-W407 HydrophobicContact CB-CZ3 4.22Å; W407-Y420 AromaticContact CD1-CD1 3.83Å; W407-Y420 HydrophobicContact CZ2-CG 4.4Å; W407-Y420 AromaticContact NE1-CD1 3.39Å; W407-Y420 AromaticContact NE1-CD2 3.52Å; W407-Y420 AromaticContact NE1-CE1 3.88Å; W407-Y420 AromaticContact NE1-CG 3.2Å; W407-L422 HydrophobicContact CH2-CD2 4.11Å; W407-L422 HydrophobicContact CZ3-CD2 3.98Å; W407-Y437 AromaticContact CH2-CD1 3.94Å; W407-Y437 HydrophobicContact CH2-CD1 3.94Å; W407-Y437 HydrophobicContact CH2-CE1 4.01Å; W407-Y437 HydrophobicContact CZ2-CD1 4.07Å; W407-Y437 AromaticContact CZ2-CE1 3.75Å; W407-Y437 HydrophobicContact CZ2-CE1 3.75Å; W407-Q441 WeakPolarHBondContact CZ2-O 3.12Å; W407-K442 PolarHBondContact N-O 3.1Å; W407-C444 HydrophobicContact CH2-CB 3.82Å; W407-C444 HydrophobicContact CZ3-CB 4.15Å; W407-L459 HydrophobicContact CB-CD2 3.55Å; W407-L459 HydrophobicContact CD2-CD1 4.01Å; W407-L459 HydrophobicContact CD2-CD2 3.8Å; W407-L459 HydrophobicContact CE3-CD1 4.44Å; W407-L459 HydrophobicContact CE3-CD2 4.45Å; W407-L459 HydrophobicContact CG-CD1 4.39Å; W407-L459 HydrophobicContact CG-CD2 3.38Å; W407-L459 HydrophobicContact CH2-CD1 4.5Å; W407-L459 HydrophobicContact CZ2-CD1 4.08Å | ||
| 408 | K | 88.6 | Confident | 85.8 | Confident | 166 Ų | 166 | 57 Ų | 57 | 72% | 0.722 | 30% | 0.299 | S | S | * | . | trans | -102.7 | 156.1 | 170 | -68 | -172.7 | 177.4 | -175.2 | 0 | 109.3 | ||||
| 409 | A | 87.8 | Confident | 86.1 | Confident | 43 Ų | 43 | 52.1 Ų | 52.1 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | trans | -69.1 | 136.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | I417 Y420 | A409-I417 HydrophobicContact CB-CD1 4.48Å; A409-Y420 VanDerWaalsContact CB-OH 3.28Å; A409-Y420 WeakPolarHBondContact CB-OH 3.45Å | ||
| 410 | P | 88.6 | Confident | 86.7 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 12% | 0.117 | 27% | 0.269 | C | S | . | . | trans | -72.1 | 178.4 | 162.6 | 30.5 | -31 | 0 | 0 | 0 | 111 | P387 E388 P390 I417 A461 | P387-P410 HydrophobicContact CB-CG 4.43Å; E388-P410 HydrophobicContact CB-CB 4.19Å; E388-P410 WeakPolarHBondContact O-CB 3.3Å; E388-P410 VanDerWaalsContact O-CG 3.25Å; E388-P410 WeakPolarHBondContact O-CG 3.3Å; P390-P410 HydrophobicContact CB-CB 4.39Å; P390-P410 HydrophobicContact CB-CG 4.03Å; P410-I417 HydrophobicContact CG-CD1 3.7Å; P410-I417 WeakPolarHBondContact O-CD1 3.25Å; P410-A461 HydrophobicContact CG-CB 3.56Å | ||
| 411 | I | 87.3 | Confident | 87.5 | Confident | 101 Ų | 101 | 46.9 Ų | 46.9 | 52% | 0.518 | 26% | 0.256 | S | S | . | . | trans | -69.4 | 135.3 | 172 | -58.5 | -177.8 | 0 | 0 | 0 | 109 | P387 E388 | P387-I411 WeakPolarHBondContact CA-O 3.3Å; E388-I411 HydrophobicContact CB-CB 4.49Å; E388-I411 HydrophobicContact CG-CB 4.06Å; E388-I411 PolarHBondContact N-O 2.83Å; E388-I411 WeakPolarHBondContact OE2-CD1 3.47Å | ||
| 412 | D | 85.8 | Confident | 88.2 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 34% | 0.342 | 24% | 0.235 | S | C | . | . | trans | -88 | -8.8 | -170.4 | 72.2 | -0.8 | 0 | 0 | 0 | 114.2 | G414 S415 I417 N463 | D412-G414 PolarHBondContact O-N 3.04Å; D412-G414 PolarHBondContact OD1-N 2.94Å; D412-S415 WeakPolarHBondContact CB-O 3.42Å; D412-S415 PolarHBondContact O-N 2.84Å; D412-I417 HydrophobicContact CB-CD1 4.22Å; D412-I417 HydrophobicContact CB-CG1 3.85Å; D412-N463 PolarHBondContact O-ND2 2.91Å | ||
| 413 | N | 85.3 | Confident | 88.6 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 6% | 0.064 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 35.6 | 179.1 | -65.5 | -45.3 | 0 | 0 | 0 | 113.9 | P355 S384 S385 A386 E388 | P355-N413 HydrophobicContact CB-CB 4Å; P355-N413 WeakPolarHBondContact CB-O 3.2Å; P355-N413 HydrophobicContact CG-CB 3.98Å; S384-N413 WeakPolarHBondContact CA-O 3.33Å; S384-N413 WeakPolarHBondContact CB-O 3.37Å; S385-N413 PolarHBondContact N-O 3.46Å; S385-N413 VanDerWaalsContact N-O 3.09Å; S385-N413 VanDerWaalsContact OG-CB 3.23Å; S385-N413 WeakPolarHBondContact OG-CB 3.35Å; A386-N413 PolarHBondContact O-ND2 2.89Å; E388-N413 PolarHBondContact N-ND2 2.9Å |
| 414 | G | 77.9 | Confident | 88.8 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -3.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116 | S384 D412 | S384-G414 PolarHBondContact OG-O 2.89Å; D412-G414 PolarHBondContact O-N 3.04Å; D412-G414 PolarHBondContact OD1-N 2.94Å |
| 415 | S | 84.6 | Confident | 88.6 | Confident | 13 Ų | 13 | 47 Ų | 47 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -126.6 | 128.7 | 167.5 | 164 | 0 | 0 | 0 | 0 | 108.9 | D412 I417 N463 D464 | D412-S415 WeakPolarHBondContact CB-O 3.42Å; D412-S415 PolarHBondContact O-N 2.84Å; S415-I417 PolarHBondContact O-N 3Å; S415-N463 WeakPolarHBondContact CB-ND2 3.31Å; S415-N463 VanDerWaalsContact O-CB 3.22Å; S415-N463 WeakPolarHBondContact O-CB 3.35Å; S415-N463 PolarHBondContact O-ND2 2.95Å; S415-D464 PolarHBondContact OG-N 3.06Å; S415-D464 PolarHBondContact OG-OD2 2.85Å |
| 416 | K | 86.1 | Confident | 87.8 | Confident | 165 Ų | 165 | 49.7 Ų | 49.7 | 72% | 0.717 | 26% | 0.259 | S | S | * | . | trans | -62.5 | 135.1 | -169.6 | -68.4 | 177.2 | -179.2 | 172.5 | 0 | 111.2 | T418 N463 | K416-T418 PolarHBondContact O-N 2.98Å; K416-N463 VanDerWaalsContact O-CB 3.24Å; K416-N463 WeakPolarHBondContact O-CB 3.46Å | ||
| 417 | I | 87.8 | Confident | 86.6 | Confident | 35 Ų | 35 | 47.4 Ų | 47.4 | 18% | 0.179 | 26% | 0.264 | C | S | . | . | trans | -63.2 | 118.9 | 174.7 | -60.3 | 173.1 | 0 | 0 | 0 | 109.5 | P387 A409 P410 D412 S415 S419 Y420 A461 Q462 | P387-I417 HydrophobicContact CB-CD1 4.16Å; P387-I417 HydrophobicContact CB-CG1 4.1Å; P387-I417 HydrophobicContact CG-CD1 4.5Å; P387-I417 HydrophobicContact CG-CG1 3.92Å; A409-I417 HydrophobicContact CB-CD1 4.48Å; P410-I417 HydrophobicContact CG-CD1 3.7Å; P410-I417 WeakPolarHBondContact O-CD1 3.25Å; D412-I417 HydrophobicContact CB-CD1 4.22Å; D412-I417 HydrophobicContact CB-CG1 3.85Å; S415-I417 PolarHBondContact O-N 3Å; I417-S419 WeakPolarHBondContact CG2-O 3.12Å; I417-Y420 HydrophobicContact CG2-CE1 3.98Å; I417-Y420 HydrophobicContact CG2-CE2 4.27Å; I417-A461 HydrophobicContact CD1-CB 4.32Å; I417-A461 HydrophobicContact CG2-CB 4.16Å; I417-Q462 CarbonylContact C-O 3.57Å; I417-Q462 VanDerWaalsContact CA-O 3.29Å; I417-Q462 WeakPolarHBondContact CA-O 3.42Å; I417-Q462 WeakPolarHBondContact CG2-O 3.49Å | ||
| 418 | T | 89.3 | Confident | 85.2 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 40% | 0.399 | 29% | 0.287 | S | S | . | . | trans | -93.6 | -35.8 | -177.9 | 49.4 | 0 | 0 | 0 | 0 | 112.1 | K416 S440 Q462 D464 | K416-T418 PolarHBondContact O-N 2.98Å; T418-S440 WeakPolarHBondContact O-CB 3.47Å; T418-Q462 PolarHBondContact N-O 2.82Å; T418-Q462 PolarHBondContact OG1-O 2.99Å; T418-D464 WeakPolarHBondContact CG2-OD1 3.46Å | ||
| 419 | S | 90.1 | Very high | 83.6 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 165.3 | 178.3 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | I417 F438 Q462 | I417-S419 WeakPolarHBondContact CG2-O 3.12Å; S419-F438 VanDerWaalsContact OG-CE2 3.25Å; S419-F438 WeakPolarHBondContact OG-CE2 3.23Å; S419-F438 WeakPolarHBondContact OG-CZ 3.49Å; S419-Q462 PolarHBondContact N-O 2.84Å; S419-Q462 PolarHBondContact O-N 2.96Å; S419-Q462 PolarHBondContact OG-OE1 2.78Å |
| 420 | Y | 93.2 | Very high | 82.1 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139 | 166.2 | -58.3 | -83.9 | 0 | 0 | 0 | 109 | W407 A409 I417 F438 G439 Q441 K442 A460 A461 | W407-Y420 AromaticContact CD1-CD1 3.83Å; W407-Y420 HydrophobicContact CZ2-CG 4.4Å; W407-Y420 AromaticContact NE1-CD1 3.39Å; W407-Y420 AromaticContact NE1-CD2 3.52Å; W407-Y420 AromaticContact NE1-CE1 3.88Å; W407-Y420 AromaticContact NE1-CG 3.2Å; A409-Y420 VanDerWaalsContact CB-OH 3.28Å; A409-Y420 WeakPolarHBondContact CB-OH 3.45Å; I417-Y420 HydrophobicContact CG2-CE1 3.98Å; I417-Y420 HydrophobicContact CG2-CE2 4.27Å; Y420-F438 WeakPolarHBondContact O-CA 3.21Å; Y420-G439 PolarHBondContact N-O 2.79Å; Y420-G439 PolarHBondContact O-N 3.12Å; Y420-Q441 WeakPolarHBondContact CD2-O 3.33Å; Y420-K442 HydrophobicContact CE2-CG 3.77Å; Y420-K442 WeakPolarHBondContact OH-CE 3.16Å; Y420-A460 WeakPolarHBondContact CA-O 3.35Å; Y420-A461 HydrophobicContact CD1-CB 3.84Å; Y420-A461 HydrophobicContact CE1-CB 3.9Å |
| 421 | L | 92.8 | Very high | 80.9 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 114.2 | 174.2 | 173 | 54.5 | 0 | 0 | 0 | 108.5 | E423 E435 F438 L459 A460 Y470 | L421-E423 HydrophobicContact CD1-CG 4.46Å; L421-E423 HydrophobicContact CG-CG 4.49Å; L421-E435 HydrophobicContact CD1-CB 4.19Å; L421-E435 HydrophobicContact CD1-CG 3.68Å; L421-E435 WeakPolarHBondContact CD1-OE2 3.45Å; L421-F438 HydrophobicContact CB-CD2 4.04Å; L421-F438 HydrophobicContact CD1-CD2 4.2Å; L421-L459 CarbonylContact O-C 3.59Å; L421-L459 WeakPolarHBondContact O-CA 3.42Å; L421-A460 HydrophobicContact CB-CB 4.45Å; L421-A460 PolarHBondContact N-O 3.28Å; L421-A460 PolarHBondContact O-N 2.87Å; L421-Y470 HydrophobicContact CD2-CE1 4.27Å; L421-Y470 VanDerWaalsContact CD2-OH 3.25Å; L421-Y470 WeakPolarHBondContact CD2-OH 3.19Å; L421-Y470 HydrophobicContact CG-CE1 4.26Å |
| 422 | L | 92.2 | Very high | 80.5 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 117.2 | 177.1 | 179.8 | 73.9 | 0 | 0 | 0 | 109.2 | P393 L405 W407 C436 Y437 C444 F457 L459 | P393-L422 HydrophobicContact CB-CD1 4.27Å; P393-L422 HydrophobicContact CG-CD1 3.85Å; L405-L422 HydrophobicContact CD1-CD2 4.06Å; W407-L422 HydrophobicContact CH2-CD2 4.11Å; W407-L422 HydrophobicContact CZ3-CD2 3.98Å; L422-C436 PolarHBondContact O-N 3.23Å; L422-C436 PolarHBondContact O-SG 3.17Å; L422-Y437 HydrophobicContact CB-CD1 4.18Å; L422-Y437 PolarHBondContact N-O 3.38Å; L422-Y437 PolarHBondContact O-N 3Å; L422-C444 HydrophobicContact CD2-CB 4.05Å; L422-F457 HydrophobicContact CD1-CB 4.46Å; L422-L459 HydrophobicContact CB-CD1 4.05Å; L422-L459 HydrophobicContact CD1-CB 4.24Å; L422-L459 HydrophobicContact CD1-CD1 4.02Å |
| 423 | E | 91.9 | Very high | 80.5 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 153.9 | 173.7 | -67.8 | -174.9 | 153.9 | 0 | 0 | 111.7 | L421 F433 R434 F457 R458 Y470 | L421-E423 HydrophobicContact CD1-CG 4.46Å; L421-E423 HydrophobicContact CG-CG 4.49Å; E423-F433 HydrophobicContact CB-CB 4.24Å; E423-F433 HydrophobicContact CB-CD1 4.12Å; E423-R434 CarbonylContact C-O 3.58Å; E423-R434 WeakPolarHBondContact CA-O 3.31Å; E423-R434 WeakPolarHBondContact CB-O 3.46Å; E423-F457 WeakPolarHBondContact O-CA 3.37Å; E423-R458 HydrophobicContact CB-CG 4.02Å; E423-R458 PolarHBondContact N-O 2.91Å; E423-R458 PolarHBondContact O-N 2.81Å; E423-R458 IonicContact OE2-CZ 2.77Å; E423-R458 IonicContact OE2-NE 3.15Å; E423-R458 PolarHBondContact OE2-NE 2.91Å; E423-R458 IonicContact OE2-NH2 2.66Å; E423-R458 PolarHBondContact OE2-NH2 3.11Å; E423-Y470 VanDerWaalsContact CD-CZ 3.41Å; E423-Y470 HydrophobicContact CG-CE1 4.12Å; E423-Y470 PolarHBondContact OE1-OH 2.96Å; E423-Y470 VanDerWaalsContact OE2-CZ 3.23Å; E423-Y470 PolarHBondContact OE2-OH 3.47Å |
| 424 | W | 89.9 | Confident | 80.6 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 155.9 | 177.4 | 80 | -29.7 | 0 | 0 | 0 | 113.7 | E426 F433 R434 C436 L446 L449 Y455 T456 F457 | W424-E426 HydrophobicContact CH2-CG 4.26Å; W424-E426 HydrophobicContact CZ2-CG 4.08Å; W424-F433 CarbonylContact O-C 3.59Å; W424-F433 WeakPolarHBondContact O-CA 3.37Å; W424-R434 PolarHBondContact N-O 2.99Å; W424-R434 PolarHBondContact O-N 3.03Å; W424-C436 HydrophobicContact CB-CB 4.37Å; W424-C436 HydrophobicContact CD2-CB 4.18Å; W424-C436 HydrophobicContact CG-CB 3.79Å; W424-L446 HydrophobicContact CE3-CD1 4.2Å; W424-L449 HydrophobicContact CH2-CD2 3.53Å; W424-L449 HydrophobicContact CZ3-CD2 3.41Å; W424-L449 VanDerWaalsContact CZ3-CD2 3.41Å; W424-Y455 AromaticContact CE3-CD1 3.52Å; W424-Y455 HydrophobicContact CE3-CD1 3.52Å; W424-Y455 HydrophobicContact CE3-CE1 4.12Å; W424-Y455 HydrophobicContact CE3-CG 4.17Å; W424-Y455 HydrophobicContact CH2-CD1 4.12Å; W424-Y455 AromaticContact CH2-CE1 3.85Å; W424-Y455 HydrophobicContact CH2-CE1 3.85Å; W424-Y455 AromaticContact CZ3-CD1 3.22Å; W424-Y455 HydrophobicContact CZ3-CD1 3.22Å; W424-Y455 AromaticContact CZ3-CE1 3.35Å; W424-Y455 HydrophobicContact CZ3-CE1 3.35Å; W424-Y455 HydrophobicContact CZ3-CG 4.02Å; W424-T456 CarbonylContact C-O 3.5Å; W424-T456 WeakPolarHBondContact CA-O 3.49Å; W424-F457 HydrophobicContact CB-CD1 3.45Å; W424-F457 VanDerWaalsContact CB-CD1 3.45Å; W424-F457 HydrophobicContact CB-CE1 3.34Å; W424-F457 HydrophobicContact CB-CG 4.48Å; W424-F457 HydrophobicContact CB-CZ 4.32Å; W424-F457 HydrophobicContact CD2-CE1 4.26Å; W424-F457 AromaticContact CE3-CE1 3.79Å; W424-F457 HydrophobicContact CE3-CE1 3.79Å; W424-F457 AromaticContact CE3-CZ 3.94Å; W424-F457 HydrophobicContact CE3-CZ 3.94Å; W424-F457 HydrophobicContact CG-CE1 4.15Å |
| 425 | D | 86.3 | Confident | 81.1 | Confident | 30 Ų | 30 | 68.4 Ų | 68.4 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.4 | 166.2 | -163.9 | -26.3 | 0 | 0 | 0 | 109.4 | G427 S431 G432 F433 T456 | D425-G427 VanDerWaalsContact C-N 3.26Å; D425-G427 PolarHBondContact O-N 3.02Å; D425-G427 PolarHBondContact OD1-N 2.99Å; D425-G427 VanDerWaalsContact OD1-N 3.11Å; D425-S431 WeakPolarHBondContact OD1-CB 3.49Å; D425-S431 PolarHBondContact OD1-OG 3.21Å; D425-G432 WeakPolarHBondContact OD2-CA 3.2Å; D425-G432 PolarHBondContact OD2-N 3.02Å; D425-F433 HydrophobicContact CB-CD1 4.32Å; D425-F433 HydrophobicContact CB-CE1 4.33Å; D425-T456 PolarHBondContact N-O 2.91Å; D425-T456 PolarHBondContact O-N 3.35Å |
| 426 | E | 75.2 | Confident | 81.2 | Confident | 57 Ų | 57 | 69.3 Ų | 69.3 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | trans | -82.3 | 3.9 | 179.8 | -58.6 | -172.7 | 163.3 | 0 | 0 | 113.7 | W424 K428 Y455 | W424-E426 HydrophobicContact CH2-CG 4.26Å; W424-E426 HydrophobicContact CZ2-CG 4.08Å; E426-K428 HydrophobicContact CB-CD 4.29Å; E426-K428 PolarHBondContact O-N 3.49Å; E426-K428 WeakPolarHBondContact OE2-CE 3.28Å; E426-K428 IonicContact OE2-NZ 2.7Å; E426-K428 PolarHBondContact OE2-NZ 3.5Å; E426-Y455 HydrophobicContact CB-CD1 4.44Å; E426-Y455 HydrophobicContact CB-CE1 4.28Å; E426-Y455 HydrophobicContact CG-CD1 4.42Å; E426-Y455 HydrophobicContact CG-CE1 4.17Å | ||
| 427 | G | 66.1 | Low | 81.4 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 62% | 0.619 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 71.8 | 14.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D425 | D425-G427 VanDerWaalsContact C-N 3.26Å; D425-G427 PolarHBondContact O-N 3.02Å; D425-G427 PolarHBondContact OD1-N 2.99Å; D425-G427 VanDerWaalsContact OD1-N 3.11Å |
| 428 | K | 63.3 | Low | 81.6 | Confident | 124 Ų | 124 | 66.7 Ų | 66.7 | 54% | 0.539 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -85 | 150.9 | 175.4 | -63.3 | 163.8 | -175.6 | 167.9 | 0 | 108.8 | E426 N430 S431 | E426-K428 HydrophobicContact CB-CD 4.29Å; E426-K428 PolarHBondContact O-N 3.49Å; E426-K428 WeakPolarHBondContact OE2-CE 3.28Å; E426-K428 IonicContact OE2-NZ 2.7Å; E426-K428 PolarHBondContact OE2-NZ 3.5Å; K428-N430 PolarHBondContact O-N 3.17Å; K428-S431 WeakPolarHBondContact CB-OG 3.44Å; K428-S431 PolarHBondContact N-OG 2.71Å; K428-S431 VanDerWaalsContact N-OG 3.1Å; K428-S431 PolarHBondContact O-N 3.24Å; K428-S431 VanDerWaalsContact O-N 3.12Å; K428-S431 PolarHBondContact O-OG 2.73Å |
| 429 | R | 53.5 | Low | 81.5 | Confident | 253 Ų | 253 | 64.4 Ų | 64.4 | 96% | 0.955 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 119.8 | 177.4 | -74.9 | -173.6 | 175.7 | -173.6 | -1 | 109.6 | ||
| 430 | N | 56 | Low | 81.4 | Confident | 170 Ų | 170 | 67.7 Ų | 67.7 | 91% | 0.909 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 26.6 | -177.2 | -56.8 | -3.2 | 0 | 0 | 0 | 116.2 | K428 | K428-N430 PolarHBondContact O-N 3.17Š|
| 431 | S | 64.3 | Low | 81.3 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | trans | -69 | -40.8 | 173.8 | 30.7 | 0 | 0 | 0 | 0 | 113.7 | D425 K428 R434 | D425-S431 WeakPolarHBondContact OD1-CB 3.49Å; D425-S431 PolarHBondContact OD1-OG 3.21Å; K428-S431 WeakPolarHBondContact CB-OG 3.44Å; K428-S431 PolarHBondContact N-OG 2.71Å; K428-S431 VanDerWaalsContact N-OG 3.1Å; K428-S431 PolarHBondContact O-N 3.24Å; K428-S431 VanDerWaalsContact O-N 3.12Å; K428-S431 PolarHBondContact O-OG 2.73Å; S431-R434 PolarHBondContact O-NE 3.36Å; S431-R434 PolarHBondContact O-NH2 2.84Å | ||
| 432 | G | 78.1 | Confident | 81.2 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 34% | 0.34 | 38% | 0.38 | S | S | . | . | trans | 72.4 | 160.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D425 | D425-G432 WeakPolarHBondContact OD2-CA 3.2Å; D425-G432 PolarHBondContact OD2-N 3.02Å | ||
| 433 | F | 87.2 | Confident | 81 | Confident | 48 Ų | 48 | 80.3 Ų | 80.3 | 21% | 0.211 | 40% | 0.399 | C | S | . | . | trans | -65.3 | 135.5 | 175.3 | -77.1 | -79.6 | 0 | 0 | 0 | 112 | E423 W424 D425 T456 R458 E473 | E423-F433 HydrophobicContact CB-CB 4.24Å; E423-F433 HydrophobicContact CB-CD1 4.12Å; W424-F433 CarbonylContact O-C 3.59Å; W424-F433 WeakPolarHBondContact O-CA 3.37Å; D425-F433 HydrophobicContact CB-CD1 4.32Å; D425-F433 HydrophobicContact CB-CE1 4.33Å; F433-T456 HydrophobicContact CE1-CG2 4.17Å; F433-T456 HydrophobicContact CZ-CG2 3.79Å; F433-R458 HydrophobicContact CD1-CG 3.8Å; F433-R458 VanDerWaalsContact CD2-CZ 3.48Å; F433-R458 VanDerWaalsContact CD2-NH1 3.27Å; F433-R458 HydrophobicContact CE1-CB 4.3Å; F433-R458 HydrophobicContact CE1-CG 3.8Å; F433-R458 HydrophobicContact CG-CG 4.39Å; F433-R458 VanDerWaalsContact CG-CZ 3.5Å; F433-R458 HydrophobicContact CZ-CG 4.39Å; F433-E473 VanDerWaalsContact CE2-CD 3.48Å; F433-E473 HydrophobicContact CE2-CG 4.28Å; F433-E473 WeakPolarHBondContact CE2-OE1 3.38Å; F433-E473 HydrophobicContact CZ-CB 4.47Å; F433-E473 HydrophobicContact CZ-CG 3.75Å | ||
| 434 | R | 86.8 | Confident | 80.8 | Confident | 143 Ų | 143 | 79.6 Ų | 79.6 | 54% | 0.54 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.9 | -179.8 | -60.8 | 169.8 | -168.8 | -131.1 | -6.5 | 109.1 | E423 W424 S431 C436 | E423-R434 CarbonylContact C-O 3.58Å; E423-R434 WeakPolarHBondContact CA-O 3.31Å; E423-R434 WeakPolarHBondContact CB-O 3.46Å; W424-R434 PolarHBondContact N-O 2.99Å; W424-R434 PolarHBondContact O-N 3.03Å; S431-R434 PolarHBondContact O-NE 3.36Å; S431-R434 PolarHBondContact O-NH2 2.84Å; R434-C436 PolarHBondContact O-N 2.84Å |
| 435 | E | 89.4 | Confident | 80.8 | Confident | 117 Ų | 117 | 84.2 Ų | 84.2 | 55% | 0.547 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 133.4 | 169.9 | -176.7 | 177.9 | 120.2 | 0 | 0 | 110.5 | L421 | L421-E435 HydrophobicContact CD1-CB 4.19Å; L421-E435 HydrophobicContact CD1-CG 3.68Å; L421-E435 WeakPolarHBondContact CD1-OE2 3.45Å |
| 436 | C | 86.1 | Confident | 80.8 | Confident | 32 Ų | 32 | 83.6 Ų | 83.6 | 22% | 0.216 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | -11.8 | 170.1 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | L422 W424 R434 L446 | L422-C436 PolarHBondContact O-N 3.23Å; L422-C436 PolarHBondContact O-SG 3.17Å; W424-C436 HydrophobicContact CB-CB 4.37Å; W424-C436 HydrophobicContact CD2-CB 4.18Å; W424-C436 HydrophobicContact CG-CB 3.79Å; R434-C436 PolarHBondContact O-N 2.84Å; C436-L446 HydrophobicContact CB-CD2 3.79Å |
| 437 | Y | 90.8 | Very high | 81.3 | Confident | 42 Ų | 42 | 84.8 Ų | 84.8 | 17% | 0.165 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 135.2 | 171.3 | 164.3 | -85.8 | 0 | 0 | 0 | 111.1 | W407 L422 G439 S440 Q441 C444 | W407-Y437 AromaticContact CH2-CD1 3.94Å; W407-Y437 HydrophobicContact CH2-CD1 3.94Å; W407-Y437 HydrophobicContact CH2-CE1 4.01Å; W407-Y437 HydrophobicContact CZ2-CD1 4.07Å; W407-Y437 AromaticContact CZ2-CE1 3.75Å; W407-Y437 HydrophobicContact CZ2-CE1 3.75Å; L422-Y437 HydrophobicContact CB-CD1 4.18Å; L422-Y437 PolarHBondContact N-O 3.38Å; L422-Y437 PolarHBondContact O-N 3Å; Y437-G439 WeakPolarHBondContact OH-CA 3.35Å; Y437-G439 PolarHBondContact OH-O 2.86Å; Y437-S440 PolarHBondContact OH-N 2.98Å; Y437-Q441 WeakPolarHBondContact OH-CA 3.35Å; Y437-Q441 VanDerWaalsContact OH-CB 3.28Å; Y437-Q441 WeakPolarHBondContact OH-CB 3.41Å; Y437-Q441 PolarHBondContact OH-N 2.95Å; Y437-Q441 PolarHBondContact OH-O 3.12Å; Y437-Q441 VanDerWaalsContact OH-O 3.13Å; Y437-C444 VanDerWaalsContact CB-SG 3.6Å; Y437-C444 HydrophobicContact CD1-CB 4.35Å; Y437-C444 HydrophobicContact CD2-CB 3.98Å; Y437-C444 HydrophobicContact CG-CB 3.84Å |
| 438 | F | 90.3 | Very high | 82 | Confident | 103 Ų | 103 | 91.4 Ų | 91.4 | 45% | 0.452 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 125.8 | 166.7 | -177.9 | -96.9 | 0 | 0 | 0 | 109.9 | S419 Y420 L421 | S419-F438 VanDerWaalsContact OG-CE2 3.25Å; S419-F438 WeakPolarHBondContact OG-CE2 3.23Å; S419-F438 WeakPolarHBondContact OG-CZ 3.49Å; Y420-F438 WeakPolarHBondContact O-CA 3.21Å; L421-F438 HydrophobicContact CB-CD2 4.04Å; L421-F438 HydrophobicContact CD1-CD2 4.2Å |
| 439 | G | 88.9 | Confident | 82.9 | Confident | 16 Ų | 16 | 86 Ų | 86 | 17% | 0.165 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.4 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y420 Y437 Q441 | Y420-G439 PolarHBondContact N-O 2.79Å; Y420-G439 PolarHBondContact O-N 3.12Å; Y437-G439 WeakPolarHBondContact OH-CA 3.35Å; Y437-G439 PolarHBondContact OH-O 2.86Å; G439-Q441 PolarHBondContact O-N 2.81Å |
| 440 | S | 87.8 | Confident | 83.9 | Confident | 77 Ų | 77 | 76.9 Ų | 76.9 | 54% | 0.538 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -79.2 | -14 | -171.3 | 59.3 | 0 | 0 | 0 | 0 | 116.1 | T418 Y437 | T418-S440 WeakPolarHBondContact O-CB 3.47Å; Y437-S440 PolarHBondContact OH-N 2.98Å |
| 441 | Q | 90.1 | Very high | 84.7 | Confident | 109 Ų | 109 | 72.5 Ų | 72.5 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | trans | -68.4 | 145.4 | 176.6 | -57.8 | -61.4 | -27 | 0 | 0 | 111.8 | W407 Y420 Y437 G439 H443 | W407-Q441 WeakPolarHBondContact CZ2-O 3.12Å; Y420-Q441 WeakPolarHBondContact CD2-O 3.33Å; Y437-Q441 WeakPolarHBondContact OH-CA 3.35Å; Y437-Q441 VanDerWaalsContact OH-CB 3.28Å; Y437-Q441 WeakPolarHBondContact OH-CB 3.41Å; Y437-Q441 PolarHBondContact OH-N 2.95Å; Y437-Q441 PolarHBondContact OH-O 3.12Å; Y437-Q441 VanDerWaalsContact OH-O 3.13Å; G439-Q441 PolarHBondContact O-N 2.81Å; Q441-H443 PolarHBondContact O-N 2.7Å | ||
| 442 | K | 90.5 | Very high | 84.9 | Confident | 102 Ų | 102 | 74.9 Ų | 74.9 | 44% | 0.443 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -90.7 | 20.4 | 179.4 | -61.5 | 175.4 | -174.6 | 175.7 | 0 | 113 | W407 Y420 | W407-K442 PolarHBondContact N-O 3.1Å; Y420-K442 HydrophobicContact CE2-CG 3.77Å; Y420-K442 WeakPolarHBondContact OH-CE 3.16Å |
| 443 | H | 88.9 | Confident | 84.7 | Confident | 88 Ų | 88 | 76.4 Ų | 76.4 | 41% | 0.407 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 155.2 | 178.9 | 68.6 | -74.8 | 0 | 0 | 0 | 110.5 | L405 Q406 Q441 | L405-H443 CarbonylContact O-C 3.56Å; L405-H443 WeakPolarHBondContact O-CA 3.46Å; L405-H443 WeakPolarHBondContact O-CB 3.44Å; Q406-H443 HydrophobicContact CB-CB 4.22Å; Q406-H443 HydrophobicContact CG-CB 4.21Å; Q441-H443 PolarHBondContact O-N 2.7Å |
| 444 | C | 88.3 | Confident | 84.3 | Confident | 12 Ų | 12 | 74.9 Ų | 74.9 | 8% | 0.081 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 143.2 | 172.7 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | T404 L405 W407 L422 Y437 | T404-C444 CarbonylContact C-O 3.58Å; T404-C444 WeakPolarHBondContact CA-O 3.32Å; L405-C444 PolarHBondContact N-O 3.17Å; L405-C444 PolarHBondContact O-N 2.82Å; W407-C444 HydrophobicContact CH2-CB 3.82Å; W407-C444 HydrophobicContact CZ3-CB 4.15Å; L422-C444 HydrophobicContact CD2-CB 4.05Å; Y437-C444 VanDerWaalsContact CB-SG 3.6Å; Y437-C444 HydrophobicContact CD1-CB 4.35Å; Y437-C444 HydrophobicContact CD2-CB 3.98Å; Y437-C444 HydrophobicContact CG-CB 3.84Å |
| 445 | K | 88.8 | Confident | 84.1 | Confident | 135 Ų | 135 | 68.4 Ų | 68.4 | 59% | 0.587 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 104.4 | 170.8 | -178.6 | 175.7 | 176.6 | 178.3 | 0 | 110.3 | T404 T447 | T404-K445 HydrophobicContact CG2-CB 4.23Å; K445-T447 HydrophobicContact CG-CG2 4.2Å |
| 446 | L | 87.6 | Confident | 84 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 142.9 | 172.7 | -58.2 | 173.7 | 0 | 0 | 0 | 109.8 | S402 L403 L405 W424 C436 L449 F457 | S402-L446 CarbonylContact C-O 3.46Å; S402-L446 WeakPolarHBondContact CA-O 3.19Å; S402-L446 WeakPolarHBondContact CB-O 3.39Å; L403-L446 PolarHBondContact N-O 3.19Å; L403-L446 PolarHBondContact O-N 3.08Å; L405-L446 HydrophobicContact CD1-CD1 4.31Å; W424-L446 HydrophobicContact CE3-CD1 4.2Å; C436-L446 HydrophobicContact CB-CD2 3.79Å; L446-L449 HydrophobicContact CB-CD1 4.24Å; L446-L449 HydrophobicContact CB-CD2 4.47Å; L446-F457 HydrophobicContact CD1-CD1 4.3Å; L446-F457 HydrophobicContact CD1-CE1 3.25Å; L446-F457 HydrophobicContact CD1-CZ 3.65Å |
| 447 | T | 84.4 | Confident | 84.3 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 171 | -176.3 | 63 | 0 | 0 | 0 | 0 | 110.9 | S401 K445 L449 | S401-T447 CarbonylContact O-C 3.53Å; S401-T447 WeakPolarHBondContact O-CA 3.49Å; K445-T447 HydrophobicContact CG-CG2 4.2Å; T447-L449 VanDerWaalsContact C-N 3.27Å; T447-L449 PolarHBondContact O-N 2.89Å |
| 448 | K | 80.5 | Confident | 84.3 | Confident | 199 Ų | 199 | 63.4 Ų | 63.4 | 87% | 0.865 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 64.1 | 29.1 | -172.8 | -49.6 | 177.9 | -178 | 176.9 | 0 | 113.4 | S401 | S401-K448 PolarHBondContact O-N 2.99Š|
| 449 | L | 82.4 | Confident | 84.5 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 156.9 | 178 | -52.2 | -167.4 | 0 | 0 | 0 | 111.3 | S401 L403 W424 L446 T447 Y455 T478 | S401-L449 VanDerWaalsContact CA-O 3.32Å; S401-L449 WeakPolarHBondContact CA-O 3.17Å; S401-L449 WeakPolarHBondContact CB-O 3.49Å; S401-L449 PolarHBondContact O-N 2.89Å; L403-L449 HydrophobicContact CB-CD1 3.79Å; L403-L449 HydrophobicContact CD1-CD1 3.83Å; L403-L449 HydrophobicContact CG-CD1 3.78Å; W424-L449 HydrophobicContact CH2-CD2 3.53Å; W424-L449 HydrophobicContact CZ3-CD2 3.41Å; W424-L449 VanDerWaalsContact CZ3-CD2 3.41Å; L446-L449 HydrophobicContact CB-CD1 4.24Å; L446-L449 HydrophobicContact CB-CD2 4.47Å; T447-L449 VanDerWaalsContact C-N 3.27Å; T447-L449 PolarHBondContact O-N 2.89Å; L449-Y455 HydrophobicContact CB-CE2 3.95Å; L449-Y455 HydrophobicContact CD1-CD2 4.36Å; L449-Y455 HydrophobicContact CD1-CE2 4.18Å; L449-Y455 HydrophobicContact CD2-CE1 4.36Å; L449-Y455 HydrophobicContact CG-CE2 4.44Å; L449-T478 HydrophobicContact CB-CG2 3.59Å; L449-T478 HydrophobicContact CD1-CG2 3.86Å; L449-T478 HydrophobicContact CG-CG2 4.37Å |
| 450 | C | 75 | Confident | 84.7 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 43% | 0.426 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 141.3 | 173.3 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | K400 L453 Y455 T478 | K400-C450 CarbonylContact O-C 3.51Å; C450-L453 HydrophobicContact CB-CB 3.93Å; C450-L453 HydrophobicContact CB-CD2 3.86Å; C450-Y455 PolarHBondContact N-OH 2.96Å; C450-T478 WeakPolarHBondContact O-CB 3.49Å; C450-T478 WeakPolarHBondContact O-CG2 3.19Å; C450-T478 PolarHBondContact O-OG1 2.97Å |
| 451 | P | 72.1 | Confident | 84.8 | Confident | 78 Ų | 78 | 54.1 Ų | 54.1 | 51% | 0.506 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 148.4 | 172.7 | -19.7 | 31 | 0 | 0 | 0 | 112.6 | K400 L453 | K400-P451 HydrophobicContact CB-CB 4.23Å; K400-P451 HydrophobicContact CB-CG 4.23Å; K400-P451 WeakPolarHBondContact O-CA 3.48Å; K400-P451 WeakPolarHBondContact O-CG 3.1Å; P451-L453 PolarHBondContact O-N 3.37Å |
| 452 | A | 68.3 | Low | 84.9 | Confident | 68 Ų | 68 | 51.8 Ų | 51.8 | 56% | 0.562 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 16 | 180 | 0 | 0 | 0 | 0 | 0 | 116.7 | T478 A479 | A452-T478 PolarHBondContact N-OG1 2.98Å; A452-A479 PolarHBondContact N-O 2.73Å |
| 453 | L | 75.6 | Confident | 84.9 | Confident | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.335 | 25% | 0.252 | S | S | . | . | trans | -96.4 | 137.9 | -179.6 | -169.4 | 63.4 | 0 | 0 | 0 | 111.1 | C450 P451 Y455 Y477 T478 | C450-L453 HydrophobicContact CB-CB 3.93Å; C450-L453 HydrophobicContact CB-CD2 3.86Å; P451-L453 PolarHBondContact O-N 3.37Å; L453-Y455 HydrophobicContact CB-CE2 3.97Å; L453-Y455 HydrophobicContact CD2-CE1 4.39Å; L453-Y455 HydrophobicContact CD2-CE2 4.23Å; L453-Y455 HydrophobicContact CG-CE2 4.2Å; L453-Y455 WeakPolarHBondContact O-CD2 3.47Å; L453-Y477 WeakPolarHBondContact O-CA 3.33Å; L453-T478 PolarHBondContact N-OG1 3.31Å; L453-T478 VanDerWaalsContact N-OG1 3.15Å; L453-T478 PolarHBondContact O-N 2.83Å; L453-T478 PolarHBondContact O-OG1 2.88Å | ||
| 454 | G | 77.6 | Confident | 84.8 | Confident | 16 Ų | 16 | 48.9 Ų | 48.9 | 17% | 0.165 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 131.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y477 | G454-Y477 VanDerWaalsContact CA-CD1 3.43Å |
| 455 | Y | 83.1 | Confident | 84.7 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 133.9 | 176.9 | -66.9 | -91.8 | 0 | 0 | 0 | 109.4 | L403 W424 E426 L449 C450 L453 F457 V475 C476 T478 | L403-Y455 HydrophobicContact CD1-CD2 4.26Å; W424-Y455 AromaticContact CE3-CD1 3.52Å; W424-Y455 HydrophobicContact CE3-CD1 3.52Å; W424-Y455 HydrophobicContact CE3-CE1 4.12Å; W424-Y455 HydrophobicContact CE3-CG 4.17Å; W424-Y455 HydrophobicContact CH2-CD1 4.12Å; W424-Y455 AromaticContact CH2-CE1 3.85Å; W424-Y455 HydrophobicContact CH2-CE1 3.85Å; W424-Y455 AromaticContact CZ3-CD1 3.22Å; W424-Y455 HydrophobicContact CZ3-CD1 3.22Å; W424-Y455 AromaticContact CZ3-CE1 3.35Å; W424-Y455 HydrophobicContact CZ3-CE1 3.35Å; W424-Y455 HydrophobicContact CZ3-CG 4.02Å; E426-Y455 HydrophobicContact CB-CD1 4.44Å; E426-Y455 HydrophobicContact CB-CE1 4.28Å; E426-Y455 HydrophobicContact CG-CD1 4.42Å; E426-Y455 HydrophobicContact CG-CE1 4.17Å; L449-Y455 HydrophobicContact CB-CE2 3.95Å; L449-Y455 HydrophobicContact CD1-CD2 4.36Å; L449-Y455 HydrophobicContact CD1-CE2 4.18Å; L449-Y455 HydrophobicContact CD2-CE1 4.36Å; L449-Y455 HydrophobicContact CG-CE2 4.44Å; C450-Y455 PolarHBondContact N-OH 2.96Å; L453-Y455 HydrophobicContact CB-CE2 3.97Å; L453-Y455 HydrophobicContact CD2-CE1 4.39Å; L453-Y455 HydrophobicContact CD2-CE2 4.23Å; L453-Y455 HydrophobicContact CG-CE2 4.2Å; L453-Y455 WeakPolarHBondContact O-CD2 3.47Å; Y455-F457 VanDerWaalsContact CB-CE2 3.49Å; Y455-F457 HydrophobicContact CG-CZ 4.45Å; Y455-F457 VanDerWaalsContact O-CD2 3.32Å; Y455-F457 WeakPolarHBondContact O-CD2 3.45Å; Y455-F457 VanDerWaalsContact O-CE2 3.24Å; Y455-F457 WeakPolarHBondContact O-CE2 3.2Å; Y455-V475 CarbonylContact O-C 3.48Å; Y455-V475 WeakPolarHBondContact O-CA 3.3Å; Y455-C476 PolarHBondContact N-O 3.27Å; Y455-C476 PolarHBondContact O-N 3.04Å; Y455-T478 HydrophobicContact CE2-CG2 4.17Å |
| 456 | T | 88 | Confident | 84.6 | Confident | 29 Ų | 29 | 47.7 Ų | 47.7 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134.3 | -178.3 | -51.5 | 0 | 0 | 0 | 0 | 110.2 | W424 D425 F433 E473 V474 V475 | W424-T456 CarbonylContact C-O 3.5Å; W424-T456 WeakPolarHBondContact CA-O 3.49Å; D425-T456 PolarHBondContact N-O 2.91Å; D425-T456 PolarHBondContact O-N 3.35Å; F433-T456 HydrophobicContact CE1-CG2 4.17Å; F433-T456 HydrophobicContact CZ-CG2 3.79Å; T456-E473 HydrophobicContact CG2-CB 3.92Å; T456-V474 CarbonylContact C-O 3.5Å; T456-V474 WeakPolarHBondContact CA-O 3.33Å; T456-V475 HydrophobicContact CG2-CG2 4.41Å |
| 457 | F | 91.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.7 | -175.4 | -62.9 | -79 | 0 | 0 | 0 | 113.1 | P393 L403 L405 L422 E423 W424 L446 Y455 E473 V474 C476 | P393-F457 HydrophobicContact CG-CB 4.01Å; L403-F457 HydrophobicContact CD1-CE2 4.04Å; L403-F457 HydrophobicContact CD1-CZ 4.19Å; L405-F457 HydrophobicContact CD1-CB 4.32Å; L405-F457 HydrophobicContact CD1-CD1 3.52Å; L405-F457 HydrophobicContact CD1-CD2 3.81Å; L405-F457 HydrophobicContact CD1-CE1 3.7Å; L405-F457 HydrophobicContact CD1-CE2 3.96Å; L405-F457 HydrophobicContact CD1-CG 3.58Å; L405-F457 HydrophobicContact CD1-CZ 3.91Å; L422-F457 HydrophobicContact CD1-CB 4.46Å; E423-F457 WeakPolarHBondContact O-CA 3.37Å; W424-F457 HydrophobicContact CB-CD1 3.45Å; W424-F457 VanDerWaalsContact CB-CD1 3.45Å; W424-F457 HydrophobicContact CB-CE1 3.34Å; W424-F457 HydrophobicContact CB-CG 4.48Å; W424-F457 HydrophobicContact CB-CZ 4.32Å; W424-F457 HydrophobicContact CD2-CE1 4.26Å; W424-F457 AromaticContact CE3-CE1 3.79Å; W424-F457 HydrophobicContact CE3-CE1 3.79Å; W424-F457 AromaticContact CE3-CZ 3.94Å; W424-F457 HydrophobicContact CE3-CZ 3.94Å; W424-F457 HydrophobicContact CG-CE1 4.15Å; L446-F457 HydrophobicContact CD1-CD1 4.3Å; L446-F457 HydrophobicContact CD1-CE1 3.25Å; L446-F457 HydrophobicContact CD1-CZ 3.65Å; Y455-F457 VanDerWaalsContact CB-CE2 3.49Å; Y455-F457 HydrophobicContact CG-CZ 4.45Å; Y455-F457 VanDerWaalsContact O-CD2 3.32Å; Y455-F457 WeakPolarHBondContact O-CD2 3.45Å; Y455-F457 VanDerWaalsContact O-CE2 3.24Å; Y455-F457 WeakPolarHBondContact O-CE2 3.2Å; F457-E473 CarbonylContact O-C 3.53Å; F457-E473 WeakPolarHBondContact O-CA 3.34Å; F457-V474 HydrophobicContact CB-CG1 4.09Å; F457-V474 PolarHBondContact N-O 2.84Å; F457-V474 PolarHBondContact O-N 3.05Å; F457-C476 HydrophobicContact CD2-CB 4.14Å; F457-C476 HydrophobicContact CE2-CB 3.93Å |
| 458 | R | 92.4 | Very high | 84.8 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 22% | 0.219 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 150.3 | 168.3 | 68.6 | -172.9 | -170.8 | -171.1 | 3.8 | 111.4 | E423 F433 Y470 E473 | E423-R458 HydrophobicContact CB-CG 4.02Å; E423-R458 PolarHBondContact N-O 2.91Å; E423-R458 PolarHBondContact O-N 2.81Å; E423-R458 IonicContact OE2-CZ 2.77Å; E423-R458 IonicContact OE2-NE 3.15Å; E423-R458 PolarHBondContact OE2-NE 2.91Å; E423-R458 IonicContact OE2-NH2 2.66Å; E423-R458 PolarHBondContact OE2-NH2 3.11Å; F433-R458 HydrophobicContact CD1-CG 3.8Å; F433-R458 VanDerWaalsContact CD2-CZ 3.48Å; F433-R458 VanDerWaalsContact CD2-NH1 3.27Å; F433-R458 HydrophobicContact CE1-CB 4.3Å; F433-R458 HydrophobicContact CE1-CG 3.8Å; F433-R458 HydrophobicContact CG-CG 4.39Å; F433-R458 VanDerWaalsContact CG-CZ 3.5Å; F433-R458 HydrophobicContact CZ-CG 4.39Å; R458-Y470 HydrophobicContact CG-CD1 3.94Å; R458-Y470 HydrophobicContact CG-CE1 4.5Å; R458-Y470 HydrophobicContact CG-CG 4.11Å; R458-E473 HydrophobicContact CB-CG 4.32Å; R458-E473 IonicContact NH1-OE1 2.73Å |
| 459 | L | 93.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.7 | -167.2 | 179.6 | 73.2 | 0 | 0 | 0 | 111.2 | P390 P393 W407 L421 L422 Y470 S471 | P390-L459 HydrophobicContact CB-CD2 3.92Å; P390-L459 HydrophobicContact CB-CG 4.3Å; P390-L459 HydrophobicContact CG-CB 4.19Å; P390-L459 HydrophobicContact CG-CD2 3.99Å; P390-L459 HydrophobicContact CG-CG 3.82Å; P390-L459 WeakPolarHBondContact CG-O 3.26Å; P393-L459 HydrophobicContact CG-CB 4.5Å; W407-L459 HydrophobicContact CB-CD2 3.55Å; W407-L459 HydrophobicContact CD2-CD1 4.01Å; W407-L459 HydrophobicContact CD2-CD2 3.8Å; W407-L459 HydrophobicContact CE3-CD1 4.44Å; W407-L459 HydrophobicContact CE3-CD2 4.45Å; W407-L459 HydrophobicContact CG-CD1 4.39Å; W407-L459 HydrophobicContact CG-CD2 3.38Å; W407-L459 HydrophobicContact CH2-CD1 4.5Å; W407-L459 HydrophobicContact CZ2-CD1 4.08Å; L421-L459 CarbonylContact O-C 3.59Å; L421-L459 WeakPolarHBondContact O-CA 3.42Å; L422-L459 HydrophobicContact CB-CD1 4.05Å; L422-L459 HydrophobicContact CD1-CB 4.24Å; L422-L459 HydrophobicContact CD1-CD1 4.02Å; L459-Y470 CarbonylContact O-C 3.52Å; L459-Y470 WeakPolarHBondContact O-CA 3.49Å; L459-S471 PolarHBondContact N-OG 3.18Å; L459-S471 PolarHBondContact O-N 3.39Å |
| 460 | A | 91.8 | Very high | 85.7 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 162.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y420 L421 T467 Y470 | Y420-A460 WeakPolarHBondContact CA-O 3.35Å; L421-A460 HydrophobicContact CB-CB 4.45Å; L421-A460 PolarHBondContact N-O 3.28Å; L421-A460 PolarHBondContact O-N 2.87Å; A460-T467 HydrophobicContact CB-CG2 3.92Å; A460-Y470 HydrophobicContact CB-CD1 3.62Å; A460-Y470 HydrophobicContact CB-CE1 3.7Å; A460-Y470 HydrophobicContact CB-CG 4.43Å |
| 461 | A | 91.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | P387 P410 I417 Y420 S468 | P387-A461 HydrophobicContact CB-CB 4.23Å; P387-A461 HydrophobicContact CG-CB 4.48Å; P410-A461 HydrophobicContact CG-CB 3.56Å; I417-A461 HydrophobicContact CD1-CB 4.32Å; I417-A461 HydrophobicContact CG2-CB 4.16Å; Y420-A461 HydrophobicContact CD1-CB 3.84Å; Y420-A461 HydrophobicContact CE1-CB 3.9Å; A461-S468 PolarHBondContact N-OG 3.38Å; A461-S468 WeakPolarHBondContact O-CB 3.49Å; A461-S468 PolarHBondContact O-N 3.11Å; A461-S468 PolarHBondContact O-OG 3.06Å |
| 462 | Q | 92.3 | Very high | 87.2 | Confident | 60 Ų | 60 | 44.4 Ų | 44.4 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.4 | -175.8 | -177.7 | 175.3 | 1.9 | 0 | 0 | 111 | I417 T418 S419 G466 T467 | I417-Q462 CarbonylContact C-O 3.57Å; I417-Q462 VanDerWaalsContact CA-O 3.29Å; I417-Q462 WeakPolarHBondContact CA-O 3.42Å; I417-Q462 WeakPolarHBondContact CG2-O 3.49Å; T418-Q462 PolarHBondContact N-O 2.82Å; T418-Q462 PolarHBondContact OG1-O 2.99Å; S419-Q462 PolarHBondContact N-O 2.84Å; S419-Q462 PolarHBondContact O-N 2.96Å; S419-Q462 PolarHBondContact OG-OE1 2.78Å; Q462-G466 WeakPolarHBondContact CA-O 3.41Å; Q462-T467 HydrophobicContact CB-CG2 4.29Å; Q462-T467 WeakPolarHBondContact CG-OG1 3.34Å |
| 463 | N | 89.9 | Confident | 88.3 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | -173.6 | 166.4 | 70.1 | 11.2 | 0 | 0 | 0 | 109.9 | S385 P387 D412 S415 K416 I465 G466 | S385-N463 PolarHBondContact O-ND2 2.86Å; P387-N463 HydrophobicContact CG-CB 3.86Å; D412-N463 PolarHBondContact O-ND2 2.91Å; S415-N463 WeakPolarHBondContact CB-ND2 3.31Å; S415-N463 VanDerWaalsContact O-CB 3.22Å; S415-N463 WeakPolarHBondContact O-CB 3.35Å; S415-N463 PolarHBondContact O-ND2 2.95Å; K416-N463 VanDerWaalsContact O-CB 3.24Å; K416-N463 WeakPolarHBondContact O-CB 3.46Å; N463-I465 PolarHBondContact O-N 2.89Å; N463-I465 VanDerWaalsContact O-N 3.13Å; N463-I465 WeakPolarHBondContact OD1-CA 3.41Å; N463-I465 WeakPolarHBondContact OD1-CB 3.48Å; N463-I465 PolarHBondContact OD1-N 2.94Å; N463-G466 PolarHBondContact N-O 3.23Å; N463-G466 PolarHBondContact O-N 3.25Å; N463-G466 PolarHBondContact OD1-N 3.21Å; N463-G466 VanDerWaalsContact OD1-N 3.13Å; N463-G466 PolarHBondContact OD1-O 2.78Å |
| 464 | D | 87.1 | Confident | 88.8 | Confident | 126 Ų | 126 | 45.4 Ų | 45.4 | 67% | 0.674 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -12 | -177.3 | -50 | -49.8 | 0 | 0 | 0 | 113.7 | S415 T418 | S415-D464 PolarHBondContact OG-N 3.06Å; S415-D464 PolarHBondContact OG-OD2 2.85Å; T418-D464 WeakPolarHBondContact CG2-OD1 3.46Å |
| 465 | I | 86.3 | Confident | 89.2 | Confident | 101 Ų | 101 | 48 Ų | 48 | 52% | 0.518 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -27.8 | 177.7 | -46.4 | -60.2 | 0 | 0 | 0 | 111.8 | N463 | N463-I465 PolarHBondContact O-N 2.89Å; N463-I465 VanDerWaalsContact O-N 3.13Å; N463-I465 WeakPolarHBondContact OD1-CA 3.41Å; N463-I465 WeakPolarHBondContact OD1-CB 3.48Å; N463-I465 PolarHBondContact OD1-N 2.94Å |
| 466 | G | 85.1 | Confident | 89.1 | Confident | 22 Ų | 22 | 48 Ų | 48 | 23% | 0.227 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.3 | -172.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | P387 Q462 N463 | P387-G466 WeakPolarHBondContact CD-O 3.38Å; Q462-G466 WeakPolarHBondContact CA-O 3.41Å; N463-G466 PolarHBondContact N-O 3.23Å; N463-G466 PolarHBondContact O-N 3.25Å; N463-G466 PolarHBondContact OD1-N 3.21Å; N463-G466 VanDerWaalsContact OD1-N 3.13Å; N463-G466 PolarHBondContact OD1-O 2.78Å |
| 467 | T | 86.8 | Confident | 88.7 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 141.1 | -178.1 | -49.1 | 0 | 0 | 0 | 0 | 111.3 | A460 Q462 | A460-T467 HydrophobicContact CB-CG2 3.92Å; Q462-T467 HydrophobicContact CB-CG2 4.29Å; Q462-T467 WeakPolarHBondContact CG-OG1 3.34Å |
| 468 | S | 91.2 | Very high | 88.1 | Confident | 13 Ų | 13 | 53.8 Ų | 53.8 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 165.8 | 174.3 | 77.1 | 0 | 0 | 0 | 0 | 112.2 | P387 E388 P390 A461 | P387-S468 WeakPolarHBondContact O-CB 3.39Å; E388-S468 WeakPolarHBondContact O-CB 3.47Å; P390-S468 WeakPolarHBondContact CD-OG 3.28Å; A461-S468 PolarHBondContact N-OG 3.38Å; A461-S468 WeakPolarHBondContact O-CB 3.49Å; A461-S468 PolarHBondContact O-N 3.11Å; A461-S468 PolarHBondContact O-OG 3.06Å |
| 469 | G | 89.3 | Confident | 87.1 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 52% | 0.515 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 154.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 470 | Y | 90.9 | Very high | 85.9 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 148.9 | 175.3 | -73.3 | -64.7 | 0 | 0 | 0 | 112.6 | C389 L421 E423 R458 L459 A460 | C389-Y470 VanDerWaalsContact SG-C 3.54Å; C389-Y470 PolarHBondContact SG-O 3.02Å; L421-Y470 HydrophobicContact CD2-CE1 4.27Å; L421-Y470 VanDerWaalsContact CD2-OH 3.25Å; L421-Y470 WeakPolarHBondContact CD2-OH 3.19Å; L421-Y470 HydrophobicContact CG-CE1 4.26Å; E423-Y470 VanDerWaalsContact CD-CZ 3.41Å; E423-Y470 HydrophobicContact CG-CE1 4.12Å; E423-Y470 PolarHBondContact OE1-OH 2.96Å; E423-Y470 VanDerWaalsContact OE2-CZ 3.23Å; E423-Y470 PolarHBondContact OE2-OH 3.47Å; R458-Y470 HydrophobicContact CG-CD1 3.94Å; R458-Y470 HydrophobicContact CG-CE1 4.5Å; R458-Y470 HydrophobicContact CG-CG 4.11Å; L459-Y470 CarbonylContact O-C 3.52Å; L459-Y470 WeakPolarHBondContact O-CA 3.49Å; A460-Y470 HydrophobicContact CB-CD1 3.62Å; A460-Y470 HydrophobicContact CB-CE1 3.7Å; A460-Y470 HydrophobicContact CB-CG 4.43Å |
| 471 | S | 91.4 | Very high | 85 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.049 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 164.8 | 169.6 | 74.1 | 0 | 0 | 0 | 0 | 111.8 | P390 L459 | P390-S471 WeakPolarHBondContact O-CB 3.24Å; L459-S471 PolarHBondContact N-OG 3.18Å; L459-S471 PolarHBondContact O-N 3.39Å |
| 472 | Q | 88.2 | Confident | 84.3 | Confident | 159 Ų | 159 | 59.7 Ų | 59.7 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 147.7 | 160.1 | -69.5 | -179 | -28.7 | 0 | 0 | 110.6 | P392 | P392-Q472 HydrophobicContact CG-CB 3.88Å; P392-Q472 WeakPolarHBondContact CG-O 3.18Å |
| 473 | E | 90.6 | Very high | 83.8 | Confident | 116 Ų | 116 | 57.1 Ų | 57.1 | 54% | 0.542 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 141.7 | -179.1 | -62.6 | 178.2 | -174.4 | 0 | 0 | 110.7 | F433 T456 F457 R458 | F433-E473 VanDerWaalsContact CE2-CD 3.48Å; F433-E473 HydrophobicContact CE2-CG 4.28Å; F433-E473 WeakPolarHBondContact CE2-OE1 3.38Å; F433-E473 HydrophobicContact CZ-CB 4.47Å; F433-E473 HydrophobicContact CZ-CG 3.75Å; T456-E473 HydrophobicContact CG2-CB 3.92Å; F457-E473 CarbonylContact O-C 3.53Å; F457-E473 WeakPolarHBondContact O-CA 3.34Å; R458-E473 HydrophobicContact CB-CG 4.32Å; R458-E473 IonicContact NH1-OE1 2.73Å |
| 474 | V | 87.1 | Confident | 83.4 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 125.7 | -178.4 | 60.3 | 0 | 0 | 0 | 0 | 111.6 | P392 P393 T456 F457 | P392-V474 HydrophobicContact CB-CB 4.21Å; P392-V474 HydrophobicContact CB-CG1 4.03Å; P393-V474 HydrophobicContact CG-CG1 3.86Å; P393-V474 WeakPolarHBondContact O-CG1 3.43Å; T456-V474 CarbonylContact C-O 3.5Å; T456-V474 WeakPolarHBondContact CA-O 3.33Å; F457-V474 HydrophobicContact CB-CG1 4.09Å; F457-V474 PolarHBondContact N-O 2.84Å; F457-V474 PolarHBondContact O-N 3.05Å |
| 475 | V | 85.8 | Confident | 83.4 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 128.7 | 176.2 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | Y455 T456 Y477 | Y455-V475 CarbonylContact O-C 3.48Å; Y455-V475 WeakPolarHBondContact O-CA 3.3Å; T456-V475 HydrophobicContact CG2-CG2 4.41Å; V475-Y477 HydrophobicContact CG1-CD2 4.41Å; V475-Y477 HydrophobicContact CG1-CE2 3.77Å |
| 476 | C | 80.7 | Confident | 83.6 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.4 | 173.5 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | L403 L405 Y455 F457 | L403-C476 HydrophobicContact CD1-CB 3.98Å; L403-C476 HydrophobicContact CD2-CB 4.41Å; L405-C476 HydrophobicContact CD2-CB 4.48Å; Y455-C476 PolarHBondContact N-O 3.27Å; Y455-C476 PolarHBondContact O-N 3.04Å; F457-C476 HydrophobicContact CD2-CB 4.14Å; F457-C476 HydrophobicContact CE2-CB 3.93Å |
| 477 | Y | 80.4 | Confident | 83.8 | Confident | 146 Ų | 146 | 58.2 Ų | 58.2 | 57% | 0.573 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138.1 | -177.8 | -61.7 | -97.5 | 0 | 0 | 0 | 111.5 | R398 L453 G454 V475 | R398-Y477 WeakPolarHBondContact CD-O 3.46Å; L453-Y477 WeakPolarHBondContact O-CA 3.33Å; G454-Y477 VanDerWaalsContact CA-CD1 3.43Å; V475-Y477 HydrophobicContact CG1-CD2 4.41Å; V475-Y477 HydrophobicContact CG1-CE2 3.77Å |
| 478 | T | 77 | Confident | 83.8 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | trans | -63.3 | 161.4 | 164.7 | 46 | 0 | 0 | 0 | 0 | 111.2 | T399 L403 L449 C450 A452 L453 Y455 | T399-T478 WeakPolarHBondContact O-CB 3.14Å; L403-T478 HydrophobicContact CD1-CG2 4.42Å; L403-T478 HydrophobicContact CG-CG2 4.19Å; L449-T478 HydrophobicContact CB-CG2 3.59Å; L449-T478 HydrophobicContact CD1-CG2 3.86Å; L449-T478 HydrophobicContact CG-CG2 4.37Å; C450-T478 WeakPolarHBondContact O-CB 3.49Å; C450-T478 WeakPolarHBondContact O-CG2 3.19Å; C450-T478 PolarHBondContact O-OG1 2.97Å; A452-T478 PolarHBondContact N-OG1 2.98Å; L453-T478 PolarHBondContact N-OG1 3.31Å; L453-T478 VanDerWaalsContact N-OG1 3.15Å; L453-T478 PolarHBondContact O-N 2.83Å; L453-T478 PolarHBondContact O-OG1 2.88Å; Y455-T478 HydrophobicContact CE2-CG2 4.17Å | ||
| 479 | A | 71.3 | Confident | 83.9 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 7% | 0.066 | 31% | 0.306 | C | S | . | . | trans | -65.2 | 140.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R398 T399 K400 A452 E562 | R398-A479 HydrophobicContact CG-CB 4.11Å; T399-A479 VanDerWaalsContact C-CB 3.41Å; T399-A479 PolarHBondContact O-N 2.89Å; K400-A479 HydrophobicContact CG-CB 4.27Å; A452-A479 PolarHBondContact N-O 2.73Å; A479-E562 WeakPolarHBondContact CA-OE1 3.35Å | ||
| 480 | G | 69.7 | Low | 84.1 | Confident | 11 Ų | 11 | 62.7 Ų | 62.7 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | trans | -79.1 | -156.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K400 E562 | K400-G480 WeakPolarHBondContact CE-O 3.5Å; G480-E562 VanDerWaalsContact N-CD 3.27Å; G480-E562 PolarHBondContact N-OE1 3.32Å | ||
| 481 | N | 72.9 | Confident | 84.3 | Confident | 79 Ų | 79 | 62 Ų | 62 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 149.6 | 167.2 | -70.1 | -39.1 | 0 | 0 | 0 | 109.5 | K400 N560 | K400-N481 PolarHBondContact NZ-OD1 2.84Å; N481-N560 PolarHBondContact O-ND2 2.96Å |
| 482 | I | 76.1 | Confident | 84.4 | Confident | 85 Ų | 85 | 65.3 Ų | 65.3 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 146.4 | 158.9 | -62.9 | 175.7 | 0 | 0 | 0 | 107.1 | E562 K564 | I482-E562 HydrophobicContact CG1-CB 4.22Å; I482-K564 WeakPolarHBondContact CG2-O 3.3Å |
| 483 | P | 81.5 | Confident | 84.5 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 5% | 0.045 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 151.1 | 179.9 | -21.3 | 35.1 | 0 | 0 | 0 | 111.2 | V506 A558 N560 S565 | P483-V506 HydrophobicContact CB-CG1 4.03Å; P483-A558 HydrophobicContact CB-CB 3.8Å; P483-A558 HydrophobicContact CG-CB 4.34Å; P483-N560 WeakPolarHBondContact CD-OD1 3.43Å; P483-N560 HydrophobicContact CG-CB 3.97Å; P483-S565 WeakPolarHBondContact O-CB 3.35Å |
| 484 | Q | 82.9 | Confident | 84.5 | Confident | 129 Ų | 129 | 61.1 Ų | 61.1 | 60% | 0.603 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 160.7 | 173.2 | -60.1 | -167.2 | 11.1 | 0 | 0 | 111 | P486 V506 | Q484-P486 WeakPolarHBondContact O-CD 3.38Å; Q484-V506 HydrophobicContact CB-CG1 3.96Å; Q484-V506 WeakPolarHBondContact O-CG1 3.49Å |
| 485 | T | 86.3 | Confident | 84.6 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -56 | 122.6 | 172.9 | -51.8 | 0 | 0 | 0 | 0 | 109.7 | P567 | T485-P567 WeakPolarHBondContact CG2-O 3.14Š|
| 486 | P | 89.9 | Confident | 84.8 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.032 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -68 | 150.5 | 176.9 | 28.3 | -34 | 0 | 0 | 0 | 111.1 | Q484 V506 L556 S565 S568 | Q484-P486 WeakPolarHBondContact O-CD 3.38Å; P486-V506 HydrophobicContact CB-CG2 3.74Å; P486-L556 HydrophobicContact CB-CD2 4.01Å; P486-L556 HydrophobicContact CB-CG 4.35Å; P486-L556 HydrophobicContact CG-CB 4.22Å; P486-L556 HydrophobicContact CG-CD2 4.32Å; P486-L556 HydrophobicContact CG-CG 4.13Å; P486-L556 WeakPolarHBondContact CG-O 2.82Å; P486-S565 WeakPolarHBondContact CD-OG 3.41Å; P486-S568 WeakPolarHBondContact O-CA 3.42Å; P486-S568 WeakPolarHBondContact O-CB 3.23Å |
| 487 | S | 88.9 | Confident | 85.2 | Confident | 62 Ų | 62 | 61 Ų | 61 | 43% | 0.434 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 153.8 | 166.8 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 488 | A | 88.8 | Confident | 85.8 | Confident | 37 Ų | 37 | 57 Ų | 57 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 138.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E569 | A488-E569 HydrophobicContact CB-CB 4.29Š|
| 489 | P | 92.9 | Very high | 86.6 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.019 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 147 | 172.8 | 26.4 | -32 | 0 | 0 | 0 | 109.7 | L501 W503 L519 F554 L571 | P489-L501 HydrophobicContact CB-CB 4.29Å; P489-L501 HydrophobicContact CB-CD1 4.11Å; P489-L501 HydrophobicContact CG-CD1 4.22Å; P489-W503 HydrophobicContact CB-CE3 4.25Å; P489-L519 HydrophobicContact CG-CD1 4.29Å; P489-F554 HydrophobicContact CG-CB 4.4Å; P489-L571 HydrophobicContact CB-CD2 4.48Å; P489-L571 HydrophobicContact CG-CB 4.01Å; P489-L571 HydrophobicContact CG-CD2 4.15Å; P489-L571 WeakPolarHBondContact O-CD2 3.33Å |
| 490 | R | 93.1 | Very high | 87.7 | Confident | 184 Ų | 184 | 57.7 Ų | 57.7 | 69% | 0.694 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 134.2 | 176 | 174.7 | 177.4 | 172.2 | -176.6 | -0.6 | 109.9 | V492 L501 Q502 | R490-V492 PolarHBondContact O-N 2.89Å; R490-L501 VanDerWaalsContact O-CA 3.31Å; R490-L501 WeakPolarHBondContact O-CA 3.33Å; R490-Q502 PolarHBondContact N-O 3.35Å; R490-Q502 PolarHBondContact O-N 2.83Å |
| 491 | L | 94.1 | Very high | 88.9 | Confident | 68 Ų | 68 | 57.2 Ų | 57.2 | 36% | 0.356 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 121.1 | 166 | -178.9 | 61.8 | 0 | 0 | 0 | 110.1 | A494 I499 L501 | L491-A494 HydrophobicContact CD1-CB 4.47Å; L491-I499 HydrophobicContact CD1-CG2 3.7Å; L491-L501 HydrophobicContact CB-CD2 4.36Å; L491-L501 HydrophobicContact CD1-CD2 4.03Å |
| 492 | V | 93.4 | Very high | 89.9 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -48.9 | 170.8 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | R490 T500 Q502 | R490-V492 PolarHBondContact O-N 2.89Å; V492-T500 HydrophobicContact CB-CG2 4.15Å; V492-T500 WeakPolarHBondContact CB-O 3.35Å; V492-T500 PolarHBondContact N-O 2.95Å; V492-Q502 HydrophobicContact CG2-CB 3.46Å; V492-Q502 VanDerWaalsContact CG2-CB 3.46Å |
| 493 | R | 91 | Very high | 90.8 | Very high | 161 Ų | 161 | 54 Ų | 54 | 61% | 0.608 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 139.4 | -179.5 | -162.3 | 170 | 62.3 | 161.7 | 9.2 | 110.8 | W498 T500 | R493-W498 HydrophobicContact CB-CH2 4.4Å; R493-W498 HydrophobicContact CB-CZ3 4.17Å; R493-W498 HydrophobicContact CG-CH2 3.97Å; R493-W498 HydrophobicContact CG-CZ3 4.23Å; R493-W498 VanDerWaalsContact NE-CH2 3.3Å; R493-T500 PolarHBondContact N-O 2.96Å; R493-T500 PolarHBondContact O-N 3.02Å |
| 494 | A | 91.4 | Very high | 91.1 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 150.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L491 I499 S576 | L491-A494 HydrophobicContact CD1-CB 4.47Å; A494-I499 HydrophobicContact CB-CG1 4.28Å; A494-S576 PolarHBondContact O-OG 3.3Å |
| 495 | G | 88.9 | Confident | 91.2 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | trans | -131.7 | -172.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T497 W498 T575 S576 | G495-T497 PolarHBondContact O-N 3.21Å; G495-W498 PolarHBondContact N-O 2.87Å; G495-T575 WeakPolarHBondContact O-CB 3.25Å; G495-S576 PolarHBondContact O-N 3.46Å | ||
| 496 | V | 89.6 | Confident | 91.1 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -61.2 | -43.9 | -175.5 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | R548 D578 | V496-R548 HydrophobicContact CG1-CB 3.58Å; V496-R548 WeakPolarHBondContact O-CA 3.41Å; V496-D578 HydrophobicContact CG1-CB 3.62Å; V496-D578 HydrophobicContact CG2-CB 4.29Å |
| 497 | T | 90.1 | Very high | 90.1 | Very high | 68 Ų | 68 | 62.6 Ų | 62.6 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -125.4 | 15.2 | -174.2 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | G495 K544 N545 L546 | G495-T497 PolarHBondContact O-N 3.21Å; T497-K544 CarbonylContact O-C 3.59Å; T497-N545 PolarHBondContact O-N 3.38Å; T497-L546 VanDerWaalsContact CA-O 3.3Å; T497-L546 WeakPolarHBondContact CA-O 3.41Å; T497-L546 WeakPolarHBondContact CB-O 3.48Å; T497-L546 PolarHBondContact O-N 2.99Å |
| 498 | W | 92.4 | Very high | 88.6 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 24% | 0.239 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 154.3 | -177 | 56.6 | -92.8 | 0 | 0 | 0 | 112.6 | R493 G495 T542 V543 K544 | R493-W498 HydrophobicContact CB-CH2 4.4Å; R493-W498 HydrophobicContact CB-CZ3 4.17Å; R493-W498 HydrophobicContact CG-CH2 3.97Å; R493-W498 HydrophobicContact CG-CZ3 4.23Å; R493-W498 VanDerWaalsContact NE-CH2 3.3Å; G495-W498 PolarHBondContact N-O 2.87Å; W498-T542 HydrophobicContact CB-CG2 4.08Å; W498-T542 HydrophobicContact CD2-CG2 4.38Å; W498-T542 HydrophobicContact CE3-CG2 4.01Å; W498-T542 HydrophobicContact CG-CG2 4.42Å; W498-V543 CarbonylContact C-O 3.5Å; W498-V543 WeakPolarHBondContact CA-O 3.06Å; W498-V543 WeakPolarHBondContact CB-O 3.16Å; W498-K544 HydrophobicContact CB-CB 4.45Å; W498-K544 HydrophobicContact CB-CG 4.09Å |
| 499 | I | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 128.6 | 174.8 | -71 | 173.3 | 0 | 0 | 0 | 108.3 | L491 A494 L501 T542 V543 L546 Y552 F554 C573 T575 | L491-I499 HydrophobicContact CD1-CG2 3.7Å; A494-I499 HydrophobicContact CB-CG1 4.28Å; I499-L501 HydrophobicContact CG2-CD2 3.53Å; I499-L501 HydrophobicContact CG2-CG 3.93Å; I499-T542 CarbonylContact O-C 3.59Å; I499-T542 WeakPolarHBondContact O-CA 3.44Å; I499-V543 PolarHBondContact N-O 3.04Å; I499-V543 PolarHBondContact O-N 2.76Å; I499-L546 HydrophobicContact CB-CD1 3.94Å; I499-L546 HydrophobicContact CD1-CD1 3.79Å; I499-L546 HydrophobicContact CG1-CD1 3.73Å; I499-Y552 HydrophobicContact CD1-CD2 4.29Å; I499-F554 HydrophobicContact CB-CZ 4.21Å; I499-F554 HydrophobicContact CD1-CE2 3.9Å; I499-F554 HydrophobicContact CD1-CZ 4Å; I499-F554 HydrophobicContact CG2-CE2 4.26Å; I499-F554 HydrophobicContact CG2-CZ 4.13Å; I499-C573 HydrophobicContact CD1-CB 3.92Å; I499-T575 HydrophobicContact CD1-CG2 3.92Å; I499-T575 HydrophobicContact CG1-CG2 3.99Å |
| 500 | T | 93.6 | Very high | 85.5 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 15% | 0.153 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.6 | 173.6 | -55.4 | 0 | 0 | 0 | 0 | 110 | V492 R493 C541 T542 | V492-T500 HydrophobicContact CB-CG2 4.15Å; V492-T500 WeakPolarHBondContact CB-O 3.35Å; V492-T500 PolarHBondContact N-O 2.95Å; R493-T500 PolarHBondContact N-O 2.96Å; R493-T500 PolarHBondContact O-N 3.02Å; T500-C541 WeakPolarHBondContact CA-O 3.45Å; T500-T542 WeakPolarHBondContact CG2-OG1 3.22Å; T500-T542 WeakPolarHBondContact OG1-CG2 3.34Å; T500-T542 PolarHBondContact OG1-OG1 3.04Å |
| 501 | L | 95.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 152.4 | 177.1 | -57 | -173.8 | 0 | 0 | 0 | 111.1 | P489 R490 L491 I499 W503 L519 A540 C541 F554 L571 | P489-L501 HydrophobicContact CB-CB 4.29Å; P489-L501 HydrophobicContact CB-CD1 4.11Å; P489-L501 HydrophobicContact CG-CD1 4.22Å; R490-L501 VanDerWaalsContact O-CA 3.31Å; R490-L501 WeakPolarHBondContact O-CA 3.33Å; L491-L501 HydrophobicContact CB-CD2 4.36Å; L491-L501 HydrophobicContact CD1-CD2 4.03Å; I499-L501 HydrophobicContact CG2-CD2 3.53Å; I499-L501 HydrophobicContact CG2-CG 3.93Å; L501-W503 HydrophobicContact CB-CZ3 4.32Å; L501-L519 HydrophobicContact CD1-CD1 4.07Å; L501-L519 HydrophobicContact CD1-CD2 4.14Å; L501-A540 CarbonylContact O-C 3.48Å; L501-A540 WeakPolarHBondContact O-CA 3.32Å; L501-A540 WeakPolarHBondContact O-CB 3.26Å; L501-C541 PolarHBondContact N-O 3.04Å; L501-C541 PolarHBondContact O-N 3.33Å; L501-F554 HydrophobicContact CD1-CB 3.89Å; L501-F554 HydrophobicContact CD1-CD1 3.57Å; L501-F554 HydrophobicContact CD1-CD2 4.03Å; L501-F554 HydrophobicContact CD1-CE1 4Å; L501-F554 HydrophobicContact CD1-CE2 4.43Å; L501-F554 HydrophobicContact CD1-CG 3.57Å; L501-F554 HydrophobicContact CD1-CZ 4.41Å; L501-L571 HydrophobicContact CD1-CD2 4.02Å; L501-L571 HydrophobicContact CD2-CD2 3.5Å; L501-L571 HydrophobicContact CG-CD2 4.41Å |
| 502 | Q | 94.5 | Very high | 82.3 | Confident | 94 Ų | 94 | 66.9 Ų | 66.9 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 150.3 | 176.2 | -177.8 | 177.7 | 15.9 | 0 | 0 | 110.6 | R490 V492 Q539 A540 | R490-Q502 PolarHBondContact N-O 3.35Å; R490-Q502 PolarHBondContact O-N 2.83Å; V492-Q502 HydrophobicContact CG2-CB 3.46Å; V492-Q502 VanDerWaalsContact CG2-CB 3.46Å; Q502-Q539 CarbonylContact C-O 3.59Å; Q502-Q539 WeakPolarHBondContact CA-O 3.3Å; Q502-Q539 WeakPolarHBondContact CG-O 3.38Å; Q502-A540 HydrophobicContact CB-CB 4.17Å; Q502-A540 HydrophobicContact CG-CB 4.27Å |
| 503 | W | 93.9 | Very high | 81.2 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.015 | 35% | 0.345 | C | S | . | . | trans | -144.4 | 159.4 | 179.6 | 51.2 | 87.2 | 0 | 0 | 0 | 112.7 | P489 L501 Y517 L519 Y534 E538 Q539 C541 L556 | P489-W503 HydrophobicContact CB-CE3 4.25Å; L501-W503 HydrophobicContact CB-CZ3 4.32Å; W503-Y517 AromaticContact CD1-CD1 3.79Å; W503-Y517 AromaticContact CD1-CG 3.91Å; W503-Y517 HydrophobicContact CZ2-CG 4.44Å; W503-Y517 AromaticContact NE1-CD1 3.53Å; W503-Y517 AromaticContact NE1-CD2 3.41Å; W503-Y517 AromaticContact NE1-CG 3.17Å; W503-L519 HydrophobicContact CH2-CB 4.4Å; W503-L519 HydrophobicContact CZ3-CD1 4.34Å; W503-L519 HydrophobicContact CZ3-CD2 4.26Å; W503-Y534 HydrophobicContact CH2-CD1 4.18Å; W503-Y534 HydrophobicContact CH2-CE1 4.48Å; W503-Y534 HydrophobicContact CZ2-CD1 4.19Å; W503-Y534 HydrophobicContact CZ2-CE1 4.15Å; W503-E538 VanDerWaalsContact CZ2-O 3.24Å; W503-E538 WeakPolarHBondContact CZ2-O 3.37Å; W503-E538 PolarHBondContact NE1-O 2.84Å; W503-Q539 PolarHBondContact N-O 3.16Å; W503-Q539 PolarHBondContact O-NE2 2.96Å; W503-C541 HydrophobicContact CH2-CB 3.69Å; W503-C541 HydrophobicContact CZ3-CB 4.11Å; W503-L556 HydrophobicContact CB-CD2 3.45Å; W503-L556 VanDerWaalsContact CB-CD2 3.45Å; W503-L556 HydrophobicContact CD2-CD1 3.92Å; W503-L556 HydrophobicContact CD2-CD2 3.62Å; W503-L556 HydrophobicContact CD2-CG 4.45Å; W503-L556 HydrophobicContact CE3-CD1 4.11Å; W503-L556 HydrophobicContact CE3-CD2 4.18Å; W503-L556 HydrophobicContact CG-CD1 4.43Å; W503-L556 HydrophobicContact CG-CD2 3.29Å; W503-L556 HydrophobicContact CG-CG 4.49Å; W503-L556 HydrophobicContact CH2-CD1 4.27Å; W503-L556 HydrophobicContact CZ2-CD1 4.1Å; W503-L556 HydrophobicContact CZ3-CD1 4.28Å | ||
| 504 | N | 88.8 | Confident | 80.5 | Confident | 113 Ų | 113 | 61.6 Ų | 61.6 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -82 | 159.2 | 179.7 | -65.1 | -16.8 | 0 | 0 | 0 | 111.2 | ||
| 505 | K | 84.1 | Confident | 80.1 | Confident | 109 Ų | 109 | 60.8 Ų | 60.8 | 47% | 0.474 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 136.4 | 170.4 | -174.9 | 174.5 | 179.8 | 177 | 0 | 108.7 | Y517 | K505-Y517 WeakPolarHBondContact CA-OH 2.9Š|
| 506 | V | 83.4 | Confident | 80.1 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 131.1 | 175.6 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | P483 Q484 P486 I515 Y517 A558 | P483-V506 HydrophobicContact CB-CG1 4.03Å; Q484-V506 HydrophobicContact CB-CG1 3.96Å; Q484-V506 WeakPolarHBondContact O-CG1 3.49Å; P486-V506 HydrophobicContact CB-CG2 3.74Å; V506-I515 HydrophobicContact CB-CD1 4.42Å; V506-Y517 HydrophobicContact CG2-CE1 4.14Å; V506-Y517 PolarHBondContact N-OH 3.18Å; V506-A558 HydrophobicContact CB-CB 4.41Å; V506-A558 HydrophobicContact CG2-CB 3.83Å |
| 507 | E | 69.1 | Low | 80.3 | Confident | 163 Ų | 163 | 60.6 Ų | 60.6 | 76% | 0.762 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -87.9 | 155.9 | 174.8 | -61.4 | -174.9 | 175.8 | 0 | 0 | 111.6 | ||
| 508 | G | 58.9 | Low | 80.5 | Confident | 47 Ų | 47 | 58 Ų | 58 | 49% | 0.485 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 101.5 | -1.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 509 | C | 56.9 | Low | 80.5 | Confident | 28 Ų | 28 | 55 Ų | 55 | 19% | 0.189 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -94.3 | 167.1 | 166.3 | -82.4 | 0 | 0 | 0 | 0 | 111.5 | E513 I515 | C509-E513 HydrophobicContact CB-CB 4.31Å; C509-E513 WeakPolarHBondContact CB-OE2 3.47Å; C509-E513 PolarHBondContact SG-OE2 3.11Å; C509-I515 HydrophobicContact CB-CD1 3.89Å; C509-I515 HydrophobicContact CB-CG1 4.43Å |
| 510 | S | 59.7 | Low | 80.5 | Confident | 64 Ų | 64 | 55.6 Ų | 55.6 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | trans | -64.6 | 146.2 | 173.6 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | E512 E513 | S510-E512 PolarHBondContact O-N 2.98Å; S510-E512 VanDerWaalsContact O-N 3.14Å; S510-E513 PolarHBondContact N-OE2 3.15Å; S510-E513 VanDerWaalsContact O-CB 3.31Å; S510-E513 WeakPolarHBondContact O-CB 3.49Å; S510-E513 PolarHBondContact O-N 3Å | ||
| 511 | P | 57.6 | Low | 80.5 | Confident | 120 Ų | 120 | 54.4 Ų | 54.4 | 78% | 0.779 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32.6 | 178.8 | -27.6 | 36 | 0 | 0 | 0 | 114.2 | ||
| 512 | E | 61.2 | Low | 80.3 | Confident | 184 Ų | 184 | 55.2 Ų | 55.2 | 86% | 0.86 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -0.2 | -179.9 | -58.1 | -178.7 | 163.1 | 0 | 0 | 113.5 | S510 | S510-E512 PolarHBondContact O-N 2.98Å; S510-E512 VanDerWaalsContact O-N 3.14Å |
| 513 | E | 70.8 | Confident | 79.4 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | trans | -83.8 | 126.5 | -177 | -172.7 | 164.9 | -152.8 | 0 | 0 | 112.2 | C509 S510 I515 N560 | C509-E513 HydrophobicContact CB-CB 4.31Å; C509-E513 WeakPolarHBondContact CB-OE2 3.47Å; C509-E513 PolarHBondContact SG-OE2 3.11Å; S510-E513 PolarHBondContact N-OE2 3.15Å; S510-E513 VanDerWaalsContact O-CB 3.31Å; S510-E513 WeakPolarHBondContact O-CB 3.49Å; S510-E513 PolarHBondContact O-N 3Å; E513-I515 PolarHBondContact O-N 3.28Å; E513-N560 HydrophobicContact CG-CB 4.3Å; E513-N560 PolarHBondContact OE1-ND2 3.33Å | ||
| 514 | V | 75.4 | Confident | 78.3 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 53% | 0.533 | 31% | 0.313 | S | S | . | . | trans | -74.9 | 117.6 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | E537 | V514-E537 HydrophobicContact CG1-CG 3.93Å; V514-E537 WeakPolarHBondContact CG1-OE1 3.13Å | ||
| 515 | I | 83.7 | Confident | 77 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | trans | -109.5 | 120.6 | 176.6 | -54.7 | 175.8 | 0 | 0 | 0 | 108.4 | V506 C509 E513 Y517 A558 | V506-I515 HydrophobicContact CB-CD1 4.42Å; C509-I515 HydrophobicContact CB-CD1 3.89Å; C509-I515 HydrophobicContact CB-CG1 4.43Å; E513-I515 PolarHBondContact O-N 3.28Å; I515-Y517 HydrophobicContact CG2-CE1 4.12Å; I515-Y517 HydrophobicContact CG2-CE2 4.23Å; I515-A558 HydrophobicContact CG2-CB 3.88Å | ||
| 516 | S | 89.2 | Confident | 75.9 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 143.4 | 170.8 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | A558 S559 | S516-A558 CarbonylContact O-C 3.46Å; S516-A558 WeakPolarHBondContact O-CA 3.21Å; S516-S559 PolarHBondContact N-O 3.33Å; S516-S559 PolarHBondContact O-N 3.25Å; S516-S559 PolarHBondContact OG-O 3.41Å |
| 517 | Y | 93.3 | Very high | 75.1 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.02 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.9 | 178.4 | -62.2 | -80.2 | 0 | 0 | 0 | 110.4 | W503 K505 V506 I515 T535 G536 L556 F557 A558 | W503-Y517 AromaticContact CD1-CD1 3.79Å; W503-Y517 AromaticContact CD1-CG 3.91Å; W503-Y517 HydrophobicContact CZ2-CG 4.44Å; W503-Y517 AromaticContact NE1-CD1 3.53Å; W503-Y517 AromaticContact NE1-CD2 3.41Å; W503-Y517 AromaticContact NE1-CG 3.17Å; K505-Y517 WeakPolarHBondContact CA-OH 2.9Å; V506-Y517 HydrophobicContact CG2-CE1 4.14Å; V506-Y517 PolarHBondContact N-OH 3.18Å; I515-Y517 HydrophobicContact CG2-CE1 4.12Å; I515-Y517 HydrophobicContact CG2-CE2 4.23Å; Y517-T535 VanDerWaalsContact O-CA 3.26Å; Y517-T535 WeakPolarHBondContact O-CA 3.44Å; Y517-G536 PolarHBondContact N-O 3.16Å; Y517-G536 PolarHBondContact O-N 2.9Å; Y517-G536 VanDerWaalsContact O-N 3.08Å; Y517-L556 HydrophobicContact CD1-CD2 4.39Å; Y517-F557 CarbonylContact C-O 3.49Å; Y517-F557 VanDerWaalsContact CA-O 3.26Å; Y517-F557 WeakPolarHBondContact CA-O 3.37Å; Y517-A558 HydrophobicContact CD1-CB 4.16Å; Y517-A558 HydrophobicContact CE1-CB 3.94Å |
| 518 | T | 93.7 | Very high | 75.3 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 8% | 0.08 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.1 | 170 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | E520 P532 Y534 T535 F557 | T518-E520 HydrophobicContact CG2-CG 4.05Å; T518-P532 HydrophobicContact CG2-CB 4.18Å; T518-Y534 CarbonylContact C-O 3.54Å; T518-Y534 VanDerWaalsContact CA-O 3.31Å; T518-Y534 WeakPolarHBondContact CA-O 3.23Å; T518-T535 PolarHBondContact OG1-OG1 2.98Å; T518-T535 VanDerWaalsContact OG1-OG1 3.1Å; T518-F557 PolarHBondContact N-O 3.32Å; T518-F557 PolarHBondContact O-N 3.49Å |
| 519 | L | 94.3 | Very high | 76.5 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.6 | 173.9 | -177 | 74.7 | 0 | 0 | 0 | 108.9 | P489 L501 W503 P532 K533 Y534 C541 V543 F554 L556 | P489-L519 HydrophobicContact CG-CD1 4.29Å; L501-L519 HydrophobicContact CD1-CD1 4.07Å; L501-L519 HydrophobicContact CD1-CD2 4.14Å; W503-L519 HydrophobicContact CH2-CB 4.4Å; W503-L519 HydrophobicContact CZ3-CD1 4.34Å; W503-L519 HydrophobicContact CZ3-CD2 4.26Å; L519-P532 WeakPolarHBondContact O-CA 3.26Å; L519-K533 PolarHBondContact O-N 2.9Å; L519-Y534 PolarHBondContact N-O 2.67Å; L519-Y534 PolarHBondContact O-N 2.77Å; L519-C541 HydrophobicContact CD2-CB 4.32Å; L519-V543 HydrophobicContact CD2-CG2 3.82Å; L519-F554 HydrophobicContact CD1-CB 4.39Å; L519-F554 HydrophobicContact CD1-CD1 4.39Å; L519-F554 HydrophobicContact CD2-CD1 4.28Å; L519-F554 HydrophobicContact CG-CD1 4.4Å; L519-L556 HydrophobicContact CB-CD1 4.15Å; L519-L556 HydrophobicContact CD1-CD1 4.07Å |
| 520 | E | 93.4 | Very high | 78 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.065 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 144.8 | 176.8 | -55.8 | 173 | -171.6 | 0 | 0 | 110.3 | T518 F530 H531 P532 F554 R555 F557 K564 | T518-E520 HydrophobicContact CG2-CG 4.05Å; E520-F530 HydrophobicContact CB-CB 3.98Å; E520-F530 HydrophobicContact CB-CD1 4.25Å; E520-H531 CarbonylContact C-O 3.55Å; E520-H531 VanDerWaalsContact CA-O 3.27Å; E520-H531 WeakPolarHBondContact CA-O 3.35Å; E520-P532 HydrophobicContact CG-CB 4.3Å; E520-F554 WeakPolarHBondContact O-CA 3.47Å; E520-R555 HydrophobicContact CB-CG 4.11Å; E520-R555 PolarHBondContact N-O 3.38Å; E520-R555 PolarHBondContact O-N 2.92Å; E520-R555 IonicContact OE2-CZ 3.28Å; E520-R555 VanDerWaalsContact OE2-CZ 3.22Å; E520-R555 IonicContact OE2-NE 3.87Å; E520-R555 PolarHBondContact OE2-NE 3.11Å; E520-R555 IonicContact OE2-NH2 2.84Å; E520-R555 PolarHBondContact OE2-NH2 2.79Å; E520-F557 HydrophobicContact CG-CD2 4.43Å; E520-F557 HydrophobicContact CG-CE2 4.14Å; E520-F557 VanDerWaalsContact OE1-CE2 3.23Å; E520-F557 WeakPolarHBondContact OE1-CE2 3.48Å; E520-F557 VanDerWaalsContact OE2-CE2 3.29Å; E520-F557 WeakPolarHBondContact OE2-CE2 3.36Å; E520-K564 IonicContact OE1-NZ 2.79Å; E520-K564 PolarHBondContact OE1-NZ 3.42Å |
| 521 | I | 92.8 | Very high | 79.4 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 149 | 178.7 | -159.7 | 179.4 | 0 | 0 | 0 | 110.7 | E523 F530 H531 K533 V543 L546 Y552 K553 F554 | I521-E523 HydrophobicContact CG2-CG 4.2Å; I521-F530 CarbonylContact O-C 3.5Å; I521-F530 WeakPolarHBondContact O-CA 3.48Å; I521-H531 PolarHBondContact N-O 2.93Å; I521-H531 PolarHBondContact O-N 2.86Å; I521-K533 HydrophobicContact CB-CG 4.13Å; I521-K533 HydrophobicContact CG2-CD 4.02Å; I521-K533 HydrophobicContact CG2-CG 3.45Å; I521-K533 VanDerWaalsContact CG2-CG 3.45Å; I521-V543 HydrophobicContact CD1-CG1 4.46Å; I521-L546 HydrophobicContact CD1-CD2 3.78Å; I521-Y552 HydrophobicContact CD1-CD1 3.41Å; I521-Y552 VanDerWaalsContact CD1-CD1 3.41Å; I521-Y552 HydrophobicContact CD1-CE1 4.17Å; I521-Y552 HydrophobicContact CD1-CG 3.9Å; I521-Y552 HydrophobicContact CG1-CD1 4.01Å; I521-K553 CarbonylContact C-O 3.56Å; I521-K553 VanDerWaalsContact CA-O 3.26Å; I521-K553 WeakPolarHBondContact CA-O 3.42Å; I521-K553 WeakPolarHBondContact CG1-O 3.01Å; I521-F554 HydrophobicContact CB-CD1 4.05Å; I521-F554 HydrophobicContact CB-CE1 4.06Å; I521-F554 HydrophobicContact CD1-CD1 4.14Å; I521-F554 HydrophobicContact CD1-CE1 3.35Å; I521-F554 HydrophobicContact CD1-CE2 4.28Å; I521-F554 HydrophobicContact CD1-CZ 3.44Å; I521-F554 VanDerWaalsContact CD1-CZ 3.44Å; I521-F554 HydrophobicContact CG1-CD1 3.76Å; I521-F554 HydrophobicContact CG1-CE1 3.51Å; I521-F554 HydrophobicContact CG1-CE2 4.38Å; I521-F554 HydrophobicContact CG1-CG 4.31Å; I521-F554 HydrophobicContact CG1-CZ 3.85Å |
| 522 | Q | 90.8 | Very high | 81 | Confident | 16 Ų | 16 | 59.9 Ų | 59.9 | 8% | 0.075 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.4 | 163.2 | 167.3 | -169 | -17.2 | 0 | 0 | 107.5 | E524 D527 F530 K553 | Q522-E524 WeakPolarHBondContact CG-O 3.39Å; Q522-E524 PolarHBondContact NE2-O 2.86Å; Q522-D527 HydrophobicContact CG-CB 4.24Å; Q522-D527 PolarHBondContact NE2-O 2.87Å; Q522-F530 HydrophobicContact CB-CD1 4.09Å; Q522-F530 HydrophobicContact CB-CD2 4.32Å; Q522-F530 HydrophobicContact CB-CE1 3.92Å; Q522-F530 HydrophobicContact CB-CE2 4.15Å; Q522-F530 HydrophobicContact CB-CG 4.29Å; Q522-F530 HydrophobicContact CB-CZ 3.95Å; Q522-K553 HydrophobicContact CB-CB 4.25Å; Q522-K553 PolarHBondContact N-O 3.11Å; Q522-K553 VanDerWaalsContact NE2-NZ 3.13Å; Q522-K553 PolarHBondContact O-N 2.88Å |
| 523 | E | 77.2 | Confident | 82.4 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | trans | -99 | -18.1 | -168.3 | -62.5 | -160.8 | -166.7 | 0 | 0 | 115.7 | I521 K533 Y552 | I521-E523 HydrophobicContact CG2-CG 4.2Å; E523-K533 VanDerWaalsContact OE1-CE 3.26Å; E523-K533 WeakPolarHBondContact OE1-CE 3.06Å; E523-K533 IonicContact OE1-NZ 2.71Å; E523-K533 PolarHBondContact OE1-NZ 2.89Å; E523-Y552 HydrophobicContact CB-CD1 4.31Å; E523-Y552 HydrophobicContact CB-CE1 3.82Å; E523-Y552 HydrophobicContact CG-CD1 4.23Å; E523-Y552 HydrophobicContact CG-CE1 3.82Å | ||
| 524 | E | 69.5 | Low | 83.4 | Confident | 93 Ų | 93 | 55.4 Ų | 55.4 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -141.5 | 154 | 177.1 | -65.8 | -175.8 | -169.6 | 0 | 0 | 110.6 | Q522 N526 D527 R547 | Q522-E524 WeakPolarHBondContact CG-O 3.39Å; Q522-E524 PolarHBondContact NE2-O 2.86Å; E524-N526 VanDerWaalsContact C-N 3.29Å; E524-N526 PolarHBondContact O-N 3.37Å; E524-D527 HydrophobicContact CB-CB 4.33Å; E524-D527 WeakPolarHBondContact O-CB 3.37Å; E524-D527 PolarHBondContact O-N 2.7Å; E524-D527 VanDerWaalsContact O-N 3.15Å; E524-R547 IonicContact OE1-CZ 3.67Å; E524-R547 IonicContact OE1-NH1 3.27Å; E524-R547 PolarHBondContact OE1-NH1 3.11Å; E524-R547 IonicContact OE1-NH2 3.86Å; E524-R547 PolarHBondContact OE1-NH2 2.99Å |
| 525 | D | 62.1 | Low | 84.1 | Confident | 113 Ų | 113 | 55.7 Ų | 55.7 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -32.1 | -179.9 | -100 | -41.7 | 0 | 0 | 0 | 113.5 | D527 K553 | D525-D527 VanDerWaalsContact C-N 3.33Å; D525-K553 WeakPolarHBondContact OD1-CE 3.44Å; D525-K553 IonicContact OD1-NZ 3.86Å; D525-K553 PolarHBondContact OD1-NZ 3.21Å |
| 526 | N | 60.7 | Low | 84.4 | Confident | 156 Ų | 156 | 56.1 Ų | 56.1 | 83% | 0.834 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -12.4 | 176 | -75 | -21.9 | 0 | 0 | 0 | 113.6 | E524 | E524-N526 VanDerWaalsContact C-N 3.29Å; E524-N526 PolarHBondContact O-N 3.37Å |
| 527 | D | 66.5 | Low | 84.4 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 24% | 0.235 | 32% | 0.324 | C | S | . | . | trans | -78.3 | 127.2 | 175.1 | -174.8 | 8.1 | 0 | 0 | 0 | 109.6 | Q522 E524 D525 V529 | Q522-D527 HydrophobicContact CG-CB 4.24Å; Q522-D527 PolarHBondContact NE2-O 2.87Å; E524-D527 HydrophobicContact CB-CB 4.33Å; E524-D527 WeakPolarHBondContact O-CB 3.37Å; E524-D527 PolarHBondContact O-N 2.7Å; E524-D527 VanDerWaalsContact O-N 3.15Å; D525-D527 VanDerWaalsContact C-N 3.33Å; D527-V529 WeakPolarHBondContact OD1-CB 3.49Å; D527-V529 PolarHBondContact OD1-N 2.8Å | ||
| 528 | T | 72.6 | Confident | 84.2 | Confident | 135 Ų | 135 | 66.5 Ų | 66.5 | 83% | 0.828 | 35% | 0.351 | S | S | * | . | trans | -95.2 | -2.9 | 177.1 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 529 | V | 84.3 | Confident | 84.1 | Confident | 70 Ų | 70 | 70.3 Ų | 70.3 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | trans | -100.4 | 141.4 | -173.3 | -171.4 | 0 | 0 | 0 | 0 | 110.7 | D527 | D527-V529 WeakPolarHBondContact OD1-CB 3.49Å; D527-V529 PolarHBondContact OD1-N 2.8Å | ||
| 530 | F | 90.1 | Very high | 84 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 12% | 0.118 | 38% | 0.384 | C | S | . | . | trans | -107.8 | 124.2 | 170.4 | -86.1 | -95.4 | 0 | 0 | 0 | 108.8 | E520 I521 Q522 K553 R555 I570 | E520-F530 HydrophobicContact CB-CB 3.98Å; E520-F530 HydrophobicContact CB-CD1 4.25Å; I521-F530 CarbonylContact O-C 3.5Å; I521-F530 WeakPolarHBondContact O-CA 3.48Å; Q522-F530 HydrophobicContact CB-CD1 4.09Å; Q522-F530 HydrophobicContact CB-CD2 4.32Å; Q522-F530 HydrophobicContact CB-CE1 3.92Å; Q522-F530 HydrophobicContact CB-CE2 4.15Å; Q522-F530 HydrophobicContact CB-CG 4.29Å; Q522-F530 HydrophobicContact CB-CZ 3.95Å; F530-K553 HydrophobicContact CE1-CB 4.35Å; F530-K553 HydrophobicContact CZ-CB 4.26Å; F530-R555 HydrophobicContact CD1-CG 3.67Å; F530-R555 HydrophobicContact CE1-CB 4.28Å; F530-R555 HydrophobicContact CE1-CG 3.87Å; F530-R555 HydrophobicContact CG-CG 4.3Å; F530-I570 HydrophobicContact CE2-CD1 4.49Å; F530-I570 HydrophobicContact CZ-CD1 4.01Å; F530-I570 HydrophobicContact CZ-CG1 4.31Å | ||
| 531 | H | 89 | Confident | 83.9 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 40% | 0.398 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.6 | -177.3 | -67.1 | -68.5 | 0 | 0 | 0 | 111.2 | E520 I521 K533 | E520-H531 CarbonylContact C-O 3.55Å; E520-H531 VanDerWaalsContact CA-O 3.27Å; E520-H531 WeakPolarHBondContact CA-O 3.35Å; I521-H531 PolarHBondContact N-O 2.93Å; I521-H531 PolarHBondContact O-N 2.86Å; H531-K533 PolarHBondContact O-N 3.26Å |
| 532 | P | 90.3 | Very high | 84 | Confident | 84 Ų | 84 | 75.2 Ų | 75.2 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 128.7 | 176.4 | 27.6 | -33.8 | 0 | 0 | 0 | 110.9 | T518 L519 E520 | T518-P532 HydrophobicContact CG2-CB 4.18Å; L519-P532 WeakPolarHBondContact O-CA 3.26Å; E520-P532 HydrophobicContact CG-CB 4.3Å |
| 533 | K | 90.3 | Very high | 84.1 | Confident | 95 Ų | 95 | 74.8 Ų | 74.8 | 41% | 0.413 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -16.5 | 172.9 | -63.4 | -68.3 | -171 | 179 | 0 | 112.8 | L519 I521 E523 H531 V543 | L519-K533 PolarHBondContact O-N 2.9Å; I521-K533 HydrophobicContact CB-CG 4.13Å; I521-K533 HydrophobicContact CG2-CD 4.02Å; I521-K533 HydrophobicContact CG2-CG 3.45Å; I521-K533 VanDerWaalsContact CG2-CG 3.45Å; E523-K533 VanDerWaalsContact OE1-CE 3.26Å; E523-K533 WeakPolarHBondContact OE1-CE 3.06Å; E523-K533 IonicContact OE1-NZ 2.71Å; E523-K533 PolarHBondContact OE1-NZ 2.89Å; H531-K533 PolarHBondContact O-N 3.26Å; K533-V543 HydrophobicContact CB-CG1 4.11Å; K533-V543 HydrophobicContact CB-CG2 4.08Å; K533-V543 HydrophobicContact CD-CG1 4.34Å; K533-V543 HydrophobicContact CG-CG1 3.98Å |
| 534 | Y | 92.1 | Very high | 84.7 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 13% | 0.133 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 140.5 | 176 | -179.9 | -94.1 | 0 | 0 | 0 | 110.7 | W503 T518 L519 G536 E538 C541 | W503-Y534 HydrophobicContact CH2-CD1 4.18Å; W503-Y534 HydrophobicContact CH2-CE1 4.48Å; W503-Y534 HydrophobicContact CZ2-CD1 4.19Å; W503-Y534 HydrophobicContact CZ2-CE1 4.15Å; T518-Y534 CarbonylContact C-O 3.54Å; T518-Y534 VanDerWaalsContact CA-O 3.31Å; T518-Y534 WeakPolarHBondContact CA-O 3.23Å; L519-Y534 PolarHBondContact N-O 2.67Å; L519-Y534 PolarHBondContact O-N 2.77Å; Y534-G536 VanDerWaalsContact CE1-N 3.32Å; Y534-G536 WeakPolarHBondContact OH-CA 3.15Å; Y534-E538 VanDerWaalsContact CE2-OE2 3.25Å; Y534-E538 WeakPolarHBondContact CE2-OE2 3.44Å; Y534-E538 VanDerWaalsContact CZ-OE2 3.32Å; Y534-E538 WeakPolarHBondContact OH-CB 3.24Å; Y534-E538 VanDerWaalsContact OH-CG 3.29Å; Y534-E538 WeakPolarHBondContact OH-CG 3.29Å; Y534-E538 PolarHBondContact OH-N 2.81Å; Y534-E538 VanDerWaalsContact OH-N 3.14Å; Y534-E538 PolarHBondContact OH-OE2 3.35Å; Y534-C541 HydrophobicContact CD2-CB 4.12Å; Y534-C541 HydrophobicContact CG-CB 4.06Å |
| 535 | T | 90.6 | Very high | 85.7 | Confident | 94 Ų | 94 | 82.1 Ų | 82.1 | 58% | 0.577 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 118.9 | 163.3 | -64.3 | 0 | 0 | 0 | 0 | 108.5 | Y517 T518 | Y517-T535 VanDerWaalsContact O-CA 3.26Å; Y517-T535 WeakPolarHBondContact O-CA 3.44Å; T518-T535 PolarHBondContact OG1-OG1 2.98Å; T518-T535 VanDerWaalsContact OG1-OG1 3.1Å |
| 536 | G | 89.8 | Confident | 87 | Confident | 18 Ų | 18 | 77.1 Ų | 77.1 | 19% | 0.186 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.9 | 178.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y517 Y534 | Y517-G536 PolarHBondContact N-O 3.16Å; Y517-G536 PolarHBondContact O-N 2.9Å; Y517-G536 VanDerWaalsContact O-N 3.08Å; Y534-G536 VanDerWaalsContact CE1-N 3.32Å; Y534-G536 WeakPolarHBondContact OH-CA 3.15Å |
| 537 | E | 89.1 | Confident | 88.2 | Confident | 133 Ų | 133 | 75.5 Ų | 75.5 | 62% | 0.621 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -87.1 | -10 | -173.4 | -66.4 | 169.6 | -141.9 | 0 | 0 | 113.8 | V514 | V514-E537 HydrophobicContact CG1-CG 3.93Å; V514-E537 WeakPolarHBondContact CG1-OE1 3.13Å |
| 538 | E | 89 | Confident | 89.1 | Confident | 126 Ų | 126 | 77.4 Ų | 77.4 | 59% | 0.589 | 40% | 0.399 | S | S | * | . | trans | -71.3 | 151.1 | -175.1 | -53.2 | 162 | 114.6 | 0 | 0 | 111.7 | W503 Y534 A540 | W503-E538 VanDerWaalsContact CZ2-O 3.24Å; W503-E538 WeakPolarHBondContact CZ2-O 3.37Å; W503-E538 PolarHBondContact NE1-O 2.84Å; Y534-E538 VanDerWaalsContact CE2-OE2 3.25Å; Y534-E538 WeakPolarHBondContact CE2-OE2 3.44Å; Y534-E538 VanDerWaalsContact CZ-OE2 3.32Å; Y534-E538 WeakPolarHBondContact OH-CB 3.24Å; Y534-E538 VanDerWaalsContact OH-CG 3.29Å; Y534-E538 WeakPolarHBondContact OH-CG 3.29Å; Y534-E538 PolarHBondContact OH-N 2.81Å; Y534-E538 VanDerWaalsContact OH-N 3.14Å; Y534-E538 PolarHBondContact OH-OE2 3.35Å; E538-A540 VanDerWaalsContact C-N 3.34Å | ||
| 539 | Q | 91.2 | Very high | 89.7 | Confident | 92 Ų | 92 | 73.4 Ų | 73.4 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -91.8 | 8.2 | -177.6 | -70.1 | -173.4 | -110.1 | 0 | 0 | 113.9 | Q502 W503 | Q502-Q539 CarbonylContact C-O 3.59Å; Q502-Q539 WeakPolarHBondContact CA-O 3.3Å; Q502-Q539 WeakPolarHBondContact CG-O 3.38Å; W503-Q539 PolarHBondContact N-O 3.16Å; W503-Q539 PolarHBondContact O-NE2 2.96Å |
| 540 | A | 92.1 | Very high | 89.8 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 35% | 0.347 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 151 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L501 Q502 E538 | L501-A540 CarbonylContact O-C 3.48Å; L501-A540 WeakPolarHBondContact O-CA 3.32Å; L501-A540 WeakPolarHBondContact O-CB 3.26Å; Q502-A540 HydrophobicContact CB-CB 4.17Å; Q502-A540 HydrophobicContact CG-CB 4.27Å; E538-A540 VanDerWaalsContact C-N 3.34Å |
| 541 | C | 92.4 | Very high | 89.7 | Confident | 19 Ų | 19 | 74.9 Ų | 74.9 | 13% | 0.128 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 145 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | T500 L501 W503 L519 Y534 | T500-C541 WeakPolarHBondContact CA-O 3.45Å; L501-C541 PolarHBondContact N-O 3.04Å; L501-C541 PolarHBondContact O-N 3.33Å; W503-C541 HydrophobicContact CH2-CB 3.69Å; W503-C541 HydrophobicContact CZ3-CB 4.11Å; L519-C541 HydrophobicContact CD2-CB 4.32Å; Y534-C541 HydrophobicContact CD2-CB 4.12Å; Y534-C541 HydrophobicContact CG-CB 4.06Å |
| 542 | T | 94.5 | Very high | 89.8 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 102.8 | 167.1 | -60.1 | 0 | 0 | 0 | 0 | 109.3 | W498 I499 T500 K544 | W498-T542 HydrophobicContact CB-CG2 4.08Å; W498-T542 HydrophobicContact CD2-CG2 4.38Å; W498-T542 HydrophobicContact CE3-CG2 4.01Å; W498-T542 HydrophobicContact CG-CG2 4.42Å; I499-T542 CarbonylContact O-C 3.59Å; I499-T542 WeakPolarHBondContact O-CA 3.44Å; T500-T542 WeakPolarHBondContact CG2-OG1 3.22Å; T500-T542 WeakPolarHBondContact OG1-CG2 3.34Å; T500-T542 PolarHBondContact OG1-OG1 3.04Å; T542-K544 HydrophobicContact CG2-CG 4.15Å |
| 543 | V | 92.4 | Very high | 89.9 | Confident | 7 Ų | 7 | 68.8 Ų | 68.8 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 127.5 | 173.2 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | W498 I499 L519 I521 K533 L546 F554 | W498-V543 CarbonylContact C-O 3.5Å; W498-V543 WeakPolarHBondContact CA-O 3.06Å; W498-V543 WeakPolarHBondContact CB-O 3.16Å; I499-V543 PolarHBondContact N-O 3.04Å; I499-V543 PolarHBondContact O-N 2.76Å; L519-V543 HydrophobicContact CD2-CG2 3.82Å; I521-V543 HydrophobicContact CD1-CG1 4.46Å; K533-V543 HydrophobicContact CB-CG1 4.11Å; K533-V543 HydrophobicContact CB-CG2 4.08Å; K533-V543 HydrophobicContact CD-CG1 4.34Å; K533-V543 HydrophobicContact CG-CG1 3.98Å; V543-L546 HydrophobicContact CG1-CD1 4.48Å; V543-L546 HydrophobicContact CG1-CD2 3.92Å; V543-L546 HydrophobicContact CG1-CG 4.34Å; V543-F554 HydrophobicContact CB-CE1 4.45Å; V543-F554 HydrophobicContact CG2-CE1 4.08Å |
| 544 | K | 90.7 | Very high | 90.1 | Very high | 141 Ų | 141 | 64.2 Ų | 64.2 | 61% | 0.613 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 172.7 | -176.2 | -60.6 | 179.6 | -176.1 | 176.7 | 0 | 111.1 | T497 W498 T542 L546 | T497-K544 CarbonylContact O-C 3.59Å; W498-K544 HydrophobicContact CB-CB 4.45Å; W498-K544 HydrophobicContact CB-CG 4.09Å; T542-K544 HydrophobicContact CG2-CG 4.15Å; K544-L546 VanDerWaalsContact C-N 3.25Å; K544-L546 PolarHBondContact O-N 2.93Å |
| 545 | N | 89.2 | Confident | 90.1 | Very high | 152 Ų | 152 | 65.8 Ų | 65.8 | 81% | 0.813 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 63 | 30.8 | -179.4 | -51.3 | -14.5 | 0 | 0 | 0 | 113.1 | T497 | T497-N545 PolarHBondContact O-N 3.38Š|
| 546 | L | 89.8 | Confident | 90.4 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 156 | 170.4 | -57 | -179.4 | 0 | 0 | 0 | 110.2 | T497 I499 I521 V543 K544 Y552 T575 | T497-L546 VanDerWaalsContact CA-O 3.3Å; T497-L546 WeakPolarHBondContact CA-O 3.41Å; T497-L546 WeakPolarHBondContact CB-O 3.48Å; T497-L546 PolarHBondContact O-N 2.99Å; I499-L546 HydrophobicContact CB-CD1 3.94Å; I499-L546 HydrophobicContact CD1-CD1 3.79Å; I499-L546 HydrophobicContact CG1-CD1 3.73Å; I521-L546 HydrophobicContact CD1-CD2 3.78Å; V543-L546 HydrophobicContact CG1-CD1 4.48Å; V543-L546 HydrophobicContact CG1-CD2 3.92Å; V543-L546 HydrophobicContact CG1-CG 4.34Å; K544-L546 VanDerWaalsContact C-N 3.25Å; K544-L546 PolarHBondContact O-N 2.93Å; L546-Y552 HydrophobicContact CB-CE2 3.77Å; L546-Y552 HydrophobicContact CD1-CD2 4.19Å; L546-Y552 HydrophobicContact CD1-CE2 4.27Å; L546-Y552 HydrophobicContact CD2-CD1 4.21Å; L546-Y552 HydrophobicContact CD2-CE1 3.87Å; L546-Y552 HydrophobicContact CD2-CE2 4.2Å; L546-Y552 HydrophobicContact CG-CE2 4.3Å; L546-T575 HydrophobicContact CB-CG2 3.76Å; L546-T575 HydrophobicContact CD1-CG2 3.89Å; L546-T575 HydrophobicContact CG-CG2 4.5Å |
| 547 | R | 86.1 | Confident | 90.5 | Very high | 123 Ų | 123 | 61.3 Ų | 61.3 | 46% | 0.464 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 146.6 | 171.9 | -53.2 | 176.8 | -149.1 | 176.7 | 11.4 | 108.8 | E524 T550 Y552 T575 | E524-R547 IonicContact OE1-CZ 3.67Å; E524-R547 IonicContact OE1-NH1 3.27Å; E524-R547 PolarHBondContact OE1-NH1 3.11Å; E524-R547 IonicContact OE1-NH2 3.86Å; E524-R547 PolarHBondContact OE1-NH2 2.99Å; R547-T550 HydrophobicContact CB-CG2 4.29Å; R547-T550 WeakPolarHBondContact CB-OG1 3.36Å; R547-Y552 WeakPolarHBondContact CB-OH 3.48Å; R547-Y552 WeakPolarHBondContact CG-OH 3.44Å; R547-Y552 PolarHBondContact N-OH 2.88Å; R547-T575 WeakPolarHBondContact O-CB 3.33Å; R547-T575 WeakPolarHBondContact O-CG2 3.45Å; R547-T575 PolarHBondContact O-OG1 3.03Å |
| 548 | R | 86.6 | Confident | 90.6 | Very high | 83 Ų | 83 | 55 Ų | 55 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 153.8 | 177.7 | 70.1 | -172.1 | 176.6 | -170.6 | -2.1 | 112.6 | V496 T550 T575 D606 G608 | V496-R548 HydrophobicContact CG1-CB 3.58Å; V496-R548 WeakPolarHBondContact O-CA 3.41Å; R548-T550 PolarHBondContact O-N 3.3Å; R548-T550 PolarHBondContact O-OG1 3.15Å; R548-T575 VanDerWaalsContact C-OG1 3.32Å; R548-D606 IonicContact CZ-OD1 2.72Å; R548-D606 IonicContact CZ-OD2 2.64Å; R548-D606 VanDerWaalsContact CZ-OD2 3.25Å; R548-D606 IonicContact NH1-OD1 2.71Å; R548-D606 PolarHBondContact NH1-OD1 2.9Å; R548-D606 IonicContact NH1-OD2 3.22Å; R548-D606 PolarHBondContact NH1-OD2 2.8Å; R548-D606 IonicContact NH2-OD1 2.87Å; R548-D606 PolarHBondContact NH2-OD1 3.03Å; R548-D606 IonicContact NH2-OD2 2.67Å; R548-D606 PolarHBondContact NH2-OD2 3.45Å; R548-G608 WeakPolarHBondContact CD-O 3.48Å |
| 549 | S | 84.8 | Confident | 90.6 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.9 | 34.7 | 178.8 | -144.1 | 0 | 0 | 0 | 0 | 114.1 | T575 S576 G609 | S549-T575 WeakPolarHBondContact CA-O 3.36Å; S549-T575 PolarHBondContact N-OG1 3.24Å; S549-T575 VanDerWaalsContact N-OG1 3.1Å; S549-S576 PolarHBondContact N-O 3.32Å; S549-G609 WeakPolarHBondContact CB-O 3.29Å; S549-G609 PolarHBondContact OG-O 2.88Å |
| 550 | T | 86.2 | Confident | 90.2 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | trans | -119.9 | 137.2 | -172 | -61.8 | 0 | 0 | 0 | 0 | 109.2 | R547 R548 Y552 T574 T575 | R547-T550 HydrophobicContact CB-CG2 4.29Å; R547-T550 WeakPolarHBondContact CB-OG1 3.36Å; R548-T550 PolarHBondContact O-N 3.3Å; R548-T550 PolarHBondContact O-OG1 3.15Å; T550-Y552 HydrophobicContact CG2-CD2 4.41Å; T550-Y552 HydrophobicContact CG2-CE2 3.72Å; T550-Y552 WeakPolarHBondContact O-CD2 3.29Å; T550-T574 WeakPolarHBondContact O-CA 3.41Å; T550-T575 PolarHBondContact N-OG1 3.19Å; T550-T575 PolarHBondContact O-N 2.64Å; T550-T575 PolarHBondContact O-OG1 2.98Å | ||
| 551 | Q | 88.8 | Confident | 89.6 | Confident | 91 Ų | 91 | 50 Ų | 50 | 43% | 0.425 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 134.4 | 179.2 | -171.2 | 173.4 | 104.5 | 0 | 0 | 111.1 | V572 | Q551-V572 HydrophobicContact CG-CG1 3.46Å; Q551-V572 VanDerWaalsContact CG-CG1 3.46Å; Q551-V572 VanDerWaalsContact OE1-CG1 3.3Å |
| 552 | Y | 90 | Very high | 89 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.6 | -179.1 | -72.6 | -77.8 | 0 | 0 | 0 | 110.4 | I499 I521 E523 L546 R547 T550 C573 T575 | I499-Y552 HydrophobicContact CD1-CD2 4.29Å; I521-Y552 HydrophobicContact CD1-CD1 3.41Å; I521-Y552 VanDerWaalsContact CD1-CD1 3.41Å; I521-Y552 HydrophobicContact CD1-CE1 4.17Å; I521-Y552 HydrophobicContact CD1-CG 3.9Å; I521-Y552 HydrophobicContact CG1-CD1 4.01Å; E523-Y552 HydrophobicContact CB-CD1 4.31Å; E523-Y552 HydrophobicContact CB-CE1 3.82Å; E523-Y552 HydrophobicContact CG-CD1 4.23Å; E523-Y552 HydrophobicContact CG-CE1 3.82Å; L546-Y552 HydrophobicContact CB-CE2 3.77Å; L546-Y552 HydrophobicContact CD1-CD2 4.19Å; L546-Y552 HydrophobicContact CD1-CE2 4.27Å; L546-Y552 HydrophobicContact CD2-CD1 4.21Å; L546-Y552 HydrophobicContact CD2-CE1 3.87Å; L546-Y552 HydrophobicContact CD2-CE2 4.2Å; L546-Y552 HydrophobicContact CG-CE2 4.3Å; R547-Y552 WeakPolarHBondContact CB-OH 3.48Å; R547-Y552 WeakPolarHBondContact CG-OH 3.44Å; R547-Y552 PolarHBondContact N-OH 2.88Å; T550-Y552 HydrophobicContact CG2-CD2 4.41Å; T550-Y552 HydrophobicContact CG2-CE2 3.72Å; T550-Y552 WeakPolarHBondContact O-CD2 3.29Å; Y552-C573 PolarHBondContact N-O 3.23Å; Y552-C573 PolarHBondContact O-N 3.31Å; Y552-T575 HydrophobicContact CD2-CG2 4.11Å; Y552-T575 HydrophobicContact CE2-CG2 3.95Å |
| 553 | K | 92.4 | Very high | 88.3 | Confident | 40 Ų | 40 | 50.1 Ų | 50.1 | 17% | 0.174 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.8 | 176.6 | -57.6 | 177.7 | -165.3 | 154.2 | 0 | 109.5 | I521 Q522 D525 F530 I570 L571 V572 | I521-K553 CarbonylContact C-O 3.56Å; I521-K553 VanDerWaalsContact CA-O 3.26Å; I521-K553 WeakPolarHBondContact CA-O 3.42Å; I521-K553 WeakPolarHBondContact CG1-O 3.01Å; Q522-K553 HydrophobicContact CB-CB 4.25Å; Q522-K553 PolarHBondContact N-O 3.11Å; Q522-K553 VanDerWaalsContact NE2-NZ 3.13Å; Q522-K553 PolarHBondContact O-N 2.88Å; D525-K553 WeakPolarHBondContact OD1-CE 3.44Å; D525-K553 IonicContact OD1-NZ 3.86Å; D525-K553 PolarHBondContact OD1-NZ 3.21Å; F530-K553 HydrophobicContact CE1-CB 4.35Å; F530-K553 HydrophobicContact CZ-CB 4.26Å; K553-I570 HydrophobicContact CB-CG2 3.75Å; K553-I570 HydrophobicContact CD-CG2 4.49Å; K553-I570 HydrophobicContact CG-CG2 4.32Å; K553-L571 CarbonylContact C-O 3.6Å; K553-L571 WeakPolarHBondContact CA-O 3.32Å; K553-V572 HydrophobicContact CG-CG2 4.3Å |
| 554 | F | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.5 | -175.2 | -64.1 | -92.3 | 0 | 0 | 0 | 111.2 | P489 I499 L501 L519 E520 I521 V543 I570 L571 C573 | P489-F554 HydrophobicContact CG-CB 4.4Å; I499-F554 HydrophobicContact CB-CZ 4.21Å; I499-F554 HydrophobicContact CD1-CE2 3.9Å; I499-F554 HydrophobicContact CD1-CZ 4Å; I499-F554 HydrophobicContact CG2-CE2 4.26Å; I499-F554 HydrophobicContact CG2-CZ 4.13Å; L501-F554 HydrophobicContact CD1-CB 3.89Å; L501-F554 HydrophobicContact CD1-CD1 3.57Å; L501-F554 HydrophobicContact CD1-CD2 4.03Å; L501-F554 HydrophobicContact CD1-CE1 4Å; L501-F554 HydrophobicContact CD1-CE2 4.43Å; L501-F554 HydrophobicContact CD1-CG 3.57Å; L501-F554 HydrophobicContact CD1-CZ 4.41Å; L519-F554 HydrophobicContact CD1-CB 4.39Å; L519-F554 HydrophobicContact CD1-CD1 4.39Å; L519-F554 HydrophobicContact CD2-CD1 4.28Å; L519-F554 HydrophobicContact CG-CD1 4.4Å; E520-F554 WeakPolarHBondContact O-CA 3.47Å; I521-F554 HydrophobicContact CB-CD1 4.05Å; I521-F554 HydrophobicContact CB-CE1 4.06Å; I521-F554 HydrophobicContact CD1-CD1 4.14Å; I521-F554 HydrophobicContact CD1-CE1 3.35Å; I521-F554 HydrophobicContact CD1-CE2 4.28Å; I521-F554 HydrophobicContact CD1-CZ 3.44Å; I521-F554 VanDerWaalsContact CD1-CZ 3.44Å; I521-F554 HydrophobicContact CG1-CD1 3.76Å; I521-F554 HydrophobicContact CG1-CE1 3.51Å; I521-F554 HydrophobicContact CG1-CE2 4.38Å; I521-F554 HydrophobicContact CG1-CG 4.31Å; I521-F554 HydrophobicContact CG1-CZ 3.85Å; V543-F554 HydrophobicContact CB-CE1 4.45Å; V543-F554 HydrophobicContact CG2-CE1 4.08Å; F554-I570 WeakPolarHBondContact O-CA 3.38Å; F554-L571 HydrophobicContact CB-CB 4.36Å; F554-L571 PolarHBondContact N-O 3.11Å; F554-L571 PolarHBondContact O-N 3.35Å; F554-C573 HydrophobicContact CD2-CB 4.49Å; F554-C573 HydrophobicContact CE2-CB 4.16Å |
| 555 | R | 94.1 | Very high | 87.8 | Confident | 67 Ų | 67 | 48.1 Ų | 48.1 | 25% | 0.253 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 150.1 | 170.5 | 70.5 | -173.4 | -170.7 | -175.9 | 4.8 | 110.9 | E520 F530 F557 | E520-R555 HydrophobicContact CB-CG 4.11Å; E520-R555 PolarHBondContact N-O 3.38Å; E520-R555 PolarHBondContact O-N 2.92Å; E520-R555 IonicContact OE2-CZ 3.28Å; E520-R555 VanDerWaalsContact OE2-CZ 3.22Å; E520-R555 IonicContact OE2-NE 3.87Å; E520-R555 PolarHBondContact OE2-NE 3.11Å; E520-R555 IonicContact OE2-NH2 2.84Å; E520-R555 PolarHBondContact OE2-NH2 2.79Å; F530-R555 HydrophobicContact CD1-CG 3.67Å; F530-R555 HydrophobicContact CE1-CB 4.28Å; F530-R555 HydrophobicContact CE1-CG 3.87Å; F530-R555 HydrophobicContact CG-CG 4.3Å; R555-F557 HydrophobicContact CG-CE2 3.99Å |
| 556 | L | 94.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 147.6 | -174.2 | -170.3 | 68.6 | 0 | 0 | 0 | 111 | P486 W503 Y517 L519 P567 S568 | P486-L556 HydrophobicContact CB-CD2 4.01Å; P486-L556 HydrophobicContact CB-CG 4.35Å; P486-L556 HydrophobicContact CG-CB 4.22Å; P486-L556 HydrophobicContact CG-CD2 4.32Å; P486-L556 HydrophobicContact CG-CG 4.13Å; P486-L556 WeakPolarHBondContact CG-O 2.82Å; W503-L556 HydrophobicContact CB-CD2 3.45Å; W503-L556 VanDerWaalsContact CB-CD2 3.45Å; W503-L556 HydrophobicContact CD2-CD1 3.92Å; W503-L556 HydrophobicContact CD2-CD2 3.62Å; W503-L556 HydrophobicContact CD2-CG 4.45Å; W503-L556 HydrophobicContact CE3-CD1 4.11Å; W503-L556 HydrophobicContact CE3-CD2 4.18Å; W503-L556 HydrophobicContact CG-CD1 4.43Å; W503-L556 HydrophobicContact CG-CD2 3.29Å; W503-L556 HydrophobicContact CG-CG 4.49Å; W503-L556 HydrophobicContact CH2-CD1 4.27Å; W503-L556 HydrophobicContact CZ2-CD1 4.1Å; W503-L556 HydrophobicContact CZ3-CD1 4.28Å; Y517-L556 HydrophobicContact CD1-CD2 4.39Å; L519-L556 HydrophobicContact CB-CD1 4.15Å; L519-L556 HydrophobicContact CD1-CD1 4.07Å; L556-P567 CarbonylContact O-C 3.56Å; L556-P567 WeakPolarHBondContact O-CA 3.39Å; L556-S568 PolarHBondContact N-OG 3.46Å; L556-S568 PolarHBondContact O-N 3.45Å |
| 557 | F | 93.1 | Very high | 87.9 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 150.2 | 171.7 | -61.7 | -103.7 | 0 | 0 | 0 | 110.2 | Y517 T518 E520 R555 K564 S565 P567 | Y517-F557 CarbonylContact C-O 3.49Å; Y517-F557 VanDerWaalsContact CA-O 3.26Å; Y517-F557 WeakPolarHBondContact CA-O 3.37Å; T518-F557 PolarHBondContact N-O 3.32Å; T518-F557 PolarHBondContact O-N 3.49Å; E520-F557 HydrophobicContact CG-CD2 4.43Å; E520-F557 HydrophobicContact CG-CE2 4.14Å; E520-F557 VanDerWaalsContact OE1-CE2 3.23Å; E520-F557 WeakPolarHBondContact OE1-CE2 3.48Å; E520-F557 VanDerWaalsContact OE2-CE2 3.29Å; E520-F557 WeakPolarHBondContact OE2-CE2 3.36Å; R555-F557 HydrophobicContact CG-CE2 3.99Å; F557-K564 HydrophobicContact CB-CD 4.3Å; F557-K564 VanDerWaalsContact CB-CE 3.46Å; F557-K564 HydrophobicContact CB-CG 3.99Å; F557-K564 HydrophobicContact CD1-CD 4.12Å; F557-K564 HydrophobicContact CD1-CG 3.91Å; F557-K564 HydrophobicContact CG-CD 4.28Å; F557-K564 HydrophobicContact CG-CG 4.25Å; F557-S565 WeakPolarHBondContact CD1-O 3.47Å; F557-P567 HydrophobicContact CD1-CB 4.2Å; F557-P567 HydrophobicContact CE1-CB 3.65Å; F557-P567 HydrophobicContact CE1-CG 4.1Å; F557-P567 HydrophobicContact CE2-CB 4.06Å; F557-P567 HydrophobicContact CZ-CB 3.59Å; F557-P567 HydrophobicContact CZ-CG 4.22Å |
| 558 | A | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | P483 V506 I515 S516 Y517 S565 | P483-A558 HydrophobicContact CB-CB 3.8Å; P483-A558 HydrophobicContact CG-CB 4.34Å; V506-A558 HydrophobicContact CB-CB 4.41Å; V506-A558 HydrophobicContact CG2-CB 3.83Å; I515-A558 HydrophobicContact CG2-CB 3.88Å; S516-A558 CarbonylContact O-C 3.46Å; S516-A558 WeakPolarHBondContact O-CA 3.21Å; Y517-A558 HydrophobicContact CD1-CB 4.16Å; Y517-A558 HydrophobicContact CE1-CB 3.94Å; A558-S565 PolarHBondContact N-OG 3.38Å; A558-S565 VanDerWaalsContact O-CB 3.31Å; A558-S565 WeakPolarHBondContact O-CB 3.32Å; A558-S565 PolarHBondContact O-N 3.09Å; A558-S565 PolarHBondContact O-OG 3.11Å |
| 559 | S | 88.6 | Confident | 88.5 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 12% | 0.119 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136.4 | -175.4 | -45.3 | 0 | 0 | 0 | 0 | 112.2 | S516 G563 K564 | S516-S559 PolarHBondContact N-O 3.33Å; S516-S559 PolarHBondContact O-N 3.25Å; S516-S559 PolarHBondContact OG-O 3.41Å; S559-G563 VanDerWaalsContact CA-O 3.28Å; S559-G563 WeakPolarHBondContact CA-O 3.41Å; S559-K564 WeakPolarHBondContact OG-CB 3.32Å; S559-K564 WeakPolarHBondContact OG-CG 3.49Å |
| 560 | N | 84.5 | Confident | 88.8 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | trans | -128.3 | -165 | 174.9 | 69.9 | -4.1 | 0 | 0 | 0 | 110.8 | N481 P483 E513 E562 G563 | N481-N560 PolarHBondContact O-ND2 2.96Å; P483-N560 WeakPolarHBondContact CD-OD1 3.43Å; P483-N560 HydrophobicContact CG-CB 3.97Å; E513-N560 HydrophobicContact CG-CB 4.3Å; E513-N560 PolarHBondContact OE1-ND2 3.33Å; N560-E562 PolarHBondContact O-N 2.87Å; N560-E562 PolarHBondContact OD1-N 2.97Å; N560-G563 PolarHBondContact N-O 3.17Å; N560-G563 PolarHBondContact O-N 3.33Å; N560-G563 PolarHBondContact OD1-N 3.26Å; N560-G563 PolarHBondContact OD1-O 3.46Å | ||
| 561 | V | 78.9 | Confident | 89.2 | Confident | 116 Ų | 116 | 46.5 Ų | 46.5 | 70% | 0.703 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -71.1 | -5.5 | 179 | -59.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 562 | E | 79.7 | Confident | 89.3 | Confident | 56 Ų | 56 | 45.7 Ų | 45.7 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -105.8 | -22.1 | 176.7 | -60.8 | -66.1 | 160.7 | 0 | 0 | 112.7 | R398 A479 G480 I482 N560 | R398-E562 IonicContact CZ-OE1 2.59Å; R398-E562 VanDerWaalsContact CZ-OE1 3.27Å; R398-E562 IonicContact NE-OE1 2.65Å; R398-E562 PolarHBondContact NE-OE1 3.37Å; R398-E562 IonicContact NE-OE2 2.97Å; R398-E562 IonicContact NH2-OE1 3.95Å; R398-E562 PolarHBondContact NH2-OE1 3.16Å; R398-E562 IonicContact NH2-OE2 3.37Å; A479-E562 WeakPolarHBondContact CA-OE1 3.35Å; G480-E562 VanDerWaalsContact N-CD 3.27Å; G480-E562 PolarHBondContact N-OE1 3.32Å; I482-E562 HydrophobicContact CG1-CB 4.22Å; N560-E562 PolarHBondContact O-N 2.87Å; N560-E562 PolarHBondContact OD1-N 2.97Å |
| 563 | G | 79.4 | Confident | 89.3 | Confident | 24 Ų | 24 | 46 Ų | 46 | 25% | 0.247 | 25% | 0.25 | C | C | . | . | trans | 158.9 | -177.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S559 N560 | S559-G563 VanDerWaalsContact CA-O 3.28Å; S559-G563 WeakPolarHBondContact CA-O 3.41Å; N560-G563 PolarHBondContact N-O 3.17Å; N560-G563 PolarHBondContact O-N 3.33Å; N560-G563 PolarHBondContact OD1-N 3.26Å; N560-G563 PolarHBondContact OD1-O 3.46Å | ||
| 564 | K | 84.1 | Confident | 89.1 | Confident | 92 Ų | 92 | 47.3 Ų | 47.3 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | -94.5 | 137.5 | 173 | 179.3 | 170.5 | 175.9 | 177.6 | 0 | 109.7 | I482 E520 F557 S559 | I482-K564 WeakPolarHBondContact CG2-O 3.3Å; E520-K564 IonicContact OE1-NZ 2.79Å; E520-K564 PolarHBondContact OE1-NZ 3.42Å; F557-K564 HydrophobicContact CB-CD 4.3Å; F557-K564 VanDerWaalsContact CB-CE 3.46Å; F557-K564 HydrophobicContact CB-CG 3.99Å; F557-K564 HydrophobicContact CD1-CD 4.12Å; F557-K564 HydrophobicContact CD1-CG 3.91Å; F557-K564 HydrophobicContact CG-CD 4.28Å; F557-K564 HydrophobicContact CG-CG 4.25Å; S559-K564 WeakPolarHBondContact OG-CB 3.32Å; S559-K564 WeakPolarHBondContact OG-CG 3.49Å |
| 565 | S | 89.6 | Confident | 89 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | trans | -67.2 | 178.8 | 179.3 | 71.3 | 0 | 0 | 0 | 0 | 112.9 | P483 P486 F557 A558 | P483-S565 WeakPolarHBondContact O-CB 3.35Å; P486-S565 WeakPolarHBondContact CD-OG 3.41Å; F557-S565 WeakPolarHBondContact CD1-O 3.47Å; A558-S565 PolarHBondContact N-OG 3.38Å; A558-S565 VanDerWaalsContact O-CB 3.31Å; A558-S565 WeakPolarHBondContact O-CB 3.32Å; A558-S565 PolarHBondContact O-N 3.09Å; A558-S565 PolarHBondContact O-OG 3.11Å | ||
| 566 | S | 88.3 | Confident | 88.8 | Confident | 74 Ų | 74 | 46.2 Ų | 46.2 | 52% | 0.517 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 157.7 | 157.1 | -68.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 567 | P | 91.3 | Very high | 88.5 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 150.8 | 174.1 | 27.4 | -33 | 0 | 0 | 0 | 111.6 | T485 L556 F557 | T485-P567 WeakPolarHBondContact CG2-O 3.14Å; L556-P567 CarbonylContact O-C 3.56Å; L556-P567 WeakPolarHBondContact O-CA 3.39Å; F557-P567 HydrophobicContact CD1-CB 4.2Å; F557-P567 HydrophobicContact CE1-CB 3.65Å; F557-P567 HydrophobicContact CE1-CG 4.1Å; F557-P567 HydrophobicContact CE2-CB 4.06Å; F557-P567 HydrophobicContact CZ-CB 3.59Å; F557-P567 HydrophobicContact CZ-CG 4.22Å |
| 568 | S | 92.8 | Very high | 88.3 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 168 | 162.3 | 73.1 | 0 | 0 | 0 | 0 | 111.9 | P486 L556 | P486-S568 WeakPolarHBondContact O-CA 3.42Å; P486-S568 WeakPolarHBondContact O-CB 3.23Å; L556-S568 PolarHBondContact N-OG 3.46Å; L556-S568 PolarHBondContact O-N 3.45Å |
| 569 | E | 92.4 | Very high | 88.2 | Confident | 159 Ų | 159 | 57.7 Ų | 57.7 | 74% | 0.743 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 155.5 | 159.2 | -60 | -178.2 | 152.6 | 0 | 0 | 111 | A488 | A488-E569 HydrophobicContact CB-CB 4.29Š|
| 570 | I | 92.6 | Very high | 88.4 | Confident | 91 Ų | 91 | 57.1 Ų | 57.1 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 117.6 | -175.7 | -63.1 | 171.3 | 0 | 0 | 0 | 109.7 | F530 K553 F554 V572 | F530-I570 HydrophobicContact CE2-CD1 4.49Å; F530-I570 HydrophobicContact CZ-CD1 4.01Å; F530-I570 HydrophobicContact CZ-CG1 4.31Å; K553-I570 HydrophobicContact CB-CG2 3.75Å; K553-I570 HydrophobicContact CD-CG2 4.49Å; K553-I570 HydrophobicContact CG-CG2 4.32Å; F554-I570 WeakPolarHBondContact O-CA 3.38Å; I570-V572 HydrophobicContact CG2-CG2 4.4Å |
| 571 | L | 93.3 | Very high | 88.8 | Confident | 35 Ų | 35 | 57 Ų | 57 | 18% | 0.183 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 129.2 | 167 | 177 | 76.1 | 0 | 0 | 0 | 109.3 | P489 L501 K553 F554 C573 | P489-L571 HydrophobicContact CB-CD2 4.48Å; P489-L571 HydrophobicContact CG-CB 4.01Å; P489-L571 HydrophobicContact CG-CD2 4.15Å; P489-L571 WeakPolarHBondContact O-CD2 3.33Å; L501-L571 HydrophobicContact CD1-CD2 4.02Å; L501-L571 HydrophobicContact CD2-CD2 3.5Å; L501-L571 HydrophobicContact CG-CD2 4.41Å; K553-L571 CarbonylContact C-O 3.6Å; K553-L571 WeakPolarHBondContact CA-O 3.32Å; F554-L571 HydrophobicContact CB-CB 4.36Å; F554-L571 PolarHBondContact N-O 3.11Å; F554-L571 PolarHBondContact O-N 3.35Å; L571-C573 WeakPolarHBondContact CD2-SG 3.28Å; L571-C573 VanDerWaalsContact CG-SG 3.6Å |
| 572 | V | 91.8 | Very high | 89.5 | Confident | 73 Ų | 73 | 54.4 Ų | 54.4 | 44% | 0.442 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.4 | 172.1 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | Q551 K553 I570 | Q551-V572 HydrophobicContact CG-CG1 3.46Å; Q551-V572 VanDerWaalsContact CG-CG1 3.46Å; Q551-V572 VanDerWaalsContact OE1-CG1 3.3Å; K553-V572 HydrophobicContact CG-CG2 4.3Å; I570-V572 HydrophobicContact CG2-CG2 4.4Å |
| 573 | C | 89.1 | Confident | 90.2 | Very high | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 140.7 | -178.7 | -73.4 | 0 | 0 | 0 | 0 | 111.4 | I499 Y552 F554 L571 | I499-C573 HydrophobicContact CD1-CB 3.92Å; Y552-C573 PolarHBondContact N-O 3.23Å; Y552-C573 PolarHBondContact O-N 3.31Å; F554-C573 HydrophobicContact CD2-CB 4.49Å; F554-C573 HydrophobicContact CE2-CB 4.16Å; L571-C573 WeakPolarHBondContact CD2-SG 3.28Å; L571-C573 VanDerWaalsContact CG-SG 3.6Å |
| 574 | T | 89.3 | Confident | 91 | Very high | 68 Ų | 68 | 53.7 Ų | 53.7 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.5 | 172.3 | -44.1 | 0 | 0 | 0 | 0 | 110 | T550 | T550-T574 WeakPolarHBondContact O-CA 3.41Å |
| 575 | T | 90.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -67 | 153.1 | 166.5 | 43.5 | 0 | 0 | 0 | 0 | 111 | G495 I499 L546 R547 R548 S549 T550 Y552 | G495-T575 WeakPolarHBondContact O-CB 3.25Å; I499-T575 HydrophobicContact CD1-CG2 3.92Å; I499-T575 HydrophobicContact CG1-CG2 3.99Å; L546-T575 HydrophobicContact CB-CG2 3.76Å; L546-T575 HydrophobicContact CD1-CG2 3.89Å; L546-T575 HydrophobicContact CG-CG2 4.5Å; R547-T575 WeakPolarHBondContact O-CB 3.33Å; R547-T575 WeakPolarHBondContact O-CG2 3.45Å; R547-T575 PolarHBondContact O-OG1 3.03Å; R548-T575 VanDerWaalsContact C-OG1 3.32Å; S549-T575 WeakPolarHBondContact CA-O 3.36Å; S549-T575 PolarHBondContact N-OG1 3.24Å; S549-T575 VanDerWaalsContact N-OG1 3.1Å; T550-T575 PolarHBondContact N-OG1 3.19Å; T550-T575 PolarHBondContact O-N 2.64Å; T550-T575 PolarHBondContact O-OG1 2.98Å; Y552-T575 HydrophobicContact CD2-CG2 4.11Å; Y552-T575 HydrophobicContact CE2-CG2 3.95Å |
| 576 | S | 89.9 | Confident | 91.7 | Very high | 41 Ų | 41 | 53.3 Ų | 53.3 | 29% | 0.287 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 150.7 | 177.2 | -50.7 | 0 | 0 | 0 | 0 | 111.1 | A494 G495 S549 | A494-S576 PolarHBondContact O-OG 3.3Å; G495-S576 PolarHBondContact O-N 3.46Å; S549-S576 PolarHBondContact N-O 3.32Å |
| 577 | P | 88.5 | Confident | 92.1 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 154.6 | 162.4 | 29.9 | -34.3 | 0 | 0 | 0 | 110.3 | ||
| 578 | D | 89.4 | Confident | 92.3 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 34% | 0.337 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 170.7 | 171.8 | -153.2 | -10 | 0 | 0 | 0 | 110.8 | V496 G608 G661 | V496-D578 HydrophobicContact CG1-CB 3.62Å; V496-D578 HydrophobicContact CG2-CB 4.29Å; D578-G608 PolarHBondContact N-O 2.92Å; D578-G661 WeakPolarHBondContact O-CA 3.42Å |
| 579 | R | 89.4 | Confident | 92.3 | Very high | 166 Ų | 166 | 58.7 Ų | 58.7 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 143.8 | 168.6 | -67.5 | 175.9 | -176.1 | -159.1 | 3.8 | 110 | G661 H663 | R579-G661 VanDerWaalsContact CG-O 3.32Å; R579-G661 WeakPolarHBondContact CG-O 3.48Å; R579-H663 WeakPolarHBondContact CD-O 3.5Å |
| 580 | P | 92.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.032 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -70 | 155 | 173.3 | 22.7 | -19.8 | 0 | 0 | 0 | 110.7 | P604 I612 S659 G662 S664 | P580-P604 HydrophobicContact CB-CG 4.3Å; P580-I612 HydrophobicContact CB-CD1 3.59Å; P580-I612 HydrophobicContact CG-CD1 3.96Å; P580-S659 WeakPolarHBondContact CD-OG 3.35Å; P580-G662 WeakPolarHBondContact CD-O 3.29Å; P580-S664 VanDerWaalsContact O-CA 3.24Å; P580-S664 WeakPolarHBondContact O-CA 3.49Å; P580-S664 WeakPolarHBondContact O-CB 3.4Å |
| 581 | G | 92.1 | Very high | 92 | Very high | 21 Ų | 21 | 54.9 Ų | 54.9 | 22% | 0.216 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 169.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P604 D606 S664 | G581-P604 WeakPolarHBondContact O-CB 3.21Å; G581-D606 PolarHBondContact N-O 3.48Å; G581-S664 WeakPolarHBondContact O-CB 3.44Å |
| 582 | P | 93.4 | Very high | 92 | Very high | 60 Ų | 60 | 55.7 Ų | 55.7 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 141 | 172.5 | 28.1 | -34 | 0 | 0 | 0 | 110.9 | P604 Q665 | P582-P604 WeakPolarHBondContact O-CB 3.39Å; P582-Q665 WeakPolarHBondContact CA-O 3.24Å; P582-Q665 WeakPolarHBondContact CB-O 3.44Å |
| 583 | P | 95.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.032 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 164.3 | 162.3 | -23.1 | 34.1 | 0 | 0 | 0 | 111.6 | Y615 A655 C657 S667 | P583-Y615 HydrophobicContact CB-CE1 4.49Å; P583-Y615 HydrophobicContact CG-CD1 4.02Å; P583-Y615 HydrophobicContact CG-CE1 4.15Å; P583-A655 HydrophobicContact CB-CB 4Å; P583-A655 WeakPolarHBondContact CD-O 3.13Å; P583-A655 HydrophobicContact CG-CB 4.28Å; P583-C657 HydrophobicContact CG-CB 3.9Å; P583-S667 WeakPolarHBondContact O-CB 3.24Å |
| 584 | T | 94.4 | Very high | 91.8 | Very high | 61 Ų | 61 | 56.5 Ų | 56.5 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 151.5 | 173.4 | 64.6 | 0 | 0 | 0 | 0 | 111 | P586 D602 | T584-P586 WeakPolarHBondContact O-CD 3.24Å; T584-D602 HydrophobicContact CG2-CB 3.9Å; T584-D602 PolarHBondContact N-O 3.41Å; T584-D602 WeakPolarHBondContact OG1-CB 3.17Å; T584-D602 PolarHBondContact OG1-N 3.39Å |
| 585 | R | 94.1 | Very high | 91.7 | Very high | 97 Ų | 97 | 57.7 Ų | 57.7 | 37% | 0.366 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 126.8 | 174.4 | -179.4 | 176.6 | -176.5 | -96.6 | 12.6 | 109.7 | E668 S669 P671 | R585-E668 HydrophobicContact CB-CB 4.32Å; R585-E668 HydrophobicContact CG-CB 4.12Å; R585-S669 PolarHBondContact NE-O 3.46Å; R585-S669 PolarHBondContact NH2-O 2.92Å; R585-P671 VanDerWaalsContact NH2-CD 3.3Å |
| 586 | P | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 144.4 | 176.9 | -29.6 | 35.2 | 0 | 0 | 0 | 112.9 | T584 V599 K600 L617 A655 S667 L670 | T584-P586 WeakPolarHBondContact O-CD 3.24Å; P586-V599 HydrophobicContact CB-CB 4.36Å; P586-V599 HydrophobicContact CB-CG1 4.44Å; P586-K600 CarbonylContact C-O 3.44Å; P586-K600 WeakPolarHBondContact CA-O 3.24Å; P586-L617 HydrophobicContact CG-CD1 4.21Å; P586-A655 HydrophobicContact CG-CB 3.93Å; P586-S667 VanDerWaalsContact CD-OG 3.24Å; P586-S667 WeakPolarHBondContact CD-OG 3.43Å; P586-L670 HydrophobicContact CB-CB 4.3Å; P586-L670 HydrophobicContact CB-CD2 4.14Å; P586-L670 WeakPolarHBondContact O-CD2 3.5Å |
| 587 | I | 95.3 | Very high | 92.1 | Very high | 93 Ų | 93 | 56 Ų | 56 | 48% | 0.477 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 149.6 | 174.2 | 58.6 | 168.9 | 0 | 0 | 0 | 110.1 | V599 K600 | I587-V599 CarbonylContact O-C 3.44Å; I587-V599 VanDerWaalsContact O-CA 3.24Å; I587-V599 WeakPolarHBondContact O-CA 3.35Å; I587-K600 HydrophobicContact CG1-CB 4.41Å; I587-K600 WeakPolarHBondContact CG1-O 3.49Å; I587-K600 PolarHBondContact N-O 2.97Å; I587-K600 PolarHBondContact O-N 3.18Å |
| 588 | I | 96.3 | Very high | 92.4 | Very high | 59 Ų | 59 | 56 Ų | 56 | 30% | 0.303 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 137.3 | 175.2 | -64.4 | -64.5 | 0 | 0 | 0 | 110.4 | G590 I592 F597 V599 L670 V672 | I588-G590 VanDerWaalsContact CG2-O 3.27Å; I588-G590 WeakPolarHBondContact CG2-O 3.49Å; I588-I592 HydrophobicContact CD1-CD1 4.44Å; I588-I592 HydrophobicContact CD1-CG1 4.38Å; I588-I592 HydrophobicContact CG1-CD1 4.45Å; I588-I592 HydrophobicContact CG2-CG1 4.16Å; I588-F597 HydrophobicContact CD1-CB 4.29Å; I588-F597 HydrophobicContact CD1-CD2 4Å; I588-F597 HydrophobicContact CD1-CG 4.22Å; I588-V599 HydrophobicContact CD1-CG1 4.04Å; I588-L670 HydrophobicContact CD1-CD2 4.12Å; I588-L670 HydrophobicContact CG1-CD2 4.28Å; I588-V672 HydrophobicContact CD1-CB 4.47Å; I588-V672 HydrophobicContact CD1-CG1 3.77Å; I588-V672 HydrophobicContact CD1-CG2 3.8Å |
| 589 | K | 93.3 | Very high | 92.7 | Very high | 97 Ų | 97 | 53 Ų | 53 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 107.4 | 175.2 | -179.9 | -178 | 176.2 | 178.3 | 0 | 109.1 | S598 E639 | K589-S598 PolarHBondContact N-O 2.97Å; K589-S598 WeakPolarHBondContact O-CB 3.47Å; K589-E639 IonicContact NZ-OE1 3.81Å; K589-E639 PolarHBondContact NZ-OE1 3.26Å; K589-E639 IonicContact NZ-OE2 2.7Å; K589-E639 PolarHBondContact NZ-OE2 3.43Å |
| 590 | G | 89.9 | Confident | 93 | Very high | 57 Ų | 57 | 47.8 Ų | 47.8 | 59% | 0.588 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 79.6 | -164.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I588 | I588-G590 VanDerWaalsContact CG2-O 3.27Å; I588-G590 WeakPolarHBondContact CG2-O 3.49Å |
| 591 | P | 89 | Confident | 93.2 | Very high | 112 Ų | 112 | 47.5 Ų | 47.5 | 73% | 0.727 | 27% | 0.273 | S | S | * | . | trans | -72.3 | 150.9 | -177.9 | 30.2 | -34.9 | 0 | 0 | 0 | 112.5 | ||||
| 592 | I | 92 | Very high | 93.4 | Very high | 53 Ų | 53 | 49.8 Ų | 49.8 | 27% | 0.272 | 28% | 0.28 | S | S | . | . | trans | -85.9 | 140.9 | 166 | -62.5 | 168.3 | 0 | 0 | 0 | 107.8 | I588 F597 V672 L675 | I588-I592 HydrophobicContact CD1-CD1 4.44Å; I588-I592 HydrophobicContact CD1-CG1 4.38Å; I588-I592 HydrophobicContact CG1-CD1 4.45Å; I588-I592 HydrophobicContact CG2-CG1 4.16Å; I592-F597 HydrophobicContact CB-CB 4.42Å; I592-F597 HydrophobicContact CG1-CB 4.08Å; I592-F597 HydrophobicContact CG2-CB 4.33Å; I592-F597 HydrophobicContact CG2-CD1 4.31Å; I592-V672 HydrophobicContact CD1-CG1 3.8Å; I592-V672 HydrophobicContact CG1-CG1 4.36Å; I592-L675 HydrophobicContact CG2-CG 4.41Å; I592-L675 WeakPolarHBondContact O-CD1 3.29Å | ||
| 593 | T | 89.7 | Confident | 93.4 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | trans | -113.6 | -178.3 | 172.6 | 77.2 | 0 | 0 | 0 | 0 | 110.5 | H595 G596 L675 | T593-H595 PolarHBondContact OG1-N 3.24Å; T593-G596 PolarHBondContact N-O 3.01Å; T593-G596 PolarHBondContact OG1-N 3.31Å; T593-G596 VanDerWaalsContact OG1-N 3.11Å; T593-G596 PolarHBondContact OG1-O 3.06Å; T593-G596 VanDerWaalsContact OG1-O 3.08Å; T593-L675 PolarHBondContact O-N 2.88Å | ||
| 594 | S | 87 | Confident | 93.4 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -69.5 | -36.9 | 173.9 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | K646 P647 T674 L675 | S594-K646 CarbonylContact O-C 3.51Å; S594-P647 VanDerWaalsContact O-CA 3.28Å; S594-P647 WeakPolarHBondContact O-CA 3.47Å; S594-T674 VanDerWaalsContact O-CB 3.3Å; S594-T674 WeakPolarHBondContact O-CB 3.39Å; S594-T674 WeakPolarHBondContact O-CG2 3.37Å; S594-L675 WeakPolarHBondContact CA-O 3.41Å |
| 595 | H | 88 | Confident | 93.2 | Very high | 93 Ų | 93 | 57.6 Ų | 57.6 | 43% | 0.431 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -108.8 | 8.4 | -174.6 | -61.4 | -66.3 | 0 | 0 | 0 | 114 | T593 T643 H644 L645 P647 | T593-H595 PolarHBondContact OG1-N 3.24Å; H595-T643 CarbonylContact O-C 3.55Å; H595-T643 VanDerWaalsContact O-C 3.28Å; H595-T643 WeakPolarHBondContact O-CA 3.47Å; H595-H644 PolarHBondContact O-N 3Å; H595-L645 WeakPolarHBondContact CA-O 3.13Å; H595-L645 PolarHBondContact ND1-O 3.11Å; H595-L645 PolarHBondContact O-N 2.91Å; H595-P647 WeakPolarHBondContact CE1-CG 3.25Å |
| 596 | G | 91.8 | Very high | 93 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | trans | 178.4 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | T593 C642 | T593-G596 PolarHBondContact N-O 3.01Å; T593-G596 PolarHBondContact OG1-N 3.31Å; T593-G596 VanDerWaalsContact OG1-N 3.11Å; T593-G596 PolarHBondContact OG1-O 3.06Å; T593-G596 VanDerWaalsContact OG1-O 3.08Å; G596-C642 CarbonylContact C-O 3.59Å; G596-C642 WeakPolarHBondContact CA-O 3.32Å | ||
| 597 | F | 95.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 155.6 | 171.1 | 46.1 | -101.6 | 0 | 0 | 0 | 109 | I588 I592 V599 C642 L645 Y651 L653 V672 T674 | I588-F597 HydrophobicContact CD1-CB 4.29Å; I588-F597 HydrophobicContact CD1-CD2 4Å; I588-F597 HydrophobicContact CD1-CG 4.22Å; I592-F597 HydrophobicContact CB-CB 4.42Å; I592-F597 HydrophobicContact CG1-CB 4.08Å; I592-F597 HydrophobicContact CG2-CB 4.33Å; I592-F597 HydrophobicContact CG2-CD1 4.31Å; F597-V599 HydrophobicContact CD2-CG1 4.09Å; F597-V599 HydrophobicContact CE2-CG1 4.21Å; F597-C642 HydrophobicContact CD2-CB 4.4Å; F597-C642 HydrophobicContact CE2-CB 4.09Å; F597-C642 HydrophobicContact CZ-CB 4.45Å; F597-C642 PolarHBondContact N-O 2.84Å; F597-C642 PolarHBondContact O-N 2.86Å; F597-L645 HydrophobicContact CD1-CD1 3.84Å; F597-L645 HydrophobicContact CE1-CD1 3.22Å; F597-L645 HydrophobicContact CE2-CD1 4.43Å; F597-L645 HydrophobicContact CZ-CD1 3.55Å; F597-Y651 HydrophobicContact CE1-CD2 4.48Å; F597-L653 HydrophobicContact CE2-CD1 3.63Å; F597-L653 HydrophobicContact CE2-CD2 3.77Å; F597-L653 HydrophobicContact CE2-CG 4.35Å; F597-L653 HydrophobicContact CZ-CD1 3.68Å; F597-L653 HydrophobicContact CZ-CD2 4.25Å; F597-V672 HydrophobicContact CD1-CB 4.42Å; F597-V672 HydrophobicContact CD1-CG1 3.59Å; F597-V672 HydrophobicContact CD2-CG1 4.31Å; F597-V672 HydrophobicContact CE1-CB 3.94Å; F597-V672 HydrophobicContact CE1-CG1 3.59Å; F597-V672 HydrophobicContact CE2-CB 4.41Å; F597-V672 HydrophobicContact CE2-CG1 4.33Å; F597-V672 HydrophobicContact CE2-CG2 4.3Å; F597-V672 HydrophobicContact CG-CG1 3.97Å; F597-V672 HydrophobicContact CZ-CB 3.96Å; F597-V672 HydrophobicContact CZ-CG1 4Å; F597-V672 HydrophobicContact CZ-CG2 4.28Å; F597-T674 HydrophobicContact CD1-CG2 4.11Å; F597-T674 HydrophobicContact CE1-CG2 4.04Å |
| 598 | S | 95.1 | Very high | 92.2 | Very high | 29 Ų | 29 | 54.8 Ų | 54.8 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 139.3 | 171.4 | -55 | 0 | 0 | 0 | 0 | 111 | K589 Y640 T641 | K589-S598 PolarHBondContact N-O 2.97Å; K589-S598 WeakPolarHBondContact O-CB 3.47Å; S598-Y640 WeakPolarHBondContact CA-O 3.29Å; S598-T641 PolarHBondContact OG-OG1 2.91Å; S598-T641 VanDerWaalsContact OG-OG1 3.05Å |
| 599 | V | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 147.3 | 171.4 | -76.4 | 0 | 0 | 0 | 0 | 110.9 | P586 I587 I588 F597 W601 L617 E639 Y640 L653 L670 | P586-V599 HydrophobicContact CB-CB 4.36Å; P586-V599 HydrophobicContact CB-CG1 4.44Å; I587-V599 CarbonylContact O-C 3.44Å; I587-V599 VanDerWaalsContact O-CA 3.24Å; I587-V599 WeakPolarHBondContact O-CA 3.35Å; I588-V599 HydrophobicContact CD1-CG1 4.04Å; F597-V599 HydrophobicContact CD2-CG1 4.09Å; F597-V599 HydrophobicContact CE2-CG1 4.21Å; V599-W601 HydrophobicContact CG2-CZ3 4.19Å; V599-L617 HydrophobicContact CG2-CD1 4.25Å; V599-L617 HydrophobicContact CG2-CD2 3.59Å; V599-E639 CarbonylContact O-C 3.53Å; V599-E639 VanDerWaalsContact O-CA 3.24Å; V599-E639 WeakPolarHBondContact O-CA 3.16Å; V599-E639 WeakPolarHBondContact O-CB 3.44Å; V599-Y640 PolarHBondContact N-O 2.99Å; V599-Y640 PolarHBondContact O-N 2.79Å; V599-L653 HydrophobicContact CG2-CD2 4.39Å; V599-L670 HydrophobicContact CG1-CD2 3.86Å |
| 600 | K | 96.3 | Very high | 91.4 | Very high | 55 Ų | 55 | 49.3 Ų | 49.3 | 24% | 0.239 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146.6 | 168.5 | 175.8 | 175.7 | 177.4 | -56 | 0 | 109.4 | P586 I587 D602 T638 E639 | P586-K600 CarbonylContact C-O 3.44Å; P586-K600 WeakPolarHBondContact CA-O 3.24Å; I587-K600 HydrophobicContact CG1-CB 4.41Å; I587-K600 WeakPolarHBondContact CG1-O 3.49Å; I587-K600 PolarHBondContact N-O 2.97Å; I587-K600 PolarHBondContact O-N 3.18Å; K600-D602 IonicContact NZ-OD1 2.75Å; K600-D602 PolarHBondContact NZ-OD1 3.44Å; K600-D602 IonicContact NZ-OD2 3.55Å; K600-D602 PolarHBondContact NZ-OD2 2.91Å; K600-T638 WeakPolarHBondContact CA-O 3.41Å; K600-E639 HydrophobicContact CB-CB 4.04Å; K600-E639 HydrophobicContact CG-CB 4.28Å |
| 601 | W | 97 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -127.7 | -177.5 | 164.1 | 56.2 | 96.1 | 0 | 0 | 0 | 109.1 | V599 Y615 L617 Y633 A637 T638 A655 | V599-W601 HydrophobicContact CG2-CZ3 4.19Å; W601-Y615 AromaticContact CD1-CD1 3.83Å; W601-Y615 HydrophobicContact CZ2-CG 4.34Å; W601-Y615 AromaticContact NE1-CD1 3.23Å; W601-Y615 AromaticContact NE1-CD2 3.98Å; W601-Y615 AromaticContact NE1-CE1 3.92Å; W601-Y615 AromaticContact NE1-CG 3.29Å; W601-Y615 VanDerWaalsContact NE1-CG 3.29Å; W601-L617 HydrophobicContact CE3-CD1 4.17Å; W601-L617 HydrophobicContact CH2-CB 4.13Å; W601-L617 HydrophobicContact CZ3-CB 4.3Å; W601-L617 HydrophobicContact CZ3-CD1 3.92Å; W601-L617 HydrophobicContact CZ3-CD2 4.16Å; W601-L617 HydrophobicContact CZ3-CG 4.36Å; W601-Y633 AromaticContact CH2-CD1 3.92Å; W601-Y633 HydrophobicContact CH2-CD1 3.92Å; W601-Y633 HydrophobicContact CH2-CE1 4.42Å; W601-Y633 HydrophobicContact CZ2-CD1 4.09Å; W601-Y633 HydrophobicContact CZ2-CE1 4.31Å; W601-A637 VanDerWaalsContact CZ2-O 3.29Å; W601-A637 WeakPolarHBondContact CZ2-O 3.29Å; W601-T638 PolarHBondContact N-O 2.55Å; W601-T638 WeakPolarHBondContact O-CB 3.36Å; W601-A655 HydrophobicContact CB-CB 4.16Å; W601-A655 HydrophobicContact CD2-CB 4.02Å; W601-A655 HydrophobicContact CG-CB 3.82Å | ||
| 602 | D | 95.7 | Very high | 91.6 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | trans | -129 | 156.9 | 174.3 | -67.9 | -76.7 | 0 | 0 | 0 | 109.8 | T584 K600 | T584-D602 HydrophobicContact CG2-CB 3.9Å; T584-D602 PolarHBondContact N-O 3.41Å; T584-D602 WeakPolarHBondContact OG1-CB 3.17Å; T584-D602 PolarHBondContact OG1-N 3.39Å; K600-D602 IonicContact NZ-OD1 2.75Å; K600-D602 PolarHBondContact NZ-OD1 3.44Å; K600-D602 IonicContact NZ-OD2 3.55Å; K600-D602 PolarHBondContact NZ-OD2 2.91Å | ||
| 603 | P | 93.9 | Very high | 91.6 | Very high | 70 Ų | 70 | 52 Ų | 52 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | trans | -54.3 | 153.4 | 177 | -26.5 | 35.8 | 0 | 0 | 0 | 113.2 | Y615 T638 | P603-Y615 WeakPolarHBondContact CA-OH 3.47Å; P603-Y615 WeakPolarHBondContact CB-OH 3.38Å; P603-Y615 WeakPolarHBondContact CG-OH 3.1Å; P603-T638 HydrophobicContact CG-CG2 4.41Å | ||
| 604 | P | 94 | Very high | 91.8 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | trans | -64 | 141.8 | 175 | 31.1 | -38.1 | 0 | 0 | 0 | 110.9 | P580 G581 P582 D606 I612 | P580-P604 HydrophobicContact CB-CG 4.3Å; G581-P604 WeakPolarHBondContact O-CB 3.21Å; P582-P604 WeakPolarHBondContact O-CB 3.39Å; P604-D606 WeakPolarHBondContact CB-O 3.4Å; P604-D606 PolarHBondContact O-N 3.39Å; P604-I612 HydrophobicContact CG-CD1 3.89Å; P604-I612 HydrophobicContact CG-CG1 4.17Å | ||
| 605 | Q | 91.4 | Very high | 92.3 | Very high | 208 Ų | 208 | 51.6 Ų | 51.6 | 97% | 0.972 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -63.9 | -24.2 | 177.7 | -169.7 | 179.8 | 8.3 | 0 | 0 | 112.5 | ||
| 606 | D | 89.9 | Confident | 92.7 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 33% | 0.326 | 25% | 0.252 | S | S | . | . | trans | -121.5 | 122.4 | 170.7 | -173.1 | -3.9 | 0 | 0 | 0 | 110.1 | R548 G581 P604 G608 | R548-D606 IonicContact CZ-OD1 2.72Å; R548-D606 IonicContact CZ-OD2 2.64Å; R548-D606 VanDerWaalsContact CZ-OD2 3.25Å; R548-D606 IonicContact NH1-OD1 2.71Å; R548-D606 PolarHBondContact NH1-OD1 2.9Å; R548-D606 IonicContact NH1-OD2 3.22Å; R548-D606 PolarHBondContact NH1-OD2 2.8Å; R548-D606 IonicContact NH2-OD1 2.87Å; R548-D606 PolarHBondContact NH2-OD1 3.03Å; R548-D606 IonicContact NH2-OD2 2.67Å; R548-D606 PolarHBondContact NH2-OD2 3.45Å; G581-D606 PolarHBondContact N-O 3.48Å; P604-D606 WeakPolarHBondContact CB-O 3.4Å; P604-D606 PolarHBondContact O-N 3.39Å; D606-G608 PolarHBondContact OD1-N 2.73Å | ||
| 607 | N | 88.3 | Confident | 92.9 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 37% | 0.369 | 25% | 0.25 | S | C | . | . | trans | -94.6 | 7.1 | 179.3 | 71.8 | -0.9 | 0 | 0 | 0 | 113.9 | G609 S610 I612 | N607-G609 PolarHBondContact O-N 2.75Å; N607-G609 WeakPolarHBondContact OD1-CA 3.38Å; N607-G609 PolarHBondContact OD1-N 2.76Å; N607-S610 VanDerWaalsContact CB-O 3.22Å; N607-S610 WeakPolarHBondContact CB-O 3.34Å; N607-S610 PolarHBondContact ND2-O 3.21Å; N607-S610 VanDerWaalsContact ND2-O 3.16Å; N607-S610 PolarHBondContact O-N 2.85Å; N607-S610 VanDerWaalsContact O-O 3.06Å; N607-S610 PolarHBondContact O-OG 3.14Å; N607-I612 HydrophobicContact CB-CD1 4.08Å | ||
| 608 | G | 85.8 | Confident | 92.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R548 D578 D606 | R548-G608 WeakPolarHBondContact CD-O 3.48Å; D578-G608 PolarHBondContact N-O 2.92Å; D606-G608 PolarHBondContact OD1-N 2.73Å |
| 609 | G | 84.1 | Confident | 92.8 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 23.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S549 N607 | S549-G609 WeakPolarHBondContact CB-O 3.29Å; S549-G609 PolarHBondContact OG-O 2.88Å; N607-G609 PolarHBondContact O-N 2.75Å; N607-G609 WeakPolarHBondContact OD1-CA 3.38Å; N607-G609 PolarHBondContact OD1-N 2.76Å |
| 610 | S | 87.9 | Confident | 92.6 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -145.4 | 156.9 | 178.7 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | N607 S659 T660 | N607-S610 VanDerWaalsContact CB-O 3.22Å; N607-S610 WeakPolarHBondContact CB-O 3.34Å; N607-S610 PolarHBondContact ND2-O 3.21Å; N607-S610 VanDerWaalsContact ND2-O 3.16Å; N607-S610 PolarHBondContact O-N 2.85Å; N607-S610 VanDerWaalsContact O-O 3.06Å; N607-S610 PolarHBondContact O-OG 3.14Å; S610-S659 WeakPolarHBondContact OG-CB 3.19Å; S610-S659 PolarHBondContact OG-OG 3.45Å; S610-T660 VanDerWaalsContact CB-OG1 3.31Å; S610-T660 WeakPolarHBondContact CB-OG1 3.29Å |
| 611 | E | 90.2 | Very high | 92.1 | Very high | 147 Ų | 147 | 49.9 Ų | 49.9 | 69% | 0.687 | 26% | 0.259 | S | S | * | . | trans | -69.6 | 151.2 | 175 | 65.7 | -174 | 174.8 | 0 | 0 | 112.5 | L613 S659 | E611-L613 HydrophobicContact CG-CD2 4.31Å; E611-L613 PolarHBondContact O-N 3.32Å; E611-S659 WeakPolarHBondContact O-CB 3.46Å | ||
| 612 | I | 93.4 | Very high | 90.7 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 21% | 0.205 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 115.1 | 176.1 | -54.1 | -55.4 | 0 | 0 | 0 | 108.6 | P580 P604 N607 Y615 C657 | P580-I612 HydrophobicContact CB-CD1 3.59Å; P580-I612 HydrophobicContact CG-CD1 3.96Å; P604-I612 HydrophobicContact CG-CD1 3.89Å; P604-I612 HydrophobicContact CG-CG1 4.17Å; N607-I612 HydrophobicContact CB-CD1 4.08Å; I612-Y615 HydrophobicContact CG2-CE1 4.05Å; I612-Y615 HydrophobicContact CG2-CE2 4.07Å; I612-C657 HydrophobicContact CG2-CB 3.77Å |
| 613 | L | 92.6 | Very high | 89.1 | Confident | 90 Ų | 90 | 53.4 Ų | 53.4 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -40.5 | -177 | -59.5 | 173.2 | 0 | 0 | 0 | 111.8 | E611 I658 T660 | E611-L613 HydrophobicContact CG-CD2 4.31Å; E611-L613 PolarHBondContact O-N 3.32Å; L613-I658 PolarHBondContact N-O 2.79Å; L613-T660 HydrophobicContact CD1-CG2 4.11Å |
| 614 | K | 94.3 | Very high | 87.3 | Confident | 74 Ų | 74 | 52.3 Ų | 52.3 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 159.5 | 172 | 65.8 | 174.8 | -174.2 | 172.4 | 0 | 113.2 | L616 S634 C657 I658 | K614-L616 HydrophobicContact CD-CD2 4.47Å; K614-S634 PolarHBondContact NZ-OG 3.43Å; K614-C657 CarbonylContact O-C 3.5Å; K614-C657 WeakPolarHBondContact O-CA 3.39Å; K614-I658 HydrophobicContact CD-CD1 4.49Å; K614-I658 HydrophobicContact CG-CB 4.41Å; K614-I658 HydrophobicContact CG-CD1 4.14Å; K614-I658 HydrophobicContact CG-CG1 4.47Å; K614-I658 PolarHBondContact N-O 2.92Å; K614-I658 PolarHBondContact O-N 2.96Å |
| 615 | Y | 96.8 | Very high | 85.4 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 152.3 | 164.8 | -60.4 | -82.9 | 0 | 0 | 0 | 110.6 | P583 W601 P603 I612 S634 G635 A637 T638 C656 C657 | P583-Y615 HydrophobicContact CB-CE1 4.49Å; P583-Y615 HydrophobicContact CG-CD1 4.02Å; P583-Y615 HydrophobicContact CG-CE1 4.15Å; W601-Y615 AromaticContact CD1-CD1 3.83Å; W601-Y615 HydrophobicContact CZ2-CG 4.34Å; W601-Y615 AromaticContact NE1-CD1 3.23Å; W601-Y615 AromaticContact NE1-CD2 3.98Å; W601-Y615 AromaticContact NE1-CE1 3.92Å; W601-Y615 AromaticContact NE1-CG 3.29Å; W601-Y615 VanDerWaalsContact NE1-CG 3.29Å; P603-Y615 WeakPolarHBondContact CA-OH 3.47Å; P603-Y615 WeakPolarHBondContact CB-OH 3.38Å; P603-Y615 WeakPolarHBondContact CG-OH 3.1Å; I612-Y615 HydrophobicContact CG2-CE1 4.05Å; I612-Y615 HydrophobicContact CG2-CE2 4.07Å; Y615-S634 WeakPolarHBondContact O-CA 3.25Å; Y615-G635 PolarHBondContact N-O 3.39Å; Y615-G635 PolarHBondContact O-N 3.05Å; Y615-G635 VanDerWaalsContact O-N 3.08Å; Y615-A637 WeakPolarHBondContact CD2-O 3.39Å; Y615-T638 HydrophobicContact CD2-CG2 4.11Å; Y615-T638 HydrophobicContact CE2-CG2 3.64Å; Y615-C656 CarbonylContact C-O 3.59Å; Y615-C656 WeakPolarHBondContact CA-O 3.41Å; Y615-C657 HydrophobicContact CD1-CB 3.62Å; Y615-C657 HydrophobicContact CE1-CB 3.8Å; Y615-C657 HydrophobicContact CG-CB 4.46Å |
| 616 | L | 96.5 | Very high | 83.7 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.7 | 164.5 | -58.9 | 179.7 | 0 | 0 | 0 | 107.4 | K614 V631 Y633 A655 C656 I658 | K614-L616 HydrophobicContact CD-CD2 4.47Å; L616-V631 HydrophobicContact CD2-CG1 4.18Å; L616-Y633 CarbonylContact C-O 3.59Å; L616-Y633 WeakPolarHBondContact CA-O 3.3Å; L616-A655 CarbonylContact O-C 3.5Å; L616-A655 WeakPolarHBondContact O-CA 3.44Å; L616-C656 HydrophobicContact CB-CB 4.37Å; L616-C656 PolarHBondContact N-O 2.76Å; L616-C656 PolarHBondContact O-N 3.16Å; L616-I658 HydrophobicContact CD1-CD1 4.23Å; L616-I658 HydrophobicContact CG-CD1 4.41Å |
| 617 | L | 96.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120.5 | 163.2 | -174.8 | 71.4 | 0 | 0 | 0 | 107.4 | P586 V599 W601 V631 A632 Y633 Y640 L653 | P586-L617 HydrophobicContact CG-CD1 4.21Å; V599-L617 HydrophobicContact CG2-CD1 4.25Å; V599-L617 HydrophobicContact CG2-CD2 3.59Å; W601-L617 HydrophobicContact CE3-CD1 4.17Å; W601-L617 HydrophobicContact CH2-CB 4.13Å; W601-L617 HydrophobicContact CZ3-CB 4.3Å; W601-L617 HydrophobicContact CZ3-CD1 3.92Å; W601-L617 HydrophobicContact CZ3-CD2 4.16Å; W601-L617 HydrophobicContact CZ3-CG 4.36Å; L617-V631 CarbonylContact O-C 3.5Å; L617-A632 HydrophobicContact CD2-CB 4.31Å; L617-A632 PolarHBondContact O-N 2.97Å; L617-Y633 PolarHBondContact N-O 3.14Å; L617-Y633 PolarHBondContact O-N 3.45Å; L617-Y640 HydrophobicContact CD2-CD1 3.84Å; L617-Y640 HydrophobicContact CD2-CG 4.45Å; L617-L653 HydrophobicContact CD1-CB 4.37Å; L617-L653 HydrophobicContact CD1-CD2 4.37Å; L617-L653 HydrophobicContact CD2-CD2 3.98Å; L617-L653 HydrophobicContact CG-CD2 4.3Å |
| 618 | E | 94.4 | Very high | 82.1 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 137.1 | 174.6 | -68.7 | 178.8 | 178.2 | 0 | 0 | 110 | W629 E630 V631 L653 R654 | E618-W629 HydrophobicContact CB-CB 4.32Å; E618-W629 HydrophobicContact CB-CE3 3.92Å; E618-E630 CarbonylContact C-O 3.54Å; E618-E630 VanDerWaalsContact CA-O 3.24Å; E618-E630 WeakPolarHBondContact CA-O 3.44Å; E618-V631 HydrophobicContact CG-CG2 4.31Å; E618-L653 CarbonylContact O-C 3.55Å; E618-L653 VanDerWaalsContact O-CA 3.26Å; E618-L653 WeakPolarHBondContact O-CA 3.27Å; E618-R654 HydrophobicContact CB-CG 3.96Å; E618-R654 PolarHBondContact N-O 2.99Å; E618-R654 PolarHBondContact O-N 2.88Å; E618-R654 IonicContact OE2-CZ 2.7Å; E618-R654 IonicContact OE2-NE 3.17Å; E618-R654 PolarHBondContact OE2-NE 2.87Å; E618-R654 IonicContact OE2-NH2 3.76Å; E618-R654 PolarHBondContact OE2-NH2 2.93Å |
| 619 | I | 94 | Very high | 82.3 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 149.5 | 178.3 | -167.2 | 164 | 0 | 0 | 0 | 110.1 | W629 E630 A632 L645 Y651 K652 L653 | I619-W629 WeakPolarHBondContact O-CA 3.45Å; I619-E630 HydrophobicContact CG2-CB 4.27Å; I619-E630 PolarHBondContact N-O 3.5Å; I619-E630 PolarHBondContact O-N 3.48Å; I619-A632 HydrophobicContact CB-CB 4.16Å; I619-A632 HydrophobicContact CG2-CB 3.83Å; I619-L645 HydrophobicContact CD1-CD1 4.5Å; I619-L645 HydrophobicContact CD1-CD2 3.95Å; I619-Y651 HydrophobicContact CD1-CD1 3.65Å; I619-Y651 HydrophobicContact CD1-CE1 4.24Å; I619-Y651 HydrophobicContact CD1-CG 4.1Å; I619-Y651 HydrophobicContact CG1-CD1 3.75Å; I619-Y651 HydrophobicContact CG1-CG 4.38Å; I619-K652 CarbonylContact C-O 3.36Å; I619-K652 WeakPolarHBondContact CA-O 3.38Å; I619-L653 HydrophobicContact CB-CD2 4.41Å; I619-L653 HydrophobicContact CB-CG 4.5Å; I619-L653 HydrophobicContact CD1-CD2 4.03Å; I619-L653 HydrophobicContact CD1-CG 4.34Å; I619-L653 HydrophobicContact CG1-CD2 4.2Å; I619-L653 HydrophobicContact CG1-CG 4.09Å |
| 620 | S | 91.1 | Very high | 82.6 | Confident | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 141.2 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | G622 Q628 Y651 K652 | S620-G622 PolarHBondContact O-N 2.61Å; S620-Q628 WeakPolarHBondContact CB-O 3.36Å; S620-Q628 PolarHBondContact OG-O 2.81Å; S620-Y651 CarbonylContact O-C 3.53Å; S620-Y651 VanDerWaalsContact O-CA 3.31Å; S620-Y651 WeakPolarHBondContact O-CA 3.25Å; S620-K652 PolarHBondContact N-O 2.77Å; S620-K652 PolarHBondContact O-N 2.71Å |
| 621 | Q | 86.7 | Confident | 82.9 | Confident | 85 Ų | 85 | 70.3 Ų | 70.3 | 40% | 0.397 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 113.6 | 169.5 | -77.6 | 169.2 | 80.5 | 0 | 0 | 107.9 | N623 S624 Y651 | Q621-N623 PolarHBondContact O-N 2.86Å; Q621-S624 PolarHBondContact O-N 3.33Å; Q621-S624 VanDerWaalsContact O-N 3.08Å; Q621-S624 PolarHBondContact O-OG 2.88Å; Q621-Y651 HydrophobicContact CG-CD1 4.04Å; Q621-Y651 HydrophobicContact CG-CE1 3.53Å |
| 622 | G | 67.6 | Low | 83 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.4 | -158.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | S620 L650 K652 | S620-G622 PolarHBondContact O-N 2.61Å; G622-L650 PolarHBondContact N-O 2.66Å; G622-K652 WeakPolarHBondContact O-CE 3.37Å; G622-K652 PolarHBondContact O-NZ 2.98Å |
| 623 | N | 62.1 | Low | 83.1 | Confident | 135 Ų | 135 | 64.9 Ų | 64.9 | 72% | 0.722 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -5.3 | -177.6 | -60.1 | 8.9 | 0 | 0 | 0 | 113.3 | Q621 E625 | Q621-N623 PolarHBondContact O-N 2.86Å; N623-E625 PolarHBondContact O-N 2.82Å |
| 624 | S | 56.7 | Low | 83.2 | Confident | 47 Ų | 47 | 63.5 Ų | 63.5 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | trans | -75 | 115.7 | -179.4 | 69.9 | 0 | 0 | 0 | 0 | 112 | Q621 A626 N627 | Q621-S624 PolarHBondContact O-N 3.33Å; Q621-S624 VanDerWaalsContact O-N 3.08Å; Q621-S624 PolarHBondContact O-OG 2.88Å; S624-A626 PolarHBondContact O-N 2.83Å; S624-N627 PolarHBondContact O-N 3.3Å; S624-N627 VanDerWaalsContact O-N 3.07Å | ||
| 625 | E | 53 | Low | 83.2 | Confident | 199 Ų | 199 | 60.7 Ų | 60.7 | 93% | 0.93 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -34.2 | 171.7 | -60.9 | -170.5 | 144.5 | 0 | 0 | 112.1 | N623 N627 | N623-E625 PolarHBondContact O-N 2.82Å; E625-N627 PolarHBondContact O-N 3.39Å |
| 626 | A | 56.1 | Low | 83 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S624 Q628 | S624-A626 PolarHBondContact O-N 2.83Å; A626-Q628 HydrophobicContact CB-CG 3.99Å; A626-Q628 PolarHBondContact O-N 2.84Å; A626-Q628 VanDerWaalsContact O-N 3.11Å |
| 627 | N | 63.2 | Low | 82.8 | Confident | 96 Ų | 96 | 66 Ų | 66 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | trans | 49.8 | 41.9 | 172.9 | -162.3 | 10.4 | 0 | 0 | 0 | 112.8 | S624 E625 W629 | S624-N627 PolarHBondContact O-N 3.3Å; S624-N627 VanDerWaalsContact O-N 3.07Å; E625-N627 PolarHBondContact O-N 3.39Å; N627-W629 PolarHBondContact O-NE1 3.48Å; N627-W629 PolarHBondContact OD1-NE1 3.43Å | ||
| 628 | Q | 80.8 | Confident | 82.7 | Confident | 140 Ų | 140 | 67.7 Ų | 67.7 | 65% | 0.654 | 38% | 0.381 | S | S | * | . | trans | -80.1 | 137.5 | -177.1 | -67.5 | 179.9 | -3.6 | 0 | 0 | 110.4 | S620 A626 | S620-Q628 WeakPolarHBondContact CB-O 3.36Å; S620-Q628 PolarHBondContact OG-O 2.81Å; A626-Q628 HydrophobicContact CB-CG 3.99Å; A626-Q628 PolarHBondContact O-N 2.84Å; A626-Q628 VanDerWaalsContact O-N 3.11Å | ||
| 629 | W | 89.6 | Confident | 82.8 | Confident | 53 Ų | 53 | 70.2 Ų | 70.2 | 20% | 0.201 | 39% | 0.393 | C | S | . | . | trans | -123.4 | 128.7 | -177.2 | -66.9 | 82.8 | 0 | 0 | 0 | 110.1 | E618 I619 N627 K652 R654 | E618-W629 HydrophobicContact CB-CB 4.32Å; E618-W629 HydrophobicContact CB-CE3 3.92Å; I619-W629 WeakPolarHBondContact O-CA 3.45Å; N627-W629 PolarHBondContact O-NE1 3.48Å; N627-W629 PolarHBondContact OD1-NE1 3.43Å; W629-K652 HydrophobicContact CH2-CB 3.76Å; W629-K652 HydrophobicContact CZ3-CB 4.26Å; W629-K652 WeakPolarHBondContact CZ3-O 3.09Å; W629-R654 VanDerWaalsContact CE2-NH1 3.33Å; W629-R654 HydrophobicContact CE3-CG 3.85Å; W629-R654 HydrophobicContact CH2-CB 4.46Å; W629-R654 HydrophobicContact CH2-CG 4.15Å; W629-R654 HydrophobicContact CZ3-CB 4.18Å; W629-R654 HydrophobicContact CZ3-CG 3.63Å | ||
| 630 | E | 91.3 | Very high | 82.8 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 144.5 | 178.9 | -64.2 | 177.5 | 164.5 | 0 | 0 | 109.8 | E618 I619 A632 | E618-E630 CarbonylContact C-O 3.54Å; E618-E630 VanDerWaalsContact CA-O 3.24Å; E618-E630 WeakPolarHBondContact CA-O 3.44Å; I619-E630 HydrophobicContact CG2-CB 4.27Å; I619-E630 PolarHBondContact N-O 3.5Å; I619-E630 PolarHBondContact O-N 3.48Å; E630-A632 PolarHBondContact O-N 3.31Å |
| 631 | V | 93.4 | Very high | 83.1 | Confident | 83 Ų | 83 | 76.4 Ų | 76.4 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 99.1 | -179.8 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | L616 L617 E618 Y633 | L616-V631 HydrophobicContact CD2-CG1 4.18Å; L617-V631 CarbonylContact O-C 3.5Å; E618-V631 HydrophobicContact CG-CG2 4.31Å; V631-Y633 VanDerWaalsContact CG1-O 3.25Å; V631-Y633 WeakPolarHBondContact CG1-O 3.19Å |
| 632 | A | 92.3 | Very high | 83.4 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -30.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L617 I619 E630 Y640 | L617-A632 HydrophobicContact CD2-CB 4.31Å; L617-A632 PolarHBondContact O-N 2.97Å; I619-A632 HydrophobicContact CB-CB 4.16Å; I619-A632 HydrophobicContact CG2-CB 3.83Å; E630-A632 PolarHBondContact O-N 3.31Å; A632-Y640 HydrophobicContact CB-CE1 4.25Å; A632-Y640 VanDerWaalsContact O-CE1 3.27Å; A632-Y640 WeakPolarHBondContact O-CE1 3.37Å; A632-Y640 VanDerWaalsContact O-CZ 3.26Å; A632-Y640 PolarHBondContact O-OH 2.92Å |
| 633 | Y | 95.6 | Very high | 84.5 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 145.5 | 177.9 | 177.3 | -104.5 | 0 | 0 | 0 | 111.8 | W601 L616 L617 V631 G635 S636 A637 Y640 | W601-Y633 AromaticContact CH2-CD1 3.92Å; W601-Y633 HydrophobicContact CH2-CD1 3.92Å; W601-Y633 HydrophobicContact CH2-CE1 4.42Å; W601-Y633 HydrophobicContact CZ2-CD1 4.09Å; W601-Y633 HydrophobicContact CZ2-CE1 4.31Å; L616-Y633 CarbonylContact C-O 3.59Å; L616-Y633 WeakPolarHBondContact CA-O 3.3Å; L617-Y633 PolarHBondContact N-O 3.14Å; L617-Y633 PolarHBondContact O-N 3.45Å; V631-Y633 VanDerWaalsContact CG1-O 3.25Å; V631-Y633 WeakPolarHBondContact CG1-O 3.19Å; Y633-G635 VanDerWaalsContact OH-C 3.3Å; Y633-G635 WeakPolarHBondContact OH-CA 3.28Å; Y633-S636 PolarHBondContact OH-N 3.41Å; Y633-A637 HydrophobicContact CE1-CB 4.39Å; Y633-A637 VanDerWaalsContact OH-CB 3.29Å; Y633-A637 WeakPolarHBondContact OH-CB 3.47Å; Y633-A637 PolarHBondContact OH-N 2.95Å; Y633-A637 VanDerWaalsContact OH-N 3.09Å; Y633-Y640 AromaticContact CD2-CD2 3.38Å; Y633-Y640 HydrophobicContact CD2-CD2 3.38Å; Y633-Y640 AromaticContact CD2-CE2 3.67Å; Y633-Y640 HydrophobicContact CD2-CE2 3.67Å; Y633-Y640 HydrophobicContact CD2-CG 4.06Å; Y633-Y640 HydrophobicContact CE2-CD2 4.13Å; Y633-Y640 AromaticContact CG-CD2 3.81Å; Y633-Y640 HydrophobicContact CG-CD2 3.81Å; Y633-Y640 HydrophobicContact CG-CE2 4.3Å; Y633-Y640 HydrophobicContact CG-CG 4Å |
| 634 | S | 95.1 | Very high | 85.7 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 42% | 0.42 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 100.2 | 174.2 | 155.5 | 0 | 0 | 0 | 0 | 110.1 | K614 Y615 | K614-S634 PolarHBondContact NZ-OG 3.43Å; Y615-S634 WeakPolarHBondContact O-CA 3.25Å |
| 635 | G | 93.8 | Very high | 87.3 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 17% | 0.165 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.9 | -172.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y615 Y633 | Y615-G635 PolarHBondContact N-O 3.39Å; Y615-G635 PolarHBondContact O-N 3.05Å; Y615-G635 VanDerWaalsContact O-N 3.08Å; Y633-G635 VanDerWaalsContact OH-C 3.3Å; Y633-G635 WeakPolarHBondContact OH-CA 3.28Å |
| 636 | S | 92.8 | Very high | 88.9 | Confident | 101 Ų | 101 | 72.4 Ų | 72.4 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -85.5 | -11 | -172.9 | 51.8 | 0 | 0 | 0 | 0 | 115.3 | Y633 | Y633-S636 PolarHBondContact OH-N 3.41Š|
| 637 | A | 93.2 | Very high | 90.3 | Very high | 40 Ų | 40 | 69.3 Ų | 69.3 | 33% | 0.331 | 37% | 0.371 | S | S | . | . | trans | -72.8 | 153.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W601 Y615 Y633 | W601-A637 VanDerWaalsContact CZ2-O 3.29Å; W601-A637 WeakPolarHBondContact CZ2-O 3.29Å; Y615-A637 WeakPolarHBondContact CD2-O 3.39Å; Y633-A637 HydrophobicContact CE1-CB 4.39Å; Y633-A637 VanDerWaalsContact OH-CB 3.29Å; Y633-A637 WeakPolarHBondContact OH-CB 3.47Å; Y633-A637 PolarHBondContact OH-N 2.95Å; Y633-A637 VanDerWaalsContact OH-N 3.09Å | ||
| 638 | T | 94.6 | Very high | 91.1 | Very high | 36 Ų | 36 | 65.1 Ų | 65.1 | 22% | 0.221 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -105.1 | 16.8 | 175.5 | 68.1 | 0 | 0 | 0 | 0 | 113 | K600 W601 P603 Y615 | K600-T638 WeakPolarHBondContact CA-O 3.41Å; W601-T638 PolarHBondContact N-O 2.55Å; W601-T638 WeakPolarHBondContact O-CB 3.36Å; P603-T638 HydrophobicContact CG-CG2 4.41Å; Y615-T638 HydrophobicContact CD2-CG2 4.11Å; Y615-T638 HydrophobicContact CE2-CG2 3.64Å |
| 639 | E | 95.1 | Very high | 91.4 | Very high | 84 Ų | 84 | 59.7 Ų | 59.7 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 151.7 | 173.1 | 57.9 | 174.6 | -118.3 | 0 | 0 | 110.8 | K589 V599 K600 | K589-E639 IonicContact NZ-OE1 3.81Å; K589-E639 PolarHBondContact NZ-OE1 3.26Å; K589-E639 IonicContact NZ-OE2 2.7Å; K589-E639 PolarHBondContact NZ-OE2 3.43Å; V599-E639 CarbonylContact O-C 3.53Å; V599-E639 VanDerWaalsContact O-CA 3.24Å; V599-E639 WeakPolarHBondContact O-CA 3.16Å; V599-E639 WeakPolarHBondContact O-CB 3.44Å; K600-E639 HydrophobicContact CB-CB 4.04Å; K600-E639 HydrophobicContact CG-CB 4.28Å |
| 640 | Y | 96.1 | Very high | 91.3 | Very high | 77 Ų | 77 | 60 Ų | 60 | 30% | 0.302 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 147.8 | -177.9 | -174.8 | -112.7 | 0 | 0 | 0 | 111.3 | S598 V599 L617 A632 Y633 | S598-Y640 WeakPolarHBondContact CA-O 3.29Å; V599-Y640 PolarHBondContact N-O 2.99Å; V599-Y640 PolarHBondContact O-N 2.79Å; L617-Y640 HydrophobicContact CD2-CD1 3.84Å; L617-Y640 HydrophobicContact CD2-CG 4.45Å; A632-Y640 HydrophobicContact CB-CE1 4.25Å; A632-Y640 VanDerWaalsContact O-CE1 3.27Å; A632-Y640 WeakPolarHBondContact O-CE1 3.37Å; A632-Y640 VanDerWaalsContact O-CZ 3.26Å; A632-Y640 PolarHBondContact O-OH 2.92Å; Y633-Y640 AromaticContact CD2-CD2 3.38Å; Y633-Y640 HydrophobicContact CD2-CD2 3.38Å; Y633-Y640 AromaticContact CD2-CE2 3.67Å; Y633-Y640 HydrophobicContact CD2-CE2 3.67Å; Y633-Y640 HydrophobicContact CD2-CG 4.06Å; Y633-Y640 HydrophobicContact CE2-CD2 4.13Å; Y633-Y640 AromaticContact CG-CD2 3.81Å; Y633-Y640 HydrophobicContact CG-CD2 3.81Å; Y633-Y640 HydrophobicContact CG-CE2 4.3Å; Y633-Y640 HydrophobicContact CG-CG 4Å |
| 641 | T | 95.4 | Very high | 91.3 | Very high | 73 Ų | 73 | 54.5 Ų | 54.5 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 110.9 | 171.8 | -52.6 | 0 | 0 | 0 | 0 | 109 | S598 T643 | S598-T641 PolarHBondContact OG-OG1 2.91Å; S598-T641 VanDerWaalsContact OG-OG1 3.05Å; T641-T643 HydrophobicContact CG2-CG2 3.96Å; T641-T643 PolarHBondContact O-N 3.28Å |
| 642 | C | 93.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.027 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 125 | 169.8 | -62.4 | 0 | 0 | 0 | 0 | 108.4 | G596 F597 L645 | G596-C642 CarbonylContact C-O 3.59Å; G596-C642 WeakPolarHBondContact CA-O 3.32Å; F597-C642 HydrophobicContact CD2-CB 4.4Å; F597-C642 HydrophobicContact CE2-CB 4.09Å; F597-C642 HydrophobicContact CZ-CB 4.45Å; F597-C642 PolarHBondContact N-O 2.84Å; F597-C642 PolarHBondContact O-N 2.86Å; C642-L645 HydrophobicContact CB-CD1 3.94Å; C642-L645 HydrophobicContact CB-CD2 4.42Å; C642-L645 HydrophobicContact CB-CG 4.35Å |
| 643 | T | 91.4 | Very high | 91.4 | Very high | 74 Ų | 74 | 52.6 Ų | 52.6 | 45% | 0.454 | 29% | 0.286 | S | S | . | . | trans | -123.9 | 173.9 | 177.5 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | H595 T641 L645 | H595-T643 CarbonylContact O-C 3.55Å; H595-T643 VanDerWaalsContact O-C 3.28Å; H595-T643 WeakPolarHBondContact O-CA 3.47Å; T641-T643 HydrophobicContact CG2-CG2 3.96Å; T641-T643 PolarHBondContact O-N 3.28Å; T643-L645 PolarHBondContact O-N 2.98Å; T643-L645 VanDerWaalsContact O-N 3.14Å | ||
| 644 | H | 88.1 | Confident | 91.4 | Very high | 176 Ų | 176 | 53.4 Ų | 53.4 | 82% | 0.815 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 56 | 26.2 | -178.4 | -48.3 | -74.3 | 0 | 0 | 0 | 114.2 | H595 | H595-H644 PolarHBondContact O-N 3Š|
| 645 | L | 89.6 | Confident | 91.5 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 155.8 | 173.1 | -56.1 | -172.4 | 0 | 0 | 0 | 110.6 | H595 F597 I619 C642 T643 Y651 T674 | H595-L645 WeakPolarHBondContact CA-O 3.13Å; H595-L645 PolarHBondContact ND1-O 3.11Å; H595-L645 PolarHBondContact O-N 2.91Å; F597-L645 HydrophobicContact CD1-CD1 3.84Å; F597-L645 HydrophobicContact CE1-CD1 3.22Å; F597-L645 HydrophobicContact CE2-CD1 4.43Å; F597-L645 HydrophobicContact CZ-CD1 3.55Å; I619-L645 HydrophobicContact CD1-CD1 4.5Å; I619-L645 HydrophobicContact CD1-CD2 3.95Å; C642-L645 HydrophobicContact CB-CD1 3.94Å; C642-L645 HydrophobicContact CB-CD2 4.42Å; C642-L645 HydrophobicContact CB-CG 4.35Å; T643-L645 PolarHBondContact O-N 2.98Å; T643-L645 VanDerWaalsContact O-N 3.14Å; L645-Y651 HydrophobicContact CB-CE2 3.79Å; L645-Y651 HydrophobicContact CD1-CD2 4.13Å; L645-Y651 HydrophobicContact CD1-CE2 4.09Å; L645-Y651 HydrophobicContact CD2-CE1 4.05Å; L645-Y651 HydrophobicContact CD2-CE2 4.32Å; L645-Y651 HydrophobicContact CG-CE2 4.29Å; L645-T674 HydrophobicContact CB-CG2 3.93Å; L645-T674 HydrophobicContact CD1-CG2 3.96Å |
| 646 | K | 85.7 | Confident | 91.5 | Very high | 117 Ų | 117 | 50 Ų | 50 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 138.5 | 171.9 | -67 | -179.5 | 178.3 | 176.6 | 0 | 109.5 | S594 T649 Y651 T674 | S594-K646 CarbonylContact O-C 3.51Å; K646-T649 HydrophobicContact CB-CG2 4.43Å; K646-T649 VanDerWaalsContact CB-OG1 3.32Å; K646-T649 WeakPolarHBondContact CB-OG1 3.45Å; K646-T649 WeakPolarHBondContact O-CB 3.48Å; K646-Y651 PolarHBondContact N-OH 2.62Å; K646-T674 PolarHBondContact O-OG1 2.87Å |
| 647 | P | 85.7 | Confident | 91.6 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.032 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 158.8 | 171.1 | -23.2 | 34.5 | 0 | 0 | 0 | 113.1 | S594 H595 T649 L675 V677 S707 | S594-P647 VanDerWaalsContact O-CA 3.28Å; S594-P647 WeakPolarHBondContact O-CA 3.47Å; H595-P647 WeakPolarHBondContact CE1-CG 3.25Å; P647-T649 PolarHBondContact O-N 3.16Å; P647-T649 PolarHBondContact O-OG1 3.12Å; P647-L675 WeakPolarHBondContact CA-O 3.39Å; P647-L675 WeakPolarHBondContact CB-O 3.28Å; P647-V677 HydrophobicContact CB-CB 4.23Å; P647-V677 HydrophobicContact CB-CG2 3.81Å; P647-V677 HydrophobicContact CG-CB 4.32Å; P647-V677 HydrophobicContact CG-CG2 3.81Å; P647-S707 WeakPolarHBondContact CB-O 3.36Å |
| 648 | G | 80.7 | Confident | 91.6 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 7.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.9 | R673 T674 L675 | G648-R673 PolarHBondContact O-NE 3.39Å; G648-R673 PolarHBondContact O-NH2 3.44Å; G648-R673 VanDerWaalsContact O-NH2 3.14Å; G648-T674 WeakPolarHBondContact CA-O 3.41Å; G648-T674 PolarHBondContact N-OG1 2.85Å; G648-L675 PolarHBondContact N-O 3.36Å |
| 649 | T | 86.1 | Confident | 91.5 | Very high | 27 Ų | 27 | 43 Ų | 43 | 17% | 0.166 | 21% | 0.21 | C | C | . | . | trans | -100.1 | 134 | -164.3 | -65.5 | 0 | 0 | 0 | 0 | 110.3 | K646 P647 Y651 R673 T674 | K646-T649 HydrophobicContact CB-CG2 4.43Å; K646-T649 VanDerWaalsContact CB-OG1 3.32Å; K646-T649 WeakPolarHBondContact CB-OG1 3.45Å; K646-T649 WeakPolarHBondContact O-CB 3.48Å; P647-T649 PolarHBondContact O-N 3.16Å; P647-T649 PolarHBondContact O-OG1 3.12Å; T649-Y651 HydrophobicContact CG2-CD2 4.11Å; T649-Y651 HydrophobicContact CG2-CE2 3.58Å; T649-Y651 WeakPolarHBondContact O-CD2 3.23Å; T649-R673 WeakPolarHBondContact O-CA 3.42Å; T649-T674 PolarHBondContact N-OG1 2.84Å; T649-T674 PolarHBondContact O-N 3.4Å; T649-T674 VanDerWaalsContact O-N 3.1Å; T649-T674 PolarHBondContact O-OG1 3.08Å | ||
| 650 | L | 89.3 | Confident | 91.2 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.6 | 173.8 | -179 | 63.5 | 0 | 0 | 0 | 109.9 | G622 P671 R673 | G622-L650 PolarHBondContact N-O 2.66Å; L650-P671 HydrophobicContact CD1-CB 4.14Å; L650-R673 HydrophobicContact CD1-CB 4.48Å |
| 651 | Y | 91.3 | Very high | 90.7 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 152.1 | 170 | -69.8 | -85.3 | 0 | 0 | 0 | 110.6 | F597 I619 S620 Q621 L645 K646 T649 P671 V672 T674 | F597-Y651 HydrophobicContact CE1-CD2 4.48Å; I619-Y651 HydrophobicContact CD1-CD1 3.65Å; I619-Y651 HydrophobicContact CD1-CE1 4.24Å; I619-Y651 HydrophobicContact CD1-CG 4.1Å; I619-Y651 HydrophobicContact CG1-CD1 3.75Å; I619-Y651 HydrophobicContact CG1-CG 4.38Å; S620-Y651 CarbonylContact O-C 3.53Å; S620-Y651 VanDerWaalsContact O-CA 3.31Å; S620-Y651 WeakPolarHBondContact O-CA 3.25Å; Q621-Y651 HydrophobicContact CG-CD1 4.04Å; Q621-Y651 HydrophobicContact CG-CE1 3.53Å; L645-Y651 HydrophobicContact CB-CE2 3.79Å; L645-Y651 HydrophobicContact CD1-CD2 4.13Å; L645-Y651 HydrophobicContact CD1-CE2 4.09Å; L645-Y651 HydrophobicContact CD2-CE1 4.05Å; L645-Y651 HydrophobicContact CD2-CE2 4.32Å; L645-Y651 HydrophobicContact CG-CE2 4.29Å; K646-Y651 PolarHBondContact N-OH 2.62Å; T649-Y651 HydrophobicContact CG2-CD2 4.11Å; T649-Y651 HydrophobicContact CG2-CE2 3.58Å; T649-Y651 WeakPolarHBondContact O-CD2 3.23Å; Y651-P671 CarbonylContact O-C 3.55Å; Y651-P671 WeakPolarHBondContact O-CA 3.5Å; Y651-V672 PolarHBondContact N-O 3.17Å; Y651-V672 PolarHBondContact O-N 3.38Å; Y651-T674 HydrophobicContact CD2-CG2 4.32Å; Y651-T674 HydrophobicContact CE2-CG2 4.21Å |
| 652 | K | 93.2 | Very high | 90.3 | Very high | 69 Ų | 69 | 38.7 Ų | 38.7 | 30% | 0.3 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.1 | 169.1 | -66.9 | 168.9 | 179.1 | 160.4 | 0 | 107.7 | I619 S620 G622 W629 L670 | I619-K652 CarbonylContact C-O 3.36Å; I619-K652 WeakPolarHBondContact CA-O 3.38Å; S620-K652 PolarHBondContact N-O 2.77Å; S620-K652 PolarHBondContact O-N 2.71Å; G622-K652 WeakPolarHBondContact O-CE 3.37Å; G622-K652 PolarHBondContact O-NZ 2.98Å; W629-K652 HydrophobicContact CH2-CB 3.76Å; W629-K652 HydrophobicContact CZ3-CB 4.26Å; W629-K652 WeakPolarHBondContact CZ3-O 3.09Å; K652-L670 CarbonylContact C-O 3.56Å; K652-L670 WeakPolarHBondContact CA-O 3.5Å |
| 653 | L | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 145 | 178.3 | -56.8 | 99.2 | 0 | 0 | 0 | 111.8 | F597 V599 L617 E618 I619 S669 L670 V672 | F597-L653 HydrophobicContact CE2-CD1 3.63Å; F597-L653 HydrophobicContact CE2-CD2 3.77Å; F597-L653 HydrophobicContact CE2-CG 4.35Å; F597-L653 HydrophobicContact CZ-CD1 3.68Å; F597-L653 HydrophobicContact CZ-CD2 4.25Å; V599-L653 HydrophobicContact CG2-CD2 4.39Å; L617-L653 HydrophobicContact CD1-CB 4.37Å; L617-L653 HydrophobicContact CD1-CD2 4.37Å; L617-L653 HydrophobicContact CD2-CD2 3.98Å; L617-L653 HydrophobicContact CG-CD2 4.3Å; E618-L653 CarbonylContact O-C 3.55Å; E618-L653 VanDerWaalsContact O-CA 3.26Å; E618-L653 WeakPolarHBondContact O-CA 3.27Å; I619-L653 HydrophobicContact CB-CD2 4.41Å; I619-L653 HydrophobicContact CB-CG 4.5Å; I619-L653 HydrophobicContact CD1-CD2 4.03Å; I619-L653 HydrophobicContact CD1-CG 4.34Å; I619-L653 HydrophobicContact CG1-CD2 4.2Å; I619-L653 HydrophobicContact CG1-CG 4.09Å; L653-S669 CarbonylContact O-C 3.48Å; L653-S669 VanDerWaalsContact O-CA 3.25Å; L653-S669 WeakPolarHBondContact O-CA 3.4Å; L653-L670 PolarHBondContact N-O 2.75Å; L653-L670 PolarHBondContact O-N 2.99Å; L653-V672 HydrophobicContact CD1-CB 4.21Å; L653-V672 HydrophobicContact CD1-CG2 3.54Å |
| 654 | R | 95.2 | Very high | 90.4 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 143.7 | 171.4 | 66.1 | -170.2 | -170.6 | -163.2 | -1.9 | 110.6 | E618 W629 C666 S667 | E618-R654 HydrophobicContact CB-CG 3.96Å; E618-R654 PolarHBondContact N-O 2.99Å; E618-R654 PolarHBondContact O-N 2.88Å; E618-R654 IonicContact OE2-CZ 2.7Å; E618-R654 IonicContact OE2-NE 3.17Å; E618-R654 PolarHBondContact OE2-NE 2.87Å; E618-R654 IonicContact OE2-NH2 3.76Å; E618-R654 PolarHBondContact OE2-NH2 2.93Å; W629-R654 VanDerWaalsContact CE2-NH1 3.33Å; W629-R654 HydrophobicContact CE3-CG 3.85Å; W629-R654 HydrophobicContact CH2-CB 4.46Å; W629-R654 HydrophobicContact CH2-CG 4.15Å; W629-R654 HydrophobicContact CZ3-CB 4.18Å; W629-R654 HydrophobicContact CZ3-CG 3.63Å; R654-C666 HydrophobicContact CB-CB 4.23Å; R654-C666 HydrophobicContact CG-CB 3.83Å; R654-S667 WeakPolarHBondContact CA-OG 3.45Å |
| 655 | A | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | P583 P586 W601 L616 C666 S667 | P583-A655 HydrophobicContact CB-CB 4Å; P583-A655 WeakPolarHBondContact CD-O 3.13Å; P583-A655 HydrophobicContact CG-CB 4.28Å; P586-A655 HydrophobicContact CG-CB 3.93Å; W601-A655 HydrophobicContact CB-CB 4.16Å; W601-A655 HydrophobicContact CD2-CB 4.02Å; W601-A655 HydrophobicContact CG-CB 3.82Å; L616-A655 CarbonylContact O-C 3.5Å; L616-A655 WeakPolarHBondContact O-CA 3.44Å; A655-C666 CarbonylContact O-C 3.49Å; A655-C666 WeakPolarHBondContact O-CA 3.47Å; A655-S667 PolarHBondContact N-OG 3Å; A655-S667 PolarHBondContact O-N 2.97Å |
| 656 | C | 94.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 165.6 | 174.8 | -23.9 | 0 | 0 | 0 | 0 | 108.1 | Y615 L616 C666 | Y615-C656 CarbonylContact C-O 3.59Å; Y615-C656 WeakPolarHBondContact CA-O 3.41Å; L616-C656 HydrophobicContact CB-CB 4.37Å; L616-C656 PolarHBondContact N-O 2.76Å; L616-C656 PolarHBondContact O-N 3.16Å; C656-C666 HydrophobicContact CB-CB 3.98Å; C656-C666 WeakPolarHBondContact CB-SG 3.09Å; C656-C666 WeakPolarHBondContact SG-CB 3.42Å; C656-C666 CovalentContact SG-SG 2.04Å; C656-C666 PolarHBondContact SG-SG 3.05Å |
| 657 | C | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 165.5 | 177.3 | 69.8 | 0 | 0 | 0 | 0 | 112.5 | P583 I612 K614 Y615 H663 S664 | P583-C657 HydrophobicContact CG-CB 3.9Å; I612-C657 HydrophobicContact CG2-CB 3.77Å; K614-C657 CarbonylContact O-C 3.5Å; K614-C657 WeakPolarHBondContact O-CA 3.39Å; Y615-C657 HydrophobicContact CD1-CB 3.62Å; Y615-C657 HydrophobicContact CE1-CB 3.8Å; Y615-C657 HydrophobicContact CG-CB 4.46Å; C657-H663 CarbonylContact O-C 3.47Å; C657-H663 WeakPolarHBondContact O-CA 3.33Å; C657-S664 PolarHBondContact N-OG 3.5Å; C657-S664 PolarHBondContact O-N 2.55Å; C657-S664 PolarHBondContact O-OG 2.85Å; C657-S664 PolarHBondContact SG-OG 3.41Å |
| 658 | I | 93.1 | Very high | 91.5 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 14% | 0.138 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130.1 | -176.6 | -51.7 | 177.9 | 0 | 0 | 0 | 109 | L613 K614 L616 G662 H663 | L613-I658 PolarHBondContact N-O 2.79Å; K614-I658 HydrophobicContact CD-CD1 4.49Å; K614-I658 HydrophobicContact CG-CB 4.41Å; K614-I658 HydrophobicContact CG-CD1 4.14Å; K614-I658 HydrophobicContact CG-CG1 4.47Å; K614-I658 PolarHBondContact N-O 2.92Å; K614-I658 PolarHBondContact O-N 2.96Å; L616-I658 HydrophobicContact CD1-CD1 4.23Å; L616-I658 HydrophobicContact CG-CD1 4.41Å; I658-G662 WeakPolarHBondContact CA-O 3.43Å; I658-H663 VanDerWaalsContact CD1-CE1 3.46Å; I658-H663 WeakPolarHBondContact CD1-CE1 3.47Å |
| 659 | S | 92.4 | Very high | 92 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | -176.4 | 165.3 | 77.5 | 0 | 0 | 0 | 0 | 110.5 | P580 S610 E611 G661 G662 | P580-S659 WeakPolarHBondContact CD-OG 3.35Å; S610-S659 WeakPolarHBondContact OG-CB 3.19Å; S610-S659 PolarHBondContact OG-OG 3.45Å; E611-S659 WeakPolarHBondContact O-CB 3.46Å; S659-G661 PolarHBondContact O-N 2.66Å; S659-G661 PolarHBondContact OG-N 2.98Å; S659-G662 PolarHBondContact N-O 3.08Å; S659-G662 PolarHBondContact O-N 3.12Å |
| 660 | T | 89.3 | Confident | 92.4 | Very high | 100 Ų | 100 | 44.2 Ų | 44.2 | 61% | 0.613 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.7 | 170.5 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | S610 L613 G662 | S610-T660 VanDerWaalsContact CB-OG1 3.31Å; S610-T660 WeakPolarHBondContact CB-OG1 3.29Å; L613-T660 HydrophobicContact CD1-CG2 4.11Å; T660-G662 VanDerWaalsContact C-N 3.32Å |
| 661 | G | 84.2 | Confident | 92.5 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.5 | 169 | 0 | 0 | 0 | 0 | 0 | 114.4 | D578 R579 S659 | D578-G661 WeakPolarHBondContact O-CA 3.42Å; R579-G661 VanDerWaalsContact CG-O 3.32Å; R579-G661 WeakPolarHBondContact CG-O 3.48Å; S659-G661 PolarHBondContact O-N 2.66Å; S659-G661 PolarHBondContact OG-N 2.98Å |
| 662 | G | 87.8 | Confident | 92.6 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.1 | -162.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | P580 I658 S659 T660 | P580-G662 WeakPolarHBondContact CD-O 3.29Å; I658-G662 WeakPolarHBondContact CA-O 3.43Å; S659-G662 PolarHBondContact N-O 3.08Å; S659-G662 PolarHBondContact O-N 3.12Å; T660-G662 VanDerWaalsContact C-N 3.32Å |
| 663 | H | 91.6 | Very high | 92.4 | Very high | 106 Ų | 106 | 47.2 Ų | 47.2 | 49% | 0.491 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 139.1 | 178 | -68.8 | -128.1 | 0 | 0 | 0 | 111.1 | R579 C657 I658 | R579-H663 WeakPolarHBondContact CD-O 3.5Å; C657-H663 CarbonylContact O-C 3.47Å; C657-H663 WeakPolarHBondContact O-CA 3.33Å; I658-H663 VanDerWaalsContact CD1-CE1 3.46Å; I658-H663 WeakPolarHBondContact CD1-CE1 3.47Å |
| 664 | S | 94.9 | Very high | 92.2 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 171 | 166.1 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | P580 G581 C657 | P580-S664 VanDerWaalsContact O-CA 3.24Å; P580-S664 WeakPolarHBondContact O-CA 3.49Å; P580-S664 WeakPolarHBondContact O-CB 3.4Å; G581-S664 WeakPolarHBondContact O-CB 3.44Å; C657-S664 PolarHBondContact N-OG 3.5Å; C657-S664 PolarHBondContact O-N 2.55Å; C657-S664 PolarHBondContact O-OG 2.85Å; C657-S664 PolarHBondContact SG-OG 3.41Å |
| 665 | Q | 92.9 | Very high | 91.8 | Very high | 153 Ų | 153 | 49 Ų | 49 | 72% | 0.715 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 152.1 | 151.5 | -65.2 | 177.8 | -1.2 | 0 | 0 | 109.3 | P582 | P582-Q665 WeakPolarHBondContact CA-O 3.24Å; P582-Q665 WeakPolarHBondContact CB-O 3.44Å |
| 666 | C | 92.9 | Very high | 91.2 | Very high | 41 Ų | 41 | 50.4 Ų | 50.4 | 28% | 0.277 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 156.4 | 170.4 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | R654 A655 C656 | R654-C666 HydrophobicContact CB-CB 4.23Å; R654-C666 HydrophobicContact CG-CB 3.83Å; A655-C666 CarbonylContact O-C 3.49Å; A655-C666 WeakPolarHBondContact O-CA 3.47Å; C656-C666 HydrophobicContact CB-CB 3.98Å; C656-C666 WeakPolarHBondContact CB-SG 3.09Å; C656-C666 WeakPolarHBondContact SG-CB 3.42Å; C656-C666 CovalentContact SG-SG 2.04Å; C656-C666 PolarHBondContact SG-SG 3.05Å |
| 667 | S | 95.1 | Very high | 90.7 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 167.8 | 175.5 | 73.3 | 0 | 0 | 0 | 0 | 112.5 | P583 P586 R654 A655 | P583-S667 WeakPolarHBondContact O-CB 3.24Å; P586-S667 VanDerWaalsContact CD-OG 3.24Å; P586-S667 WeakPolarHBondContact CD-OG 3.43Å; R654-S667 WeakPolarHBondContact CA-OG 3.45Å; A655-S667 PolarHBondContact N-OG 3Å; A655-S667 PolarHBondContact O-N 2.97Å |
| 668 | E | 91.8 | Very high | 90.2 | Very high | 148 Ų | 148 | 54 Ų | 54 | 69% | 0.692 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -51 | 151.9 | 156.5 | -69.1 | -172.7 | 163.5 | 0 | 0 | 111.1 | R585 | R585-E668 HydrophobicContact CB-CB 4.32Å; R585-E668 HydrophobicContact CG-CB 4.12Å |
| 669 | S | 91.5 | Very high | 89.9 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -84 | 138.3 | -179 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | R585 L653 P671 | R585-S669 PolarHBondContact NE-O 3.46Å; R585-S669 PolarHBondContact NH2-O 2.92Å; L653-S669 CarbonylContact O-C 3.48Å; L653-S669 VanDerWaalsContact O-CA 3.25Å; L653-S669 WeakPolarHBondContact O-CA 3.4Å; S669-P671 WeakPolarHBondContact O-CD 3.43Å |
| 670 | L | 93.5 | Very high | 89.5 | Confident | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 111.6 | 166.8 | 177.5 | 72.3 | 0 | 0 | 0 | 108.8 | P586 I588 V599 K652 L653 V672 | P586-L670 HydrophobicContact CB-CB 4.3Å; P586-L670 HydrophobicContact CB-CD2 4.14Å; P586-L670 WeakPolarHBondContact O-CD2 3.5Å; I588-L670 HydrophobicContact CD1-CD2 4.12Å; I588-L670 HydrophobicContact CG1-CD2 4.28Å; V599-L670 HydrophobicContact CG1-CD2 3.86Å; K652-L670 CarbonylContact C-O 3.56Å; K652-L670 WeakPolarHBondContact CA-O 3.5Å; L653-L670 PolarHBondContact N-O 2.75Å; L653-L670 PolarHBondContact O-N 2.99Å; L670-V672 HydrophobicContact CD2-CG2 3.52Å; L670-V672 HydrophobicContact CG-CG2 3.6Å |
| 671 | P | 92.6 | Very high | 89.4 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 134.9 | 165 | 31.4 | -29.5 | 0 | 0 | 0 | 109.9 | R585 L650 Y651 S669 | R585-P671 VanDerWaalsContact NH2-CD 3.3Å; L650-P671 HydrophobicContact CD1-CB 4.14Å; Y651-P671 CarbonylContact O-C 3.55Å; Y651-P671 WeakPolarHBondContact O-CA 3.5Å; S669-P671 WeakPolarHBondContact O-CD 3.43Å |
| 672 | V | 91.6 | Very high | 89.7 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 126.1 | 179 | -169.1 | 0 | 0 | 0 | 0 | 108.2 | I588 I592 F597 Y651 L653 L670 | I588-V672 HydrophobicContact CD1-CB 4.47Å; I588-V672 HydrophobicContact CD1-CG1 3.77Å; I588-V672 HydrophobicContact CD1-CG2 3.8Å; I592-V672 HydrophobicContact CD1-CG1 3.8Å; I592-V672 HydrophobicContact CG1-CG1 4.36Å; F597-V672 HydrophobicContact CD1-CB 4.42Å; F597-V672 HydrophobicContact CD1-CG1 3.59Å; F597-V672 HydrophobicContact CD2-CG1 4.31Å; F597-V672 HydrophobicContact CE1-CB 3.94Å; F597-V672 HydrophobicContact CE1-CG1 3.59Å; F597-V672 HydrophobicContact CE2-CB 4.41Å; F597-V672 HydrophobicContact CE2-CG1 4.33Å; F597-V672 HydrophobicContact CE2-CG2 4.3Å; F597-V672 HydrophobicContact CG-CG1 3.97Å; F597-V672 HydrophobicContact CZ-CB 3.96Å; F597-V672 HydrophobicContact CZ-CG1 4Å; F597-V672 HydrophobicContact CZ-CG2 4.28Å; Y651-V672 PolarHBondContact N-O 3.17Å; Y651-V672 PolarHBondContact O-N 3.38Å; L653-V672 HydrophobicContact CD1-CB 4.21Å; L653-V672 HydrophobicContact CD1-CG2 3.54Å; L670-V672 HydrophobicContact CD2-CG2 3.52Å; L670-V672 HydrophobicContact CG-CG2 3.6Å |
| 673 | R | 90 | Very high | 89.8 | Confident | 126 Ų | 126 | 59.1 Ų | 59.1 | 48% | 0.475 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 127.3 | 169.7 | -161.5 | 175.3 | -178 | -155.3 | -13.4 | 108.2 | G648 T649 L650 D756 | G648-R673 PolarHBondContact O-NE 3.39Å; G648-R673 PolarHBondContact O-NH2 3.44Å; G648-R673 VanDerWaalsContact O-NH2 3.14Å; T649-R673 WeakPolarHBondContact O-CA 3.42Å; L650-R673 HydrophobicContact CD1-CB 4.48Å; R673-D756 IonicContact CZ-OD2 3.33Å; R673-D756 IonicContact NH1-OD2 3.38Å; R673-D756 IonicContact NH2-OD2 2.72Å; R673-D756 PolarHBondContact NH2-OD2 2.97Å |
| 674 | T | 89.8 | Confident | 89.9 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 156.8 | 168.5 | 42.3 | 0 | 0 | 0 | 0 | 110.3 | S594 F597 L645 K646 G648 T649 Y651 | S594-T674 VanDerWaalsContact O-CB 3.3Å; S594-T674 WeakPolarHBondContact O-CB 3.39Å; S594-T674 WeakPolarHBondContact O-CG2 3.37Å; F597-T674 HydrophobicContact CD1-CG2 4.11Å; F597-T674 HydrophobicContact CE1-CG2 4.04Å; L645-T674 HydrophobicContact CB-CG2 3.93Å; L645-T674 HydrophobicContact CD1-CG2 3.96Å; K646-T674 PolarHBondContact O-OG1 2.87Å; G648-T674 WeakPolarHBondContact CA-O 3.41Å; G648-T674 PolarHBondContact N-OG1 2.85Å; T649-T674 PolarHBondContact N-OG1 2.84Å; T649-T674 PolarHBondContact O-N 3.4Å; T649-T674 VanDerWaalsContact O-N 3.1Å; T649-T674 PolarHBondContact O-OG1 3.08Å; Y651-T674 HydrophobicContact CD2-CG2 4.32Å; Y651-T674 HydrophobicContact CE2-CG2 4.21Å |
| 675 | L | 86.5 | Confident | 89.9 | Confident | 98 Ų | 98 | 56.4 Ų | 56.4 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -66 | 144.1 | 174.1 | -61 | -176 | 0 | 0 | 0 | 110.5 | I592 T593 S594 P647 G648 | I592-L675 HydrophobicContact CG2-CG 4.41Å; I592-L675 WeakPolarHBondContact O-CD1 3.29Å; T593-L675 PolarHBondContact O-N 2.88Å; S594-L675 WeakPolarHBondContact CA-O 3.41Å; P647-L675 WeakPolarHBondContact CA-O 3.39Å; P647-L675 WeakPolarHBondContact CB-O 3.28Å; G648-L675 PolarHBondContact N-O 3.36Å |
| 676 | S | 84.2 | Confident | 89.9 | Confident | 31 Ų | 31 | 54 Ų | 54 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 151.4 | 170.1 | -52.8 | 0 | 0 | 0 | 0 | 110.2 | C709 D756 | S676-C709 PolarHBondContact OG-SG 2.88Å; S676-C709 VanDerWaalsContact OG-SG 3.4Å; S676-D756 VanDerWaalsContact OG-CB 3.23Å; S676-D756 WeakPolarHBondContact OG-CB 3.3Å |
| 677 | V | 84.3 | Confident | 90 | Very high | 51 Ų | 51 | 55 Ų | 55 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | trans | -116 | 135.8 | 173 | 177.6 | 0 | 0 | 0 | 0 | 107.4 | P647 S707 N755 | P647-V677 HydrophobicContact CB-CB 4.23Å; P647-V677 HydrophobicContact CB-CG2 3.81Å; P647-V677 HydrophobicContact CG-CB 4.32Å; P647-V677 HydrophobicContact CG-CG2 3.81Å; V677-S707 WeakPolarHBondContact O-CB 3.4Å; V677-N755 PolarHBondContact O-ND2 2.99Å; V677-N755 PolarHBondContact O-OD1 2.82Å | ||
| 678 | A | 84.4 | Confident | 89.8 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -53.9 | 150.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y759 | A678-Y759 WeakPolarHBondContact CB-O 3.28Š|
| 679 | P | 86.2 | Confident | 89.6 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 155.2 | -179.9 | -23.1 | 35.6 | 0 | 0 | 0 | 112.5 | P703 V711 A753 N755 G758 G760 P761 | P679-P703 HydrophobicContact CB-CB 4.45Å; P679-P703 HydrophobicContact CB-CG 3.72Å; P679-V711 HydrophobicContact CB-CG2 4.22Å; P679-V711 HydrophobicContact CG-CG2 3.94Å; P679-A753 HydrophobicContact CB-CB 3.76Å; P679-A753 HydrophobicContact CG-CB 3.79Å; P679-N755 HydrophobicContact CG-CB 4.14Å; P679-G758 WeakPolarHBondContact CD-O 3.4Å; P679-G760 WeakPolarHBondContact O-CA 3.37Å; P679-P761 WeakPolarHBondContact O-CD 3.45Å |
| 680 | G | 84.4 | Confident | 89.3 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 169 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | C682 P703 | G680-C682 PolarHBondContact O-N 2.84Å; G680-P703 VanDerWaalsContact O-CB 3.31Å; G680-P703 WeakPolarHBondContact O-CB 3.49Å |
| 681 | P | 87.5 | Confident | 89 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 136.7 | 173.4 | 24.6 | -32.4 | 0 | 0 | 0 | 110.2 | P761 | P681-P761 HydrophobicContact CB-CG 3.97Å; P681-P761 HydrophobicContact CG-CG 4.34Å |
| 682 | C | 90.6 | Very high | 88.8 | Confident | 6 Ų | 6 | 59 Ų | 59 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 159.2 | 166.4 | -62.8 | 0 | 0 | 0 | 0 | 110 | G680 V751 S763 | G680-C682 PolarHBondContact O-N 2.84Å; C682-V751 HydrophobicContact CB-CG1 3.7Å; C682-S763 WeakPolarHBondContact O-CB 3.35Å |
| 683 | R | 90.5 | Very high | 88.6 | Confident | 169 Ų | 169 | 62.1 Ų | 62.1 | 64% | 0.638 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 149 | 161.5 | -74.3 | 173.6 | 170.9 | 175.7 | -3.6 | 109.4 | D701 | R683-D701 WeakPolarHBondContact CD-OD2 3.36Å; R683-D701 IonicContact CZ-OD2 2.75Å; R683-D701 IonicContact NE-OD2 2.7Å; R683-D701 IonicContact NH1-OD2 3.17Å; R683-D701 PolarHBondContact NH1-OD2 3.4Å |
| 684 | P | 92.4 | Very high | 88.6 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 40% | 0.403 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 139.4 | 174.2 | -26.7 | 36.7 | 0 | 0 | 0 | 111.1 | R686 E764 T766 | P684-R686 PolarHBondContact O-N 2.96Å; P684-E764 WeakPolarHBondContact CB-O 3.48Å; P684-E764 HydrophobicContact CG-CB 4.01Å; P684-T766 VanDerWaalsContact CB-OG1 3.25Å; P684-T766 WeakPolarHBondContact CB-OG1 3.37Å |
| 685 | P | 94.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 130.2 | -177.5 | 26.7 | -33.1 | 0 | 0 | 0 | 109.9 | W700 F749 V751 T766 | P685-W700 HydrophobicContact CB-CE3 4.49Å; P685-F749 HydrophobicContact CG-CB 3.83Å; P685-F749 WeakPolarHBondContact CG-O 3.38Å; P685-V751 HydrophobicContact CB-CG1 4.45Å; P685-T766 WeakPolarHBondContact CD-OG1 2.94Å; P685-T766 VanDerWaalsContact O-CB 3.29Å; P685-T766 WeakPolarHBondContact O-CB 3.24Å; P685-T766 WeakPolarHBondContact O-CG2 3.42Å; P685-T766 PolarHBondContact O-OG1 2.87Å |
| 686 | R | 94.1 | Very high | 89.1 | Confident | 104 Ų | 104 | 59.8 Ų | 59.8 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 150.8 | 173.5 | 53.2 | 169.3 | 172.8 | -87.9 | -2.5 | 109.9 | P684 L698 Q699 D701 | P684-R686 PolarHBondContact O-N 2.96Å; R686-L698 WeakPolarHBondContact O-CA 3.13Å; R686-Q699 HydrophobicContact CG-CB 4.29Å; R686-Q699 WeakPolarHBondContact CG-O 3.44Å; R686-Q699 PolarHBondContact N-O 2.95Å; R686-Q699 PolarHBondContact O-N 2.91Å; R686-D701 IonicContact CZ-OD1 2.68Å; R686-D701 VanDerWaalsContact CZ-OD1 3.23Å; R686-D701 VanDerWaalsContact NH1-CG 3.27Å; R686-D701 IonicContact NH1-OD1 2.8Å; R686-D701 PolarHBondContact NH1-OD1 2.9Å; R686-D701 IonicContact NH1-OD2 3.19Å; R686-D701 PolarHBondContact NH1-OD2 3.36Å; R686-D701 IonicContact NH2-OD1 2.88Å; R686-D701 PolarHBondContact NH2-OD1 2.69Å |
| 687 | I | 94.7 | Very high | 89.6 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 141.6 | 168.6 | -167.4 | 161.6 | 0 | 0 | 0 | 110.7 | P691 V696 Q697 I768 | I687-P691 HydrophobicContact CD1-CB 3.61Å; I687-P691 HydrophobicContact CD1-CG 4.03Å; I687-V696 HydrophobicContact CD1-CG1 4.01Å; I687-V696 HydrophobicContact CG1-CG1 4.18Å; I687-Q697 WeakPolarHBondContact CA-O 3.38Å; I687-I768 HydrophobicContact CB-CD1 4.23Å; I687-I768 HydrophobicContact CD1-CG2 3.96Å |
| 688 | L | 91.3 | Very high | 90.1 | Very high | 62 Ų | 62 | 59.2 Ų | 59.2 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | trans | -106.3 | 115 | 174.6 | -171.1 | 133.3 | 0 | 0 | 0 | 109.3 | Q697 Q699 | L688-Q697 HydrophobicContact CB-CB 4.09Å; L688-Q697 HydrophobicContact CD2-CB 4.42Å; L688-Q697 PolarHBondContact N-O 2.65Å; L688-Q699 HydrophobicContact CD1-CB 4.13Å; L688-Q699 VanDerWaalsContact CD1-NE2 3.28Å | ||
| 689 | G | 86.6 | Confident | 90.7 | Very high | 63 Ų | 63 | 60 Ų | 60 | 65% | 0.649 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 73.8 | -155.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 690 | T | 85.2 | Confident | 91.1 | Very high | 120 Ų | 120 | 60 Ų | 60 | 74% | 0.736 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -90.7 | 144 | 173.8 | 50.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 691 | P | 88.1 | Confident | 91.4 | Very high | 42 Ų | 42 | 60.6 Ų | 60.6 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | trans | -61.2 | 144.7 | 173.7 | 26.8 | -31 | 0 | 0 | 0 | 110 | I687 V696 A771 | I687-P691 HydrophobicContact CD1-CB 3.61Å; I687-P691 HydrophobicContact CD1-CG 4.03Å; P691-V696 HydrophobicContact CB-CG2 4.32Å; P691-A771 WeakPolarHBondContact O-CB 3.32Å | ||
| 692 | K | 88.4 | Confident | 91.5 | Very high | 101 Ų | 101 | 59.7 Ų | 59.7 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | trans | -100.5 | 175.3 | 169.4 | -54.4 | -173.5 | -160 | 161 | 0 | 109 | E695 T770 A771 | K692-E695 HydrophobicContact CB-CG 3.89Å; K692-E695 WeakPolarHBondContact CB-O 3.45Å; K692-E695 HydrophobicContact CD-CG 3.85Å; K692-E695 WeakPolarHBondContact CD-OE1 3.29Å; K692-E695 WeakPolarHBondContact CE-OE1 3.2Å; K692-E695 HydrophobicContact CG-CG 4.23Å; K692-E695 PolarHBondContact N-O 3.05Å; K692-E695 IonicContact NZ-OE1 2.76Å; K692-E695 PolarHBondContact NZ-OE1 2.74Å; K692-T770 WeakPolarHBondContact O-CB 3.46Å; K692-A771 PolarHBondContact O-N 2.72Å | ||
| 693 | H | 86.5 | Confident | 91.3 | Very high | 72 Ų | 72 | 60 Ų | 60 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -80.8 | -15 | -174.8 | 67.7 | -91.6 | 0 | 0 | 0 | 114.3 | P743 A771 | H693-P743 HydrophobicContact CB-CB 4.23Å; H693-P743 HydrophobicContact CB-CG 4.38Å; H693-P743 VanDerWaalsContact O-CA 3.23Å; H693-P743 WeakPolarHBondContact O-CA 3.35Å; H693-P743 WeakPolarHBondContact O-CG 3.12Å; H693-A771 VanDerWaalsContact CA-O 3.28Å; H693-A771 WeakPolarHBondContact CA-O 3.46Å; H693-A771 WeakPolarHBondContact CB-O 3.39Å |
| 694 | K | 89.3 | Confident | 90.4 | Very high | 122 Ų | 122 | 56.3 Ų | 56.3 | 53% | 0.53 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -131.2 | -0.6 | 178.3 | -84.5 | 169.7 | -176.9 | 178 | 0 | 114.4 | S739 N740 L741 | K694-S739 CarbonylContact O-C 3.57Å; K694-S739 WeakPolarHBondContact O-CA 3.41Å; K694-N740 PolarHBondContact O-N 3.06Å; K694-L741 WeakPolarHBondContact CA-O 3.47Å; K694-L741 PolarHBondContact O-N 3.04Å |
| 695 | E | 92.8 | Very high | 88.8 | Confident | 55 Ų | 55 | 59 Ų | 59 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 151.1 | 179.5 | 62.7 | 177.7 | -145.5 | 0 | 0 | 112.6 | K692 T737 V738 | K692-E695 HydrophobicContact CB-CG 3.89Å; K692-E695 WeakPolarHBondContact CB-O 3.45Å; K692-E695 HydrophobicContact CD-CG 3.85Å; K692-E695 WeakPolarHBondContact CD-OE1 3.29Å; K692-E695 WeakPolarHBondContact CE-OE1 3.2Å; K692-E695 HydrophobicContact CG-CG 4.23Å; K692-E695 PolarHBondContact N-O 3.05Å; K692-E695 IonicContact NZ-OE1 2.76Å; K692-E695 PolarHBondContact NZ-OE1 2.74Å; E695-T737 HydrophobicContact CB-CG2 4.06Å; E695-T737 HydrophobicContact CG-CG2 4.48Å; E695-V738 CarbonylContact C-O 3.57Å; E695-V738 WeakPolarHBondContact CA-O 3.32Å; E695-V738 WeakPolarHBondContact CB-O 3.36Å |
| 696 | V | 94.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.4 | 174 | 169.7 | 0 | 0 | 0 | 0 | 108.1 | I687 P691 L698 V738 L741 I768 T770 | I687-V696 HydrophobicContact CD1-CG1 4.01Å; I687-V696 HydrophobicContact CG1-CG1 4.18Å; P691-V696 HydrophobicContact CB-CG2 4.32Å; V696-L698 HydrophobicContact CG1-CD2 3.6Å; V696-L698 HydrophobicContact CG1-CG 4.13Å; V696-V738 PolarHBondContact N-O 2.87Å; V696-V738 PolarHBondContact O-N 3.03Å; V696-L741 HydrophobicContact CB-CD1 3.94Å; V696-L741 HydrophobicContact CG2-CD1 3.69Å; V696-I768 HydrophobicContact CG1-CD1 4.06Å; V696-I768 HydrophobicContact CG1-CG2 4.07Å; V696-I768 HydrophobicContact CG2-CG2 3.98Å; V696-T770 HydrophobicContact CG2-CG2 4.11Å |
| 697 | Q | 94.7 | Very high | 85.3 | Confident | 69 Ų | 69 | 62.6 Ų | 62.6 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123 | 170.9 | -54.7 | -161.3 | -60.7 | 0 | 0 | 108.7 | I687 L688 C736 T737 | I687-Q697 WeakPolarHBondContact CA-O 3.38Å; L688-Q697 HydrophobicContact CB-CB 4.09Å; L688-Q697 HydrophobicContact CD2-CB 4.42Å; L688-Q697 PolarHBondContact N-O 2.65Å; Q697-C736 WeakPolarHBondContact CA-O 3.46Å; Q697-T737 HydrophobicContact CG-CG2 4.14Å; Q697-T737 PolarHBondContact NE2-OG1 2.86Å |
| 698 | L | 96.3 | Very high | 83.7 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 142.4 | -179.3 | -59.7 | 175.6 | 0 | 0 | 0 | 109.2 | R686 V696 W700 V716 E735 C736 V738 F749 I768 | R686-L698 WeakPolarHBondContact O-CA 3.13Å; V696-L698 HydrophobicContact CG1-CD2 3.6Å; V696-L698 HydrophobicContact CG1-CG 4.13Å; L698-W700 HydrophobicContact CB-CE3 4.41Å; L698-W700 HydrophobicContact CB-CZ3 4.09Å; L698-V716 HydrophobicContact CD1-CG1 4.12Å; L698-E735 CarbonylContact O-C 3.56Å; L698-E735 WeakPolarHBondContact O-CA 3.44Å; L698-E735 VanDerWaalsContact O-CB 3.25Å; L698-E735 WeakPolarHBondContact O-CB 3.42Å; L698-C736 PolarHBondContact N-O 2.62Å; L698-C736 PolarHBondContact O-N 2.94Å; L698-V738 HydrophobicContact CD1-CG2 3.78Å; L698-V738 HydrophobicContact CG-CG2 4.48Å; L698-F749 HydrophobicContact CD1-CB 4.01Å; L698-F749 HydrophobicContact CD1-CD1 3.57Å; L698-F749 HydrophobicContact CD1-CD2 4.39Å; L698-F749 HydrophobicContact CD1-CE1 4.08Å; L698-F749 HydrophobicContact CD1-CG 3.73Å; L698-F749 HydrophobicContact CD2-CB 4.43Å; L698-F749 HydrophobicContact CD2-CD2 4.14Å; L698-F749 HydrophobicContact CD2-CG 4.19Å; L698-I768 HydrophobicContact CD2-CD1 3.49Å; L698-I768 VanDerWaalsContact CD2-CD1 3.49Å |
| 699 | Q | 95.6 | Very high | 82.8 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 145.6 | 169.7 | -172.6 | -177.4 | 83.5 | 0 | 0 | 109.6 | R686 L688 L734 E735 | R686-Q699 HydrophobicContact CG-CB 4.29Å; R686-Q699 WeakPolarHBondContact CG-O 3.44Å; R686-Q699 PolarHBondContact N-O 2.95Å; R686-Q699 PolarHBondContact O-N 2.91Å; L688-Q699 HydrophobicContact CD1-CB 4.13Å; L688-Q699 VanDerWaalsContact CD1-NE2 3.28Å; Q699-L734 CarbonylContact C-O 3.58Å; Q699-L734 VanDerWaalsContact CA-O 3.3Å; Q699-L734 WeakPolarHBondContact CA-O 3.47Å; Q699-L734 WeakPolarHBondContact CG-O 3.27Å; Q699-E735 HydrophobicContact CB-CB 4.15Å; Q699-E735 HydrophobicContact CG-CB 4.16Å; Q699-E735 PolarHBondContact NE2-OE2 2.77Å |
| 700 | W | 95.2 | Very high | 82.5 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.008 | 35% | 0.351 | C | S | . | . | trans | -133.3 | 161.7 | 176.7 | 50.3 | 93.7 | 0 | 0 | 0 | 111.4 | P685 L698 Y714 V716 Y729 D733 L734 C736 V751 | P685-W700 HydrophobicContact CB-CE3 4.49Å; L698-W700 HydrophobicContact CB-CE3 4.41Å; L698-W700 HydrophobicContact CB-CZ3 4.09Å; W700-Y714 AromaticContact CD1-CD1 3.69Å; W700-Y714 AromaticContact CD1-CE1 3.89Å; W700-Y714 HydrophobicContact CZ2-CG 4.46Å; W700-Y714 AromaticContact NE1-CD1 3.3Å; W700-Y714 VanDerWaalsContact NE1-CD1 3.3Å; W700-Y714 AromaticContact NE1-CD2 3.65Å; W700-Y714 AromaticContact NE1-CE1 3.81Å; W700-Y714 AromaticContact NE1-CG 3.21Å; W700-V716 HydrophobicContact CE3-CG2 4.24Å; W700-V716 HydrophobicContact CH2-CG2 3.54Å; W700-V716 HydrophobicContact CZ2-CG2 3.95Å; W700-V716 HydrophobicContact CZ3-CG2 3.7Å; W700-Y729 AromaticContact CH2-CD1 3.78Å; W700-Y729 HydrophobicContact CH2-CD1 3.78Å; W700-Y729 HydrophobicContact CH2-CE1 4.11Å; W700-Y729 HydrophobicContact CH2-CG 4.25Å; W700-Y729 AromaticContact CZ2-CD1 3.86Å; W700-Y729 HydrophobicContact CZ2-CD1 3.86Å; W700-Y729 AromaticContact CZ2-CE1 3.85Å; W700-Y729 HydrophobicContact CZ2-CE1 3.85Å; W700-D733 VanDerWaalsContact CZ2-O 3.23Å; W700-D733 WeakPolarHBondContact CZ2-O 3.2Å; W700-L734 PolarHBondContact N-O 3.26Å; W700-C736 HydrophobicContact CH2-CB 3.95Å; W700-C736 HydrophobicContact CZ3-CB 4.29Å; W700-V751 HydrophobicContact CB-CG1 3.91Å; W700-V751 HydrophobicContact CD2-CG1 4.45Å; W700-V751 HydrophobicContact CD2-CG2 3.99Å; W700-V751 HydrophobicContact CG-CG1 4.01Å; W700-V751 HydrophobicContact CG-CG2 4.07Å | ||
| 701 | D | 91.4 | Very high | 82.6 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 22% | 0.219 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 145.9 | 170.9 | -58.1 | -33.8 | 0 | 0 | 0 | 109.1 | R683 R686 | R683-D701 WeakPolarHBondContact CD-OD2 3.36Å; R683-D701 IonicContact CZ-OD2 2.75Å; R683-D701 IonicContact NE-OD2 2.7Å; R683-D701 IonicContact NH1-OD2 3.17Å; R683-D701 PolarHBondContact NH1-OD2 3.4Å; R686-D701 IonicContact CZ-OD1 2.68Å; R686-D701 VanDerWaalsContact CZ-OD1 3.23Å; R686-D701 VanDerWaalsContact NH1-CG 3.27Å; R686-D701 IonicContact NH1-OD1 2.8Å; R686-D701 PolarHBondContact NH1-OD1 2.9Å; R686-D701 IonicContact NH1-OD2 3.19Å; R686-D701 PolarHBondContact NH1-OD2 3.36Å; R686-D701 IonicContact NH2-OD1 2.88Å; R686-D701 PolarHBondContact NH2-OD1 2.69Å |
| 702 | A | 88.5 | Confident | 82.6 | Confident | 56 Ų | 56 | 58.6 Ų | 58.6 | 46% | 0.463 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 140.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y714 L734 | A702-Y714 VanDerWaalsContact CB-OH 3.28Å; A702-Y714 WeakPolarHBondContact CB-OH 3.41Å; A702-L734 HydrophobicContact CB-CD2 4.4Å |
| 703 | P | 86.5 | Confident | 82.8 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 8% | 0.078 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 151.1 | 178.6 | 27.2 | -35.4 | 0 | 0 | 0 | 111.4 | P679 G680 V711 A753 | P679-P703 HydrophobicContact CB-CB 4.45Å; P679-P703 HydrophobicContact CB-CG 3.72Å; G680-P703 VanDerWaalsContact O-CB 3.31Å; G680-P703 WeakPolarHBondContact O-CB 3.49Å; P703-V711 HydrophobicContact CG-CG2 3.83Å; P703-A753 HydrophobicContact CG-CB 3.79Å |
| 704 | P | 72.1 | Confident | 83.2 | Confident | 91 Ų | 91 | 54.6 Ų | 54.6 | 59% | 0.591 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 140.5 | -178 | 23.4 | -33.2 | 0 | 0 | 0 | 112.2 | E706 | P704-E706 PolarHBondContact O-N 2.83Š|
| 705 | S | 57.9 | Low | 83.5 | Confident | 118 Ų | 118 | 48.8 Ų | 48.8 | 83% | 0.825 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -79.2 | 33.2 | -159.9 | 50.4 | 0 | 0 | 0 | 0 | 116.2 | S707 | S705-S707 VanDerWaalsContact C-N 3.29Å; S705-S707 PolarHBondContact O-N 3.16Å |
| 706 | E | 55.8 | Low | 83.7 | Confident | 169 Ų | 169 | 46.2 Ų | 46.2 | 79% | 0.79 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -72.1 | -21.7 | 178.6 | -58.5 | -168.6 | 167 | 0 | 0 | 113.2 | P704 G708 | P704-E706 PolarHBondContact O-N 2.83Å; E706-G708 VanDerWaalsContact C-N 3.26Å; E706-G708 PolarHBondContact O-N 2.87Å |
| 707 | S | 58.8 | Low | 83.8 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -72.1 | -7.3 | -174 | 56 | 0 | 0 | 0 | 0 | 115.6 | P647 V677 S705 C709 | P647-S707 WeakPolarHBondContact CB-O 3.36Å; V677-S707 WeakPolarHBondContact O-CB 3.4Å; S705-S707 VanDerWaalsContact C-N 3.29Å; S705-S707 PolarHBondContact O-N 3.16Å; S707-C709 PolarHBondContact O-N 2.81Å; S707-C709 PolarHBondContact OG-O 2.92Å |
| 708 | G | 61.8 | Low | 83.9 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 71 | -29.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | E706 | E706-G708 VanDerWaalsContact C-N 3.26Å; E706-G708 PolarHBondContact O-N 2.87Å |
| 709 | C | 72.9 | Confident | 83.9 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 5% | 0.054 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -100.7 | 140.7 | 169.9 | -77.2 | 0 | 0 | 0 | 0 | 111.2 | S676 S707 N755 D756 | S676-C709 PolarHBondContact OG-SG 2.88Å; S676-C709 VanDerWaalsContact OG-SG 3.4Å; S707-C709 PolarHBondContact O-N 2.81Å; S707-C709 PolarHBondContact OG-O 2.92Å; C709-N755 HydrophobicContact CB-CB 4.34Å; C709-N755 PolarHBondContact O-ND2 2.9Å; C709-D756 HydrophobicContact CB-CB 4.34Å |
| 710 | P | 79.7 | Confident | 83.7 | Confident | 114 Ų | 114 | 46.3 Ų | 46.3 | 74% | 0.74 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 150.8 | 173.2 | 29.7 | -35.7 | 0 | 0 | 0 | 110.9 | N755 | P710-N755 WeakPolarHBondContact O-CB 3.43Š|
| 711 | V | 86.7 | Confident | 83.4 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 24% | 0.242 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 135.6 | 168.2 | 175.8 | 0 | 0 | 0 | 0 | 108.9 | P679 P703 E713 Y714 A753 L754 | P679-V711 HydrophobicContact CB-CG2 4.22Å; P679-V711 HydrophobicContact CG-CG2 3.94Å; P703-V711 HydrophobicContact CG-CG2 3.83Å; V711-E713 WeakPolarHBondContact CG1-O 3.34Å; V711-Y714 HydrophobicContact CG1-CD1 4.38Å; V711-Y714 HydrophobicContact CG1-CD2 4.43Å; V711-Y714 HydrophobicContact CG1-CE1 3.82Å; V711-Y714 HydrophobicContact CG1-CE2 3.86Å; V711-A753 HydrophobicContact CG1-CB 3.75Å; V711-A753 HydrophobicContact CG2-CB 3.89Å; V711-L754 WeakPolarHBondContact CA-O 3.48Å; V711-L754 WeakPolarHBondContact CG1-O 3.28Å |
| 712 | S | 88.6 | Confident | 83.3 | Confident | 60 Ų | 60 | 55.7 Ų | 55.7 | 42% | 0.42 | 33% | 0.331 | S | S | . | . | trans | -95.5 | -43.4 | 174.3 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | L754 | S712-L754 PolarHBondContact N-O 2.62Å; S712-L754 PolarHBondContact OG-O 2.86Å | ||
| 713 | E | 93.1 | Very high | 83.4 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 157.9 | -168.2 | -71.6 | 163 | 176.9 | 0 | 0 | 110.7 | V711 G731 A753 L754 | V711-E713 WeakPolarHBondContact CG1-O 3.34Å; E713-G731 CarbonylContact C-O 3.56Å; E713-G731 WeakPolarHBondContact CA-O 3.31Å; E713-A753 CarbonylContact O-C 3.54Å; E713-L754 HydrophobicContact CB-CB 4.29Å; E713-L754 HydrophobicContact CB-CD2 4.34Å; E713-L754 PolarHBondContact O-N 3.23Å; E713-L754 WeakPolarHBondContact OE2-CD2 3.32Å |
| 714 | Y | 95.3 | Very high | 83.6 | Confident | 15 Ų | 15 | 61 Ų | 61 | 6% | 0.059 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 151 | 174.5 | -60.4 | -86.8 | 0 | 0 | 0 | 110.1 | W700 A702 V711 H730 G731 D733 L734 V751 R752 A753 | W700-Y714 AromaticContact CD1-CD1 3.69Å; W700-Y714 AromaticContact CD1-CE1 3.89Å; W700-Y714 HydrophobicContact CZ2-CG 4.46Å; W700-Y714 AromaticContact NE1-CD1 3.3Å; W700-Y714 VanDerWaalsContact NE1-CD1 3.3Å; W700-Y714 AromaticContact NE1-CD2 3.65Å; W700-Y714 AromaticContact NE1-CE1 3.81Å; W700-Y714 AromaticContact NE1-CG 3.21Å; A702-Y714 VanDerWaalsContact CB-OH 3.28Å; A702-Y714 WeakPolarHBondContact CB-OH 3.41Å; V711-Y714 HydrophobicContact CG1-CD1 4.38Å; V711-Y714 HydrophobicContact CG1-CD2 4.43Å; V711-Y714 HydrophobicContact CG1-CE1 3.82Å; V711-Y714 HydrophobicContact CG1-CE2 3.86Å; Y714-H730 WeakPolarHBondContact O-CA 3.4Å; Y714-G731 PolarHBondContact N-O 3.36Å; Y714-G731 PolarHBondContact O-N 2.81Å; Y714-D733 WeakPolarHBondContact CD2-O 3.44Å; Y714-L734 HydrophobicContact CD2-CD2 4.4Å; Y714-L734 HydrophobicContact CE1-CD2 4.13Å; Y714-L734 HydrophobicContact CE2-CD2 3.62Å; Y714-L734 HydrophobicContact CE2-CG 4.42Å; Y714-L734 VanDerWaalsContact CZ-CD2 3.47Å; Y714-L734 WeakPolarHBondContact OH-CD2 3.32Å; Y714-V751 HydrophobicContact CD1-CG2 4.42Å; Y714-R752 WeakPolarHBondContact CA-O 3.3Å; Y714-A753 HydrophobicContact CD1-CB 3.87Å; Y714-A753 HydrophobicContact CE1-CB 3.78Å |
| 715 | S | 96.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 116.1 | -178.9 | 160.4 | 0 | 0 | 0 | 0 | 107.5 | E727 Y729 V751 R752 | S715-E727 VanDerWaalsContact CB-OE2 3.25Å; S715-E727 WeakPolarHBondContact CB-OE2 3.46Å; S715-E727 PolarHBondContact OG-OE2 2.89Å; S715-Y729 WeakPolarHBondContact CA-O 3.25Å; S715-V751 WeakPolarHBondContact O-CA 3.13Å; S715-R752 PolarHBondContact N-O 3.14Å; S715-R752 PolarHBondContact O-N 2.95Å; S715-R752 PolarHBondContact OG-NE 3.01Å; S715-R752 PolarHBondContact OG-NH2 3.04Å; S715-R752 VanDerWaalsContact OG-NH2 3.12Å |
| 716 | V | 96.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.6 | -178.6 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | L698 W700 E727 V728 Y729 R750 V751 | L698-V716 HydrophobicContact CD1-CG1 4.12Å; W700-V716 HydrophobicContact CE3-CG2 4.24Å; W700-V716 HydrophobicContact CH2-CG2 3.54Å; W700-V716 HydrophobicContact CZ2-CG2 3.95Å; W700-V716 HydrophobicContact CZ3-CG2 3.7Å; V716-E727 CarbonylContact O-C 3.58Å; V716-E727 WeakPolarHBondContact O-CA 3.25Å; V716-V728 HydrophobicContact CB-CG2 4.19Å; V716-V728 HydrophobicContact CG1-CG2 3.9Å; V716-V728 PolarHBondContact O-N 3.11Å; V716-Y729 HydrophobicContact CG2-CD1 4.06Å; V716-Y729 HydrophobicContact CG2-CG 4.44Å; V716-Y729 PolarHBondContact N-O 2.94Å; V716-Y729 PolarHBondContact O-N 2.84Å; V716-R750 WeakPolarHBondContact CA-O 3.21Å; V716-V751 HydrophobicContact CG2-CB 4.05Å; V716-V751 HydrophobicContact CG2-CG2 3.69Å |
| 717 | E | 96.1 | Very high | 88.2 | Confident | 30 Ų | 30 | 53.4 Ų | 53.4 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 139.6 | 169.6 | -76.6 | 176.8 | 171.3 | 0 | 0 | 111.1 | I725 S726 F749 R750 Y762 | E717-I725 HydrophobicContact CB-CG2 4.13Å; E717-I725 HydrophobicContact CG-CG2 4.12Å; E717-S726 WeakPolarHBondContact CA-O 3.2Å; E717-F749 WeakPolarHBondContact O-CA 3.5Å; E717-R750 HydrophobicContact CB-CG 4.06Å; E717-R750 PolarHBondContact N-O 3.5Å; E717-R750 PolarHBondContact O-N 2.87Å; E717-R750 IonicContact OE2-CZ 2.73Å; E717-R750 IonicContact OE2-NE 3.79Å; E717-R750 PolarHBondContact OE2-NE 3.07Å; E717-R750 IonicContact OE2-NH2 3.74Å; E717-R750 PolarHBondContact OE2-NH2 2.91Å; E717-Y762 HydrophobicContact CB-CE1 4.35Å; E717-Y762 HydrophobicContact CG-CE1 3.94Å; E717-Y762 WeakPolarHBondContact CG-OH 3.4Å; E717-Y762 PolarHBondContact OE1-OH 3.05Å; E717-Y762 VanDerWaalsContact OE2-CZ 3.27Å; E717-Y762 PolarHBondContact OE2-OH 2.94Å |
| 718 | M | 95.9 | Very high | 89.9 | Confident | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.059 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 140.9 | 164.1 | -179.2 | 178.4 | 70.1 | 0 | 0 | 109 | E720 I725 S726 V728 V738 L741 Y747 R748 F749 | M718-E720 HydrophobicContact CE-CG 3.8Å; M718-E720 WeakPolarHBondContact CE-OE1 3.36Å; M718-I725 WeakPolarHBondContact O-CA 3.26Å; M718-S726 PolarHBondContact N-O 3.4Å; M718-S726 PolarHBondContact O-N 2.68Å; M718-V728 HydrophobicContact CB-CB 4.44Å; M718-V728 HydrophobicContact CB-CG1 3.53Å; M718-V728 HydrophobicContact CB-CG2 4.02Å; M718-V728 HydrophobicContact CE-CG1 4.06Å; M718-V728 HydrophobicContact SD-CG1 4.31Å; M718-V738 HydrophobicContact SD-CG1 4.14Å; M718-L741 HydrophobicContact CE-CD2 4.46Å; M718-L741 HydrophobicContact SD-CD2 3.47Å; M718-L741 WeakPolarHBondContact SD-CD2 3.48Å; M718-Y747 HydrophobicContact CE-CD1 4.42Å; M718-Y747 HydrophobicContact CE-CE1 4.41Å; M718-Y747 HydrophobicContact CG-CD1 3.85Å; M718-Y747 HydrophobicContact CG-CG 4.47Å; M718-Y747 HydrophobicContact SD-CD1 3.51Å; M718-Y747 VanDerWaalsContact SD-CD1 3.51Å; M718-Y747 HydrophobicContact SD-CE1 3.91Å; M718-Y747 HydrophobicContact SD-CG 4.22Å; M718-R748 CarbonylContact C-O 3.56Å; M718-R748 WeakPolarHBondContact CA-O 3.42Å; M718-F749 HydrophobicContact CB-CD1 3.92Å; M718-F749 HydrophobicContact CB-CE1 3.67Å; M718-F749 HydrophobicContact CG-CD1 4.09Å; M718-F749 HydrophobicContact CG-CE1 3.49Å; M718-F749 VanDerWaalsContact CG-CE1 3.49Å; M718-F749 HydrophobicContact CG-CZ 4.03Å; M718-F749 HydrophobicContact SD-CE1 3.84Å; M718-F749 HydrophobicContact SD-CZ 4.11Å |
| 719 | T | 96.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.4 | 163.9 | -45.8 | 0 | 0 | 0 | 0 | 108.6 | E723 V724 I725 Y747 R748 | T719-E723 WeakPolarHBondContact CG2-OE2 3.32Å; T719-V724 CarbonylContact C-O 3.57Å; T719-V724 VanDerWaalsContact CA-O 3.32Å; T719-V724 WeakPolarHBondContact CA-O 3.32Å; T719-I725 HydrophobicContact CG2-CG1 4.03Å; T719-Y747 WeakPolarHBondContact O-CA 3.38Å; T719-R748 PolarHBondContact N-O 3.14Å; T719-R748 PolarHBondContact O-N 3.1Å |
| 720 | E | 92.3 | Very high | 92.6 | Very high | 67 Ų | 67 | 59 Ų | 59 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | trans | -82.2 | 165.2 | 177.5 | -56.7 | -169.5 | 167.2 | 0 | 0 | 111.5 | M718 E722 E723 V724 Y747 | M718-E720 HydrophobicContact CE-CG 3.8Å; M718-E720 WeakPolarHBondContact CE-OE1 3.36Å; E720-E722 PolarHBondContact O-N 2.92Å; E720-E722 VanDerWaalsContact O-N 3.11Å; E720-E723 WeakPolarHBondContact O-CA 3.45Å; E720-E723 PolarHBondContact O-N 3.22Å; E720-V724 HydrophobicContact CB-CB 4.29Å; E720-V724 HydrophobicContact CG-CB 4.45Å; E720-V724 PolarHBondContact N-O 2.63Å; E720-Y747 HydrophobicContact CB-CE1 4.32Å; E720-Y747 HydrophobicContact CG-CD1 4.33Å; E720-Y747 HydrophobicContact CG-CE1 4.07Å | ||
| 721 | P | 88.4 | Confident | 93.3 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 50% | 0.5 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25 | 177.3 | -24.4 | 32.4 | 0 | 0 | 0 | 114.8 | E723 T745 | P721-E723 PolarHBondContact O-N 2.89Å; P721-T745 HydrophobicContact CG-CG2 3.34Å |
| 722 | E | 89.3 | Confident | 93.6 | Very high | 164 Ų | 164 | 56.1 Ų | 56.1 | 77% | 0.766 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 11.4 | 176.2 | -57.2 | -168.8 | 172.9 | 0 | 0 | 113 | E720 V724 | E720-E722 PolarHBondContact O-N 2.92Å; E720-E722 VanDerWaalsContact O-N 3.11Å; E722-V724 HydrophobicContact CB-CG2 4.18Å; E722-V724 PolarHBondContact O-N 2.88Å |
| 723 | E | 90.2 | Very high | 93.9 | Very high | 110 Ų | 110 | 57.5 Ų | 57.5 | 51% | 0.514 | 30% | 0.3 | S | S | . | . | trans | 59.6 | 19.6 | -174.5 | -57.2 | -67.6 | 165.3 | 0 | 0 | 114.1 | T719 E720 P721 R748 | T719-E723 WeakPolarHBondContact CG2-OE2 3.32Å; E720-E723 WeakPolarHBondContact O-CA 3.45Å; E720-E723 PolarHBondContact O-N 3.22Å; P721-E723 PolarHBondContact O-N 2.89Å; E723-R748 IonicContact OE1-CZ 3.25Å; E723-R748 VanDerWaalsContact OE1-CZ 3.28Å; E723-R748 IonicContact OE1-NH1 2.73Å; E723-R748 PolarHBondContact OE1-NH1 2.87Å; E723-R748 IonicContact OE1-NH2 3.15Å; E723-R748 PolarHBondContact OE1-NH2 2.87Å; E723-R748 IonicContact OE2-CZ 2.73Å; E723-R748 IonicContact OE2-NH1 2.71Å; E723-R748 PolarHBondContact OE2-NH1 2.92Å | ||
| 724 | V | 90.7 | Very high | 93.9 | Very high | 70 Ų | 70 | 57.3 Ų | 57.3 | 42% | 0.424 | 30% | 0.302 | S | S | . | . | trans | -72.5 | 132.6 | 169.4 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | T719 E720 E722 | T719-V724 CarbonylContact C-O 3.57Å; T719-V724 VanDerWaalsContact CA-O 3.32Å; T719-V724 WeakPolarHBondContact CA-O 3.32Å; E720-V724 HydrophobicContact CB-CB 4.29Å; E720-V724 HydrophobicContact CG-CB 4.45Å; E720-V724 PolarHBondContact N-O 2.63Å; E722-V724 HydrophobicContact CB-CG2 4.18Å; E722-V724 PolarHBondContact O-N 2.88Å | ||
| 725 | I | 94.2 | Very high | 93.9 | Very high | 84 Ų | 84 | 61.6 Ų | 61.6 | 43% | 0.431 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.5 | -178.4 | -56.5 | 175.3 | 0 | 0 | 0 | 110.2 | E717 M718 T719 | E717-I725 HydrophobicContact CB-CG2 4.13Å; E717-I725 HydrophobicContact CG-CG2 4.12Å; M718-I725 WeakPolarHBondContact O-CA 3.26Å; T719-I725 HydrophobicContact CG2-CG1 4.03Å |
| 726 | S | 93 | Very high | 93.8 | Very high | 39 Ų | 39 | 62.3 Ų | 62.3 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 139.9 | 178.1 | 61.7 | 0 | 0 | 0 | 0 | 112.1 | E717 M718 V728 | E717-S726 WeakPolarHBondContact CA-O 3.2Å; M718-S726 PolarHBondContact N-O 3.4Å; M718-S726 PolarHBondContact O-N 2.68Å; S726-V728 PolarHBondContact O-N 3.05Å |
| 727 | E | 95.9 | Very high | 93.7 | Very high | 95 Ų | 95 | 65.4 Ų | 65.4 | 44% | 0.444 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 121.7 | 165.5 | -172.8 | 171.8 | 60.3 | 0 | 0 | 109.2 | S715 V716 H730 | S715-E727 VanDerWaalsContact CB-OE2 3.25Å; S715-E727 WeakPolarHBondContact CB-OE2 3.46Å; S715-E727 PolarHBondContact OG-OE2 2.89Å; V716-E727 CarbonylContact O-C 3.58Å; V716-E727 WeakPolarHBondContact O-CA 3.25Å; E727-H730 IonicContact OE1-ND1 2.67Å; E727-H730 PolarHBondContact OE1-ND1 2.88Å; E727-H730 IonicContact OE2-ND1 3.59Å; E727-H730 PolarHBondContact OE2-ND1 2.9Å |
| 728 | V | 95.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 64.3 Ų | 64.3 | 28% | 0.279 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -14.2 | -175.5 | -67.5 | 0 | 0 | 0 | 0 | 113.5 | V716 M718 S726 V738 | V716-V728 HydrophobicContact CB-CG2 4.19Å; V716-V728 HydrophobicContact CG1-CG2 3.9Å; V716-V728 PolarHBondContact O-N 3.11Å; M718-V728 HydrophobicContact CB-CB 4.44Å; M718-V728 HydrophobicContact CB-CG1 3.53Å; M718-V728 HydrophobicContact CB-CG2 4.02Å; M718-V728 HydrophobicContact CE-CG1 4.06Å; M718-V728 HydrophobicContact SD-CG1 4.31Å; S726-V728 PolarHBondContact O-N 3.05Å; V728-V738 HydrophobicContact CB-CG1 4.09Å; V728-V738 HydrophobicContact CB-CG2 4.12Å; V728-V738 HydrophobicContact CG1-CG1 4.09Å; V728-V738 HydrophobicContact CG2-CG1 4.38Å; V728-V738 HydrophobicContact CG2-CG2 3.75Å |
| 729 | Y | 96.1 | Very high | 93.5 | Very high | 37 Ų | 37 | 66.7 Ų | 66.7 | 15% | 0.145 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 141.7 | 169.4 | 175.2 | -90 | 0 | 0 | 0 | 110.7 | W700 S715 V716 G731 D733 C736 | W700-Y729 AromaticContact CH2-CD1 3.78Å; W700-Y729 HydrophobicContact CH2-CD1 3.78Å; W700-Y729 HydrophobicContact CH2-CE1 4.11Å; W700-Y729 HydrophobicContact CH2-CG 4.25Å; W700-Y729 AromaticContact CZ2-CD1 3.86Å; W700-Y729 HydrophobicContact CZ2-CD1 3.86Å; W700-Y729 AromaticContact CZ2-CE1 3.85Å; W700-Y729 HydrophobicContact CZ2-CE1 3.85Å; S715-Y729 WeakPolarHBondContact CA-O 3.25Å; V716-Y729 HydrophobicContact CG2-CD1 4.06Å; V716-Y729 HydrophobicContact CG2-CG 4.44Å; V716-Y729 PolarHBondContact N-O 2.94Å; V716-Y729 PolarHBondContact O-N 2.84Å; Y729-G731 VanDerWaalsContact OH-CA 3.26Å; Y729-G731 WeakPolarHBondContact OH-CA 3.48Å; Y729-D733 WeakPolarHBondContact OH-CB 3.4Å; Y729-D733 VanDerWaalsContact OH-CG 3.23Å; Y729-D733 PolarHBondContact OH-N 3.41Å; Y729-D733 PolarHBondContact OH-OD2 3.08Å; Y729-C736 HydrophobicContact CD1-CB 4.49Å; Y729-C736 HydrophobicContact CD2-CB 3.44Å; Y729-C736 VanDerWaalsContact CD2-CB 3.44Å; Y729-C736 HydrophobicContact CE2-CB 4.19Å; Y729-C736 HydrophobicContact CG-CB 3.63Å |
| 730 | H | 95.3 | Very high | 93.2 | Very high | 93 Ų | 93 | 73.3 Ų | 73.3 | 43% | 0.431 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 113.1 | 177 | -170.9 | 107.5 | 0 | 0 | 0 | 109 | Y714 E727 Y759 | Y714-H730 WeakPolarHBondContact O-CA 3.4Å; E727-H730 IonicContact OE1-ND1 2.67Å; E727-H730 PolarHBondContact OE1-ND1 2.88Å; E727-H730 IonicContact OE2-ND1 3.59Å; E727-H730 PolarHBondContact OE2-ND1 2.9Å; H730-Y759 PolarHBondContact CE1-OH 2.76Å |
| 731 | G | 94.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 70.4 Ų | 70.4 | 8% | 0.082 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.3 | -177.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | E713 Y714 Y729 | E713-G731 CarbonylContact C-O 3.56Å; E713-G731 WeakPolarHBondContact CA-O 3.31Å; Y714-G731 PolarHBondContact N-O 3.36Å; Y714-G731 PolarHBondContact O-N 2.81Å; Y729-G731 VanDerWaalsContact OH-CA 3.26Å; Y729-G731 WeakPolarHBondContact OH-CA 3.48Å |
| 732 | P | 92.9 | Very high | 93.2 | Very high | 87 Ų | 87 | 71.8 Ų | 71.8 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -83.7 | -10.8 | -171.1 | 34.9 | -37.4 | 0 | 0 | 0 | 115 | ||
| 733 | D | 93.7 | Very high | 93.2 | Very high | 88 Ų | 88 | 65.1 Ų | 65.1 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | trans | -76.3 | 162.1 | -171.5 | -46 | -65.4 | 0 | 0 | 0 | 112 | W700 Y714 Y729 | W700-D733 VanDerWaalsContact CZ2-O 3.23Å; W700-D733 WeakPolarHBondContact CZ2-O 3.2Å; Y714-D733 WeakPolarHBondContact CD2-O 3.44Å; Y729-D733 WeakPolarHBondContact OH-CB 3.4Å; Y729-D733 VanDerWaalsContact OH-CG 3.23Å; Y729-D733 PolarHBondContact OH-N 3.41Å; Y729-D733 PolarHBondContact OH-OD2 3.08Å | ||
| 734 | L | 93.7 | Very high | 93 | Very high | 72 Ų | 72 | 61.2 Ų | 61.2 | 38% | 0.377 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -98.4 | 6.1 | 176.7 | -71.8 | 174.6 | 0 | 0 | 0 | 113.3 | Q699 W700 A702 Y714 | Q699-L734 CarbonylContact C-O 3.58Å; Q699-L734 VanDerWaalsContact CA-O 3.3Å; Q699-L734 WeakPolarHBondContact CA-O 3.47Å; Q699-L734 WeakPolarHBondContact CG-O 3.27Å; W700-L734 PolarHBondContact N-O 3.26Å; A702-L734 HydrophobicContact CB-CD2 4.4Å; Y714-L734 HydrophobicContact CD2-CD2 4.4Å; Y714-L734 HydrophobicContact CE1-CD2 4.13Å; Y714-L734 HydrophobicContact CE2-CD2 3.62Å; Y714-L734 HydrophobicContact CE2-CG 4.42Å; Y714-L734 VanDerWaalsContact CZ-CD2 3.47Å; Y714-L734 WeakPolarHBondContact OH-CD2 3.32Å |
| 735 | E | 94.7 | Very high | 93 | Very high | 104 Ų | 104 | 59.3 Ų | 59.3 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 152.2 | 180 | 55.3 | -172.5 | -138.3 | 0 | 0 | 112.3 | L698 Q699 | L698-E735 CarbonylContact O-C 3.56Å; L698-E735 WeakPolarHBondContact O-CA 3.44Å; L698-E735 VanDerWaalsContact O-CB 3.25Å; L698-E735 WeakPolarHBondContact O-CB 3.42Å; Q699-E735 HydrophobicContact CB-CB 4.15Å; Q699-E735 HydrophobicContact CG-CB 4.16Å; Q699-E735 PolarHBondContact NE2-OE2 2.77Å |
| 736 | C | 94.5 | Very high | 92.9 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 10% | 0.101 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 158 | 173.3 | 69.7 | 0 | 0 | 0 | 0 | 111.5 | Q697 L698 W700 Y729 | Q697-C736 WeakPolarHBondContact CA-O 3.46Å; L698-C736 PolarHBondContact N-O 2.62Å; L698-C736 PolarHBondContact O-N 2.94Å; W700-C736 HydrophobicContact CH2-CB 3.95Å; W700-C736 HydrophobicContact CZ3-CB 4.29Å; Y729-C736 HydrophobicContact CD1-CB 4.49Å; Y729-C736 HydrophobicContact CD2-CB 3.44Å; Y729-C736 VanDerWaalsContact CD2-CB 3.44Å; Y729-C736 HydrophobicContact CE2-CB 4.19Å; Y729-C736 HydrophobicContact CG-CB 3.63Å |
| 737 | T | 95.2 | Very high | 92.9 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 115.2 | 167.9 | -58.7 | 0 | 0 | 0 | 0 | 108.8 | E695 Q697 | E695-T737 HydrophobicContact CB-CG2 4.06Å; E695-T737 HydrophobicContact CG-CG2 4.48Å; Q697-T737 HydrophobicContact CG-CG2 4.14Å; Q697-T737 PolarHBondContact NE2-OG1 2.86Å |
| 738 | V | 94.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.4 | 172.1 | -171.5 | 0 | 0 | 0 | 0 | 107.6 | E695 V696 L698 M718 V728 L741 F749 | E695-V738 CarbonylContact C-O 3.57Å; E695-V738 WeakPolarHBondContact CA-O 3.32Å; E695-V738 WeakPolarHBondContact CB-O 3.36Å; V696-V738 PolarHBondContact N-O 2.87Å; V696-V738 PolarHBondContact O-N 3.03Å; L698-V738 HydrophobicContact CD1-CG2 3.78Å; L698-V738 HydrophobicContact CG-CG2 4.48Å; M718-V738 HydrophobicContact SD-CG1 4.14Å; V728-V738 HydrophobicContact CB-CG1 4.09Å; V728-V738 HydrophobicContact CB-CG2 4.12Å; V728-V738 HydrophobicContact CG1-CG1 4.09Å; V728-V738 HydrophobicContact CG2-CG1 4.38Å; V728-V738 HydrophobicContact CG2-CG2 3.75Å; V738-L741 HydrophobicContact CG1-CD2 3.93Å; V738-L741 HydrophobicContact CG1-CG 4.4Å; V738-F749 HydrophobicContact CB-CE1 4.28Å; V738-F749 HydrophobicContact CG1-CE1 4.17Å; V738-F749 HydrophobicContact CG2-CE1 3.98Å |
| 739 | S | 92.9 | Very high | 93 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 43% | 0.434 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 174.9 | -173.8 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | K694 L741 | K694-S739 CarbonylContact O-C 3.57Å; K694-S739 WeakPolarHBondContact O-CA 3.41Å; S739-L741 PolarHBondContact O-N 3.26Å |
| 740 | N | 89.9 | Confident | 93 | Very high | 149 Ų | 149 | 55.5 Ų | 55.5 | 80% | 0.797 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 63.4 | 23.4 | -173.1 | -49.3 | -60.1 | 0 | 0 | 0 | 114.3 | K694 | K694-N740 PolarHBondContact O-N 3.06Š|
| 741 | L | 91.7 | Very high | 93 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -72 | 153 | 174.8 | -57 | 177.3 | 0 | 0 | 0 | 111.1 | K694 V696 M718 V738 S739 Y747 F749 T770 | K694-L741 WeakPolarHBondContact CA-O 3.47Å; K694-L741 PolarHBondContact O-N 3.04Å; V696-L741 HydrophobicContact CB-CD1 3.94Å; V696-L741 HydrophobicContact CG2-CD1 3.69Å; M718-L741 HydrophobicContact CE-CD2 4.46Å; M718-L741 HydrophobicContact SD-CD2 3.47Å; M718-L741 WeakPolarHBondContact SD-CD2 3.48Å; V738-L741 HydrophobicContact CG1-CD2 3.93Å; V738-L741 HydrophobicContact CG1-CG 4.4Å; S739-L741 PolarHBondContact O-N 3.26Å; L741-Y747 HydrophobicContact CB-CE2 3.89Å; L741-Y747 HydrophobicContact CD2-CD1 4.23Å; L741-Y747 HydrophobicContact CD2-CD2 4.2Å; L741-Y747 HydrophobicContact CD2-CE1 4Å; L741-Y747 HydrophobicContact CD2-CE2 3.97Å; L741-Y747 HydrophobicContact CD2-CG 4.32Å; L741-Y747 HydrophobicContact CG-CE2 4.38Å; L741-F749 HydrophobicContact CD1-CZ 4.39Å; L741-T770 HydrophobicContact CB-CG2 3.71Å; L741-T770 HydrophobicContact CD1-CG2 3.77Å; L741-T770 HydrophobicContact CG-CG2 4.4Å |
| 742 | L | 89.3 | Confident | 93 | Very high | 106 Ų | 106 | 53.2 Ų | 53.2 | 56% | 0.555 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 142.1 | 172.7 | -62.2 | 176.9 | 0 | 0 | 0 | 110.4 | T745 Y747 T770 | L742-T745 HydrophobicContact CB-CG2 4.22Å; L742-T745 WeakPolarHBondContact CB-OG1 3.43Å; L742-T745 WeakPolarHBondContact O-CB 3.16Å; L742-Y747 WeakPolarHBondContact CB-OH 3.23Å; L742-Y747 PolarHBondContact N-OH 2.78Å; L742-T770 WeakPolarHBondContact O-CB 3.3Å; L742-T770 PolarHBondContact O-OG1 2.64Å |
| 743 | P | 88.9 | Confident | 93 | Very high | 23 Ų | 23 | 49 Ų | 49 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 149.4 | 174.8 | -24.8 | 34.7 | 0 | 0 | 0 | 114.5 | H693 T745 T770 S801 | H693-P743 HydrophobicContact CB-CB 4.23Å; H693-P743 HydrophobicContact CB-CG 4.38Å; H693-P743 VanDerWaalsContact O-CA 3.23Å; H693-P743 WeakPolarHBondContact O-CA 3.35Å; H693-P743 WeakPolarHBondContact O-CG 3.12Å; P743-T745 PolarHBondContact O-N 2.95Å; P743-T745 PolarHBondContact O-OG1 3.45Å; P743-T770 VanDerWaalsContact C-OG1 3.31Å; P743-S801 VanDerWaalsContact CB-O 3.25Å; P743-S801 WeakPolarHBondContact CB-O 3.25Å |
| 744 | G | 86.3 | Confident | 92.9 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 20.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | T769 T770 A771 | G744-T769 WeakPolarHBondContact O-CG2 3.24Å; G744-T770 WeakPolarHBondContact CA-O 3.23Å; G744-T770 PolarHBondContact N-OG1 2.82Å; G744-A771 PolarHBondContact N-O 3.35Å |
| 745 | T | 90.3 | Very high | 92.6 | Very high | 31 Ų | 31 | 43.1 Ų | 43.1 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | trans | -107.3 | 135.8 | -169 | -62.8 | 0 | 0 | 0 | 0 | 109.9 | P721 L742 P743 Y747 T769 T770 | P721-T745 HydrophobicContact CG-CG2 3.34Å; L742-T745 HydrophobicContact CB-CG2 4.22Å; L742-T745 WeakPolarHBondContact CB-OG1 3.43Å; L742-T745 WeakPolarHBondContact O-CB 3.16Å; P743-T745 PolarHBondContact O-N 2.95Å; P743-T745 PolarHBondContact O-OG1 3.45Å; T745-Y747 HydrophobicContact CG2-CD2 4.26Å; T745-Y747 HydrophobicContact CG2-CE2 3.62Å; T745-Y747 WeakPolarHBondContact O-CD2 3.41Å; T745-T769 WeakPolarHBondContact O-CA 3.49Å; T745-T770 PolarHBondContact N-OG1 3.23Å; T745-T770 PolarHBondContact O-N 2.94Å; T745-T770 PolarHBondContact O-OG1 2.85Å | ||
| 746 | T | 91.9 | Very high | 92.1 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 37% | 0.368 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.2 | -178.7 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | E767 T769 | T746-E767 HydrophobicContact CG2-CB 4.19Å; T746-T769 PolarHBondContact OG1-OG1 3.32Å |
| 747 | Y | 94.3 | Very high | 91.4 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 152.7 | 175 | -66.3 | -90.5 | 0 | 0 | 0 | 109.8 | M718 T719 E720 L741 L742 T745 F749 E767 I768 T770 | M718-Y747 HydrophobicContact CE-CD1 4.42Å; M718-Y747 HydrophobicContact CE-CE1 4.41Å; M718-Y747 HydrophobicContact CG-CD1 3.85Å; M718-Y747 HydrophobicContact CG-CG 4.47Å; M718-Y747 HydrophobicContact SD-CD1 3.51Å; M718-Y747 VanDerWaalsContact SD-CD1 3.51Å; M718-Y747 HydrophobicContact SD-CE1 3.91Å; M718-Y747 HydrophobicContact SD-CG 4.22Å; T719-Y747 WeakPolarHBondContact O-CA 3.38Å; E720-Y747 HydrophobicContact CB-CE1 4.32Å; E720-Y747 HydrophobicContact CG-CD1 4.33Å; E720-Y747 HydrophobicContact CG-CE1 4.07Å; L741-Y747 HydrophobicContact CB-CE2 3.89Å; L741-Y747 HydrophobicContact CD2-CD1 4.23Å; L741-Y747 HydrophobicContact CD2-CD2 4.2Å; L741-Y747 HydrophobicContact CD2-CE1 4Å; L741-Y747 HydrophobicContact CD2-CE2 3.97Å; L741-Y747 HydrophobicContact CD2-CG 4.32Å; L741-Y747 HydrophobicContact CG-CE2 4.38Å; L742-Y747 WeakPolarHBondContact CB-OH 3.23Å; L742-Y747 PolarHBondContact N-OH 2.78Å; T745-Y747 HydrophobicContact CG2-CD2 4.26Å; T745-Y747 HydrophobicContact CG2-CE2 3.62Å; T745-Y747 WeakPolarHBondContact O-CD2 3.41Å; Y747-F749 HydrophobicContact CG-CZ 4.36Å; Y747-E767 WeakPolarHBondContact O-CA 3.18Å; Y747-I768 PolarHBondContact N-O 2.85Å; Y747-I768 PolarHBondContact O-N 3.31Å; Y747-T770 HydrophobicContact CD2-CG2 4.34Å; Y747-T770 HydrophobicContact CE2-CG2 4.24Å |
| 748 | R | 95.6 | Very high | 90.9 | Very high | 75 Ų | 75 | 42.4 Ų | 42.4 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.8 | 172.8 | -40.3 | -160.2 | -168.6 | 89.3 | 2.8 | 110.7 | M718 T719 E723 P765 T766 E767 | M718-R748 CarbonylContact C-O 3.56Å; M718-R748 WeakPolarHBondContact CA-O 3.42Å; T719-R748 PolarHBondContact N-O 3.14Å; T719-R748 PolarHBondContact O-N 3.1Å; E723-R748 IonicContact OE1-CZ 3.25Å; E723-R748 VanDerWaalsContact OE1-CZ 3.28Å; E723-R748 IonicContact OE1-NH1 2.73Å; E723-R748 PolarHBondContact OE1-NH1 2.87Å; E723-R748 IonicContact OE1-NH2 3.15Å; E723-R748 PolarHBondContact OE1-NH2 2.87Å; E723-R748 IonicContact OE2-CZ 2.73Å; E723-R748 IonicContact OE2-NH1 2.71Å; E723-R748 PolarHBondContact OE2-NH1 2.92Å; R748-P765 HydrophobicContact CB-CB 4.19Å; R748-T766 WeakPolarHBondContact CA-O 3.4Å; R748-E767 VanDerWaalsContact CD-OE1 3.29Å; R748-E767 WeakPolarHBondContact CD-OE1 3.47Å; R748-E767 HydrophobicContact CG-CG 4Å; R748-E767 IonicContact CZ-OE1 3.85Å; R748-E767 IonicContact NE-OE1 3.55Å; R748-E767 PolarHBondContact NE-OE1 2.77Å |
| 749 | F | 96.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.7 | -178.6 | -62.3 | -79.1 | 0 | 0 | 0 | 111.2 | P685 L698 E717 M718 V738 L741 Y747 P765 T766 I768 | P685-F749 HydrophobicContact CG-CB 3.83Å; P685-F749 WeakPolarHBondContact CG-O 3.38Å; L698-F749 HydrophobicContact CD1-CB 4.01Å; L698-F749 HydrophobicContact CD1-CD1 3.57Å; L698-F749 HydrophobicContact CD1-CD2 4.39Å; L698-F749 HydrophobicContact CD1-CE1 4.08Å; L698-F749 HydrophobicContact CD1-CG 3.73Å; L698-F749 HydrophobicContact CD2-CB 4.43Å; L698-F749 HydrophobicContact CD2-CD2 4.14Å; L698-F749 HydrophobicContact CD2-CG 4.19Å; E717-F749 WeakPolarHBondContact O-CA 3.5Å; M718-F749 HydrophobicContact CB-CD1 3.92Å; M718-F749 HydrophobicContact CB-CE1 3.67Å; M718-F749 HydrophobicContact CG-CD1 4.09Å; M718-F749 HydrophobicContact CG-CE1 3.49Å; M718-F749 VanDerWaalsContact CG-CE1 3.49Å; M718-F749 HydrophobicContact CG-CZ 4.03Å; M718-F749 HydrophobicContact SD-CE1 3.84Å; M718-F749 HydrophobicContact SD-CZ 4.11Å; V738-F749 HydrophobicContact CB-CE1 4.28Å; V738-F749 HydrophobicContact CG1-CE1 4.17Å; V738-F749 HydrophobicContact CG2-CE1 3.98Å; L741-F749 HydrophobicContact CD1-CZ 4.39Å; Y747-F749 HydrophobicContact CG-CZ 4.36Å; F749-P765 CarbonylContact O-C 3.55Å; F749-P765 WeakPolarHBondContact O-CA 3.42Å; F749-T766 PolarHBondContact N-O 2.93Å; F749-T766 PolarHBondContact O-N 2.96Å; F749-I768 HydrophobicContact CD2-CB 4.18Å; F749-I768 HydrophobicContact CD2-CD1 3.91Å; F749-I768 HydrophobicContact CD2-CG1 4.22Å; F749-I768 HydrophobicContact CE2-CB 4.12Å; F749-I768 HydrophobicContact CE2-CD1 4.38Å |
| 750 | R | 96.1 | Very high | 90.4 | Very high | 75 Ų | 75 | 44 Ų | 44 | 28% | 0.283 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 146 | 175.2 | 66.2 | -178.5 | -173.1 | -163.6 | -2.2 | 111 | V716 E717 Y762 | V716-R750 WeakPolarHBondContact CA-O 3.21Å; E717-R750 HydrophobicContact CB-CG 4.06Å; E717-R750 PolarHBondContact N-O 3.5Å; E717-R750 PolarHBondContact O-N 2.87Å; E717-R750 IonicContact OE2-CZ 2.73Å; E717-R750 IonicContact OE2-NE 3.79Å; E717-R750 PolarHBondContact OE2-NE 3.07Å; E717-R750 IonicContact OE2-NH2 3.74Å; E717-R750 PolarHBondContact OE2-NH2 2.91Å; R750-Y762 HydrophobicContact CB-CD1 4.42Å; R750-Y762 HydrophobicContact CG-CD1 3.77Å; R750-Y762 HydrophobicContact CG-CE1 4.41Å; R750-Y762 HydrophobicContact CG-CG 4.03Å |
| 751 | V | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.6 | -175.7 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | C682 P685 W700 Y714 S715 V716 S763 | C682-V751 HydrophobicContact CB-CG1 3.7Å; P685-V751 HydrophobicContact CB-CG1 4.45Å; W700-V751 HydrophobicContact CB-CG1 3.91Å; W700-V751 HydrophobicContact CD2-CG1 4.45Å; W700-V751 HydrophobicContact CD2-CG2 3.99Å; W700-V751 HydrophobicContact CG-CG1 4.01Å; W700-V751 HydrophobicContact CG-CG2 4.07Å; Y714-V751 HydrophobicContact CD1-CG2 4.42Å; S715-V751 WeakPolarHBondContact O-CA 3.13Å; V716-V751 HydrophobicContact CG2-CB 4.05Å; V716-V751 HydrophobicContact CG2-CG2 3.69Å; V751-S763 PolarHBondContact N-OG 3.19Å; V751-S763 VanDerWaalsContact N-OG 3.08Å; V751-S763 PolarHBondContact O-N 3.23Å |
| 752 | R | 94.3 | Very high | 90.6 | Very high | 53 Ų | 53 | 42.4 Ų | 42.4 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 160 | 170.9 | 65.6 | -178.5 | 172.8 | -176.3 | -4.8 | 110.5 | Y714 S715 Y759 Y762 | Y714-R752 WeakPolarHBondContact CA-O 3.3Å; S715-R752 PolarHBondContact N-O 3.14Å; S715-R752 PolarHBondContact O-N 2.95Å; S715-R752 PolarHBondContact OG-NE 3.01Å; S715-R752 PolarHBondContact OG-NH2 3.04Å; S715-R752 VanDerWaalsContact OG-NH2 3.12Å; R752-Y759 HydrophobicContact CG-CD1 4.04Å; R752-Y762 HydrophobicContact CB-CD1 3.7Å; R752-Y762 HydrophobicContact CB-CE1 4.01Å; R752-Y762 HydrophobicContact CB-CG 4.12Å; R752-Y762 VanDerWaalsContact CD-CZ 3.46Å; R752-Y762 HydrophobicContact CG-CD1 3.8Å; R752-Y762 HydrophobicContact CG-CE1 3.54Å; R752-Y762 HydrophobicContact CG-CG 4.48Å; R752-Y762 PolarHBondContact NE-OH 2.84Å; R752-Y762 VanDerWaalsContact NE-OH 3.12Å; R752-Y762 PolarHBondContact NH1-OH 3.09Å; R752-Y762 PolarHBondContact NH2-OH 3.15Å; R752-Y762 VanDerWaalsContact NH2-OH 3.16Å |
| 753 | A | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 155.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P679 P703 V711 E713 Y714 G760 | P679-A753 HydrophobicContact CB-CB 3.76Å; P679-A753 HydrophobicContact CG-CB 3.79Å; P703-A753 HydrophobicContact CG-CB 3.79Å; V711-A753 HydrophobicContact CG1-CB 3.75Å; V711-A753 HydrophobicContact CG2-CB 3.89Å; E713-A753 CarbonylContact O-C 3.54Å; Y714-A753 HydrophobicContact CD1-CB 3.87Å; Y714-A753 HydrophobicContact CE1-CB 3.78Å; A753-G760 PolarHBondContact O-N 2.81Å |
| 754 | L | 91.1 | Very high | 91.1 | Very high | 27 Ų | 27 | 43.6 Ų | 43.6 | 14% | 0.141 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.7 | 178.1 | 175.8 | 58.8 | 0 | 0 | 0 | 110.5 | V711 S712 E713 Y759 | V711-L754 WeakPolarHBondContact CA-O 3.48Å; V711-L754 WeakPolarHBondContact CG1-O 3.28Å; S712-L754 PolarHBondContact N-O 2.62Å; S712-L754 PolarHBondContact OG-O 2.86Å; E713-L754 HydrophobicContact CB-CB 4.29Å; E713-L754 HydrophobicContact CB-CD2 4.34Å; E713-L754 PolarHBondContact O-N 3.23Å; E713-L754 WeakPolarHBondContact OE2-CD2 3.32Å; L754-Y759 HydrophobicContact CB-CD1 3.9Å; L754-Y759 HydrophobicContact CB-CE1 3.88Å; L754-Y759 HydrophobicContact CD1-CD1 4.18Å; L754-Y759 HydrophobicContact CD1-CD2 4.22Å; L754-Y759 HydrophobicContact CD1-CE1 4.34Å; L754-Y759 HydrophobicContact CD1-CE2 4.36Å; L754-Y759 HydrophobicContact CD1-CG 4.12Å; L754-Y759 HydrophobicContact CD2-CE1 3.96Å; L754-Y759 HydrophobicContact CD2-CE2 4.4Å; L754-Y759 HydrophobicContact CG-CD1 4.44Å; L754-Y759 HydrophobicContact CG-CE1 4.29Å |
| 755 | N | 88.7 | Confident | 91.4 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | -171.3 | 166.7 | 72.1 | 6.9 | 0 | 0 | 0 | 111.4 | V677 P679 C709 P710 G757 G758 | V677-N755 PolarHBondContact O-ND2 2.99Å; V677-N755 PolarHBondContact O-OD1 2.82Å; P679-N755 HydrophobicContact CG-CB 4.14Å; C709-N755 HydrophobicContact CB-CB 4.34Å; C709-N755 PolarHBondContact O-ND2 2.9Å; P710-N755 WeakPolarHBondContact O-CB 3.43Å; N755-G757 PolarHBondContact O-N 2.85Å; N755-G757 WeakPolarHBondContact OD1-CA 3.42Å; N755-G757 PolarHBondContact OD1-N 2.85Å; N755-G758 PolarHBondContact N-O 2.78Å; N755-G758 PolarHBondContact O-N 2.85Å |
| 756 | D | 82.8 | Confident | 91.6 | Very high | 107 Ų | 107 | 45.7 Ų | 45.7 | 57% | 0.572 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.7 | -24.6 | 172.6 | -78.4 | 3.7 | 0 | 0 | 0 | 115 | R673 S676 C709 | R673-D756 IonicContact CZ-OD2 3.33Å; R673-D756 IonicContact NH1-OD2 3.38Å; R673-D756 IonicContact NH2-OD2 2.72Å; R673-D756 PolarHBondContact NH2-OD2 2.97Å; S676-D756 VanDerWaalsContact OG-CB 3.23Å; S676-D756 WeakPolarHBondContact OG-CB 3.3Å; C709-D756 HydrophobicContact CB-CB 4.34Å |
| 757 | G | 79.8 | Confident | 91.7 | Very high | 34 Ų | 34 | 48.8 Ų | 48.8 | 35% | 0.351 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -0.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | N755 | N755-G757 PolarHBondContact O-N 2.85Å; N755-G757 WeakPolarHBondContact OD1-CA 3.42Å; N755-G757 PolarHBondContact OD1-N 2.85Å |
| 758 | G | 84.9 | Confident | 91.7 | Very high | 28 Ų | 28 | 49 Ų | 49 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.3 | -172.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P679 N755 | P679-G758 WeakPolarHBondContact CD-O 3.4Å; N755-G758 PolarHBondContact N-O 2.78Å; N755-G758 PolarHBondContact O-N 2.85Å |
| 759 | Y | 88.8 | Confident | 91.5 | Very high | 96 Ų | 96 | 48.7 Ų | 48.7 | 38% | 0.376 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 132.2 | 178.5 | -74.9 | -74.4 | 0 | 0 | 0 | 111.6 | A678 H730 R752 L754 | A678-Y759 WeakPolarHBondContact CB-O 3.28Å; H730-Y759 PolarHBondContact CE1-OH 2.76Å; R752-Y759 HydrophobicContact CG-CD1 4.04Å; L754-Y759 HydrophobicContact CB-CD1 3.9Å; L754-Y759 HydrophobicContact CB-CE1 3.88Å; L754-Y759 HydrophobicContact CD1-CD1 4.18Å; L754-Y759 HydrophobicContact CD1-CD2 4.22Å; L754-Y759 HydrophobicContact CD1-CE1 4.34Å; L754-Y759 HydrophobicContact CD1-CE2 4.36Å; L754-Y759 HydrophobicContact CD1-CG 4.12Å; L754-Y759 HydrophobicContact CD2-CE1 3.96Å; L754-Y759 HydrophobicContact CD2-CE2 4.4Å; L754-Y759 HydrophobicContact CG-CD1 4.44Å; L754-Y759 HydrophobicContact CG-CE1 4.29Å |
| 760 | G | 89.4 | Confident | 91.2 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 7% | 0.072 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 170.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P679 A753 | P679-G760 WeakPolarHBondContact O-CA 3.37Å; A753-G760 PolarHBondContact O-N 2.81Å |
| 761 | P | 91.2 | Very high | 90.8 | Very high | 75 Ų | 75 | 47 Ų | 47 | 49% | 0.487 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 154.2 | 168 | 29.8 | -33.9 | 0 | 0 | 0 | 110.6 | P679 P681 | P679-P761 WeakPolarHBondContact O-CD 3.45Å; P681-P761 HydrophobicContact CB-CG 3.97Å; P681-P761 HydrophobicContact CG-CG 4.34Å |
| 762 | Y | 93.5 | Very high | 90.4 | Very high | 48 Ų | 48 | 48.5 Ų | 48.5 | 19% | 0.188 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 153.3 | 166.9 | -70 | -78.7 | 0 | 0 | 0 | 111 | E717 R750 R752 | E717-Y762 HydrophobicContact CB-CE1 4.35Å; E717-Y762 HydrophobicContact CG-CE1 3.94Å; E717-Y762 WeakPolarHBondContact CG-OH 3.4Å; E717-Y762 PolarHBondContact OE1-OH 3.05Å; E717-Y762 VanDerWaalsContact OE2-CZ 3.27Å; E717-Y762 PolarHBondContact OE2-OH 2.94Å; R750-Y762 HydrophobicContact CB-CD1 4.42Å; R750-Y762 HydrophobicContact CG-CD1 3.77Å; R750-Y762 HydrophobicContact CG-CE1 4.41Å; R750-Y762 HydrophobicContact CG-CG 4.03Å; R752-Y762 HydrophobicContact CB-CD1 3.7Å; R752-Y762 HydrophobicContact CB-CE1 4.01Å; R752-Y762 HydrophobicContact CB-CG 4.12Å; R752-Y762 VanDerWaalsContact CD-CZ 3.46Å; R752-Y762 HydrophobicContact CG-CD1 3.8Å; R752-Y762 HydrophobicContact CG-CE1 3.54Å; R752-Y762 HydrophobicContact CG-CG 4.48Å; R752-Y762 PolarHBondContact NE-OH 2.84Å; R752-Y762 VanDerWaalsContact NE-OH 3.12Å; R752-Y762 PolarHBondContact NH1-OH 3.09Å; R752-Y762 PolarHBondContact NH2-OH 3.15Å; R752-Y762 VanDerWaalsContact NH2-OH 3.16Å |
| 763 | S | 95.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 163.7 | 162.5 | 70.1 | 0 | 0 | 0 | 0 | 111.5 | C682 V751 | C682-S763 WeakPolarHBondContact O-CB 3.35Å; V751-S763 PolarHBondContact N-OG 3.19Å; V751-S763 VanDerWaalsContact N-OG 3.08Å; V751-S763 PolarHBondContact O-N 3.23Å |
| 764 | E | 93 | Very high | 89.8 | Confident | 148 Ų | 148 | 48.1 Ų | 48.1 | 69% | 0.692 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 148.3 | 155.9 | -59.9 | -58.5 | 148.7 | 0 | 0 | 109.7 | P684 | P684-E764 WeakPolarHBondContact CB-O 3.48Å; P684-E764 HydrophobicContact CG-CB 4.01Å |
| 765 | P | 93.3 | Very high | 89.8 | Confident | 68 Ų | 68 | 47 Ų | 47 | 44% | 0.442 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 136.2 | -179.4 | 29.6 | -33.7 | 0 | 0 | 0 | 111.9 | R748 F749 | R748-P765 HydrophobicContact CB-CB 4.19Å; F749-P765 CarbonylContact O-C 3.55Å; F749-P765 WeakPolarHBondContact O-CA 3.42Å |
| 766 | T | 94.9 | Very high | 89.6 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.7 | 164.8 | -51.8 | 0 | 0 | 0 | 0 | 109.1 | P684 P685 R748 F749 I768 | P684-T766 VanDerWaalsContact CB-OG1 3.25Å; P684-T766 WeakPolarHBondContact CB-OG1 3.37Å; P685-T766 WeakPolarHBondContact CD-OG1 2.94Å; P685-T766 VanDerWaalsContact O-CB 3.29Å; P685-T766 WeakPolarHBondContact O-CB 3.24Å; P685-T766 WeakPolarHBondContact O-CG2 3.42Å; P685-T766 PolarHBondContact O-OG1 2.87Å; R748-T766 WeakPolarHBondContact CA-O 3.4Å; F749-T766 PolarHBondContact N-O 2.93Å; F749-T766 PolarHBondContact O-N 2.96Å; T766-I768 HydrophobicContact CG2-CD1 4.13Å; T766-I768 HydrophobicContact CG2-CG1 3.81Å |
| 767 | E | 94.8 | Very high | 90 | Very high | 125 Ų | 125 | 47.4 Ų | 47.4 | 58% | 0.584 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 128.1 | 168.3 | -58.2 | -163.1 | 135.1 | 0 | 0 | 109.9 | T746 Y747 R748 | T746-E767 HydrophobicContact CG2-CB 4.19Å; Y747-E767 WeakPolarHBondContact O-CA 3.18Å; R748-E767 VanDerWaalsContact CD-OE1 3.29Å; R748-E767 WeakPolarHBondContact CD-OE1 3.47Å; R748-E767 HydrophobicContact CG-CG 4Å; R748-E767 IonicContact CZ-OE1 3.85Å; R748-E767 IonicContact NE-OE1 3.55Å; R748-E767 PolarHBondContact NE-OE1 2.77Å |
| 768 | I | 92.6 | Very high | 90.5 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 7% | 0.072 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 121.2 | 179.4 | -59.4 | 177.5 | 0 | 0 | 0 | 108.6 | I687 V696 L698 Y747 F749 T766 | I687-I768 HydrophobicContact CB-CD1 4.23Å; I687-I768 HydrophobicContact CD1-CG2 3.96Å; V696-I768 HydrophobicContact CG1-CD1 4.06Å; V696-I768 HydrophobicContact CG1-CG2 4.07Å; V696-I768 HydrophobicContact CG2-CG2 3.98Å; L698-I768 HydrophobicContact CD2-CD1 3.49Å; L698-I768 VanDerWaalsContact CD2-CD1 3.49Å; Y747-I768 PolarHBondContact N-O 2.85Å; Y747-I768 PolarHBondContact O-N 3.31Å; F749-I768 HydrophobicContact CD2-CB 4.18Å; F749-I768 HydrophobicContact CD2-CD1 3.91Å; F749-I768 HydrophobicContact CD2-CG1 4.22Å; F749-I768 HydrophobicContact CE2-CB 4.12Å; F749-I768 HydrophobicContact CE2-CD1 4.38Å; T766-I768 HydrophobicContact CG2-CD1 4.13Å; T766-I768 HydrophobicContact CG2-CG1 3.81Å |
| 769 | T | 91.4 | Very high | 90.8 | Very high | 68 Ų | 68 | 52.4 Ų | 52.4 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 130.1 | 168.8 | -43.2 | 0 | 0 | 0 | 0 | 109.4 | G744 T745 T746 | G744-T769 WeakPolarHBondContact O-CG2 3.24Å; T745-T769 WeakPolarHBondContact O-CA 3.49Å; T746-T769 PolarHBondContact OG1-OG1 3.32Å |
| 770 | T | 90.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 157.5 | 168.4 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | K692 V696 L741 L742 P743 G744 T745 Y747 | K692-T770 WeakPolarHBondContact O-CB 3.46Å; V696-T770 HydrophobicContact CG2-CG2 4.11Å; L741-T770 HydrophobicContact CB-CG2 3.71Å; L741-T770 HydrophobicContact CD1-CG2 3.77Å; L741-T770 HydrophobicContact CG-CG2 4.4Å; L742-T770 WeakPolarHBondContact O-CB 3.3Å; L742-T770 PolarHBondContact O-OG1 2.64Å; P743-T770 VanDerWaalsContact C-OG1 3.31Å; G744-T770 WeakPolarHBondContact CA-O 3.23Å; G744-T770 PolarHBondContact N-OG1 2.82Å; T745-T770 PolarHBondContact N-OG1 3.23Å; T745-T770 PolarHBondContact O-N 2.94Å; T745-T770 PolarHBondContact O-OG1 2.85Å; Y747-T770 HydrophobicContact CD2-CG2 4.34Å; Y747-T770 HydrophobicContact CE2-CG2 4.24Å |
| 771 | A | 87.8 | Confident | 91 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 154.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P691 K692 H693 G744 | P691-A771 WeakPolarHBondContact O-CB 3.32Å; K692-A771 PolarHBondContact O-N 2.72Å; H693-A771 VanDerWaalsContact CA-O 3.28Å; H693-A771 WeakPolarHBondContact CA-O 3.46Å; H693-A771 WeakPolarHBondContact CB-O 3.39Å; G744-A771 PolarHBondContact N-O 3.35Å |
| 772 | A | 87.8 | Confident | 91.1 | Very high | 32 Ų | 32 | 51 Ų | 51 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 142.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | S801 A803 A851 | A772-S801 CarbonylContact C-O 3.53Å; A772-S801 WeakPolarHBondContact CA-O 3.32Å; A772-A803 HydrophobicContact CB-CB 3.56Å; A772-A851 HydrophobicContact CB-CB 4.26Å; A772-A851 VanDerWaalsContact O-CB 3.3Å; A772-A851 WeakPolarHBondContact O-CB 3.31Å |
| 773 | G | 86.6 | Confident | 91.1 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 166.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S801 N849 A851 | G773-S801 PolarHBondContact N-O 3.38Å; G773-S801 VanDerWaalsContact O-CB 3.27Å; G773-S801 WeakPolarHBondContact O-CB 3.25Å; G773-N849 PolarHBondContact O-ND2 3.08Å; G773-N849 PolarHBondContact O-OD1 2.88Å; G773-A851 VanDerWaalsContact C-CB 3.47Å |
| 774 | P | 87.8 | Confident | 90.9 | Very high | 43 Ų | 43 | 52.7 Ų | 52.7 | 28% | 0.279 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 153.4 | 164.3 | -20.3 | 32.5 | 0 | 0 | 0 | 110.8 | S801 A853 | P774-S801 WeakPolarHBondContact O-CB 3.38Å; P774-S801 PolarHBondContact O-OG 2.83Å; P774-A853 WeakPolarHBondContact CB-O 3.26Å |
| 775 | P | 89.9 | Confident | 90.7 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 159.5 | -177.9 | -26.5 | 37.4 | 0 | 0 | 0 | 113.7 | P798 I805 A847 N849 G852 G854 | P775-P798 HydrophobicContact CB-CG 4.4Å; P775-I805 HydrophobicContact CB-CG1 4.43Å; P775-I805 HydrophobicContact CG-CG1 4.19Å; P775-A847 HydrophobicContact CB-CB 3.86Å; P775-A847 HydrophobicContact CG-CB 4.07Å; P775-N849 HydrophobicContact CG-CB 3.94Å; P775-G852 WeakPolarHBondContact CD-O 3.48Å; P775-G854 WeakPolarHBondContact O-CA 3.33Å |
| 776 | G | 86.3 | Confident | 90.3 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 161.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C778 E799 | G776-C778 PolarHBondContact O-N 3.39Å; G776-E799 PolarHBondContact N-O 2.84Å |
| 777 | Q | 90 | Very high | 89.9 | Confident | 97 Ų | 97 | 51.7 Ų | 51.7 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 130.8 | 174 | -162.7 | -173.8 | -0.3 | 0 | 0 | 109.5 | P855 Y856 D858 | Q777-P855 HydrophobicContact CB-CG 3.83Å; Q777-P855 HydrophobicContact CG-CB 4.39Å; Q777-P855 HydrophobicContact CG-CG 4.03Å; Q777-Y856 WeakPolarHBondContact CG-O 3.41Å; Q777-Y856 PolarHBondContact NE2-O 3.33Å; Q777-D858 PolarHBondContact NE2-OD1 2.86Å |
| 778 | C | 90.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.02 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 142.3 | 173 | -71.2 | 0 | 0 | 0 | 0 | 110.3 | G776 L845 A847 S857 | G776-C778 PolarHBondContact O-N 3.39Å; C778-L845 HydrophobicContact CB-CB 4.34Å; C778-L845 HydrophobicContact CB-CD2 3.96Å; C778-L845 HydrophobicContact CB-CG 4.27Å; C778-L845 WeakPolarHBondContact CB-O 3.31Å; C778-A847 PolarHBondContact SG-N 2.85Å; C778-A847 VanDerWaalsContact SG-N 3.41Å; C778-S857 WeakPolarHBondContact O-CA 3.49Å; C778-S857 VanDerWaalsContact O-CB 3.24Å; C778-S857 WeakPolarHBondContact O-CB 3.33Å |
| 779 | R | 90.4 | Very high | 89 | Confident | 165 Ų | 165 | 50.7 Ų | 50.7 | 62% | 0.623 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 148.6 | 164.1 | -73.1 | 178.4 | 175.8 | 173.2 | 1.5 | 109.2 | E796 | R779-E796 VanDerWaalsContact CD-OE2 3.24Å; R779-E796 WeakPolarHBondContact CD-OE2 3.39Å; R779-E796 IonicContact CZ-OE2 2.62Å; R779-E796 IonicContact NE-OE2 2.68Å; R779-E796 IonicContact NH1-OE1 2.78Å; R779-E796 IonicContact NH1-OE2 2.99Å; R779-E796 PolarHBondContact NH1-OE2 2.84Å |
| 780 | P | 90.4 | Very high | 88.8 | Confident | 65 Ų | 65 | 48.1 Ų | 48.1 | 42% | 0.422 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 126.2 | 174.6 | -23.6 | 33.7 | 0 | 0 | 0 | 110.3 | D858 V860 | P780-D858 HydrophobicContact CG-CB 4.26Å; P780-V860 HydrophobicContact CB-CG2 3.47Å; P780-V860 VanDerWaalsContact CB-CG2 3.47Å |
| 781 | P | 92.9 | Very high | 89 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 141.2 | -175.6 | 22.3 | -33.8 | 0 | 0 | 0 | 112.5 | V793 S794 L845 V860 | P781-V793 HydrophobicContact CB-CG1 3.7Å; P781-V793 HydrophobicContact CG-CG1 4.3Å; P781-S794 CarbonylContact C-O 3.58Å; P781-S794 WeakPolarHBondContact CA-O 3.47Å; P781-L845 HydrophobicContact CG-CB 4.45Å; P781-V860 HydrophobicContact CG-CB 4.5Å; P781-V860 HydrophobicContact CG-CG2 4.03Å |
| 782 | S | 92.5 | Very high | 89.3 | Confident | 78 Ų | 78 | 48.6 Ų | 48.6 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 121.1 | 176.3 | -68.9 | 0 | 0 | 0 | 0 | 110.5 | S794 | S782-S794 PolarHBondContact N-O 2.89Å; S782-S794 PolarHBondContact O-N 2.78Å; S782-S794 PolarHBondContact O-OG 2.68Å |
| 783 | L | 93.3 | Very high | 89.6 | Confident | 42 Ų | 42 | 47 Ų | 47 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.6 | -179 | -59.7 | -180 | 0 | 0 | 0 | 111.2 | V791 V793 W812 V860 C862 | L783-V791 HydrophobicContact CB-CG1 4.18Å; L783-V791 HydrophobicContact CD2-CG1 4.08Å; L783-V793 HydrophobicContact CD2-CB 4.09Å; L783-V793 HydrophobicContact CD2-CG1 3.85Å; L783-V793 HydrophobicContact CD2-CG2 3.7Å; L783-W812 HydrophobicContact CD2-CZ3 4.26Å; L783-V860 HydrophobicContact CD1-CG1 3.52Å; L783-V860 HydrophobicContact CG-CG1 4.02Å; L783-C862 HydrophobicContact CD1-CB 3.55Å |
| 784 | S | 91.2 | Very high | 90 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 33% | 0.329 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 114.5 | 174.9 | 51.1 | 0 | 0 | 0 | 0 | 110.2 | L786 L792 | S784-L786 PolarHBondContact O-N 3.08Å; S784-L792 PolarHBondContact N-O 2.79Å; S784-L792 PolarHBondContact O-N 2.83Å; S784-L792 WeakPolarHBondContact OG-CB 3.24Å; S784-L792 PolarHBondContact OG-O 2.82Å |
| 785 | F | 88.4 | Confident | 90.3 | Very high | 99 Ų | 99 | 47.7 Ų | 47.7 | 43% | 0.434 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 119.2 | 178.3 | -53 | -83 | 0 | 0 | 0 | 109.3 | V791 C862 K863 L864 | F785-V791 HydrophobicContact CD1-CG2 3.76Å; F785-V791 HydrophobicContact CE1-CG2 4.17Å; F785-C862 HydrophobicContact CE1-CB 4.36Å; F785-C862 HydrophobicContact CZ-CB 4.15Å; F785-K863 VanDerWaalsContact CE1-O 3.32Å; F785-K863 WeakPolarHBondContact CE1-O 3.37Å; F785-K863 WeakPolarHBondContact CZ-O 3.45Å; F785-L864 HydrophobicContact CD1-CG 4.24Å; F785-L864 HydrophobicContact CE1-CG 4.35Å |
| 786 | L | 86.9 | Confident | 90.4 | Very high | 91 Ų | 91 | 53 Ų | 53 | 48% | 0.476 | 29% | 0.286 | S | S | . | . | trans | -90.9 | -31.6 | 175.2 | -63.8 | -178.5 | 0 | 0 | 0 | 110.9 | S784 S790 L792 E831 | S784-L786 PolarHBondContact O-N 3.08Å; L786-S790 PolarHBondContact N-O 2.83Å; L786-L792 HydrophobicContact CD1-CB 3.85Å; L786-L792 HydrophobicContact CD2-CB 4.32Å; L786-L792 HydrophobicContact CG-CB 3.97Å; L786-E831 VanDerWaalsContact CD1-CD 3.46Å; L786-E831 HydrophobicContact CD1-CG 3.97Å; L786-E831 WeakPolarHBondContact CD1-OE1 3.29Å | ||
| 787 | S | 85.1 | Confident | 90.4 | Very high | 40 Ų | 40 | 55.2 Ų | 55.2 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -149.1 | -167.5 | 172.8 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | T789 S790 | S787-T789 PolarHBondContact OG-N 2.94Å; S787-T789 PolarHBondContact OG-OG1 3.25Å; S787-S790 PolarHBondContact N-O 3.16Å; S787-S790 PolarHBondContact OG-N 3.22Å; S787-S790 PolarHBondContact OG-OG 3.47Å |
| 788 | D | 82 | Confident | 90.4 | Very high | 56 Ų | 56 | 51.3 Ų | 51.3 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -74 | -6 | 164.6 | 56.4 | -3.9 | 0 | 0 | 0 | 114.3 | A837 L864 P865 S867 | D788-A837 HydrophobicContact CB-CB 4.27Å; D788-A837 VanDerWaalsContact O-CA 3.32Å; D788-A837 WeakPolarHBondContact O-CA 3.29Å; D788-L864 VanDerWaalsContact O-CD2 3.3Å; D788-L864 WeakPolarHBondContact O-CD2 3.39Å; D788-P865 HydrophobicContact CB-CG 4.46Å; D788-S867 WeakPolarHBondContact OD2-CB 3.38Å |
| 789 | T | 86.2 | Confident | 90 | Very high | 62 Ų | 62 | 59.3 Ų | 59.3 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -137.3 | -2.5 | -169.7 | 44 | 0 | 0 | 0 | 0 | 113.3 | S787 S833 E834 L835 | S787-T789 PolarHBondContact OG-N 2.94Å; S787-T789 PolarHBondContact OG-OG1 3.25Å; T789-S833 CarbonylContact O-C 3.5Å; T789-E834 PolarHBondContact O-N 3.27Å; T789-E834 VanDerWaalsContact O-N 3.11Å; T789-L835 WeakPolarHBondContact CA-O 3.27Å; T789-L835 WeakPolarHBondContact CG2-O 3.49Å; T789-L835 WeakPolarHBondContact O-CB 3.5Å; T789-L835 PolarHBondContact O-N 2.83Å |
| 790 | S | 88.5 | Confident | 89.4 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | trans | -145.6 | 146.4 | 173.5 | 75 | 0 | 0 | 0 | 0 | 115 | L786 S787 E831 I832 | L786-S790 PolarHBondContact N-O 2.83Å; S787-S790 PolarHBondContact N-O 3.16Å; S787-S790 PolarHBondContact OG-N 3.22Å; S787-S790 PolarHBondContact OG-OG 3.47Å; S790-E831 PolarHBondContact OG-OE1 2.88Å; S790-I832 CarbonylContact C-O 3.55Å; S790-I832 WeakPolarHBondContact CA-O 3.18Å; S790-I832 VanDerWaalsContact CB-O 3.24Å; S790-I832 WeakPolarHBondContact CB-O 3.47Å | ||
| 791 | V | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127.2 | -178.3 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | L783 F785 W812 I832 L835 L864 | L783-V791 HydrophobicContact CB-CG1 4.18Å; L783-V791 HydrophobicContact CD2-CG1 4.08Å; F785-V791 HydrophobicContact CD1-CG2 3.76Å; F785-V791 HydrophobicContact CE1-CG2 4.17Å; V791-W812 HydrophobicContact CB-CH2 4.22Å; V791-W812 HydrophobicContact CG1-CH2 4.34Å; V791-W812 HydrophobicContact CG2-CH2 4.28Å; V791-I832 PolarHBondContact N-O 2.98Å; V791-I832 PolarHBondContact O-N 2.9Å; V791-L835 HydrophobicContact CB-CD1 4.25Å; V791-L835 HydrophobicContact CG2-CD1 3.89Å; V791-L864 HydrophobicContact CG2-CD1 3.98Å; V791-L864 HydrophobicContact CG2-CD2 4.21Å; V791-L864 HydrophobicContact CG2-CG 4.02Å |
| 792 | L | 94.4 | Very high | 88.3 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 26% | 0.262 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 113.8 | 167.9 | 174.4 | 64.5 | 0 | 0 | 0 | 109.4 | S784 L786 C829 E831 | S784-L792 PolarHBondContact N-O 2.79Å; S784-L792 PolarHBondContact O-N 2.83Å; S784-L792 WeakPolarHBondContact OG-CB 3.24Å; S784-L792 PolarHBondContact OG-O 2.82Å; L786-L792 HydrophobicContact CD1-CB 3.85Å; L786-L792 HydrophobicContact CD2-CB 4.32Å; L786-L792 HydrophobicContact CG-CB 3.97Å; L792-C829 HydrophobicContact CD1-CB 4.05Å; L792-E831 HydrophobicContact CD1-CB 4.35Å |
| 793 | V | 95 | Very high | 87.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 134.7 | 173.1 | -169.6 | 0 | 0 | 0 | 0 | 108.3 | P781 L783 W795 L810 W812 C829 F830 I832 | P781-V793 HydrophobicContact CB-CG1 3.7Å; P781-V793 HydrophobicContact CG-CG1 4.3Å; L783-V793 HydrophobicContact CD2-CB 4.09Å; L783-V793 HydrophobicContact CD2-CG1 3.85Å; L783-V793 HydrophobicContact CD2-CG2 3.7Å; V793-W795 HydrophobicContact CB-CZ3 4.2Å; V793-W795 HydrophobicContact CG1-CE3 4.04Å; V793-W795 HydrophobicContact CG1-CZ3 3.95Å; V793-L810 HydrophobicContact CB-CD2 4Å; V793-L810 HydrophobicContact CG1-CD1 3.98Å; V793-L810 HydrophobicContact CG1-CD2 3.87Å; V793-L810 HydrophobicContact CG2-CD2 4.12Å; V793-W812 HydrophobicContact CG2-CE3 4.33Å; V793-W812 HydrophobicContact CG2-CZ3 4.11Å; V793-C829 CarbonylContact O-C 3.6Å; V793-C829 WeakPolarHBondContact O-CA 3.15Å; V793-C829 VanDerWaalsContact O-CB 3.29Å; V793-C829 WeakPolarHBondContact O-CB 3.47Å; V793-F830 PolarHBondContact N-O 2.04Å; V793-F830 PolarHBondContact O-N 2.68Å; V793-I832 HydrophobicContact CG2-CD1 3.7Å; V793-I832 HydrophobicContact CG2-CG1 4.26Å |
| 794 | S | 94.1 | Very high | 87.6 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 148.8 | -178.1 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | P781 S782 | P781-S794 CarbonylContact C-O 3.58Å; P781-S794 WeakPolarHBondContact CA-O 3.47Å; S782-S794 PolarHBondContact N-O 2.89Å; S782-S794 PolarHBondContact O-N 2.78Å; S782-S794 PolarHBondContact O-OG 2.68Å |
| 795 | W | 95.1 | Very high | 87.5 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 8% | 0.076 | 32% | 0.316 | C | S | . | . | trans | -148.2 | 159.2 | -174.5 | 53.5 | 93.1 | 0 | 0 | 0 | 113.6 | V793 Y808 L810 D827 T828 F830 L845 | V793-W795 HydrophobicContact CB-CZ3 4.2Å; V793-W795 HydrophobicContact CG1-CE3 4.04Å; V793-W795 HydrophobicContact CG1-CZ3 3.95Å; W795-Y808 AromaticContact CD1-CD1 3.84Å; W795-Y808 AromaticContact CD1-CE1 3.87Å; W795-Y808 HydrophobicContact CZ2-CG 4.48Å; W795-Y808 AromaticContact NE1-CD1 3.47Å; W795-Y808 AromaticContact NE1-CD2 3.51Å; W795-Y808 AromaticContact NE1-CE1 3.85Å; W795-Y808 AromaticContact NE1-CE2 3.9Å; W795-Y808 AromaticContact NE1-CG 3.29Å; W795-Y808 VanDerWaalsContact NE1-CG 3.29Å; W795-L810 HydrophobicContact CH2-CD2 4.3Å; W795-L810 HydrophobicContact CZ3-CD2 3.99Å; W795-D827 WeakPolarHBondContact CZ2-O 3.47Å; W795-D827 PolarHBondContact NE1-O 2.73Å; W795-D827 VanDerWaalsContact NE1-O 3.16Å; W795-T828 PolarHBondContact N-O 3.01Å; W795-F830 HydrophobicContact CH2-CB 3.85Å; W795-F830 HydrophobicContact CZ3-CB 4.12Å; W795-L845 HydrophobicContact CB-CD2 3.4Å; W795-L845 HydrophobicContact CD2-CD1 3.93Å; W795-L845 HydrophobicContact CD2-CD2 3.64Å; W795-L845 HydrophobicContact CD2-CG 4.46Å; W795-L845 HydrophobicContact CE3-CD1 4.2Å; W795-L845 HydrophobicContact CE3-CD2 4.28Å; W795-L845 HydrophobicContact CG-CD1 4.4Å; W795-L845 HydrophobicContact CG-CD2 3.25Å; W795-L845 HydrophobicContact CG-CG 4.46Å; W795-L845 HydrophobicContact CH2-CD1 4.35Å; W795-L845 HydrophobicContact CZ2-CD1 4.08Å; W795-L845 HydrophobicContact CZ3-CD1 4.41Å | ||
| 796 | E | 91.1 | Very high | 87.6 | Confident | 114 Ų | 114 | 54 Ų | 54 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -97 | 154.7 | 171.7 | -62.4 | 179 | 133.5 | 0 | 0 | 110.1 | R779 P798 | R779-E796 VanDerWaalsContact CD-OE2 3.24Å; R779-E796 WeakPolarHBondContact CD-OE2 3.39Å; R779-E796 IonicContact CZ-OE2 2.62Å; R779-E796 IonicContact NE-OE2 2.68Å; R779-E796 IonicContact NH1-OE1 2.78Å; R779-E796 IonicContact NH1-OE2 2.99Å; R779-E796 PolarHBondContact NH1-OE2 2.84Å; E796-P798 WeakPolarHBondContact O-CD 3.26Å |
| 797 | S | 87.9 | Confident | 88 | Confident | 73 Ų | 73 | 51.8 Ų | 51.8 | 51% | 0.51 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 125.8 | 169.5 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | I805 Y808 | S797-I805 WeakPolarHBondContact OG-CD1 3.34Å; S797-Y808 WeakPolarHBondContact CA-OH 3.35Å; S797-Y808 WeakPolarHBondContact CB-OH 3.45Å; S797-Y808 PolarHBondContact OG-OH 2.68Å |
| 798 | P | 88.9 | Confident | 88.5 | Confident | 15 Ų | 15 | 50.5 Ų | 50.5 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 170.1 | 165.9 | 29.2 | -33.8 | 0 | 0 | 0 | 111.1 | P775 E796 C800 I805 A847 | P775-P798 HydrophobicContact CB-CG 4.4Å; E796-P798 WeakPolarHBondContact O-CD 3.26Å; P798-C800 PolarHBondContact O-N 2.87Å; P798-I805 HydrophobicContact CG-CD1 3.69Å; P798-A847 HydrophobicContact CG-CB 3.65Å |
| 799 | E | 81.9 | Confident | 89.1 | Confident | 171 Ų | 171 | 51.5 Ų | 51.5 | 80% | 0.799 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 129.8 | 176.7 | -65.9 | 178.5 | 174 | 0 | 0 | 111.1 | G776 S801 | G776-E799 PolarHBondContact N-O 2.84Å; E799-S801 PolarHBondContact O-N 2.76Å |
| 800 | C | 78.6 | Confident | 89.5 | Confident | 63 Ų | 63 | 48.5 Ų | 48.5 | 43% | 0.426 | 28% | 0.275 | S | S | . | . | trans | -75.6 | 113.2 | -179.9 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | P798 G802 | P798-C800 PolarHBondContact O-N 2.87Å; C800-G802 PolarHBondContact O-N 2.72Å | ||
| 801 | S | 82.9 | Confident | 89.9 | Confident | 23 Ų | 23 | 48.9 Ų | 48.9 | 16% | 0.161 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -70.9 | 51.4 | 174.8 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | P743 A772 G773 P774 E799 A803 | P743-S801 VanDerWaalsContact CB-O 3.25Å; P743-S801 WeakPolarHBondContact CB-O 3.25Å; A772-S801 CarbonylContact C-O 3.53Å; A772-S801 WeakPolarHBondContact CA-O 3.32Å; G773-S801 PolarHBondContact N-O 3.38Å; G773-S801 VanDerWaalsContact O-CB 3.27Å; G773-S801 WeakPolarHBondContact O-CB 3.25Å; P774-S801 WeakPolarHBondContact O-CB 3.38Å; P774-S801 PolarHBondContact O-OG 2.83Å; E799-S801 PolarHBondContact O-N 2.76Å; S801-A803 VanDerWaalsContact C-N 3.34Å; S801-A803 PolarHBondContact O-N 3.29Å |
| 802 | G | 77.4 | Confident | 89.9 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 80.5 | 5.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | C800 | C800-G802 PolarHBondContact O-N 2.72Š|
| 803 | A | 84.1 | Confident | 89.9 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 17% | 0.174 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -150.6 | 143.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A772 S801 N849 | A772-A803 HydrophobicContact CB-CB 3.56Å; S801-A803 VanDerWaalsContact C-N 3.34Å; S801-A803 PolarHBondContact O-N 3.29Å; A803-N849 PolarHBondContact O-ND2 2.9Å; A803-N849 VanDerWaalsContact O-ND2 3.14Å |
| 804 | D | 86.1 | Confident | 89.6 | Confident | 139 Ų | 139 | 53.4 Ų | 53.4 | 74% | 0.743 | 30% | 0.296 | S | S | * | . | trans | -62.6 | 146.6 | -178.4 | -58.5 | -44.6 | 0 | 0 | 0 | 112.6 | N849 | D804-N849 WeakPolarHBondContact O-CB 3.49Š| ||
| 805 | I | 90.6 | Very high | 89.3 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 17% | 0.169 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 128.4 | 179.4 | -60 | 172.8 | 0 | 0 | 0 | 109.7 | P775 S797 P798 Y808 A847 V848 | P775-I805 HydrophobicContact CB-CG1 4.43Å; P775-I805 HydrophobicContact CG-CG1 4.19Å; S797-I805 WeakPolarHBondContact OG-CD1 3.34Å; P798-I805 HydrophobicContact CG-CD1 3.69Å; I805-Y808 HydrophobicContact CD1-CE1 4.27Å; I805-Y808 HydrophobicContact CG2-CE1 4.14Å; I805-Y808 HydrophobicContact CG2-CE2 4.17Å; I805-A847 HydrophobicContact CD1-CB 4.08Å; I805-A847 HydrophobicContact CG1-CB 4.48Å; I805-A847 HydrophobicContact CG2-CB 4.07Å; I805-V848 CarbonylContact C-O 3.56Å; I805-V848 WeakPolarHBondContact CG2-O 3.42Å |
| 806 | S | 90.3 | Very high | 89 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 47% | 0.469 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -30.4 | -178.8 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | T826 V848 N849 | S806-T826 VanDerWaalsContact O-CG2 3.29Å; S806-T826 WeakPolarHBondContact O-CG2 3.4Å; S806-V848 PolarHBondContact N-O 3.04Å; S806-V848 PolarHBondContact OG-O 3.07Å; S806-V848 VanDerWaalsContact OG-O 3.11Å; S806-N849 WeakPolarHBondContact OG-CA 3.46Å |
| 807 | E | 93.6 | Very high | 88.8 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 156.7 | 174.7 | 60.3 | 179.1 | -154 | 0 | 0 | 111.8 | R809 N824 G825 V848 | E807-R809 IonicContact OE1-CZ 2.84Å; E807-R809 IonicContact OE1-NE 2.7Å; E807-R809 PolarHBondContact OE1-NE 3.42Å; E807-R809 IonicContact OE1-NH2 3.94Å; E807-R809 PolarHBondContact OE1-NH2 3.48Å; E807-N824 PolarHBondContact OE1-OD1 2.64Å; E807-N824 PolarHBondContact OE2-ND2 3.23Å; E807-N824 PolarHBondContact OE2-OD1 2.93Å; E807-G825 CarbonylContact C-O 3.54Å; E807-G825 VanDerWaalsContact CA-O 3.29Å; E807-G825 WeakPolarHBondContact CA-O 3.12Å; E807-V848 HydrophobicContact CG-CB 3.63Å; E807-V848 HydrophobicContact CG-CG1 4.18Å; E807-V848 HydrophobicContact CG-CG2 3.88Å; E807-V848 PolarHBondContact N-O 3.32Å; E807-V848 PolarHBondContact O-N 3.23Å |
| 808 | Y | 95.6 | Very high | 88.9 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 6% | 0.055 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 138.3 | 168.4 | -64.6 | -80.7 | 0 | 0 | 0 | 109.5 | W795 S797 I805 N824 G825 D827 Q846 A847 | W795-Y808 AromaticContact CD1-CD1 3.84Å; W795-Y808 AromaticContact CD1-CE1 3.87Å; W795-Y808 HydrophobicContact CZ2-CG 4.48Å; W795-Y808 AromaticContact NE1-CD1 3.47Å; W795-Y808 AromaticContact NE1-CD2 3.51Å; W795-Y808 AromaticContact NE1-CE1 3.85Å; W795-Y808 AromaticContact NE1-CE2 3.9Å; W795-Y808 AromaticContact NE1-CG 3.29Å; W795-Y808 VanDerWaalsContact NE1-CG 3.29Å; S797-Y808 WeakPolarHBondContact CA-OH 3.35Å; S797-Y808 WeakPolarHBondContact CB-OH 3.45Å; S797-Y808 PolarHBondContact OG-OH 2.68Å; I805-Y808 HydrophobicContact CD1-CE1 4.27Å; I805-Y808 HydrophobicContact CG2-CE1 4.14Å; I805-Y808 HydrophobicContact CG2-CE2 4.17Å; Y808-N824 VanDerWaalsContact O-CA 3.3Å; Y808-N824 WeakPolarHBondContact O-CA 3.44Å; Y808-N824 PolarHBondContact O-OD1 2.82Å; Y808-G825 PolarHBondContact N-O 2.93Å; Y808-G825 PolarHBondContact O-N 2.89Å; Y808-G825 VanDerWaalsContact O-N 3.16Å; Y808-D827 VanDerWaalsContact CD2-O 3.29Å; Y808-D827 WeakPolarHBondContact CD2-O 3.32Å; Y808-Q846 WeakPolarHBondContact CA-O 3.24Å; Y808-A847 HydrophobicContact CD1-CB 3.88Å; Y808-A847 HydrophobicContact CE1-CB 3.84Å |
| 809 | R | 95.2 | Very high | 89.1 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 29% | 0.287 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114.8 | 176.6 | -67.8 | 173.3 | -170.3 | 172 | 3.7 | 109.6 | E807 L821 H823 N824 L845 Q846 V848 | E807-R809 IonicContact OE1-CZ 2.84Å; E807-R809 IonicContact OE1-NE 2.7Å; E807-R809 PolarHBondContact OE1-NE 3.42Å; E807-R809 IonicContact OE1-NH2 3.94Å; E807-R809 PolarHBondContact OE1-NH2 3.48Å; R809-L821 HydrophobicContact CB-CD1 3.68Å; R809-L821 HydrophobicContact CG-CD1 4.13Å; R809-H823 WeakPolarHBondContact CA-O 3.35Å; R809-N824 HydrophobicContact CG-CB 4.36Å; R809-N824 WeakPolarHBondContact CG-OD1 3.06Å; R809-L845 WeakPolarHBondContact O-CA 3.37Å; R809-Q846 HydrophobicContact CB-CG 3.74Å; R809-Q846 PolarHBondContact N-O 2.6Å; R809-Q846 PolarHBondContact O-N 3.19Å; R809-V848 HydrophobicContact CG-CG2 4.38Å |
| 810 | L | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125 | 177.2 | 177.6 | 67.5 | 0 | 0 | 0 | 109.7 | V793 W795 V822 H823 F830 I832 C843 L845 | V793-L810 HydrophobicContact CB-CD2 4Å; V793-L810 HydrophobicContact CG1-CD1 3.98Å; V793-L810 HydrophobicContact CG1-CD2 3.87Å; V793-L810 HydrophobicContact CG2-CD2 4.12Å; W795-L810 HydrophobicContact CH2-CD2 4.3Å; W795-L810 HydrophobicContact CZ3-CD2 3.99Å; L810-V822 HydrophobicContact CB-CG2 4.43Å; L810-V822 HydrophobicContact CD2-CG2 4.02Å; L810-V822 HydrophobicContact CG-CG2 3.99Å; L810-V822 WeakPolarHBondContact O-CG2 3.41Å; L810-V822 PolarHBondContact O-N 2.75Å; L810-H823 HydrophobicContact CB-CB 4.16Å; L810-H823 PolarHBondContact N-O 3.11Å; L810-H823 PolarHBondContact O-N 2.85Å; L810-F830 HydrophobicContact CD2-CB 4.26Å; L810-F830 HydrophobicContact CD2-CD1 4.16Å; L810-I832 HydrophobicContact CD2-CD1 4.23Å; L810-C843 HydrophobicContact CD1-CB 4.27Å; L810-L845 HydrophobicContact CB-CD1 3.92Å; L810-L845 HydrophobicContact CD1-CB 4.38Å; L810-L845 HydrophobicContact CD1-CD1 4.17Å |
| 811 | E | 95.2 | Very high | 90.3 | Very high | 20 Ų | 20 | 64.1 Ų | 64.1 | 9% | 0.093 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 141.7 | 171.9 | -73.9 | 165.2 | -164.2 | 0 | 0 | 110.5 | L819 E820 L821 C843 R844 Y856 | E811-L819 HydrophobicContact CB-CB 4.31Å; E811-L819 HydrophobicContact CB-CD2 4.23Å; E811-E820 CarbonylContact C-O 3.48Å; E811-E820 WeakPolarHBondContact CA-O 3.47Å; E811-L821 HydrophobicContact CG-CB 4.32Å; E811-L821 HydrophobicContact CG-CD1 4.25Å; E811-C843 CarbonylContact O-C 3.56Å; E811-C843 WeakPolarHBondContact O-CA 3.25Å; E811-C843 WeakPolarHBondContact O-CB 3.44Å; E811-R844 HydrophobicContact CB-CG 4.15Å; E811-R844 PolarHBondContact N-O 2.9Å; E811-R844 PolarHBondContact O-N 2.81Å; E811-R844 IonicContact OE2-CZ 2.87Å; E811-R844 IonicContact OE2-NE 2.71Å; E811-R844 PolarHBondContact OE2-NE 2.81Å; E811-R844 IonicContact OE2-NH2 2.68Å; E811-R844 PolarHBondContact OE2-NH2 3.1Å; E811-Y856 HydrophobicContact CG-CE1 4.3Å; E811-Y856 VanDerWaalsContact OE1-CE1 3.28Å; E811-Y856 WeakPolarHBondContact OE1-CE1 3.43Å; E811-Y856 VanDerWaalsContact OE1-CZ 3.27Å; E811-Y856 PolarHBondContact OE1-OH 3.18Å; E811-Y856 VanDerWaalsContact OE2-CE1 3.25Å; E811-Y856 WeakPolarHBondContact OE2-CE1 3.32Å; E811-Y856 PolarHBondContact OE2-OH 2.99Å |
| 812 | W | 95.1 | Very high | 90.8 | Very high | 16 Ų | 16 | 65.6 Ų | 65.6 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 142.9 | -177.4 | 179.5 | -80.5 | 0 | 0 | 0 | 110.2 | L783 V791 V793 E820 V822 I832 L835 Y841 C842 C843 | L783-W812 HydrophobicContact CD2-CZ3 4.26Å; V791-W812 HydrophobicContact CB-CH2 4.22Å; V791-W812 HydrophobicContact CG1-CH2 4.34Å; V791-W812 HydrophobicContact CG2-CH2 4.28Å; V793-W812 HydrophobicContact CG2-CE3 4.33Å; V793-W812 HydrophobicContact CG2-CZ3 4.11Å; W812-E820 PolarHBondContact N-O 2.83Å; W812-E820 PolarHBondContact O-N 3.07Å; W812-V822 HydrophobicContact CB-CG1 3.92Å; W812-V822 HydrophobicContact CB-CG2 3.74Å; W812-I832 HydrophobicContact CB-CD1 4.03Å; W812-I832 HydrophobicContact CD2-CD1 3.48Å; W812-I832 VanDerWaalsContact CD2-CD1 3.48Å; W812-I832 HydrophobicContact CD2-CG2 4.48Å; W812-I832 HydrophobicContact CE3-CD1 3.32Å; W812-I832 HydrophobicContact CG-CD1 3.8Å; W812-I832 HydrophobicContact CZ3-CD1 3.99Å; W812-L835 HydrophobicContact CH2-CD1 4.31Å; W812-L835 HydrophobicContact CZ2-CD1 3.68Å; W812-L835 HydrophobicContact CZ2-CD2 3.91Å; W812-L835 HydrophobicContact CZ2-CG 4.47Å; W812-Y841 AromaticContact CE2-CD1 3.83Å; W812-Y841 AromaticContact CE2-CG 3.74Å; W812-Y841 HydrophobicContact CH2-CG 4.49Å; W812-Y841 HydrophobicContact CZ2-CD1 4.03Å; W812-Y841 AromaticContact CZ2-CD2 3.87Å; W812-Y841 HydrophobicContact CZ2-CD2 3.87Å; W812-Y841 AromaticContact CZ2-CG 3.47Å; W812-Y841 HydrophobicContact CZ2-CG 3.47Å; W812-Y841 VanDerWaalsContact CZ2-CG 3.47Å; W812-Y841 AromaticContact NE1-CD1 3.25Å; W812-Y841 AromaticContact NE1-CE1 3.86Å; W812-Y841 AromaticContact NE1-CG 3.67Å; W812-C842 WeakPolarHBondContact CA-O 3.34Å; W812-C843 HydrophobicContact CD2-CB 4.39Å; W812-C843 HydrophobicContact CE3-CB 3.57Å; W812-C843 HydrophobicContact CZ3-CB 4.2Å |
| 813 | G | 92.8 | Very high | 91.5 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 6% | 0.062 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | 170.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D815 S818 Y841 C842 | G813-D815 VanDerWaalsContact C-N 3.34Å; G813-S818 WeakPolarHBondContact CA-O 3.24Å; G813-Y841 CarbonylContact O-C 3.58Å; G813-Y841 VanDerWaalsContact O-CA 3.29Å; G813-Y841 WeakPolarHBondContact O-CA 3.15Å; G813-Y841 WeakPolarHBondContact O-CB 3.16Å; G813-Y841 WeakPolarHBondContact O-CD1 3.44Å; G813-C842 PolarHBondContact N-O 2.87Å; G813-C842 PolarHBondContact O-N 3Å |
| 814 | E | 89.6 | Confident | 91.9 | Very high | 124 Ų | 124 | 67 Ų | 67 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -71.9 | -34.1 | 175.6 | -65.5 | -172.1 | 165.7 | 0 | 0 | 110.9 | S818 Y841 | E814-S818 PolarHBondContact N-OG 2.7Å; E814-S818 VanDerWaalsContact N-OG 3.15Å; E814-Y841 HydrophobicContact CG-CD1 3.97Å; E814-Y841 HydrophobicContact CG-CE1 3.62Å |
| 815 | D | 88.5 | Confident | 92.2 | Very high | 85 Ų | 85 | 61.2 Ų | 61.2 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -142.3 | 179.2 | 176.3 | 62.7 | 26.8 | 0 | 0 | 0 | 111.5 | G813 E817 S818 C842 | G813-D815 VanDerWaalsContact C-N 3.34Å; D815-E817 PolarHBondContact O-N 3.47Å; D815-E817 PolarHBondContact OD1-N 3.22Å; D815-E817 VanDerWaalsContact OD1-N 3.11Å; D815-S818 PolarHBondContact N-OG 2.89Å; D815-S818 PolarHBondContact O-N 2.88Å; D815-S818 PolarHBondContact O-OG 2.86Å; D815-S818 WeakPolarHBondContact OD1-CB 3.22Å; D815-S818 PolarHBondContact OD1-N 3.33Å; D815-S818 PolarHBondContact OD1-OG 3.28Å; D815-C842 PolarHBondContact O-SG 3.15Å |
| 816 | E | 88.3 | Confident | 92.2 | Very high | 125 Ų | 125 | 64.6 Ų | 64.6 | 58% | 0.584 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18.5 | -176.2 | -165.9 | 174.7 | 179.1 | 0 | 0 | 113.4 | L819 L859 | E816-L819 HydrophobicContact CG-CD1 4.06Å; E816-L859 HydrophobicContact CB-CD2 4.08Å; E816-L859 HydrophobicContact CG-CD2 4.1Å |
| 817 | E | 86.4 | Confident | 92.3 | Very high | 193 Ų | 193 | 65.7 Ų | 65.7 | 90% | 0.902 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -21.7 | 177 | -62.8 | -168.3 | -178.1 | 0 | 0 | 112.4 | D815 | D815-E817 PolarHBondContact O-N 3.47Å; D815-E817 PolarHBondContact OD1-N 3.22Å; D815-E817 VanDerWaalsContact OD1-N 3.11Å |
| 818 | S | 89.9 | Confident | 92.2 | Very high | 49 Ų | 49 | 67.1 Ų | 67.1 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -102 | 14.7 | -179.2 | 55 | 0 | 0 | 0 | 0 | 114.9 | G813 E814 D815 E820 | G813-S818 WeakPolarHBondContact CA-O 3.24Å; E814-S818 PolarHBondContact N-OG 2.7Å; E814-S818 VanDerWaalsContact N-OG 3.15Å; D815-S818 PolarHBondContact N-OG 2.89Å; D815-S818 PolarHBondContact O-N 2.88Å; D815-S818 PolarHBondContact O-OG 2.86Å; D815-S818 WeakPolarHBondContact OD1-CB 3.22Å; D815-S818 PolarHBondContact OD1-N 3.33Å; D815-S818 PolarHBondContact OD1-OG 3.28Å; S818-E820 PolarHBondContact O-N 3.32Å |
| 819 | L | 92.4 | Very high | 92.1 | Very high | 24 Ų | 24 | 69.4 Ų | 69.4 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | trans | -65.4 | 109.6 | 176.8 | -78 | 169.3 | 0 | 0 | 0 | 112.6 | E811 E816 R844 L859 | E811-L819 HydrophobicContact CB-CB 4.31Å; E811-L819 HydrophobicContact CB-CD2 4.23Å; E816-L819 HydrophobicContact CG-CD1 4.06Å; L819-R844 HydrophobicContact CD1-CG 4.16Å; L819-R844 VanDerWaalsContact CD1-CZ 3.48Å; L819-L859 HydrophobicContact CD1-CD1 3.92Å | ||
| 820 | E | 92.1 | Very high | 92 | Very high | 148 Ų | 148 | 68.7 Ų | 68.7 | 69% | 0.692 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 152.1 | 172.6 | -65.4 | -161.4 | 162.2 | 0 | 0 | 112.5 | E811 W812 S818 V822 | E811-E820 CarbonylContact C-O 3.48Å; E811-E820 WeakPolarHBondContact CA-O 3.47Å; W812-E820 PolarHBondContact N-O 2.83Å; W812-E820 PolarHBondContact O-N 3.07Å; S818-E820 PolarHBondContact O-N 3.32Å; E820-V822 PolarHBondContact O-N 2.7Å |
| 821 | L | 94 | Very high | 92 | Very high | 95 Ų | 95 | 73.6 Ų | 73.6 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 100.8 | -179.2 | -179.9 | 70.6 | 0 | 0 | 0 | 111.1 | R809 E811 H823 | R809-L821 HydrophobicContact CB-CD1 3.68Å; R809-L821 HydrophobicContact CG-CD1 4.13Å; E811-L821 HydrophobicContact CG-CB 4.32Å; E811-L821 HydrophobicContact CG-CD1 4.25Å; L821-H823 WeakPolarHBondContact CD1-O 3.19Å |
| 822 | V | 93.3 | Very high | 91.9 | Very high | 54 Ų | 54 | 73.4 Ų | 73.4 | 33% | 0.327 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -23.8 | -176.8 | -66.5 | 0 | 0 | 0 | 0 | 114.3 | L810 W812 E820 F830 I832 | L810-V822 HydrophobicContact CB-CG2 4.43Å; L810-V822 HydrophobicContact CD2-CG2 4.02Å; L810-V822 HydrophobicContact CG-CG2 3.99Å; L810-V822 WeakPolarHBondContact O-CG2 3.41Å; L810-V822 PolarHBondContact O-N 2.75Å; W812-V822 HydrophobicContact CB-CG1 3.92Å; W812-V822 HydrophobicContact CB-CG2 3.74Å; E820-V822 PolarHBondContact O-N 2.7Å; V822-F830 HydrophobicContact CB-CE1 4.17Å; V822-F830 HydrophobicContact CG2-CD1 4.45Å; V822-F830 HydrophobicContact CG2-CE1 4.23Å; V822-F830 WeakPolarHBondContact O-CZ 3.14Å; V822-I832 HydrophobicContact CG2-CD1 3.98Å |
| 823 | H | 92.6 | Very high | 91.6 | Very high | 17 Ų | 17 | 76.1 Ų | 76.1 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.6 | 174.7 | 174.2 | 95.5 | 0 | 0 | 0 | 111.7 | R809 L810 L821 G825 D827 F830 | R809-H823 WeakPolarHBondContact CA-O 3.35Å; L810-H823 HydrophobicContact CB-CB 4.16Å; L810-H823 PolarHBondContact N-O 3.11Å; L810-H823 PolarHBondContact O-N 2.85Å; L821-H823 WeakPolarHBondContact CD1-O 3.19Å; H823-G825 WeakPolarHBondContact NE2-CA 3.49Å; H823-G825 PolarHBondContact NE2-N 3.01Å; H823-D827 IonicContact CE1-OD2 3.12Å; H823-F830 HydrophobicContact CB-CB 4.3Å; H823-F830 HydrophobicContact CB-CD1 3.85Å; H823-F830 HydrophobicContact CB-CD2 3.87Å; H823-F830 HydrophobicContact CB-CE1 4.04Å; H823-F830 HydrophobicContact CB-CE2 4.07Å; H823-F830 HydrophobicContact CB-CG 3.75Å; H823-F830 HydrophobicContact CB-CZ 4.15Å; H823-F830 AromaticContact CG-CD2 3.83Å; H823-F830 AromaticContact CG-CG 3.99Å; H823-F830 AromaticContact ND1-CD2 3.25Å; H823-F830 VanDerWaalsContact ND1-CD2 3.25Å; H823-F830 WeakPolarHBondContact ND1-CD2 3.34Å; H823-F830 AromaticContact ND1-CE2 3.68Å; H823-F830 AromaticContact ND1-CG 3.86Å |
| 824 | N | 93.5 | Very high | 91.4 | Very high | 77 Ų | 77 | 84.9 Ų | 84.9 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 117.9 | 161.7 | -174.4 | 46.9 | 0 | 0 | 0 | 109.4 | E807 Y808 R809 | E807-N824 PolarHBondContact OE1-OD1 2.64Å; E807-N824 PolarHBondContact OE2-ND2 3.23Å; E807-N824 PolarHBondContact OE2-OD1 2.93Å; Y808-N824 VanDerWaalsContact O-CA 3.3Å; Y808-N824 WeakPolarHBondContact O-CA 3.44Å; Y808-N824 PolarHBondContact O-OD1 2.82Å; R809-N824 HydrophobicContact CG-CB 4.36Å; R809-N824 WeakPolarHBondContact CG-OD1 3.06Å |
| 825 | G | 90.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 79.6 Ų | 79.6 | 18% | 0.175 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | -174.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E807 Y808 H823 | E807-G825 CarbonylContact C-O 3.54Å; E807-G825 VanDerWaalsContact CA-O 3.29Å; E807-G825 WeakPolarHBondContact CA-O 3.12Å; Y808-G825 PolarHBondContact N-O 2.93Å; Y808-G825 PolarHBondContact O-N 2.89Å; Y808-G825 VanDerWaalsContact O-N 3.16Å; H823-G825 WeakPolarHBondContact NE2-CA 3.49Å; H823-G825 PolarHBondContact NE2-N 3.01Å |
| 826 | T | 91.8 | Very high | 91.2 | Very high | 104 Ų | 104 | 78.6 Ų | 78.6 | 64% | 0.638 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -97.4 | -2.3 | 177.8 | 47.8 | 0 | 0 | 0 | 0 | 113.7 | S806 | S806-T826 VanDerWaalsContact O-CG2 3.29Å; S806-T826 WeakPolarHBondContact O-CG2 3.4Å |
| 827 | D | 91.6 | Very high | 90.9 | Very high | 91 Ų | 91 | 73.6 Ų | 73.6 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | trans | -69.9 | 156.4 | -177.1 | -55.1 | -72.9 | 0 | 0 | 0 | 112.1 | W795 Y808 H823 | W795-D827 WeakPolarHBondContact CZ2-O 3.47Å; W795-D827 PolarHBondContact NE1-O 2.73Å; W795-D827 VanDerWaalsContact NE1-O 3.16Å; Y808-D827 VanDerWaalsContact CD2-O 3.29Å; Y808-D827 WeakPolarHBondContact CD2-O 3.32Å; H823-D827 IonicContact CE1-OD2 3.12Å | ||
| 828 | T | 92.3 | Very high | 90.7 | Very high | 75 Ų | 75 | 65 Ų | 65 | 46% | 0.46 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -103.2 | 10.5 | 176.9 | 57 | 0 | 0 | 0 | 0 | 113.1 | W795 | W795-T828 PolarHBondContact N-O 3.01Š|
| 829 | C | 92.1 | Very high | 90.5 | Very high | 61 Ų | 61 | 63.9 Ų | 63.9 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 153.1 | 175.7 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | L792 V793 | L792-C829 HydrophobicContact CD1-CB 4.05Å; V793-C829 CarbonylContact O-C 3.6Å; V793-C829 WeakPolarHBondContact O-CA 3.15Å; V793-C829 VanDerWaalsContact O-CB 3.29Å; V793-C829 WeakPolarHBondContact O-CB 3.47Å |
| 830 | F | 94.8 | Very high | 90.3 | Very high | 61 Ų | 61 | 68.3 Ų | 68.3 | 27% | 0.268 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 133.7 | 178.7 | -173.5 | -110.3 | 0 | 0 | 0 | 110.6 | V793 W795 L810 V822 H823 I832 | V793-F830 PolarHBondContact N-O 2.04Å; V793-F830 PolarHBondContact O-N 2.68Å; W795-F830 HydrophobicContact CH2-CB 3.85Å; W795-F830 HydrophobicContact CZ3-CB 4.12Å; L810-F830 HydrophobicContact CD2-CB 4.26Å; L810-F830 HydrophobicContact CD2-CD1 4.16Å; V822-F830 HydrophobicContact CB-CE1 4.17Å; V822-F830 HydrophobicContact CG2-CD1 4.45Å; V822-F830 HydrophobicContact CG2-CE1 4.23Å; V822-F830 WeakPolarHBondContact O-CZ 3.14Å; H823-F830 HydrophobicContact CB-CB 4.3Å; H823-F830 HydrophobicContact CB-CD1 3.85Å; H823-F830 HydrophobicContact CB-CD2 3.87Å; H823-F830 HydrophobicContact CB-CE1 4.04Å; H823-F830 HydrophobicContact CB-CE2 4.07Å; H823-F830 HydrophobicContact CB-CG 3.75Å; H823-F830 HydrophobicContact CB-CZ 4.15Å; H823-F830 AromaticContact CG-CD2 3.83Å; H823-F830 AromaticContact CG-CG 3.99Å; H823-F830 AromaticContact ND1-CD2 3.25Å; H823-F830 VanDerWaalsContact ND1-CD2 3.25Å; H823-F830 WeakPolarHBondContact ND1-CD2 3.34Å; H823-F830 AromaticContact ND1-CE2 3.68Å; H823-F830 AromaticContact ND1-CG 3.86Å; F830-I832 HydrophobicContact CD1-CD1 4.39Å; F830-I832 HydrophobicContact CD1-CG1 3.7Å; F830-I832 HydrophobicContact CE1-CG1 3.9Å |
| 831 | E | 94.2 | Very high | 90.4 | Very high | 104 Ų | 104 | 62 Ų | 62 | 49% | 0.486 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.5 | 174.5 | -176.3 | 175.4 | 178.2 | 0 | 0 | 110.1 | L786 S790 L792 | L786-E831 VanDerWaalsContact CD1-CD 3.46Å; L786-E831 HydrophobicContact CD1-CG 3.97Å; L786-E831 WeakPolarHBondContact CD1-OE1 3.29Å; S790-E831 PolarHBondContact OG-OE1 2.88Å; L792-E831 HydrophobicContact CD1-CB 4.35Å |
| 832 | I | 92.9 | Very high | 90.4 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.082 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.4 | 176.3 | -56.5 | 174.5 | 0 | 0 | 0 | 107.3 | S790 V791 V793 L810 W812 V822 F830 L835 | S790-I832 CarbonylContact C-O 3.55Å; S790-I832 WeakPolarHBondContact CA-O 3.18Å; S790-I832 VanDerWaalsContact CB-O 3.24Å; S790-I832 WeakPolarHBondContact CB-O 3.47Å; V791-I832 PolarHBondContact N-O 2.98Å; V791-I832 PolarHBondContact O-N 2.9Å; V793-I832 HydrophobicContact CG2-CD1 3.7Å; V793-I832 HydrophobicContact CG2-CG1 4.26Å; L810-I832 HydrophobicContact CD2-CD1 4.23Å; W812-I832 HydrophobicContact CB-CD1 4.03Å; W812-I832 HydrophobicContact CD2-CD1 3.48Å; W812-I832 VanDerWaalsContact CD2-CD1 3.48Å; W812-I832 HydrophobicContact CD2-CG2 4.48Å; W812-I832 HydrophobicContact CE3-CD1 3.32Å; W812-I832 HydrophobicContact CG-CD1 3.8Å; W812-I832 HydrophobicContact CZ3-CD1 3.99Å; V822-I832 HydrophobicContact CG2-CD1 3.98Å; F830-I832 HydrophobicContact CD1-CD1 4.39Å; F830-I832 HydrophobicContact CD1-CG1 3.7Å; F830-I832 HydrophobicContact CE1-CG1 3.9Å; I832-L835 HydrophobicContact CB-CD1 4.4Å; I832-L835 HydrophobicContact CG2-CD1 4.01Å; I832-L835 HydrophobicContact CG2-CD2 3.87Å; I832-L835 HydrophobicContact CG2-CG 4.1Å |
| 833 | S | 90.8 | Very high | 90.4 | Very high | 73 Ų | 73 | 55.1 Ų | 55.1 | 51% | 0.51 | 31% | 0.31 | S | S | . | . | trans | -123.3 | 176.5 | -174.7 | 61 | 0 | 0 | 0 | 0 | 112 | T789 L835 | T789-S833 CarbonylContact O-C 3.5Å; S833-L835 PolarHBondContact O-N 2.86Å | ||
| 834 | E | 87.3 | Confident | 90.5 | Very high | 189 Ų | 189 | 57 Ų | 57 | 88% | 0.883 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 62.8 | 27.8 | -179.4 | -51.5 | -171.3 | 170.6 | 0 | 0 | 113.3 | T789 | T789-E834 PolarHBondContact O-N 3.27Å; T789-E834 VanDerWaalsContact O-N 3.11Å |
| 835 | L | 89.3 | Confident | 90.6 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 151.9 | 178.6 | -62.1 | 170.7 | 0 | 0 | 0 | 112.1 | T789 V791 W812 I832 S833 Y841 L864 | T789-L835 WeakPolarHBondContact CA-O 3.27Å; T789-L835 WeakPolarHBondContact CG2-O 3.49Å; T789-L835 WeakPolarHBondContact O-CB 3.5Å; T789-L835 PolarHBondContact O-N 2.83Å; V791-L835 HydrophobicContact CB-CD1 4.25Å; V791-L835 HydrophobicContact CG2-CD1 3.89Å; W812-L835 HydrophobicContact CH2-CD1 4.31Å; W812-L835 HydrophobicContact CZ2-CD1 3.68Å; W812-L835 HydrophobicContact CZ2-CD2 3.91Å; W812-L835 HydrophobicContact CZ2-CG 4.47Å; I832-L835 HydrophobicContact CB-CD1 4.4Å; I832-L835 HydrophobicContact CG2-CD1 4.01Å; I832-L835 HydrophobicContact CG2-CD2 3.87Å; I832-L835 HydrophobicContact CG2-CG 4.1Å; S833-L835 PolarHBondContact O-N 2.86Å; L835-Y841 HydrophobicContact CB-CE2 4.05Å; L835-Y841 HydrophobicContact CD2-CD1 4.36Å; L835-Y841 HydrophobicContact CD2-CD2 4.44Å; L835-Y841 HydrophobicContact CD2-CE1 3.93Å; L835-Y841 HydrophobicContact CD2-CE2 4Å; L835-L864 HydrophobicContact CB-CD2 3.62Å; L835-L864 HydrophobicContact CD1-CD1 4.3Å; L835-L864 HydrophobicContact CD1-CD2 3.97Å; L835-L864 HydrophobicContact CG-CD2 4.47Å |
| 836 | S | 84.6 | Confident | 90.8 | Very high | 64 Ų | 64 | 53.2 Ų | 53.2 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 126.2 | 177.2 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | A839 Y841 | S836-A839 WeakPolarHBondContact O-CB 3.37Å; S836-A839 PolarHBondContact O-N 2.81Å; S836-Y841 WeakPolarHBondContact CB-OH 3.46Å; S836-Y841 PolarHBondContact N-OH 2.95Å |
| 837 | A | 82.9 | Confident | 90.9 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 140.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D788 A839 S867 N904 | D788-A837 HydrophobicContact CB-CB 4.27Å; D788-A837 VanDerWaalsContact O-CA 3.32Å; D788-A837 WeakPolarHBondContact O-CA 3.29Å; A837-A839 PolarHBondContact O-N 3.38Å; A837-S867 WeakPolarHBondContact CB-OG 3.39Å; A837-N904 HydrophobicContact CB-CB 4.17Å |
| 838 | A | 81.3 | Confident | 90.9 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 12% | 0.116 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 8.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | K863 L864 P865 A866 N904 G905 | A838-K863 WeakPolarHBondContact O-CE 3.38Å; A838-L864 WeakPolarHBondContact CA-O 3.41Å; A838-P865 PolarHBondContact N-O 2.99Å; A838-A866 HydrophobicContact CB-CB 4.27Å; A838-N904 WeakPolarHBondContact CB-O 3.46Å; A838-G905 VanDerWaalsContact CB-CA 3.49Å |
| 839 | A | 85.9 | Confident | 90.8 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 21% | 0.207 | 22% | 0.221 | C | C | . | . | trans | -72.5 | 158.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S836 A837 Y841 K863 L864 | S836-A839 WeakPolarHBondContact O-CB 3.37Å; S836-A839 PolarHBondContact O-N 2.81Å; A837-A839 PolarHBondContact O-N 3.38Å; A839-Y841 HydrophobicContact CB-CD2 4.39Å; A839-Y841 HydrophobicContact CB-CE2 3.69Å; A839-K863 WeakPolarHBondContact O-CA 3.44Å; A839-K863 WeakPolarHBondContact O-CG 3.44Å; A839-L864 PolarHBondContact O-N 3.26Å; A839-L864 VanDerWaalsContact O-N 3.16Å | ||
| 840 | H | 89 | Confident | 90.6 | Very high | 117 Ų | 117 | 47.2 Ų | 47.2 | 54% | 0.542 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 140.7 | 170.2 | -74.2 | -101.7 | 0 | 0 | 0 | 109.1 | C862 K863 | H840-C862 WeakPolarHBondContact CA-O 3.45Å; H840-K863 WeakPolarHBondContact NE2-CD 3.47Å; H840-K863 WeakPolarHBondContact NE2-CE 3.2Å |
| 841 | Y | 92.8 | Very high | 90.2 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 157.9 | 173.7 | -66.6 | -83 | 0 | 0 | 0 | 109.9 | W812 G813 E814 L835 S836 A839 T861 C862 L864 | W812-Y841 AromaticContact CE2-CD1 3.83Å; W812-Y841 AromaticContact CE2-CG 3.74Å; W812-Y841 HydrophobicContact CH2-CG 4.49Å; W812-Y841 HydrophobicContact CZ2-CD1 4.03Å; W812-Y841 AromaticContact CZ2-CD2 3.87Å; W812-Y841 HydrophobicContact CZ2-CD2 3.87Å; W812-Y841 AromaticContact CZ2-CG 3.47Å; W812-Y841 HydrophobicContact CZ2-CG 3.47Å; W812-Y841 VanDerWaalsContact CZ2-CG 3.47Å; W812-Y841 AromaticContact NE1-CD1 3.25Å; W812-Y841 AromaticContact NE1-CE1 3.86Å; W812-Y841 AromaticContact NE1-CG 3.67Å; G813-Y841 CarbonylContact O-C 3.58Å; G813-Y841 VanDerWaalsContact O-CA 3.29Å; G813-Y841 WeakPolarHBondContact O-CA 3.15Å; G813-Y841 WeakPolarHBondContact O-CB 3.16Å; G813-Y841 WeakPolarHBondContact O-CD1 3.44Å; E814-Y841 HydrophobicContact CG-CD1 3.97Å; E814-Y841 HydrophobicContact CG-CE1 3.62Å; L835-Y841 HydrophobicContact CB-CE2 4.05Å; L835-Y841 HydrophobicContact CD2-CD1 4.36Å; L835-Y841 HydrophobicContact CD2-CD2 4.44Å; L835-Y841 HydrophobicContact CD2-CE1 3.93Å; L835-Y841 HydrophobicContact CD2-CE2 4Å; S836-Y841 WeakPolarHBondContact CB-OH 3.46Å; S836-Y841 PolarHBondContact N-OH 2.95Å; A839-Y841 HydrophobicContact CB-CD2 4.39Å; A839-Y841 HydrophobicContact CB-CE2 3.69Å; Y841-T861 CarbonylContact O-C 3.55Å; Y841-T861 WeakPolarHBondContact O-CA 3.39Å; Y841-C862 PolarHBondContact N-O 2.87Å; Y841-C862 PolarHBondContact O-N 3.42Å; Y841-L864 HydrophobicContact CD2-CD1 3.54Å; Y841-L864 HydrophobicContact CE2-CD1 3.87Å |
| 842 | C | 93.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.5 | 172.4 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | W812 G813 D815 L859 V860 T861 | W812-C842 WeakPolarHBondContact CA-O 3.34Å; G813-C842 PolarHBondContact N-O 2.87Å; G813-C842 PolarHBondContact O-N 3Å; D815-C842 PolarHBondContact O-SG 3.15Å; C842-L859 HydrophobicContact CB-CD1 3.97Å; C842-L859 HydrophobicContact CB-CD2 4.1Å; C842-L859 HydrophobicContact CB-CG 4Å; C842-V860 CarbonylContact C-O 3.51Å; C842-V860 VanDerWaalsContact CA-O 3.24Å; C842-V860 WeakPolarHBondContact CA-O 3.47Å; C842-T861 HydrophobicContact CB-CG2 3.85Å |
| 843 | C | 94.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 155.2 | 177.4 | 67.1 | 0 | 0 | 0 | 0 | 112.7 | L810 E811 W812 V860 | L810-C843 HydrophobicContact CD1-CB 4.27Å; E811-C843 CarbonylContact O-C 3.56Å; E811-C843 WeakPolarHBondContact O-CA 3.25Å; E811-C843 WeakPolarHBondContact O-CB 3.44Å; W812-C843 HydrophobicContact CD2-CB 4.39Å; W812-C843 HydrophobicContact CE3-CB 3.57Å; W812-C843 HydrophobicContact CZ3-CB 4.2Å; C843-V860 PolarHBondContact N-O 3Å; C843-V860 PolarHBondContact O-N 2.79Å |
| 844 | R | 94.8 | Very high | 89.6 | Confident | 58 Ų | 58 | 41 Ų | 41 | 22% | 0.219 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 149.6 | 175.3 | 62.5 | 177.2 | -173.7 | -141.8 | -8.6 | 110.9 | E811 L819 Y856 L859 | E811-R844 HydrophobicContact CB-CG 4.15Å; E811-R844 PolarHBondContact N-O 2.9Å; E811-R844 PolarHBondContact O-N 2.81Å; E811-R844 IonicContact OE2-CZ 2.87Å; E811-R844 IonicContact OE2-NE 2.71Å; E811-R844 PolarHBondContact OE2-NE 2.81Å; E811-R844 IonicContact OE2-NH2 2.68Å; E811-R844 PolarHBondContact OE2-NH2 3.1Å; L819-R844 HydrophobicContact CD1-CG 4.16Å; L819-R844 VanDerWaalsContact CD1-CZ 3.48Å; R844-Y856 HydrophobicContact CB-CD1 4.26Å; R844-Y856 HydrophobicContact CG-CD1 3.64Å; R844-Y856 HydrophobicContact CG-CE1 4.22Å; R844-Y856 HydrophobicContact CG-CG 4.18Å; R844-L859 HydrophobicContact CB-CD1 4.24Å |
| 845 | L | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.8 | -171.9 | -178 | 79.5 | 0 | 0 | 0 | 110.7 | C778 P781 W795 R809 L810 Y856 S857 | C778-L845 HydrophobicContact CB-CB 4.34Å; C778-L845 HydrophobicContact CB-CD2 3.96Å; C778-L845 HydrophobicContact CB-CG 4.27Å; C778-L845 WeakPolarHBondContact CB-O 3.31Å; P781-L845 HydrophobicContact CG-CB 4.45Å; W795-L845 HydrophobicContact CB-CD2 3.4Å; W795-L845 HydrophobicContact CD2-CD1 3.93Å; W795-L845 HydrophobicContact CD2-CD2 3.64Å; W795-L845 HydrophobicContact CD2-CG 4.46Å; W795-L845 HydrophobicContact CE3-CD1 4.2Å; W795-L845 HydrophobicContact CE3-CD2 4.28Å; W795-L845 HydrophobicContact CG-CD1 4.4Å; W795-L845 HydrophobicContact CG-CD2 3.25Å; W795-L845 HydrophobicContact CG-CG 4.46Å; W795-L845 HydrophobicContact CH2-CD1 4.35Å; W795-L845 HydrophobicContact CZ2-CD1 4.08Å; W795-L845 HydrophobicContact CZ3-CD1 4.41Å; R809-L845 WeakPolarHBondContact O-CA 3.37Å; L810-L845 HydrophobicContact CB-CD1 3.92Å; L810-L845 HydrophobicContact CD1-CB 4.38Å; L810-L845 HydrophobicContact CD1-CD1 4.17Å; L845-Y856 CarbonylContact O-C 3.55Å; L845-Y856 WeakPolarHBondContact O-CA 3.08Å; L845-S857 PolarHBondContact N-OG 2.8Å; L845-S857 PolarHBondContact O-N 2.64Å |
| 846 | Q | 94.4 | Very high | 90 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 7% | 0.065 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145.4 | 167.8 | 63.4 | -176.5 | -26.3 | 0 | 0 | 110.9 | Y808 R809 G854 Y856 | Y808-Q846 WeakPolarHBondContact CA-O 3.24Å; R809-Q846 HydrophobicContact CB-CG 3.74Å; R809-Q846 PolarHBondContact N-O 2.6Å; R809-Q846 PolarHBondContact O-N 3.19Å; Q846-G854 PolarHBondContact OE1-O 3.34Å; Q846-Y856 HydrophobicContact CB-CD1 3.81Å; Q846-Y856 HydrophobicContact CB-CE1 4.19Å; Q846-Y856 HydrophobicContact CB-CG 4.03Å; Q846-Y856 HydrophobicContact CG-CD1 3.91Å; Q846-Y856 HydrophobicContact CG-CE1 3.75Å; Q846-Y856 HydrophobicContact CG-CG 4.48Å; Q846-Y856 PolarHBondContact NE2-OH 2.92Å |
| 847 | A | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 149.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P775 C778 P798 I805 Y808 G854 | P775-A847 HydrophobicContact CB-CB 3.86Å; P775-A847 HydrophobicContact CG-CB 4.07Å; C778-A847 PolarHBondContact SG-N 2.85Å; C778-A847 VanDerWaalsContact SG-N 3.41Å; P798-A847 HydrophobicContact CG-CB 3.65Å; I805-A847 HydrophobicContact CD1-CB 4.08Å; I805-A847 HydrophobicContact CG1-CB 4.48Å; I805-A847 HydrophobicContact CG2-CB 4.07Å; Y808-A847 HydrophobicContact CD1-CB 3.88Å; Y808-A847 HydrophobicContact CE1-CB 3.84Å; A847-G854 PolarHBondContact O-N 2.77Å |
| 848 | V | 92.2 | Very high | 90.9 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.4 | -176.6 | -170.7 | 0 | 0 | 0 | 0 | 109.2 | I805 S806 E807 R809 G852 A853 | I805-V848 CarbonylContact C-O 3.56Å; I805-V848 WeakPolarHBondContact CG2-O 3.42Å; S806-V848 PolarHBondContact N-O 3.04Å; S806-V848 PolarHBondContact OG-O 3.07Å; S806-V848 VanDerWaalsContact OG-O 3.11Å; E807-V848 HydrophobicContact CG-CB 3.63Å; E807-V848 HydrophobicContact CG-CG1 4.18Å; E807-V848 HydrophobicContact CG-CG2 3.88Å; E807-V848 PolarHBondContact N-O 3.32Å; E807-V848 PolarHBondContact O-N 3.23Å; R809-V848 HydrophobicContact CG-CG2 4.38Å; V848-G852 WeakPolarHBondContact CA-O 3.39Å; V848-A853 HydrophobicContact CG1-CB 4.42Å; V848-A853 HydrophobicContact CG2-CB 3.97Å |
| 849 | N | 90.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | -173.4 | 169 | 70.9 | 10.8 | 0 | 0 | 0 | 110.9 | G773 P775 A803 D804 S806 A851 G852 | G773-N849 PolarHBondContact O-ND2 3.08Å; G773-N849 PolarHBondContact O-OD1 2.88Å; P775-N849 HydrophobicContact CG-CB 3.94Å; A803-N849 PolarHBondContact O-ND2 2.9Å; A803-N849 VanDerWaalsContact O-ND2 3.14Å; D804-N849 WeakPolarHBondContact O-CB 3.49Å; S806-N849 WeakPolarHBondContact OG-CA 3.46Å; N849-A851 PolarHBondContact O-N 2.87Å; N849-A851 VanDerWaalsContact O-N 3.08Å; N849-A851 WeakPolarHBondContact OD1-CA 3.37Å; N849-A851 WeakPolarHBondContact OD1-CB 3.36Å; N849-A851 PolarHBondContact OD1-N 2.8Å; N849-G852 PolarHBondContact N-O 3.05Å; N849-G852 PolarHBondContact O-N 3.27Å; N849-G852 PolarHBondContact OD1-N 2.75Å; N849-G852 PolarHBondContact OD1-O 2.7Å |
| 850 | Q | 87.3 | Confident | 91.8 | Very high | 189 Ų | 189 | 41.8 Ų | 41.8 | 88% | 0.883 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24 | 179.2 | -172.2 | 177.6 | 0.3 | 0 | 0 | 114.3 | ||
| 851 | A | 85.3 | Confident | 92 | Very high | 47 Ų | 47 | 41.1 Ų | 41.1 | 39% | 0.388 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -10.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A772 G773 N849 | A772-A851 HydrophobicContact CB-CB 4.26Å; A772-A851 VanDerWaalsContact O-CB 3.3Å; A772-A851 WeakPolarHBondContact O-CB 3.31Å; G773-A851 VanDerWaalsContact C-CB 3.47Å; N849-A851 PolarHBondContact O-N 2.87Å; N849-A851 VanDerWaalsContact O-N 3.08Å; N849-A851 WeakPolarHBondContact OD1-CA 3.37Å; N849-A851 WeakPolarHBondContact OD1-CB 3.36Å; N849-A851 PolarHBondContact OD1-N 2.8Å |
| 852 | G | 87.1 | Confident | 91.7 | Very high | 27 Ų | 27 | 41 Ų | 41 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 134.5 | -172.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | P775 V848 N849 | P775-G852 WeakPolarHBondContact CD-O 3.48Å; V848-G852 WeakPolarHBondContact CA-O 3.39Å; N849-G852 PolarHBondContact N-O 3.05Å; N849-G852 PolarHBondContact O-N 3.27Å; N849-G852 PolarHBondContact OD1-N 2.75Å; N849-G852 PolarHBondContact OD1-O 2.7Å |
| 853 | A | 89.8 | Confident | 91.4 | Very high | 43 Ų | 43 | 46 Ų | 46 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 132.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P774 V848 | P774-A853 WeakPolarHBondContact CB-O 3.26Å; V848-A853 HydrophobicContact CG1-CB 4.42Å; V848-A853 HydrophobicContact CG2-CB 3.97Å |
| 854 | G | 90.3 | Very high | 91 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 172.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P775 Q846 A847 | P775-G854 WeakPolarHBondContact O-CA 3.33Å; Q846-G854 PolarHBondContact OE1-O 3.34Å; A847-G854 PolarHBondContact O-N 2.77Å |
| 855 | P | 92.4 | Very high | 90.5 | Very high | 76 Ų | 76 | 46.3 Ų | 46.3 | 49% | 0.494 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 147.8 | 174.2 | 29.1 | -32.8 | 0 | 0 | 0 | 111.3 | Q777 | Q777-P855 HydrophobicContact CB-CG 3.83Å; Q777-P855 HydrophobicContact CG-CB 4.39Å; Q777-P855 HydrophobicContact CG-CG 4.03Å |
| 856 | Y | 92.7 | Very high | 90 | Very high | 71 Ų | 71 | 47.8 Ų | 47.8 | 28% | 0.278 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 149.1 | 171.1 | -63.6 | -93.9 | 0 | 0 | 0 | 111.7 | Q777 E811 R844 L845 Q846 | Q777-Y856 WeakPolarHBondContact CG-O 3.41Å; Q777-Y856 PolarHBondContact NE2-O 3.33Å; E811-Y856 HydrophobicContact CG-CE1 4.3Å; E811-Y856 VanDerWaalsContact OE1-CE1 3.28Å; E811-Y856 WeakPolarHBondContact OE1-CE1 3.43Å; E811-Y856 VanDerWaalsContact OE1-CZ 3.27Å; E811-Y856 PolarHBondContact OE1-OH 3.18Å; E811-Y856 VanDerWaalsContact OE2-CE1 3.25Å; E811-Y856 WeakPolarHBondContact OE2-CE1 3.32Å; E811-Y856 PolarHBondContact OE2-OH 2.99Å; R844-Y856 HydrophobicContact CB-CD1 4.26Å; R844-Y856 HydrophobicContact CG-CD1 3.64Å; R844-Y856 HydrophobicContact CG-CE1 4.22Å; R844-Y856 HydrophobicContact CG-CG 4.18Å; L845-Y856 CarbonylContact O-C 3.55Å; L845-Y856 WeakPolarHBondContact O-CA 3.08Å; Q846-Y856 HydrophobicContact CB-CD1 3.81Å; Q846-Y856 HydrophobicContact CB-CE1 4.19Å; Q846-Y856 HydrophobicContact CB-CG 4.03Å; Q846-Y856 HydrophobicContact CG-CD1 3.91Å; Q846-Y856 HydrophobicContact CG-CE1 3.75Å; Q846-Y856 HydrophobicContact CG-CG 4.48Å; Q846-Y856 PolarHBondContact NE2-OH 2.92Å |
| 857 | S | 94.3 | Very high | 89.6 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 159.4 | 164.8 | 70 | 0 | 0 | 0 | 0 | 111.4 | C778 L845 | C778-S857 WeakPolarHBondContact O-CA 3.49Å; C778-S857 VanDerWaalsContact O-CB 3.24Å; C778-S857 WeakPolarHBondContact O-CB 3.33Å; L845-S857 PolarHBondContact N-OG 2.8Å; L845-S857 PolarHBondContact O-N 2.64Å |
| 858 | D | 92.3 | Very high | 89.3 | Confident | 101 Ų | 101 | 50 Ų | 50 | 54% | 0.54 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 147.8 | 164.6 | -51.6 | -30.2 | 0 | 0 | 0 | 109.9 | Q777 P780 V860 | Q777-D858 PolarHBondContact NE2-OD1 2.86Å; P780-D858 HydrophobicContact CG-CB 4.26Å; D858-V860 PolarHBondContact O-N 3.2Å |
| 859 | L | 92.3 | Very high | 89.1 | Confident | 61 Ų | 61 | 49.5 Ų | 49.5 | 32% | 0.319 | 29% | 0.289 | S | S | . | . | trans | -69.9 | 115.6 | -174 | -171 | 72.8 | 0 | 0 | 0 | 110.9 | E816 L819 C842 R844 T861 | E816-L859 HydrophobicContact CB-CD2 4.08Å; E816-L859 HydrophobicContact CG-CD2 4.1Å; L819-L859 HydrophobicContact CD1-CD1 3.92Å; C842-L859 HydrophobicContact CB-CD1 3.97Å; C842-L859 HydrophobicContact CB-CD2 4.1Å; C842-L859 HydrophobicContact CB-CG 4Å; R844-L859 HydrophobicContact CB-CD1 4.24Å; L859-T861 HydrophobicContact CD2-CG2 4.43Å | ||
| 860 | V | 93.2 | Very high | 89 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 117.3 | 174.5 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | P780 P781 L783 C842 C843 D858 | P780-V860 HydrophobicContact CB-CG2 3.47Å; P780-V860 VanDerWaalsContact CB-CG2 3.47Å; P781-V860 HydrophobicContact CG-CB 4.5Å; P781-V860 HydrophobicContact CG-CG2 4.03Å; L783-V860 HydrophobicContact CD1-CG1 3.52Å; L783-V860 HydrophobicContact CG-CG1 4.02Å; C842-V860 CarbonylContact C-O 3.51Å; C842-V860 VanDerWaalsContact CA-O 3.24Å; C842-V860 WeakPolarHBondContact CA-O 3.47Å; C843-V860 PolarHBondContact N-O 3Å; C843-V860 PolarHBondContact O-N 2.79Å; D858-V860 PolarHBondContact O-N 3.2Å |
| 861 | T | 91.9 | Very high | 89 | Confident | 104 Ų | 104 | 45.9 Ų | 45.9 | 64% | 0.638 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 146.6 | 171.2 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | Y841 C842 L859 | Y841-T861 CarbonylContact O-C 3.55Å; Y841-T861 WeakPolarHBondContact O-CA 3.39Å; C842-T861 HydrophobicContact CB-CG2 3.85Å; L859-T861 HydrophobicContact CD2-CG2 4.43Å |
| 862 | C | 87.5 | Confident | 89.3 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 10% | 0.095 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 167.7 | 175.2 | 75.2 | 0 | 0 | 0 | 0 | 110.9 | L783 F785 H840 Y841 | L783-C862 HydrophobicContact CD1-CB 3.55Å; F785-C862 HydrophobicContact CE1-CB 4.36Å; F785-C862 HydrophobicContact CZ-CB 4.15Å; H840-C862 WeakPolarHBondContact CA-O 3.45Å; Y841-C862 PolarHBondContact N-O 2.87Å; Y841-C862 PolarHBondContact O-N 3.42Å |
| 863 | K | 87.2 | Confident | 89.2 | Confident | 106 Ų | 106 | 47.9 Ų | 47.9 | 46% | 0.461 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.1 | 167.4 | -167.1 | -171.9 | -171.1 | 168.7 | 0 | 107.3 | F785 A838 A839 H840 | F785-K863 VanDerWaalsContact CE1-O 3.32Å; F785-K863 WeakPolarHBondContact CE1-O 3.37Å; F785-K863 WeakPolarHBondContact CZ-O 3.45Å; A838-K863 WeakPolarHBondContact O-CE 3.38Å; A839-K863 WeakPolarHBondContact O-CA 3.44Å; A839-K863 WeakPolarHBondContact O-CG 3.44Å; H840-K863 WeakPolarHBondContact NE2-CD 3.47Å; H840-K863 WeakPolarHBondContact NE2-CE 3.2Å |
| 864 | L | 86.9 | Confident | 89.1 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 156.7 | 174.4 | -83.6 | 75.7 | 0 | 0 | 0 | 110 | F785 D788 V791 L835 A838 A839 Y841 | F785-L864 HydrophobicContact CD1-CG 4.24Å; F785-L864 HydrophobicContact CE1-CG 4.35Å; D788-L864 VanDerWaalsContact O-CD2 3.3Å; D788-L864 WeakPolarHBondContact O-CD2 3.39Å; V791-L864 HydrophobicContact CG2-CD1 3.98Å; V791-L864 HydrophobicContact CG2-CD2 4.21Å; V791-L864 HydrophobicContact CG2-CG 4.02Å; L835-L864 HydrophobicContact CB-CD2 3.62Å; L835-L864 HydrophobicContact CD1-CD1 4.3Å; L835-L864 HydrophobicContact CD1-CD2 3.97Å; L835-L864 HydrophobicContact CG-CD2 4.47Å; A838-L864 WeakPolarHBondContact CA-O 3.41Å; A839-L864 PolarHBondContact O-N 3.26Å; A839-L864 VanDerWaalsContact O-N 3.16Å; Y841-L864 HydrophobicContact CD2-CD1 3.54Å; Y841-L864 HydrophobicContact CE2-CD1 3.87Å |
| 865 | P | 84.2 | Confident | 89.1 | Confident | 61 Ų | 61 | 48 Ų | 48 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 156.2 | 173.3 | 26.9 | -32.7 | 0 | 0 | 0 | 110.9 | D788 A838 | D788-P865 HydrophobicContact CB-CG 4.46Å; A838-P865 PolarHBondContact N-O 2.99Å |
| 866 | A | 84.2 | Confident | 88.9 | Confident | 32 Ų | 32 | 46.6 Ų | 46.6 | 26% | 0.264 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 147.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A838 N904 A906 I949 | A838-A866 HydrophobicContact CB-CB 4.27Å; A866-N904 VanDerWaalsContact CA-O 3.29Å; A866-N904 WeakPolarHBondContact CA-O 3.42Å; A866-N904 WeakPolarHBondContact CB-O 3.32Å; A866-A906 HydrophobicContact CB-CB 4.19Å; A866-I949 HydrophobicContact CB-CD1 4.47Å; A866-I949 HydrophobicContact CB-CG1 4.39Å |
| 867 | S | 86.3 | Confident | 88.5 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | trans | -118.3 | -174.4 | -179.4 | 70.1 | 0 | 0 | 0 | 0 | 112 | D788 A837 N904 N947 | D788-S867 WeakPolarHBondContact OD2-CB 3.38Å; A837-S867 WeakPolarHBondContact CB-OG 3.39Å; S867-N904 PolarHBondContact N-O 2.93Å; S867-N904 WeakPolarHBondContact OG-CB 3.3Å; S867-N947 PolarHBondContact O-ND2 2.81Å | ||
| 868 | V | 86.4 | Confident | 88 | Confident | 52 Ų | 52 | 49 Ų | 49 | 32% | 0.315 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -70 | 156.2 | 171.7 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | N904 I949 | V868-N904 PolarHBondContact O-ND2 2.92Å; V868-I949 HydrophobicContact CG1-CB 4.34Å; V868-I949 HydrophobicContact CG1-CG2 4.08Å |
| 869 | P | 89.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 161.9 | -178.2 | -18.5 | 33.3 | 0 | 0 | 0 | 112.6 | C902 I908 A945 N947 G952 P953 | P869-C902 WeakPolarHBondContact CA-O 3.26Å; P869-I908 HydrophobicContact CB-CD1 4.05Å; P869-I908 HydrophobicContact CB-CG1 4.05Å; P869-I908 HydrophobicContact CG-CD1 4.41Å; P869-I908 HydrophobicContact CG-CG1 3.85Å; P869-A945 HydrophobicContact CB-CB 3.83Å; P869-A945 HydrophobicContact CG-CB 4.18Å; P869-N947 HydrophobicContact CG-CB 3.79Å; P869-G952 WeakPolarHBondContact O-CA 3.43Å; P869-P953 WeakPolarHBondContact O-CD 3.47Å |
| 870 | D | 87.2 | Confident | 85 | Confident | 76 Ų | 76 | 54 Ų | 54 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 164.1 | 174.6 | -78 | -1.2 | 0 | 0 | 0 | 113.1 | V872 P901 C902 N904 | D870-V872 PolarHBondContact O-N 2.99Å; D870-P901 HydrophobicContact CB-CB 4.13Å; D870-P901 WeakPolarHBondContact O-CB 3.44Å; D870-P901 WeakPolarHBondContact O-CG 3.35Å; D870-C902 HydrophobicContact CB-CB 4.15Å; D870-C902 PolarHBondContact N-O 2.72Å; D870-C902 WeakPolarHBondContact OD2-CB 3.28Å; D870-N904 PolarHBondContact OD1-ND2 3.05Å |
| 871 | A | 88.5 | Confident | 83.1 | Confident | 42 Ų | 42 | 61.2 Ų | 61.2 | 35% | 0.347 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 130.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S873 P953 | A871-S873 PolarHBondContact O-N 3.44Å; A871-S873 VanDerWaalsContact O-N 3.15Å; A871-P953 WeakPolarHBondContact CA-O 3.48Å; A871-P953 HydrophobicContact CB-CB 4.24Å; A871-P953 HydrophobicContact CB-CG 4.01Å |
| 872 | V | 90.5 | Very high | 81.1 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | trans | -63.1 | 115 | 175 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | D870 W898 P901 Y911 I943 A945 S955 | D870-V872 PolarHBondContact O-N 2.99Å; V872-W898 HydrophobicContact CG1-CB 3.63Å; V872-W898 HydrophobicContact CG1-CG 3.99Å; V872-P901 HydrophobicContact CG2-CG 3.9Å; V872-Y911 HydrophobicContact CG2-CD1 4.07Å; V872-Y911 HydrophobicContact CG2-CE1 4Å; V872-I943 HydrophobicContact CB-CG2 3.59Å; V872-I943 HydrophobicContact CG1-CG2 3.71Å; V872-I943 HydrophobicContact CG2-CG2 3.87Å; V872-A945 HydrophobicContact CG2-CB 4.29Å; V872-S955 WeakPolarHBondContact O-CB 3.29Å | ||
| 873 | S | 86.8 | Confident | 79.5 | Confident | 113 Ų | 113 | 69.1 Ų | 69.1 | 79% | 0.79 | 37% | 0.372 | S | S | * | . | trans | -91 | -26 | -173.1 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | A871 | A871-S873 PolarHBondContact O-N 3.44Å; A871-S873 VanDerWaalsContact O-N 3.15Å | ||
| 874 | S | 86.7 | Confident | 77.7 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 23% | 0.231 | 39% | 0.385 | C | S | . | . | trans | -106.3 | 21.2 | -167.9 | 50 | 0 | 0 | 0 | 0 | 115.5 | S876 E899 | S874-S876 PolarHBondContact O-N 3.45Å; S874-E899 VanDerWaalsContact CB-OE2 3.25Å; S874-E899 WeakPolarHBondContact CB-OE2 3.15Å; S874-E899 VanDerWaalsContact OG-CB 3.28Å; S874-E899 WeakPolarHBondContact OG-CB 3.32Å; S874-E899 PolarHBondContact OG-N 2.67Å; S874-E899 PolarHBondContact OG-OE2 2.91Å | ||
| 875 | L | 90.1 | Very high | 75.9 | Confident | 17 Ų | 17 | 74.8 Ų | 74.8 | 9% | 0.089 | 42% | 0.42 | C | S | . | . | trans | -59.3 | 125 | 177.6 | 178.7 | 65.2 | 0 | 0 | 0 | 112.2 | L896 W898 I941 I943 I958 | L875-L896 HydrophobicContact CD1-CB 4.47Å; L875-W898 HydrophobicContact CD1-CB 4.5Å; L875-W898 HydrophobicContact CD1-CE3 3.94Å; L875-I941 HydrophobicContact CD2-CG2 4.4Å; L875-I943 HydrophobicContact CB-CG2 4.18Å; L875-I943 HydrophobicContact CD1-CG2 4.14Å; L875-I943 HydrophobicContact CD2-CB 4.23Å; L875-I943 HydrophobicContact CD2-CG2 3.89Å; L875-I943 HydrophobicContact CG-CG2 4.28Å; L875-I958 HydrophobicContact CD2-CD1 4.15Å; L875-I958 HydrophobicContact CD2-CG1 4.03Å; L875-I958 HydrophobicContact CG-CD1 3.91Å; L875-I958 HydrophobicContact CG-CG1 4.27Å | ||
| 876 | S | 87.6 | Confident | 74.4 | Confident | 46 Ų | 46 | 76.8 Ų | 76.8 | 32% | 0.322 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 170.9 | -174.4 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | S874 L896 N897 | S874-S876 PolarHBondContact O-N 3.45Å; S876-L896 WeakPolarHBondContact O-CA 3.38Å; S876-N897 PolarHBondContact N-O 2.87Å; S876-N897 PolarHBondContact O-N 2.93Å; S876-N897 PolarHBondContact OG-O 2.98Å |
| 877 | V | 85.5 | Confident | 73 | Confident | 47 Ų | 47 | 83.7 Ų | 83.7 | 29% | 0.285 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136 | 173.1 | -169.2 | 0 | 0 | 0 | 0 | 108.8 | L894 V895 L896 I958 A960 | V877-L894 HydrophobicContact CG1-CD2 4.43Å; V877-V895 CarbonylContact C-O 3.49Å; V877-V895 WeakPolarHBondContact CA-O 3.38Å; V877-V895 WeakPolarHBondContact CG1-O 3.38Å; V877-L896 HydrophobicContact CG2-CD2 4.08Å; V877-I958 HydrophobicContact CG2-CD1 3.79Å; V877-A960 HydrophobicContact CG2-CB 3.97Å |
| 878 | L | 82.4 | Confident | 72 | Confident | 80 Ų | 80 | 86 Ų | 86 | 42% | 0.419 | 47% | 0.473 | S | S | . | . | trans | -90.5 | 125.2 | 173 | -70 | 171.9 | 0 | 0 | 0 | 110.6 | V895 N897 T927 | L878-V895 HydrophobicContact CB-CB 4.25Å; L878-V895 HydrophobicContact CB-CG1 4.16Å; L878-V895 HydrophobicContact CD1-CG1 4.05Å; L878-V895 PolarHBondContact N-O 2.85Å; L878-N897 HydrophobicContact CD1-CB 3.86Å; L878-N897 HydrophobicContact CD2-CB 4.42Å; L878-N897 HydrophobicContact CG-CB 3.88Å; L878-T927 HydrophobicContact CD1-CG2 4.06Å | ||
| 879 | E | 66.6 | Low | 71.1 | Confident | 172 Ų | 172 | 85.8 Ų | 85.8 | 80% | 0.804 | 47% | 0.474 | S | S | * | . | trans | -103.9 | -3.3 | -178.2 | -58.9 | -168.7 | 148.7 | 0 | 0 | 114.4 | ||||
| 880 | D | 55.7 | Low | 70.2 | Confident | 96 Ų | 96 | 88.8 Ų | 88.8 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | trans | -84.1 | 146.6 | -167.8 | -162.8 | 1.3 | 0 | 0 | 0 | 113.7 | R882 | D880-R882 PolarHBondContact O-N 2.92Å; D880-R882 IonicContact OD1-NE 2.68Å; D880-R882 WeakPolarHBondContact OD2-CD 3.47Å; D880-R882 IonicContact OD2-CZ 2.93Å; D880-R882 IonicContact OD2-NE 3.81Å; D880-R882 PolarHBondContact OD2-NE 3.11Å; D880-R882 IonicContact OD2-NH2 2.67Å | ||
| 881 | E | 53.5 | Low | 69.6 | Low | 179 Ų | 179 | 85.5 Ų | 85.5 | 84% | 0.836 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 20.6 | -174.4 | -59.2 | -170.9 | 144.5 | 0 | 0 | 113.9 | ||
| 882 | R | 50.3 | Low | 69.1 | Low | 213 Ų | 213 | 85.9 Ų | 85.9 | 80% | 0.804 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -3.6 | -167.1 | -63.1 | -172.1 | -162.2 | -151.6 | 1 | 116 | D880 | D880-R882 PolarHBondContact O-N 2.92Å; D880-R882 IonicContact OD1-NE 2.68Å; D880-R882 WeakPolarHBondContact OD2-CD 3.47Å; D880-R882 IonicContact OD2-CZ 2.93Å; D880-R882 IonicContact OD2-NE 3.81Å; D880-R882 PolarHBondContact OD2-NE 3.11Å; D880-R882 IonicContact OD2-NH2 2.67Å |
| 883 | V | 53.1 | Low | 68.7 | Low | 70 Ų | 70 | 86.6 Ų | 86.6 | 42% | 0.424 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -88.3 | 134.3 | 167 | -164.6 | 0 | 0 | 0 | 0 | 107.6 | A885 I888 | V883-A885 PolarHBondContact O-N 2.89Å; V883-I888 HydrophobicContact CB-CD1 4.15Å; V883-I888 HydrophobicContact CG1-CD1 3.47Å; V883-I888 VanDerWaalsContact CG1-CD1 3.47Å |
| 884 | D | 49.7 | Very low | 68.6 | Low | 139 Ų | 139 | 81.9 Ų | 81.9 | 74% | 0.743 | 45% | 0.445 | S | S | * | . | trans | -43.5 | 99.5 | -168.8 | -88.4 | -55.4 | 0 | 0 | 0 | 113.7 | S886 Q887 | D884-S886 PolarHBondContact O-N 2.84Å; D884-Q887 PolarHBondContact O-N 2.9Å | ||
| 885 | A | 49.5 | Very low | 68.7 | Low | 90 Ų | 90 | 81.1 Ų | 81.1 | 74% | 0.744 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 20.3 | -166 | 0 | 0 | 0 | 0 | 0 | 114.8 | V883 | V883-A885 PolarHBondContact O-N 2.89Š|
| 886 | S | 53.2 | Low | 68.6 | Low | 103 Ų | 103 | 80.3 Ų | 80.3 | 72% | 0.72 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -12 | 177.4 | 65 | 0 | 0 | 0 | 0 | 114 | D884 | D884-S886 PolarHBondContact O-N 2.84Š|
| 887 | Q | 53.5 | Low | 68.7 | Low | 178 Ų | 178 | 80.3 Ų | 80.3 | 83% | 0.832 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | -18.7 | -176.8 | -63.2 | -167.7 | 1.5 | 0 | 0 | 115.7 | D884 | D884-Q887 PolarHBondContact O-N 2.9Š|
| 888 | I | 65.6 | Low | 69.1 | Low | 56 Ų | 56 | 78.2 Ų | 78.2 | 29% | 0.287 | 42% | 0.418 | S | S | . | . | trans | -99.7 | 118.8 | -179.9 | -55.5 | -177.6 | 0 | 0 | 0 | 109.9 | V883 C893 V929 | V883-I888 HydrophobicContact CB-CD1 4.15Å; V883-I888 HydrophobicContact CG1-CD1 3.47Å; V883-I888 VanDerWaalsContact CG1-CD1 3.47Å; I888-C893 HydrophobicContact CG2-CB 3.69Å; I888-V929 HydrophobicContact CD1-CG1 4.32Å; I888-V929 HydrophobicContact CD1-CG2 4.29Å | ||
| 889 | S | 68.4 | Low | 69.4 | Low | 48 Ų | 48 | 80.6 Ų | 80.6 | 34% | 0.336 | 43% | 0.427 | S | S | . | . | trans | -98.2 | 121.1 | 173.9 | 170 | 0 | 0 | 0 | 0 | 110.4 | S891 V892 C893 | S889-S891 PolarHBondContact O-N 3.18Å; S889-S891 PolarHBondContact OG-N 2.8Å; S889-V892 PolarHBondContact O-N 3.27Å; S889-C893 PolarHBondContact O-N 2.86Å | ||
| 890 | P | 69.6 | Low | 70.5 | Confident | 64 Ų | 64 | 77.1 Ų | 77.1 | 42% | 0.416 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -3.4 | 179.6 | 31.1 | -36.8 | 0 | 0 | 0 | 113.2 | R963 | P890-R963 HydrophobicContact CB-CG 4.16Å; P890-R963 PolarHBondContact O-N 2.9Å |
| 891 | S | 74 | Confident | 72 | Confident | 6 Ų | 6 | 73.4 Ų | 73.4 | 4% | 0.042 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -17.8 | 169.8 | -44 | 0 | 0 | 0 | 0 | 113 | S889 P935 R963 P964 | S889-S891 PolarHBondContact O-N 3.18Å; S889-S891 PolarHBondContact OG-N 2.8Å; S891-P935 WeakPolarHBondContact O-CA 3.36Å; S891-P935 WeakPolarHBondContact O-CG 3.42Å; S891-R963 WeakPolarHBondContact CA-O 3.26Å; S891-R963 WeakPolarHBondContact CB-O 3.43Å; S891-P964 WeakPolarHBondContact CB-O 3.4Å; S891-P964 PolarHBondContact OG-O 2.74Å |
| 892 | V | 78.4 | Confident | 73.5 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | 3.5 | -175 | -60.3 | 0 | 0 | 0 | 0 | 114.9 | S889 G932 L933 P935 | S889-V892 PolarHBondContact O-N 3.27Å; V892-G932 PolarHBondContact O-N 2.79Å; V892-L933 VanDerWaalsContact CA-O 3.3Å; V892-L933 WeakPolarHBondContact CA-O 3.31Å; V892-L933 VanDerWaalsContact CB-O 3.29Å; V892-L933 WeakPolarHBondContact CB-O 3.45Å; V892-L933 WeakPolarHBondContact CG1-O 3.43Å; V892-L933 WeakPolarHBondContact O-CB 3.41Å; V892-L933 PolarHBondContact O-N 2.83Å; V892-P935 HydrophobicContact CG1-CG 4.01Å |
| 893 | C | 82.3 | Confident | 75.1 | Confident | 17 Ų | 17 | 61 Ų | 61 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | trans | -132 | 156.4 | 177.4 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | I888 S889 V929 I930 | I888-C893 HydrophobicContact CG2-CB 3.69Å; S889-C893 PolarHBondContact O-N 2.86Å; C893-V929 HydrophobicContact CB-CG1 4.32Å; C893-I930 CarbonylContact C-O 3.58Å; C893-I930 WeakPolarHBondContact CA-O 3.49Å; C893-I930 WeakPolarHBondContact CB-O 3.43Å | ||
| 894 | L | 85.8 | Confident | 76.6 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140.5 | 168.3 | -72.1 | 173.8 | 0 | 0 | 0 | 109.6 | V877 V929 I930 L933 Y939 I941 A960 T962 | V877-L894 HydrophobicContact CG1-CD2 4.43Å; L894-V929 WeakPolarHBondContact O-CA 3.46Å; L894-I930 PolarHBondContact N-O 3.34Å; L894-I930 PolarHBondContact O-N 3.1Å; L894-L933 HydrophobicContact CB-CD1 3.94Å; L894-L933 HydrophobicContact CD1-CD1 3.64Å; L894-L933 HydrophobicContact CG-CD1 3.57Å; L894-Y939 HydrophobicContact CD1-CD2 4.15Å; L894-I941 HydrophobicContact CD1-CD1 4.1Å; L894-A960 HydrophobicContact CD1-CB 3.54Å; L894-A960 HydrophobicContact CD2-CB 4Å; L894-A960 HydrophobicContact CG-CB 4.42Å; L894-T962 HydrophobicContact CG-CG2 4.37Å |
| 895 | V | 87.1 | Confident | 77.9 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.2 | 176.3 | -171.8 | 0 | 0 | 0 | 0 | 108.9 | V877 L878 T927 V929 | V877-V895 CarbonylContact C-O 3.49Å; V877-V895 WeakPolarHBondContact CA-O 3.38Å; V877-V895 WeakPolarHBondContact CG1-O 3.38Å; L878-V895 HydrophobicContact CB-CB 4.25Å; L878-V895 HydrophobicContact CB-CG1 4.16Å; L878-V895 HydrophobicContact CD1-CG1 4.05Å; L878-V895 PolarHBondContact N-O 2.85Å; V895-T927 HydrophobicContact CG1-CG2 4.06Å; V895-V929 HydrophobicContact CG1-CG2 4.36Å; V895-V929 HydrophobicContact CG2-CG1 4.48Å; V895-V929 HydrophobicContact CG2-CG2 4.22Å |
| 896 | L | 89.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 148.5 | 179 | -61.5 | -177.8 | 0 | 0 | 0 | 111.4 | L875 S876 V877 W898 I913 T927 Y928 I930 I941 I958 | L875-L896 HydrophobicContact CD1-CB 4.47Å; S876-L896 WeakPolarHBondContact O-CA 3.38Å; V877-L896 HydrophobicContact CG2-CD2 4.08Å; L896-W898 HydrophobicContact CB-CE3 4.31Å; L896-W898 HydrophobicContact CB-CZ3 3.93Å; L896-I913 HydrophobicContact CD1-CD1 4.27Å; L896-I913 HydrophobicContact CD1-CG2 4.15Å; L896-T927 CarbonylContact O-C 3.55Å; L896-T927 VanDerWaalsContact O-CA 3.29Å; L896-T927 WeakPolarHBondContact O-CA 3.29Å; L896-T927 VanDerWaalsContact O-CG2 3.24Å; L896-T927 WeakPolarHBondContact O-CG2 3.23Å; L896-Y928 PolarHBondContact N-O 2.84Å; L896-Y928 PolarHBondContact O-N 2.96Å; L896-I930 HydrophobicContact CD1-CD1 3.51Å; L896-I930 HydrophobicContact CD1-CG1 4.26Å; L896-I930 HydrophobicContact CG-CD1 4.18Å; L896-I941 HydrophobicContact CD1-CD1 4.33Å; L896-I941 HydrophobicContact CD1-CG2 3.75Å; L896-I941 HydrophobicContact CD2-CD1 3.91Å; L896-I958 HydrophobicContact CD2-CD1 4.12Å |
| 897 | N | 90.3 | Very high | 81 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 142.5 | 176.8 | -170.2 | 83.5 | 0 | 0 | 0 | 111.5 | S876 L878 T926 T927 | S876-N897 PolarHBondContact N-O 2.87Å; S876-N897 PolarHBondContact O-N 2.93Å; S876-N897 PolarHBondContact OG-O 2.98Å; L878-N897 HydrophobicContact CD1-CB 3.86Å; L878-N897 HydrophobicContact CD2-CB 4.42Å; L878-N897 HydrophobicContact CG-CB 3.88Å; N897-T926 CarbonylContact C-O 3.55Å; N897-T926 WeakPolarHBondContact CA-O 3.44Å; N897-T926 PolarHBondContact OD1-O 3.39Å; N897-T927 HydrophobicContact CB-CG2 4.5Å; N897-T927 PolarHBondContact OD1-OG1 2.84Å |
| 898 | W | 92.7 | Very high | 82.7 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.011 | 26% | 0.258 | C | S | . | . | trans | -152.1 | 168.4 | 176.9 | 59.4 | 92.2 | 0 | 0 | 0 | 111 | V872 L875 L896 Y911 I913 V922 V925 T926 I943 | V872-W898 HydrophobicContact CG1-CB 3.63Å; V872-W898 HydrophobicContact CG1-CG 3.99Å; L875-W898 HydrophobicContact CD1-CB 4.5Å; L875-W898 HydrophobicContact CD1-CE3 3.94Å; L896-W898 HydrophobicContact CB-CE3 4.31Å; L896-W898 HydrophobicContact CB-CZ3 3.93Å; W898-Y911 AromaticContact CD1-CE1 3.86Å; W898-Y911 HydrophobicContact CZ2-CD2 4.1Å; W898-Y911 HydrophobicContact CZ2-CG 4.16Å; W898-Y911 AromaticContact NE1-CD1 3.63Å; W898-Y911 AromaticContact NE1-CD2 3.9Å; W898-Y911 AromaticContact NE1-CE1 3.38Å; W898-Y911 AromaticContact NE1-CE2 3.68Å; W898-Y911 AromaticContact NE1-CG 3.89Å; W898-Y911 AromaticContact NE1-CZ 3.42Å; W898-I913 HydrophobicContact CH2-CD1 4.04Å; W898-I913 HydrophobicContact CZ3-CD1 4.3Å; W898-V922 HydrophobicContact CH2-CG2 4.27Å; W898-V922 HydrophobicContact CZ2-CG2 4.24Å; W898-V925 VanDerWaalsContact CE2-O 3.26Å; W898-V925 HydrophobicContact CH2-CG2 4.39Å; W898-V925 HydrophobicContact CZ2-CG2 4.19Å; W898-V925 WeakPolarHBondContact CZ2-O 3.46Å; W898-V925 PolarHBondContact NE1-O 2.82Å; W898-V925 VanDerWaalsContact NE1-O 3.17Å; W898-T926 PolarHBondContact N-O 2.91Å; W898-T926 VanDerWaalsContact O-CB 3.23Å; W898-T926 WeakPolarHBondContact O-CB 3.5Å; W898-T926 WeakPolarHBondContact O-CG2 3.38Å; W898-I943 HydrophobicContact CD2-CD1 3.6Å; W898-I943 HydrophobicContact CE3-CD1 3.79Å; W898-I943 HydrophobicContact CG-CD1 4.3Å; W898-I943 HydrophobicContact CH2-CD1 3.64Å; W898-I943 HydrophobicContact CZ2-CD1 3.42Å; W898-I943 VanDerWaalsContact CZ2-CD1 3.42Å; W898-I943 HydrophobicContact CZ3-CD1 3.82Å | ||
| 899 | E | 89.5 | Confident | 83.8 | Confident | 130 Ų | 130 | 46 Ų | 46 | 61% | 0.607 | 27% | 0.265 | S | S | * | . | trans | -101.9 | 157.2 | 170.1 | -58.3 | 161.4 | 141.1 | 0 | 0 | 110.1 | S874 | S874-E899 VanDerWaalsContact CB-OE2 3.25Å; S874-E899 WeakPolarHBondContact CB-OE2 3.15Å; S874-E899 VanDerWaalsContact OG-CB 3.28Å; S874-E899 WeakPolarHBondContact OG-CB 3.32Å; S874-E899 PolarHBondContact OG-N 2.67Å; S874-E899 PolarHBondContact OG-OE2 2.91Å | ||
| 900 | E | 88.8 | Confident | 84.9 | Confident | 98 Ų | 98 | 45.2 Ų | 45.2 | 46% | 0.458 | 26% | 0.26 | S | S | . | . | trans | -70.7 | 123.9 | 178 | -175.8 | 165.3 | -172.6 | 0 | 0 | 110.3 | I908 Y911 | E900-I908 HydrophobicContact CG-CD1 3.69Å; E900-Y911 WeakPolarHBondContact CG-OH 3.08Å | ||
| 901 | P | 88.6 | Confident | 86 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | trans | -75.3 | 174.4 | 178.6 | 33.4 | -36.9 | 0 | 0 | 0 | 111.4 | D870 V872 N903 I908 A945 | D870-P901 HydrophobicContact CB-CB 4.13Å; D870-P901 WeakPolarHBondContact O-CB 3.44Å; D870-P901 WeakPolarHBondContact O-CG 3.35Å; V872-P901 HydrophobicContact CG2-CG 3.9Å; P901-N903 PolarHBondContact O-N 2.79Å; P901-I908 HydrophobicContact CG-CD1 3.81Å; P901-I908 WeakPolarHBondContact O-CD1 3.46Å; P901-A945 HydrophobicContact CG-CB 3.61Å | ||
| 902 | C | 84.8 | Confident | 86.9 | Confident | 67 Ų | 67 | 43.5 Ų | 43.5 | 45% | 0.453 | 25% | 0.247 | S | C | . | . | trans | -58.5 | 130.3 | 174.1 | -165.6 | 0 | 0 | 0 | 0 | 110.5 | P869 D870 N904 | P869-C902 WeakPolarHBondContact CA-O 3.26Å; D870-C902 HydrophobicContact CB-CB 4.15Å; D870-C902 PolarHBondContact N-O 2.72Å; D870-C902 WeakPolarHBondContact OD2-CB 3.28Å; C902-N904 VanDerWaalsContact C-N 3.33Å; C902-N904 PolarHBondContact SG-OD1 2.78Å | ||
| 903 | N | 84.1 | Confident | 87.5 | Confident | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.342 | 23% | 0.232 | S | C | . | . | trans | -86.7 | -5.3 | -176.5 | 73.9 | 15 | 0 | 0 | 0 | 113.4 | P901 G905 A906 I908 N947 | P901-N903 PolarHBondContact O-N 2.79Å; N903-G905 PolarHBondContact O-N 2.88Å; N903-G905 PolarHBondContact OD1-N 3.18Å; N903-A906 WeakPolarHBondContact CB-O 3.4Å; N903-A906 PolarHBondContact O-N 3.39Å; N903-A906 VanDerWaalsContact O-N 3.11Å; N903-I908 HydrophobicContact CB-CD1 4.06Å; N903-I908 HydrophobicContact CB-CG1 4.03Å; N903-N947 PolarHBondContact O-ND2 3.29Å | ||
| 904 | N | 82.9 | Confident | 87.9 | Confident | 23 Ų | 23 | 40.9 Ų | 40.9 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 34.6 | 178.4 | -61.2 | -24.5 | 0 | 0 | 0 | 114.2 | A837 A838 A866 S867 V868 D870 C902 | A837-N904 HydrophobicContact CB-CB 4.17Å; A838-N904 WeakPolarHBondContact CB-O 3.46Å; A866-N904 VanDerWaalsContact CA-O 3.29Å; A866-N904 WeakPolarHBondContact CA-O 3.42Å; A866-N904 WeakPolarHBondContact CB-O 3.32Å; S867-N904 PolarHBondContact N-O 2.93Å; S867-N904 WeakPolarHBondContact OG-CB 3.3Å; V868-N904 PolarHBondContact O-ND2 2.92Å; D870-N904 PolarHBondContact OD1-ND2 3.05Å; C902-N904 VanDerWaalsContact C-N 3.33Å; C902-N904 PolarHBondContact SG-OD1 2.78Å |
| 905 | G | 77.8 | Confident | 87.8 | Confident | 46 Ų | 46 | 41.4 Ų | 41.4 | 47% | 0.474 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 0.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | A838 N903 | A838-G905 VanDerWaalsContact CB-CA 3.49Å; N903-G905 PolarHBondContact O-N 2.88Å; N903-G905 PolarHBondContact OD1-N 3.18Å |
| 906 | A | 82.8 | Confident | 87.4 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 12% | 0.116 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -135.3 | 129.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A866 N903 N947 I949 | A866-A906 HydrophobicContact CB-CB 4.19Å; N903-A906 WeakPolarHBondContact CB-O 3.4Å; N903-A906 PolarHBondContact O-N 3.39Å; N903-A906 VanDerWaalsContact O-N 3.11Å; A906-N947 HydrophobicContact CB-CB 4.23Å; A906-N947 VanDerWaalsContact O-CB 3.23Å; A906-N947 WeakPolarHBondContact O-CB 3.39Å; A906-N947 PolarHBondContact O-ND2 2.97Å; A906-N947 VanDerWaalsContact O-ND2 3.17Å; A906-I949 HydrophobicContact CB-CG1 4.15Å |
| 907 | E | 85 | Confident | 86.6 | Confident | 161 Ų | 161 | 51.1 Ų | 51.1 | 75% | 0.752 | 30% | 0.295 | S | S | * | . | trans | -58.4 | 139.1 | -169 | -63.7 | -174.9 | 172 | 0 | 0 | 113.5 | T909 N947 | E907-T909 PolarHBondContact O-N 3.42Å; E907-N947 WeakPolarHBondContact O-CA 3.14Å; E907-N947 WeakPolarHBondContact O-CB 3.5Å | ||
| 908 | I | 88.8 | Confident | 86.1 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 117.1 | 178.7 | -68 | 164.6 | 0 | 0 | 0 | 108.8 | P869 E900 P901 N903 Y911 N924 A945 V946 | P869-I908 HydrophobicContact CB-CD1 4.05Å; P869-I908 HydrophobicContact CB-CG1 4.05Å; P869-I908 HydrophobicContact CG-CD1 4.41Å; P869-I908 HydrophobicContact CG-CG1 3.85Å; E900-I908 HydrophobicContact CG-CD1 3.69Å; P901-I908 HydrophobicContact CG-CD1 3.81Å; P901-I908 WeakPolarHBondContact O-CD1 3.46Å; N903-I908 HydrophobicContact CB-CD1 4.06Å; N903-I908 HydrophobicContact CB-CG1 4.03Å; I908-Y911 HydrophobicContact CG2-CE1 4.26Å; I908-Y911 HydrophobicContact CG2-CE2 3.98Å; I908-N924 PolarHBondContact O-ND2 2.9Å; I908-A945 HydrophobicContact CD1-CB 4.2Å; I908-A945 HydrophobicContact CG1-CB 4.46Å; I908-A945 HydrophobicContact CG2-CB 4.19Å; I908-V946 CarbonylContact C-O 3.52Å; I908-V946 WeakPolarHBondContact CA-O 3.18Å |
| 909 | T | 89.6 | Confident | 85.7 | Confident | 71 Ų | 71 | 57 Ų | 57 | 44% | 0.436 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -31.6 | -175.8 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | E907 N924 V946 E948 | E907-T909 PolarHBondContact O-N 3.42Å; T909-N924 PolarHBondContact O-N 2.87Å; T909-V946 PolarHBondContact N-O 3.35Å; T909-V946 PolarHBondContact OG1-O 2.9Å; T909-V946 VanDerWaalsContact OG1-O 3.12Å; T909-E948 HydrophobicContact CG2-CG 4.38Å |
| 910 | S | 91.2 | Very high | 85.6 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 22% | 0.217 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 167.4 | -169.8 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | V922 V946 | S910-V922 VanDerWaalsContact CA-O 3.32Å; S910-V922 WeakPolarHBondContact CA-O 3.35Å; S910-V922 WeakPolarHBondContact CB-O 3.31Å; S910-V946 PolarHBondContact N-O 2.88Å; S910-V946 WeakPolarHBondContact O-CB 3.29Å; S910-V946 PolarHBondContact O-N 3.22Å |
| 911 | Y | 93.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 152.5 | 169.2 | -57.1 | -101.6 | 0 | 0 | 0 | 109.6 | V872 W898 E900 I908 V922 V925 I943 Q944 A945 | V872-Y911 HydrophobicContact CG2-CD1 4.07Å; V872-Y911 HydrophobicContact CG2-CE1 4Å; W898-Y911 AromaticContact CD1-CE1 3.86Å; W898-Y911 HydrophobicContact CZ2-CD2 4.1Å; W898-Y911 HydrophobicContact CZ2-CG 4.16Å; W898-Y911 AromaticContact NE1-CD1 3.63Å; W898-Y911 AromaticContact NE1-CD2 3.9Å; W898-Y911 AromaticContact NE1-CE1 3.38Å; W898-Y911 AromaticContact NE1-CE2 3.68Å; W898-Y911 AromaticContact NE1-CG 3.89Å; W898-Y911 AromaticContact NE1-CZ 3.42Å; E900-Y911 WeakPolarHBondContact CG-OH 3.08Å; I908-Y911 HydrophobicContact CG2-CE1 4.26Å; I908-Y911 HydrophobicContact CG2-CE2 3.98Å; Y911-V922 PolarHBondContact N-O 2.96Å; Y911-V922 WeakPolarHBondContact O-CG2 3.27Å; Y911-V922 PolarHBondContact O-N 2.94Å; Y911-V925 VanDerWaalsContact CE2-O 3.26Å; Y911-V925 WeakPolarHBondContact CE2-O 3.2Å; Y911-I943 HydrophobicContact CD1-CD1 4.06Å; Y911-I943 HydrophobicContact CD1-CG1 4.4Å; Y911-I943 HydrophobicContact CG-CD1 4.11Å; Y911-Q944 CarbonylContact C-O 3.53Å; Y911-Q944 VanDerWaalsContact CA-O 3.23Å; Y911-Q944 WeakPolarHBondContact CA-O 3.39Å; Y911-A945 HydrophobicContact CD1-CB 3.72Å; Y911-A945 HydrophobicContact CE1-CB 3.69Å |
| 912 | N | 91.3 | Very high | 85.5 | Confident | 34 Ų | 34 | 52 Ų | 52 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 114.6 | 168.3 | -64.9 | -72.8 | 0 | 0 | 0 | 109.3 | I943 Q944 V946 | N912-I943 WeakPolarHBondContact O-CA 3.25Å; N912-Q944 HydrophobicContact CB-CG 3.84Å; N912-Q944 PolarHBondContact N-O 2.92Å; N912-Q944 PolarHBondContact O-N 3.14Å; N912-V946 WeakPolarHBondContact ND2-CG2 3.21Å |
| 913 | I | 91.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 142.3 | 170.3 | -57 | 166.5 | 0 | 0 | 0 | 107.7 | L896 W898 S919 I920 V922 Y928 I930 I941 I943 | L896-I913 HydrophobicContact CD1-CD1 4.27Å; L896-I913 HydrophobicContact CD1-CG2 4.15Å; W898-I913 HydrophobicContact CH2-CD1 4.04Å; W898-I913 HydrophobicContact CZ3-CD1 4.3Å; I913-S919 CarbonylContact O-C 3.55Å; I913-S919 WeakPolarHBondContact O-CA 3.39Å; I913-S919 PolarHBondContact O-OG 3.36Å; I913-I920 HydrophobicContact CB-CB 4.45Å; I913-I920 PolarHBondContact N-O 2.93Å; I913-I920 PolarHBondContact O-N 3.34Å; I913-V922 HydrophobicContact CD1-CG1 3.83Å; I913-V922 HydrophobicContact CD1-CG2 4.23Å; I913-V922 HydrophobicContact CG1-CG2 4.44Å; I913-Y928 HydrophobicContact CD1-CD1 3.7Å; I913-Y928 HydrophobicContact CD1-CE1 4.38Å; I913-Y928 HydrophobicContact CD1-CG 4.08Å; I913-I930 HydrophobicContact CG2-CD1 4.32Å; I913-I941 HydrophobicContact CG2-CG2 3.74Å; I913-I943 HydrophobicContact CG1-CD1 3.77Å; I913-I943 HydrophobicContact CG1-CG1 3.86Å |
| 914 | D | 90.3 | Very high | 85.7 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 123.8 | 176.4 | 172.9 | 23.9 | 0 | 0 | 0 | 110.4 | G916 I941 R942 F954 | D914-G916 WeakPolarHBondContact OD1-CA 3.46Å; D914-G916 PolarHBondContact OD1-N 2.88Å; D914-I941 WeakPolarHBondContact O-CA 3.49Å; D914-R942 HydrophobicContact CB-CG 3.91Å; D914-R942 PolarHBondContact N-O 2.96Å; D914-R942 PolarHBondContact O-N 2.66Å; D914-R942 IonicContact OD2-CZ 2.92Å; D914-R942 IonicContact OD2-NE 3.22Å; D914-R942 PolarHBondContact OD2-NE 2.75Å; D914-R942 IonicContact OD2-NH2 3.46Å; D914-R942 PolarHBondContact OD2-NH2 3.08Å; D914-F954 HydrophobicContact CB-CE1 3.71Å; D914-F954 HydrophobicContact CB-CZ 4.21Å |
| 915 | L | 85.4 | Confident | 85.9 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | trans | -99.8 | 1.4 | -179.3 | -76 | 148.6 | 0 | 0 | 0 | 113.1 | I918 I920 I930 Y939 R940 I941 | L915-I918 HydrophobicContact CB-CB 4.43Å; L915-I918 PolarHBondContact N-O 2.93Å; L915-I920 HydrophobicContact CD1-CD1 3.58Å; L915-I920 HydrophobicContact CD1-CG1 4.21Å; L915-I930 HydrophobicContact CD1-CD1 4.27Å; L915-I930 HydrophobicContact CD1-CG2 4.33Å; L915-I930 HydrophobicContact CD2-CD1 4.17Å; L915-I930 HydrophobicContact CG-CD1 4.49Å; L915-Y939 HydrophobicContact CD2-CD1 4.22Å; L915-Y939 HydrophobicContact CD2-CG 4.4Å; L915-R940 CarbonylContact C-O 3.6Å; L915-R940 VanDerWaalsContact CA-O 3.31Å; L915-R940 WeakPolarHBondContact CA-O 3.4Å; L915-I941 HydrophobicContact CD2-CD1 4.2Å; L915-I941 HydrophobicContact CD2-CG1 3.91Å | ||
| 916 | G | 78.1 | Confident | 86.3 | Confident | 47 Ų | 47 | 54 Ų | 54 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 117 | -71.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | D914 | D914-G916 WeakPolarHBondContact OD1-CA 3.46Å; D914-G916 PolarHBondContact OD1-N 2.88Å |
| 917 | D | 72.4 | Confident | 86.5 | Confident | 174 Ų | 174 | 56.3 Ų | 56.3 | 93% | 0.93 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -101.3 | -2.6 | 177.8 | -61.5 | -47.5 | 0 | 0 | 0 | 112.7 | ||
| 918 | I | 79.5 | Confident | 86.6 | Confident | 105 Ų | 105 | 52.2 Ų | 52.2 | 54% | 0.538 | 32% | 0.317 | S | S | . | . | trans | -134.8 | 122.2 | -174.4 | -56.4 | 176.1 | 0 | 0 | 0 | 108.6 | L915 I920 | L915-I918 HydrophobicContact CB-CB 4.43Å; L915-I918 PolarHBondContact N-O 2.93Å; I918-I920 HydrophobicContact CG2-CG1 4.15Å | ||
| 919 | S | 84.9 | Confident | 86.5 | Confident | 66 Ų | 66 | 54.4 Ų | 54.4 | 46% | 0.462 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.3 | 167.2 | -170.2 | 0 | 0 | 0 | 0 | 110.7 | I913 | I913-S919 CarbonylContact O-C 3.55Å; I913-S919 WeakPolarHBondContact O-CA 3.39Å; I913-S919 PolarHBondContact O-OG 3.36Å |
| 920 | I | 87.5 | Confident | 86.4 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 18% | 0.179 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 110.1 | -178.8 | -55.4 | 179 | 0 | 0 | 0 | 107.7 | I913 L915 I918 V922 Y928 I930 | I913-I920 HydrophobicContact CB-CB 4.45Å; I913-I920 PolarHBondContact N-O 2.93Å; I913-I920 PolarHBondContact O-N 3.34Å; L915-I920 HydrophobicContact CD1-CD1 3.58Å; L915-I920 HydrophobicContact CD1-CG1 4.21Å; I918-I920 HydrophobicContact CG2-CG1 4.15Å; I920-V922 HydrophobicContact CG2-CG1 3.98Å; I920-Y928 HydrophobicContact CG2-CE1 4.29Å; I920-I930 HydrophobicContact CD1-CG2 4.32Å |
| 921 | P | 87.3 | Confident | 85.9 | Confident | 97 Ų | 97 | 55.2 Ų | 55.2 | 63% | 0.63 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 130.5 | 168.5 | 30.1 | -32.3 | 0 | 0 | 0 | 109.4 | ||
| 922 | V | 87.4 | Confident | 85.2 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 150.8 | 175 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | W898 S910 Y911 I913 I920 V925 Y928 | W898-V922 HydrophobicContact CH2-CG2 4.27Å; W898-V922 HydrophobicContact CZ2-CG2 4.24Å; S910-V922 VanDerWaalsContact CA-O 3.32Å; S910-V922 WeakPolarHBondContact CA-O 3.35Å; S910-V922 WeakPolarHBondContact CB-O 3.31Å; Y911-V922 PolarHBondContact N-O 2.96Å; Y911-V922 WeakPolarHBondContact O-CG2 3.27Å; Y911-V922 PolarHBondContact O-N 2.94Å; I913-V922 HydrophobicContact CD1-CG1 3.83Å; I913-V922 HydrophobicContact CD1-CG2 4.23Å; I913-V922 HydrophobicContact CG1-CG2 4.44Å; I920-V922 HydrophobicContact CG2-CG1 3.98Å; V922-V925 HydrophobicContact CG2-CG2 4.35Å; V922-Y928 HydrophobicContact CB-CD2 4.16Å; V922-Y928 HydrophobicContact CB-CE2 4.3Å; V922-Y928 HydrophobicContact CG1-CD1 4.11Å; V922-Y928 HydrophobicContact CG1-CD2 3.57Å; V922-Y928 HydrophobicContact CG1-CE1 4.05Å; V922-Y928 HydrophobicContact CG1-CE2 3.49Å; V922-Y928 VanDerWaalsContact CG1-CE2 3.49Å; V922-Y928 HydrophobicContact CG1-CG 3.89Å |
| 923 | G | 85.6 | Confident | 84.9 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 46% | 0.464 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | -178.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V925 | G923-V925 PolarHBondContact O-N 2.71Å |
| 924 | N | 86.8 | Confident | 84.4 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 40% | 0.401 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -66.1 | 97.7 | 169.9 | -170.1 | -8.7 | 0 | 0 | 0 | 110.1 | I908 T909 | I908-N924 PolarHBondContact O-ND2 2.9Å; T909-N924 PolarHBondContact O-N 2.87Å |
| 925 | V | 86.9 | Confident | 83.8 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | trans | -142.7 | 155.3 | 173.9 | -62 | 0 | 0 | 0 | 0 | 108.4 | W898 Y911 V922 G923 | W898-V925 VanDerWaalsContact CE2-O 3.26Å; W898-V925 HydrophobicContact CH2-CG2 4.39Å; W898-V925 HydrophobicContact CZ2-CG2 4.19Å; W898-V925 WeakPolarHBondContact CZ2-O 3.46Å; W898-V925 PolarHBondContact NE1-O 2.82Å; W898-V925 VanDerWaalsContact NE1-O 3.17Å; Y911-V925 VanDerWaalsContact CE2-O 3.26Å; Y911-V925 WeakPolarHBondContact CE2-O 3.2Å; V922-V925 HydrophobicContact CG2-CG2 4.35Å; G923-V925 PolarHBondContact O-N 2.71Å | ||
| 926 | T | 86.8 | Confident | 83.6 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 38% | 0.38 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -103.8 | -8.2 | 175.9 | 42.3 | 0 | 0 | 0 | 0 | 113.6 | N897 W898 | N897-T926 CarbonylContact C-O 3.55Å; N897-T926 WeakPolarHBondContact CA-O 3.44Å; N897-T926 PolarHBondContact OD1-O 3.39Å; W898-T926 PolarHBondContact N-O 2.91Å; W898-T926 VanDerWaalsContact O-CB 3.23Å; W898-T926 WeakPolarHBondContact O-CB 3.5Å; W898-T926 WeakPolarHBondContact O-CG2 3.38Å |
| 927 | T | 86.4 | Confident | 83.7 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 39% | 0.393 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 136.6 | 178.4 | -42 | 0 | 0 | 0 | 0 | 109.5 | L878 V895 L896 N897 | L878-T927 HydrophobicContact CD1-CG2 4.06Å; V895-T927 HydrophobicContact CG1-CG2 4.06Å; L896-T927 CarbonylContact O-C 3.55Å; L896-T927 VanDerWaalsContact O-CA 3.29Å; L896-T927 WeakPolarHBondContact O-CA 3.29Å; L896-T927 VanDerWaalsContact O-CG2 3.24Å; L896-T927 WeakPolarHBondContact O-CG2 3.23Å; N897-T927 HydrophobicContact CB-CG2 4.5Å; N897-T927 PolarHBondContact OD1-OG1 2.84Å |
| 928 | Y | 88.1 | Confident | 84.3 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 29% | 0.29 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 140.4 | 179.8 | -172.7 | -98.1 | 0 | 0 | 0 | 112.4 | L896 I913 I920 V922 I930 | L896-Y928 PolarHBondContact N-O 2.84Å; L896-Y928 PolarHBondContact O-N 2.96Å; I913-Y928 HydrophobicContact CD1-CD1 3.7Å; I913-Y928 HydrophobicContact CD1-CE1 4.38Å; I913-Y928 HydrophobicContact CD1-CG 4.08Å; I920-Y928 HydrophobicContact CG2-CE1 4.29Å; V922-Y928 HydrophobicContact CB-CD2 4.16Å; V922-Y928 HydrophobicContact CB-CE2 4.3Å; V922-Y928 HydrophobicContact CG1-CD1 4.11Å; V922-Y928 HydrophobicContact CG1-CD2 3.57Å; V922-Y928 HydrophobicContact CG1-CE1 4.05Å; V922-Y928 HydrophobicContact CG1-CE2 3.49Å; V922-Y928 VanDerWaalsContact CG1-CE2 3.49Å; V922-Y928 HydrophobicContact CG1-CG 3.89Å; Y928-I930 HydrophobicContact CD1-CG1 3.87Å; Y928-I930 HydrophobicContact CE1-CG1 3.96Å |
| 929 | V | 86.8 | Confident | 84.6 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.5 | 175.5 | -173.9 | 0 | 0 | 0 | 0 | 108.9 | I888 C893 L894 V895 | I888-V929 HydrophobicContact CD1-CG1 4.32Å; I888-V929 HydrophobicContact CD1-CG2 4.29Å; C893-V929 HydrophobicContact CB-CG1 4.32Å; L894-V929 WeakPolarHBondContact O-CA 3.46Å; V895-V929 HydrophobicContact CG1-CG2 4.36Å; V895-V929 HydrophobicContact CG2-CG1 4.48Å; V895-V929 HydrophobicContact CG2-CG2 4.22Å |
| 930 | I | 86.6 | Confident | 84.9 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122 | 168.9 | -54.9 | 173.2 | 0 | 0 | 0 | 107.5 | C893 L894 L896 I913 L915 I920 Y928 L933 I941 | C893-I930 CarbonylContact C-O 3.58Å; C893-I930 WeakPolarHBondContact CA-O 3.49Å; C893-I930 WeakPolarHBondContact CB-O 3.43Å; L894-I930 PolarHBondContact N-O 3.34Å; L894-I930 PolarHBondContact O-N 3.1Å; L896-I930 HydrophobicContact CD1-CD1 3.51Å; L896-I930 HydrophobicContact CD1-CG1 4.26Å; L896-I930 HydrophobicContact CG-CD1 4.18Å; I913-I930 HydrophobicContact CG2-CD1 4.32Å; L915-I930 HydrophobicContact CD1-CD1 4.27Å; L915-I930 HydrophobicContact CD1-CG2 4.33Å; L915-I930 HydrophobicContact CD2-CD1 4.17Å; L915-I930 HydrophobicContact CG-CD1 4.49Å; I920-I930 HydrophobicContact CD1-CG2 4.32Å; Y928-I930 HydrophobicContact CD1-CG1 3.87Å; Y928-I930 HydrophobicContact CE1-CG1 3.96Å; I930-L933 HydrophobicContact CB-CD1 4.45Å; I930-L933 HydrophobicContact CG2-CD1 4.13Å; I930-L933 HydrophobicContact CG2-CD2 3.79Å; I930-L933 HydrophobicContact CG2-CG 4.07Å; I930-I941 HydrophobicContact CD1-CD1 4.44Å |
| 931 | D | 82.1 | Confident | 85 | Confident | 116 Ų | 116 | 64.5 Ų | 64.5 | 62% | 0.62 | 37% | 0.373 | S | S | * | . | trans | -109.1 | -178.5 | 177.8 | 67.9 | -24.6 | 0 | 0 | 0 | 112.2 | L933 | D931-L933 PolarHBondContact O-N 3.44Å; D931-L933 VanDerWaalsContact O-N 3.14Å | ||
| 932 | G | 78.4 | Confident | 85.2 | Confident | 71 Ų | 71 | 63 Ų | 63 | 73% | 0.732 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 68.8 | 10.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | V892 | V892-G932 PolarHBondContact O-N 2.79Š|
| 933 | L | 83.9 | Confident | 85.5 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -73 | 148 | -177.7 | -57.4 | 176.8 | 0 | 0 | 0 | 111.6 | V892 L894 I930 D931 Y939 T962 | V892-L933 VanDerWaalsContact CA-O 3.3Å; V892-L933 WeakPolarHBondContact CA-O 3.31Å; V892-L933 VanDerWaalsContact CB-O 3.29Å; V892-L933 WeakPolarHBondContact CB-O 3.45Å; V892-L933 WeakPolarHBondContact CG1-O 3.43Å; V892-L933 WeakPolarHBondContact O-CB 3.41Å; V892-L933 PolarHBondContact O-N 2.83Å; L894-L933 HydrophobicContact CB-CD1 3.94Å; L894-L933 HydrophobicContact CD1-CD1 3.64Å; L894-L933 HydrophobicContact CG-CD1 3.57Å; I930-L933 HydrophobicContact CB-CD1 4.45Å; I930-L933 HydrophobicContact CG2-CD1 4.13Å; I930-L933 HydrophobicContact CG2-CD2 3.79Å; I930-L933 HydrophobicContact CG2-CG 4.07Å; D931-L933 PolarHBondContact O-N 3.44Å; D931-L933 VanDerWaalsContact O-N 3.14Å; L933-Y939 HydrophobicContact CB-CE2 4Å; L933-Y939 HydrophobicContact CD1-CD2 4.36Å; L933-Y939 HydrophobicContact CD1-CE2 4.18Å; L933-Y939 HydrophobicContact CD2-CD1 4.3Å; L933-Y939 HydrophobicContact CD2-CE1 3.85Å; L933-Y939 HydrophobicContact CD2-CE2 4.16Å; L933-Y939 HydrophobicContact CG-CE2 4.35Å; L933-T962 HydrophobicContact CB-CG2 3.98Å; L933-T962 HydrophobicContact CD1-CG2 4.11Å |
| 934 | L | 80.7 | Confident | 85.9 | Confident | 117 Ų | 117 | 61.9 Ų | 61.9 | 61% | 0.613 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 140.7 | 171.5 | -62.5 | 176.3 | 0 | 0 | 0 | 111.2 | T937 Y939 T962 | L934-T937 WeakPolarHBondContact CB-OG1 3.37Å; L934-T937 WeakPolarHBondContact O-CB 3.38Å; L934-Y939 PolarHBondContact N-OH 2.86Å; L934-Y939 PolarHBondContact O-OH 2.93Å; L934-T962 PolarHBondContact O-OG1 3.2Å |
| 935 | P | 78.7 | Confident | 86.1 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 29% | 0.286 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 156.3 | 170.3 | -24.1 | 34.1 | 0 | 0 | 0 | 114.4 | S891 V892 T937 L965 | S891-P935 WeakPolarHBondContact O-CA 3.36Å; S891-P935 WeakPolarHBondContact O-CG 3.42Å; V892-P935 HydrophobicContact CG1-CG 4.01Å; P935-T937 PolarHBondContact O-N 3.02Å; P935-T937 PolarHBondContact O-OG1 2.91Å; P935-L965 HydrophobicContact CB-CG 4.46Å; P935-L965 HydrophobicContact CG-CD1 4.42Å; P935-L965 HydrophobicContact CG-CD2 4.44Å; P935-L965 HydrophobicContact CG-CG 4.27Å |
| 936 | E | 80.5 | Confident | 86.3 | Confident | 109 Ų | 109 | 56.5 Ų | 56.5 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 17.6 | -179.2 | -119.5 | -144.3 | 109 | 0 | 0 | 116.3 | K961 T962 R963 P964 | E936-K961 VanDerWaalsContact C-CE 3.48Å; E936-K961 WeakPolarHBondContact O-CE 3.19Å; E936-K961 IonicContact OE1-NZ 2.72Å; E936-K961 PolarHBondContact OE1-NZ 2.75Å; E936-T962 WeakPolarHBondContact CA-O 3.28Å; E936-T962 PolarHBondContact N-OG1 2.94Å; E936-T962 VanDerWaalsContact N-OG1 3.14Å; E936-R963 PolarHBondContact N-O 2.96Å; E936-P964 HydrophobicContact CG-CB 4.27Å |
| 937 | T | 80.4 | Confident | 86.4 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 28% | 0.282 | 29% | 0.29 | S | S | . | . | trans | -104.9 | 139.6 | -168.6 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | L934 P935 Y939 K961 T962 | L934-T937 WeakPolarHBondContact CB-OG1 3.37Å; L934-T937 WeakPolarHBondContact O-CB 3.38Å; P935-T937 PolarHBondContact O-N 3.02Å; P935-T937 PolarHBondContact O-OG1 2.91Å; T937-Y939 HydrophobicContact CG2-CE1 4.14Å; T937-Y939 HydrophobicContact CG2-CE2 3.81Å; T937-Y939 WeakPolarHBondContact CG2-OH 3.47Å; T937-Y939 WeakPolarHBondContact O-CD2 3.36Å; T937-Y939 WeakPolarHBondContact O-CE2 3.19Å; T937-K961 WeakPolarHBondContact O-CA 3.46Å; T937-T962 PolarHBondContact N-OG1 2.71Å; T937-T962 PolarHBondContact O-N 2.97Å; T937-T962 VanDerWaalsContact O-N 3.1Å; T937-T962 PolarHBondContact O-OG1 3.41Å | ||
| 938 | S | 84.8 | Confident | 86.4 | Confident | 88 Ų | 88 | 59.1 Ų | 59.1 | 62% | 0.615 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 119.4 | -178.1 | -60.3 | 0 | 0 | 0 | 0 | 112 | A960 K961 | S938-A960 CarbonylContact C-O 3.44Å; S938-A960 VanDerWaalsContact CA-O 3.3Å; S938-A960 WeakPolarHBondContact CA-O 3.42Å; S938-K961 WeakPolarHBondContact OG-CG 3.26Å |
| 939 | Y | 86.6 | Confident | 86.4 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 153.4 | 179.7 | -58.5 | -88 | 0 | 0 | 0 | 111.2 | L894 L915 L933 L934 T937 K959 A960 T962 | L894-Y939 HydrophobicContact CD1-CD2 4.15Å; L915-Y939 HydrophobicContact CD2-CD1 4.22Å; L915-Y939 HydrophobicContact CD2-CG 4.4Å; L933-Y939 HydrophobicContact CB-CE2 4Å; L933-Y939 HydrophobicContact CD1-CD2 4.36Å; L933-Y939 HydrophobicContact CD1-CE2 4.18Å; L933-Y939 HydrophobicContact CD2-CD1 4.3Å; L933-Y939 HydrophobicContact CD2-CE1 3.85Å; L933-Y939 HydrophobicContact CD2-CE2 4.16Å; L933-Y939 HydrophobicContact CG-CE2 4.35Å; L934-Y939 PolarHBondContact N-OH 2.86Å; L934-Y939 PolarHBondContact O-OH 2.93Å; T937-Y939 HydrophobicContact CG2-CE1 4.14Å; T937-Y939 HydrophobicContact CG2-CE2 3.81Å; T937-Y939 WeakPolarHBondContact CG2-OH 3.47Å; T937-Y939 WeakPolarHBondContact O-CD2 3.36Å; T937-Y939 WeakPolarHBondContact O-CE2 3.19Å; Y939-K959 WeakPolarHBondContact O-CA 3.24Å; Y939-A960 PolarHBondContact N-O 3.21Å; Y939-A960 PolarHBondContact O-N 2.93Å; Y939-A960 VanDerWaalsContact O-N 3.12Å; Y939-T962 HydrophobicContact CE2-CG2 4.14Å |
| 940 | R | 89.8 | Confident | 86.3 | Confident | 167 Ų | 167 | 58.9 Ų | 58.9 | 63% | 0.63 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.1 | 168.8 | -64 | -178.8 | -173.2 | 176 | 3.1 | 107.5 | L915 F957 I958 K959 | L915-R940 CarbonylContact C-O 3.6Å; L915-R940 VanDerWaalsContact CA-O 3.31Å; L915-R940 WeakPolarHBondContact CA-O 3.4Å; R940-F957 HydrophobicContact CB-CD1 4.14Å; R940-I958 WeakPolarHBondContact CA-O 3.41Å; R940-K959 HydrophobicContact CG-CG 4.44Å |
| 941 | I | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 133.5 | -169.3 | -47.5 | 179.2 | 0 | 0 | 0 | 109.3 | L875 L894 L896 I913 D914 L915 I930 F957 I958 A960 | L875-I941 HydrophobicContact CD2-CG2 4.4Å; L894-I941 HydrophobicContact CD1-CD1 4.1Å; L896-I941 HydrophobicContact CD1-CD1 4.33Å; L896-I941 HydrophobicContact CD1-CG2 3.75Å; L896-I941 HydrophobicContact CD2-CD1 3.91Å; I913-I941 HydrophobicContact CG2-CG2 3.74Å; D914-I941 WeakPolarHBondContact O-CA 3.49Å; L915-I941 HydrophobicContact CD2-CD1 4.2Å; L915-I941 HydrophobicContact CD2-CG1 3.91Å; I930-I941 HydrophobicContact CD1-CD1 4.44Å; I941-F957 CarbonylContact O-C 3.57Å; I941-F957 WeakPolarHBondContact O-CA 3.41Å; I941-I958 HydrophobicContact CB-CD1 4.36Å; I941-I958 HydrophobicContact CB-CG1 3.85Å; I941-I958 PolarHBondContact N-O 3.24Å; I941-I958 WeakPolarHBondContact O-CG1 3.48Å; I941-I958 PolarHBondContact O-N 3.45Å; I941-A960 HydrophobicContact CD1-CB 4.27Å |
| 942 | R | 92.1 | Very high | 86.6 | Confident | 67 Ų | 67 | 55.6 Ų | 55.6 | 25% | 0.253 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 165.3 | 167 | 61.6 | 179 | 179.1 | 147.7 | 7.1 | 109.8 | D914 F954 S955 F957 | D914-R942 HydrophobicContact CB-CG 3.91Å; D914-R942 PolarHBondContact N-O 2.96Å; D914-R942 PolarHBondContact O-N 2.66Å; D914-R942 IonicContact OD2-CZ 2.92Å; D914-R942 IonicContact OD2-NE 3.22Å; D914-R942 PolarHBondContact OD2-NE 2.75Å; D914-R942 IonicContact OD2-NH2 3.46Å; D914-R942 PolarHBondContact OD2-NH2 3.08Å; R942-F954 HydrophobicContact CB-CD1 4.38Å; R942-F954 HydrophobicContact CG-CB 4.42Å; R942-F954 HydrophobicContact CG-CD1 3.68Å; R942-F954 HydrophobicContact CG-CE1 4.2Å; R942-F954 HydrophobicContact CG-CG 4.27Å; R942-S955 WeakPolarHBondContact CA-OG 3.4Å; R942-S955 WeakPolarHBondContact CB-OG 3.26Å; R942-F957 HydrophobicContact CB-CD1 3.95Å; R942-F957 HydrophobicContact CB-CE1 4.21Å; R942-F957 HydrophobicContact CB-CG 4.4Å; R942-F957 VanDerWaalsContact CD-CE1 3.46Å; R942-F957 VanDerWaalsContact CD-CZ 3.44Å; R942-F957 HydrophobicContact CG-CD1 3.95Å; R942-F957 HydrophobicContact CG-CE1 3.68Å; R942-F957 HydrophobicContact CG-CZ 4.2Å |
| 943 | I | 93.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 144.7 | -178.5 | -164.6 | 176.6 | 0 | 0 | 0 | 111.1 | V872 L875 W898 Y911 N912 I913 F954 S955 | V872-I943 HydrophobicContact CB-CG2 3.59Å; V872-I943 HydrophobicContact CG1-CG2 3.71Å; V872-I943 HydrophobicContact CG2-CG2 3.87Å; L875-I943 HydrophobicContact CB-CG2 4.18Å; L875-I943 HydrophobicContact CD1-CG2 4.14Å; L875-I943 HydrophobicContact CD2-CB 4.23Å; L875-I943 HydrophobicContact CD2-CG2 3.89Å; L875-I943 HydrophobicContact CG-CG2 4.28Å; W898-I943 HydrophobicContact CD2-CD1 3.6Å; W898-I943 HydrophobicContact CE3-CD1 3.79Å; W898-I943 HydrophobicContact CG-CD1 4.3Å; W898-I943 HydrophobicContact CH2-CD1 3.64Å; W898-I943 HydrophobicContact CZ2-CD1 3.42Å; W898-I943 VanDerWaalsContact CZ2-CD1 3.42Å; W898-I943 HydrophobicContact CZ3-CD1 3.82Å; Y911-I943 HydrophobicContact CD1-CD1 4.06Å; Y911-I943 HydrophobicContact CD1-CG1 4.4Å; Y911-I943 HydrophobicContact CG-CD1 4.11Å; N912-I943 WeakPolarHBondContact O-CA 3.25Å; I913-I943 HydrophobicContact CG1-CD1 3.77Å; I913-I943 HydrophobicContact CG1-CG1 3.86Å; I943-F954 CarbonylContact O-C 3.5Å; I943-F954 WeakPolarHBondContact O-CA 3.36Å; I943-S955 PolarHBondContact N-OG 2.62Å; I943-S955 WeakPolarHBondContact O-CB 3.28Å; I943-S955 PolarHBondContact O-N 2.88Å |
| 944 | Q | 92.9 | Very high | 87.5 | Confident | 31 Ų | 31 | 57.9 Ų | 57.9 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 142.9 | 169.2 | 60.8 | -176.8 | 12.6 | 0 | 0 | 110 | Y911 N912 G952 F954 | Y911-Q944 CarbonylContact C-O 3.53Å; Y911-Q944 VanDerWaalsContact CA-O 3.23Å; Y911-Q944 WeakPolarHBondContact CA-O 3.39Å; N912-Q944 HydrophobicContact CB-CG 3.84Å; N912-Q944 PolarHBondContact N-O 2.92Å; N912-Q944 PolarHBondContact O-N 3.14Å; Q944-G952 WeakPolarHBondContact CB-O 3.31Å; Q944-G952 PolarHBondContact OE1-O 3Å; Q944-F954 HydrophobicContact CB-CD1 3.81Å; Q944-F954 HydrophobicContact CB-CD2 4.48Å; Q944-F954 HydrophobicContact CB-CE1 4.16Å; Q944-F954 HydrophobicContact CB-CG 4Å; Q944-F954 VanDerWaalsContact CD-CZ 3.43Å; Q944-F954 HydrophobicContact CG-CD1 3.9Å; Q944-F954 HydrophobicContact CG-CE1 3.7Å; Q944-F954 HydrophobicContact CG-CE2 4.36Å; Q944-F954 HydrophobicContact CG-CG 4.32Å; Q944-F954 HydrophobicContact CG-CZ 3.97Å |
| 945 | A | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 160.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P869 V872 P901 I908 Y911 G952 | P869-A945 HydrophobicContact CB-CB 3.83Å; P869-A945 HydrophobicContact CG-CB 4.18Å; V872-A945 HydrophobicContact CG2-CB 4.29Å; P901-A945 HydrophobicContact CG-CB 3.61Å; I908-A945 HydrophobicContact CD1-CB 4.2Å; I908-A945 HydrophobicContact CG1-CB 4.46Å; I908-A945 HydrophobicContact CG2-CB 4.19Å; Y911-A945 HydrophobicContact CD1-CB 3.72Å; Y911-A945 HydrophobicContact CE1-CB 3.69Å; A945-G952 PolarHBondContact O-N 3.24Å |
| 946 | V | 90.6 | Very high | 88.4 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 13% | 0.127 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 130.2 | -177.7 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | I908 T909 S910 N912 G950 A951 | I908-V946 CarbonylContact C-O 3.52Å; I908-V946 WeakPolarHBondContact CA-O 3.18Å; T909-V946 PolarHBondContact N-O 3.35Å; T909-V946 PolarHBondContact OG1-O 2.9Å; T909-V946 VanDerWaalsContact OG1-O 3.12Å; S910-V946 PolarHBondContact N-O 2.88Å; S910-V946 WeakPolarHBondContact O-CB 3.29Å; S910-V946 PolarHBondContact O-N 3.22Å; N912-V946 WeakPolarHBondContact ND2-CG2 3.21Å; V946-G950 WeakPolarHBondContact CA-O 3.42Å; V946-A951 HydrophobicContact CG2-CB 4.07Å |
| 947 | N | 89.8 | Confident | 88.8 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.027 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | -171.3 | 170.4 | 67.9 | 10.9 | 0 | 0 | 0 | 111 | S867 P869 N903 A906 E907 I949 G950 | S867-N947 PolarHBondContact O-ND2 2.81Å; P869-N947 HydrophobicContact CG-CB 3.79Å; N903-N947 PolarHBondContact O-ND2 3.29Å; A906-N947 HydrophobicContact CB-CB 4.23Å; A906-N947 VanDerWaalsContact O-CB 3.23Å; A906-N947 WeakPolarHBondContact O-CB 3.39Å; A906-N947 PolarHBondContact O-ND2 2.97Å; A906-N947 VanDerWaalsContact O-ND2 3.17Å; E907-N947 WeakPolarHBondContact O-CA 3.14Å; E907-N947 WeakPolarHBondContact O-CB 3.5Å; N947-I949 PolarHBondContact O-N 3.3Å; N947-I949 WeakPolarHBondContact OD1-CA 3.4Å; N947-I949 WeakPolarHBondContact OD1-CB 3.48Å; N947-I949 PolarHBondContact OD1-N 3.29Å; N947-G950 PolarHBondContact N-O 3.06Å; N947-G950 PolarHBondContact O-N 3.06Å; N947-G950 PolarHBondContact OD1-N 3.43Å; N947-G950 PolarHBondContact OD1-O 2.76Å |
| 948 | E | 86.4 | Confident | 89.2 | Confident | 176 Ų | 176 | 59.4 Ų | 59.4 | 82% | 0.822 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -63.9 | -20.2 | 179 | -60 | -164.5 | 139.9 | 0 | 0 | 114.2 | T909 | T909-E948 HydrophobicContact CG2-CG 4.38Š|
| 949 | I | 86.9 | Confident | 89.3 | Confident | 98 Ų | 98 | 63.2 Ų | 63.2 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -79.9 | -38.1 | 175.8 | -50 | -59 | 0 | 0 | 0 | 110.6 | A866 V868 A906 N947 | A866-I949 HydrophobicContact CB-CD1 4.47Å; A866-I949 HydrophobicContact CB-CG1 4.39Å; V868-I949 HydrophobicContact CG1-CB 4.34Å; V868-I949 HydrophobicContact CG1-CG2 4.08Å; A906-I949 HydrophobicContact CB-CG1 4.15Å; N947-I949 PolarHBondContact O-N 3.3Å; N947-I949 WeakPolarHBondContact OD1-CA 3.4Å; N947-I949 WeakPolarHBondContact OD1-CB 3.48Å; N947-I949 PolarHBondContact OD1-N 3.29Å |
| 950 | G | 85.6 | Confident | 89.2 | Confident | 23 Ų | 23 | 62 Ų | 62 | 24% | 0.237 | 30% | 0.304 | C | S | . | . | trans | 157.1 | -164.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V946 N947 | V946-G950 WeakPolarHBondContact CA-O 3.42Å; N947-G950 PolarHBondContact N-O 3.06Å; N947-G950 PolarHBondContact O-N 3.06Å; N947-G950 PolarHBondContact OD1-N 3.43Å; N947-G950 PolarHBondContact OD1-O 2.76Å | ||
| 951 | A | 87 | Confident | 88.8 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -83.1 | 130.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | V946 | V946-A951 HydrophobicContact CG2-CB 4.07Å |
| 952 | G | 88.8 | Confident | 88.3 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | trans | -73.3 | 179.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P869 Q944 A945 | P869-G952 WeakPolarHBondContact O-CA 3.43Å; Q944-G952 WeakPolarHBondContact CB-O 3.31Å; Q944-G952 PolarHBondContact OE1-O 3Å; A945-G952 PolarHBondContact O-N 3.24Å | ||
| 953 | P | 90.1 | Very high | 87.5 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 148.8 | 176.1 | 16.8 | -11.8 | 0 | 0 | 0 | 112.1 | P869 A871 | P869-P953 WeakPolarHBondContact O-CD 3.47Å; A871-P953 WeakPolarHBondContact CA-O 3.48Å; A871-P953 HydrophobicContact CB-CB 4.24Å; A871-P953 HydrophobicContact CB-CG 4.01Å |
| 954 | F | 90.4 | Very high | 86.5 | Confident | 59 Ų | 59 | 64.5 Ų | 64.5 | 26% | 0.259 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 145.1 | 173.1 | -78 | -82.2 | 0 | 0 | 0 | 112.8 | D914 R942 I943 Q944 | D914-F954 HydrophobicContact CB-CE1 3.71Å; D914-F954 HydrophobicContact CB-CZ 4.21Å; R942-F954 HydrophobicContact CB-CD1 4.38Å; R942-F954 HydrophobicContact CG-CB 4.42Å; R942-F954 HydrophobicContact CG-CD1 3.68Å; R942-F954 HydrophobicContact CG-CE1 4.2Å; R942-F954 HydrophobicContact CG-CG 4.27Å; I943-F954 CarbonylContact O-C 3.5Å; I943-F954 WeakPolarHBondContact O-CA 3.36Å; Q944-F954 HydrophobicContact CB-CD1 3.81Å; Q944-F954 HydrophobicContact CB-CD2 4.48Å; Q944-F954 HydrophobicContact CB-CE1 4.16Å; Q944-F954 HydrophobicContact CB-CG 4Å; Q944-F954 VanDerWaalsContact CD-CZ 3.43Å; Q944-F954 HydrophobicContact CG-CD1 3.9Å; Q944-F954 HydrophobicContact CG-CE1 3.7Å; Q944-F954 HydrophobicContact CG-CE2 4.36Å; Q944-F954 HydrophobicContact CG-CG 4.32Å; Q944-F954 HydrophobicContact CG-CZ 3.97Å |
| 955 | S | 91.6 | Very high | 85.5 | Confident | 10 Ų | 10 | 68 Ų | 68 | 7% | 0.07 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 165.5 | 165 | 78 | 0 | 0 | 0 | 0 | 112.7 | V872 R942 I943 | V872-S955 WeakPolarHBondContact O-CB 3.29Å; R942-S955 WeakPolarHBondContact CA-OG 3.4Å; R942-S955 WeakPolarHBondContact CB-OG 3.26Å; I943-S955 PolarHBondContact N-OG 2.62Å; I943-S955 WeakPolarHBondContact O-CB 3.28Å; I943-S955 PolarHBondContact O-N 2.88Å |
| 956 | H | 87 | Confident | 84.6 | Confident | 178 Ų | 178 | 71.2 Ų | 71.2 | 82% | 0.824 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 155 | 161.1 | -61.7 | -46 | 0 | 0 | 0 | 111.6 | ||
| 957 | F | 88.6 | Confident | 83.8 | Confident | 121 Ų | 121 | 70.9 Ų | 70.9 | 53% | 0.531 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 123 | 177.8 | -75.6 | -79.7 | 0 | 0 | 0 | 111.9 | R940 I941 R942 | R940-F957 HydrophobicContact CB-CD1 4.14Å; I941-F957 CarbonylContact O-C 3.57Å; I941-F957 WeakPolarHBondContact O-CA 3.41Å; R942-F957 HydrophobicContact CB-CD1 3.95Å; R942-F957 HydrophobicContact CB-CE1 4.21Å; R942-F957 HydrophobicContact CB-CG 4.4Å; R942-F957 VanDerWaalsContact CD-CE1 3.46Å; R942-F957 VanDerWaalsContact CD-CZ 3.44Å; R942-F957 HydrophobicContact CG-CD1 3.95Å; R942-F957 HydrophobicContact CG-CE1 3.68Å; R942-F957 HydrophobicContact CG-CZ 4.2Å |
| 958 | I | 88.6 | Confident | 83.1 | Confident | 39 Ų | 39 | 78 Ų | 78 | 20% | 0.2 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 167.6 | 161.5 | 64.8 | 163.8 | 0 | 0 | 0 | 111 | L875 V877 L896 R940 I941 | L875-I958 HydrophobicContact CD2-CD1 4.15Å; L875-I958 HydrophobicContact CD2-CG1 4.03Å; L875-I958 HydrophobicContact CG-CD1 3.91Å; L875-I958 HydrophobicContact CG-CG1 4.27Å; V877-I958 HydrophobicContact CG2-CD1 3.79Å; L896-I958 HydrophobicContact CD2-CD1 4.12Å; R940-I958 WeakPolarHBondContact CA-O 3.41Å; I941-I958 HydrophobicContact CB-CD1 4.36Å; I941-I958 HydrophobicContact CB-CG1 3.85Å; I941-I958 PolarHBondContact N-O 3.24Å; I941-I958 WeakPolarHBondContact O-CG1 3.48Å; I941-I958 PolarHBondContact O-N 3.45Å |
| 959 | K | 86.9 | Confident | 82.5 | Confident | 169 Ų | 169 | 72.4 Ų | 72.4 | 74% | 0.735 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 136.3 | 175.5 | -66.2 | 173.3 | -173.4 | 165 | 0 | 109.7 | Y939 R940 | Y939-K959 WeakPolarHBondContact O-CA 3.24Å; R940-K959 HydrophobicContact CG-CG 4.44Å |
| 960 | A | 83.9 | Confident | 82.1 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 146.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V877 L894 S938 Y939 I941 | V877-A960 HydrophobicContact CG2-CB 3.97Å; L894-A960 HydrophobicContact CD1-CB 3.54Å; L894-A960 HydrophobicContact CD2-CB 4Å; L894-A960 HydrophobicContact CG-CB 4.42Å; S938-A960 CarbonylContact C-O 3.44Å; S938-A960 VanDerWaalsContact CA-O 3.3Å; S938-A960 WeakPolarHBondContact CA-O 3.42Å; Y939-A960 PolarHBondContact N-O 3.21Å; Y939-A960 PolarHBondContact O-N 2.93Å; Y939-A960 VanDerWaalsContact O-N 3.12Å; I941-A960 HydrophobicContact CD1-CB 4.27Å |
| 961 | K | 82.4 | Confident | 81.9 | Confident | 111 Ų | 111 | 75.2 Ų | 75.2 | 48% | 0.483 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.8 | 178.3 | -168.1 | -169.3 | 178.3 | -169.9 | 0 | 110.8 | E936 T937 S938 | E936-K961 VanDerWaalsContact C-CE 3.48Å; E936-K961 WeakPolarHBondContact O-CE 3.19Å; E936-K961 IonicContact OE1-NZ 2.72Å; E936-K961 PolarHBondContact OE1-NZ 2.75Å; T937-K961 WeakPolarHBondContact O-CA 3.46Å; S938-K961 WeakPolarHBondContact OG-CG 3.26Å |
| 962 | T | 80.9 | Confident | 81.9 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | trans | -75.3 | 155.8 | 172.2 | 49.9 | 0 | 0 | 0 | 0 | 112 | L894 L933 L934 E936 T937 Y939 | L894-T962 HydrophobicContact CG-CG2 4.37Å; L933-T962 HydrophobicContact CB-CG2 3.98Å; L933-T962 HydrophobicContact CD1-CG2 4.11Å; L934-T962 PolarHBondContact O-OG1 3.2Å; E936-T962 WeakPolarHBondContact CA-O 3.28Å; E936-T962 PolarHBondContact N-OG1 2.94Å; E936-T962 VanDerWaalsContact N-OG1 3.14Å; T937-T962 PolarHBondContact N-OG1 2.71Å; T937-T962 PolarHBondContact O-N 2.97Å; T937-T962 VanDerWaalsContact O-N 3.1Å; T937-T962 PolarHBondContact O-OG1 3.41Å; Y939-T962 HydrophobicContact CE2-CG2 4.14Å | ||
| 963 | R | 75.2 | Confident | 81.8 | Confident | 129 Ų | 129 | 77.3 Ų | 77.3 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | trans | -78.5 | 161.2 | 179.7 | -63.2 | -166.8 | -171.2 | -177.7 | 6.1 | 112.4 | P890 S891 E936 | P890-R963 HydrophobicContact CB-CG 4.16Å; P890-R963 PolarHBondContact O-N 2.9Å; S891-R963 WeakPolarHBondContact CA-O 3.26Å; S891-R963 WeakPolarHBondContact CB-O 3.43Å; E936-R963 PolarHBondContact N-O 2.96Å | ||
| 964 | P | 71.9 | Confident | 81.5 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 29% | 0.286 | 37% | 0.367 | S | S | . | . | trans | -68.6 | -177.5 | 169 | 28.8 | -35.4 | 0 | 0 | 0 | 112.3 | S891 E936 A1044 | S891-P964 WeakPolarHBondContact CB-O 3.4Å; S891-P964 PolarHBondContact OG-O 2.74Å; E936-P964 HydrophobicContact CG-CB 4.27Å; P964-A1044 HydrophobicContact CG-CB 4.45Å; P964-A1044 WeakPolarHBondContact O-CB 3.2Å | ||
| 965 | L | 71.9 | Confident | 81.3 | Confident | 104 Ų | 104 | 75.9 Ų | 75.9 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -98.7 | 155.5 | 175.5 | -69.1 | 171 | 0 | 0 | 0 | 112.4 | P935 N1042 A1044 | P935-L965 HydrophobicContact CB-CG 4.46Å; P935-L965 HydrophobicContact CG-CD1 4.42Å; P935-L965 HydrophobicContact CG-CD2 4.44Å; P935-L965 HydrophobicContact CG-CG 4.27Å; L965-N1042 PolarHBondContact O-ND2 3.44Å; L965-A1044 VanDerWaalsContact C-CB 3.5Å |
| 966 | P | 72.4 | Confident | 80.9 | Confident | 69 Ų | 69 | 77.9 Ų | 77.9 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 155.5 | 173.9 | -22.5 | 33.8 | 0 | 0 | 0 | 113.5 | A1044 | P966-A1044 HydrophobicContact CG-CB 4.15Š|
| 967 | P | 73.9 | Confident | 80.7 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 154.2 | -172 | 34.1 | -33.6 | 0 | 0 | 0 | 113.2 | M999 A1040 N1042 G1047 | P967-M999 HydrophobicContact CB-CE 4.35Å; P967-A1040 HydrophobicContact CB-CB 4.33Å; P967-A1040 HydrophobicContact CG-CB 4.15Å; P967-N1042 WeakPolarHBondContact CD-OD1 3.4Å; P967-N1042 HydrophobicContact CG-CB 4.46Å; P967-G1047 WeakPolarHBondContact O-CA 3.38Å |
| 968 | L | 73.7 | Confident | 80.5 | Confident | 154 Ų | 154 | 66.8 Ų | 66.8 | 81% | 0.806 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -78 | 155.8 | 175 | -72.3 | 175.1 | 0 | 0 | 0 | 112.3 | ||
| 969 | P | 75.6 | Confident | 80 | Confident | 59 Ų | 59 | 67.6 Ų | 67.6 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 130 | -175.2 | 26.8 | -32.5 | 0 | 0 | 0 | 111.6 | P1048 | P969-P1048 HydrophobicContact CB-CG 4.3Å; P969-P1048 WeakPolarHBondContact CB-O 3.43Å; P969-P1048 HydrophobicContact CG-CG 4.2Å |
| 970 | P | 78.8 | Confident | 79.9 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 139.1 | -176.7 | 30.6 | -34 | 0 | 0 | 0 | 112.3 | Y1001 I1038 A1040 | P970-Y1001 HydrophobicContact CB-CD1 4.28Å; P970-Y1001 HydrophobicContact CB-CE1 3.95Å; P970-Y1001 HydrophobicContact CG-CD1 3.91Å; P970-Y1001 HydrophobicContact CG-CE1 4.04Å; P970-I1038 HydrophobicContact CG-CD1 4.27Å; P970-I1038 HydrophobicContact CG-CG1 3.98Å; P970-I1038 HydrophobicContact CG-CG2 4.02Å; P970-I1038 WeakPolarHBondContact O-CG2 3.44Å; P970-A1040 HydrophobicContact CG-CB 4.26Å |
| 971 | R | 80.5 | Confident | 80.1 | Confident | 168 Ų | 168 | 66.7 Ų | 66.7 | 63% | 0.634 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 140.2 | 177.3 | -167.3 | 176.5 | -178.8 | -148.8 | -1.8 | 112 | W986 G987 D988 | R971-W986 CarbonylContact O-C 3.55Å; R971-W986 WeakPolarHBondContact O-CA 3.41Å; R971-W986 WeakPolarHBondContact O-CB 3.13Å; R971-G987 PolarHBondContact O-N 2.97Å; R971-D988 WeakPolarHBondContact CD-OD1 3.11Å; R971-D988 IonicContact NH1-OD1 3.83Å |
| 972 | L | 86.4 | Confident | 80.4 | Confident | 15 Ų | 15 | 61.5 Ų | 61.5 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133.5 | -173.7 | -179 | 63.5 | 0 | 0 | 0 | 112.4 | L984 W986 L1003 F1036 I1038 C1053 | L972-L984 HydrophobicContact CD1-CB 4.35Å; L972-L984 HydrophobicContact CD1-CD1 4.48Å; L972-W986 HydrophobicContact CD1-CB 4.15Å; L972-W986 HydrophobicContact CD1-CE3 3.79Å; L972-L1003 HydrophobicContact CD1-CD1 3.85Å; L972-L1003 HydrophobicContact CD2-CD1 3.84Å; L972-F1036 HydrophobicContact CD2-CB 3.79Å; L972-I1038 HydrophobicContact CB-CG2 3.94Å; L972-I1038 HydrophobicContact CD1-CG2 4.49Å; L972-I1038 HydrophobicContact CD2-CG2 4.22Å; L972-I1038 HydrophobicContact CG-CG2 4.45Å; L972-C1053 HydrophobicContact CD2-CB 4.3Å |
| 973 | E | 86.4 | Confident | 80.8 | Confident | 81 Ų | 81 | 65.6 Ų | 65.6 | 38% | 0.379 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 160 | -177.8 | 65.5 | 179.4 | -174.9 | 0 | 0 | 113.3 | L984 K985 | E973-L984 CarbonylContact O-C 3.39Å; E973-L984 VanDerWaalsContact O-CA 3.28Å; E973-L984 WeakPolarHBondContact O-CA 3.31Å; E973-K985 HydrophobicContact CG-CB 3.93Å; E973-K985 HydrophobicContact CG-CG 4.25Å; E973-K985 WeakPolarHBondContact CG-O 3.32Å; E973-K985 PolarHBondContact N-O 2.71Å; E973-K985 PolarHBondContact O-N 3.04Å; E973-K985 WeakPolarHBondContact OE1-CD 3.36Å; E973-K985 WeakPolarHBondContact OE1-CE 3.19Å; E973-K985 WeakPolarHBondContact OE1-CG 3.37Å; E973-K985 IonicContact OE1-NZ 2.83Å; E973-K985 PolarHBondContact OE1-NZ 3.47Å |
| 974 | C | 85.5 | Confident | 81.5 | Confident | 41 Ų | 41 | 59.4 Ų | 59.4 | 28% | 0.277 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 109.2 | 174 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | K983 L984 F1055 | C974-K983 CarbonylContact C-O 3.59Å; C974-L984 HydrophobicContact CB-CD2 3.7Å; C974-F1055 HydrophobicContact CB-CB 4.1Å; C974-F1055 HydrophobicContact CB-CD1 3.34Å; C974-F1055 HydrophobicContact CB-CD2 3.96Å; C974-F1055 HydrophobicContact CB-CE1 3.6Å; C974-F1055 HydrophobicContact CB-CE2 4.19Å; C974-F1055 HydrophobicContact CB-CG 3.52Å; C974-F1055 HydrophobicContact CB-CZ 4.02Å |
| 975 | A | 85.2 | Confident | 82.2 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 50% | 0.504 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -22.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K983 K985 | A975-K983 PolarHBondContact N-O 2.77Å; A975-K985 HydrophobicContact CB-CB 4.42Å |
| 976 | A | 82.8 | Confident | 83 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 44% | 0.438 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 139.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L982 K983 | A976-L982 CarbonylContact O-C 3.43Å; A976-L982 WeakPolarHBondContact O-CA 3.46Å; A976-K983 HydrophobicContact CB-CB 4.23Å; A976-K983 PolarHBondContact N-O 3.04Å; A976-K983 PolarHBondContact O-N 3.21Å |
| 977 | A | 83.8 | Confident | 82.9 | Confident | 52 Ų | 52 | 52.7 Ų | 52.7 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | L982 C1056 | A977-L982 HydrophobicContact CB-CD2 3.74Å; A977-C1056 WeakPolarHBondContact CB-O 3.49Å |
| 978 | G | 83.1 | Confident | 82.3 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 13% | 0.134 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q980 S981 T1057 T1058 | G978-Q980 PolarHBondContact O-N 3.13Å; G978-S981 PolarHBondContact N-O 2.87Å; G978-S981 PolarHBondContact O-N 2.91Å; G978-T1057 VanDerWaalsContact O-CB 3.24Å; G978-T1057 WeakPolarHBondContact O-CB 3.45Å; G978-T1057 WeakPolarHBondContact O-CG2 3.48Å; G978-T1058 VanDerWaalsContact C-OG1 3.31Å; G978-T1058 WeakPolarHBondContact CA-OG1 3.46Å |
| 979 | P | 79.7 | Confident | 81.3 | Confident | 56 Ų | 56 | 54.3 Ų | 54.3 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.4 | -170.7 | -26.8 | 36.2 | 0 | 0 | 0 | 115.3 | T1029 E1030 T1058 | P979-T1029 CarbonylContact O-C 3.58Å; P979-E1030 HydrophobicContact CB-CB 4.29Å; P979-E1030 WeakPolarHBondContact O-CA 3.36Å; P979-E1030 PolarHBondContact O-N 3.44Å; P979-E1030 VanDerWaalsContact O-N 3.15Å; P979-T1058 WeakPolarHBondContact CA-O 3.36Å; P979-T1058 VanDerWaalsContact CD-OG1 3.31Å; P979-T1058 WeakPolarHBondContact CD-OG1 3.46Å |
| 980 | Q | 84.6 | Confident | 80 | Confident | 131 Ų | 131 | 56.4 Ų | 56.4 | 61% | 0.612 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.9 | 18.9 | 179.3 | -59.1 | -170.7 | -9 | 0 | 0 | 114.5 | G978 Q1026 R1027 L1028 | G978-Q980 PolarHBondContact O-N 3.13Å; Q980-Q1026 CarbonylContact O-C 3.6Å; Q980-R1027 PolarHBondContact O-N 2.84Å; Q980-L1028 VanDerWaalsContact CA-O 3.3Å; Q980-L1028 WeakPolarHBondContact CA-O 3.36Å; Q980-L1028 WeakPolarHBondContact CB-O 3.5Å; Q980-L1028 WeakPolarHBondContact CG-O 3.36Å; Q980-L1028 PolarHBondContact O-N 3.5Å |
| 981 | S | 86.9 | Confident | 78.5 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 22% | 0.217 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 148.4 | -178.8 | 63 | 0 | 0 | 0 | 0 | 114.2 | G978 I1025 | G978-S981 PolarHBondContact N-O 2.87Å; G978-S981 PolarHBondContact O-N 2.91Å; S981-I1025 VanDerWaalsContact CA-O 3.24Å; S981-I1025 WeakPolarHBondContact CA-O 3.32Å; S981-I1025 WeakPolarHBondContact CB-O 3.38Å |
| 982 | L | 88.6 | Confident | 76.9 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139.6 | 171 | -70 | 168.5 | 0 | 0 | 0 | 109.2 | A976 A977 I1025 L1028 Y1034 F1036 F1055 T1057 | A976-L982 CarbonylContact O-C 3.43Å; A976-L982 WeakPolarHBondContact O-CA 3.46Å; A977-L982 HydrophobicContact CB-CD2 3.74Å; L982-I1025 PolarHBondContact N-O 2.94Å; L982-I1025 PolarHBondContact O-N 3.49Å; L982-I1025 VanDerWaalsContact O-O 3.14Å; L982-L1028 HydrophobicContact CB-CD1 3.94Å; L982-L1028 HydrophobicContact CD1-CD1 3.64Å; L982-L1028 HydrophobicContact CG-CD1 3.57Å; L982-Y1034 HydrophobicContact CD1-CD2 4.17Å; L982-F1036 HydrophobicContact CD1-CE2 4.31Å; L982-F1036 HydrophobicContact CD1-CZ 4.43Å; L982-F1055 HydrophobicContact CD1-CB 4.03Å; L982-F1055 HydrophobicContact CD2-CB 4.14Å; L982-T1057 HydrophobicContact CG-CG2 4.49Å |
| 983 | K | 89.5 | Confident | 75 | Confident | 89 Ų | 89 | 67 Ų | 67 | 39% | 0.387 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.8 | 168.8 | -173.4 | -176.3 | 178.3 | -173.5 | 0 | 109 | C974 A975 A976 K1024 | C974-K983 CarbonylContact C-O 3.59Å; A975-K983 PolarHBondContact N-O 2.77Å; A976-K983 HydrophobicContact CB-CB 4.23Å; A976-K983 PolarHBondContact N-O 3.04Å; A976-K983 PolarHBondContact O-N 3.21Å; K983-K1024 HydrophobicContact CB-CB 4.47Å; K983-K1024 HydrophobicContact CB-CG 4.29Å; K983-K1024 HydrophobicContact CG-CB 4.28Å |
| 984 | L | 90.6 | Very high | 73.3 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 154.7 | 178.5 | -53.2 | -173.4 | 0 | 0 | 0 | 111.3 | L972 E973 C974 W986 L1003 T1022 Y1023 I1025 F1036 F1055 | L972-L984 HydrophobicContact CD1-CB 4.35Å; L972-L984 HydrophobicContact CD1-CD1 4.48Å; E973-L984 CarbonylContact O-C 3.39Å; E973-L984 VanDerWaalsContact O-CA 3.28Å; E973-L984 WeakPolarHBondContact O-CA 3.31Å; C974-L984 HydrophobicContact CB-CD2 3.7Å; L984-W986 HydrophobicContact CB-CZ3 4.33Å; L984-L1003 HydrophobicContact CD1-CD2 4.43Å; L984-T1022 WeakPolarHBondContact O-CA 3.24Å; L984-T1022 WeakPolarHBondContact O-CB 3.24Å; L984-Y1023 PolarHBondContact N-O 2.89Å; L984-Y1023 PolarHBondContact O-N 3Å; L984-I1025 HydrophobicContact CD1-CD1 3.94Å; L984-I1025 HydrophobicContact CG-CD1 3.85Å; L984-F1036 HydrophobicContact CD1-CB 4.31Å; L984-F1036 HydrophobicContact CD1-CD1 3.58Å; L984-F1036 HydrophobicContact CD1-CD2 3.88Å; L984-F1036 HydrophobicContact CD1-CE1 3.71Å; L984-F1036 HydrophobicContact CD1-CE2 4.02Å; L984-F1036 HydrophobicContact CD1-CG 3.66Å; L984-F1036 HydrophobicContact CD1-CZ 3.94Å; L984-F1055 HydrophobicContact CD1-CD2 4.45Å; L984-F1055 HydrophobicContact CD1-CE2 4.43Å; L984-F1055 HydrophobicContact CD2-CD2 3.48Å; L984-F1055 VanDerWaalsContact CD2-CD2 3.48Å; L984-F1055 HydrophobicContact CD2-CE2 3.69Å; L984-F1055 HydrophobicContact CD2-CG 4.25Å |
| 985 | K | 86.6 | Confident | 71.3 | Confident | 58 Ų | 58 | 72.1 Ų | 72.1 | 25% | 0.252 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 151.9 | 176.6 | 168.5 | 170.5 | 166.6 | -66.9 | 0 | 108.9 | E973 A975 H1021 T1022 | E973-K985 HydrophobicContact CG-CB 3.93Å; E973-K985 HydrophobicContact CG-CG 4.25Å; E973-K985 WeakPolarHBondContact CG-O 3.32Å; E973-K985 PolarHBondContact N-O 2.71Å; E973-K985 PolarHBondContact O-N 3.04Å; E973-K985 WeakPolarHBondContact OE1-CD 3.36Å; E973-K985 WeakPolarHBondContact OE1-CE 3.19Å; E973-K985 WeakPolarHBondContact OE1-CG 3.37Å; E973-K985 IonicContact OE1-NZ 2.83Å; E973-K985 PolarHBondContact OE1-NZ 3.47Å; A975-K985 HydrophobicContact CB-CB 4.42Å; K985-H1021 CarbonylContact C-O 3.6Å; K985-H1021 WeakPolarHBondContact CA-O 3.38Å; K985-T1022 HydrophobicContact CB-CG2 3.91Å; K985-T1022 HydrophobicContact CD-CG2 4.32Å; K985-T1022 HydrophobicContact CG-CG2 3.98Å |
| 986 | W | 87.5 | Confident | 69.8 | Low | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.008 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 167.4 | 175.7 | 52.6 | 88.4 | 0 | 0 | 0 | 112.8 | R971 L972 L984 Y1001 L1003 Y1016 S1020 H1021 I1038 | R971-W986 CarbonylContact O-C 3.55Å; R971-W986 WeakPolarHBondContact O-CA 3.41Å; R971-W986 WeakPolarHBondContact O-CB 3.13Å; L972-W986 HydrophobicContact CD1-CB 4.15Å; L972-W986 HydrophobicContact CD1-CE3 3.79Å; L984-W986 HydrophobicContact CB-CZ3 4.33Å; W986-Y1001 AromaticContact NE1-CD2 3.65Å; W986-Y1001 AromaticContact NE1-CG 3.63Å; W986-L1003 HydrophobicContact CH2-CB 4.34Å; W986-L1003 HydrophobicContact CH2-CD2 3.86Å; W986-L1003 HydrophobicContact CZ3-CD1 4.47Å; W986-L1003 HydrophobicContact CZ3-CD2 3.67Å; W986-L1003 HydrophobicContact CZ3-CG 4.48Å; W986-Y1016 AromaticContact CH2-CD1 3.95Å; W986-Y1016 HydrophobicContact CH2-CD1 3.95Å; W986-Y1016 HydrophobicContact CH2-CG 4.41Å; W986-Y1016 AromaticContact CZ2-CD1 3.6Å; W986-Y1016 HydrophobicContact CZ2-CD1 3.6Å; W986-Y1016 AromaticContact CZ2-CE1 3.88Å; W986-Y1016 HydrophobicContact CZ2-CE1 3.88Å; W986-Y1016 HydrophobicContact CZ2-CG 4.47Å; W986-S1020 WeakPolarHBondContact CZ2-O 3.48Å; W986-S1020 PolarHBondContact NE1-O 3.14Å; W986-H1021 PolarHBondContact N-O 3.25Å; W986-I1038 HydrophobicContact CB-CD1 3.86Å; W986-I1038 HydrophobicContact CD2-CD1 3.38Å; W986-I1038 HydrophobicContact CE3-CD1 4.1Å; W986-I1038 HydrophobicContact CG-CD1 3.27Å; W986-I1038 HydrophobicContact CZ2-CD1 4.24Å |
| 987 | G | 72.1 | Confident | 68.4 | Low | 16 Ų | 16 | 77.5 Ų | 77.5 | 17% | 0.165 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 83.9 | 141.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R971 | R971-G987 PolarHBondContact O-N 2.97Š|
| 988 | D | 61 | Low | 67.5 | Low | 79 Ų | 79 | 80.1 Ų | 80.1 | 42% | 0.422 | 45% | 0.454 | S | S | . | . | trans | -82.5 | 128.6 | -176.8 | -77.2 | -54.3 | 0 | 0 | 0 | 111.7 | R971 S990 S991 | R971-D988 WeakPolarHBondContact CD-OD1 3.11Å; R971-D988 IonicContact NH1-OD1 3.83Å; D988-S990 PolarHBondContact O-N 2.82Å; D988-S991 PolarHBondContact O-OG 2.85Å | ||
| 989 | S | 51.3 | Low | 67.1 | Low | 121 Ų | 121 | 81 Ų | 81 | 85% | 0.846 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 25.2 | 177.6 | 50.7 | 0 | 0 | 0 | 0 | 114 | ||
| 990 | S | 49.8 | Very low | 67.2 | Low | 103 Ų | 103 | 80.6 Ų | 80.6 | 72% | 0.72 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | -20.1 | 178.6 | 59.6 | 0 | 0 | 0 | 0 | 113.9 | D988 K992 | D988-S990 PolarHBondContact O-N 2.82Å; S990-K992 PolarHBondContact O-N 3.15Å; S990-K992 VanDerWaalsContact O-N 3.07Å |
| 991 | S | 47.7 | Very low | 67.3 | Low | 76 Ų | 76 | 75.4 Ų | 75.4 | 53% | 0.531 | 43% | 0.426 | S | S | . | . | trans | -80.9 | 85.7 | 178 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | D988 | D988-S991 PolarHBondContact O-OG 2.85Š| ||
| 992 | K | 46.6 | Very low | 67.4 | Low | 208 Ų | 208 | 74.6 Ų | 74.6 | 90% | 0.904 | 42% | 0.419 | S | S | * | . | trans | -81.5 | 4.7 | 169.2 | -94.9 | -167.7 | 174 | -171.8 | 0 | 114.4 | S990 | S990-K992 PolarHBondContact O-N 3.15Å; S990-K992 VanDerWaalsContact O-N 3.07Å | ||
| 993 | L | 46.6 | Very low | 67.5 | Low | 134 Ų | 134 | 74.5 Ų | 74.5 | 70% | 0.702 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -103.5 | 140.7 | 165.1 | -87.4 | 65.3 | 0 | 0 | 0 | 108.3 | ||
| 994 | H | 49.4 | Very low | 67.6 | Low | 132 Ų | 132 | 71.4 Ų | 71.4 | 61% | 0.611 | 41% | 0.406 | S | S | * | . | trans | 62.6 | 44.2 | 177 | -45.7 | -70.9 | 0 | 0 | 0 | 116.5 | T996 M999 | H994-T996 VanDerWaalsContact C-N 3.3Å; H994-T996 PolarHBondContact O-N 3.39Å; H994-M999 HydrophobicContact CB-CE 4.33Å | ||
| 995 | A | 45 | Very low | 67.6 | Low | 99 Ų | 99 | 72.8 Ų | 72.8 | 82% | 0.818 | 41% | 0.413 | S | S | * | . | trans | -84.7 | 78.8 | 147.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 996 | T | 52.7 | Low | 67.8 | Low | 66 Ų | 66 | 72.6 Ų | 72.6 | 41% | 0.405 | 41% | 0.413 | S | S | . | . | trans | -86.8 | 135.3 | 170.8 | 49.2 | 0 | 0 | 0 | 0 | 109.1 | H994 D998 M999 | H994-T996 VanDerWaalsContact C-N 3.3Å; H994-T996 PolarHBondContact O-N 3.39Å; T996-D998 PolarHBondContact O-N 2.84Å; T996-D998 VanDerWaalsContact O-N 3.08Å; T996-M999 PolarHBondContact O-N 2.99Å | ||
| 997 | D | 53.8 | Low | 67.6 | Low | 160 Ų | 160 | 74.6 Ų | 74.6 | 86% | 0.856 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.2 | -174.7 | -82.4 | -49.9 | 0 | 0 | 0 | 113.6 | M999 | D997-M999 VanDerWaalsContact C-N 3.32Å; D997-M999 PolarHBondContact O-N 3.15Å |
| 998 | D | 64.1 | Low | 67.9 | Low | 108 Ų | 108 | 85.8 Ų | 85.8 | 58% | 0.578 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 2.3 | -178.6 | -51.9 | -76.9 | 0 | 0 | 0 | 115 | T996 V1000 | T996-D998 PolarHBondContact O-N 2.84Å; T996-D998 VanDerWaalsContact O-N 3.08Å; D998-V1000 PolarHBondContact O-N 2.99Å |
| 999 | M | 74.6 | Confident | 69 | Low | 32 Ų | 32 | 87.8 Ų | 87.8 | 16% | 0.158 | 47% | 0.472 | C | S | . | . | trans | -73.4 | 121.3 | 177.3 | -81.5 | -163 | -171.6 | 0 | 0 | 113.3 | P967 H994 T996 D997 V1041 | P967-M999 HydrophobicContact CB-CE 4.35Å; H994-M999 HydrophobicContact CB-CE 4.33Å; T996-M999 PolarHBondContact O-N 2.99Å; D997-M999 VanDerWaalsContact C-N 3.32Å; D997-M999 PolarHBondContact O-N 3.15Å; M999-V1041 WeakPolarHBondContact CA-O 3.35Å | ||
| 1000 | V | 82.2 | Confident | 70.4 | Confident | 47 Ų | 47 | 90 Ų | 90 | 29% | 0.285 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.9 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | D998 R1017 A1040 V1041 | D998-V1000 PolarHBondContact O-N 2.99Å; V1000-R1017 HydrophobicContact CG1-CG 3.89Å; V1000-A1040 CarbonylContact O-C 3.58Å; V1000-A1040 WeakPolarHBondContact O-CA 3.18Å; V1000-V1041 HydrophobicContact CB-CB 4.45Å; V1000-V1041 PolarHBondContact N-O 2.87Å; V1000-V1041 PolarHBondContact O-N 2.89Å |
| 1001 | Y | 86.9 | Confident | 72.1 | Confident | 22 Ų | 22 | 93.8 Ų | 93.8 | 9% | 0.086 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 151 | 174.1 | -58.6 | -69.7 | 0 | 0 | 0 | 112.6 | P970 W986 R1017 G1018 H1021 Q1039 A1040 | P970-Y1001 HydrophobicContact CB-CD1 4.28Å; P970-Y1001 HydrophobicContact CB-CE1 3.95Å; P970-Y1001 HydrophobicContact CG-CD1 3.91Å; P970-Y1001 HydrophobicContact CG-CE1 4.04Å; W986-Y1001 AromaticContact NE1-CD2 3.65Å; W986-Y1001 AromaticContact NE1-CG 3.63Å; Y1001-R1017 CarbonylContact O-C 3.54Å; Y1001-R1017 VanDerWaalsContact O-CA 3.26Å; Y1001-R1017 WeakPolarHBondContact O-CA 3.39Å; Y1001-G1018 WeakPolarHBondContact CB-O 3.38Å; Y1001-G1018 PolarHBondContact N-O 3.32Å; Y1001-G1018 PolarHBondContact O-N 3.33Å; Y1001-H1021 AromaticContact CE2-CE1 3.49Å; Y1001-H1021 VanDerWaalsContact CE2-CE1 3.49Å; Y1001-H1021 WeakPolarHBondContact CE2-CE1 3.37Å; Y1001-H1021 AromaticContact CE2-ND1 3.85Å; Y1001-H1021 AromaticContact CE2-NE2 3.59Å; Y1001-H1021 AromaticContact CZ-NE2 3.7Å; Y1001-H1021 PolarHBondContact OH-NE2 3.06Å; Y1001-Q1039 VanDerWaalsContact CA-O 3.31Å; Y1001-Q1039 WeakPolarHBondContact CA-O 3.25Å; Y1001-A1040 HydrophobicContact CD1-CB 3.82Å; Y1001-A1040 HydrophobicContact CE1-CB 3.86Å |
| 1002 | I | 89 | Confident | 74 | Confident | 13 Ų | 13 | 92.3 Ų | 92.3 | 7% | 0.067 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 107.3 | 175.3 | -48.1 | -179.2 | 0 | 0 | 0 | 110.3 | P1014 Y1016 R1017 I1038 Q1039 | I1002-P1014 HydrophobicContact CG2-CB 4.37Å; I1002-Y1016 WeakPolarHBondContact CA-O 3.47Å; I1002-R1017 HydrophobicContact CG1-CG 4.07Å; I1002-I1038 VanDerWaalsContact O-CA 3.26Å; I1002-I1038 WeakPolarHBondContact O-CA 3.44Å; I1002-I1038 WeakPolarHBondContact O-CG1 3.29Å; I1002-Q1039 HydrophobicContact CB-CG 4.13Å; I1002-Q1039 HydrophobicContact CD1-CG 4.4Å; I1002-Q1039 HydrophobicContact CG1-CG 4.38Å; I1002-Q1039 PolarHBondContact N-O 2.85Å; I1002-Q1039 PolarHBondContact O-N 2.6Å; I1002-Q1039 VanDerWaalsContact O-N 3.08Å |
| 1003 | L | 89.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 86.3 Ų | 86.3 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 137 | 178.3 | 176.8 | 77.9 | 0 | 0 | 0 | 111 | L972 L984 W986 P1014 I1015 Y1016 Y1023 F1036 I1038 | L972-L1003 HydrophobicContact CD1-CD1 3.85Å; L972-L1003 HydrophobicContact CD2-CD1 3.84Å; L984-L1003 HydrophobicContact CD1-CD2 4.43Å; W986-L1003 HydrophobicContact CH2-CB 4.34Å; W986-L1003 HydrophobicContact CH2-CD2 3.86Å; W986-L1003 HydrophobicContact CZ3-CD1 4.47Å; W986-L1003 HydrophobicContact CZ3-CD2 3.67Å; W986-L1003 HydrophobicContact CZ3-CG 4.48Å; L1003-P1014 WeakPolarHBondContact O-CA 3.41Å; L1003-I1015 HydrophobicContact CD2-CD1 3.64Å; L1003-I1015 HydrophobicContact CD2-CG1 3.92Å; L1003-I1015 HydrophobicContact CG-CD1 4.11Å; L1003-I1015 HydrophobicContact CG-CG1 4.02Å; L1003-I1015 PolarHBondContact O-N 2.6Å; L1003-Y1016 PolarHBondContact N-O 3.01Å; L1003-Y1016 PolarHBondContact O-N 3.44Å; L1003-Y1023 HydrophobicContact CD2-CD1 4.26Å; L1003-F1036 HydrophobicContact CD1-CB 4.39Å; L1003-I1038 HydrophobicContact CB-CD1 4.33Å; L1003-I1038 HydrophobicContact CB-CG1 4.41Å; L1003-I1038 HydrophobicContact CD1-CB 4.07Å; L1003-I1038 HydrophobicContact CD1-CD1 4.46Å |
| 1004 | Q | 91.6 | Very high | 77.8 | Confident | 23 Ų | 23 | 83.8 Ų | 83.8 | 11% | 0.107 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.1 | 179.8 | -47.6 | -171.9 | -25.4 | 0 | 0 | 111.8 | F1012 I1013 P1014 F1036 R1037 F1049 | Q1004-F1012 HydrophobicContact CB-CB 3.93Å; Q1004-F1012 HydrophobicContact CB-CD1 4.34Å; Q1004-F1012 VanDerWaalsContact OE1-CB 3.3Å; Q1004-I1013 CarbonylContact C-O 3.53Å; Q1004-I1013 WeakPolarHBondContact CA-O 3.5Å; Q1004-P1014 HydrophobicContact CG-CB 4.32Å; Q1004-F1036 CarbonylContact O-C 3.57Å; Q1004-F1036 WeakPolarHBondContact O-CA 3.34Å; Q1004-R1037 HydrophobicContact CB-CG 4.19Å; Q1004-R1037 PolarHBondContact N-O 2.97Å; Q1004-R1037 PolarHBondContact O-N 3.12Å; Q1004-R1037 VanDerWaalsContact OE1-CZ 3.28Å; Q1004-F1049 HydrophobicContact CG-CE1 4.33Å |
| 1005 | I | 90.4 | Very high | 79.6 | Confident | 30 Ų | 30 | 79.8 Ų | 79.8 | 15% | 0.154 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 146.2 | 172.5 | -164.1 | 175.6 | 0 | 0 | 0 | 110.6 | F1012 I1013 I1015 Y1034 S1035 F1036 | I1005-F1012 CarbonylContact O-C 3.51Å; I1005-F1012 WeakPolarHBondContact O-CA 3.41Å; I1005-I1013 PolarHBondContact N-O 2.99Å; I1005-I1013 PolarHBondContact O-N 3.03Å; I1005-I1015 HydrophobicContact CB-CD1 4.05Å; I1005-I1015 HydrophobicContact CB-CG1 4.41Å; I1005-I1015 HydrophobicContact CB-CG2 4.18Å; I1005-I1015 HydrophobicContact CG2-CG2 3.51Å; I1005-Y1034 HydrophobicContact CD1-CD1 4.47Å; I1005-S1035 CarbonylContact C-O 3.46Å; I1005-S1035 WeakPolarHBondContact CA-O 3.16Å; I1005-S1035 WeakPolarHBondContact CG1-O 3.12Å; I1005-F1036 HydrophobicContact CB-CD1 3.88Å; I1005-F1036 HydrophobicContact CB-CE1 3.88Å; I1005-F1036 HydrophobicContact CD1-CD1 4.32Å; I1005-F1036 HydrophobicContact CD1-CE1 3.5Å; I1005-F1036 HydrophobicContact CD1-CZ 3.72Å; I1005-F1036 HydrophobicContact CG1-CD1 3.77Å; I1005-F1036 HydrophobicContact CG1-CE1 3.46Å; I1005-F1036 VanDerWaalsContact CG1-CE1 3.46Å; I1005-F1036 HydrophobicContact CG1-CG 4.47Å; I1005-F1036 HydrophobicContact CG1-CZ 3.92Å |
| 1006 | E | 90.9 | Very high | 81.7 | Confident | 54 Ų | 54 | 77.3 Ų | 77.3 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 129.2 | 171.3 | -169.1 | -179.6 | -167.9 | 0 | 0 | 111.4 | K1010 R1011 F1012 S1035 | E1006-K1010 WeakPolarHBondContact OE1-CB 3.28Å; E1006-K1010 WeakPolarHBondContact OE1-CG 3.37Å; E1006-R1011 WeakPolarHBondContact CA-O 3.33Å; E1006-F1012 HydrophobicContact CB-CD1 4.29Å; E1006-F1012 HydrophobicContact CB-CE1 3.83Å; E1006-F1012 HydrophobicContact CB-CZ 4.06Å; E1006-F1012 HydrophobicContact CG-CZ 4.38Å; E1006-S1035 PolarHBondContact N-O 3.19Å; E1006-S1035 WeakPolarHBondContact OE2-CB 3.33Å; E1006-S1035 PolarHBondContact OE2-OG 2.94Å |
| 1007 | D | 84.3 | Confident | 83.4 | Confident | 44 Ų | 44 | 81.7 Ų | 81.7 | 24% | 0.235 | 38% | 0.379 | C | S | . | . | trans | -90.8 | 178.7 | 175.6 | 96.4 | -40.9 | 0 | 0 | 0 | 113.1 | N1009 K1010 R1011 I1013 | D1007-N1009 VanDerWaalsContact CG-N 3.31Å; D1007-N1009 PolarHBondContact O-N 2.81Å; D1007-N1009 VanDerWaalsContact O-N 3.08Å; D1007-N1009 VanDerWaalsContact OD1-C 3.27Å; D1007-N1009 VanDerWaalsContact OD1-CA 3.28Å; D1007-N1009 WeakPolarHBondContact OD1-CA 3.12Å; D1007-N1009 WeakPolarHBondContact OD1-CB 3.39Å; D1007-N1009 PolarHBondContact OD1-N 2.91Å; D1007-N1009 PolarHBondContact OD2-N 2.84Å; D1007-N1009 PolarHBondContact OD2-ND2 2.84Å; D1007-K1010 PolarHBondContact O-N 3.29Å; D1007-K1010 PolarHBondContact OD1-N 2.89Å; D1007-K1010 VanDerWaalsContact OD1-N 3.15Å; D1007-R1011 PolarHBondContact N-O 3.13Å; D1007-R1011 WeakPolarHBondContact OD1-CB 3.34Å; D1007-R1011 PolarHBondContact OD1-N 3.39Å; D1007-I1013 HydrophobicContact CB-CD1 3.73Å; D1007-I1013 HydrophobicContact CB-CG1 4.35Å | ||
| 1008 | R | 78.7 | Confident | 84.8 | Confident | 250 Ų | 250 | 74.5 Ų | 74.5 | 94% | 0.943 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -14.3 | 178 | -66.8 | -173.8 | 179.8 | -173.4 | 0.3 | 114.3 | ||
| 1009 | N | 84.6 | Confident | 85.6 | Confident | 121 Ų | 121 | 73.4 Ų | 73.4 | 65% | 0.647 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 12.2 | 178.6 | -52.5 | -73.2 | 0 | 0 | 0 | 112.4 | D1007 R1011 | D1007-N1009 VanDerWaalsContact CG-N 3.31Å; D1007-N1009 PolarHBondContact O-N 2.81Å; D1007-N1009 VanDerWaalsContact O-N 3.08Å; D1007-N1009 VanDerWaalsContact OD1-C 3.27Å; D1007-N1009 VanDerWaalsContact OD1-CA 3.28Å; D1007-N1009 WeakPolarHBondContact OD1-CA 3.12Å; D1007-N1009 WeakPolarHBondContact OD1-CB 3.39Å; D1007-N1009 PolarHBondContact OD1-N 2.91Å; D1007-N1009 PolarHBondContact OD2-N 2.84Å; D1007-N1009 PolarHBondContact OD2-ND2 2.84Å; N1009-R1011 VanDerWaalsContact C-N 3.29Å; N1009-R1011 PolarHBondContact O-N 2.97Å |
| 1010 | K | 80.4 | Confident | 85.9 | Confident | 167 Ų | 167 | 74 Ų | 74 | 73% | 0.726 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 60.2 | 29.7 | -174.9 | -54.9 | -160.4 | 173.4 | -165.5 | 0 | 114.8 | E1006 D1007 | E1006-K1010 WeakPolarHBondContact OE1-CB 3.28Å; E1006-K1010 WeakPolarHBondContact OE1-CG 3.37Å; D1007-K1010 PolarHBondContact O-N 3.29Å; D1007-K1010 PolarHBondContact OD1-N 2.89Å; D1007-K1010 VanDerWaalsContact OD1-N 3.15Å |
| 1011 | R | 84.8 | Confident | 86 | Confident | 183 Ų | 183 | 76.1 Ų | 76.1 | 69% | 0.691 | 36% | 0.356 | S | S | * | . | trans | -98.4 | 134.4 | 173 | -63.1 | -176.3 | 175.7 | -168 | -2.4 | 109.9 | E1006 D1007 N1009 I1013 | E1006-R1011 WeakPolarHBondContact CA-O 3.33Å; D1007-R1011 PolarHBondContact N-O 3.13Å; D1007-R1011 WeakPolarHBondContact OD1-CB 3.34Å; D1007-R1011 PolarHBondContact OD1-N 3.39Å; N1009-R1011 VanDerWaalsContact C-N 3.29Å; N1009-R1011 PolarHBondContact O-N 2.97Å; R1011-I1013 PolarHBondContact O-N 2.86Å | ||
| 1012 | F | 87.1 | Confident | 85.9 | Confident | 45 Ų | 45 | 77.6 Ų | 77.6 | 20% | 0.197 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 115.1 | 171.5 | -74.9 | -81.2 | 0 | 0 | 0 | 110.3 | Q1004 I1005 E1006 R1037 I1052 | Q1004-F1012 HydrophobicContact CB-CB 3.93Å; Q1004-F1012 HydrophobicContact CB-CD1 4.34Å; Q1004-F1012 VanDerWaalsContact OE1-CB 3.3Å; I1005-F1012 CarbonylContact O-C 3.51Å; I1005-F1012 WeakPolarHBondContact O-CA 3.41Å; E1006-F1012 HydrophobicContact CB-CD1 4.29Å; E1006-F1012 HydrophobicContact CB-CE1 3.83Å; E1006-F1012 HydrophobicContact CB-CZ 4.06Å; E1006-F1012 HydrophobicContact CG-CZ 4.38Å; F1012-R1037 HydrophobicContact CD1-CG 3.77Å; F1012-R1037 HydrophobicContact CE1-CB 4.49Å; F1012-R1037 HydrophobicContact CE1-CG 4.15Å; F1012-R1037 HydrophobicContact CG-CG 4.11Å; F1012-I1052 HydrophobicContact CE1-CG1 4.39Å; F1012-I1052 HydrophobicContact CE1-CG2 4.19Å; F1012-I1052 HydrophobicContact CE2-CD1 3.7Å; F1012-I1052 HydrophobicContact CE2-CG1 4.18Å; F1012-I1052 HydrophobicContact CZ-CB 4.37Å; F1012-I1052 HydrophobicContact CZ-CD1 3.62Å; F1012-I1052 HydrophobicContact CZ-CG1 3.7Å; F1012-I1052 HydrophobicContact CZ-CG2 3.71Å |
| 1013 | I | 86.7 | Confident | 86 | Confident | 83 Ų | 83 | 81.1 Ų | 81.1 | 43% | 0.426 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.1 | -178.5 | -55.8 | 179.8 | 0 | 0 | 0 | 108.7 | Q1004 I1005 D1007 R1011 I1015 | Q1004-I1013 CarbonylContact C-O 3.53Å; Q1004-I1013 WeakPolarHBondContact CA-O 3.5Å; I1005-I1013 PolarHBondContact N-O 2.99Å; I1005-I1013 PolarHBondContact O-N 3.03Å; D1007-I1013 HydrophobicContact CB-CD1 3.73Å; D1007-I1013 HydrophobicContact CB-CG1 4.35Å; R1011-I1013 PolarHBondContact O-N 2.86Å; I1013-I1015 PolarHBondContact O-N 2.97Å |
| 1014 | P | 87.1 | Confident | 85.9 | Confident | 81 Ų | 81 | 86.4 Ų | 86.4 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 127.3 | 176.8 | 26.2 | -33.7 | 0 | 0 | 0 | 111.7 | I1002 L1003 Q1004 | I1002-P1014 HydrophobicContact CG2-CB 4.37Å; L1003-P1014 WeakPolarHBondContact O-CA 3.41Å; Q1004-P1014 HydrophobicContact CG-CB 4.32Å |
| 1015 | I | 87.9 | Confident | 85.8 | Confident | 47 Ų | 47 | 86.5 Ų | 86.5 | 24% | 0.241 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | -12.9 | 177.1 | 52.1 | 160.9 | 0 | 0 | 0 | 112.9 | L1003 I1005 I1013 Y1023 I1025 F1036 | L1003-I1015 HydrophobicContact CD2-CD1 3.64Å; L1003-I1015 HydrophobicContact CD2-CG1 3.92Å; L1003-I1015 HydrophobicContact CG-CD1 4.11Å; L1003-I1015 HydrophobicContact CG-CG1 4.02Å; L1003-I1015 PolarHBondContact O-N 2.6Å; I1005-I1015 HydrophobicContact CB-CD1 4.05Å; I1005-I1015 HydrophobicContact CB-CG1 4.41Å; I1005-I1015 HydrophobicContact CB-CG2 4.18Å; I1005-I1015 HydrophobicContact CG2-CG2 3.51Å; I1013-I1015 PolarHBondContact O-N 2.97Å; I1015-Y1023 HydrophobicContact CB-CE1 4.39Å; I1015-Y1023 HydrophobicContact CD1-CD1 4.3Å; I1015-Y1023 HydrophobicContact CD1-CE1 4.11Å; I1015-Y1023 PolarHBondContact O-OH 3.38Å; I1015-I1025 HydrophobicContact CD1-CG1 4.27Å; I1015-F1036 HydrophobicContact CD1-CD1 3.99Å; I1015-F1036 HydrophobicContact CD1-CE1 3.83Å |
| 1016 | Y | 88.6 | Confident | 85.6 | Confident | 48 Ų | 48 | 91 Ų | 91 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 141 | 171.3 | 178 | -97.8 | 0 | 0 | 0 | 111.1 | W986 I1002 L1003 G1018 S1020 Y1023 | W986-Y1016 AromaticContact CH2-CD1 3.95Å; W986-Y1016 HydrophobicContact CH2-CD1 3.95Å; W986-Y1016 HydrophobicContact CH2-CG 4.41Å; W986-Y1016 AromaticContact CZ2-CD1 3.6Å; W986-Y1016 HydrophobicContact CZ2-CD1 3.6Å; W986-Y1016 AromaticContact CZ2-CE1 3.88Å; W986-Y1016 HydrophobicContact CZ2-CE1 3.88Å; W986-Y1016 HydrophobicContact CZ2-CG 4.47Å; I1002-Y1016 WeakPolarHBondContact CA-O 3.47Å; L1003-Y1016 PolarHBondContact N-O 3.01Å; L1003-Y1016 PolarHBondContact O-N 3.44Å; Y1016-G1018 WeakPolarHBondContact CE1-O 3.28Å; Y1016-G1018 VanDerWaalsContact OH-CA 3.32Å; Y1016-G1018 WeakPolarHBondContact OH-CA 3.45Å; Y1016-S1020 WeakPolarHBondContact OH-CB 3.47Å; Y1016-S1020 PolarHBondContact OH-N 2.88Å; Y1016-Y1023 AromaticContact CD2-CD2 3.98Å; Y1016-Y1023 HydrophobicContact CD2-CD2 3.98Å; Y1016-Y1023 HydrophobicContact CD2-CE2 4.19Å; Y1016-Y1023 HydrophobicContact CG-CD2 4.34Å |
| 1017 | R | 88.6 | Confident | 85.3 | Confident | 157 Ų | 157 | 99.7 Ų | 99.7 | 59% | 0.592 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 132.6 | 166.7 | 179.4 | 165.2 | -168.5 | 155.2 | 10.4 | 109 | V1000 Y1001 I1002 E1046 | V1000-R1017 HydrophobicContact CG1-CG 3.89Å; Y1001-R1017 CarbonylContact O-C 3.54Å; Y1001-R1017 VanDerWaalsContact O-CA 3.26Å; Y1001-R1017 WeakPolarHBondContact O-CA 3.39Å; I1002-R1017 HydrophobicContact CG1-CG 4.07Å; R1017-E1046 IonicContact NH2-OE1 3.23Å |
| 1018 | G | 82.6 | Confident | 85.4 | Confident | 10 Ų | 10 | 98.2 Ų | 98.2 | 10% | 0.103 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143 | -172.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y1001 Y1016 | Y1001-G1018 WeakPolarHBondContact CB-O 3.38Å; Y1001-G1018 PolarHBondContact N-O 3.32Å; Y1001-G1018 PolarHBondContact O-N 3.33Å; Y1016-G1018 WeakPolarHBondContact CE1-O 3.28Å; Y1016-G1018 VanDerWaalsContact OH-CA 3.32Å; Y1016-G1018 WeakPolarHBondContact OH-CA 3.45Å |
| 1019 | P | 81.3 | Confident | 85.5 | Confident | 84 Ų | 84 | 90.1 Ų | 90.1 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -86.3 | -1.4 | -172.7 | 33.7 | -36.8 | 0 | 0 | 0 | 115.2 | H1021 | P1019-H1021 PolarHBondContact O-ND1 3.22Š|
| 1020 | S | 81.4 | Confident | 85.4 | Confident | 46 Ų | 46 | 86.2 Ų | 86.2 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | trans | -65.5 | 142 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | W986 Y1016 T1022 | W986-S1020 WeakPolarHBondContact CZ2-O 3.48Å; W986-S1020 PolarHBondContact NE1-O 3.14Å; Y1016-S1020 WeakPolarHBondContact OH-CB 3.47Å; Y1016-S1020 PolarHBondContact OH-N 2.88Å; S1020-T1022 PolarHBondContact OG-N 3.37Å; S1020-T1022 PolarHBondContact OG-O 3.5Å | ||
| 1021 | H | 83.4 | Confident | 85.3 | Confident | 91 Ų | 91 | 81.7 Ų | 81.7 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -97 | 2.7 | 176.1 | -68.2 | 66 | 0 | 0 | 0 | 113.1 | K985 W986 Y1001 P1019 | K985-H1021 CarbonylContact C-O 3.6Å; K985-H1021 WeakPolarHBondContact CA-O 3.38Å; W986-H1021 PolarHBondContact N-O 3.25Å; Y1001-H1021 AromaticContact CE2-CE1 3.49Å; Y1001-H1021 VanDerWaalsContact CE2-CE1 3.49Å; Y1001-H1021 WeakPolarHBondContact CE2-CE1 3.37Å; Y1001-H1021 AromaticContact CE2-ND1 3.85Å; Y1001-H1021 AromaticContact CE2-NE2 3.59Å; Y1001-H1021 AromaticContact CZ-NE2 3.7Å; Y1001-H1021 PolarHBondContact OH-NE2 3.06Å; P1019-H1021 PolarHBondContact O-ND1 3.22Å |
| 1022 | T | 85.1 | Confident | 85.2 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 154 | 175.8 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | L984 K985 S1020 | L984-T1022 WeakPolarHBondContact O-CA 3.24Å; L984-T1022 WeakPolarHBondContact O-CB 3.24Å; K985-T1022 HydrophobicContact CB-CG2 3.91Å; K985-T1022 HydrophobicContact CD-CG2 4.32Å; K985-T1022 HydrophobicContact CG-CG2 3.98Å; S1020-T1022 PolarHBondContact OG-N 3.37Å; S1020-T1022 PolarHBondContact OG-O 3.5Å |
| 1023 | Y | 90.4 | Very high | 85.1 | Confident | 86 Ų | 86 | 76.5 Ų | 76.5 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 150.4 | 176.6 | -172.9 | -111.3 | 0 | 0 | 0 | 112 | L984 L1003 I1015 Y1016 I1025 | L984-Y1023 PolarHBondContact N-O 2.89Å; L984-Y1023 PolarHBondContact O-N 3Å; L1003-Y1023 HydrophobicContact CD2-CD1 4.26Å; I1015-Y1023 HydrophobicContact CB-CE1 4.39Å; I1015-Y1023 HydrophobicContact CD1-CD1 4.3Å; I1015-Y1023 HydrophobicContact CD1-CE1 4.11Å; I1015-Y1023 PolarHBondContact O-OH 3.38Å; Y1016-Y1023 AromaticContact CD2-CD2 3.98Å; Y1016-Y1023 HydrophobicContact CD2-CD2 3.98Å; Y1016-Y1023 HydrophobicContact CD2-CE2 4.19Å; Y1016-Y1023 HydrophobicContact CG-CD2 4.34Å; Y1023-I1025 HydrophobicContact CD1-CD1 4.16Å; Y1023-I1025 HydrophobicContact CD1-CG1 4.13Å; Y1023-I1025 HydrophobicContact CE1-CG1 4.13Å |
| 1024 | K | 88.3 | Confident | 85.1 | Confident | 112 Ų | 112 | 75 Ų | 75 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 120.8 | -177.1 | -173.9 | -177.9 | 179.8 | -176.9 | 0 | 111.3 | K983 Q1026 | K983-K1024 HydrophobicContact CB-CB 4.47Å; K983-K1024 HydrophobicContact CB-CG 4.29Å; K983-K1024 HydrophobicContact CG-CB 4.28Å; K1024-Q1026 HydrophobicContact CG-CG 4.4Å |
| 1025 | I | 89.6 | Confident | 85.2 | Confident | 24 Ų | 24 | 71.9 Ų | 71.9 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 138.6 | 175.8 | -48.6 | 90 | 0 | 0 | 0 | 109.1 | S981 L982 L984 I1015 Y1023 L1028 F1036 | S981-I1025 VanDerWaalsContact CA-O 3.24Å; S981-I1025 WeakPolarHBondContact CA-O 3.32Å; S981-I1025 WeakPolarHBondContact CB-O 3.38Å; L982-I1025 PolarHBondContact N-O 2.94Å; L982-I1025 PolarHBondContact O-N 3.49Å; L982-I1025 VanDerWaalsContact O-O 3.14Å; L984-I1025 HydrophobicContact CD1-CD1 3.94Å; L984-I1025 HydrophobicContact CG-CD1 3.85Å; I1015-I1025 HydrophobicContact CD1-CG1 4.27Å; Y1023-I1025 HydrophobicContact CD1-CD1 4.16Å; Y1023-I1025 HydrophobicContact CD1-CG1 4.13Å; Y1023-I1025 HydrophobicContact CE1-CG1 4.13Å; I1025-L1028 HydrophobicContact CG2-CD1 4.46Å; I1025-L1028 HydrophobicContact CG2-CD2 3.85Å; I1025-L1028 HydrophobicContact CG2-CG 4.35Å; I1025-F1036 HydrophobicContact CD1-CE1 4.01Å; I1025-F1036 HydrophobicContact CD1-CZ 4.19Å; I1025-F1036 HydrophobicContact CG1-CE1 4.3Å |
| 1026 | Q | 86.6 | Confident | 85.4 | Confident | 125 Ų | 125 | 69.6 Ų | 69.6 | 58% | 0.584 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 172.8 | -178.8 | -61.9 | -173.7 | -69.5 | 0 | 0 | 111.1 | Q980 K1024 L1028 | Q980-Q1026 CarbonylContact O-C 3.6Å; K1024-Q1026 HydrophobicContact CG-CG 4.4Å; Q1026-L1028 VanDerWaalsContact C-N 3.28Å; Q1026-L1028 PolarHBondContact O-N 2.88Å |
| 1027 | R | 84.9 | Confident | 85.5 | Confident | 236 Ų | 236 | 70.5 Ų | 70.5 | 89% | 0.891 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 65.4 | 28.1 | -177.4 | -42.5 | 179.5 | -161.8 | 151.9 | 5 | 113.6 | Q980 | Q980-R1027 PolarHBondContact O-N 2.84Š|
| 1028 | L | 85.9 | Confident | 85.5 | Confident | 14 Ų | 14 | 63 Ų | 63 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 161.4 | 173 | -54 | -179.2 | 0 | 0 | 0 | 110.2 | Q980 L982 I1025 Q1026 Y1034 T1057 | Q980-L1028 VanDerWaalsContact CA-O 3.3Å; Q980-L1028 WeakPolarHBondContact CA-O 3.36Å; Q980-L1028 WeakPolarHBondContact CB-O 3.5Å; Q980-L1028 WeakPolarHBondContact CG-O 3.36Å; Q980-L1028 PolarHBondContact O-N 3.5Å; L982-L1028 HydrophobicContact CB-CD1 3.94Å; L982-L1028 HydrophobicContact CD1-CD1 3.64Å; L982-L1028 HydrophobicContact CG-CD1 3.57Å; I1025-L1028 HydrophobicContact CG2-CD1 4.46Å; I1025-L1028 HydrophobicContact CG2-CD2 3.85Å; I1025-L1028 HydrophobicContact CG2-CG 4.35Å; Q1026-L1028 VanDerWaalsContact C-N 3.28Å; Q1026-L1028 PolarHBondContact O-N 2.88Å; L1028-Y1034 HydrophobicContact CB-CE2 3.91Å; L1028-Y1034 HydrophobicContact CD1-CD2 4.18Å; L1028-Y1034 HydrophobicContact CD1-CE2 4.05Å; L1028-Y1034 HydrophobicContact CD2-CD1 4.47Å; L1028-Y1034 HydrophobicContact CD2-CD2 4.31Å; L1028-Y1034 HydrophobicContact CD2-CE1 4.04Å; L1028-Y1034 HydrophobicContact CD2-CE2 3.88Å; L1028-Y1034 HydrophobicContact CG-CE2 4.16Å; L1028-T1057 HydrophobicContact CB-CG2 3.8Å; L1028-T1057 HydrophobicContact CD1-CG2 3.96Å |
| 1029 | T | 81 | Confident | 85.8 | Confident | 79 Ų | 79 | 63 Ų | 63 | 49% | 0.485 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 148.8 | 174.4 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | P979 T1032 Y1034 T1057 | P979-T1029 CarbonylContact O-C 3.58Å; T1029-T1032 WeakPolarHBondContact O-CB 3.4Å; T1029-Y1034 PolarHBondContact N-OH 3.47Å; T1029-T1057 WeakPolarHBondContact O-CB 3.31Å; T1029-T1057 PolarHBondContact O-OG1 3.48Å |
| 1030 | E | 81.3 | Confident | 85.9 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 149.5 | 175.6 | 52.7 | 159.6 | -152.4 | 0 | 0 | 112.2 | P979 T1032 T1058 S1060 K1089 | P979-E1030 HydrophobicContact CB-CB 4.29Å; P979-E1030 WeakPolarHBondContact O-CA 3.36Å; P979-E1030 PolarHBondContact O-N 3.44Å; P979-E1030 VanDerWaalsContact O-N 3.15Å; E1030-T1032 VanDerWaalsContact C-N 3.26Å; E1030-T1032 PolarHBondContact O-N 2.93Å; E1030-T1032 PolarHBondContact O-OG1 2.98Å; E1030-T1058 VanDerWaalsContact CB-O 3.3Å; E1030-T1058 WeakPolarHBondContact CB-O 3.29Å; E1030-S1060 WeakPolarHBondContact OE2-CB 3.39Å; E1030-S1060 PolarHBondContact OE2-OG 3.16Å; E1030-K1089 WeakPolarHBondContact OE1-CD 3.42Å; E1030-K1089 WeakPolarHBondContact OE1-CE 3.38Å; E1030-K1089 IonicContact OE1-NZ 2.63Å; E1030-K1089 PolarHBondContact OE1-NZ 2.85Å |
| 1031 | S | 79.4 | Confident | 85.9 | Confident | 73 Ų | 73 | 58 Ų | 58 | 51% | 0.51 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 36.9 | -179.7 | -165 | 0 | 0 | 0 | 0 | 115 | T1057 T1058 | S1031-T1057 WeakPolarHBondContact CA-O 3.41Å; S1031-T1057 PolarHBondContact N-OG1 2.83Å; S1031-T1058 PolarHBondContact N-O 3.15Å |
| 1032 | T | 81.6 | Confident | 85.7 | Confident | 47 Ų | 47 | 55.1 Ų | 55.1 | 29% | 0.288 | 27% | 0.271 | S | S | . | . | trans | -127.9 | 142.9 | -173.6 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | T1029 E1030 Y1034 C1056 T1057 | T1029-T1032 WeakPolarHBondContact O-CB 3.4Å; E1030-T1032 VanDerWaalsContact C-N 3.26Å; E1030-T1032 PolarHBondContact O-N 2.93Å; E1030-T1032 PolarHBondContact O-OG1 2.98Å; T1032-Y1034 HydrophobicContact CG2-CE2 3.87Å; T1032-C1056 VanDerWaalsContact O-CA 3.29Å; T1032-C1056 WeakPolarHBondContact O-CA 3.33Å; T1032-T1057 PolarHBondContact N-OG1 2.81Å; T1032-T1057 PolarHBondContact O-N 3.15Å; T1032-T1057 PolarHBondContact O-OG1 3.2Å | ||
| 1033 | C | 85.1 | Confident | 85 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 48% | 0.48 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 150.6 | -175.5 | -55.5 | 0 | 0 | 0 | 0 | 113.4 | T1054 F1055 C1056 | C1033-T1054 HydrophobicContact CB-CG2 4.07Å; C1033-F1055 CarbonylContact C-O 3.54Å; C1033-F1055 VanDerWaalsContact CA-O 3.3Å; C1033-F1055 WeakPolarHBondContact CA-O 3.23Å; C1033-C1056 HydrophobicContact CB-CB 4.02Å; C1033-C1056 WeakPolarHBondContact CB-SG 3.32Å; C1033-C1056 WeakPolarHBondContact SG-CB 3.38Å; C1033-C1056 CovalentContact SG-SG 2.04Å; C1033-C1056 PolarHBondContact SG-SG 3.08Å |
| 1034 | Y | 87.4 | Confident | 83.8 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 20% | 0.2 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 141.7 | -175.9 | -57.5 | -93.3 | 0 | 0 | 0 | 111.2 | L982 I1005 L1028 T1029 T1032 F1036 T1054 F1055 | L982-Y1034 HydrophobicContact CD1-CD2 4.17Å; I1005-Y1034 HydrophobicContact CD1-CD1 4.47Å; L1028-Y1034 HydrophobicContact CB-CE2 3.91Å; L1028-Y1034 HydrophobicContact CD1-CD2 4.18Å; L1028-Y1034 HydrophobicContact CD1-CE2 4.05Å; L1028-Y1034 HydrophobicContact CD2-CD1 4.47Å; L1028-Y1034 HydrophobicContact CD2-CD2 4.31Å; L1028-Y1034 HydrophobicContact CD2-CE1 4.04Å; L1028-Y1034 HydrophobicContact CD2-CE2 3.88Å; L1028-Y1034 HydrophobicContact CG-CE2 4.16Å; T1029-Y1034 PolarHBondContact N-OH 3.47Å; T1032-Y1034 HydrophobicContact CG2-CE2 3.87Å; Y1034-F1036 WeakPolarHBondContact O-CE2 3.35Å; Y1034-T1054 CarbonylContact O-C 3.56Å; Y1034-T1054 VanDerWaalsContact O-CA 3.31Å; Y1034-T1054 WeakPolarHBondContact O-CA 3.36Å; Y1034-F1055 PolarHBondContact N-O 2.85Å; Y1034-F1055 PolarHBondContact O-N 2.93Å |
| 1035 | S | 89.6 | Confident | 82.9 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 148.9 | -176.7 | -37.1 | 0 | 0 | 0 | 0 | 113.2 | I1005 E1006 C1053 T1054 | I1005-S1035 CarbonylContact C-O 3.46Å; I1005-S1035 WeakPolarHBondContact CA-O 3.16Å; I1005-S1035 WeakPolarHBondContact CG1-O 3.12Å; E1006-S1035 PolarHBondContact N-O 3.19Å; E1006-S1035 WeakPolarHBondContact OE2-CB 3.33Å; E1006-S1035 PolarHBondContact OE2-OG 2.94Å; S1035-C1053 CarbonylContact C-O 3.56Å; S1035-C1053 WeakPolarHBondContact CA-O 3.33Å; S1035-T1054 PolarHBondContact OG-OG1 3Å |
| 1036 | F | 91.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 157.6 | -173.3 | -57.1 | -94.9 | 0 | 0 | 0 | 112.8 | L972 L982 L984 L1003 Q1004 I1005 I1015 I1025 Y1034 I1052 C1053 F1055 | L972-F1036 HydrophobicContact CD2-CB 3.79Å; L982-F1036 HydrophobicContact CD1-CE2 4.31Å; L982-F1036 HydrophobicContact CD1-CZ 4.43Å; L984-F1036 HydrophobicContact CD1-CB 4.31Å; L984-F1036 HydrophobicContact CD1-CD1 3.58Å; L984-F1036 HydrophobicContact CD1-CD2 3.88Å; L984-F1036 HydrophobicContact CD1-CE1 3.71Å; L984-F1036 HydrophobicContact CD1-CE2 4.02Å; L984-F1036 HydrophobicContact CD1-CG 3.66Å; L984-F1036 HydrophobicContact CD1-CZ 3.94Å; L1003-F1036 HydrophobicContact CD1-CB 4.39Å; Q1004-F1036 CarbonylContact O-C 3.57Å; Q1004-F1036 WeakPolarHBondContact O-CA 3.34Å; I1005-F1036 HydrophobicContact CB-CD1 3.88Å; I1005-F1036 HydrophobicContact CB-CE1 3.88Å; I1005-F1036 HydrophobicContact CD1-CD1 4.32Å; I1005-F1036 HydrophobicContact CD1-CE1 3.5Å; I1005-F1036 HydrophobicContact CD1-CZ 3.72Å; I1005-F1036 HydrophobicContact CG1-CD1 3.77Å; I1005-F1036 HydrophobicContact CG1-CE1 3.46Å; I1005-F1036 VanDerWaalsContact CG1-CE1 3.46Å; I1005-F1036 HydrophobicContact CG1-CG 4.47Å; I1005-F1036 HydrophobicContact CG1-CZ 3.92Å; I1015-F1036 HydrophobicContact CD1-CD1 3.99Å; I1015-F1036 HydrophobicContact CD1-CE1 3.83Å; I1025-F1036 HydrophobicContact CD1-CE1 4.01Å; I1025-F1036 HydrophobicContact CD1-CZ 4.19Å; I1025-F1036 HydrophobicContact CG1-CE1 4.3Å; Y1034-F1036 WeakPolarHBondContact O-CE2 3.35Å; F1036-I1052 CarbonylContact O-C 3.55Å; F1036-I1052 WeakPolarHBondContact O-CA 3.33Å; F1036-C1053 PolarHBondContact N-O 2.73Å; F1036-C1053 PolarHBondContact O-N 2.93Å; F1036-F1055 AromaticContact CD2-CD2 3.78Å; F1036-F1055 HydrophobicContact CD2-CD2 3.78Å; F1036-F1055 HydrophobicContact CD2-CE2 4.28Å; F1036-F1055 HydrophobicContact CE2-CD2 4.05Å |
| 1037 | R | 90.1 | Very high | 82 | Confident | 67 Ų | 67 | 50.3 Ų | 50.3 | 25% | 0.253 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 161.1 | 169.5 | 70.1 | 179.4 | -172.7 | 162.4 | 3.9 | 111.8 | Q1004 F1012 F1049 I1052 | Q1004-R1037 HydrophobicContact CB-CG 4.19Å; Q1004-R1037 PolarHBondContact N-O 2.97Å; Q1004-R1037 PolarHBondContact O-N 3.12Å; Q1004-R1037 VanDerWaalsContact OE1-CZ 3.28Å; F1012-R1037 HydrophobicContact CD1-CG 3.77Å; F1012-R1037 HydrophobicContact CE1-CB 4.49Å; F1012-R1037 HydrophobicContact CE1-CG 4.15Å; F1012-R1037 HydrophobicContact CG-CG 4.11Å; R1037-F1049 HydrophobicContact CG-CD1 4.14Å; R1037-I1052 HydrophobicContact CB-CG1 4.36Å |
| 1038 | I | 89.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 148.5 | -173.9 | -174.2 | 168.8 | 0 | 0 | 0 | 113.7 | P970 L972 W986 I1002 L1003 F1049 S1050 | P970-I1038 HydrophobicContact CG-CD1 4.27Å; P970-I1038 HydrophobicContact CG-CG1 3.98Å; P970-I1038 HydrophobicContact CG-CG2 4.02Å; P970-I1038 WeakPolarHBondContact O-CG2 3.44Å; L972-I1038 HydrophobicContact CB-CG2 3.94Å; L972-I1038 HydrophobicContact CD1-CG2 4.49Å; L972-I1038 HydrophobicContact CD2-CG2 4.22Å; L972-I1038 HydrophobicContact CG-CG2 4.45Å; W986-I1038 HydrophobicContact CB-CD1 3.86Å; W986-I1038 HydrophobicContact CD2-CD1 3.38Å; W986-I1038 HydrophobicContact CE3-CD1 4.1Å; W986-I1038 HydrophobicContact CG-CD1 3.27Å; W986-I1038 HydrophobicContact CZ2-CD1 4.24Å; I1002-I1038 VanDerWaalsContact O-CA 3.26Å; I1002-I1038 WeakPolarHBondContact O-CA 3.44Å; I1002-I1038 WeakPolarHBondContact O-CG1 3.29Å; L1003-I1038 HydrophobicContact CB-CD1 4.33Å; L1003-I1038 HydrophobicContact CB-CG1 4.41Å; L1003-I1038 HydrophobicContact CD1-CB 4.07Å; L1003-I1038 HydrophobicContact CD1-CD1 4.46Å; I1038-F1049 CarbonylContact O-C 3.6Å; I1038-F1049 WeakPolarHBondContact O-CA 3.38Å; I1038-S1050 WeakPolarHBondContact CG2-OG 3.3Å; I1038-S1050 PolarHBondContact N-OG 2.59Å; I1038-S1050 WeakPolarHBondContact O-CB 3.34Å; I1038-S1050 PolarHBondContact O-N 2.81Å; I1038-S1050 PolarHBondContact O-OG 2.93Å |
| 1039 | Q | 88.1 | Confident | 81.7 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 171 | 168.2 | 76.9 | 180 | 38.3 | 0 | 0 | 112.4 | Y1001 I1002 E1046 P1048 F1049 | Y1001-Q1039 VanDerWaalsContact CA-O 3.31Å; Y1001-Q1039 WeakPolarHBondContact CA-O 3.25Å; I1002-Q1039 HydrophobicContact CB-CG 4.13Å; I1002-Q1039 HydrophobicContact CD1-CG 4.4Å; I1002-Q1039 HydrophobicContact CG1-CG 4.38Å; I1002-Q1039 PolarHBondContact N-O 2.85Å; I1002-Q1039 PolarHBondContact O-N 2.6Å; I1002-Q1039 VanDerWaalsContact O-N 3.08Å; Q1039-E1046 VanDerWaalsContact NE2-CD 3.28Å; Q1039-E1046 PolarHBondContact NE2-OE2 3.33Å; Q1039-P1048 WeakPolarHBondContact CB-O 3.23Å; Q1039-F1049 HydrophobicContact CB-CD1 3.84Å; Q1039-F1049 HydrophobicContact CB-CE1 4.15Å; Q1039-F1049 HydrophobicContact CB-CG 4.19Å; Q1039-F1049 HydrophobicContact CG-CD1 4.26Å; Q1039-F1049 HydrophobicContact CG-CE1 4.05Å; Q1039-F1049 HydrophobicContact CG-CZ 4.42Å |
| 1040 | A | 84.1 | Confident | 81.9 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 158.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P967 P970 V1000 Y1001 G1047 | P967-A1040 HydrophobicContact CB-CB 4.33Å; P967-A1040 HydrophobicContact CG-CB 4.15Å; P970-A1040 HydrophobicContact CG-CB 4.26Å; V1000-A1040 CarbonylContact O-C 3.58Å; V1000-A1040 WeakPolarHBondContact O-CA 3.18Å; Y1001-A1040 HydrophobicContact CD1-CB 3.82Å; Y1001-A1040 HydrophobicContact CE1-CB 3.86Å; A1040-G1047 WeakPolarHBondContact O-CA 3.48Å; A1040-G1047 PolarHBondContact O-N 2.85Å |
| 1041 | V | 82.1 | Confident | 82 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 142.8 | -175.9 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | M999 V1000 E1046 | M999-V1041 WeakPolarHBondContact CA-O 3.35Å; V1000-V1041 HydrophobicContact CB-CB 4.45Å; V1000-V1041 PolarHBondContact N-O 2.87Å; V1000-V1041 PolarHBondContact O-N 2.89Å; V1041-E1046 HydrophobicContact CG1-CG 4Å; V1041-E1046 HydrophobicContact CG2-CB 4.11Å; V1041-E1046 HydrophobicContact CG2-CG 3.81Å |
| 1042 | N | 78.7 | Confident | 82.4 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | -174.8 | 171.5 | 76.2 | -1.2 | 0 | 0 | 0 | 111.5 | L965 P967 A1044 G1045 | L965-N1042 PolarHBondContact O-ND2 3.44Å; P967-N1042 WeakPolarHBondContact CD-OD1 3.4Å; P967-N1042 HydrophobicContact CG-CB 4.46Å; N1042-A1044 PolarHBondContact O-N 3.01Å; N1042-A1044 WeakPolarHBondContact OD1-CA 3.4Å; N1042-A1044 WeakPolarHBondContact OD1-CB 3.49Å; N1042-A1044 PolarHBondContact OD1-N 2.88Å; N1042-G1045 PolarHBondContact N-O 2.82Å; N1042-G1045 VanDerWaalsContact N-O 3.11Å; N1042-G1045 PolarHBondContact O-N 3.37Å; N1042-G1045 PolarHBondContact OD1-N 2.86Å |
| 1043 | D | 69.4 | Low | 82.6 | Confident | 121 Ų | 121 | 49.6 Ų | 49.6 | 65% | 0.647 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -16.6 | 179.5 | -58.1 | -9.8 | 0 | 0 | 0 | 115.8 | ||
| 1044 | A | 65.6 | Low | 82.7 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 26% | 0.264 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -6.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P964 L965 P966 N1042 | P964-A1044 HydrophobicContact CG-CB 4.45Å; P964-A1044 WeakPolarHBondContact O-CB 3.2Å; L965-A1044 VanDerWaalsContact C-CB 3.5Å; P966-A1044 HydrophobicContact CG-CB 4.15Å; N1042-A1044 PolarHBondContact O-N 3.01Å; N1042-A1044 WeakPolarHBondContact OD1-CA 3.4Å; N1042-A1044 WeakPolarHBondContact OD1-CB 3.49Å; N1042-A1044 PolarHBondContact OD1-N 2.88Å |
| 1045 | G | 69.7 | Low | 82.8 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 31% | 0.309 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.2 | -173.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | N1042 | N1042-G1045 PolarHBondContact N-O 2.82Å; N1042-G1045 VanDerWaalsContact N-O 3.11Å; N1042-G1045 PolarHBondContact O-N 3.37Å; N1042-G1045 PolarHBondContact OD1-N 2.86Å |
| 1046 | E | 79.1 | Confident | 82.5 | Confident | 113 Ų | 113 | 51.4 Ų | 51.4 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 125.8 | 173.2 | -57.5 | -154.1 | 152.8 | 0 | 0 | 110.8 | R1017 Q1039 V1041 | R1017-E1046 IonicContact NH2-OE1 3.23Å; Q1039-E1046 VanDerWaalsContact NE2-CD 3.28Å; Q1039-E1046 PolarHBondContact NE2-OE2 3.33Å; V1041-E1046 HydrophobicContact CG1-CG 4Å; V1041-E1046 HydrophobicContact CG2-CB 4.11Å; V1041-E1046 HydrophobicContact CG2-CG 3.81Å |
| 1047 | G | 77.4 | Confident | 82.1 | Confident | 4 Ų | 4 | 52 Ų | 52 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 163.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P967 A1040 | P967-G1047 WeakPolarHBondContact O-CA 3.38Å; A1040-G1047 WeakPolarHBondContact O-CA 3.48Å; A1040-G1047 PolarHBondContact O-N 2.85Å |
| 1048 | P | 82.1 | Confident | 81.7 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 51% | 0.506 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 161.2 | -176.1 | 29.9 | -36 | 0 | 0 | 0 | 113.2 | P969 Q1039 | P969-P1048 HydrophobicContact CB-CG 4.3Å; P969-P1048 WeakPolarHBondContact CB-O 3.43Å; P969-P1048 HydrophobicContact CG-CG 4.2Å; Q1039-P1048 WeakPolarHBondContact CB-O 3.23Å |
| 1049 | F | 83.4 | Confident | 81.2 | Confident | 73 Ų | 73 | 54.8 Ų | 54.8 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 148.4 | 170.4 | -75 | -78.1 | 0 | 0 | 0 | 112.5 | Q1004 R1037 I1038 Q1039 | Q1004-F1049 HydrophobicContact CG-CE1 4.33Å; R1037-F1049 HydrophobicContact CG-CD1 4.14Å; I1038-F1049 CarbonylContact O-C 3.6Å; I1038-F1049 WeakPolarHBondContact O-CA 3.38Å; Q1039-F1049 HydrophobicContact CB-CD1 3.84Å; Q1039-F1049 HydrophobicContact CB-CE1 4.15Å; Q1039-F1049 HydrophobicContact CB-CG 4.19Å; Q1039-F1049 HydrophobicContact CG-CD1 4.26Å; Q1039-F1049 HydrophobicContact CG-CE1 4.05Å; Q1039-F1049 HydrophobicContact CG-CZ 4.42Å |
| 1050 | S | 84.1 | Confident | 80.7 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 166.1 | 165.3 | 77 | 0 | 0 | 0 | 0 | 112.3 | I1038 | I1038-S1050 WeakPolarHBondContact CG2-OG 3.3Å; I1038-S1050 PolarHBondContact N-OG 2.59Å; I1038-S1050 WeakPolarHBondContact O-CB 3.34Å; I1038-S1050 PolarHBondContact O-N 2.81Å; I1038-S1050 PolarHBondContact O-OG 2.93Å |
| 1051 | E | 84.6 | Confident | 80.4 | Confident | 170 Ų | 170 | 60.9 Ų | 60.9 | 79% | 0.794 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 162.7 | 160.2 | -60.3 | -174.4 | 163.7 | 0 | 0 | 112 | ||
| 1052 | I | 88.6 | Confident | 80.2 | Confident | 100 Ų | 100 | 60.4 Ų | 60.4 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 124 | -179.4 | -63.2 | 163.8 | 0 | 0 | 0 | 109.4 | F1012 F1036 R1037 | F1012-I1052 HydrophobicContact CE1-CG1 4.39Å; F1012-I1052 HydrophobicContact CE1-CG2 4.19Å; F1012-I1052 HydrophobicContact CE2-CD1 3.7Å; F1012-I1052 HydrophobicContact CE2-CG1 4.18Å; F1012-I1052 HydrophobicContact CZ-CB 4.37Å; F1012-I1052 HydrophobicContact CZ-CD1 3.62Å; F1012-I1052 HydrophobicContact CZ-CG1 3.7Å; F1012-I1052 HydrophobicContact CZ-CG2 3.71Å; F1036-I1052 CarbonylContact O-C 3.55Å; F1036-I1052 WeakPolarHBondContact O-CA 3.33Å; R1037-I1052 HydrophobicContact CB-CG1 4.36Å |
| 1053 | C | 84.6 | Confident | 80.1 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 21% | 0.209 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.3 | -178.8 | -51.4 | 0 | 0 | 0 | 0 | 111.5 | L972 S1035 F1036 F1055 | L972-C1053 HydrophobicContact CD2-CB 4.3Å; S1035-C1053 CarbonylContact C-O 3.56Å; S1035-C1053 WeakPolarHBondContact CA-O 3.33Å; F1036-C1053 PolarHBondContact N-O 2.73Å; F1036-C1053 PolarHBondContact O-N 2.93Å; C1053-F1055 HydrophobicContact CB-CE1 4.42Å; C1053-F1055 HydrophobicContact CB-CE2 3.74Å; C1053-F1055 HydrophobicContact CB-CZ 3.58Å |
| 1054 | T | 87.9 | Confident | 80.4 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 47% | 0.472 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.7 | -177.4 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | C1033 Y1034 S1035 | C1033-T1054 HydrophobicContact CB-CG2 4.07Å; Y1034-T1054 CarbonylContact O-C 3.56Å; Y1034-T1054 VanDerWaalsContact O-CA 3.31Å; Y1034-T1054 WeakPolarHBondContact O-CA 3.36Å; S1035-T1054 PolarHBondContact OG-OG1 3Å |
| 1055 | F | 88.4 | Confident | 81.1 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 18% | 0.18 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 150.5 | -174.5 | -51.6 | -65.9 | 0 | 0 | 0 | 112.2 | C974 L982 L984 C1033 Y1034 F1036 C1053 | C974-F1055 HydrophobicContact CB-CB 4.1Å; C974-F1055 HydrophobicContact CB-CD1 3.34Å; C974-F1055 HydrophobicContact CB-CD2 3.96Å; C974-F1055 HydrophobicContact CB-CE1 3.6Å; C974-F1055 HydrophobicContact CB-CE2 4.19Å; C974-F1055 HydrophobicContact CB-CG 3.52Å; C974-F1055 HydrophobicContact CB-CZ 4.02Å; L982-F1055 HydrophobicContact CD1-CB 4.03Å; L982-F1055 HydrophobicContact CD2-CB 4.14Å; L984-F1055 HydrophobicContact CD1-CD2 4.45Å; L984-F1055 HydrophobicContact CD1-CE2 4.43Å; L984-F1055 HydrophobicContact CD2-CD2 3.48Å; L984-F1055 VanDerWaalsContact CD2-CD2 3.48Å; L984-F1055 HydrophobicContact CD2-CE2 3.69Å; L984-F1055 HydrophobicContact CD2-CG 4.25Å; C1033-F1055 CarbonylContact C-O 3.54Å; C1033-F1055 VanDerWaalsContact CA-O 3.3Å; C1033-F1055 WeakPolarHBondContact CA-O 3.23Å; Y1034-F1055 PolarHBondContact N-O 2.85Å; Y1034-F1055 PolarHBondContact O-N 2.93Å; F1036-F1055 AromaticContact CD2-CD2 3.78Å; F1036-F1055 HydrophobicContact CD2-CD2 3.78Å; F1036-F1055 HydrophobicContact CD2-CE2 4.28Å; F1036-F1055 HydrophobicContact CE2-CD2 4.05Å; C1053-F1055 HydrophobicContact CB-CE1 4.42Å; C1053-F1055 HydrophobicContact CB-CE2 3.74Å; C1053-F1055 HydrophobicContact CB-CZ 3.58Å |
| 1056 | C | 83.4 | Confident | 81.5 | Confident | 58 Ų | 58 | 64.1 Ų | 64.1 | 39% | 0.392 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153.2 | -168.5 | -44.7 | 0 | 0 | 0 | 0 | 114.5 | A977 T1032 C1033 | A977-C1056 WeakPolarHBondContact CB-O 3.49Å; T1032-C1056 VanDerWaalsContact O-CA 3.29Å; T1032-C1056 WeakPolarHBondContact O-CA 3.33Å; C1033-C1056 HydrophobicContact CB-CB 4.02Å; C1033-C1056 WeakPolarHBondContact CB-SG 3.32Å; C1033-C1056 WeakPolarHBondContact SG-CB 3.38Å; C1033-C1056 CovalentContact SG-SG 2.04Å; C1033-C1056 PolarHBondContact SG-SG 3.08Å |
| 1057 | T | 84.1 | Confident | 81.7 | Confident | 11 Ų | 11 | 61 Ų | 61 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | trans | -90.5 | 167.5 | 176.9 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | G978 L982 L1028 T1029 S1031 T1032 | G978-T1057 VanDerWaalsContact O-CB 3.24Å; G978-T1057 WeakPolarHBondContact O-CB 3.45Å; G978-T1057 WeakPolarHBondContact O-CG2 3.48Å; L982-T1057 HydrophobicContact CG-CG2 4.49Å; L1028-T1057 HydrophobicContact CB-CG2 3.8Å; L1028-T1057 HydrophobicContact CD1-CG2 3.96Å; T1029-T1057 WeakPolarHBondContact O-CB 3.31Å; T1029-T1057 PolarHBondContact O-OG1 3.48Å; S1031-T1057 WeakPolarHBondContact CA-O 3.41Å; S1031-T1057 PolarHBondContact N-OG1 2.83Å; T1032-T1057 PolarHBondContact N-OG1 2.81Å; T1032-T1057 PolarHBondContact O-N 3.15Å; T1032-T1057 PolarHBondContact O-OG1 3.2Å | ||
| 1058 | T | 80.4 | Confident | 82 | Confident | 64 Ų | 64 | 61 Ų | 61 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | trans | -106.3 | 171.9 | -172 | 55.1 | 0 | 0 | 0 | 0 | 114.8 | G978 P979 E1030 S1031 | G978-T1058 VanDerWaalsContact C-OG1 3.31Å; G978-T1058 WeakPolarHBondContact CA-OG1 3.46Å; P979-T1058 WeakPolarHBondContact CA-O 3.36Å; P979-T1058 VanDerWaalsContact CD-OG1 3.31Å; P979-T1058 WeakPolarHBondContact CD-OG1 3.46Å; E1030-T1058 VanDerWaalsContact CB-O 3.3Å; E1030-T1058 WeakPolarHBondContact CB-O 3.29Å; S1031-T1058 PolarHBondContact N-O 3.15Å | ||
| 1059 | K | 78.6 | Confident | 81.8 | Confident | 63 Ų | 63 | 66.8 Ų | 66.8 | 27% | 0.274 | 36% | 0.361 | S | S | . | . | trans | -87.9 | 174.1 | -179.2 | -86.6 | -168.9 | 172 | -173.6 | 0 | 114.4 | D1091 D1141 | K1059-D1091 IonicContact NZ-OD1 2.73Å; K1059-D1091 PolarHBondContact NZ-OD1 3.45Å; K1059-D1091 IonicContact NZ-OD2 2.72Å; K1059-D1091 PolarHBondContact NZ-OD2 3.13Å; K1059-D1141 WeakPolarHBondContact CE-OD2 3.27Å; K1059-D1141 IonicContact NZ-OD1 2.88Å; K1059-D1141 PolarHBondContact NZ-OD1 3.03Å; K1059-D1141 IonicContact NZ-OD2 3.69Å; K1059-D1141 PolarHBondContact NZ-OD2 3.1Å | ||
| 1060 | S | 78.6 | Confident | 81.7 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | trans | -121.6 | 155.3 | -170.8 | 47 | 0 | 0 | 0 | 0 | 115.3 | E1030 R1137 | E1030-S1060 WeakPolarHBondContact OE2-CB 3.39Å; E1030-S1060 PolarHBondContact OE2-OG 3.16Å; S1060-R1137 PolarHBondContact O-NH1 3.5Å; S1060-R1137 PolarHBondContact OG-NH1 3.46Å | ||
| 1061 | V | 78.1 | Confident | 81.3 | Confident | 102 Ų | 102 | 67.3 Ų | 67.3 | 62% | 0.618 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -101.1 | 163.7 | -173 | -64.1 | 0 | 0 | 0 | 0 | 114.7 | L1146 | V1061-L1146 HydrophobicContact CG1-CB 4.32Å; V1061-L1146 HydrophobicContact CG1-CD1 4.16Å; V1061-L1146 HydrophobicContact CG1-CD2 4.4Å |
| 1062 | P | 78 | Confident | 80.9 | Confident | 13 Ų | 13 | 64 Ų | 64 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -90.7 | 165.2 | -169.6 | -12.1 | 33.2 | 0 | 0 | 0 | 116.9 | M1088 R1137 L1146 | P1062-M1088 HydrophobicContact CB-SD 3.71Å; P1062-M1088 HydrophobicContact CG-SD 4.02Å; P1062-R1137 HydrophobicContact CB-CB 4.44Å; P1062-R1137 HydrophobicContact CG-CB 3.39Å; P1062-L1146 WeakPolarHBondContact CD-O 3.24Å; P1062-L1146 VanDerWaalsContact CG-O 3.24Å; P1062-L1146 WeakPolarHBondContact CG-O 3.42Å |
| 1063 | P | 75.3 | Confident | 80.2 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 173.7 | -179.9 | 36.1 | -36.8 | 0 | 0 | 0 | 115 | ||
| 1064 | A | 75.6 | Confident | 79.1 | Confident | 66 Ų | 66 | 70.5 Ų | 70.5 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 160.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1149 | A1064-P1149 HydrophobicContact CB-CG 3.67Š|
| 1065 | I | 81.3 | Confident | 77.9 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | trans | -130.4 | 167.6 | 177.5 | 60.4 | 169.3 | 0 | 0 | 0 | 114.2 | V1085 Y1095 V1133 V1135 S1151 | I1065-V1085 HydrophobicContact CG2-CG2 3.45Å; I1065-V1085 VanDerWaalsContact CG2-CG2 3.45Å; I1065-Y1095 HydrophobicContact CD1-CD1 4.36Å; I1065-V1133 HydrophobicContact CD1-CG1 3.69Å; I1065-V1133 HydrophobicContact CD1-CG2 4.24Å; I1065-V1133 HydrophobicContact CG1-CG1 4.37Å; I1065-V1135 HydrophobicContact CB-CG2 4.3Å; I1065-V1135 HydrophobicContact CD1-CG2 3.54Å; I1065-V1135 HydrophobicContact CG1-CG2 3.79Å; I1065-V1135 HydrophobicContact CG2-CG2 3.59Å; I1065-S1151 WeakPolarHBondContact O-CB 3.47Å | ||
| 1066 | K | 78.8 | Confident | 77.2 | Confident | 134 Ų | 134 | 70.8 Ų | 70.8 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 164.7 | -178.5 | -54.2 | -173.2 | -163.7 | 77.7 | 0 | 112.6 | E1083 S1151 | K1066-E1083 WeakPolarHBondContact CG-OE2 3.36Å; K1066-E1083 IonicContact NZ-OE1 2.77Å; K1066-E1083 PolarHBondContact NZ-OE1 3.11Å; K1066-E1083 IonicContact NZ-OE2 3.26Å; K1066-E1083 PolarHBondContact NZ-OE2 3.27Å; K1066-S1151 VanDerWaalsContact O-CB 3.3Å; K1066-S1151 WeakPolarHBondContact O-CB 3.21Å |
| 1067 | A | 82.8 | Confident | 76.5 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 38% | 0.38 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 148.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1152 | A1067-P1152 HydrophobicContact CB-CB 4.16Å; A1067-P1152 VanDerWaalsContact CB-O 3.3Å; A1067-P1152 WeakPolarHBondContact CB-O 3.45Å |
| 1068 | P | 82.8 | Confident | 76.3 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.032 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 162.7 | 178.3 | 30.2 | -34.2 | 0 | 0 | 0 | 112.5 | I1080 T1081 W1082 L1097 F1131 V1154 | P1068-I1080 HydrophobicContact CB-CG2 3.85Å; P1068-I1080 HydrophobicContact CG-CG2 4.35Å; P1068-T1081 CarbonylContact C-O 3.53Å; P1068-T1081 WeakPolarHBondContact CA-O 3.42Å; P1068-T1081 VanDerWaalsContact CB-O 3.28Å; P1068-T1081 WeakPolarHBondContact CB-O 3.45Å; P1068-W1082 HydrophobicContact CB-CB 4.36Å; P1068-L1097 HydrophobicContact CG-CD1 4.44Å; P1068-F1131 HydrophobicContact CG-CB 4.08Å; P1068-F1131 WeakPolarHBondContact CG-O 3.39Å; P1068-V1154 HydrophobicContact CG-CG1 4.11Å; P1068-V1154 WeakPolarHBondContact O-CG1 2.97Å |
| 1069 | R | 77.4 | Confident | 76.2 | Confident | 200 Ų | 200 | 67.9 Ų | 67.9 | 76% | 0.755 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 149.5 | 168.8 | -74.8 | -179 | 165.9 | -166 | -4.9 | 110.6 | I1080 T1081 | R1069-I1080 CarbonylContact O-C 3.52Å; R1069-I1080 VanDerWaalsContact O-CA 3.26Å; R1069-I1080 WeakPolarHBondContact O-CA 3.33Å; R1069-T1081 PolarHBondContact N-O 3.44Å; R1069-T1081 PolarHBondContact O-N 2.65Å |
| 1070 | V | 81.3 | Confident | 76.6 | Confident | 28 Ų | 28 | 64.9 Ų | 64.9 | 17% | 0.17 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.4 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | C1078 E1079 I1080 F1131 V1154 F1156 | V1070-C1078 HydrophobicContact CG1-CB 3.98Å; V1070-E1079 CarbonylContact C-O 3.51Å; V1070-E1079 VanDerWaalsContact CA-O 3.23Å; V1070-E1079 WeakPolarHBondContact CA-O 3.16Å; V1070-I1080 HydrophobicContact CG1-CG1 4.39Å; V1070-I1080 HydrophobicContact CG2-CB 4.43Å; V1070-I1080 HydrophobicContact CG2-CG1 3.89Å; V1070-I1080 HydrophobicContact CG2-CG2 4.15Å; V1070-F1131 HydrophobicContact CG1-CE2 4.44Å; V1070-F1131 HydrophobicContact CG2-CD2 3.62Å; V1070-F1131 HydrophobicContact CG2-CE2 4.07Å; V1070-F1131 HydrophobicContact CG2-CG 4.28Å; V1070-V1154 HydrophobicContact CG2-CG1 3.6Å; V1070-F1156 HydrophobicContact CG1-CB 3.96Å; V1070-F1156 HydrophobicContact CG1-CD1 4.2Å; V1070-F1156 HydrophobicContact CG1-CD2 3.76Å; V1070-F1156 HydrophobicContact CG1-CE2 4.35Å; V1070-F1156 HydrophobicContact CG1-CG 3.68Å |
| 1071 | T | 76.9 | Confident | 76.4 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 47% | 0.466 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 133.3 | 178.8 | 30 | 0 | 0 | 0 | 0 | 111.3 | C1078 E1079 | T1071-C1078 CarbonylContact O-C 3.28Å; T1071-C1078 WeakPolarHBondContact O-CA 3.14Å; T1071-C1078 VanDerWaalsContact O-CB 3.27Å; T1071-C1078 WeakPolarHBondContact O-CB 3.45Å; T1071-E1079 PolarHBondContact N-O 3.25Å; T1071-E1079 PolarHBondContact O-N 3.47Å |
| 1072 | Q | 76 | Confident | 76.8 | Confident | 101 Ų | 101 | 61.2 Ų | 61.2 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 145 | 178.4 | -171.9 | 166.9 | -18.2 | 0 | 0 | 111.7 | F1156 L1158 | Q1072-F1156 HydrophobicContact CB-CE2 3.88Å; Q1072-F1156 HydrophobicContact CB-CZ 3.69Å; Q1072-F1156 HydrophobicContact CG-CZ 3.95Å; Q1072-L1158 HydrophobicContact CG-CD1 4.14Å |
| 1073 | L | 74.3 | Confident | 77 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 34% | 0.34 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 164.7 | 171.8 | -58.8 | 173.5 | 0 | 0 | 0 | 109.7 | G1075 A1077 Q1119 | L1073-G1075 PolarHBondContact O-N 3.5Å; L1073-A1077 HydrophobicContact CB-CB 4.23Å; L1073-A1077 PolarHBondContact N-O 3.28Å; L1073-Q1119 HydrophobicContact CD1-CG 4.5Å |
| 1074 | E | 60.7 | Low | 77.2 | Confident | 202 Ų | 202 | 66 Ų | 66 | 94% | 0.944 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 138.4 | 178.8 | -70.8 | -164.9 | 148.6 | 0 | 0 | 112.1 | ||
| 1075 | G | 63.6 | Low | 77.3 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -146 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1073 A1077 | L1073-G1075 PolarHBondContact O-N 3.5Å; G1075-A1077 PolarHBondContact O-N 3.4Å |
| 1076 | N | 72.6 | Confident | 77.1 | Confident | 74 Ų | 74 | 67.9 Ų | 67.9 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 56.3 | -171.3 | -72.8 | 40.2 | 0 | 0 | 0 | 112.1 | S1121 G1122 L1123 L1158 | N1076-S1121 CarbonylContact O-C 3.55Å; N1076-G1122 PolarHBondContact O-N 3.38Å; N1076-L1123 WeakPolarHBondContact CB-O 3.31Å; N1076-L1123 PolarHBondContact ND2-O 3.25Å; N1076-L1123 PolarHBondContact O-N 3.19Å; N1076-L1158 HydrophobicContact CB-CD2 4.2Å |
| 1077 | A | 70.4 | Confident | 77 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 13% | 0.132 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 157.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1073 G1075 I1120 | L1073-A1077 HydrophobicContact CB-CB 4.23Å; L1073-A1077 PolarHBondContact N-O 3.28Å; G1075-A1077 PolarHBondContact O-N 3.4Å; A1077-I1120 CarbonylContact C-O 3.54Å; A1077-I1120 VanDerWaalsContact CA-O 3.23Å; A1077-I1120 WeakPolarHBondContact CA-O 3.31Å; A1077-I1120 WeakPolarHBondContact CB-O 3.38Å |
| 1078 | C | 79.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 162.2 | 170.7 | 73.4 | 0 | 0 | 0 | 0 | 112.3 | V1070 T1071 Q1119 I1120 L1123 F1156 | V1070-C1078 HydrophobicContact CG1-CB 3.98Å; T1071-C1078 CarbonylContact O-C 3.28Å; T1071-C1078 WeakPolarHBondContact O-CA 3.14Å; T1071-C1078 VanDerWaalsContact O-CB 3.27Å; T1071-C1078 WeakPolarHBondContact O-CB 3.45Å; C1078-Q1119 WeakPolarHBondContact O-CA 3.43Å; C1078-I1120 PolarHBondContact N-O 2.86Å; C1078-I1120 PolarHBondContact O-N 2.95Å; C1078-L1123 HydrophobicContact CB-CD1 4.01Å; C1078-F1156 HydrophobicContact CB-CD1 4.26Å; C1078-F1156 HydrophobicContact CB-CE1 3.68Å; C1078-F1156 HydrophobicContact CB-CZ 3.86Å |
| 1079 | E | 78.1 | Confident | 76.2 | Confident | 56 Ų | 56 | 73 Ų | 73 | 26% | 0.262 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.3 | 174.9 | -176.8 | 169.3 | -102.7 | 0 | 0 | 110.5 | V1070 T1071 T1081 Q1119 | V1070-E1079 CarbonylContact C-O 3.51Å; V1070-E1079 VanDerWaalsContact CA-O 3.23Å; V1070-E1079 WeakPolarHBondContact CA-O 3.16Å; T1071-E1079 PolarHBondContact N-O 3.25Å; T1071-E1079 PolarHBondContact O-N 3.47Å; E1079-T1081 HydrophobicContact CG-CG2 4.09Å; E1079-Q1119 HydrophobicContact CB-CG 3.92Å; E1079-Q1119 HydrophobicContact CG-CG 3.83Å; E1079-Q1119 WeakPolarHBondContact OE1-CG 3.35Å; E1079-Q1119 PolarHBondContact OE1-NE2 2.92Å |
| 1080 | I | 85.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.5 | -178.7 | -51.5 | 98.9 | 0 | 0 | 0 | 110.1 | P1068 R1069 V1070 W1082 L1097 T1117 F1118 I1120 F1131 | P1068-I1080 HydrophobicContact CB-CG2 3.85Å; P1068-I1080 HydrophobicContact CG-CG2 4.35Å; R1069-I1080 CarbonylContact O-C 3.52Å; R1069-I1080 VanDerWaalsContact O-CA 3.26Å; R1069-I1080 WeakPolarHBondContact O-CA 3.33Å; V1070-I1080 HydrophobicContact CG1-CG1 4.39Å; V1070-I1080 HydrophobicContact CG2-CB 4.43Å; V1070-I1080 HydrophobicContact CG2-CG1 3.89Å; V1070-I1080 HydrophobicContact CG2-CG2 4.15Å; I1080-W1082 HydrophobicContact CG2-CZ3 4.48Å; I1080-L1097 HydrophobicContact CB-CD2 4.29Å; I1080-L1097 HydrophobicContact CG2-CD1 4.04Å; I1080-L1097 HydrophobicContact CG2-CD2 4.05Å; I1080-T1117 CarbonylContact O-C 3.57Å; I1080-T1117 WeakPolarHBondContact O-CA 3.25Å; I1080-F1118 WeakPolarHBondContact CD1-O 3.34Å; I1080-F1118 PolarHBondContact N-O 3.41Å; I1080-F1118 PolarHBondContact O-N 2.79Å; I1080-I1120 HydrophobicContact CD1-CB 4.45Å; I1080-I1120 HydrophobicContact CD1-CD1 4.04Å; I1080-I1120 HydrophobicContact CD1-CG1 4.18Å; I1080-F1131 HydrophobicContact CD1-CD1 4.12Å; I1080-F1131 HydrophobicContact CD1-CE1 3.66Å; I1080-F1131 HydrophobicContact CD1-CZ 3.95Å; I1080-F1131 HydrophobicContact CG1-CD1 3.83Å; I1080-F1131 HydrophobicContact CG1-CD2 4.28Å; I1080-F1131 HydrophobicContact CG1-CE1 3.81Å; I1080-F1131 HydrophobicContact CG1-CE2 4.25Å; I1080-F1131 HydrophobicContact CG1-CG 4.06Å; I1080-F1131 HydrophobicContact CG1-CZ 4.01Å; I1080-F1131 HydrophobicContact CG2-CB 4.15Å; I1080-F1131 HydrophobicContact CG2-CD1 4.38Å; I1080-F1131 HydrophobicContact CG2-CG 4.26Å |
| 1081 | T | 74.6 | Confident | 75.8 | Confident | 37 Ų | 37 | 65 Ų | 65 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 148.2 | -171.9 | 62.7 | 0 | 0 | 0 | 0 | 114 | P1068 R1069 E1079 T1116 T1117 | P1068-T1081 CarbonylContact C-O 3.53Å; P1068-T1081 WeakPolarHBondContact CA-O 3.42Å; P1068-T1081 VanDerWaalsContact CB-O 3.28Å; P1068-T1081 WeakPolarHBondContact CB-O 3.45Å; R1069-T1081 PolarHBondContact N-O 3.44Å; R1069-T1081 PolarHBondContact O-N 2.65Å; E1079-T1081 HydrophobicContact CG-CG2 4.09Å; T1081-T1116 CarbonylContact C-O 3.52Å; T1081-T1116 WeakPolarHBondContact CA-O 3.2Å; T1081-T1117 HydrophobicContact CG2-CG2 3.69Å |
| 1082 | W | 86.3 | Confident | 75.8 | Confident | 26 Ų | 26 | 63.8 Ų | 63.8 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | trans | -146.8 | -179.5 | -177.8 | 60 | 89.8 | 0 | 0 | 0 | 115.7 | P1068 I1080 Y1095 L1097 Y1111 E1115 T1116 F1118 V1133 | P1068-W1082 HydrophobicContact CB-CB 4.36Å; I1080-W1082 HydrophobicContact CG2-CZ3 4.48Å; W1082-Y1095 AromaticContact CD1-CD1 3.9Å; W1082-Y1095 AromaticContact NE1-CD1 3.6Å; W1082-Y1095 AromaticContact NE1-CD2 3.72Å; W1082-Y1095 AromaticContact NE1-CG 3.27Å; W1082-Y1095 VanDerWaalsContact NE1-CG 3.27Å; W1082-L1097 HydrophobicContact CE3-CD1 3.97Å; W1082-L1097 HydrophobicContact CH2-CB 4.02Å; W1082-L1097 HydrophobicContact CH2-CD1 4.42Å; W1082-L1097 HydrophobicContact CH2-CD2 4.13Å; W1082-L1097 HydrophobicContact CH2-CG 4.42Å; W1082-L1097 HydrophobicContact CZ3-CB 4.25Å; W1082-L1097 HydrophobicContact CZ3-CD1 3.82Å; W1082-L1097 HydrophobicContact CZ3-CD2 3.76Å; W1082-L1097 HydrophobicContact CZ3-CG 4.15Å; W1082-Y1111 AromaticContact CH2-CD1 3.91Å; W1082-Y1111 HydrophobicContact CH2-CD1 3.91Å; W1082-Y1111 HydrophobicContact CH2-CE1 4.34Å; W1082-Y1111 HydrophobicContact CH2-CG 4.47Å; W1082-Y1111 AromaticContact CZ2-CD1 3.88Å; W1082-Y1111 HydrophobicContact CZ2-CD1 3.88Å; W1082-Y1111 HydrophobicContact CZ2-CE1 4.03Å; W1082-E1115 VanDerWaalsContact CZ2-O 3.25Å; W1082-E1115 WeakPolarHBondContact CZ2-O 3.43Å; W1082-T1116 PolarHBondContact N-O 3Å; W1082-T1116 WeakPolarHBondContact O-CB 3.33Å; W1082-F1118 HydrophobicContact CH2-CB 4.11Å; W1082-F1118 HydrophobicContact CZ3-CB 4.16Å; W1082-V1133 HydrophobicContact CB-CG1 3.94Å; W1082-V1133 HydrophobicContact CD2-CB 4.47Å; W1082-V1133 HydrophobicContact CD2-CG1 4.5Å; W1082-V1133 HydrophobicContact CD2-CG2 4.08Å; W1082-V1133 HydrophobicContact CG-CB 4.43Å; W1082-V1133 HydrophobicContact CG-CG1 4.01Å; W1082-V1133 HydrophobicContact CG-CG2 4.08Å | ||
| 1083 | E | 83.4 | Confident | 76.1 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 40% | 0.397 | 35% | 0.345 | S | S | . | . | trans | -93.7 | 143.2 | -169.6 | -173.1 | 170.7 | -149.6 | 0 | 0 | 113.1 | K1066 | K1066-E1083 WeakPolarHBondContact CG-OE2 3.36Å; K1066-E1083 IonicContact NZ-OE1 2.77Å; K1066-E1083 PolarHBondContact NZ-OE1 3.11Å; K1066-E1083 IonicContact NZ-OE2 3.26Å; K1066-E1083 PolarHBondContact NZ-OE2 3.27Å | ||
| 1084 | V | 78.9 | Confident | 76.3 | Confident | 101 Ų | 101 | 57.7 Ų | 57.7 | 61% | 0.612 | 34% | 0.337 | S | S | * | . | trans | -89.5 | 139.6 | -177.5 | 177.2 | 0 | 0 | 0 | 0 | 112 | Y1095 T1116 | V1084-Y1095 WeakPolarHBondContact CA-OH 3.23Å; V1084-T1116 HydrophobicContact CG2-CG2 3.63Å | ||
| 1085 | V | 78.4 | Confident | 77.5 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 16% | 0.158 | 29% | 0.293 | C | S | . | . | trans | -118.2 | 133.6 | 173.7 | 179 | 0 | 0 | 0 | 0 | 110.8 | I1065 Y1095 V1135 | I1065-V1085 HydrophobicContact CG2-CG2 3.45Å; I1065-V1085 VanDerWaalsContact CG2-CG2 3.45Å; V1085-Y1095 PolarHBondContact N-OH 3.05Å; V1085-V1135 HydrophobicContact CB-CG1 4.23Å; V1085-V1135 HydrophobicContact CG1-CG1 4.35Å; V1085-V1135 HydrophobicContact CG2-CG1 4.39Å; V1085-V1135 HydrophobicContact CG2-CG2 4.06Å | ||
| 1086 | P | 77.5 | Confident | 78.5 | Confident | 98 Ų | 98 | 46.6 Ų | 46.6 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | trans | -79.4 | 159.1 | -177.6 | 31.6 | -36.3 | 0 | 0 | 0 | 114.5 | V1093 | P1086-V1093 WeakPolarHBondContact O-CG2 3.35Š| ||
| 1087 | P | 75.9 | Confident | 79 | Confident | 86 Ų | 86 | 43 Ų | 43 | 56% | 0.558 | 25% | 0.253 | S | S | * | . | trans | -56 | 142.2 | 179.8 | -28 | 36.6 | 0 | 0 | 0 | 115.9 | D1091 | P1087-D1091 WeakPolarHBondContact CA-O 3.24Å; P1087-D1091 WeakPolarHBondContact CB-O 3.22Å | ||
| 1088 | M | 76.7 | Confident | 79.8 | Confident | 48 Ų | 48 | 43.6 Ų | 43.6 | 24% | 0.236 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -97.9 | 103.1 | -178.4 | -67.7 | -173.7 | 74.6 | 0 | 0 | 111.1 | P1062 G1090 D1091 R1137 | P1062-M1088 HydrophobicContact CB-SD 3.71Å; P1062-M1088 HydrophobicContact CG-SD 4.02Å; M1088-G1090 PolarHBondContact O-N 3.26Å; M1088-D1091 PolarHBondContact N-O 3.38Å; M1088-D1091 WeakPolarHBondContact O-CB 3.46Å; M1088-D1091 PolarHBondContact O-N 3.21Å; M1088-D1091 VanDerWaalsContact O-N 3.08Å; M1088-R1137 HydrophobicContact CB-CG 4.38Å; M1088-R1137 PolarHBondContact O-NH2 3.16Å; M1088-R1137 VanDerWaalsContact O-NH2 3.15Å |
| 1089 | K | 72.8 | Confident | 79.8 | Confident | 159 Ų | 159 | 44.1 Ų | 44.1 | 69% | 0.691 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 39.6 | -174.3 | -78.5 | -172.4 | 170.6 | 176.4 | 0 | 113.3 | E1030 D1091 | E1030-K1089 WeakPolarHBondContact OE1-CD 3.42Å; E1030-K1089 WeakPolarHBondContact OE1-CE 3.38Å; E1030-K1089 IonicContact OE1-NZ 2.63Å; E1030-K1089 PolarHBondContact OE1-NZ 2.85Å; K1089-D1091 VanDerWaalsContact C-N 3.3Å; K1089-D1091 PolarHBondContact O-N 3.1Å |
| 1090 | G | 69.3 | Low | 80 | Confident | 53 Ų | 53 | 42.5 Ų | 42.5 | 55% | 0.546 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -15.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | M1088 P1092 L1140 | M1088-G1090 PolarHBondContact O-N 3.26Å; G1090-P1092 WeakPolarHBondContact O-CD 3.44Å; G1090-L1140 WeakPolarHBondContact O-CD1 3.42Å |
| 1091 | D | 80.4 | Confident | 79.6 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -69.7 | 121.7 | 170.8 | -66.9 | -42.9 | 0 | 0 | 0 | 109.5 | K1059 P1087 M1088 K1089 R1137 R1138 C1139 L1140 | K1059-D1091 IonicContact NZ-OD1 2.73Å; K1059-D1091 PolarHBondContact NZ-OD1 3.45Å; K1059-D1091 IonicContact NZ-OD2 2.72Å; K1059-D1091 PolarHBondContact NZ-OD2 3.13Å; P1087-D1091 WeakPolarHBondContact CA-O 3.24Å; P1087-D1091 WeakPolarHBondContact CB-O 3.22Å; M1088-D1091 PolarHBondContact N-O 3.38Å; M1088-D1091 WeakPolarHBondContact O-CB 3.46Å; M1088-D1091 PolarHBondContact O-N 3.21Å; M1088-D1091 VanDerWaalsContact O-N 3.08Å; K1089-D1091 VanDerWaalsContact C-N 3.3Å; K1089-D1091 PolarHBondContact O-N 3.1Å; D1091-R1137 HydrophobicContact CB-CG 3.75Å; D1091-R1137 IonicContact OD2-CZ 3.65Å; D1091-R1137 VanDerWaalsContact OD2-CZ 3.22Å; D1091-R1137 IonicContact OD2-NE 2.68Å; D1091-R1137 PolarHBondContact OD2-NE 2.91Å; D1091-R1137 IonicContact OD2-NH2 2.63Å; D1091-R1137 PolarHBondContact OD2-NH2 2.85Å; D1091-R1138 WeakPolarHBondContact CB-O 3.45Å; D1091-C1139 WeakPolarHBondContact OD1-CA 3.47Å; D1091-L1140 PolarHBondContact OD1-N 2.95Å |
| 1092 | P | 75.9 | Confident | 79.4 | Confident | 50 Ų | 50 | 44.2 Ų | 44.2 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | trans | -72.7 | 166.3 | -177 | 30.6 | -35.9 | 0 | 0 | 0 | 112.4 | G1090 R1138 L1140 | G1090-P1092 WeakPolarHBondContact O-CD 3.44Å; P1092-R1138 WeakPolarHBondContact CD-O 3.21Å; P1092-R1138 HydrophobicContact CG-CB 4.5Å; P1092-R1138 PolarHBondContact O-N 3.14Å; P1092-L1140 HydrophobicContact CG-CD2 4.01Å | ||
| 1093 | V | 82.3 | Confident | 78.5 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 14% | 0.139 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141.8 | -171.8 | -138.3 | 0 | 0 | 0 | 0 | 110.6 | P1086 V1135 C1136 | P1086-V1093 WeakPolarHBondContact O-CG2 3.35Å; V1093-V1135 HydrophobicContact CB-CG1 4.49Å; V1093-V1135 HydrophobicContact CG1-CG1 3.27Å; V1093-C1136 VanDerWaalsContact CA-O 3.31Å; V1093-C1136 WeakPolarHBondContact CA-O 3.38Å; V1093-C1136 VanDerWaalsContact CG1-O 3.26Å; V1093-C1136 WeakPolarHBondContact CG1-O 3.35Å |
| 1094 | G | 78.6 | Confident | 78.1 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 171.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1136 | G1094-C1136 PolarHBondContact N-O 3.41Å; G1094-C1136 PolarHBondContact O-N 2.89Å |
| 1095 | Y | 87.2 | Confident | 77.7 | Confident | 8 Ų | 8 | 56 Ų | 56 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 157.2 | -169.4 | -49 | -80.4 | 0 | 0 | 0 | 112.8 | I1065 W1082 V1084 V1085 K1112 G1113 D1114 T1116 C1134 V1135 | I1065-Y1095 HydrophobicContact CD1-CD1 4.36Å; W1082-Y1095 AromaticContact CD1-CD1 3.9Å; W1082-Y1095 AromaticContact NE1-CD1 3.6Å; W1082-Y1095 AromaticContact NE1-CD2 3.72Å; W1082-Y1095 AromaticContact NE1-CG 3.27Å; W1082-Y1095 VanDerWaalsContact NE1-CG 3.27Å; V1084-Y1095 WeakPolarHBondContact CA-OH 3.23Å; V1085-Y1095 PolarHBondContact N-OH 3.05Å; Y1095-K1112 WeakPolarHBondContact O-CA 3.33Å; Y1095-G1113 PolarHBondContact N-O 3.13Å; Y1095-G1113 PolarHBondContact O-N 3.28Å; Y1095-G1113 VanDerWaalsContact O-N 3.12Å; Y1095-D1114 WeakPolarHBondContact CE2-O 3.5Å; Y1095-T1116 HydrophobicContact CD2-CG2 4.06Å; Y1095-T1116 HydrophobicContact CE2-CG2 3.73Å; Y1095-C1134 VanDerWaalsContact CA-O 3.29Å; Y1095-C1134 WeakPolarHBondContact CA-O 3.41Å; Y1095-V1135 HydrophobicContact CD1-CG2 4.01Å; Y1095-V1135 HydrophobicContact CE1-CG2 3.94Å |
| 1096 | V | 83.8 | Confident | 77.5 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 108.8 | 174.7 | -176 | 0 | 0 | 0 | 0 | 109.5 | Q1098 Q1109 Y1111 K1112 V1133 C1134 F1150 | V1096-Q1098 HydrophobicContact CG1-CG 4.45Å; V1096-Q1109 HydrophobicContact CG1-CG 3.74Å; V1096-Q1109 VanDerWaalsContact CG1-OE1 3.24Å; V1096-Y1111 CarbonylContact C-O 3.59Å; V1096-Y1111 WeakPolarHBondContact CA-O 3.41Å; V1096-K1112 HydrophobicContact CG2-CB 4.31Å; V1096-K1112 HydrophobicContact CG2-CD 3.92Å; V1096-K1112 HydrophobicContact CG2-CG 3.95Å; V1096-V1133 VanDerWaalsContact O-CA 3.24Å; V1096-V1133 WeakPolarHBondContact O-CA 3.33Å; V1096-C1134 PolarHBondContact N-O 2.85Å; V1096-C1134 PolarHBondContact O-N 2.95Å; V1096-C1134 VanDerWaalsContact O-N 3.13Å; V1096-F1150 HydrophobicContact CB-CE1 4.49Å; V1096-F1150 HydrophobicContact CG1-CE1 4.47Å; V1096-F1150 HydrophobicContact CG1-CZ 4.44Å |
| 1097 | L | 83.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 136.5 | 174.9 | -170.9 | 77.1 | 0 | 0 | 0 | 110.4 | P1068 I1080 W1082 V1110 Y1111 F1118 F1131 R1132 V1133 | P1068-L1097 HydrophobicContact CG-CD1 4.44Å; I1080-L1097 HydrophobicContact CB-CD2 4.29Å; I1080-L1097 HydrophobicContact CG2-CD1 4.04Å; I1080-L1097 HydrophobicContact CG2-CD2 4.05Å; W1082-L1097 HydrophobicContact CE3-CD1 3.97Å; W1082-L1097 HydrophobicContact CH2-CB 4.02Å; W1082-L1097 HydrophobicContact CH2-CD1 4.42Å; W1082-L1097 HydrophobicContact CH2-CD2 4.13Å; W1082-L1097 HydrophobicContact CH2-CG 4.42Å; W1082-L1097 HydrophobicContact CZ3-CB 4.25Å; W1082-L1097 HydrophobicContact CZ3-CD1 3.82Å; W1082-L1097 HydrophobicContact CZ3-CD2 3.76Å; W1082-L1097 HydrophobicContact CZ3-CG 4.15Å; L1097-V1110 HydrophobicContact CB-CG2 4.34Å; L1097-V1110 HydrophobicContact CD2-CG2 3.85Å; L1097-V1110 HydrophobicContact CG-CG2 4.04Å; L1097-V1110 PolarHBondContact O-N 2.97Å; L1097-Y1111 PolarHBondContact N-O 3.17Å; L1097-Y1111 PolarHBondContact O-N 2.88Å; L1097-F1118 HydrophobicContact CD2-CB 4.36Å; L1097-F1118 HydrophobicContact CD2-CD1 4.15Å; L1097-F1131 HydrophobicContact CD1-CB 4.47Å; L1097-F1131 HydrophobicContact CD2-CD1 4.43Å; L1097-R1132 WeakPolarHBondContact CA-O 3.5Å; L1097-R1132 WeakPolarHBondContact CD1-O 3.25Å; L1097-V1133 HydrophobicContact CD1-CB 4.09Å |
| 1098 | Q | 85.8 | Confident | 77.8 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.9 | 174.6 | -50 | -176.5 | -43.7 | 0 | 0 | 111.3 | V1096 Y1107 K1108 Q1109 F1131 R1132 F1150 | V1096-Q1098 HydrophobicContact CG1-CG 4.45Å; Q1098-Y1107 HydrophobicContact CB-CD1 4.18Å; Q1098-Y1107 HydrophobicContact CB-CG 4.48Å; Q1098-K1108 CarbonylContact C-O 3.53Å; Q1098-K1108 WeakPolarHBondContact CA-O 3.2Å; Q1098-K1108 WeakPolarHBondContact CB-O 3.25Å; Q1098-Q1109 HydrophobicContact CG-CB 4.4Å; Q1098-F1131 WeakPolarHBondContact O-CA 3.37Å; Q1098-R1132 HydrophobicContact CB-CG 4.33Å; Q1098-R1132 PolarHBondContact N-O 2.97Å; Q1098-R1132 PolarHBondContact O-N 3.01Å; Q1098-R1132 VanDerWaalsContact OE1-CZ 3.28Å; Q1098-F1150 HydrophobicContact CG-CE1 3.95Å; Q1098-F1150 HydrophobicContact CG-CZ 4.44Å |
| 1099 | V | 80.9 | Confident | 78 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 150.1 | 173.7 | 78.9 | 0 | 0 | 0 | 0 | 111.9 | V1101 Y1107 K1108 V1110 Y1129 R1130 F1131 | V1099-V1101 HydrophobicContact CG1-CG2 4.18Å; V1099-Y1107 CarbonylContact O-C 3.56Å; V1099-Y1107 WeakPolarHBondContact O-CA 3.42Å; V1099-K1108 PolarHBondContact N-O 3.37Å; V1099-K1108 PolarHBondContact O-N 2.99Å; V1099-V1110 HydrophobicContact CB-CG1 4.09Å; V1099-V1110 HydrophobicContact CB-CG2 4.21Å; V1099-V1110 HydrophobicContact CG1-CG1 3.45Å; V1099-V1110 VanDerWaalsContact CG1-CG1 3.45Å; V1099-V1110 HydrophobicContact CG1-CG2 4.47Å; V1099-Y1129 HydrophobicContact CG2-CD1 4.31Å; V1099-R1130 CarbonylContact C-O 3.47Å; V1099-R1130 WeakPolarHBondContact CA-O 3.2Å; V1099-F1131 HydrophobicContact CB-CD1 3.91Å; V1099-F1131 HydrophobicContact CB-CE1 3.8Å; V1099-F1131 HydrophobicContact CG2-CD1 3.62Å; V1099-F1131 HydrophobicContact CG2-CE1 3.25Å; V1099-F1131 HydrophobicContact CG2-CE2 4.27Å; V1099-F1131 HydrophobicContact CG2-CG 4.28Å; V1099-F1131 HydrophobicContact CG2-CZ 3.63Å |
| 1100 | L | 81.6 | Confident | 78.1 | Confident | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.12 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134 | 165.6 | -160.9 | 71.4 | 0 | 0 | 0 | 108.2 | E1104 E1106 Y1107 Y1129 R1130 | L1100-E1104 HydrophobicContact CD1-CB 4.43Å; L1100-E1104 VanDerWaalsContact CD1-O 3.23Å; L1100-E1104 WeakPolarHBondContact CD1-O 3.19Å; L1100-E1104 WeakPolarHBondContact CG-O 3.35Å; L1100-E1106 VanDerWaalsContact CD1-O 3.27Å; L1100-E1106 WeakPolarHBondContact CD1-O 3.41Å; L1100-Y1107 HydrophobicContact CB-CD1 4.04Å; L1100-Y1107 HydrophobicContact CB-CE1 3.83Å; L1100-Y1107 HydrophobicContact CB-CE2 4.48Å; L1100-Y1107 HydrophobicContact CB-CG 4.45Å; L1100-Y1107 HydrophobicContact CD1-CD2 4.21Å; L1100-Y1107 HydrophobicContact CD1-CE2 4.45Å; L1100-Y1107 HydrophobicContact CD1-CG 4.36Å; L1100-Y1107 HydrophobicContact CD2-CE2 4.17Å; L1100-Y1129 CarbonylContact O-C 3.52Å; L1100-Y1129 WeakPolarHBondContact O-CA 3.38Å; L1100-R1130 HydrophobicContact CB-CB 4.08Å; L1100-R1130 PolarHBondContact N-O 2.59Å; L1100-R1130 PolarHBondContact O-N 3.31Å |
| 1101 | V | 77.9 | Confident | 78.7 | Confident | 43 Ų | 43 | 56.7 Ų | 56.7 | 26% | 0.261 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.5 | -177.6 | -173.7 | 0 | 0 | 0 | 0 | 111 | V1099 R1103 E1104 T1127 Y1129 | V1099-V1101 HydrophobicContact CG1-CG2 4.18Å; V1101-R1103 PolarHBondContact O-N 2.87Å; V1101-R1103 VanDerWaalsContact O-N 3.11Å; V1101-E1104 WeakPolarHBondContact O-CB 3.29Å; V1101-E1104 VanDerWaalsContact O-CG 3.3Å; V1101-E1104 WeakPolarHBondContact O-CG 3.28Å; V1101-E1104 PolarHBondContact O-N 2.81Å; V1101-T1127 HydrophobicContact CG1-CG2 3.84Å; V1101-Y1129 HydrophobicContact CB-CD1 4.38Å; V1101-Y1129 HydrophobicContact CB-CE1 4.26Å; V1101-Y1129 HydrophobicContact CG1-CD1 4.08Å; V1101-Y1129 HydrophobicContact CG1-CE1 3.58Å; V1101-Y1129 HydrophobicContact CG2-CD1 3.88Å; V1101-Y1129 HydrophobicContact CG2-CE1 3.83Å |
| 1102 | G | 70.4 | Confident | 78.7 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | -110.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1128 | G1102-D1128 WeakPolarHBondContact CA-O 3.29Å; G1102-D1128 PolarHBondContact N-O 2.92Å |
| 1103 | R | 66.8 | Low | 78.8 | Confident | 259 Ų | 259 | 60 Ų | 60 | 98% | 0.977 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | 23.2 | 175.3 | -62.8 | -171.6 | -178.2 | -171.9 | 2 | 112.7 | V1101 | V1101-R1103 PolarHBondContact O-N 2.87Å; V1101-R1103 VanDerWaalsContact O-N 3.11Å |
| 1104 | E | 74.6 | Confident | 78.7 | Confident | 83 Ų | 83 | 65 Ų | 65 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | trans | -60.3 | 149.9 | 169.2 | -69.1 | -171.3 | 145 | 0 | 0 | 110.9 | L1100 V1101 K1108 | L1100-E1104 HydrophobicContact CD1-CB 4.43Å; L1100-E1104 VanDerWaalsContact CD1-O 3.23Å; L1100-E1104 WeakPolarHBondContact CD1-O 3.19Å; L1100-E1104 WeakPolarHBondContact CG-O 3.35Å; V1101-E1104 WeakPolarHBondContact O-CB 3.29Å; V1101-E1104 VanDerWaalsContact O-CG 3.3Å; V1101-E1104 WeakPolarHBondContact O-CG 3.28Å; V1101-E1104 PolarHBondContact O-N 2.81Å; E1104-K1108 IonicContact OE1-NZ 2.83Å; E1104-K1108 PolarHBondContact OE1-NZ 3.25Å; E1104-K1108 WeakPolarHBondContact OE2-CE 3.42Å; E1104-K1108 IonicContact OE2-NZ 3.21Å; E1104-K1108 PolarHBondContact OE2-NZ 2.89Å | ||
| 1105 | S | 70.8 | Confident | 78.9 | Confident | 117 Ų | 117 | 69.7 Ų | 69.7 | 82% | 0.818 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -94.9 | -15.3 | -175.3 | 52 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1106 | E | 74.9 | Confident | 78.6 | Confident | 147 Ų | 147 | 70.8 Ų | 70.8 | 69% | 0.687 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -120.4 | 130.3 | -174.4 | -65.8 | -164.5 | 145.3 | 0 | 0 | 113.1 | L1100 K1108 | L1100-E1106 VanDerWaalsContact CD1-O 3.27Å; L1100-E1106 WeakPolarHBondContact CD1-O 3.41Å; E1106-K1108 PolarHBondContact O-N 3.42Å; E1106-K1108 VanDerWaalsContact O-N 3.15Å |
| 1107 | Y | 83.1 | Confident | 78.4 | Confident | 48 Ų | 48 | 73.8 Ų | 73.8 | 19% | 0.188 | 37% | 0.374 | C | S | . | . | trans | -71.5 | 102.5 | 174.3 | -84.9 | -87.6 | 0 | 0 | 0 | 110.8 | Q1098 V1099 L1100 R1130 R1132 S1153 | Q1098-Y1107 HydrophobicContact CB-CD1 4.18Å; Q1098-Y1107 HydrophobicContact CB-CG 4.48Å; V1099-Y1107 CarbonylContact O-C 3.56Å; V1099-Y1107 WeakPolarHBondContact O-CA 3.42Å; L1100-Y1107 HydrophobicContact CB-CD1 4.04Å; L1100-Y1107 HydrophobicContact CB-CE1 3.83Å; L1100-Y1107 HydrophobicContact CB-CE2 4.48Å; L1100-Y1107 HydrophobicContact CB-CG 4.45Å; L1100-Y1107 HydrophobicContact CD1-CD2 4.21Å; L1100-Y1107 HydrophobicContact CD1-CE2 4.45Å; L1100-Y1107 HydrophobicContact CD1-CG 4.36Å; L1100-Y1107 HydrophobicContact CD2-CE2 4.17Å; Y1107-R1130 HydrophobicContact CE1-CB 4.3Å; Y1107-R1130 WeakPolarHBondContact CE1-O 3.11Å; Y1107-R1132 HydrophobicContact CD1-CG 3.85Å; Y1107-R1132 HydrophobicContact CE1-CG 3.97Å; Y1107-R1132 HydrophobicContact CG-CG 4.41Å; Y1107-S1153 WeakPolarHBondContact OH-CB 3.25Å; Y1107-S1153 PolarHBondContact OH-OG 2.54Å | ||
| 1108 | K | 76.9 | Confident | 78.2 | Confident | 105 Ų | 105 | 76.4 Ų | 76.4 | 46% | 0.457 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 131.1 | 177.5 | -67.9 | 169.1 | -177.1 | 165.6 | 0 | 110.2 | Q1098 V1099 E1104 E1106 V1110 | Q1098-K1108 CarbonylContact C-O 3.53Å; Q1098-K1108 WeakPolarHBondContact CA-O 3.2Å; Q1098-K1108 WeakPolarHBondContact CB-O 3.25Å; V1099-K1108 PolarHBondContact N-O 3.37Å; V1099-K1108 PolarHBondContact O-N 2.99Å; E1104-K1108 IonicContact OE1-NZ 2.83Å; E1104-K1108 PolarHBondContact OE1-NZ 3.25Å; E1104-K1108 WeakPolarHBondContact OE2-CE 3.42Å; E1104-K1108 IonicContact OE2-NZ 3.21Å; E1104-K1108 PolarHBondContact OE2-NZ 2.89Å; E1106-K1108 PolarHBondContact O-N 3.42Å; E1106-K1108 VanDerWaalsContact O-N 3.15Å; K1108-V1110 PolarHBondContact O-N 2.75Å |
| 1109 | Q | 80.4 | Confident | 77.9 | Confident | 109 Ų | 109 | 80.7 Ų | 80.7 | 51% | 0.509 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 126.4 | 173.8 | -173 | -174.3 | -72.8 | 0 | 0 | 110.3 | V1096 Q1098 | V1096-Q1109 HydrophobicContact CG1-CG 3.74Å; V1096-Q1109 VanDerWaalsContact CG1-OE1 3.24Å; Q1098-Q1109 HydrophobicContact CG-CB 4.4Å |
| 1110 | V | 73.8 | Confident | 77.9 | Confident | 50 Ų | 50 | 81.8 Ų | 81.8 | 30% | 0.303 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -22.3 | 176 | -76.5 | 0 | 0 | 0 | 0 | 112.9 | L1097 V1099 K1108 F1118 I1120 | L1097-V1110 HydrophobicContact CB-CG2 4.34Å; L1097-V1110 HydrophobicContact CD2-CG2 3.85Å; L1097-V1110 HydrophobicContact CG-CG2 4.04Å; L1097-V1110 PolarHBondContact O-N 2.97Å; V1099-V1110 HydrophobicContact CB-CG1 4.09Å; V1099-V1110 HydrophobicContact CB-CG2 4.21Å; V1099-V1110 HydrophobicContact CG1-CG1 3.45Å; V1099-V1110 VanDerWaalsContact CG1-CG1 3.45Å; V1099-V1110 HydrophobicContact CG1-CG2 4.47Å; K1108-V1110 PolarHBondContact O-N 2.75Å; V1110-F1118 HydrophobicContact CB-CE1 4.23Å; V1110-I1120 HydrophobicContact CB-CD1 4.46Å; V1110-I1120 HydrophobicContact CG1-CD1 4.45Å; V1110-I1120 HydrophobicContact CG2-CD1 4.46Å |
| 1111 | Y | 82.8 | Confident | 77.4 | Confident | 26 Ų | 26 | 85.3 Ų | 85.3 | 10% | 0.102 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 141.4 | 174.6 | -179.7 | -93.4 | 0 | 0 | 0 | 110.8 | W1082 V1096 L1097 G1113 E1115 F1118 | W1082-Y1111 AromaticContact CH2-CD1 3.91Å; W1082-Y1111 HydrophobicContact CH2-CD1 3.91Å; W1082-Y1111 HydrophobicContact CH2-CE1 4.34Å; W1082-Y1111 HydrophobicContact CH2-CG 4.47Å; W1082-Y1111 AromaticContact CZ2-CD1 3.88Å; W1082-Y1111 HydrophobicContact CZ2-CD1 3.88Å; W1082-Y1111 HydrophobicContact CZ2-CE1 4.03Å; V1096-Y1111 CarbonylContact C-O 3.59Å; V1096-Y1111 WeakPolarHBondContact CA-O 3.41Å; L1097-Y1111 PolarHBondContact N-O 3.17Å; L1097-Y1111 PolarHBondContact O-N 2.88Å; Y1111-G1113 WeakPolarHBondContact OH-CA 3.31Å; Y1111-E1115 WeakPolarHBondContact CE2-OE2 3.31Å; Y1111-E1115 WeakPolarHBondContact OH-CB 3.47Å; Y1111-E1115 VanDerWaalsContact OH-CG 3.31Å; Y1111-E1115 WeakPolarHBondContact OH-CG 3.34Å; Y1111-E1115 PolarHBondContact OH-N 2.94Å; Y1111-E1115 VanDerWaalsContact OH-N 3.1Å; Y1111-E1115 PolarHBondContact OH-OE2 3.35Å; Y1111-F1118 AromaticContact CD2-CD2 3.47Å; Y1111-F1118 HydrophobicContact CD2-CD2 3.47Å; Y1111-F1118 VanDerWaalsContact CD2-CD2 3.47Å; Y1111-F1118 AromaticContact CD2-CE2 3.67Å; Y1111-F1118 HydrophobicContact CD2-CE2 3.67Å; Y1111-F1118 HydrophobicContact CD2-CG 4.26Å; Y1111-F1118 HydrophobicContact CE2-CD2 4.17Å; Y1111-F1118 HydrophobicContact CG-CD2 4.07Å; Y1111-F1118 HydrophobicContact CG-CE2 4.4Å; Y1111-F1118 HydrophobicContact CG-CG 4.43Å |
| 1112 | K | 79.8 | Confident | 77.2 | Confident | 104 Ų | 104 | 86.1 Ų | 86.1 | 45% | 0.452 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 123.6 | 161.6 | 172.9 | 169 | -175.3 | 177.3 | 0 | 107.9 | Y1095 V1096 E1145 | Y1095-K1112 WeakPolarHBondContact O-CA 3.33Å; V1096-K1112 HydrophobicContact CG2-CB 4.31Å; V1096-K1112 HydrophobicContact CG2-CD 3.92Å; V1096-K1112 HydrophobicContact CG2-CG 3.95Å; K1112-E1145 IonicContact NZ-OE2 2.68Å; K1112-E1145 PolarHBondContact NZ-OE2 3.31Å |
| 1113 | G | 79 | Confident | 77.4 | Confident | 22 Ų | 22 | 84.9 Ų | 84.9 | 23% | 0.227 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.5 | -170.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y1095 Y1111 | Y1095-G1113 PolarHBondContact N-O 3.13Å; Y1095-G1113 PolarHBondContact O-N 3.28Å; Y1095-G1113 VanDerWaalsContact O-N 3.12Å; Y1111-G1113 WeakPolarHBondContact OH-CA 3.31Å |
| 1114 | D | 80.8 | Confident | 77.5 | Confident | 128 Ų | 128 | 78.6 Ų | 78.6 | 68% | 0.684 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -104.4 | -9 | -175.9 | 49.3 | -16.6 | 0 | 0 | 0 | 114.2 | Y1095 | Y1095-D1114 WeakPolarHBondContact CE2-O 3.5Š|
| 1115 | E | 82.9 | Confident | 77.5 | Confident | 113 Ų | 113 | 76.7 Ų | 76.7 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | trans | -73.5 | 161.1 | 171.8 | -49.4 | 161.1 | 122 | 0 | 0 | 111.3 | W1082 Y1111 | W1082-E1115 VanDerWaalsContact CZ2-O 3.25Å; W1082-E1115 WeakPolarHBondContact CZ2-O 3.43Å; Y1111-E1115 WeakPolarHBondContact CE2-OE2 3.31Å; Y1111-E1115 WeakPolarHBondContact OH-CB 3.47Å; Y1111-E1115 VanDerWaalsContact OH-CG 3.31Å; Y1111-E1115 WeakPolarHBondContact OH-CG 3.34Å; Y1111-E1115 PolarHBondContact OH-N 2.94Å; Y1111-E1115 VanDerWaalsContact OH-N 3.1Å; Y1111-E1115 PolarHBondContact OH-OE2 3.35Å | ||
| 1116 | T | 80.6 | Confident | 77.2 | Confident | 31 Ų | 31 | 76.3 Ų | 76.3 | 19% | 0.19 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -120.4 | 15.3 | -178.5 | 62.1 | 0 | 0 | 0 | 0 | 114.9 | T1081 W1082 V1084 Y1095 | T1081-T1116 CarbonylContact C-O 3.52Å; T1081-T1116 WeakPolarHBondContact CA-O 3.2Å; W1082-T1116 PolarHBondContact N-O 3Å; W1082-T1116 WeakPolarHBondContact O-CB 3.33Å; V1084-T1116 HydrophobicContact CG2-CG2 3.63Å; Y1095-T1116 HydrophobicContact CD2-CG2 4.06Å; Y1095-T1116 HydrophobicContact CE2-CG2 3.73Å |
| 1117 | T | 78.6 | Confident | 77 | Confident | 74 Ų | 74 | 71 Ų | 71 | 45% | 0.454 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 131.2 | -179.3 | 59 | 0 | 0 | 0 | 0 | 110.1 | I1080 T1081 | I1080-T1117 CarbonylContact O-C 3.57Å; I1080-T1117 WeakPolarHBondContact O-CA 3.25Å; T1081-T1117 HydrophobicContact CG2-CG2 3.69Å |
| 1118 | F | 80.9 | Confident | 76.8 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 24% | 0.241 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 133.7 | -176.1 | -170.5 | -110.2 | 0 | 0 | 0 | 111.3 | I1080 W1082 L1097 V1110 Y1111 I1120 | I1080-F1118 WeakPolarHBondContact CD1-O 3.34Å; I1080-F1118 PolarHBondContact N-O 3.41Å; I1080-F1118 PolarHBondContact O-N 2.79Å; W1082-F1118 HydrophobicContact CH2-CB 4.11Å; W1082-F1118 HydrophobicContact CZ3-CB 4.16Å; L1097-F1118 HydrophobicContact CD2-CB 4.36Å; L1097-F1118 HydrophobicContact CD2-CD1 4.15Å; V1110-F1118 HydrophobicContact CB-CE1 4.23Å; Y1111-F1118 AromaticContact CD2-CD2 3.47Å; Y1111-F1118 HydrophobicContact CD2-CD2 3.47Å; Y1111-F1118 VanDerWaalsContact CD2-CD2 3.47Å; Y1111-F1118 AromaticContact CD2-CE2 3.67Å; Y1111-F1118 HydrophobicContact CD2-CE2 3.67Å; Y1111-F1118 HydrophobicContact CD2-CG 4.26Å; Y1111-F1118 HydrophobicContact CE2-CD2 4.17Å; Y1111-F1118 HydrophobicContact CG-CD2 4.07Å; Y1111-F1118 HydrophobicContact CG-CE2 4.4Å; Y1111-F1118 HydrophobicContact CG-CG 4.43Å; F1118-I1120 HydrophobicContact CD1-CD1 4.18Å; F1118-I1120 HydrophobicContact CD1-CG1 3.9Å; F1118-I1120 HydrophobicContact CE1-CD1 3.9Å; F1118-I1120 HydrophobicContact CE1-CG1 3.59Å |
| 1119 | Q | 79.4 | Confident | 76.8 | Confident | 116 Ų | 116 | 66.3 Ų | 66.3 | 54% | 0.542 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 142.4 | 178.6 | -67.7 | -171.8 | 1.5 | 0 | 0 | 111.8 | L1073 C1078 E1079 | L1073-Q1119 HydrophobicContact CD1-CG 4.5Å; C1078-Q1119 WeakPolarHBondContact O-CA 3.43Å; E1079-Q1119 HydrophobicContact CB-CG 3.92Å; E1079-Q1119 HydrophobicContact CG-CG 3.83Å; E1079-Q1119 WeakPolarHBondContact OE1-CG 3.35Å; E1079-Q1119 PolarHBondContact OE1-NE2 2.92Å |
| 1120 | I | 80.2 | Confident | 76.9 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 17% | 0.174 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 134.3 | 175.3 | -69.1 | 176.3 | 0 | 0 | 0 | 109.5 | A1077 C1078 I1080 V1110 F1118 L1123 F1131 | A1077-I1120 CarbonylContact C-O 3.54Å; A1077-I1120 VanDerWaalsContact CA-O 3.23Å; A1077-I1120 WeakPolarHBondContact CA-O 3.31Å; A1077-I1120 WeakPolarHBondContact CB-O 3.38Å; C1078-I1120 PolarHBondContact N-O 2.86Å; C1078-I1120 PolarHBondContact O-N 2.95Å; I1080-I1120 HydrophobicContact CD1-CB 4.45Å; I1080-I1120 HydrophobicContact CD1-CD1 4.04Å; I1080-I1120 HydrophobicContact CD1-CG1 4.18Å; V1110-I1120 HydrophobicContact CB-CD1 4.46Å; V1110-I1120 HydrophobicContact CG1-CD1 4.45Å; V1110-I1120 HydrophobicContact CG2-CD1 4.46Å; F1118-I1120 HydrophobicContact CD1-CD1 4.18Å; F1118-I1120 HydrophobicContact CD1-CG1 3.9Å; F1118-I1120 HydrophobicContact CE1-CD1 3.9Å; F1118-I1120 HydrophobicContact CE1-CG1 3.59Å; I1120-L1123 HydrophobicContact CG2-CD2 3.71Å; I1120-L1123 HydrophobicContact CG2-CG 4.35Å; I1120-F1131 HydrophobicContact CD1-CE1 3.86Å; I1120-F1131 HydrophobicContact CD1-CZ 4.49Å |
| 1121 | S | 71.8 | Confident | 77.2 | Confident | 98 Ų | 98 | 63.9 Ų | 63.9 | 69% | 0.685 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 162.8 | 178.2 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | N1076 | N1076-S1121 CarbonylContact O-C 3.55Å |
| 1122 | G | 72.4 | Confident | 77.3 | Confident | 60 Ų | 60 | 66 Ų | 66 | 62% | 0.619 | 35% | 0.353 | S | S | * | . | trans | 85.2 | 19.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N1076 | N1076-G1122 PolarHBondContact O-N 3.38Š| ||
| 1123 | L | 74.5 | Confident | 77.5 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 143.4 | -179.2 | -60.7 | 172 | 0 | 0 | 0 | 111.9 | N1076 C1078 I1120 Y1129 F1156 L1158 | N1076-L1123 WeakPolarHBondContact CB-O 3.31Å; N1076-L1123 PolarHBondContact ND2-O 3.25Å; N1076-L1123 PolarHBondContact O-N 3.19Å; C1078-L1123 HydrophobicContact CB-CD1 4.01Å; I1120-L1123 HydrophobicContact CG2-CD2 3.71Å; I1120-L1123 HydrophobicContact CG2-CG 4.35Å; L1123-Y1129 HydrophobicContact CB-CE2 4.18Å; L1123-Y1129 HydrophobicContact CD2-CD1 3.98Å; L1123-Y1129 HydrophobicContact CD2-CD2 4.21Å; L1123-Y1129 HydrophobicContact CD2-CE1 3.61Å; L1123-Y1129 HydrophobicContact CD2-CE2 3.86Å; L1123-Y1129 HydrophobicContact CD2-CG 4.26Å; L1123-F1156 HydrophobicContact CD1-CE1 3.92Å; L1123-L1158 HydrophobicContact CD1-CD1 4.27Å |
| 1124 | Q | 68.5 | Low | 77.7 | Confident | 127 Ų | 127 | 60.2 Ų | 60.2 | 59% | 0.593 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -84.9 | 137.8 | 175.9 | -71.2 | -70 | -24 | 0 | 0 | 110.7 | T1127 Y1129 | Q1124-T1127 WeakPolarHBondContact CB-OG1 3.49Å; Q1124-T1127 PolarHBondContact O-N 2.85Å; Q1124-Y1129 PolarHBondContact N-OH 3.12Å |
| 1125 | V | 75.4 | Confident | 77.9 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 26% | 0.261 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 144.5 | 179.2 | -163 | 0 | 0 | 0 | 0 | 109.7 | T1127 L1158 Q1159 R1160 | V1125-T1127 PolarHBondContact O-N 3.34Å; V1125-L1158 HydrophobicContact CG1-CB 4.29Å; V1125-L1158 HydrophobicContact CG2-CD2 4.33Å; V1125-Q1159 VanDerWaalsContact CG1-C 3.46Å; V1125-R1160 HydrophobicContact CG1-CB 3.98Å |
| 1126 | N | 64.9 | Low | 77.8 | Confident | 109 Ų | 109 | 49 Ų | 49 | 58% | 0.583 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 21.2 | -173.2 | -62.2 | -3.6 | 0 | 0 | 0 | 115.4 | L1158 | N1126-L1158 WeakPolarHBondContact CA-O 3.24Å; N1126-L1158 PolarHBondContact N-O 2.78Å; N1126-L1158 PolarHBondContact OD1-O 3.12Å |
| 1127 | T | 71.4 | Confident | 77.8 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | trans | -101.9 | 132 | 171.8 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | V1101 Q1124 V1125 Y1129 M1157 | V1101-T1127 HydrophobicContact CG1-CG2 3.84Å; Q1124-T1127 WeakPolarHBondContact CB-OG1 3.49Å; Q1124-T1127 PolarHBondContact O-N 2.85Å; V1125-T1127 PolarHBondContact O-N 3.34Å; T1127-Y1129 HydrophobicContact CG2-CD2 4.27Å; T1127-Y1129 HydrophobicContact CG2-CE2 3.72Å; T1127-Y1129 VanDerWaalsContact O-CD2 3.27Å; T1127-Y1129 WeakPolarHBondContact O-CD2 3.5Å; T1127-M1157 WeakPolarHBondContact O-CA 3.05Å; T1127-M1157 WeakPolarHBondContact O-CG 3.29Å | ||
| 1128 | D | 78.7 | Confident | 77.8 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 136.8 | 173.1 | -173.7 | 22.4 | 0 | 0 | 0 | 110.1 | G1102 R1130 F1156 M1157 | G1102-D1128 WeakPolarHBondContact CA-O 3.29Å; G1102-D1128 PolarHBondContact N-O 2.92Å; D1128-R1130 IonicContact OD2-CZ 2.9Å; D1128-R1130 IonicContact OD2-NE 2.73Å; D1128-R1130 PolarHBondContact OD2-NE 3.29Å; D1128-R1130 IonicContact OD2-NH2 3.95Å; D1128-R1130 PolarHBondContact OD2-NH2 3.3Å; D1128-F1156 CarbonylContact C-O 3.56Å; D1128-F1156 WeakPolarHBondContact CA-O 3.3Å; D1128-M1157 HydrophobicContact CB-CE 3.88Å |
| 1129 | Y | 76.2 | Confident | 77.4 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 9% | 0.09 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 126.4 | 178.7 | -70.4 | -93.1 | 0 | 0 | 0 | 109.3 | V1099 L1100 V1101 L1123 Q1124 T1127 A1155 F1156 | V1099-Y1129 HydrophobicContact CG2-CD1 4.31Å; L1100-Y1129 CarbonylContact O-C 3.52Å; L1100-Y1129 WeakPolarHBondContact O-CA 3.38Å; V1101-Y1129 HydrophobicContact CB-CD1 4.38Å; V1101-Y1129 HydrophobicContact CB-CE1 4.26Å; V1101-Y1129 HydrophobicContact CG1-CD1 4.08Å; V1101-Y1129 HydrophobicContact CG1-CE1 3.58Å; V1101-Y1129 HydrophobicContact CG2-CD1 3.88Å; V1101-Y1129 HydrophobicContact CG2-CE1 3.83Å; L1123-Y1129 HydrophobicContact CB-CE2 4.18Å; L1123-Y1129 HydrophobicContact CD2-CD1 3.98Å; L1123-Y1129 HydrophobicContact CD2-CD2 4.21Å; L1123-Y1129 HydrophobicContact CD2-CE1 3.61Å; L1123-Y1129 HydrophobicContact CD2-CE2 3.86Å; L1123-Y1129 HydrophobicContact CD2-CG 4.26Å; Q1124-Y1129 PolarHBondContact N-OH 3.12Å; T1127-Y1129 HydrophobicContact CG2-CD2 4.27Å; T1127-Y1129 HydrophobicContact CG2-CE2 3.72Å; T1127-Y1129 VanDerWaalsContact O-CD2 3.27Å; T1127-Y1129 WeakPolarHBondContact O-CD2 3.5Å; Y1129-A1155 CarbonylContact O-C 3.58Å; Y1129-A1155 WeakPolarHBondContact O-CA 3.45Å; Y1129-F1156 PolarHBondContact N-O 3.09Å; Y1129-F1156 PolarHBondContact O-N 3.06Å |
| 1130 | R | 82.6 | Confident | 77 | Confident | 107 Ų | 107 | 47.4 Ų | 47.4 | 40% | 0.404 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.6 | -177.8 | -49.4 | -170.2 | -179.9 | -176.3 | 0.4 | 114.1 | V1099 L1100 Y1107 D1128 V1154 A1155 | V1099-R1130 CarbonylContact C-O 3.47Å; V1099-R1130 WeakPolarHBondContact CA-O 3.2Å; L1100-R1130 HydrophobicContact CB-CB 4.08Å; L1100-R1130 PolarHBondContact N-O 2.59Å; L1100-R1130 PolarHBondContact O-N 3.31Å; Y1107-R1130 HydrophobicContact CE1-CB 4.3Å; Y1107-R1130 WeakPolarHBondContact CE1-O 3.11Å; D1128-R1130 IonicContact OD2-CZ 2.9Å; D1128-R1130 IonicContact OD2-NE 2.73Å; D1128-R1130 PolarHBondContact OD2-NE 3.29Å; D1128-R1130 IonicContact OD2-NH2 3.95Å; D1128-R1130 PolarHBondContact OD2-NH2 3.3Å; R1130-V1154 CarbonylContact C-O 3.52Å; R1130-V1154 WeakPolarHBondContact CA-O 3.33Å; R1130-V1154 WeakPolarHBondContact CB-O 3.33Å; R1130-A1155 HydrophobicContact CG-CB 3.92Å |
| 1131 | F | 80.8 | Confident | 76.3 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138 | -170 | -57.6 | -90 | 0 | 0 | 0 | 113.2 | P1068 V1070 I1080 L1097 Q1098 V1099 I1120 S1153 V1154 F1156 | P1068-F1131 HydrophobicContact CG-CB 4.08Å; P1068-F1131 WeakPolarHBondContact CG-O 3.39Å; V1070-F1131 HydrophobicContact CG1-CE2 4.44Å; V1070-F1131 HydrophobicContact CG2-CD2 3.62Å; V1070-F1131 HydrophobicContact CG2-CE2 4.07Å; V1070-F1131 HydrophobicContact CG2-CG 4.28Å; I1080-F1131 HydrophobicContact CD1-CD1 4.12Å; I1080-F1131 HydrophobicContact CD1-CE1 3.66Å; I1080-F1131 HydrophobicContact CD1-CZ 3.95Å; I1080-F1131 HydrophobicContact CG1-CD1 3.83Å; I1080-F1131 HydrophobicContact CG1-CD2 4.28Å; I1080-F1131 HydrophobicContact CG1-CE1 3.81Å; I1080-F1131 HydrophobicContact CG1-CE2 4.25Å; I1080-F1131 HydrophobicContact CG1-CG 4.06Å; I1080-F1131 HydrophobicContact CG1-CZ 4.01Å; I1080-F1131 HydrophobicContact CG2-CB 4.15Å; I1080-F1131 HydrophobicContact CG2-CD1 4.38Å; I1080-F1131 HydrophobicContact CG2-CG 4.26Å; L1097-F1131 HydrophobicContact CD1-CB 4.47Å; L1097-F1131 HydrophobicContact CD2-CD1 4.43Å; Q1098-F1131 WeakPolarHBondContact O-CA 3.37Å; V1099-F1131 HydrophobicContact CB-CD1 3.91Å; V1099-F1131 HydrophobicContact CB-CE1 3.8Å; V1099-F1131 HydrophobicContact CG2-CD1 3.62Å; V1099-F1131 HydrophobicContact CG2-CE1 3.25Å; V1099-F1131 HydrophobicContact CG2-CE2 4.27Å; V1099-F1131 HydrophobicContact CG2-CG 4.28Å; V1099-F1131 HydrophobicContact CG2-CZ 3.63Å; I1120-F1131 HydrophobicContact CD1-CE1 3.86Å; I1120-F1131 HydrophobicContact CD1-CZ 4.49Å; F1131-S1153 CarbonylContact O-C 3.55Å; F1131-S1153 WeakPolarHBondContact O-CA 3.23Å; F1131-V1154 HydrophobicContact CB-CG1 4.28Å; F1131-V1154 PolarHBondContact N-O 3.01Å; F1131-V1154 PolarHBondContact O-N 2.88Å; F1131-F1156 HydrophobicContact CE2-CB 4.45Å |
| 1132 | R | 85.1 | Confident | 76.1 | Confident | 72 Ų | 72 | 49.8 Ų | 49.8 | 27% | 0.272 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 157.2 | 175 | 70.9 | 178.7 | -170.6 | -178.7 | -0.3 | 112.6 | L1097 Q1098 Y1107 F1150 | L1097-R1132 WeakPolarHBondContact CA-O 3.5Å; L1097-R1132 WeakPolarHBondContact CD1-O 3.25Å; Q1098-R1132 HydrophobicContact CB-CG 4.33Å; Q1098-R1132 PolarHBondContact N-O 2.97Å; Q1098-R1132 PolarHBondContact O-N 3.01Å; Q1098-R1132 VanDerWaalsContact OE1-CZ 3.28Å; Y1107-R1132 HydrophobicContact CD1-CG 3.85Å; Y1107-R1132 HydrophobicContact CE1-CG 3.97Å; Y1107-R1132 HydrophobicContact CG-CG 4.41Å; R1132-F1150 HydrophobicContact CG-CD1 4.19Å |
| 1133 | V | 82.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 147.7 | -174.7 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | I1065 W1082 V1096 L1097 S1151 | I1065-V1133 HydrophobicContact CD1-CG1 3.69Å; I1065-V1133 HydrophobicContact CD1-CG2 4.24Å; I1065-V1133 HydrophobicContact CG1-CG1 4.37Å; W1082-V1133 HydrophobicContact CB-CG1 3.94Å; W1082-V1133 HydrophobicContact CD2-CB 4.47Å; W1082-V1133 HydrophobicContact CD2-CG1 4.5Å; W1082-V1133 HydrophobicContact CD2-CG2 4.08Å; W1082-V1133 HydrophobicContact CG-CB 4.43Å; W1082-V1133 HydrophobicContact CG-CG1 4.01Å; W1082-V1133 HydrophobicContact CG-CG2 4.08Å; V1096-V1133 VanDerWaalsContact O-CA 3.24Å; V1096-V1133 WeakPolarHBondContact O-CA 3.33Å; L1097-V1133 HydrophobicContact CD1-CB 4.09Å; V1133-S1151 PolarHBondContact N-OG 3.17Å; V1133-S1151 VanDerWaalsContact O-CB 3.25Å; V1133-S1151 WeakPolarHBondContact O-CB 3.44Å; V1133-S1151 PolarHBondContact O-N 3.03Å; V1133-S1151 PolarHBondContact O-OG 3.2Å |
| 1134 | C | 82.3 | Confident | 75.5 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 174.7 | 168.3 | 76.1 | 0 | 0 | 0 | 0 | 113.1 | Y1095 V1096 F1150 | Y1095-C1134 VanDerWaalsContact CA-O 3.29Å; Y1095-C1134 WeakPolarHBondContact CA-O 3.41Å; V1096-C1134 PolarHBondContact N-O 2.85Å; V1096-C1134 PolarHBondContact O-N 2.95Å; V1096-C1134 VanDerWaalsContact O-N 3.13Å; C1134-F1150 HydrophobicContact CB-CB 4.24Å; C1134-F1150 HydrophobicContact CB-CD1 3.55Å; C1134-F1150 HydrophobicContact CB-CD2 3.9Å; C1134-F1150 HydrophobicContact CB-CE1 3.74Å; C1134-F1150 HydrophobicContact CB-CE2 4.09Å; C1134-F1150 HydrophobicContact CB-CG 3.63Å; C1134-F1150 HydrophobicContact CB-CZ 4.01Å; C1134-F1150 VanDerWaalsContact SG-CZ 3.51Å |
| 1135 | V | 86 | Confident | 75.8 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.1 | -178.4 | 179.6 | 0 | 0 | 0 | 0 | 110 | I1065 V1085 V1093 Y1095 G1148 | I1065-V1135 HydrophobicContact CB-CG2 4.3Å; I1065-V1135 HydrophobicContact CD1-CG2 3.54Å; I1065-V1135 HydrophobicContact CG1-CG2 3.79Å; I1065-V1135 HydrophobicContact CG2-CG2 3.59Å; V1085-V1135 HydrophobicContact CB-CG1 4.23Å; V1085-V1135 HydrophobicContact CG1-CG1 4.35Å; V1085-V1135 HydrophobicContact CG2-CG1 4.39Å; V1085-V1135 HydrophobicContact CG2-CG2 4.06Å; V1093-V1135 HydrophobicContact CB-CG1 4.49Å; V1093-V1135 HydrophobicContact CG1-CG1 3.27Å; Y1095-V1135 HydrophobicContact CD1-CG2 4.01Å; Y1095-V1135 HydrophobicContact CE1-CG2 3.94Å; V1135-G1148 WeakPolarHBondContact O-CA 3.26Å; V1135-G1148 PolarHBondContact O-N 3.07Å |
| 1136 | C | 79.9 | Confident | 75.9 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.7 | -178.3 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | V1093 G1094 S1147 | V1093-C1136 VanDerWaalsContact CA-O 3.31Å; V1093-C1136 WeakPolarHBondContact CA-O 3.38Å; V1093-C1136 VanDerWaalsContact CG1-O 3.26Å; V1093-C1136 WeakPolarHBondContact CG1-O 3.35Å; G1094-C1136 PolarHBondContact N-O 3.41Å; G1094-C1136 PolarHBondContact O-N 2.89Å; C1136-S1147 PolarHBondContact SG-OG 3.34Å |
| 1137 | R | 82.5 | Confident | 76.3 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 126.7 | 171.3 | 172.9 | -169.9 | -175.7 | 164.8 | 8.2 | 108.9 | S1060 P1062 M1088 D1091 E1145 L1146 | S1060-R1137 PolarHBondContact O-NH1 3.5Å; S1060-R1137 PolarHBondContact OG-NH1 3.46Å; P1062-R1137 HydrophobicContact CB-CB 4.44Å; P1062-R1137 HydrophobicContact CG-CB 3.39Å; M1088-R1137 HydrophobicContact CB-CG 4.38Å; M1088-R1137 PolarHBondContact O-NH2 3.16Å; M1088-R1137 VanDerWaalsContact O-NH2 3.15Å; D1091-R1137 HydrophobicContact CB-CG 3.75Å; D1091-R1137 IonicContact OD2-CZ 3.65Å; D1091-R1137 VanDerWaalsContact OD2-CZ 3.22Å; D1091-R1137 IonicContact OD2-NE 2.68Å; D1091-R1137 PolarHBondContact OD2-NE 2.91Å; D1091-R1137 IonicContact OD2-NH2 2.63Å; D1091-R1137 PolarHBondContact OD2-NH2 2.85Å; R1137-E1145 CarbonylContact O-C 3.52Å; R1137-E1145 WeakPolarHBondContact O-CA 3.46Å; R1137-L1146 PolarHBondContact N-O 3.18Å; R1137-L1146 PolarHBondContact O-N 3.48Å |
| 1138 | R | 78.2 | Confident | 76.7 | Confident | 125 Ų | 125 | 51.1 Ų | 51.1 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 104.8 | 173.6 | -172.3 | 178.8 | -60.9 | 147.3 | 4.8 | 109 | D1091 P1092 L1140 E1145 | D1091-R1138 WeakPolarHBondContact CB-O 3.45Å; P1092-R1138 WeakPolarHBondContact CD-O 3.21Å; P1092-R1138 HydrophobicContact CG-CB 4.5Å; P1092-R1138 PolarHBondContact O-N 3.14Å; R1138-L1140 PolarHBondContact O-N 2.92Å; R1138-E1145 HydrophobicContact CB-CG 4.1Å; R1138-E1145 HydrophobicContact CG-CG 4.01Å; R1138-E1145 IonicContact CZ-OE1 3.17Å; R1138-E1145 IonicContact NE-OE1 3.4Å; R1138-E1145 PolarHBondContact NE-OE1 3.21Å; R1138-E1145 IonicContact NH2-OE1 2.65Å; R1138-E1145 PolarHBondContact NH2-OE1 3.23Å |
| 1139 | C | 71.7 | Confident | 76.8 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | trans | -68.5 | 116.8 | 178.3 | -73.3 | 0 | 0 | 0 | 0 | 110.3 | D1091 D1141 T1142 S1143 Q1144 | D1091-C1139 WeakPolarHBondContact OD1-CA 3.47Å; C1139-D1141 VanDerWaalsContact C-N 3.27Å; C1139-D1141 PolarHBondContact O-N 2.93Å; C1139-T1142 WeakPolarHBondContact CB-OG1 3.12Å; C1139-S1143 WeakPolarHBondContact O-CA 3.34Å; C1139-S1143 PolarHBondContact O-N 3.23Å; C1139-Q1144 PolarHBondContact N-O 3.33Å | ||
| 1140 | L | 71.2 | Confident | 77 | Confident | 114 Ų | 114 | 55.9 Ų | 55.9 | 60% | 0.597 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -25.1 | -172.3 | -67.9 | 174.2 | 0 | 0 | 0 | 113.4 | G1090 D1091 P1092 R1138 | G1090-L1140 WeakPolarHBondContact O-CD1 3.42Å; D1091-L1140 PolarHBondContact OD1-N 2.95Å; P1092-L1140 HydrophobicContact CG-CD2 4.01Å; R1138-L1140 PolarHBondContact O-N 2.92Å |
| 1141 | D | 64.9 | Low | 77.1 | Confident | 99 Ų | 99 | 51.1 Ų | 51.1 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -37.8 | -178 | 51.8 | -10.3 | 0 | 0 | 0 | 113.4 | K1059 C1139 | K1059-D1141 WeakPolarHBondContact CE-OD2 3.27Å; K1059-D1141 IonicContact NZ-OD1 2.88Å; K1059-D1141 PolarHBondContact NZ-OD1 3.03Å; K1059-D1141 IonicContact NZ-OD2 3.69Å; K1059-D1141 PolarHBondContact NZ-OD2 3.1Å; C1139-D1141 VanDerWaalsContact C-N 3.27Å; C1139-D1141 PolarHBondContact O-N 2.93Å |
| 1142 | T | 67.6 | Low | 77.2 | Confident | 83 Ų | 83 | 55.4 Ų | 55.4 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -6.2 | 178.9 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | C1139 Q1144 | C1139-T1142 WeakPolarHBondContact CB-OG1 3.12Å; T1142-Q1144 PolarHBondContact O-N 2.84Å; T1142-Q1144 WeakPolarHBondContact OG1-CB 3.24Å; T1142-Q1144 PolarHBondContact OG1-N 3.13Å |
| 1143 | S | 63.4 | Low | 77 | Confident | 103 Ų | 103 | 54.7 Ų | 54.7 | 72% | 0.72 | 31% | 0.306 | S | S | * | . | trans | 55.5 | 11 | -168.6 | -60.2 | 0 | 0 | 0 | 0 | 115 | C1139 | C1139-S1143 WeakPolarHBondContact O-CA 3.34Å; C1139-S1143 PolarHBondContact O-N 3.23Å | ||
| 1144 | Q | 72.4 | Confident | 76.9 | Confident | 118 Ų | 118 | 57 Ų | 57 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | trans | -85.4 | 126.8 | -175.6 | -165.5 | 174 | 16.1 | 0 | 0 | 110.6 | C1139 T1142 L1146 | C1139-Q1144 PolarHBondContact N-O 3.33Å; T1142-Q1144 PolarHBondContact O-N 2.84Å; T1142-Q1144 WeakPolarHBondContact OG1-CB 3.24Å; T1142-Q1144 PolarHBondContact OG1-N 3.13Å; Q1144-L1146 HydrophobicContact CG-CD2 4.38Å | ||
| 1145 | E | 73.5 | Confident | 76.8 | Confident | 65 Ų | 65 | 59.4 Ų | 59.4 | 30% | 0.304 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 118.4 | 168.2 | -71.2 | -167.7 | 157.9 | 0 | 0 | 110.2 | K1112 R1137 R1138 | K1112-E1145 IonicContact NZ-OE2 2.68Å; K1112-E1145 PolarHBondContact NZ-OE2 3.31Å; R1137-E1145 CarbonylContact O-C 3.52Å; R1137-E1145 WeakPolarHBondContact O-CA 3.46Å; R1138-E1145 HydrophobicContact CB-CG 4.1Å; R1138-E1145 HydrophobicContact CG-CG 4.01Å; R1138-E1145 IonicContact CZ-OE1 3.17Å; R1138-E1145 IonicContact NE-OE1 3.4Å; R1138-E1145 PolarHBondContact NE-OE1 3.21Å; R1138-E1145 IonicContact NH2-OE1 2.65Å; R1138-E1145 PolarHBondContact NH2-OE1 3.23Å |
| 1146 | L | 77.5 | Confident | 76.4 | Confident | 34 Ų | 34 | 60.9 Ų | 60.9 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 100.1 | 172 | -62.3 | 177.3 | 0 | 0 | 0 | 107.9 | V1061 P1062 R1137 Q1144 | V1061-L1146 HydrophobicContact CG1-CB 4.32Å; V1061-L1146 HydrophobicContact CG1-CD1 4.16Å; V1061-L1146 HydrophobicContact CG1-CD2 4.4Å; P1062-L1146 WeakPolarHBondContact CD-O 3.24Å; P1062-L1146 VanDerWaalsContact CG-O 3.24Å; P1062-L1146 WeakPolarHBondContact CG-O 3.42Å; R1137-L1146 PolarHBondContact N-O 3.18Å; R1137-L1146 PolarHBondContact O-N 3.48Å; Q1144-L1146 HydrophobicContact CG-CD2 4.38Å |
| 1147 | S | 73.9 | Confident | 76.2 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 54% | 0.538 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 129.3 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | C1136 | C1136-S1147 PolarHBondContact SG-OG 3.34Å |
| 1148 | G | 79.1 | Confident | 75.5 | Confident | 8 Ų | 8 | 65 Ų | 65 | 8% | 0.082 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 173.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1135 | V1135-G1148 WeakPolarHBondContact O-CA 3.26Å; V1135-G1148 PolarHBondContact O-N 3.07Å |
| 1149 | P | 81.8 | Confident | 74.7 | Confident | 75 Ų | 75 | 67 Ų | 67 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 156.5 | -178.5 | 31 | -37.2 | 0 | 0 | 0 | 113.2 | A1064 | A1064-P1149 HydrophobicContact CB-CG 3.67Š|
| 1150 | F | 80.6 | Confident | 73.7 | Confident | 79 Ų | 79 | 77 Ų | 77 | 35% | 0.346 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 150.2 | 175 | -79 | -91.3 | 0 | 0 | 0 | 113.1 | V1096 Q1098 R1132 C1134 | V1096-F1150 HydrophobicContact CB-CE1 4.49Å; V1096-F1150 HydrophobicContact CG1-CE1 4.47Å; V1096-F1150 HydrophobicContact CG1-CZ 4.44Å; Q1098-F1150 HydrophobicContact CG-CE1 3.95Å; Q1098-F1150 HydrophobicContact CG-CZ 4.44Å; R1132-F1150 HydrophobicContact CG-CD1 4.19Å; C1134-F1150 HydrophobicContact CB-CB 4.24Å; C1134-F1150 HydrophobicContact CB-CD1 3.55Å; C1134-F1150 HydrophobicContact CB-CD2 3.9Å; C1134-F1150 HydrophobicContact CB-CE1 3.74Å; C1134-F1150 HydrophobicContact CB-CE2 4.09Å; C1134-F1150 HydrophobicContact CB-CG 3.63Å; C1134-F1150 HydrophobicContact CB-CZ 4.01Å; C1134-F1150 VanDerWaalsContact SG-CZ 3.51Å |
| 1151 | S | 83.7 | Confident | 72.5 | Confident | 8 Ų | 8 | 78.8 Ų | 78.8 | 6% | 0.056 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 164.6 | 171.8 | 78.4 | 0 | 0 | 0 | 0 | 112.4 | I1065 K1066 V1133 | I1065-S1151 WeakPolarHBondContact O-CB 3.47Å; K1066-S1151 VanDerWaalsContact O-CB 3.3Å; K1066-S1151 WeakPolarHBondContact O-CB 3.21Å; V1133-S1151 PolarHBondContact N-OG 3.17Å; V1133-S1151 VanDerWaalsContact O-CB 3.25Å; V1133-S1151 WeakPolarHBondContact O-CB 3.44Å; V1133-S1151 PolarHBondContact O-N 3.03Å; V1133-S1151 PolarHBondContact O-OG 3.2Å |
| 1152 | P | 82.3 | Confident | 71.4 | Confident | 90 Ų | 90 | 80.7 Ų | 80.7 | 58% | 0.584 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 161.6 | 159.7 | -14.9 | 29.3 | 0 | 0 | 0 | 111.4 | A1067 | A1067-P1152 HydrophobicContact CB-CB 4.16Å; A1067-P1152 VanDerWaalsContact CB-O 3.3Å; A1067-P1152 WeakPolarHBondContact CB-O 3.45Å |
| 1153 | S | 81.4 | Confident | 70.3 | Confident | 57 Ų | 57 | 84 Ų | 84 | 40% | 0.399 | 45% | 0.453 | S | S | . | . | trans | -105 | 142.2 | -175.9 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | Y1107 F1131 | Y1107-S1153 WeakPolarHBondContact OH-CB 3.25Å; Y1107-S1153 PolarHBondContact OH-OG 2.54Å; F1131-S1153 CarbonylContact O-C 3.55Å; F1131-S1153 WeakPolarHBondContact O-CA 3.23Å | ||
| 1154 | V | 80.9 | Confident | 69 | Low | 48 Ų | 48 | 86.9 Ų | 86.9 | 29% | 0.291 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 153.4 | 173.2 | 76.2 | 0 | 0 | 0 | 0 | 111.1 | P1068 V1070 R1130 F1131 | P1068-V1154 HydrophobicContact CG-CG1 4.11Å; P1068-V1154 WeakPolarHBondContact O-CG1 2.97Å; V1070-V1154 HydrophobicContact CG2-CG1 3.6Å; R1130-V1154 CarbonylContact C-O 3.52Å; R1130-V1154 WeakPolarHBondContact CA-O 3.33Å; R1130-V1154 WeakPolarHBondContact CB-O 3.33Å; F1131-V1154 HydrophobicContact CB-CG1 4.28Å; F1131-V1154 PolarHBondContact N-O 3.01Å; F1131-V1154 PolarHBondContact O-N 2.88Å |
| 1155 | A | 81.1 | Confident | 67.6 | Low | 55 Ų | 55 | 88.5 Ų | 88.5 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 155.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1129 R1130 | Y1129-A1155 CarbonylContact O-C 3.58Å; Y1129-A1155 WeakPolarHBondContact O-CA 3.45Å; R1130-A1155 HydrophobicContact CG-CB 3.92Å |
| 1156 | F | 76.8 | Confident | 65.9 | Low | 31 Ų | 31 | 90.3 Ų | 90.3 | 14% | 0.136 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 140.1 | -172 | 178.6 | -102.8 | 0 | 0 | 0 | 112.8 | V1070 Q1072 C1078 L1123 D1128 Y1129 F1131 L1158 | V1070-F1156 HydrophobicContact CG1-CB 3.96Å; V1070-F1156 HydrophobicContact CG1-CD1 4.2Å; V1070-F1156 HydrophobicContact CG1-CD2 3.76Å; V1070-F1156 HydrophobicContact CG1-CE2 4.35Å; V1070-F1156 HydrophobicContact CG1-CG 3.68Å; Q1072-F1156 HydrophobicContact CB-CE2 3.88Å; Q1072-F1156 HydrophobicContact CB-CZ 3.69Å; Q1072-F1156 HydrophobicContact CG-CZ 3.95Å; C1078-F1156 HydrophobicContact CB-CD1 4.26Å; C1078-F1156 HydrophobicContact CB-CE1 3.68Å; C1078-F1156 HydrophobicContact CB-CZ 3.86Å; L1123-F1156 HydrophobicContact CD1-CE1 3.92Å; D1128-F1156 CarbonylContact C-O 3.56Å; D1128-F1156 WeakPolarHBondContact CA-O 3.3Å; Y1129-F1156 PolarHBondContact N-O 3.09Å; Y1129-F1156 PolarHBondContact O-N 3.06Å; F1131-F1156 HydrophobicContact CE2-CB 4.45Å; F1156-L1158 HydrophobicContact CE1-CD1 3.68Å; F1156-L1158 HydrophobicContact CZ-CD1 3.76Å |
| 1157 | M | 76.4 | Confident | 63.8 | Low | 90 Ų | 90 | 92.4 Ų | 92.4 | 44% | 0.443 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 138.1 | -179.7 | -179.3 | -176.9 | -67.6 | 0 | 0 | 112.1 | T1127 D1128 | T1127-M1157 WeakPolarHBondContact O-CA 3.05Å; T1127-M1157 WeakPolarHBondContact O-CG 3.29Å; D1128-M1157 HydrophobicContact CB-CE 3.88Å |
| 1158 | L | 67.7 | Low | 62.1 | Low | 6 Ų | 6 | 98 Ų | 98 | 3% | 0.031 | 54% | 0.542 | C | S | . | . | B | Isolated β-bridge | trans | -85.8 | 147.7 | 174.9 | -119.7 | 80.8 | 0 | 0 | 0 | 112.3 | Q1072 N1076 L1123 V1125 N1126 F1156 | Q1072-L1158 HydrophobicContact CG-CD1 4.14Å; N1076-L1158 HydrophobicContact CB-CD2 4.2Å; L1123-L1158 HydrophobicContact CD1-CD1 4.27Å; V1125-L1158 HydrophobicContact CG1-CB 4.29Å; V1125-L1158 HydrophobicContact CG2-CD2 4.33Å; N1126-L1158 WeakPolarHBondContact CA-O 3.24Å; N1126-L1158 PolarHBondContact N-O 2.78Å; N1126-L1158 PolarHBondContact OD1-O 3.12Å; F1156-L1158 HydrophobicContact CE1-CD1 3.68Å; F1156-L1158 HydrophobicContact CZ-CD1 3.76Å |
| 1159 | Q | 61.5 | Low | 60.1 | Low | 166 Ų | 166 | 104.3 Ų | 104.3 | 78% | 0.776 | 58% | 0.579 | S | S | * | * | trans | -118.4 | 163.2 | -179.7 | -66.4 | -172 | -9 | 0 | 0 | 114.5 | V1125 | V1125-Q1159 VanDerWaalsContact CG1-C 3.46Š| ||
| 1160 | R | 49.8 | Very low | 57.9 | Low | 212 Ų | 212 | 104.1 Ų | 104.1 | 80% | 0.8 | 59% | 0.59 | S | S | * | * | trans | -139.3 | 157.2 | 172.9 | -132.5 | -179.3 | -176.4 | 175.2 | 1.1 | 110.1 | V1125 | V1125-R1160 HydrophobicContact CG1-CB 3.98Š| ||
| 1161 | N | 46.8 | Very low | 55.8 | Low | 150 Ų | 150 | 105.4 Ų | 105.4 | 80% | 0.802 | 61% | 0.609 | S | S | * | * | trans | -72.4 | 151.9 | 178.1 | -76 | 9.5 | 0 | 0 | 0 | 113.8 | ||||
| 1162 | D | 41.7 | Very low | 53.5 | Low | 139 Ų | 139 | 112.1 Ų | 112.1 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | trans | 81.8 | 105.6 | 158.5 | -56.7 | -29.6 | 0 | 0 | 0 | 122 | ||||
| 1163 | I | 43.3 | Very low | 51.4 | Low | 154 Ų | 154 | 115.3 Ų | 115.3 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | trans | 84.2 | 106.2 | 133.9 | -60.7 | 176.2 | 0 | 0 | 0 | 121.6 | ||||
| 1164 | M | 37.5 | Very low | 49.1 | Very low | 163 Ų | 163 | 118.7 Ų | 118.7 | 80% | 0.803 | 67% | 0.669 | S | S | * | * | trans | 76.5 | 119.3 | 141.7 | -68.5 | -67.8 | -163.7 | 0 | 0 | 126.6 | ||||
| 1165 | L | 41.9 | Very low | 47.9 | Very low | 152 Ų | 152 | 121.1 Ų | 121.1 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | trans | 74.8 | 114.9 | 131.6 | -75.9 | 166.4 | 0 | 0 | 0 | 127.3 | ||||
| 1166 | A | 37.8 | Very low | 45.9 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | 72.4 | 144 | 127.7 | 0 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 1167 | G | 33.8 | Very low | 44 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | 151.7 | 58 | 156.1 | 0 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1168 | E | 37.5 | Very low | 42 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | trans | 48.2 | 165.8 | 139.1 | -145 | 156.8 | -121.9 | 0 | 0 | 129.2 | ||||
| 1169 | V | 37.8 | Very low | 40.5 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | 89 | 149.2 | 167.9 | -172.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1170 | G | 35 | Very low | 39.1 | Very low | 71 Ų | 71 | 142.3 Ų | 142.3 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | cis | 161.2 | 175.1 | -3.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1171 | S | 36.8 | Very low | 38.4 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -173.6 | 173.5 | -21.9 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1172 | L | 34.8 | Very low | 38.3 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | 82.5 | 163.6 | 168.6 | -46.9 | 175.4 | 0 | 0 | 0 | 120.8 | ||||
| 1173 | D | 38.8 | Very low | 39 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | -160.6 | -151.6 | -51.1 | -86.1 | -9.1 | 0 | 0 | 0 | 114.8 | |||||
| 1174 | D | 33.7 | Very low | 39.4 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | trans | -125.2 | 156.7 | -148.2 | -177.9 | 82.4 | 0 | 0 | 0 | 121.3 | K1176 | D1174-K1176 IonicContact OD1-NZ 3.32Å; D1174-K1176 PolarHBondContact OD1-NZ 3.05Å; D1174-K1176 IonicContact OD2-NZ 2.86Å; D1174-K1176 PolarHBondContact OD2-NZ 2.83Å | ||
| 1175 | P | 55.4 | Low | 40.2 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | -116.9 | -178.9 | 179.3 | 43.5 | -35 | 0 | 0 | 0 | 116.5 | ||||
| 1176 | K | 38.5 | Very low | 40.7 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 70% | 0.704 | 79% | 0.792 | S | S | * | * | trans | 169.4 | 161.4 | 154.2 | -99.2 | 150.6 | -146.3 | 128 | 0 | 123.6 | D1174 | D1174-K1176 IonicContact OD1-NZ 3.32Å; D1174-K1176 PolarHBondContact OD1-NZ 3.05Å; D1174-K1176 IonicContact OD2-NZ 2.86Å; D1174-K1176 PolarHBondContact OD2-NZ 2.83Å | ||
| 1177 | I | 37.5 | Very low | 41.5 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | 105.1 | 166.3 | 138.3 | -82.2 | 161 | 0 | 0 | 0 | 125.1 | ||||
| 1178 | K | 35.1 | Very low | 42.5 | Very low | 189 Ų | 189 | 142 Ų | 142 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -111.5 | -177.3 | -145.3 | -90.1 | -171.9 | 173 | -171.9 | 0 | 117.2 | ||||
| 1179 | S | 35.7 | Very low | 43.3 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | cis | 173.1 | 173 | -31.5 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1180 | M | 32.6 | Very low | 44.1 | Very low | 180 Ų | 180 | 136 Ų | 136 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | trans | 97.9 | 112.8 | 152.9 | -172.7 | 179.4 | 168.3 | 0 | 0 | 123.4 | ||||
| 1181 | I | 33.6 | Very low | 45.4 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | -156.6 | 179.7 | 150.1 | 13.4 | 176.7 | 0 | 0 | 0 | 111.1 | ||||
| 1182 | P | 45.2 | Very low | 46.8 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | -106.7 | -168 | -148.8 | 44.1 | -37.7 | 0 | 0 | 0 | 118.1 | ||||
| 1183 | T | 56.1 | Low | 48 | Very low | 128 Ų | 128 | 137 Ų | 137 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -121 | 163.9 | -159.6 | 49.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1184 | D | 51.7 | Low | 49.2 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | -87.7 | -10.9 | -153.8 | -54.5 | -76.2 | 0 | 0 | 0 | 120.2 | Q1186 F1187 | D1184-Q1186 PolarHBondContact O-N 3.28Å; D1184-F1187 PolarHBondContact O-N 2.7Å | ||
| 1185 | E | 54.4 | Low | 50.7 | Low | 186 Ų | 186 | 132 Ų | 132 | 87% | 0.869 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -17.3 | -164.6 | -68.8 | -171.7 | 134.3 | 0 | 0 | 115.8 | ||
| 1186 | Q | 52 | Low | 51 | Low | 180 Ų | 180 | 130.3 Ų | 130.3 | 84% | 0.841 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -13.9 | 177.7 | -66.3 | -174.3 | -13.7 | 0 | 0 | 114.4 | D1184 | D1184-Q1186 PolarHBondContact O-N 3.28Š|
| 1187 | F | 55.5 | Low | 52.2 | Low | 160 Ų | 160 | 125.7 Ų | 125.7 | 70% | 0.702 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -77.9 | -27.9 | -179.9 | -107.8 | -87.6 | 0 | 0 | 0 | 114 | D1184 A1189 | D1184-F1187 PolarHBondContact O-N 2.7Å; F1187-A1189 PolarHBondContact O-N 2.73Å |
| 1188 | A | 55.1 | Low | 53.5 | Low | 64 Ų | 64 | 123.3 Ų | 123.3 | 53% | 0.529 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -68.7 | -36.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1190 I1191 | A1188-L1190 PolarHBondContact O-N 3.21Å; A1188-I1191 PolarHBondContact O-N 3.13Å |
| 1189 | A | 53.7 | Low | 54.8 | Low | 72 Ų | 72 | 118.3 Ų | 118.3 | 60% | 0.595 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68 | -30.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F1187 | F1187-A1189 PolarHBondContact O-N 2.73Å |
| 1190 | L | 54.6 | Low | 56.4 | Low | 139 Ų | 139 | 119.3 Ų | 119.3 | 73% | 0.728 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.5 | -29.3 | -178.7 | -82.8 | 162.8 | 0 | 0 | 0 | 113.2 | A1188 | A1188-L1190 PolarHBondContact O-N 3.21Å |
| 1191 | I | 63.1 | Low | 58.2 | Low | 100 Ų | 100 | 115.7 Ų | 115.7 | 51% | 0.513 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -74.2 | -38.9 | -175.4 | -61.8 | 176.4 | 0 | 0 | 0 | 111.2 | A1188 L1193 G1194 F1195 | A1188-I1191 PolarHBondContact O-N 3.13Å; I1191-L1193 PolarHBondContact O-N 3.31Å; I1191-G1194 PolarHBondContact O-N 3.21Å; I1191-G1194 VanDerWaalsContact O-N 3.14Å; I1191-F1195 HydrophobicContact CG2-CD2 4.09Å; I1191-F1195 HydrophobicContact CG2-CE2 3.78Å |
| 1192 | V | 64.9 | Low | 59.6 | Low | 111 Ų | 111 | 114.3 Ų | 114.3 | 67% | 0.673 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65 | -37.3 | -175 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | G1194 | V1192-G1194 VanDerWaalsContact C-N 3.31Å; V1192-G1194 PolarHBondContact O-N 3.16Å |
| 1193 | L | 60.8 | Low | 60.5 | Low | 136 Ų | 136 | 111.2 Ų | 111.2 | 71% | 0.712 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.9 | -27.7 | 175.7 | -89.5 | 155.7 | 0 | 0 | 0 | 113.3 | I1191 S1197 | I1191-L1193 PolarHBondContact O-N 3.31Å; L1193-S1197 PolarHBondContact O-OG 2.89Å |
| 1194 | G | 64.1 | Low | 60.9 | Low | 34 Ų | 34 | 108.8 Ų | 108.8 | 35% | 0.351 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.1 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1191 V1192 S1197 | I1191-G1194 PolarHBondContact O-N 3.21Å; I1191-G1194 VanDerWaalsContact O-N 3.14Å; V1192-G1194 VanDerWaalsContact C-N 3.31Å; V1192-G1194 PolarHBondContact O-N 3.16Å; G1194-S1197 PolarHBondContact O-OG 3.45Å |
| 1195 | F | 65.2 | Low | 61.7 | Low | 146 Ų | 146 | 106.5 Ų | 106.5 | 64% | 0.64 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.5 | -32.6 | -177.6 | -77.3 | -77.2 | 0 | 0 | 0 | 113.7 | I1191 S1197 S1199 | I1191-F1195 HydrophobicContact CG2-CD2 4.09Å; I1191-F1195 HydrophobicContact CG2-CE2 3.78Å; F1195-S1197 VanDerWaalsContact C-N 3.27Å; F1195-S1197 PolarHBondContact O-N 2.9Å; F1195-S1199 PolarHBondContact O-OG 2.92Å |
| 1196 | A | 61.5 | Low | 62 | Low | 64 Ų | 64 | 102 Ų | 102 | 53% | 0.529 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.2 | -29.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1197 | S | 63.4 | Low | 62.2 | Low | 64 Ų | 64 | 100.4 Ų | 100.4 | 45% | 0.448 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -84.1 | -32.2 | -177.5 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | L1193 G1194 F1195 S1199 I1200 I1201 | L1193-S1197 PolarHBondContact O-OG 2.89Å; G1194-S1197 PolarHBondContact O-OG 3.45Å; F1195-S1197 VanDerWaalsContact C-N 3.27Å; F1195-S1197 PolarHBondContact O-N 2.9Å; S1197-S1199 PolarHBondContact O-N 3Å; S1197-I1200 PolarHBondContact O-N 3.05Å; S1197-I1201 PolarHBondContact O-N 2.9Å |
| 1198 | L | 65.8 | Low | 62.5 | Low | 115 Ų | 115 | 101 Ų | 101 | 60% | 0.602 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.8 | -39.8 | 173.9 | -95.7 | 130.8 | 0 | 0 | 0 | 112.9 | I1200 I1201 F1202 | L1198-I1200 VanDerWaalsContact C-N 3.28Å; L1198-I1200 PolarHBondContact O-N 2.92Å; L1198-I1201 PolarHBondContact O-N 2.87Å; L1198-F1202 PolarHBondContact O-N 3.37Å |
| 1199 | S | 62.2 | Low | 62.6 | Low | 84 Ų | 84 | 105.4 Ų | 105.4 | 59% | 0.587 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.4 | -35.7 | -179.6 | -56.2 | 0 | 0 | 0 | 0 | 113.3 | F1195 S1197 A1203 | F1195-S1199 PolarHBondContact O-OG 2.92Å; S1197-S1199 PolarHBondContact O-N 3Å; S1199-A1203 PolarHBondContact O-N 2.81Å |
| 1200 | I | 69.6 | Low | 62.7 | Low | 118 Ų | 118 | 110.4 Ų | 110.4 | 61% | 0.605 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.8 | -41.4 | 179.5 | -61.2 | 173.9 | 0 | 0 | 0 | 110.4 | S1197 L1198 F1202 A1203 C1204 | S1197-I1200 PolarHBondContact O-N 3.05Å; L1198-I1200 VanDerWaalsContact C-N 3.28Å; L1198-I1200 PolarHBondContact O-N 2.92Å; I1200-F1202 VanDerWaalsContact C-N 3.31Å; I1200-F1202 PolarHBondContact O-N 3.08Å; I1200-A1203 PolarHBondContact O-N 2.85Å; I1200-C1204 PolarHBondContact O-N 2.77Å |
| 1201 | I | 69.3 | Low | 62.4 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 53% | 0.533 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.6 | -40.4 | 176.9 | -63.7 | 169.5 | 0 | 0 | 0 | 110.6 | S1197 L1198 A1203 C1204 I1205 | S1197-I1201 PolarHBondContact O-N 2.9Å; L1198-I1201 PolarHBondContact O-N 2.87Å; I1201-A1203 PolarHBondContact O-N 3.45Å; I1201-C1204 PolarHBondContact O-N 3.39Å; I1201-I1205 HydrophobicContact CG2-CD1 3.95Å; I1201-I1205 WeakPolarHBondContact O-CG1 3.42Å; I1201-I1205 PolarHBondContact O-N 2.92Å; I1201-I1205 VanDerWaalsContact O-N 3.11Å |
| 1202 | F | 63.9 | Low | 61.3 | Low | 140 Ų | 140 | 118.4 Ų | 118.4 | 61% | 0.614 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.7 | -37.6 | 178.8 | -147.2 | -90 | 0 | 0 | 0 | 112.7 | L1198 I1200 I1205 L1206 | L1198-F1202 PolarHBondContact O-N 3.37Å; I1200-F1202 VanDerWaalsContact C-N 3.31Å; I1200-F1202 PolarHBondContact O-N 3.08Å; F1202-I1205 PolarHBondContact O-N 3.25Å; F1202-L1206 HydrophobicContact CD1-CD1 4.01Å; F1202-L1206 HydrophobicContact CE1-CD1 4.26Å; F1202-L1206 PolarHBondContact O-N 3.18Å; F1202-L1206 VanDerWaalsContact O-N 3.11Å |
| 1203 | A | 64.1 | Low | 61.1 | Low | 56 Ų | 56 | 118.8 Ų | 118.8 | 46% | 0.463 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.5 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1199 I1200 I1201 I1205 L1206 Q1207 | S1199-A1203 PolarHBondContact O-N 2.81Å; I1200-A1203 PolarHBondContact O-N 2.85Å; I1201-A1203 PolarHBondContact O-N 3.45Å; A1203-I1205 VanDerWaalsContact C-N 3.33Å; A1203-I1205 PolarHBondContact O-N 2.89Å; A1203-L1206 PolarHBondContact O-N 3.14Å; A1203-Q1207 PolarHBondContact O-N 3.42Å; A1203-Q1207 VanDerWaalsContact O-N 3.09Å |
| 1204 | C | 63.9 | Low | 61.2 | Low | 77 Ų | 77 | 117.9 Ų | 117.9 | 52% | 0.52 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.3 | -34.4 | 176.2 | -64.7 | 0 | 0 | 0 | 0 | 112.9 | I1200 I1201 Q1207 Y1208 | I1200-C1204 PolarHBondContact O-N 2.77Å; I1201-C1204 PolarHBondContact O-N 3.39Å; C1204-Q1207 PolarHBondContact O-N 3.41Å; C1204-Y1208 PolarHBondContact O-N 3.46Å; C1204-Y1208 VanDerWaalsContact O-N 3.17Å |
| 1205 | I | 68.2 | Low | 61 | Low | 87 Ų | 87 | 122.6 Ų | 122.6 | 45% | 0.446 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.1 | -42.2 | 176.6 | -69 | 167.3 | 0 | 0 | 0 | 111 | I1201 F1202 A1203 Q1207 Y1208 F1209 | I1201-I1205 HydrophobicContact CG2-CD1 3.95Å; I1201-I1205 WeakPolarHBondContact O-CG1 3.42Å; I1201-I1205 PolarHBondContact O-N 2.92Å; I1201-I1205 VanDerWaalsContact O-N 3.11Å; F1202-I1205 PolarHBondContact O-N 3.25Å; A1203-I1205 VanDerWaalsContact C-N 3.33Å; A1203-I1205 PolarHBondContact O-N 2.89Å; I1205-Q1207 VanDerWaalsContact C-N 3.33Å; I1205-Q1207 PolarHBondContact O-N 3.44Å; I1205-Y1208 PolarHBondContact O-N 2.97Å; I1205-F1209 HydrophobicContact CG2-CD2 4.37Å; I1205-F1209 PolarHBondContact O-N 2.6Å |
| 1206 | L | 61.7 | Low | 60.8 | Low | 92 Ų | 92 | 121.2 Ų | 121.2 | 48% | 0.482 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -59.9 | -42.8 | 173.5 | -81.4 | 162.6 | 0 | 0 | 0 | 111.8 | F1202 A1203 Y1208 F1209 F1210 | F1202-L1206 HydrophobicContact CD1-CD1 4.01Å; F1202-L1206 HydrophobicContact CE1-CD1 4.26Å; F1202-L1206 PolarHBondContact O-N 3.18Å; F1202-L1206 VanDerWaalsContact O-N 3.11Å; A1203-L1206 PolarHBondContact O-N 3.14Å; L1206-Y1208 VanDerWaalsContact C-N 3.27Å; L1206-Y1208 PolarHBondContact O-N 3.31Å; L1206-F1209 PolarHBondContact O-N 2.93Å; L1206-F1209 VanDerWaalsContact O-N 3.16Å; L1206-F1210 PolarHBondContact O-N 3.02Å |
| 1207 | Q | 56.8 | Low | 60.7 | Low | 145 Ų | 145 | 124.8 Ų | 124.8 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.1 | -27.1 | 179.4 | -161.3 | 170.7 | 13.1 | 0 | 0 | 113.2 | A1203 C1204 I1205 | A1203-Q1207 PolarHBondContact O-N 3.42Å; A1203-Q1207 VanDerWaalsContact O-N 3.09Å; C1204-Q1207 PolarHBondContact O-N 3.41Å; I1205-Q1207 VanDerWaalsContact C-N 3.33Å; I1205-Q1207 PolarHBondContact O-N 3.44Å |
| 1208 | Y | 60.1 | Low | 60.5 | Low | 174 Ų | 174 | 128.8 Ų | 128.8 | 68% | 0.682 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.5 | -32.4 | 173.3 | -174.7 | -101.4 | 0 | 0 | 0 | 113.1 | C1204 I1205 L1206 | C1204-Y1208 PolarHBondContact O-N 3.46Å; C1204-Y1208 VanDerWaalsContact O-N 3.17Å; I1205-Y1208 PolarHBondContact O-N 2.97Å; L1206-Y1208 VanDerWaalsContact C-N 3.27Å; L1206-Y1208 PolarHBondContact O-N 3.31Å |
| 1209 | F | 58.3 | Low | 60.2 | Low | 156 Ų | 156 | 129.8 Ų | 129.8 | 68% | 0.684 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -80 | -17.9 | 179.6 | -93.2 | -82.3 | 0 | 0 | 0 | 114.6 | I1205 L1206 | I1205-F1209 HydrophobicContact CG2-CD2 4.37Å; I1205-F1209 PolarHBondContact O-N 2.6Å; L1206-F1209 PolarHBondContact O-N 2.93Å; L1206-F1209 VanDerWaalsContact O-N 3.16Å |
| 1210 | F | 54.7 | Low | 60 | Low | 176 Ų | 176 | 133.3 Ų | 133.3 | 77% | 0.772 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 2.5 | 178.3 | -88.6 | -76.7 | 0 | 0 | 0 | 114.8 | L1206 | L1206-F1210 PolarHBondContact O-N 3.02Š|
| 1211 | M | 49.6 | Very low | 59.2 | Low | 167 Ų | 167 | 134.6 Ų | 134.6 | 82% | 0.823 | 65% | 0.645 | S | S | * | * | trans | -116.9 | 36.1 | 176.8 | -67.1 | -149.1 | 73.4 | 0 | 0 | 112.9 | ||||
| 1212 | K | 40 | Very low | 58.3 | Low | 241 Ų | 241 | 137.4 Ų | 137.4 | 100% | 1.048 | 66% | 0.656 | S | S | * | * | trans | -152.6 | 0 | 178.6 | -149.9 | -179.6 | -175 | -175.9 | 0 | 113.1 |
Retrieved 1,212 of 1,212 residues in 6187.7 ms
(Link to these results)