| 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 | 52.2 | Low | 55.4 | Low | 240 Ų | 240 | 150.5 Ų | 150.5 | 100% | 1.182 | 76% | 0.757 | S | S | * | * | 0 | -3.1 | 0 | -68.8 | -168.2 | -171.1 | 0 | 0 | 114.6 | |||||
| 2 | L | 53.5 | Low | 54.5 | Low | 155 Ų | 155 | 150 Ų | 150 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | -90.9 | -11.4 | 179.4 | -93.8 | 135.2 | 0 | 0 | 0 | 115.6 | ||||
| 3 | I | 59.5 | Low | 54.1 | Low | 149 Ų | 149 | 152.2 Ų | 152.2 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -88.5 | -18.5 | -170.5 | -64.7 | 167.2 | 0 | 0 | 0 | 112.7 | ||
| 4 | S | 54.8 | Low | 53.7 | Low | 93 Ų | 93 | 153.9 Ų | 153.9 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | H | α-helix | trans | -81.5 | -19 | -179.6 | -174.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 5 | W | 54.1 | Low | 53.1 | Low | 198 Ų | 198 | 154.5 Ų | 154.5 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -79.3 | -30.2 | -179.5 | -134.4 | 76 | 0 | 0 | 0 | 112.7 | H9 | W5-H9 AromaticContact CZ3-CD2 3.99Å |
| 6 | L | 57.3 | Low | 52.4 | Low | 121 Ų | 121 | 153.6 Ų | 153.6 | 63% | 0.634 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -75.6 | -28.2 | -178.8 | -103.2 | 136.8 | 0 | 0 | 0 | 113.8 | H9 | L6-H9 PolarHBondContact O-N 3.29Å |
| 7 | L | 55.7 | Low | 52.2 | Low | 131 Ų | 131 | 153.1 Ų | 153.1 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -17.4 | 179.7 | -122.7 | 81.9 | 0 | 0 | 0 | 113.9 | ||
| 8 | K | 56 | Low | 51.6 | Low | 170 Ų | 170 | 149.3 Ų | 149.3 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -18.1 | 172.7 | -81.6 | -176.4 | 174.9 | -176.9 | 0 | 113.3 | ||
| 9 | H | 56.4 | Low | 51.1 | Low | 137 Ų | 137 | 144.5 Ų | 144.5 | 63% | 0.634 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -85.6 | -10.3 | 177.6 | -115.7 | -73.1 | 0 | 0 | 0 | 114.1 | W5 L6 | W5-H9 AromaticContact CZ3-CD2 3.99Å; L6-H9 PolarHBondContact O-N 3.29Å |
| 10 | L | 55.2 | Low | 50.9 | Low | 141 Ų | 141 | 141.8 Ų | 141.8 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -103 | 1.9 | -177.6 | -104.2 | 148.1 | 0 | 0 | 0 | 114.4 | ||
| 11 | V | 54.7 | Low | 50.9 | Low | 121 Ų | 121 | 141 Ų | 141 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -116.8 | 11.9 | -175.8 | -177 | 0 | 0 | 0 | 0 | 112.5 | ||
| 12 | L | 45.3 | Very low | 50.7 | Low | 144 Ų | 144 | 134.4 Ų | 134.4 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -135.9 | 29.4 | -178.6 | -93.4 | 164.2 | 0 | 0 | 0 | 114.6 | ||||
| 13 | E | 48.9 | Very low | 50.6 | Low | 178 Ų | 178 | 136.9 Ų | 136.9 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | -100.6 | 8.6 | 170.7 | -131.6 | 172.8 | -166.2 | 0 | 0 | 113.9 | L15 | E13-L15 PolarHBondContact O-N 3.44Š| ||
| 14 | E | 48.4 | Very low | 50.8 | Low | 176 Ų | 176 | 134.5 Ų | 134.5 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -83.5 | 104.4 | 153.4 | -66.7 | -166.5 | 166.9 | 0 | 0 | 107.4 | ||||
| 15 | L | 45 | Very low | 51.1 | Low | 163 Ų | 163 | 137.9 Ų | 137.9 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 153.7 | 62.8 | 155.3 | -80.3 | 169.8 | 0 | 0 | 0 | 111.3 | E13 | E13-L15 PolarHBondContact O-N 3.44Š|
| 16 | N | 41.9 | Very low | 52.1 | Low | 141 Ų | 141 | 131.5 Ų | 131.5 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | -170.4 | 12.4 | 142.9 | -131.6 | -13.7 | 0 | 0 | 0 | 118.4 | G18 | N16-G18 PolarHBondContact O-N 3.46Å; N16-G18 VanDerWaalsContact O-N 3.14Å | ||
| 17 | I | 48.7 | Very low | 53.5 | Low | 144 Ų | 144 | 133.1 Ų | 133.1 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -1.7 | -178.7 | -57.4 | 170.7 | 0 | 0 | 0 | 112.2 | I21 | I17-I21 HydrophobicContact CG2-CD1 4.23Š|
| 18 | G | 42.3 | Very low | 54.8 | Low | 86 Ų | 86 | 136.8 Ų | 136.8 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -5.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | N16 | N16-G18 PolarHBondContact O-N 3.46Å; N16-G18 VanDerWaalsContact O-N 3.14Å |
| 19 | G | 41.2 | Very low | 56.2 | Low | 58 Ų | 58 | 135.4 Ų | 135.4 | 60% | 0.598 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -109.2 | -17.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 20 | A | 47.7 | Very low | 57.6 | Low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -120.3 | 5.6 | -164.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 21 | I | 49.4 | Very low | 59.1 | Low | 125 Ų | 125 | 129.6 Ų | 129.6 | 64% | 0.641 | 74% | 0.735 | S | S | * | * | trans | -95.7 | 3.2 | -175.6 | -62.2 | 171 | 0 | 0 | 0 | 113 | I17 K23 | I17-I21 HydrophobicContact CG2-CD1 4.23Å; I21-K23 PolarHBondContact O-N 3.24Å | ||
| 22 | S | 48.5 | Very low | 60.7 | Low | 101 Ų | 101 | 130.7 Ų | 130.7 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -16.3 | -177.3 | 59 | 0 | 0 | 0 | 0 | 115.1 | ||
| 23 | K | 52.7 | Low | 62.6 | Low | 207 Ų | 207 | 130.3 Ų | 130.3 | 90% | 0.9 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -7.3 | -172.9 | -80.6 | -177.5 | 177.3 | 176.6 | 0 | 116.4 | I21 | I21-K23 PolarHBondContact O-N 3.24Š|
| 24 | A | 62.1 | Low | 64.5 | Low | 100 Ų | 100 | 130.4 Ų | 130.4 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -112.1 | 1.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 25 | M | 62.6 | Low | 66.5 | Low | 164 Ų | 164 | 128 Ų | 128 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | trans | -96.9 | 100.9 | -178.6 | -159.7 | 109.8 | 84.4 | 0 | 0 | 110.3 | ||||
| 26 | G | 75.1 | Confident | 68.6 | Low | 64 Ų | 64 | 121 Ų | 121 | 66% | 0.66 | 67% | 0.672 | S | S | * | * | trans | -59.4 | 155.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R28 | G26-R28 PolarHBondContact O-N 3.31Š| ||
| 27 | E | 85.8 | Confident | 70.9 | Confident | 155 Ų | 155 | 120.3 Ų | 120.3 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | trans | -57.4 | 137.2 | 178.8 | -172.2 | -178.8 | -178.8 | 0 | 0 | 111.7 | K29 G30 | E27-K29 PolarHBondContact O-N 3.15Å; E27-K29 VanDerWaalsContact O-N 3.14Å; E27-G30 PolarHBondContact O-N 3.43Å | ||
| 28 | R | 82.8 | Confident | 73 | Confident | 207 Ų | 207 | 117.7 Ų | 117.7 | 78% | 0.781 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -35.2 | -178.1 | -172.4 | -170.7 | 67.8 | 87.5 | -13.1 | 113.4 | G26 | G26-R28 PolarHBondContact O-N 3.31Š|
| 29 | K | 86.5 | Confident | 75.2 | Confident | 141 Ų | 141 | 114.8 Ų | 114.8 | 61% | 0.613 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | 46.9 | 178.9 | -72.5 | -178.2 | 164.1 | -179.2 | 0 | 110.6 | E27 T31 | E27-K29 PolarHBondContact O-N 3.15Å; E27-K29 VanDerWaalsContact O-N 3.14Å; K29-T31 PolarHBondContact O-N 3.43Å |
| 30 | G | 84.2 | Confident | 77.5 | Confident | 27 Ų | 27 | 116 Ų | 116 | 28% | 0.278 | 62% | 0.619 | S | S | . | * | trans | -51.5 | 119.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E27 N32 | E27-G30 PolarHBondContact O-N 3.43Å; G30-N32 VanDerWaalsContact C-N 3.34Å | ||
| 31 | T | 87.9 | Confident | 79.5 | Confident | 129 Ų | 129 | 115.8 Ų | 115.8 | 79% | 0.791 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -63 | -45 | 179.6 | 47.8 | 0 | 0 | 0 | 0 | 110.4 | K29 | K29-T31 PolarHBondContact O-N 3.43Š|
| 32 | N | 88 | Confident | 81.4 | Confident | 144 Ų | 144 | 117 Ų | 117 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | trans | -109.9 | 140.3 | 178.5 | -62.4 | -24.2 | 0 | 0 | 0 | 109.9 | G30 | G30-N32 VanDerWaalsContact C-N 3.34Š| ||
| 33 | K | 85.6 | Confident | 83.2 | Confident | 136 Ų | 136 | 121.1 Ų | 121.1 | 59% | 0.591 | 62% | 0.619 | S | S | * | * | trans | -114 | 140.9 | 169.9 | -66.8 | 144.7 | -170.9 | 167.6 | 0 | 106.7 | Y35 | K33-Y35 HydrophobicContact CB-CE2 4.3Å; K33-Y35 WeakPolarHBondContact O-CD2 3.45Å; K33-Y35 PolarHBondContact O-N 3.47Å | ||
| 34 | Y | 87.9 | Confident | 84.8 | Confident | 181 Ų | 181 | 113.9 Ų | 113.9 | 71% | 0.71 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 122.5 | 170.6 | 176.8 | -104 | 0 | 0 | 0 | 108.8 | P36 P37 | Y34-P36 HydrophobicContact CE1-CB 3.91Å; Y34-P37 WeakPolarHBondContact OH-CD 3.31Å |
| 35 | Y | 90.3 | Very high | 86 | Confident | 126 Ų | 126 | 117.4 Ų | 117.4 | 49% | 0.494 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -102.9 | 125.4 | 167.1 | -67.6 | -87.9 | 0 | 0 | 0 | 106.6 | K33 F39 L47 | K33-Y35 HydrophobicContact CB-CE2 4.3Å; K33-Y35 WeakPolarHBondContact O-CD2 3.45Å; K33-Y35 PolarHBondContact O-N 3.47Å; Y35-F39 AromaticContact CD1-CD1 3.53Å; Y35-F39 HydrophobicContact CD1-CD1 3.53Å; Y35-F39 AromaticContact CD1-CE1 3.56Å; Y35-F39 HydrophobicContact CD1-CE1 3.56Å; Y35-F39 HydrophobicContact CD1-CG 4.11Å; Y35-F39 HydrophobicContact CD1-CZ 4.16Å; Y35-F39 HydrophobicContact CE1-CD1 4.28Å; Y35-F39 AromaticContact CE1-CE1 3.84Å; Y35-F39 HydrophobicContact CE1-CE1 3.84Å; Y35-F39 HydrophobicContact CE1-CZ 4.21Å; Y35-F39 HydrophobicContact CG-CD1 4.27Å; Y35-L47 HydrophobicContact CD1-CD1 4.38Å; Y35-L47 HydrophobicContact CE1-CB 4.45Å |
| 36 | P | 90 | Very high | 87.1 | Confident | 16 Ų | 16 | 113.4 Ų | 113.4 | 10% | 0.104 | 57% | 0.566 | C | S | . | * | P | Polyproline II helix | trans | -68.5 | 152.1 | 180 | 32 | -34.4 | 0 | 0 | 0 | 109.7 | Y34 D38 F39 Y50 | Y34-P36 HydrophobicContact CE1-CB 3.91Å; P36-D38 WeakPolarHBondContact CB-OD1 3.37Å; P36-D38 WeakPolarHBondContact CG-OD1 3.48Å; P36-D38 PolarHBondContact O-N 3.21Å; P36-D38 VanDerWaalsContact O-N 3.12Å; P36-F39 HydrophobicContact CG-CB 4.01Å; P36-F39 WeakPolarHBondContact O-CB 3.29Å; P36-F39 PolarHBondContact O-N 3.39Å; P36-Y50 HydrophobicContact CB-CE1 4.39Å; P36-Y50 HydrophobicContact CG-CD1 3.95Å; P36-Y50 HydrophobicContact CG-CD2 4.48Å; P36-Y50 HydrophobicContact CG-CE1 3.37Å; P36-Y50 HydrophobicContact CG-CE2 3.94Å; P36-Y50 HydrophobicContact CG-CG 4.49Å |
| 37 | P | 90.2 | Very high | 87.5 | Confident | 125 Ų | 125 | 112.1 Ų | 112.1 | 81% | 0.812 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.1 | -169.1 | 25.1 | -35.2 | 0 | 0 | 0 | 114.2 | Y34 | Y34-P37 WeakPolarHBondContact OH-CD 3.31Š|
| 38 | D | 91.9 | Very high | 87.5 | Confident | 89 Ų | 89 | 107.6 Ų | 107.6 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -2.8 | 173.8 | 61.4 | -32.5 | 0 | 0 | 0 | 113.4 | P36 D40 Y50 | P36-D38 WeakPolarHBondContact CB-OD1 3.37Å; P36-D38 WeakPolarHBondContact CG-OD1 3.48Å; P36-D38 PolarHBondContact O-N 3.21Å; P36-D38 VanDerWaalsContact O-N 3.12Å; D38-D40 PolarHBondContact O-N 2.67Å; D38-Y50 PolarHBondContact OD1-OH 3.03Å; D38-Y50 VanDerWaalsContact OD2-CE2 3.27Å; D38-Y50 WeakPolarHBondContact OD2-CE2 3.41Å; D38-Y50 PolarHBondContact OD2-OH 3.27Å |
| 39 | F | 89.6 | Confident | 87.6 | Confident | 26 Ų | 26 | 101 Ų | 101 | 11% | 0.114 | 51% | 0.511 | C | S | . | . | trans | -76.7 | 105.6 | 178.9 | 178.7 | -95.2 | 0 | 0 | 0 | 111.9 | Y35 P36 P41 H44 Y50 | Y35-F39 AromaticContact CD1-CD1 3.53Å; Y35-F39 HydrophobicContact CD1-CD1 3.53Å; Y35-F39 AromaticContact CD1-CE1 3.56Å; Y35-F39 HydrophobicContact CD1-CE1 3.56Å; Y35-F39 HydrophobicContact CD1-CG 4.11Å; Y35-F39 HydrophobicContact CD1-CZ 4.16Å; Y35-F39 HydrophobicContact CE1-CD1 4.28Å; Y35-F39 AromaticContact CE1-CE1 3.84Å; Y35-F39 HydrophobicContact CE1-CE1 3.84Å; Y35-F39 HydrophobicContact CE1-CZ 4.21Å; Y35-F39 HydrophobicContact CG-CD1 4.27Å; P36-F39 HydrophobicContact CG-CB 4.01Å; P36-F39 WeakPolarHBondContact O-CB 3.29Å; P36-F39 PolarHBondContact O-N 3.39Å; F39-P41 HydrophobicContact CD1-CG 4.41Å; F39-P41 HydrophobicContact CE1-CB 4.33Å; F39-P41 HydrophobicContact CE1-CG 3.98Å; F39-H44 HydrophobicContact CD2-CB 3.74Å; F39-H44 AromaticContact CD2-CD2 3.8Å; F39-H44 AromaticContact CD2-CG 4Å; F39-H44 HydrophobicContact CE2-CB 3.4Å; F39-H44 HydrophobicContact CZ-CB 4.25Å; F39-Y50 HydrophobicContact CB-CD2 4.46Å; F39-Y50 AromaticContact CD2-CD2 3.97Å; F39-Y50 HydrophobicContact CD2-CD2 3.97Å; F39-Y50 AromaticContact CD2-CG 3.99Å; F39-Y50 HydrophobicContact CD2-CG 3.99Å | ||
| 40 | D | 89 | Confident | 87.6 | Confident | 84 Ų | 84 | 97.3 Ų | 97.3 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | trans | -92.4 | 120.9 | 165.4 | -71.7 | -27.3 | 0 | 0 | 0 | 112.4 | D38 N42 Y43 H44 | D38-D40 PolarHBondContact O-N 2.67Å; D40-N42 PolarHBondContact O-N 3.48Å; D40-Y43 HydrophobicContact CB-CD2 3.62Å; D40-Y43 HydrophobicContact CB-CG 4.44Å; D40-Y43 PolarHBondContact O-N 3.38Å; D40-H44 PolarHBondContact N-CD2 3.3Å; D40-H44 PolarHBondContact O-CD2 2.89Å; D40-H44 PolarHBondContact O-N 3.4Å | ||
| 41 | P | 89.4 | Confident | 87.6 | Confident | 85 Ų | 85 | 101.4 Ų | 101.4 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.8 | -32.6 | 178.7 | -25.1 | 33.1 | 0 | 0 | 0 | 114.2 | F39 K45 | F39-P41 HydrophobicContact CD1-CG 4.41Å; F39-P41 HydrophobicContact CE1-CB 4.33Å; F39-P41 HydrophobicContact CE1-CG 3.98Å; P41-K45 WeakPolarHBondContact O-CA 3.39Å; P41-K45 PolarHBondContact O-N 2.88Å |
| 42 | N | 89.4 | Confident | 87.4 | Confident | 150 Ų | 150 | 98.7 Ų | 98.7 | 80% | 0.802 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71 | -38.1 | -178.6 | -68.9 | -24.4 | 0 | 0 | 0 | 112.2 | D40 | D40-N42 PolarHBondContact O-N 3.48Å |
| 43 | Y | 87.1 | Confident | 87.2 | Confident | 188 Ų | 188 | 94.9 Ų | 94.9 | 74% | 0.737 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -84.3 | -50.1 | -179.5 | -67.1 | -73.3 | 0 | 0 | 0 | 111.7 | D40 | D40-Y43 HydrophobicContact CB-CD2 3.62Å; D40-Y43 HydrophobicContact CB-CG 4.44Å; D40-Y43 PolarHBondContact O-N 3.38Å |
| 44 | H | 84.8 | Confident | 87.1 | Confident | 54 Ų | 54 | 92.6 Ų | 92.6 | 25% | 0.25 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -85.3 | -21.1 | -173.8 | -59.5 | -63.4 | 0 | 0 | 0 | 113.7 | F39 D40 N46 S49 Y50 | F39-H44 HydrophobicContact CD2-CB 3.74Å; F39-H44 AromaticContact CD2-CD2 3.8Å; F39-H44 AromaticContact CD2-CG 4Å; F39-H44 HydrophobicContact CE2-CB 3.4Å; F39-H44 HydrophobicContact CZ-CB 4.25Å; D40-H44 PolarHBondContact N-CD2 3.3Å; D40-H44 PolarHBondContact O-CD2 2.89Å; D40-H44 PolarHBondContact O-N 3.4Å; H44-N46 PolarHBondContact O-N 3.48Å; H44-S49 WeakPolarHBondContact O-CB 3.26Å; H44-Y50 AromaticContact CD2-CD2 3.79Å; H44-Y50 AromaticContact CE1-CD2 3.74Å; H44-Y50 AromaticContact CG-CD2 3.88Å; H44-Y50 AromaticContact ND1-CD2 3.85Å; H44-Y50 AromaticContact NE2-CD2 3.7Å |
| 45 | K | 87 | Confident | 87 | Confident | 175 Ų | 175 | 87.5 Ų | 87.5 | 76% | 0.761 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 62.7 | -47.2 | -176.4 | -55.6 | 178.3 | -179.8 | 178.7 | 0 | 115.1 | P41 | P41-K45 WeakPolarHBondContact O-CA 3.39Å; P41-K45 PolarHBondContact O-N 2.88Å |
| 46 | N | 85.9 | Confident | 86.8 | Confident | 79 Ų | 79 | 84.7 Ų | 84.7 | 42% | 0.422 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -148.5 | 155.8 | 179.8 | 62.7 | 63.7 | 0 | 0 | 0 | 111.1 | H44 N48 S49 Y50 | H44-N46 PolarHBondContact O-N 3.48Å; N46-N48 PolarHBondContact O-N 3.24Å; N46-N48 WeakPolarHBondContact OD1-CB 3.5Å; N46-N48 PolarHBondContact OD1-N 3.25Å; N46-S49 WeakPolarHBondContact O-CB 3.5Å; N46-S49 PolarHBondContact O-N 3.27Å; N46-S49 VanDerWaalsContact O-N 3.16Å; N46-S49 VanDerWaalsContact OD1-CB 3.3Å; N46-S49 WeakPolarHBondContact OD1-CB 3.45Å; N46-S49 PolarHBondContact OD1-N 2.97Å; N46-Y50 PolarHBondContact O-N 2.65Å; N46-Y50 VanDerWaalsContact O-N 3.16Å |
| 47 | L | 85.2 | Confident | 86.6 | Confident | 38 Ų | 38 | 93.1 Ų | 93.1 | 20% | 0.199 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -61.6 | -30.2 | -179 | -171.4 | 63.5 | 0 | 0 | 0 | 112.5 | Y35 S49 Y50 H51 | Y35-L47 HydrophobicContact CD1-CD1 4.38Å; Y35-L47 HydrophobicContact CE1-CB 4.45Å; L47-S49 PolarHBondContact O-N 3.16Å; L47-Y50 HydrophobicContact CD1-CD1 4.32Å; L47-Y50 WeakPolarHBondContact O-CB 3.37Å; L47-Y50 PolarHBondContact O-N 3.04Å; L47-H51 PolarHBondContact O-CD2 3.1Å; L47-H51 PolarHBondContact O-N 2.95Å; L47-H51 VanDerWaalsContact O-N 3.08Å |
| 48 | N | 84.8 | Confident | 86.5 | Confident | 59 Ų | 59 | 94.4 Ų | 94.4 | 32% | 0.316 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 177.5 | -66.4 | -25.1 | 0 | 0 | 0 | 111.2 | N46 H51 G52 T53 | N46-N48 PolarHBondContact O-N 3.24Å; N46-N48 WeakPolarHBondContact OD1-CB 3.5Å; N46-N48 PolarHBondContact OD1-N 3.25Å; N48-H51 CarbonylContact O-C 3.47Å; N48-H51 PolarHBondContact O-N 3.23Å; N48-G52 PolarHBondContact O-N 2.78Å; N48-T53 CarbonylContact C-O 3.53Å; N48-T53 WeakPolarHBondContact CA-OG1 3.47Å; N48-T53 WeakPolarHBondContact CB-O 3.35Å; N48-T53 PolarHBondContact O-N 3.34Å; N48-T53 PolarHBondContact O-OG1 3.49Å; N48-T53 VanDerWaalsContact O-OG1 3.09Å |
| 49 | S | 84.7 | Confident | 86.4 | Confident | 70 Ų | 70 | 97.6 Ų | 97.6 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.7 | -36.6 | 177.7 | -168.2 | 0 | 0 | 0 | 0 | 111.5 | H44 N46 L47 H51 G52 | H44-S49 WeakPolarHBondContact O-CB 3.26Å; N46-S49 WeakPolarHBondContact O-CB 3.5Å; N46-S49 PolarHBondContact O-N 3.27Å; N46-S49 VanDerWaalsContact O-N 3.16Å; N46-S49 VanDerWaalsContact OD1-CB 3.3Å; N46-S49 WeakPolarHBondContact OD1-CB 3.45Å; N46-S49 PolarHBondContact OD1-N 2.97Å; L47-S49 PolarHBondContact O-N 3.16Å; S49-H51 VanDerWaalsContact C-N 3.32Å; S49-H51 PolarHBondContact O-N 3.23Å; S49-G52 PolarHBondContact O-N 3.45Å; S49-G52 VanDerWaalsContact O-N 3.14Å |
| 50 | Y | 85.9 | Confident | 86.4 | Confident | 63 Ų | 63 | 96.7 Ų | 96.7 | 25% | 0.247 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -58 | -45.3 | 171.3 | 174.4 | -89.5 | 0 | 0 | 0 | 111.3 | P36 D38 F39 H44 N46 L47 G52 | P36-Y50 HydrophobicContact CB-CE1 4.39Å; P36-Y50 HydrophobicContact CG-CD1 3.95Å; P36-Y50 HydrophobicContact CG-CD2 4.48Å; P36-Y50 HydrophobicContact CG-CE1 3.37Å; P36-Y50 HydrophobicContact CG-CE2 3.94Å; P36-Y50 HydrophobicContact CG-CG 4.49Å; D38-Y50 PolarHBondContact OD1-OH 3.03Å; D38-Y50 VanDerWaalsContact OD2-CE2 3.27Å; D38-Y50 WeakPolarHBondContact OD2-CE2 3.41Å; D38-Y50 PolarHBondContact OD2-OH 3.27Å; F39-Y50 HydrophobicContact CB-CD2 4.46Å; F39-Y50 AromaticContact CD2-CD2 3.97Å; F39-Y50 HydrophobicContact CD2-CD2 3.97Å; F39-Y50 AromaticContact CD2-CG 3.99Å; F39-Y50 HydrophobicContact CD2-CG 3.99Å; H44-Y50 AromaticContact CD2-CD2 3.79Å; H44-Y50 AromaticContact CE1-CD2 3.74Å; H44-Y50 AromaticContact CG-CD2 3.88Å; H44-Y50 AromaticContact ND1-CD2 3.85Å; H44-Y50 AromaticContact NE2-CD2 3.7Å; N46-Y50 PolarHBondContact O-N 2.65Å; N46-Y50 VanDerWaalsContact O-N 3.16Å; L47-Y50 HydrophobicContact CD1-CD1 4.32Å; L47-Y50 WeakPolarHBondContact O-CB 3.37Å; L47-Y50 PolarHBondContact O-N 3.04Å; Y50-G52 VanDerWaalsContact C-N 3.28Å; Y50-G52 PolarHBondContact O-N 3.09Å |
| 51 | H | 85 | Confident | 86.4 | Confident | 112 Ų | 112 | 101.8 Ų | 101.8 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 1.9 | 176.6 | -64.8 | -60.2 | 0 | 0 | 0 | 114.8 | L47 N48 S49 T53 | L47-H51 PolarHBondContact O-CD2 3.1Å; L47-H51 PolarHBondContact O-N 2.95Å; L47-H51 VanDerWaalsContact O-N 3.08Å; N48-H51 CarbonylContact O-C 3.47Å; N48-H51 PolarHBondContact O-N 3.23Å; S49-H51 VanDerWaalsContact C-N 3.32Å; S49-H51 PolarHBondContact O-N 3.23Å; H51-T53 HydrophobicContact CB-CG2 4.11Å; H51-T53 PolarHBondContact O-N 2.95Å |
| 52 | G | 83.3 | Confident | 86.4 | Confident | 72 Ų | 72 | 100.8 Ų | 100.8 | 74% | 0.742 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 21.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N48 S49 Y50 | N48-G52 PolarHBondContact O-N 2.78Å; S49-G52 PolarHBondContact O-N 3.45Å; S49-G52 VanDerWaalsContact O-N 3.14Å; Y50-G52 VanDerWaalsContact C-N 3.28Å; Y50-G52 PolarHBondContact O-N 3.09Å |
| 53 | T | 84.1 | Confident | 86.3 | Confident | 64 Ų | 64 | 95.3 Ų | 95.3 | 39% | 0.393 | 47% | 0.468 | S | S | . | . | trans | -98.9 | 139.3 | -179.1 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | N48 H51 | N48-T53 CarbonylContact C-O 3.53Å; N48-T53 WeakPolarHBondContact CA-OG1 3.47Å; N48-T53 WeakPolarHBondContact CB-O 3.35Å; N48-T53 PolarHBondContact O-N 3.34Å; N48-T53 PolarHBondContact O-OG1 3.49Å; N48-T53 VanDerWaalsContact O-OG1 3.09Å; H51-T53 HydrophobicContact CB-CG2 4.11Å; H51-T53 PolarHBondContact O-N 2.95Å | ||
| 54 | H | 83.3 | Confident | 86.4 | Confident | 89 Ų | 89 | 90.6 Ų | 90.6 | 41% | 0.412 | 48% | 0.477 | S | S | . | . | trans | -76 | 141.6 | 171.9 | -171.6 | -93.2 | 0 | 0 | 0 | 110.5 | L56 R57 | H54-L56 WeakPolarHBondContact ND1-CB 3.35Å; H54-L56 PolarHBondContact ND1-N 3.08Å; H54-L56 PolarHBondContact O-N 3.19Å; H54-L56 VanDerWaalsContact O-N 3.17Å; H54-R57 WeakPolarHBondContact O-CA 3.48Å; H54-R57 PolarHBondContact O-N 3.39Å | ||
| 55 | A | 85.9 | Confident | 86.6 | Confident | 74 Ų | 74 | 94.3 Ų | 94.3 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -35.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 56 | L | 86.4 | Confident | 86.8 | Confident | 66 Ų | 66 | 88.2 Ų | 88.2 | 35% | 0.346 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -0.2 | 175.6 | -58.9 | 175 | 0 | 0 | 0 | 113.9 | H54 Q58 R59 I68 | H54-L56 WeakPolarHBondContact ND1-CB 3.35Å; H54-L56 PolarHBondContact ND1-N 3.08Å; H54-L56 PolarHBondContact O-N 3.19Å; H54-L56 VanDerWaalsContact O-N 3.17Å; L56-Q58 PolarHBondContact O-N 2.87Å; L56-R59 HydrophobicContact CB-CB 4.16Å; L56-R59 WeakPolarHBondContact O-CB 3.18Å; L56-R59 PolarHBondContact O-N 2.97Å; L56-I68 HydrophobicContact CD1-CD1 4.05Å; L56-I68 HydrophobicContact CD1-CG1 4.29Å; L56-I68 HydrophobicContact CD1-CG2 3.89Å |
| 57 | R | 86.3 | Confident | 87.2 | Confident | 194 Ų | 194 | 85.5 Ų | 85.5 | 73% | 0.732 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | 45.8 | -127 | -176.5 | -57.5 | -179.1 | -176.5 | 135 | -0.3 | 111 | H54 R59 G60 | H54-R57 WeakPolarHBondContact O-CA 3.48Å; H54-R57 PolarHBondContact O-N 3.39Å; R57-R59 PolarHBondContact O-N 3.1Å; R57-R59 VanDerWaalsContact O-N 3.17Å; R57-G60 PolarHBondContact O-N 3.21Å |
| 58 | Q | 86.6 | Confident | 87.7 | Confident | 151 Ų | 151 | 86.8 Ų | 86.8 | 71% | 0.706 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -54.1 | -33 | 178.4 | -71.4 | -70.4 | -1.5 | 0 | 0 | 114 | L56 G60 R61 | L56-Q58 PolarHBondContact O-N 2.87Å; Q58-G60 PolarHBondContact O-N 2.94Å; Q58-R61 WeakPolarHBondContact O-CB 2.87Å; Q58-R61 PolarHBondContact O-N 2.98Å |
| 59 | R | 90.8 | Very high | 88.2 | Confident | 157 Ų | 157 | 85.9 Ų | 85.9 | 59% | 0.592 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -68.8 | -22.5 | 178.2 | -69.9 | -176.4 | -83 | -130.3 | 0.7 | 113.3 | L56 R57 T69 | L56-R59 HydrophobicContact CB-CB 4.16Å; L56-R59 WeakPolarHBondContact O-CB 3.18Å; L56-R59 PolarHBondContact O-N 2.97Å; R57-R59 PolarHBondContact O-N 3.1Å; R57-R59 VanDerWaalsContact O-N 3.17Å; R59-T69 WeakPolarHBondContact CD-O 3.36Å; R59-T69 WeakPolarHBondContact CG-O 3.48Å; R59-T69 PolarHBondContact O-N 3.5Å |
| 60 | G | 88.6 | Confident | 88.7 | Confident | 6 Ų | 6 | 84.9 Ų | 84.9 | 6% | 0.062 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -99.6 | 12.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | R57 Q58 K62 A63 | R57-G60 PolarHBondContact O-N 3.21Å; Q58-G60 PolarHBondContact O-N 2.94Å; G60-K62 PolarHBondContact O-N 3.3Å; G60-K62 VanDerWaalsContact O-N 3.14Å; G60-A63 WeakPolarHBondContact O-CB 3.49Å; G60-A63 PolarHBondContact O-N 2.94Å |
| 61 | R | 88.8 | Confident | 89.2 | Confident | 192 Ų | 192 | 90.7 Ų | 90.7 | 73% | 0.725 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -35.4 | -178.2 | -173.9 | 178.5 | 67.6 | 170.7 | -0.2 | 112.7 | Q58 | Q58-R61 WeakPolarHBondContact O-CB 2.87Å; Q58-R61 PolarHBondContact O-N 2.98Å |
| 62 | K | 89.9 | Confident | 89.7 | Confident | 64 Ų | 64 | 86.2 Ų | 86.2 | 28% | 0.278 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 19.9 | 177.3 | -62.5 | -179.8 | 174.8 | 176.1 | 0 | 113.3 | G60 G64 Q65 I67 E96 | G60-K62 PolarHBondContact O-N 3.3Å; G60-K62 VanDerWaalsContact O-N 3.14Å; K62-G64 PolarHBondContact O-N 3.19Å; K62-Q65 WeakPolarHBondContact O-CB 3.42Å; K62-Q65 PolarHBondContact O-N 3.41Å; K62-I67 CarbonylContact C-O 3.57Å; K62-I67 HydrophobicContact CB-CB 3.92Å; K62-I67 HydrophobicContact CB-CG2 4.35Å; K62-I67 HydrophobicContact CD-CD1 4.49Å; K62-I67 HydrophobicContact CD-CG2 4.32Å; K62-I67 PolarHBondContact O-N 2.98Å; K62-E96 VanDerWaalsContact NZ-CD 3.31Å; K62-E96 IonicContact NZ-OE1 3.13Å; K62-E96 PolarHBondContact NZ-OE1 2.89Å; K62-E96 IonicContact NZ-OE2 3.33Å; K62-E96 PolarHBondContact NZ-OE2 3.13Å; K62-E96 VanDerWaalsContact NZ-OE2 3.13Å |
| 63 | A | 88.1 | Confident | 90.3 | Very high | 35 Ų | 35 | 87.3 Ų | 87.3 | 29% | 0.289 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -59.5 | -32 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G60 Q65 G66 I67 | G60-A63 WeakPolarHBondContact O-CB 3.49Å; G60-A63 PolarHBondContact O-N 2.94Å; A63-Q65 PolarHBondContact O-N 3.36Å; A63-G66 PolarHBondContact O-N 3.22Å; A63-I67 PolarHBondContact N-O 3.01Å |
| 64 | G | 87.8 | Confident | 90.9 | Very high | 89 Ų | 89 | 84.3 Ų | 84.3 | 92% | 0.918 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -62.5 | -23.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K62 G66 | K62-G64 PolarHBondContact O-N 3.19Å; G64-G66 VanDerWaalsContact C-N 3.32Å |
| 65 | Q | 90.5 | Very high | 91.4 | Very high | 131 Ų | 131 | 82.1 Ų | 82.1 | 61% | 0.612 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -90.6 | 3.3 | 174.3 | -61.5 | 170.8 | -6.5 | 0 | 0 | 112.2 | K62 A63 I67 | K62-Q65 WeakPolarHBondContact O-CB 3.42Å; K62-Q65 PolarHBondContact O-N 3.41Å; A63-Q65 PolarHBondContact O-N 3.36Å; Q65-I67 HydrophobicContact CB-CD1 4.13Å; Q65-I67 HydrophobicContact CB-CG1 4.23Å; Q65-I67 PolarHBondContact O-N 3.45Å |
| 66 | G | 90.9 | Very high | 91.8 | Very high | 47 Ų | 47 | 79.5 Ų | 79.5 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 16.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114 | A63 G64 | A63-G66 PolarHBondContact O-N 3.22Å; G64-G66 VanDerWaalsContact C-N 3.32Å |
| 67 | I | 94.9 | Very high | 92.2 | Very high | 23 Ų | 23 | 78.7 Ų | 78.7 | 12% | 0.118 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 125.5 | -178.3 | -58.5 | 170.8 | 0 | 0 | 0 | 109.6 | K62 A63 Q65 E96 K97 K98 | K62-I67 CarbonylContact C-O 3.57Å; K62-I67 HydrophobicContact CB-CB 3.92Å; K62-I67 HydrophobicContact CB-CG2 4.35Å; K62-I67 HydrophobicContact CD-CD1 4.49Å; K62-I67 HydrophobicContact CD-CG2 4.32Å; K62-I67 PolarHBondContact O-N 2.98Å; A63-I67 PolarHBondContact N-O 3.01Å; Q65-I67 HydrophobicContact CB-CD1 4.13Å; Q65-I67 HydrophobicContact CB-CG1 4.23Å; Q65-I67 PolarHBondContact O-N 3.45Å; I67-E96 HydrophobicContact CG2-CB 3.64Å; I67-E96 HydrophobicContact CG2-CG 4.03Å; I67-K97 WeakPolarHBondContact CA-O 3.5Å; I67-K98 HydrophobicContact CG1-CB 4.37Å; I67-K98 HydrophobicContact CG1-CG 4.4Å |
| 68 | I | 95 | Very high | 92.7 | Very high | 65 Ų | 65 | 69.5 Ų | 69.5 | 33% | 0.333 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.3 | 176.6 | -61.2 | 172.6 | 0 | 0 | 0 | 109 | L56 I70 K97 | L56-I68 HydrophobicContact CD1-CD1 4.05Å; L56-I68 HydrophobicContact CD1-CG1 4.29Å; L56-I68 HydrophobicContact CD1-CG2 3.89Å; I68-I70 HydrophobicContact CG2-CG2 4.11Å; I68-I70 PolarHBondContact O-N 2.94Å; I68-K97 PolarHBondContact N-O 2.92Å; I68-K97 VanDerWaalsContact N-O 3.08Å; I68-K97 PolarHBondContact O-N 3.35Å |
| 69 | T | 95.9 | Very high | 93.1 | Very high | 40 Ų | 40 | 66 Ų | 66 | 25% | 0.245 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 118.1 | 172.8 | -49.3 | 0 | 0 | 0 | 0 | 110.1 | R59 N94 A95 | R59-T69 WeakPolarHBondContact CD-O 3.36Å; R59-T69 WeakPolarHBondContact CG-O 3.48Å; R59-T69 PolarHBondContact O-N 3.5Å; T69-N94 HydrophobicContact CG2-CB 4.12Å; T69-A95 CarbonylContact C-O 3.52Å; T69-A95 WeakPolarHBondContact CA-O 3.28Å |
| 70 | I | 95.5 | Very high | 93.3 | Very high | 49 Ų | 49 | 58.6 Ų | 58.6 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 158.4 | 177.9 | 63.7 | 159.8 | 0 | 0 | 0 | 110.8 | I68 F72 N94 A95 K97 F111 | I68-I70 HydrophobicContact CG2-CG2 4.11Å; I68-I70 PolarHBondContact O-N 2.94Å; I70-F72 HydrophobicContact CD1-CB 4.28Å; I70-F72 HydrophobicContact CD1-CD2 4.18Å; I70-F72 HydrophobicContact CG1-CB 4.46Å; I70-N94 CarbonylContact O-C 3.52Å; I70-N94 WeakPolarHBondContact O-CA 3.16Å; I70-A95 HydrophobicContact CG1-CB 4.37Å; I70-A95 PolarHBondContact N-O 3.41Å; I70-A95 PolarHBondContact O-N 2.9Å; I70-K97 HydrophobicContact CD1-CB 4.07Å; I70-K97 HydrophobicContact CD1-CD 4.23Å; I70-K97 HydrophobicContact CG1-CB 4.06Å; I70-K97 HydrophobicContact CG2-CB 4.27Å; I70-K97 HydrophobicContact CG2-CD 4.39Å; I70-F111 HydrophobicContact CD1-CD1 3.78Å; I70-F111 HydrophobicContact CD1-CE1 3.49Å; I70-F111 VanDerWaalsContact CD1-CE1 3.49Å |
| 71 | R | 95.5 | Very high | 93.7 | Very high | 185 Ų | 185 | 63 Ų | 63 | 70% | 0.698 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 109.7 | 168.8 | -164.9 | 170.8 | -170.2 | 162 | 2.1 | 108.1 | Y93 | R71-Y93 CarbonylContact C-O 3.6Å; R71-Y93 WeakPolarHBondContact CA-O 3.4Å |
| 72 | F | 96 | Very high | 93.9 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 142 | -175.8 | -171.5 | -103.9 | 0 | 0 | 0 | 110 | I70 R92 Y93 A95 F111 M113 M124 Y133 | I70-F72 HydrophobicContact CD1-CB 4.28Å; I70-F72 HydrophobicContact CD1-CD2 4.18Å; I70-F72 HydrophobicContact CG1-CB 4.46Å; F72-R92 CarbonylContact O-C 3.52Å; F72-R92 WeakPolarHBondContact O-CA 3.27Å; F72-Y93 PolarHBondContact N-O 3.21Å; F72-Y93 PolarHBondContact O-N 3.02Å; F72-A95 HydrophobicContact CB-CB 3.63Å; F72-A95 HydrophobicContact CG-CB 4.36Å; F72-F111 HydrophobicContact CD2-CD1 4.11Å; F72-F111 HydrophobicContact CD2-CE1 4.2Å; F72-F111 HydrophobicContact CD2-CG 4.3Å; F72-F111 HydrophobicContact CD2-CZ 4.48Å; F72-F111 HydrophobicContact CE2-CD1 4.3Å; F72-F111 HydrophobicContact CE2-CD2 4.01Å; F72-F111 HydrophobicContact CE2-CE1 4.28Å; F72-F111 AromaticContact CE2-CE2 3.98Å; F72-F111 HydrophobicContact CE2-CE2 3.98Å; F72-F111 HydrophobicContact CE2-CG 4.17Å; F72-F111 HydrophobicContact CE2-CZ 4.11Å; F72-F111 HydrophobicContact CZ-CD2 4.09Å; F72-F111 HydrophobicContact CZ-CE2 4.38Å; F72-F111 HydrophobicContact CZ-CG 4.38Å; F72-M113 HydrophobicContact CD1-CE 4.43Å; F72-M113 HydrophobicContact CD1-SD 4.08Å; F72-M113 HydrophobicContact CE1-CE 4.38Å; F72-M124 HydrophobicContact CE1-SD 4.36Å; F72-Y133 HydrophobicContact CE2-CE1 4.05Å; F72-Y133 HydrophobicContact CZ-CD1 4.23Å; F72-Y133 AromaticContact CZ-CE1 3.86Å; F72-Y133 HydrophobicContact CZ-CE1 3.86Å |
| 73 | E | 96.4 | Very high | 94.2 | Very high | 94 Ų | 94 | 57 Ų | 57 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138.3 | 176.7 | -72.5 | -176.7 | 172.3 | 0 | 0 | 109.6 | P75 V91 R92 | E73-P75 WeakPolarHBondContact O-CD 3.41Å; E73-V91 WeakPolarHBondContact CA-O 3.41Å; E73-R92 HydrophobicContact CG-CG 3.66Å; E73-R92 IonicContact OE1-CZ 2.67Å; E73-R92 IonicContact OE1-NE 3.84Å; E73-R92 PolarHBondContact OE1-NE 3.48Å; E73-R92 IonicContact OE1-NH2 3.91Å; E73-R92 PolarHBondContact OE1-NH2 3.34Å |
| 74 | M | 95 | Very high | 94.4 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | trans | -64 | 120.7 | 178.2 | -80.6 | -68.8 | -161.4 | 0 | 0 | 111.4 | F76 I87 G90 V91 Y93 M113 I122 M124 | M74-F76 PolarHBondContact O-N 3.41Å; M74-I87 HydrophobicContact CE-CD1 3.98Å; M74-I87 HydrophobicContact CE-CG2 4.08Å; M74-I87 HydrophobicContact CG-CG2 3.8Å; M74-G90 PolarHBondContact O-N 3.35Å; M74-V91 HydrophobicContact CG-CB 4.35Å; M74-V91 PolarHBondContact N-O 3.42Å; M74-Y93 HydrophobicContact CE-CD2 4.15Å; M74-Y93 HydrophobicContact CE-CE2 3.61Å; M74-Y93 HydrophobicContact CG-CD2 3.96Å; M74-Y93 HydrophobicContact CG-CE2 3.61Å; M74-Y93 HydrophobicContact SD-CE2 4.37Å; M74-M113 HydrophobicContact CE-CE 3.23Å; M74-M113 HydrophobicContact CE-SD 3.69Å; M74-M113 HydrophobicContact SD-CE 3.43Å; M74-M113 WeakPolarHBondContact SD-CE 3.42Å; M74-M113 HydrophobicContact SD-SD 4.09Å; M74-I122 HydrophobicContact CE-CD1 3.78Å; M74-I122 HydrophobicContact CE-CG2 4.4Å; M74-M124 HydrophobicContact CE-CE 4Å; M74-M124 HydrophobicContact SD-CE 3.39Å; M74-M124 WeakPolarHBondContact SD-CE 3.29Å; M74-M124 HydrophobicContact SD-SD 4.15Å | ||
| 75 | P | 95.3 | Very high | 94.7 | Very high | 43 Ų | 43 | 62.1 Ų | 62.1 | 28% | 0.279 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -75.7 | -20.7 | -172.7 | 27.9 | -34.5 | 0 | 0 | 0 | 114.2 | E73 M124 Y133 | E73-P75 WeakPolarHBondContact O-CD 3.41Å; P75-M124 HydrophobicContact CG-SD 4.35Å; P75-Y133 HydrophobicContact CB-CD2 3.75Å; P75-Y133 HydrophobicContact CB-CE2 4.2Å; P75-Y133 HydrophobicContact CB-CG 4.47Å; P75-Y133 HydrophobicContact CG-CD2 3.79Å; P75-Y133 HydrophobicContact CG-CE2 4.5Å; P75-Y133 HydrophobicContact CG-CG 4Å |
| 76 | F | 93.9 | Very high | 94.9 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 8% | 0.083 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -154.1 | 164 | 179.5 | 50.7 | -100.6 | 0 | 0 | 0 | 110.6 | M74 C78 Y133 I135 R141 | M74-F76 PolarHBondContact O-N 3.41Å; F76-C78 HydrophobicContact CD2-CB 4.38Å; F76-C78 HydrophobicContact CE2-CB 4.29Å; F76-C78 PolarHBondContact O-N 3.35Å; F76-Y133 WeakPolarHBondContact CE1-O 3.4Å; F76-I135 HydrophobicContact CE2-CD1 3.5Å; F76-I135 HydrophobicContact CE2-CG1 4.15Å; F76-I135 HydrophobicContact CZ-CD1 3.74Å; F76-I135 HydrophobicContact CZ-CG1 3.87Å; F76-R141 HydrophobicContact CD2-CB 4.23Å; F76-R141 HydrophobicContact CD2-CG 3.64Å; F76-R141 VanDerWaalsContact CE1-NH1 3.31Å; F76-R141 HydrophobicContact CE2-CB 3.78Å; F76-R141 HydrophobicContact CE2-CG 3.65Å; F76-R141 HydrophobicContact CG-CG 4.43Å; F76-R141 HydrophobicContact CZ-CG 4.47Å |
| 77 | N | 95.4 | Very high | 95.1 | Very high | 49 Ų | 49 | 57.3 Ų | 57.3 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | trans | -65 | 128.1 | 175.9 | -62.3 | -39.9 | 0 | 0 | 0 | 110.5 | I87 M89 K142 | N77-I87 WeakPolarHBondContact CA-O 3.44Å; N77-M89 PolarHBondContact OD1-N 2.97Å; N77-K142 HydrophobicContact CB-CB 3.92Å; N77-K142 HydrophobicContact CB-CD 4.09Å; N77-K142 VanDerWaalsContact O-CB 3.29Å; N77-K142 WeakPolarHBondContact O-CB 3.44Å; N77-K142 PolarHBondContact O-N 3.44Å | ||
| 78 | C | 95.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 163.4 | 178.7 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | F76 I87 I135 A139 R140 | F76-C78 HydrophobicContact CD2-CB 4.38Å; F76-C78 HydrophobicContact CE2-CB 4.29Å; F76-C78 PolarHBondContact O-N 3.35Å; C78-I87 PolarHBondContact N-O 3.43Å; C78-I87 PolarHBondContact O-N 3.23Å; C78-I135 HydrophobicContact CB-CD1 4.24Å; C78-A139 HydrophobicContact CB-CB 4.31Å; C78-R140 CarbonylContact C-O 3.57Å; C78-R140 VanDerWaalsContact CA-O 3.25Å; C78-R140 WeakPolarHBondContact CA-O 2.84Å; C78-R140 VanDerWaalsContact CB-O 3.3Å; C78-R140 WeakPolarHBondContact CB-O 3.36Å |
| 79 | W | 95.4 | Very high | 95.1 | Very high | 77 Ų | 77 | 61 Ų | 61 | 29% | 0.292 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 131 | 173 | -64.9 | 90.7 | 0 | 0 | 0 | 108.7 | K84 P86 A139 R140 | W79-K84 VanDerWaalsContact CE3-O 3.23Å; W79-K84 WeakPolarHBondContact CZ3-O 3.28Å; W79-P86 HydrophobicContact CD2-CB 4.3Å; W79-P86 HydrophobicContact CE3-CB 3.97Å; W79-P86 HydrophobicContact CH2-CB 4.16Å; W79-P86 HydrophobicContact CH2-CG 4.37Å; W79-P86 HydrophobicContact CZ2-CB 4.47Å; W79-P86 HydrophobicContact CZ3-CB 3.91Å; W79-P86 HydrophobicContact CZ3-CG 4.07Å; W79-A139 CarbonylContact O-C 3.59Å; W79-A139 WeakPolarHBondContact O-CA 3.47Å; W79-A139 WeakPolarHBondContact O-CB 3.45Å; W79-R140 HydrophobicContact CB-CG 3.71Å; W79-R140 HydrophobicContact CG-CG 4.4Å; W79-R140 PolarHBondContact N-O 3.33Å; W79-R140 PolarHBondContact O-N 2.88Å |
| 80 | C | 96.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 134 | 172.2 | -178 | 0 | 0 | 0 | 0 | 110 | K84 N85 I87 | C80-K84 WeakPolarHBondContact O-CA 3.33Å; C80-K84 PolarHBondContact O-N 2.86Å; C80-N85 PolarHBondContact N-O 3.28Å; C80-N85 VanDerWaalsContact N-O 3.09Å; C80-I87 HydrophobicContact CB-CD1 4.32Å |
| 81 | L | 95.2 | Very high | 95.1 | Very high | 98 Ų | 98 | 60.6 Ų | 60.6 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -31.6 | 179.9 | -65.9 | 175 | 0 | 0 | 0 | 112.4 | G138 R140 | L81-G138 PolarHBondContact N-O 2.91Å; L81-R140 HydrophobicContact CD2-CB 4.32Å; L81-R140 HydrophobicContact CD2-CG 4.27Å |
| 82 | T | 94.5 | Very high | 95.1 | Very high | 94 Ų | 94 | 59 Ų | 59 | 58% | 0.577 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -53.2 | -176.8 | -48 | 0 | 0 | 0 | 0 | 112.6 | ||
| 83 | C | 94.6 | Very high | 95.1 | Very high | 35 Ų | 35 | 58.8 Ų | 58.8 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -5.9 | -177.1 | 61.7 | 0 | 0 | 0 | 0 | 114.4 | N85 C118 | C83-N85 PolarHBondContact O-N 2.97Å; C83-C118 HydrophobicContact CB-CB 3.91Å; C83-C118 VanDerWaalsContact SG-SG 3.6Å |
| 84 | K | 93.3 | Very high | 95 | Very high | 165 Ų | 165 | 59.9 Ų | 59.9 | 72% | 0.717 | 32% | 0.32 | S | S | * | . | trans | 57.8 | 15.2 | -177.3 | -56.5 | 178.9 | -177.6 | 178.3 | 0 | 114.9 | W79 C80 | W79-K84 VanDerWaalsContact CE3-O 3.23Å; W79-K84 WeakPolarHBondContact CZ3-O 3.28Å; C80-K84 WeakPolarHBondContact O-CA 3.33Å; C80-K84 PolarHBondContact O-N 2.86Å | ||
| 85 | N | 94.2 | Very high | 95.1 | Very high | 68 Ų | 68 | 59.8 Ų | 59.8 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | trans | -87.3 | 145.7 | 176 | -69.3 | -35.2 | 0 | 0 | 0 | 111.4 | C80 C83 L117 | C80-N85 PolarHBondContact N-O 3.28Å; C80-N85 VanDerWaalsContact N-O 3.09Å; C83-N85 PolarHBondContact O-N 2.97Å; N85-L117 HydrophobicContact CB-CD1 3.37Å; N85-L117 WeakPolarHBondContact ND2-CD1 3.45Å | ||
| 86 | P | 94.6 | Very high | 95.1 | Very high | 73 Ų | 73 | 60.5 Ų | 60.5 | 47% | 0.474 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 143.9 | 178 | 31.7 | -33.4 | 0 | 0 | 0 | 110.7 | W79 | W79-P86 HydrophobicContact CD2-CB 4.3Å; W79-P86 HydrophobicContact CE3-CB 3.97Å; W79-P86 HydrophobicContact CH2-CB 4.16Å; W79-P86 HydrophobicContact CH2-CG 4.37Å; W79-P86 HydrophobicContact CZ2-CB 4.47Å; W79-P86 HydrophobicContact CZ3-CB 3.91Å; W79-P86 HydrophobicContact CZ3-CG 4.07Å |
| 87 | I | 95.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.015 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.1 | 170.9 | -54.9 | 170 | 0 | 0 | 0 | 106.8 | M74 N77 C78 C80 V91 Y93 I122 | M74-I87 HydrophobicContact CE-CD1 3.98Å; M74-I87 HydrophobicContact CE-CG2 4.08Å; M74-I87 HydrophobicContact CG-CG2 3.8Å; N77-I87 WeakPolarHBondContact CA-O 3.44Å; C78-I87 PolarHBondContact N-O 3.43Å; C78-I87 PolarHBondContact O-N 3.23Å; C80-I87 HydrophobicContact CB-CD1 4.32Å; I87-V91 HydrophobicContact CG2-CB 3.9Å; I87-V91 HydrophobicContact CG2-CG1 4.21Å; I87-V91 HydrophobicContact CG2-CG2 3.99Å; I87-Y93 HydrophobicContact CG2-CE2 4.18Å; I87-I122 HydrophobicContact CD1-CD1 3.34Å |
| 88 | G | 94.7 | Very high | 95.3 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 32% | 0.32 | 34% | 0.335 | S | S | . | . | trans | -71.8 | 154.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V91 | G88-V91 VanDerWaalsContact O-CG2 3.23Å; G88-V91 WeakPolarHBondContact O-CG2 3.5Å; G88-V91 PolarHBondContact O-N 3.17Å | ||
| 89 | M | 95.4 | Very high | 95.4 | Very high | 135 Ų | 135 | 70.2 Ų | 70.2 | 67% | 0.665 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 138.2 | 165.2 | -175.6 | 178.9 | 71.5 | 0 | 0 | 110.2 | N77 | N77-M89 PolarHBondContact OD1-N 2.97Š|
| 90 | G | 95.4 | Very high | 95.4 | Very high | 35 Ų | 35 | 70 Ų | 70 | 36% | 0.361 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -0.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | M74 R92 | M74-G90 PolarHBondContact O-N 3.35Å; G90-R92 PolarHBondContact O-N 3.28Å |
| 91 | V | 95 | Very high | 95.3 | Very high | 45 Ų | 45 | 71.2 Ų | 71.2 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | trans | -63.2 | 129.4 | 172.9 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | E73 M74 I87 G88 Y93 | E73-V91 WeakPolarHBondContact CA-O 3.41Å; M74-V91 HydrophobicContact CG-CB 4.35Å; M74-V91 PolarHBondContact N-O 3.42Å; I87-V91 HydrophobicContact CG2-CB 3.9Å; I87-V91 HydrophobicContact CG2-CG1 4.21Å; I87-V91 HydrophobicContact CG2-CG2 3.99Å; G88-V91 VanDerWaalsContact O-CG2 3.23Å; G88-V91 WeakPolarHBondContact O-CG2 3.5Å; G88-V91 PolarHBondContact O-N 3.17Å; V91-Y93 HydrophobicContact CB-CE2 4.08Å; V91-Y93 HydrophobicContact CG1-CD2 4.26Å; V91-Y93 HydrophobicContact CG1-CE2 3.5Å | ||
| 92 | R | 96.1 | Very high | 95.4 | Very high | 151 Ų | 151 | 71.3 Ų | 71.3 | 57% | 0.57 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130.6 | -172.7 | -73.6 | 169 | 175.8 | 144.3 | 6.1 | 111.9 | F72 E73 G90 | F72-R92 CarbonylContact O-C 3.52Å; F72-R92 WeakPolarHBondContact O-CA 3.27Å; E73-R92 HydrophobicContact CG-CG 3.66Å; E73-R92 IonicContact OE1-CZ 2.67Å; E73-R92 IonicContact OE1-NE 3.84Å; E73-R92 PolarHBondContact OE1-NE 3.48Å; E73-R92 IonicContact OE1-NH2 3.91Å; E73-R92 PolarHBondContact OE1-NH2 3.34Å; G90-R92 PolarHBondContact O-N 3.28Å |
| 93 | Y | 96 | Very high | 95.4 | Very high | 14 Ų | 14 | 70.8 Ų | 70.8 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.6 | 177.2 | -69.4 | -77.8 | 0 | 0 | 0 | 112.2 | R71 F72 M74 I87 V91 A95 M113 P114 H116 | R71-Y93 CarbonylContact C-O 3.6Å; R71-Y93 WeakPolarHBondContact CA-O 3.4Å; F72-Y93 PolarHBondContact N-O 3.21Å; F72-Y93 PolarHBondContact O-N 3.02Å; M74-Y93 HydrophobicContact CE-CD2 4.15Å; M74-Y93 HydrophobicContact CE-CE2 3.61Å; M74-Y93 HydrophobicContact CG-CD2 3.96Å; M74-Y93 HydrophobicContact CG-CE2 3.61Å; M74-Y93 HydrophobicContact SD-CE2 4.37Å; I87-Y93 HydrophobicContact CG2-CE2 4.18Å; V91-Y93 HydrophobicContact CB-CE2 4.08Å; V91-Y93 HydrophobicContact CG1-CD2 4.26Å; V91-Y93 HydrophobicContact CG1-CE2 3.5Å; Y93-A95 PolarHBondContact O-N 3.04Å; Y93-M113 HydrophobicContact CD1-CB 4.47Å; Y93-M113 HydrophobicContact CD2-SD 3.64Å; Y93-M113 HydrophobicContact CE2-SD 4.33Å; Y93-M113 HydrophobicContact CG-CB 4.17Å; Y93-M113 HydrophobicContact CG-CG 4.38Å; Y93-M113 HydrophobicContact CG-SD 3.88Å; Y93-P114 WeakPolarHBondContact CD1-O 3.35Å; Y93-P114 WeakPolarHBondContact CE1-O 3.21Å; Y93-H116 HydrophobicContact CE1-CB 4.11Å; Y93-H116 PolarHBondContact OH-ND1 3.18Å |
| 94 | N | 95.2 | Very high | 95.5 | Very high | 118 Ų | 118 | 76.6 Ų | 76.6 | 63% | 0.631 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 89.8 | 162.4 | -67.1 | -35.3 | 0 | 0 | 0 | 107.4 | T69 I70 | T69-N94 HydrophobicContact CG2-CB 4.12Å; I70-N94 CarbonylContact O-C 3.52Å; I70-N94 WeakPolarHBondContact O-CA 3.16Å |
| 95 | A | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 144.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T69 I70 F72 Y93 F111 S112 M113 | T69-A95 CarbonylContact C-O 3.52Å; T69-A95 WeakPolarHBondContact CA-O 3.28Å; I70-A95 HydrophobicContact CG1-CB 4.37Å; I70-A95 PolarHBondContact N-O 3.41Å; I70-A95 PolarHBondContact O-N 2.9Å; F72-A95 HydrophobicContact CB-CB 3.63Å; F72-A95 HydrophobicContact CG-CB 4.36Å; Y93-A95 PolarHBondContact O-N 3.04Å; A95-F111 HydrophobicContact CB-CB 4.46Å; A95-S112 CarbonylContact C-O 3.59Å; A95-S112 WeakPolarHBondContact CA-O 3.43Å; A95-M113 HydrophobicContact CB-CB 4.03Å |
| 96 | E | 96 | Very high | 95.7 | Very high | 57 Ų | 57 | 73.5 Ų | 73.5 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 110.7 | 169.5 | -67.7 | -166.8 | 171.4 | 0 | 0 | 109.1 | K62 I67 F111 S112 | K62-E96 VanDerWaalsContact NZ-CD 3.31Å; K62-E96 IonicContact NZ-OE1 3.13Å; K62-E96 PolarHBondContact NZ-OE1 2.89Å; K62-E96 IonicContact NZ-OE2 3.33Å; K62-E96 PolarHBondContact NZ-OE2 3.13Å; K62-E96 VanDerWaalsContact NZ-OE2 3.13Å; I67-E96 HydrophobicContact CG2-CB 3.64Å; I67-E96 HydrophobicContact CG2-CG 4.03Å; E96-F111 WeakPolarHBondContact O-CA 3.25Å; E96-S112 PolarHBondContact N-O 2.81Å; E96-S112 PolarHBondContact O-N 3.32Å |
| 97 | K | 96.9 | Very high | 95.8 | Very high | 59 Ų | 59 | 71.6 Ų | 71.6 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 122.2 | 175.9 | 178.3 | -178.9 | -179.1 | 177 | 0 | 109.6 | I67 I68 I70 Y109 F111 | I67-K97 WeakPolarHBondContact CA-O 3.5Å; I68-K97 PolarHBondContact N-O 2.92Å; I68-K97 VanDerWaalsContact N-O 3.08Å; I68-K97 PolarHBondContact O-N 3.35Å; I70-K97 HydrophobicContact CD1-CB 4.07Å; I70-K97 HydrophobicContact CD1-CD 4.23Å; I70-K97 HydrophobicContact CG1-CB 4.06Å; I70-K97 HydrophobicContact CG2-CB 4.27Å; I70-K97 HydrophobicContact CG2-CD 4.39Å; K97-Y109 HydrophobicContact CD-CD1 4.25Å; K97-Y109 VanDerWaalsContact CE-CG 3.42Å; K97-Y109 HydrophobicContact CG-CD1 4.05Å; K97-Y109 HydrophobicContact CG-CG 4.42Å; K97-F111 HydrophobicContact CB-CD1 4.03Å; K97-F111 HydrophobicContact CB-CE1 3.95Å; K97-F111 HydrophobicContact CD-CE1 3.97Å; K97-F111 HydrophobicContact CG-CD1 4.19Å; K97-F111 HydrophobicContact CG-CE1 3.68Å |
| 98 | K | 96.2 | Very high | 95.9 | Very high | 99 Ų | 99 | 72.7 Ų | 72.7 | 43% | 0.43 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141.6 | 174.4 | -174.8 | 179.5 | 177.4 | -175.4 | 0 | 110 | I67 Y109 Q110 | I67-K98 HydrophobicContact CG1-CB 4.37Å; I67-K98 HydrophobicContact CG1-CG 4.4Å; K98-Y109 CarbonylContact O-C 3.53Å; K98-Y109 WeakPolarHBondContact O-CA 2.9Å; K98-Q110 PolarHBondContact N-O 2.8Å; K98-Q110 PolarHBondContact O-N 2.74Å |
| 99 | K | 96.5 | Very high | 96 | Very high | 115 Ų | 115 | 74.6 Ų | 74.6 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123 | 167.9 | -177 | -178.3 | 174.1 | -177.9 | 0 | 108.3 | M102 P107 Y109 | K99-M102 PolarHBondContact NZ-SD 2.78Å; K99-M102 VanDerWaalsContact NZ-SD 3.42Å; K99-P107 HydrophobicContact CD-CB 4.17Å; K99-P107 HydrophobicContact CG-CB 4.26Å; K99-Y109 HydrophobicContact CB-CD1 4.25Å; K99-Y109 HydrophobicContact CB-CE1 4.14Å; K99-Y109 HydrophobicContact CG-CE1 4.48Å |
| 100 | V | 95.3 | Very high | 96.1 | Very high | 73 Ų | 73 | 70.5 Ų | 70.5 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -40.8 | -176 | 179.5 | 0 | 0 | 0 | 0 | 112 | I108 Q110 | V100-I108 PolarHBondContact N-O 2.98Å; V100-Q110 HydrophobicContact CG2-CB 3.37Å; V100-Q110 HydrophobicContact CG2-CG 4.35Å |
| 101 | G | 95.1 | Very high | 96.2 | Very high | 27 Ų | 27 | 69.3 Ų | 69.3 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | -168.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I108 | G101-I108 PolarHBondContact O-N 2.75Å |
| 102 | M | 96.3 | Very high | 96.3 | Very high | 101 Ų | 101 | 68.8 Ų | 68.8 | 50% | 0.498 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.4 | 174.9 | -61.8 | -154.9 | 64.9 | 0 | 0 | 110.1 | K99 S105 T106 | K99-M102 PolarHBondContact NZ-SD 2.78Å; K99-M102 VanDerWaalsContact NZ-SD 3.42Å; M102-S105 VanDerWaalsContact CE-C 3.47Å; M102-S105 WeakPolarHBondContact CE-O 3.44Å; M102-T106 CarbonylContact C-O 3.49Å; M102-T106 WeakPolarHBondContact CA-O 3.45Å |
| 103 | Y | 96.2 | Very high | 96.2 | Very high | 82 Ų | 82 | 61.6 Ų | 61.6 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 103.5 | 167.9 | -178.9 | -109.4 | 0 | 0 | 0 | 107.8 | S105 T106 P128 K129 | Y103-S105 PolarHBondContact O-N 3.02Å; Y103-T106 PolarHBondContact N-O 3.29Å; Y103-T106 PolarHBondContact O-N 2.94Å; Y103-P128 HydrophobicContact CD1-CB 3.81Å; Y103-P128 HydrophobicContact CD1-CG 3.49Å; Y103-P128 VanDerWaalsContact CD1-CG 3.49Å; Y103-P128 HydrophobicContact CE1-CG 4.43Å; Y103-P128 HydrophobicContact CG-CB 4.37Å; Y103-P128 HydrophobicContact CG-CG 3.53Å; Y103-K129 HydrophobicContact CE1-CB 4.29Å; Y103-K129 HydrophobicContact CE2-CB 4.26Å |
| 104 | H | 95.4 | Very high | 96.2 | Very high | 157 Ų | 157 | 64.4 Ų | 64.4 | 73% | 0.727 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | -111.4 | -165.2 | -55.1 | -72.6 | 0 | 0 | 0 | 110.8 | ||
| 105 | S | 95.7 | Very high | 96.2 | Very high | 100 Ų | 100 | 59.3 Ų | 59.3 | 70% | 0.699 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -9.5 | 177 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | M102 Y103 | M102-S105 VanDerWaalsContact CE-C 3.47Å; M102-S105 WeakPolarHBondContact CE-O 3.44Å; Y103-S105 PolarHBondContact O-N 3.02Å |
| 106 | T | 95.8 | Very high | 95.9 | Very high | 69 Ų | 69 | 64.2 Ų | 64.2 | 42% | 0.423 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 126.5 | -173.5 | -55.8 | 0 | 0 | 0 | 0 | 111 | M102 Y103 P128 | M102-T106 CarbonylContact C-O 3.49Å; M102-T106 WeakPolarHBondContact CA-O 3.45Å; Y103-T106 PolarHBondContact N-O 3.29Å; Y103-T106 PolarHBondContact O-N 2.94Å; T106-P128 HydrophobicContact CG2-CB 4.23Å |
| 107 | P | 96.5 | Very high | 95.7 | Very high | 33 Ų | 33 | 65.9 Ų | 65.9 | 21% | 0.214 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 136.8 | 178.4 | 29.4 | -34.6 | 0 | 0 | 0 | 111.6 | K99 Y109 | K99-P107 HydrophobicContact CD-CB 4.17Å; K99-P107 HydrophobicContact CG-CB 4.26Å; P107-Y109 HydrophobicContact CB-CE1 4.35Å; P107-Y109 HydrophobicContact CB-CE2 4.2Å; P107-Y109 HydrophobicContact CG-CE2 3.71Å; P107-Y109 WeakPolarHBondContact CG-OH 3.39Å |
| 108 | I | 97.6 | Very high | 95.5 | Very high | 26 Ų | 26 | 64.6 Ų | 64.6 | 13% | 0.133 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.1 | 170.7 | -59.4 | 167.2 | 0 | 0 | 0 | 108.8 | V100 G101 Q125 T126 P128 | V100-I108 PolarHBondContact N-O 2.98Å; G101-I108 PolarHBondContact O-N 2.75Å; I108-Q125 HydrophobicContact CG2-CG 3.39Å; I108-T126 WeakPolarHBondContact CG2-O 3.45Å; I108-P128 HydrophobicContact CG1-CG 4.25Å |
| 109 | Y | 97.2 | Very high | 95.4 | Very high | 70 Ų | 70 | 65 Ų | 65 | 28% | 0.275 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 140.3 | 178.4 | -64.1 | -66.5 | 0 | 0 | 0 | 111.2 | K97 K98 K99 P107 Q125 T126 | K97-Y109 HydrophobicContact CD-CD1 4.25Å; K97-Y109 VanDerWaalsContact CE-CG 3.42Å; K97-Y109 HydrophobicContact CG-CD1 4.05Å; K97-Y109 HydrophobicContact CG-CG 4.42Å; K98-Y109 CarbonylContact O-C 3.53Å; K98-Y109 WeakPolarHBondContact O-CA 2.9Å; K99-Y109 HydrophobicContact CB-CD1 4.25Å; K99-Y109 HydrophobicContact CB-CE1 4.14Å; K99-Y109 HydrophobicContact CG-CE1 4.48Å; P107-Y109 HydrophobicContact CB-CE1 4.35Å; P107-Y109 HydrophobicContact CB-CE2 4.2Å; P107-Y109 HydrophobicContact CG-CE2 3.71Å; P107-Y109 WeakPolarHBondContact CG-OH 3.39Å; Y109-Q125 WeakPolarHBondContact O-CA 3.34Å; Y109-T126 PolarHBondContact N-OG1 2.9Å; Y109-T126 PolarHBondContact O-N 3.04Å; Y109-T126 PolarHBondContact O-OG1 2.94Å |
| 110 | Q | 97.5 | Very high | 95.2 | Very high | 49 Ų | 49 | 59.9 Ų | 59.9 | 23% | 0.229 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.9 | 168.6 | -179.8 | -177.9 | -21.3 | 0 | 0 | 108.8 | K98 V100 V123 M124 | K98-Q110 PolarHBondContact N-O 2.8Å; K98-Q110 PolarHBondContact O-N 2.74Å; V100-Q110 HydrophobicContact CG2-CB 3.37Å; V100-Q110 HydrophobicContact CG2-CG 4.35Å; Q110-V123 HydrophobicContact CG-CG1 3.54Å; Q110-M124 CarbonylContact C-O 3.59Å; Q110-M124 VanDerWaalsContact CA-O 3.3Å; Q110-M124 WeakPolarHBondContact CA-O 3.31Å |
| 111 | F | 97.5 | Very high | 95.2 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 4% | 0.044 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.4 | 177.7 | -55.7 | -76.7 | 0 | 0 | 0 | 108.4 | I70 F72 A95 E96 K97 V123 M124 T126 Y133 | I70-F111 HydrophobicContact CD1-CD1 3.78Å; I70-F111 HydrophobicContact CD1-CE1 3.49Å; I70-F111 VanDerWaalsContact CD1-CE1 3.49Å; F72-F111 HydrophobicContact CD2-CD1 4.11Å; F72-F111 HydrophobicContact CD2-CE1 4.2Å; F72-F111 HydrophobicContact CD2-CG 4.3Å; F72-F111 HydrophobicContact CD2-CZ 4.48Å; F72-F111 HydrophobicContact CE2-CD1 4.3Å; F72-F111 HydrophobicContact CE2-CD2 4.01Å; F72-F111 HydrophobicContact CE2-CE1 4.28Å; F72-F111 AromaticContact CE2-CE2 3.98Å; F72-F111 HydrophobicContact CE2-CE2 3.98Å; F72-F111 HydrophobicContact CE2-CG 4.17Å; F72-F111 HydrophobicContact CE2-CZ 4.11Å; F72-F111 HydrophobicContact CZ-CD2 4.09Å; F72-F111 HydrophobicContact CZ-CE2 4.38Å; F72-F111 HydrophobicContact CZ-CG 4.38Å; A95-F111 HydrophobicContact CB-CB 4.46Å; E96-F111 WeakPolarHBondContact O-CA 3.25Å; K97-F111 HydrophobicContact CB-CD1 4.03Å; K97-F111 HydrophobicContact CB-CE1 3.95Å; K97-F111 HydrophobicContact CD-CE1 3.97Å; K97-F111 HydrophobicContact CG-CD1 4.19Å; K97-F111 HydrophobicContact CG-CE1 3.68Å; F111-V123 WeakPolarHBondContact O-CA 3.34Å; F111-M124 PolarHBondContact N-O 3.22Å; F111-M124 PolarHBondContact O-N 3.12Å; F111-T126 HydrophobicContact CE2-CG2 3.68Å; F111-T126 HydrophobicContact CZ-CG2 4.36Å; F111-Y133 HydrophobicContact CD2-CE1 4.37Å; F111-Y133 HydrophobicContact CE2-CD1 4.39Å; F111-Y133 AromaticContact CE2-CE1 3.81Å; F111-Y133 HydrophobicContact CE2-CE1 3.81Å |
| 112 | S | 96.6 | Very high | 95.3 | Very high | 34 Ų | 34 | 58.6 Ų | 58.6 | 24% | 0.238 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.3 | 171 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | A95 E96 T121 | A95-S112 CarbonylContact C-O 3.59Å; A95-S112 WeakPolarHBondContact CA-O 3.43Å; E96-S112 PolarHBondContact N-O 2.81Å; E96-S112 PolarHBondContact O-N 3.32Å; S112-T121 WeakPolarHBondContact OG-CG2 3.31Å |
| 113 | M | 95 | Very high | 95.4 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 143.7 | -179.3 | 56.7 | -170.5 | 158 | 0 | 0 | 111.5 | F72 M74 Y93 A95 I122 M124 | F72-M113 HydrophobicContact CD1-CE 4.43Å; F72-M113 HydrophobicContact CD1-SD 4.08Å; F72-M113 HydrophobicContact CE1-CE 4.38Å; M74-M113 HydrophobicContact CE-CE 3.23Å; M74-M113 HydrophobicContact CE-SD 3.69Å; M74-M113 HydrophobicContact SD-CE 3.43Å; M74-M113 WeakPolarHBondContact SD-CE 3.42Å; M74-M113 HydrophobicContact SD-SD 4.09Å; Y93-M113 HydrophobicContact CD1-CB 4.47Å; Y93-M113 HydrophobicContact CD2-SD 3.64Å; Y93-M113 HydrophobicContact CE2-SD 4.33Å; Y93-M113 HydrophobicContact CG-CB 4.17Å; Y93-M113 HydrophobicContact CG-CG 4.38Å; Y93-M113 HydrophobicContact CG-SD 3.88Å; A95-M113 HydrophobicContact CB-CB 4.03Å; M113-I122 HydrophobicContact CE-CB 4.29Å; M113-I122 HydrophobicContact CE-CG2 3.9Å; M113-I122 HydrophobicContact CG-CB 4.13Å; M113-I122 PolarHBondContact N-O 3.29Å; M113-I122 PolarHBondContact O-N 3.18Å; M113-M124 HydrophobicContact CE-CE 3.71Å; M113-M124 HydrophobicContact CE-CG 3.89Å; M113-M124 HydrophobicContact CE-SD 3.48Å; M113-M124 WeakPolarHBondContact CE-SD 3.34Å |
| 114 | P | 95 | Very high | 95.4 | Very high | 72 Ų | 72 | 50.3 Ų | 50.3 | 47% | 0.468 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 149.3 | 174.8 | 31.2 | -34.2 | 0 | 0 | 0 | 111 | Y93 | Y93-P114 WeakPolarHBondContact CD1-O 3.35Å; Y93-P114 WeakPolarHBondContact CE1-O 3.21Å |
| 115 | C | 95 | Very high | 95.5 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | trans | -66.8 | 150.9 | 166.6 | -173 | 0 | 0 | 0 | 0 | 110.2 | L117 C118 G120 | C115-L117 VanDerWaalsContact C-N 3.33Å; C115-C118 VanDerWaalsContact CB-SG 3.54Å; C115-C118 VanDerWaalsContact O-O 3.12Å; C115-G120 PolarHBondContact N-O 2.89Å | ||
| 116 | H | 90.1 | Very high | 95.6 | Very high | 103 Ų | 103 | 41 Ų | 41 | 48% | 0.477 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -81.9 | -14.8 | -178.5 | 67.8 | -82.1 | 0 | 0 | 0 | 113 | Y93 | Y93-H116 HydrophobicContact CE1-CB 4.11Å; Y93-H116 PolarHBondContact OH-ND1 3.18Å |
| 117 | L | 92 | Very high | 95.6 | Very high | 93 Ų | 93 | 39.9 Ų | 39.9 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -111 | -21.9 | -176.7 | -59.5 | 170.4 | 0 | 0 | 0 | 113.1 | N85 C115 | N85-L117 HydrophobicContact CB-CD1 3.37Å; N85-L117 WeakPolarHBondContact ND2-CD1 3.45Å; C115-L117 VanDerWaalsContact C-N 3.33Å |
| 118 | C | 93.5 | Very high | 95.6 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 22% | 0.216 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -141.5 | 167.7 | -177.5 | 67.9 | 0 | 0 | 0 | 0 | 111.3 | C83 C115 G120 | C83-C118 HydrophobicContact CB-CB 3.91Å; C83-C118 VanDerWaalsContact SG-SG 3.6Å; C115-C118 VanDerWaalsContact CB-SG 3.54Å; C115-C118 VanDerWaalsContact O-O 3.12Å; C118-G120 PolarHBondContact O-N 3.35Å; C118-G120 VanDerWaalsContact O-N 3.12Å; C118-G120 PolarHBondContact SG-N 3.27Å |
| 119 | A | 92.8 | Very high | 95.5 | Very high | 106 Ų | 106 | 45.8 Ų | 45.8 | 88% | 0.876 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -74.6 | 10.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 120 | G | 93.9 | Very high | 95.4 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 9% | 0.093 | 27% | 0.266 | C | S | . | . | trans | -68.4 | 142.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C115 C118 | C115-G120 PolarHBondContact N-O 2.89Å; C118-G120 PolarHBondContact O-N 3.35Å; C118-G120 VanDerWaalsContact O-N 3.12Å; C118-G120 PolarHBondContact SG-N 3.27Å | ||
| 121 | T | 95.6 | Very high | 95.3 | Very high | 72 Ų | 72 | 53.5 Ų | 53.5 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.2 | 176 | -59.1 | 0 | 0 | 0 | 0 | 109.8 | S112 V123 G138 | S112-T121 WeakPolarHBondContact OG-CG2 3.31Å; T121-V123 HydrophobicContact CG2-CG2 4.27Å; T121-G138 WeakPolarHBondContact O-CA 3.14Å |
| 122 | I | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.5 | 176 | -56.8 | 169 | 0 | 0 | 0 | 107.8 | M74 I87 M113 M124 E137 A139 | M74-I122 HydrophobicContact CE-CD1 3.78Å; M74-I122 HydrophobicContact CE-CG2 4.4Å; I87-I122 HydrophobicContact CD1-CD1 3.34Å; M113-I122 HydrophobicContact CE-CB 4.29Å; M113-I122 HydrophobicContact CE-CG2 3.9Å; M113-I122 HydrophobicContact CG-CB 4.13Å; M113-I122 PolarHBondContact N-O 3.29Å; M113-I122 PolarHBondContact O-N 3.18Å; I122-M124 HydrophobicContact CG2-CE 4.16Å; I122-M124 HydrophobicContact CG2-CG 4.35Å; I122-E137 WeakPolarHBondContact CA-O 3.34Å; I122-A139 HydrophobicContact CD1-CB 4.32Å; I122-A139 HydrophobicContact CG1-CB 4.28Å; I122-A139 HydrophobicContact CG2-CB 3.76Å |
| 123 | V | 97.2 | Very high | 95.1 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.055 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122.1 | -179.5 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | Q110 F111 T121 L136 E137 | Q110-V123 HydrophobicContact CG-CG1 3.54Å; F111-V123 WeakPolarHBondContact O-CA 3.34Å; T121-V123 HydrophobicContact CG2-CG2 4.27Å; V123-L136 HydrophobicContact CB-CB 4.39Å; V123-L136 HydrophobicContact CG1-CB 4.2Å; V123-L136 HydrophobicContact CG1-CD1 4.01Å; V123-L136 PolarHBondContact O-N 3.4Å; V123-E137 HydrophobicContact CB-CB 4.13Å; V123-E137 HydrophobicContact CG2-CB 4.26Å; V123-E137 PolarHBondContact N-O 2.89Å; V123-E137 PolarHBondContact O-N 2.94Å |
| 124 | M | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.3 | 176.6 | -65.9 | -174.8 | 175.3 | 0 | 0 | 111.1 | F72 M74 P75 Q110 F111 M113 I122 V134 I135 | F72-M124 HydrophobicContact CE1-SD 4.36Å; M74-M124 HydrophobicContact CE-CE 4Å; M74-M124 HydrophobicContact SD-CE 3.39Å; M74-M124 WeakPolarHBondContact SD-CE 3.29Å; M74-M124 HydrophobicContact SD-SD 4.15Å; P75-M124 HydrophobicContact CG-SD 4.35Å; Q110-M124 CarbonylContact C-O 3.59Å; Q110-M124 VanDerWaalsContact CA-O 3.3Å; Q110-M124 WeakPolarHBondContact CA-O 3.31Å; F111-M124 PolarHBondContact N-O 3.22Å; F111-M124 PolarHBondContact O-N 3.12Å; M113-M124 HydrophobicContact CE-CE 3.71Å; M113-M124 HydrophobicContact CE-CG 3.89Å; M113-M124 HydrophobicContact CE-SD 3.48Å; M113-M124 WeakPolarHBondContact CE-SD 3.34Å; I122-M124 HydrophobicContact CG2-CE 4.16Å; I122-M124 HydrophobicContact CG2-CG 4.35Å; M124-V134 CarbonylContact C-O 3.18Å; M124-V134 VanDerWaalsContact CA-O 3.32Å; M124-V134 WeakPolarHBondContact CA-O 3.15Å; M124-I135 HydrophobicContact CE-CD1 4.2Å; M124-I135 HydrophobicContact CE-CG1 3.79Å; M124-I135 HydrophobicContact CG-CG1 4.09Å |
| 125 | Q | 97.1 | Very high | 95.2 | Very high | 39 Ų | 39 | 61.1 Ų | 61.1 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148.2 | 177.5 | -173.9 | 170.5 | -3 | 0 | 0 | 110.7 | I108 Y109 Y133 V134 L136 | I108-Q125 HydrophobicContact CG2-CG 3.39Å; Y109-Q125 WeakPolarHBondContact O-CA 3.34Å; Q125-Y133 CarbonylContact O-C 3.52Å; Q125-Y133 WeakPolarHBondContact O-CA 3.4Å; Q125-V134 PolarHBondContact N-O 3.45Å; Q125-V134 PolarHBondContact O-N 3.06Å; Q125-L136 HydrophobicContact CB-CD1 4.07Å; Q125-L136 HydrophobicContact CB-CD2 4.46Å; Q125-L136 HydrophobicContact CB-CG 4.12Å |
| 126 | T | 97.7 | Very high | 95.2 | Very high | 22 Ų | 22 | 64.4 Ų | 64.4 | 14% | 0.135 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 130.9 | 171.8 | 56.8 | 0 | 0 | 0 | 0 | 111.3 | I108 Y109 F111 P128 Y133 | I108-T126 WeakPolarHBondContact CG2-O 3.45Å; Y109-T126 PolarHBondContact N-OG1 2.9Å; Y109-T126 PolarHBondContact O-N 3.04Å; Y109-T126 PolarHBondContact O-OG1 2.94Å; F111-T126 HydrophobicContact CE2-CG2 3.68Å; F111-T126 HydrophobicContact CZ-CG2 4.36Å; T126-P128 WeakPolarHBondContact O-CD 3.48Å; T126-Y133 HydrophobicContact CG2-CD1 3.99Å; T126-Y133 HydrophobicContact CG2-CE1 3.6Å |
| 127 | D | 96.6 | Very high | 95.5 | Very high | 46 Ų | 46 | 65.7 Ų | 65.7 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 91.8 | 174.8 | -77.6 | 11.3 | 0 | 0 | 0 | 110.2 | K129 N130 F131 Q132 V134 | D127-K129 PolarHBondContact O-N 3.44Å; D127-N130 PolarHBondContact O-N 2.9Å; D127-F131 PolarHBondContact O-N 3.49Å; D127-F131 VanDerWaalsContact O-N 3.12Å; D127-Q132 PolarHBondContact N-O 3.13Å; D127-Q132 PolarHBondContact O-N 2.99Å; D127-V134 HydrophobicContact CB-CG2 4.34Å; D127-V134 WeakPolarHBondContact OD2-CG2 3.39Å |
| 128 | P | 96.5 | Very high | 95.6 | Very high | 32 Ų | 32 | 62 Ų | 62 | 21% | 0.208 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -22.4 | -176.6 | 23.5 | -33.2 | 0 | 0 | 0 | 113.7 | Y103 T106 I108 T126 | Y103-P128 HydrophobicContact CD1-CB 3.81Å; Y103-P128 HydrophobicContact CD1-CG 3.49Å; Y103-P128 VanDerWaalsContact CD1-CG 3.49Å; Y103-P128 HydrophobicContact CE1-CG 4.43Å; Y103-P128 HydrophobicContact CG-CB 4.37Å; Y103-P128 HydrophobicContact CG-CG 3.53Å; T106-P128 HydrophobicContact CG2-CB 4.23Å; I108-P128 HydrophobicContact CG1-CG 4.25Å; T126-P128 WeakPolarHBondContact O-CD 3.48Å |
| 129 | K | 96.1 | Very high | 95.7 | Very high | 152 Ų | 152 | 60.9 Ų | 60.9 | 66% | 0.661 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -40.9 | 176.3 | -174 | -178.2 | 177.1 | -178.3 | 0 | 112.7 | Y103 D127 | Y103-K129 HydrophobicContact CE1-CB 4.29Å; Y103-K129 HydrophobicContact CE2-CB 4.26Å; D127-K129 PolarHBondContact O-N 3.44Å |
| 130 | N | 95.2 | Very high | 95.8 | Very high | 86 Ų | 86 | 63 Ų | 63 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 1.7 | -173 | -60.2 | -2.5 | 0 | 0 | 0 | 112.5 | D127 Q132 | D127-N130 PolarHBondContact O-N 2.9Å; N130-Q132 HydrophobicContact CB-CB 4.42Å; N130-Q132 WeakPolarHBondContact O-CG 3.41Å; N130-Q132 PolarHBondContact O-N 3.27Å |
| 131 | F | 94.3 | Very high | 95.8 | Very high | 194 Ų | 194 | 68.7 Ų | 68.7 | 85% | 0.851 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 38.4 | -172.2 | -56.4 | -80.9 | 0 | 0 | 0 | 113.4 | D127 | D127-F131 PolarHBondContact O-N 3.49Å; D127-F131 VanDerWaalsContact O-N 3.12Å |
| 132 | Q | 94.5 | Very high | 95.7 | Very high | 107 Ų | 107 | 69.1 Ų | 69.1 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 164.1 | -174.2 | -74.5 | 174.2 | 30 | 0 | 0 | 112.1 | D127 N130 | D127-Q132 PolarHBondContact N-O 3.13Å; D127-Q132 PolarHBondContact O-N 2.99Å; N130-Q132 HydrophobicContact CB-CB 4.42Å; N130-Q132 WeakPolarHBondContact O-CG 3.41Å; N130-Q132 PolarHBondContact O-N 3.27Å |
| 133 | Y | 96.4 | Very high | 95.4 | Very high | 87 Ų | 87 | 74.3 Ų | 74.3 | 34% | 0.341 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.4 | 166.4 | -66 | -89 | 0 | 0 | 0 | 109.1 | F72 P75 F76 F111 Q125 T126 | F72-Y133 HydrophobicContact CE2-CE1 4.05Å; F72-Y133 HydrophobicContact CZ-CD1 4.23Å; F72-Y133 AromaticContact CZ-CE1 3.86Å; F72-Y133 HydrophobicContact CZ-CE1 3.86Å; P75-Y133 HydrophobicContact CB-CD2 3.75Å; P75-Y133 HydrophobicContact CB-CE2 4.2Å; P75-Y133 HydrophobicContact CB-CG 4.47Å; P75-Y133 HydrophobicContact CG-CD2 3.79Å; P75-Y133 HydrophobicContact CG-CE2 4.5Å; P75-Y133 HydrophobicContact CG-CG 4Å; F76-Y133 WeakPolarHBondContact CE1-O 3.4Å; F111-Y133 HydrophobicContact CD2-CE1 4.37Å; F111-Y133 HydrophobicContact CE2-CD1 4.39Å; F111-Y133 AromaticContact CE2-CE1 3.81Å; F111-Y133 HydrophobicContact CE2-CE1 3.81Å; Q125-Y133 CarbonylContact O-C 3.52Å; Q125-Y133 WeakPolarHBondContact O-CA 3.4Å; T126-Y133 HydrophobicContact CG2-CD1 3.99Å; T126-Y133 HydrophobicContact CG2-CE1 3.6Å |
| 134 | V | 95.8 | Very high | 94.6 | Very high | 51 Ų | 51 | 80.4 Ų | 80.4 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136 | 174.9 | 171.7 | 0 | 0 | 0 | 0 | 109.4 | M124 Q125 D127 | M124-V134 CarbonylContact C-O 3.18Å; M124-V134 VanDerWaalsContact CA-O 3.32Å; M124-V134 WeakPolarHBondContact CA-O 3.15Å; Q125-V134 PolarHBondContact N-O 3.45Å; Q125-V134 PolarHBondContact O-N 3.06Å; D127-V134 HydrophobicContact CB-CG2 4.34Å; D127-V134 WeakPolarHBondContact OD2-CG2 3.39Å |
| 135 | I | 96 | Very high | 93.7 | Very high | 32 Ų | 32 | 88.2 Ų | 88.2 | 16% | 0.164 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 124.9 | 171.9 | -62.8 | 160.5 | 0 | 0 | 0 | 107.5 | F76 C78 M124 A139 R141 | F76-I135 HydrophobicContact CE2-CD1 3.5Å; F76-I135 HydrophobicContact CE2-CG1 4.15Å; F76-I135 HydrophobicContact CZ-CD1 3.74Å; F76-I135 HydrophobicContact CZ-CG1 3.87Å; C78-I135 HydrophobicContact CB-CD1 4.24Å; M124-I135 HydrophobicContact CE-CD1 4.2Å; M124-I135 HydrophobicContact CE-CG1 3.79Å; M124-I135 HydrophobicContact CG-CG1 4.09Å; I135-A139 HydrophobicContact CD1-CB 4.04Å; I135-A139 HydrophobicContact CG2-CB 4.12Å; I135-A139 WeakPolarHBondContact CG2-O 3.22Å; I135-R141 HydrophobicContact CD1-CB 4.44Å |
| 136 | L | 95.7 | Very high | 92.5 | Very high | 81 Ų | 81 | 95.4 Ų | 95.4 | 42% | 0.424 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -51.3 | 171.2 | -62.1 | 180 | 0 | 0 | 0 | 110.1 | V123 Q125 | V123-L136 HydrophobicContact CB-CB 4.39Å; V123-L136 HydrophobicContact CG1-CB 4.2Å; V123-L136 HydrophobicContact CG1-CD1 4.01Å; V123-L136 PolarHBondContact O-N 3.4Å; Q125-L136 HydrophobicContact CB-CD1 4.07Å; Q125-L136 HydrophobicContact CB-CD2 4.46Å; Q125-L136 HydrophobicContact CB-CG 4.12Å |
| 137 | E | 95.6 | Very high | 91.2 | Very high | 130 Ų | 130 | 98 Ų | 98 | 61% | 0.607 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 153.3 | -170.4 | -60.6 | 178.2 | 178.1 | 0 | 0 | 112.4 | I122 V123 A139 | I122-E137 WeakPolarHBondContact CA-O 3.34Å; V123-E137 HydrophobicContact CB-CB 4.13Å; V123-E137 HydrophobicContact CG2-CB 4.26Å; V123-E137 PolarHBondContact N-O 2.89Å; V123-E137 PolarHBondContact O-N 2.94Å; E137-A139 VanDerWaalsContact C-N 3.29Å; E137-A139 PolarHBondContact O-N 3.33Å |
| 138 | G | 94.1 | Very high | 90 | Very high | 14 Ų | 14 | 98.2 Ų | 98.2 | 14% | 0.144 | 46% | 0.46 | C | S | . | . | S | Bend | trans | 81.9 | -11.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | L81 T121 | L81-G138 PolarHBondContact N-O 2.91Å; T121-G138 WeakPolarHBondContact O-CA 3.14Å |
| 139 | A | 95.4 | Very high | 88.8 | Confident | 10 Ų | 10 | 104 Ų | 104 | 8% | 0.083 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 157.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C78 W79 I122 I135 E137 | C78-A139 HydrophobicContact CB-CB 4.31Å; W79-A139 CarbonylContact O-C 3.59Å; W79-A139 WeakPolarHBondContact O-CA 3.47Å; W79-A139 WeakPolarHBondContact O-CB 3.45Å; I122-A139 HydrophobicContact CD1-CB 4.32Å; I122-A139 HydrophobicContact CG1-CB 4.28Å; I122-A139 HydrophobicContact CG2-CB 3.76Å; I135-A139 HydrophobicContact CD1-CB 4.04Å; I135-A139 HydrophobicContact CG2-CB 4.12Å; I135-A139 WeakPolarHBondContact CG2-O 3.22Å; E137-A139 VanDerWaalsContact C-N 3.29Å; E137-A139 PolarHBondContact O-N 3.33Å |
| 140 | R | 95.1 | Very high | 87.7 | Confident | 149 Ų | 149 | 104.1 Ų | 104.1 | 56% | 0.562 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140.9 | 166.8 | 63.7 | 178.1 | -174 | -179.5 | 2.4 | 109.6 | C78 W79 L81 | C78-R140 CarbonylContact C-O 3.57Å; C78-R140 VanDerWaalsContact CA-O 3.25Å; C78-R140 WeakPolarHBondContact CA-O 2.84Å; C78-R140 VanDerWaalsContact CB-O 3.3Å; C78-R140 WeakPolarHBondContact CB-O 3.36Å; W79-R140 HydrophobicContact CB-CG 3.71Å; W79-R140 HydrophobicContact CG-CG 4.4Å; W79-R140 PolarHBondContact N-O 3.33Å; W79-R140 PolarHBondContact O-N 2.88Å; L81-R140 HydrophobicContact CD2-CB 4.32Å; L81-R140 HydrophobicContact CD2-CG 4.27Å |
| 141 | R | 94.4 | Very high | 86.9 | Confident | 130 Ų | 130 | 103.7 Ų | 103.7 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 135.5 | 175.6 | -176.5 | 165.7 | -176 | 138.2 | -1.2 | 109.8 | F76 I135 V143 | F76-R141 HydrophobicContact CD2-CB 4.23Å; F76-R141 HydrophobicContact CD2-CG 3.64Å; F76-R141 VanDerWaalsContact CE1-NH1 3.31Å; F76-R141 HydrophobicContact CE2-CB 3.78Å; F76-R141 HydrophobicContact CE2-CG 3.65Å; F76-R141 HydrophobicContact CG-CG 4.43Å; F76-R141 HydrophobicContact CZ-CG 4.47Å; I135-R141 HydrophobicContact CD1-CB 4.44Å; R141-V143 PolarHBondContact O-N 2.7Å |
| 142 | K | 93.8 | Very high | 85.7 | Confident | 81 Ų | 81 | 103.5 Ų | 103.5 | 35% | 0.352 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 118.7 | 169.9 | -174.8 | 177.7 | -179.7 | -178.4 | 0 | 107.7 | N77 Q144 | N77-K142 HydrophobicContact CB-CB 3.92Å; N77-K142 HydrophobicContact CB-CD 4.09Å; N77-K142 VanDerWaalsContact O-CB 3.29Å; N77-K142 WeakPolarHBondContact O-CB 3.44Å; N77-K142 PolarHBondContact O-N 3.44Å; K142-Q144 HydrophobicContact CD-CG 4.37Å; K142-Q144 HydrophobicContact CG-CG 4.24Å; K142-Q144 PolarHBondContact O-N 2.94Å |
| 143 | V | 88.5 | Confident | 84.6 | Confident | 108 Ų | 108 | 104.2 Ų | 104.2 | 66% | 0.655 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 119.3 | 173 | -178 | 0 | 0 | 0 | 0 | 107.1 | R141 K145 | R141-V143 PolarHBondContact O-N 2.7Å; V143-K145 HydrophobicContact CG1-CB 4.24Å; V143-K145 HydrophobicContact CG1-CD 4Å; V143-K145 HydrophobicContact CG1-CG 3.73Å |
| 144 | Q | 81.7 | Confident | 83.2 | Confident | 137 Ų | 137 | 107 Ų | 107 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | trans | -118.6 | 67.7 | 170.3 | -66.6 | -170.3 | -57 | 0 | 0 | 106.8 | K142 | K142-Q144 HydrophobicContact CD-CG 4.37Å; K142-Q144 HydrophobicContact CG-CG 4.24Å; K142-Q144 PolarHBondContact O-N 2.94Å | ||
| 145 | K | 76.9 | Confident | 81.7 | Confident | 165 Ų | 165 | 109 Ų | 109 | 72% | 0.717 | 52% | 0.517 | S | S | * | . | trans | -80 | 134.6 | 164.2 | -72.4 | 178.8 | 178.8 | -176.4 | 0 | 106 | V143 D147 | V143-K145 HydrophobicContact CG1-CB 4.24Å; V143-K145 HydrophobicContact CG1-CD 4Å; V143-K145 HydrophobicContact CG1-CG 3.73Å; K145-D147 PolarHBondContact O-N 3.2Å | ||
| 146 | W | 72.2 | Confident | 80.2 | Confident | 190 Ų | 190 | 114 Ų | 114 | 72% | 0.72 | 54% | 0.543 | S | S | * | . | trans | -76.3 | 103.8 | 173.2 | -178.4 | -85.1 | 0 | 0 | 0 | 107.1 | N151 | W146-N151 HydrophobicContact CZ2-CB 4.07Š| ||
| 147 | D | 70.2 | Confident | 78.7 | Confident | 77 Ų | 77 | 111.3 Ų | 111.3 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | trans | -91.1 | 115 | 174.2 | -68.1 | -25.7 | 0 | 0 | 0 | 107.8 | K145 E149 E150 N151 | K145-D147 PolarHBondContact O-N 3.2Å; D147-E149 PolarHBondContact O-N 3Å; D147-E150 HydrophobicContact CB-CG 4.17Å; D147-E150 PolarHBondContact O-N 3.16Å; D147-N151 PolarHBondContact O-ND2 3.39Å | ||
| 148 | S | 71.7 | Confident | 77.8 | Confident | 50 Ų | 50 | 110.2 Ų | 110.2 | 35% | 0.35 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -29.4 | -178.3 | -61 | 0 | 0 | 0 | 0 | 111.9 | N151 Q153 | S148-N151 PolarHBondContact O-N 3.29Å; S148-Q153 PolarHBondContact O-N 3.33Å |
| 149 | E | 70.8 | Confident | 77.2 | Confident | 154 Ų | 154 | 117.2 Ų | 117.2 | 72% | 0.72 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -43.9 | -179.2 | -62.1 | -175.6 | -177.9 | 0 | 0 | 111.5 | D147 N151 L155 | D147-E149 PolarHBondContact O-N 3Å; E149-N151 VanDerWaalsContact C-N 3.28Å; E149-N151 PolarHBondContact O-N 3.27Å; E149-L155 HydrophobicContact CB-CD2 4.19Å; E149-L155 HydrophobicContact CG-CD1 3.59Å; E149-L155 HydrophobicContact CG-CD2 3.36Å; E149-L155 HydrophobicContact CG-CG 4.04Å |
| 150 | E | 73.2 | Confident | 76.6 | Confident | 153 Ų | 153 | 119.9 Ų | 119.9 | 72% | 0.715 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -22 | -177.7 | -64.2 | -172.6 | 163.9 | 0 | 0 | 113.2 | D147 | D147-E150 HydrophobicContact CB-CG 4.17Å; D147-E150 PolarHBondContact O-N 3.16Å |
| 151 | N | 77.7 | Confident | 76.2 | Confident | 78 Ų | 78 | 115.4 Ų | 115.4 | 42% | 0.417 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.3 | 15.9 | -173.8 | -67.1 | -67 | 0 | 0 | 0 | 113.5 | W146 D147 S148 E149 Q153 | W146-N151 HydrophobicContact CZ2-CB 4.07Å; D147-N151 PolarHBondContact O-ND2 3.39Å; S148-N151 PolarHBondContact O-N 3.29Å; E149-N151 VanDerWaalsContact C-N 3.28Å; E149-N151 PolarHBondContact O-N 3.27Å; N151-Q153 PolarHBondContact O-N 3.12Å |
| 152 | E | 70.6 | Confident | 75.8 | Confident | 189 Ų | 189 | 116 Ų | 116 | 88% | 0.883 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.6 | 21 | 179.2 | -58.7 | 177.3 | 175.9 | 0 | 0 | 113.8 | ||
| 153 | Q | 71.6 | Confident | 75.5 | Confident | 123 Ų | 123 | 118.7 Ų | 118.7 | 58% | 0.575 | 58% | 0.581 | S | S | * | * | trans | -82.1 | 135.7 | 174.5 | -170 | 67 | 29.7 | 0 | 0 | 108.1 | S148 N151 L155 | S148-Q153 PolarHBondContact O-N 3.33Å; N151-Q153 PolarHBondContact O-N 3.12Å; Q153-L155 PolarHBondContact O-N 3.25Å | ||
| 154 | I | 66.8 | Low | 75.6 | Confident | 144 Ų | 144 | 118 Ų | 118 | 74% | 0.738 | 57% | 0.57 | S | S | * | * | trans | -49.4 | 115.3 | 175.4 | -57.2 | 163.8 | 0 | 0 | 0 | 108.6 | I156 | I154-I156 PolarHBondContact O-N 2.87Å; I154-I156 VanDerWaalsContact O-N 3.1Å | ||
| 155 | L | 63.6 | Low | 76 | Confident | 93 Ų | 93 | 113.2 Ų | 113.2 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | trans | -66.7 | 111.8 | 177.7 | -63 | 171.7 | 0 | 0 | 0 | 108.5 | E149 Q153 A157 | E149-L155 HydrophobicContact CB-CD2 4.19Å; E149-L155 HydrophobicContact CG-CD1 3.59Å; E149-L155 HydrophobicContact CG-CD2 3.36Å; E149-L155 HydrophobicContact CG-CG 4.04Å; Q153-L155 PolarHBondContact O-N 3.25Å; L155-A157 PolarHBondContact O-N 3.45Å | ||
| 156 | I | 65.1 | Low | 76.6 | Confident | 137 Ų | 137 | 109.4 Ų | 109.4 | 70% | 0.703 | 55% | 0.548 | S | S | * | . | trans | -74.8 | 116.8 | 171.1 | -56.8 | 172.3 | 0 | 0 | 0 | 106.9 | I154 | I154-I156 PolarHBondContact O-N 2.87Å; I154-I156 VanDerWaalsContact O-N 3.1Å | ||
| 157 | A | 63.7 | Low | 77.6 | Confident | 25 Ų | 25 | 105.8 Ų | 105.8 | 21% | 0.207 | 55% | 0.547 | C | S | . | . | S | Bend | trans | 63.1 | 131.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | L155 E161 L165 | L155-A157 PolarHBondContact O-N 3.45Å; A157-E161 VanDerWaalsContact CA-OE2 3.26Å; A157-E161 WeakPolarHBondContact CA-OE2 3.33Å; A157-E161 HydrophobicContact CB-CB 3.39Å; A157-E161 HydrophobicContact CB-CG 4.44Å; A157-E161 WeakPolarHBondContact CB-OE2 3.43Å; A157-L165 HydrophobicContact CB-CD1 4.24Å |
| 158 | N | 77.8 | Confident | 78.7 | Confident | 107 Ų | 107 | 105.9 Ų | 105.9 | 57% | 0.572 | 55% | 0.548 | S | S | * | . | trans | -46.4 | 150.7 | 164.5 | -70.3 | -57.3 | 0 | 0 | 0 | 110.3 | S160 E161 K162 | N158-S160 WeakPolarHBondContact CB-OG 3.44Å; N158-S160 CarbonylContact O-C 3.53Å; N158-S160 PolarHBondContact O-N 3.41Å; N158-E161 HydrophobicContact CB-CG 4.38Å; N158-E161 PolarHBondContact ND2-OE1 3.04Å; N158-E161 WeakPolarHBondContact O-CA 3.48Å; N158-E161 WeakPolarHBondContact O-CB 3.4Å; N158-E161 PolarHBondContact O-N 2.91Å; N158-K162 PolarHBondContact O-N 2.86Å | ||
| 159 | H | 79.6 | Confident | 79.9 | Confident | 162 Ų | 162 | 107.4 Ų | 107.4 | 75% | 0.75 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -51.5 | -32.8 | 178.8 | -177 | 71.4 | 0 | 0 | 0 | 112.6 | K163 | H159-K163 WeakPolarHBondContact O-CB 3.39Å; H159-K163 PolarHBondContact O-N 3.44Å; H159-K163 VanDerWaalsContact O-N 3.08Å |
| 160 | S | 84.5 | Confident | 81 | Confident | 66 Ų | 66 | 106.3 Ų | 106.3 | 46% | 0.462 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.4 | -52.6 | 171.4 | 49.7 | 0 | 0 | 0 | 0 | 113 | N158 K163 Q164 | N158-S160 WeakPolarHBondContact CB-OG 3.44Å; N158-S160 CarbonylContact O-C 3.53Å; N158-S160 PolarHBondContact O-N 3.41Å; S160-K163 WeakPolarHBondContact O-CB 3.27Å; S160-K163 PolarHBondContact O-N 2.95Å; S160-Q164 WeakPolarHBondContact O-CG 3.41Å; S160-Q164 PolarHBondContact O-N 3.41Å |
| 161 | E | 86 | Confident | 82 | Confident | 55 Ų | 55 | 101.9 Ų | 101.9 | 26% | 0.257 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 178.5 | -74.3 | 166.7 | -142.4 | 0 | 0 | 111.2 | A157 N158 K163 Q164 L165 | A157-E161 VanDerWaalsContact CA-OE2 3.26Å; A157-E161 WeakPolarHBondContact CA-OE2 3.33Å; A157-E161 HydrophobicContact CB-CB 3.39Å; A157-E161 HydrophobicContact CB-CG 4.44Å; A157-E161 WeakPolarHBondContact CB-OE2 3.43Å; N158-E161 HydrophobicContact CB-CG 4.38Å; N158-E161 PolarHBondContact ND2-OE1 3.04Å; N158-E161 WeakPolarHBondContact O-CA 3.48Å; N158-E161 WeakPolarHBondContact O-CB 3.4Å; N158-E161 PolarHBondContact O-N 2.91Å; E161-K163 VanDerWaalsContact C-N 3.28Å; E161-K163 PolarHBondContact O-N 2.75Å; E161-Q164 CarbonylContact O-C 3.57Å; E161-Q164 WeakPolarHBondContact O-CB 3.32Å; E161-Q164 PolarHBondContact O-N 3.43Å; E161-Q164 VanDerWaalsContact O-N 3.11Å; E161-L165 WeakPolarHBondContact O-CB 3.36Å; E161-L165 VanDerWaalsContact O-CG 3.31Å; E161-L165 WeakPolarHBondContact O-CG 3.42Å; E161-L165 PolarHBondContact O-N 3.37Å |
| 162 | K | 86.1 | Confident | 82.8 | Confident | 141 Ų | 141 | 103.1 Ų | 103.1 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.2 | -39.5 | 174.5 | -174.8 | 174.8 | -177.3 | 172.7 | 0 | 111.9 | N158 A166 | N158-K162 PolarHBondContact O-N 2.86Å; K162-A166 WeakPolarHBondContact O-CB 3.44Å; K162-A166 PolarHBondContact O-N 2.79Å |
| 163 | K | 88.2 | Confident | 84 | Confident | 139 Ų | 139 | 99.3 Ų | 99.3 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.7 | -40.1 | 174.9 | -174.3 | -179.5 | 177.9 | -176.2 | 0 | 111.4 | H159 S160 E161 A166 T167 | H159-K163 WeakPolarHBondContact O-CB 3.39Å; H159-K163 PolarHBondContact O-N 3.44Å; H159-K163 VanDerWaalsContact O-N 3.08Å; S160-K163 WeakPolarHBondContact O-CB 3.27Å; S160-K163 PolarHBondContact O-N 2.95Å; E161-K163 VanDerWaalsContact C-N 3.28Å; E161-K163 PolarHBondContact O-N 2.75Å; K163-A166 PolarHBondContact O-N 2.66Å; K163-T167 WeakPolarHBondContact O-CB 3.28Å; K163-T167 PolarHBondContact O-N 3.13Å; K163-T167 PolarHBondContact O-OG1 2.98Å |
| 164 | Q | 89.4 | Confident | 85.1 | Confident | 94 Ų | 94 | 98.8 Ų | 98.8 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -48.3 | 176.1 | -72.7 | 174 | -1.5 | 0 | 0 | 111.3 | S160 E161 A166 T167 D168 Y171 | S160-Q164 WeakPolarHBondContact O-CG 3.41Å; S160-Q164 PolarHBondContact O-N 3.41Å; E161-Q164 CarbonylContact O-C 3.57Å; E161-Q164 WeakPolarHBondContact O-CB 3.32Å; E161-Q164 PolarHBondContact O-N 3.43Å; E161-Q164 VanDerWaalsContact O-N 3.11Å; Q164-A166 PolarHBondContact O-N 3.45Å; Q164-A166 VanDerWaalsContact O-N 3.16Å; Q164-T167 PolarHBondContact O-N 3.5Å; Q164-T167 VanDerWaalsContact O-N 3.11Å; Q164-D168 PolarHBondContact O-N 3.31Å; Q164-Y171 HydrophobicContact CB-CD1 3.81Å; Q164-Y171 HydrophobicContact CB-CE1 3.91Å; Q164-Y171 HydrophobicContact CB-CG 4.41Å |
| 165 | L | 89.6 | Confident | 86.3 | Confident | 35 Ų | 35 | 93.6 Ų | 93.6 | 18% | 0.183 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -55.8 | -31.7 | 174.3 | -71.1 | 169.3 | 0 | 0 | 0 | 113 | A157 E161 Y171 H172 H175 | A157-L165 HydrophobicContact CB-CD1 4.24Å; E161-L165 WeakPolarHBondContact O-CB 3.36Å; E161-L165 VanDerWaalsContact O-CG 3.31Å; E161-L165 WeakPolarHBondContact O-CG 3.42Å; E161-L165 PolarHBondContact O-N 3.37Å; L165-Y171 HydrophobicContact CD2-CD1 3.74Å; L165-Y171 HydrophobicContact CD2-CE1 3.67Å; L165-Y171 HydrophobicContact CG-CD1 4.07Å; L165-Y171 HydrophobicContact CG-CE1 3.79Å; L165-H172 HydrophobicContact CD2-CB 4.45Å; L165-H175 HydrophobicContact CD2-CB 3.72Å |
| 166 | A | 90.7 | Very high | 87.7 | Confident | 86 Ų | 86 | 91 Ų | 91 | 71% | 0.711 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -85.5 | -28.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | K162 K163 Q164 | K162-A166 WeakPolarHBondContact O-CB 3.44Å; K162-A166 PolarHBondContact O-N 2.79Å; K163-A166 PolarHBondContact O-N 2.66Å; Q164-A166 PolarHBondContact O-N 3.45Å; Q164-A166 VanDerWaalsContact O-N 3.16Å |
| 167 | T | 92.6 | Very high | 89.1 | Confident | 114 Ų | 114 | 87.9 Ų | 87.9 | 70% | 0.699 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -97 | -39.6 | -173 | -48.8 | 0 | 0 | 0 | 0 | 112 | K163 Q164 | K163-T167 WeakPolarHBondContact O-CB 3.28Å; K163-T167 PolarHBondContact O-N 3.13Å; K163-T167 PolarHBondContact O-OG1 2.98Å; Q164-T167 PolarHBondContact O-N 3.5Å; Q164-T167 VanDerWaalsContact O-N 3.11Å |
| 168 | D | 94.5 | Very high | 90.6 | Very high | 78 Ų | 78 | 89.4 Ų | 89.4 | 42% | 0.417 | 48% | 0.479 | S | S | . | . | trans | -107.6 | 113.6 | -174.5 | -175.8 | 2.7 | 0 | 0 | 0 | 111.4 | Q164 M170 H172 | Q164-D168 PolarHBondContact O-N 3.31Å; D168-M170 VanDerWaalsContact C-N 3.35Å; D168-M170 PolarHBondContact OD1-N 3.01Å; D168-H172 PolarHBondContact O-N 3.29Å; D168-H172 VanDerWaalsContact O-N 3.17Å | ||
| 169 | A | 94.9 | Very high | 91.3 | Very high | 82 Ų | 82 | 87.4 Ų | 87.4 | 68% | 0.678 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69.1 | -30.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | L173 | A169-L173 PolarHBondContact O-N 3.15Å |
| 170 | M | 95.7 | Very high | 92 | Very high | 132 Ų | 132 | 87 Ų | 87 | 65% | 0.65 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71.1 | -47.6 | 178.5 | -70.5 | -174.2 | 63.2 | 0 | 0 | 110.4 | D168 H172 L173 E174 | D168-M170 VanDerWaalsContact C-N 3.35Å; D168-M170 PolarHBondContact OD1-N 3.01Å; M170-H172 VanDerWaalsContact C-N 3.31Å; M170-H172 PolarHBondContact O-N 3.01Å; M170-L173 PolarHBondContact O-N 3.05Å; M170-L173 VanDerWaalsContact O-N 3.08Å; M170-E174 WeakPolarHBondContact O-CG 3.31Å; M170-E174 PolarHBondContact O-N 3.43Å |
| 171 | Y | 93.9 | Very high | 92.5 | Very high | 59 Ų | 59 | 88.5 Ų | 88.5 | 23% | 0.231 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -57 | -42.9 | 175.1 | -175.8 | -100.4 | 0 | 0 | 0 | 112.3 | Q164 L165 L173 E174 H175 | Q164-Y171 HydrophobicContact CB-CD1 3.81Å; Q164-Y171 HydrophobicContact CB-CE1 3.91Å; Q164-Y171 HydrophobicContact CB-CG 4.41Å; L165-Y171 HydrophobicContact CD2-CD1 3.74Å; L165-Y171 HydrophobicContact CD2-CE1 3.67Å; L165-Y171 HydrophobicContact CG-CD1 4.07Å; L165-Y171 HydrophobicContact CG-CE1 3.79Å; Y171-L173 VanDerWaalsContact C-N 3.34Å; Y171-L173 PolarHBondContact O-N 3.25Å; Y171-E174 PolarHBondContact O-N 3.09Å; Y171-H175 VanDerWaalsContact O-CB 3.25Å; Y171-H175 WeakPolarHBondContact O-CB 3.43Å; Y171-H175 PolarHBondContact O-N 2.86Å |
| 172 | H | 93.8 | Very high | 93 | Very high | 104 Ų | 104 | 90.9 Ų | 90.9 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 175.3 | -179.6 | -76.8 | 0 | 0 | 0 | 112.5 | L165 D168 M170 S176 | L165-H172 HydrophobicContact CD2-CB 4.45Å; D168-H172 PolarHBondContact O-N 3.29Å; D168-H172 VanDerWaalsContact O-N 3.17Å; M170-H172 VanDerWaalsContact C-N 3.31Å; M170-H172 PolarHBondContact O-N 3.01Å; H172-S176 WeakPolarHBondContact O-CB 3.26Å; H172-S176 PolarHBondContact O-N 3.19Å; H172-S176 PolarHBondContact O-OG 3.08Å |
| 173 | L | 95.4 | Very high | 93.3 | Very high | 109 Ų | 109 | 86.8 Ų | 86.8 | 57% | 0.571 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.6 | -48.6 | 179 | -170 | 150.5 | 0 | 0 | 0 | 110.9 | A169 M170 Y171 S176 V177 | A169-L173 PolarHBondContact O-N 3.15Å; M170-L173 PolarHBondContact O-N 3.05Å; M170-L173 VanDerWaalsContact O-N 3.08Å; Y171-L173 VanDerWaalsContact C-N 3.34Å; Y171-L173 PolarHBondContact O-N 3.25Å; L173-S176 PolarHBondContact O-N 3.3Å; L173-S176 PolarHBondContact O-OG 3.49Å; L173-V177 HydrophobicContact CD2-CG2 4.31Å; L173-V177 WeakPolarHBondContact O-CG2 3.34Å; L173-V177 PolarHBondContact O-N 3.17Å; L173-V177 VanDerWaalsContact O-N 3.07Å |
| 174 | E | 94.5 | Very high | 93.7 | Very high | 112 Ų | 112 | 83.3 Ų | 83.3 | 52% | 0.523 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 177.2 | -70.1 | 175.7 | -179.1 | 0 | 0 | 111.4 | M170 Y171 S176 V177 T178 | M170-E174 WeakPolarHBondContact O-CG 3.31Å; M170-E174 PolarHBondContact O-N 3.43Å; Y171-E174 PolarHBondContact O-N 3.09Å; E174-S176 VanDerWaalsContact C-N 3.32Å; E174-S176 PolarHBondContact O-N 2.92Å; E174-V177 WeakPolarHBondContact O-CB 3.5Å; E174-V177 PolarHBondContact O-N 2.92Å; E174-V177 VanDerWaalsContact O-N 3.07Å; E174-T178 WeakPolarHBondContact O-CG2 3.29Å; E174-T178 PolarHBondContact O-N 3.17Å |
| 175 | H | 92.4 | Very high | 94 | Very high | 36 Ų | 36 | 85 Ų | 85 | 17% | 0.167 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 176.4 | -168.5 | 81.9 | 0 | 0 | 0 | 111.4 | L165 Y171 V177 T178 D179 | L165-H175 HydrophobicContact CD2-CB 3.72Å; Y171-H175 VanDerWaalsContact O-CB 3.25Å; Y171-H175 WeakPolarHBondContact O-CB 3.43Å; Y171-H175 PolarHBondContact O-N 2.86Å; H175-V177 VanDerWaalsContact C-N 3.25Å; H175-V177 PolarHBondContact O-N 3.27Å; H175-T178 WeakPolarHBondContact CA-OG1 3.35Å; H175-T178 PolarHBondContact O-N 2.88Å; H175-T178 VanDerWaalsContact O-N 3.09Å; H175-T178 PolarHBondContact O-OG1 3.11Å; H175-D179 IonicContact CD2-OD2 3.88Å; H175-D179 PolarHBondContact CD2-OD2 3.37Å; H175-D179 IonicContact NE2-OD1 2.77Å; H175-D179 IonicContact NE2-OD2 3.54Å; H175-D179 PolarHBondContact NE2-OD2 3.49Å; H175-D179 PolarHBondContact O-N 3.45Å |
| 176 | S | 92.4 | Very high | 94.3 | Very high | 38 Ų | 38 | 87.9 Ų | 87.9 | 27% | 0.266 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -31.2 | 178.1 | 79.7 | 0 | 0 | 0 | 0 | 113.5 | H172 L173 E174 K180 | H172-S176 WeakPolarHBondContact O-CB 3.26Å; H172-S176 PolarHBondContact O-N 3.19Å; H172-S176 PolarHBondContact O-OG 3.08Å; L173-S176 PolarHBondContact O-N 3.3Å; L173-S176 PolarHBondContact O-OG 3.49Å; E174-S176 VanDerWaalsContact C-N 3.32Å; E174-S176 PolarHBondContact O-N 2.92Å; S176-K180 VanDerWaalsContact O-CG 3.29Å; S176-K180 WeakPolarHBondContact O-CG 3.44Å; S176-K180 PolarHBondContact O-N 3.25Å |
| 177 | V | 96.2 | Very high | 94.5 | Very high | 71 Ų | 71 | 87.8 Ų | 87.8 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.7 | -44.6 | 173.7 | 173.9 | 0 | 0 | 0 | 0 | 110 | L173 E174 H175 D179 K180 M181 | L173-V177 HydrophobicContact CD2-CG2 4.31Å; L173-V177 WeakPolarHBondContact O-CG2 3.34Å; L173-V177 PolarHBondContact O-N 3.17Å; L173-V177 VanDerWaalsContact O-N 3.07Å; E174-V177 WeakPolarHBondContact O-CB 3.5Å; E174-V177 PolarHBondContact O-N 2.92Å; E174-V177 VanDerWaalsContact O-N 3.07Å; H175-V177 VanDerWaalsContact C-N 3.25Å; H175-V177 PolarHBondContact O-N 3.27Å; V177-D179 VanDerWaalsContact C-N 3.3Å; V177-D179 PolarHBondContact O-N 3.39Å; V177-K180 WeakPolarHBondContact O-CB 3.46Å; V177-K180 PolarHBondContact O-N 3.21Å; V177-M181 HydrophobicContact CG1-SD 4.47Å; V177-M181 WeakPolarHBondContact O-CG 3.29Å; V177-M181 PolarHBondContact O-N 3.12Å |
| 178 | T | 93.5 | Very high | 94.7 | Very high | 57 Ų | 57 | 85.2 Ų | 85.2 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 177.1 | 64.9 | 0 | 0 | 0 | 0 | 112.5 | E174 H175 M181 K182 | E174-T178 WeakPolarHBondContact O-CG2 3.29Å; E174-T178 PolarHBondContact O-N 3.17Å; H175-T178 WeakPolarHBondContact CA-OG1 3.35Å; H175-T178 PolarHBondContact O-N 2.88Å; H175-T178 VanDerWaalsContact O-N 3.09Å; H175-T178 PolarHBondContact O-OG1 3.11Å; T178-M181 WeakPolarHBondContact O-CB 3.37Å; T178-M181 PolarHBondContact O-N 2.89Å; T178-K182 WeakPolarHBondContact O-CG 3.49Å; T178-K182 PolarHBondContact O-N 3.42Å |
| 179 | D | 92.8 | Very high | 94.7 | Very high | 66 Ų | 66 | 83.9 Ų | 83.9 | 35% | 0.353 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 177.3 | -71.1 | -17.9 | 0 | 0 | 0 | 111.9 | H175 V177 M181 K182 A183 | H175-D179 IonicContact CD2-OD2 3.88Å; H175-D179 PolarHBondContact CD2-OD2 3.37Å; H175-D179 IonicContact NE2-OD1 2.77Å; H175-D179 IonicContact NE2-OD2 3.54Å; H175-D179 PolarHBondContact NE2-OD2 3.49Å; H175-D179 PolarHBondContact O-N 3.45Å; V177-D179 VanDerWaalsContact C-N 3.3Å; V177-D179 PolarHBondContact O-N 3.39Å; D179-M181 VanDerWaalsContact C-N 3.32Å; D179-K182 PolarHBondContact O-N 3.16Å; D179-K182 IonicContact OD1-NZ 2.7Å; D179-A183 WeakPolarHBondContact O-CB 3.5Å; D179-A183 PolarHBondContact O-N 3.05Å |
| 180 | K | 95.5 | Very high | 94.7 | Very high | 152 Ų | 152 | 84.6 Ų | 84.6 | 66% | 0.661 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.2 | -39.5 | 171.8 | -73.7 | 172.5 | -177.3 | 178.4 | 0 | 111.7 | S176 V177 A183 S184 | S176-K180 VanDerWaalsContact O-CG 3.29Å; S176-K180 WeakPolarHBondContact O-CG 3.44Å; S176-K180 PolarHBondContact O-N 3.25Å; V177-K180 WeakPolarHBondContact O-CB 3.46Å; V177-K180 PolarHBondContact O-N 3.21Å; K180-A183 PolarHBondContact O-N 3.4Å; K180-S184 PolarHBondContact O-N 3.22Å |
| 181 | M | 95.6 | Very high | 94.7 | Very high | 99 Ų | 99 | 83.4 Ų | 83.4 | 49% | 0.488 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.3 | -51.7 | 175.3 | -74 | 177.8 | 45 | 0 | 0 | 111.5 | V177 T178 D179 A183 S184 E185 | V177-M181 HydrophobicContact CG1-SD 4.47Å; V177-M181 WeakPolarHBondContact O-CG 3.29Å; V177-M181 PolarHBondContact O-N 3.12Å; T178-M181 WeakPolarHBondContact O-CB 3.37Å; T178-M181 PolarHBondContact O-N 2.89Å; D179-M181 VanDerWaalsContact C-N 3.32Å; M181-A183 VanDerWaalsContact C-N 3.26Å; M181-A183 PolarHBondContact O-N 3.15Å; M181-S184 WeakPolarHBondContact O-CA 3.45Å; M181-S184 WeakPolarHBondContact O-CB 3.44Å; M181-S184 PolarHBondContact O-N 3.31Å; M181-S184 PolarHBondContact O-OG 3.46Å; M181-E185 WeakPolarHBondContact O-CG 3.24Å; M181-E185 PolarHBondContact O-N 3.44Å |
| 182 | K | 94.6 | Very high | 94.7 | Very high | 105 Ų | 105 | 86.7 Ų | 86.7 | 46% | 0.457 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -54.8 | -43.1 | 175.1 | -68.8 | 170.3 | -169.8 | 162.7 | 0 | 111.6 | T178 D179 S184 E185 I186 | T178-K182 WeakPolarHBondContact O-CG 3.49Å; T178-K182 PolarHBondContact O-N 3.42Å; D179-K182 PolarHBondContact O-N 3.16Å; D179-K182 IonicContact OD1-NZ 2.7Å; K182-S184 VanDerWaalsContact C-N 3.34Å; K182-S184 PolarHBondContact O-N 3.15Å; K182-E185 PolarHBondContact O-N 2.92Å; K182-I186 WeakPolarHBondContact O-CD1 3.44Å; K182-I186 VanDerWaalsContact O-CG1 3.26Å; K182-I186 WeakPolarHBondContact O-CG1 3.23Å; K182-I186 PolarHBondContact O-N 3.35Å; K182-I186 VanDerWaalsContact O-N 3.15Å |
| 183 | A | 94.2 | Very high | 94.7 | Very high | 54 Ų | 54 | 86.6 Ų | 86.6 | 45% | 0.446 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D179 K180 M181 E185 I186 I187 | D179-A183 WeakPolarHBondContact O-CB 3.5Å; D179-A183 PolarHBondContact O-N 3.05Å; K180-A183 PolarHBondContact O-N 3.4Å; M181-A183 VanDerWaalsContact C-N 3.26Å; M181-A183 PolarHBondContact O-N 3.15Å; A183-E185 PolarHBondContact O-N 3.41Å; A183-I186 PolarHBondContact O-N 3.14Å; A183-I187 WeakPolarHBondContact O-CG1 3.29Å; A183-I187 PolarHBondContact O-N 3.49Å |
| 184 | S | 95.8 | Very high | 94.5 | Very high | 67 Ų | 67 | 87.5 Ų | 87.5 | 47% | 0.469 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 178.1 | 71.1 | 0 | 0 | 0 | 0 | 114 | K180 M181 K182 I186 P188 | K180-S184 PolarHBondContact O-N 3.22Å; M181-S184 WeakPolarHBondContact O-CA 3.45Å; M181-S184 WeakPolarHBondContact O-CB 3.44Å; M181-S184 PolarHBondContact O-N 3.31Å; M181-S184 PolarHBondContact O-OG 3.46Å; K182-S184 VanDerWaalsContact C-N 3.34Å; K182-S184 PolarHBondContact O-N 3.15Å; S184-I186 VanDerWaalsContact C-N 3.33Å; S184-P188 VanDerWaalsContact O-CD 3.31Å; S184-P188 WeakPolarHBondContact O-CD 3.39Å |
| 185 | E | 95.9 | Very high | 94.3 | Very high | 128 Ų | 128 | 87.5 Ų | 87.5 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.7 | -33.8 | 176.1 | -70.9 | 170.3 | -173.3 | 0 | 0 | 112.1 | M181 K182 A183 P188 | M181-E185 WeakPolarHBondContact O-CG 3.24Å; M181-E185 PolarHBondContact O-N 3.44Å; K182-E185 PolarHBondContact O-N 2.92Å; A183-E185 PolarHBondContact O-N 3.41Å; E185-P188 VanDerWaalsContact O-CD 3.29Å; E185-P188 WeakPolarHBondContact O-CD 3.15Å; E185-P188 VanDerWaalsContact O-CG 3.28Å; E185-P188 WeakPolarHBondContact O-CG 2.92Å |
| 186 | I | 95.1 | Very high | 94.1 | Very high | 96 Ų | 96 | 90.5 Ų | 90.5 | 49% | 0.492 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -80.8 | -26.3 | -178.6 | -65.3 | 165.8 | 0 | 0 | 0 | 112.3 | K182 A183 S184 A189 I190 | K182-I186 WeakPolarHBondContact O-CD1 3.44Å; K182-I186 VanDerWaalsContact O-CG1 3.26Å; K182-I186 WeakPolarHBondContact O-CG1 3.23Å; K182-I186 PolarHBondContact O-N 3.35Å; K182-I186 VanDerWaalsContact O-N 3.15Å; A183-I186 PolarHBondContact O-N 3.14Å; S184-I186 VanDerWaalsContact C-N 3.33Å; I186-A189 PolarHBondContact O-N 2.66Å; I186-A189 VanDerWaalsContact O-N 3.15Å; I186-I190 HydrophobicContact CG2-CD1 3.74Å; I186-I190 HydrophobicContact CG2-CG1 3.94Å; I186-I190 PolarHBondContact O-N 2.96Å |
| 187 | I | 96 | Very high | 93.9 | Very high | 84 Ų | 84 | 98 Ų | 98 | 43% | 0.431 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -49.6 | -50.5 | 179.3 | -73.4 | 168.4 | 0 | 0 | 0 | 113.8 | A183 A189 I190 Q191 | A183-I187 WeakPolarHBondContact O-CG1 3.29Å; A183-I187 PolarHBondContact O-N 3.49Å; I187-A189 VanDerWaalsContact C-N 3.33Å; I187-A189 PolarHBondContact O-N 2.97Å; I187-I190 PolarHBondContact O-N 3.47Å; I187-I190 VanDerWaalsContact O-N 3.16Å; I187-Q191 HydrophobicContact CG2-CG 4.25Å; I187-Q191 WeakPolarHBondContact O-CG 3.43Å; I187-Q191 PolarHBondContact O-N 2.92Å |
| 188 | P | 96.4 | Very high | 93.3 | Very high | 60 Ų | 60 | 99.8 Ų | 99.8 | 39% | 0.39 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 179.8 | 22.1 | -34.1 | 0 | 0 | 0 | 112.5 | S184 E185 I190 Q191 E192 | S184-P188 VanDerWaalsContact O-CD 3.31Å; S184-P188 WeakPolarHBondContact O-CD 3.39Å; E185-P188 VanDerWaalsContact O-CD 3.29Å; E185-P188 WeakPolarHBondContact O-CD 3.15Å; E185-P188 VanDerWaalsContact O-CG 3.28Å; E185-P188 WeakPolarHBondContact O-CG 2.92Å; P188-I190 VanDerWaalsContact C-N 3.33Å; P188-I190 PolarHBondContact O-N 3.28Å; P188-Q191 WeakPolarHBondContact O-CB 3.34Å; P188-Q191 PolarHBondContact O-N 2.91Å; P188-Q191 VanDerWaalsContact O-N 3.12Å; P188-E192 WeakPolarHBondContact O-CG 3.48Å; P188-E192 PolarHBondContact O-N 3.48Å |
| 189 | A | 95.1 | Very high | 92.7 | Very high | 50 Ų | 50 | 100 Ų | 100 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | I186 I187 Q191 E192 V193 | I186-A189 PolarHBondContact O-N 2.66Å; I186-A189 VanDerWaalsContact O-N 3.15Å; I187-A189 VanDerWaalsContact C-N 3.33Å; I187-A189 PolarHBondContact O-N 2.97Å; A189-Q191 VanDerWaalsContact C-N 3.35Å; A189-E192 PolarHBondContact O-N 3.48Å; A189-V193 WeakPolarHBondContact O-CG2 3.44Å; A189-V193 PolarHBondContact O-N 2.98Å |
| 190 | I | 95 | Very high | 92.2 | Very high | 98 Ų | 98 | 101.7 Ų | 101.7 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 173.1 | -65.9 | 172.5 | 0 | 0 | 0 | 110.9 | I186 I187 P188 V193 Q194 | I186-I190 HydrophobicContact CG2-CD1 3.74Å; I186-I190 HydrophobicContact CG2-CG1 3.94Å; I186-I190 PolarHBondContact O-N 2.96Å; I187-I190 PolarHBondContact O-N 3.47Å; I187-I190 VanDerWaalsContact O-N 3.16Å; P188-I190 VanDerWaalsContact C-N 3.33Å; P188-I190 PolarHBondContact O-N 3.28Å; I190-V193 PolarHBondContact O-N 3.44Å; I190-Q194 WeakPolarHBondContact O-CB 3.25Å; I190-Q194 PolarHBondContact O-N 2.98Å |
| 191 | Q | 95 | Very high | 91.7 | Very high | 107 Ų | 107 | 101.7 Ų | 101.7 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 177.4 | -72.4 | 174.5 | -13.4 | 0 | 0 | 111.7 | I187 P188 A189 Q194 I195 | I187-Q191 HydrophobicContact CG2-CG 4.25Å; I187-Q191 WeakPolarHBondContact O-CG 3.43Å; I187-Q191 PolarHBondContact O-N 2.92Å; P188-Q191 WeakPolarHBondContact O-CB 3.34Å; P188-Q191 PolarHBondContact O-N 2.91Å; P188-Q191 VanDerWaalsContact O-N 3.12Å; A189-Q191 VanDerWaalsContact C-N 3.35Å; Q191-Q194 WeakPolarHBondContact O-CB 3.44Å; Q191-Q194 PolarHBondContact O-N 2.88Å; Q191-I195 VanDerWaalsContact O-CG1 3.27Å; Q191-I195 WeakPolarHBondContact O-CG1 3.33Å; Q191-I195 PolarHBondContact O-N 3.43Å |
| 192 | E | 93.6 | Very high | 91.3 | Very high | 128 Ų | 128 | 100.5 Ų | 100.5 | 60% | 0.598 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.4 | -50.9 | 173.3 | -73.2 | 174.4 | -175.4 | 0 | 0 | 111.2 | P188 A189 Q194 I195 D196 | P188-E192 WeakPolarHBondContact O-CG 3.48Å; P188-E192 PolarHBondContact O-N 3.48Å; A189-E192 PolarHBondContact O-N 3.48Å; E192-Q194 PolarHBondContact O-N 2.97Å; E192-I195 PolarHBondContact O-N 3.37Å; E192-I195 VanDerWaalsContact O-N 3.11Å; E192-D196 PolarHBondContact O-N 3.45Å |
| 193 | V | 93.1 | Very high | 91.1 | Very high | 102 Ų | 102 | 101 Ų | 101 | 62% | 0.618 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.1 | -35.7 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | A189 I190 R197 | A189-V193 WeakPolarHBondContact O-CG2 3.44Å; A189-V193 PolarHBondContact O-N 2.98Å; I190-V193 PolarHBondContact O-N 3.44Å; V193-R197 PolarHBondContact O-N 3.26Å; V193-R197 VanDerWaalsContact O-N 3.09Å |
| 194 | Q | 92.1 | Very high | 90.9 | Very high | 128 Ų | 128 | 105.2 Ų | 105.2 | 60% | 0.598 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.2 | -37.6 | 177 | -175.3 | 172.6 | -18.6 | 0 | 0 | 112.4 | I190 Q191 E192 R197 | I190-Q194 WeakPolarHBondContact O-CB 3.25Å; I190-Q194 PolarHBondContact O-N 2.98Å; Q191-Q194 WeakPolarHBondContact O-CB 3.44Å; Q191-Q194 PolarHBondContact O-N 2.88Å; E192-Q194 PolarHBondContact O-N 2.97Å; Q194-R197 WeakPolarHBondContact O-CB 3.21Å; Q194-R197 PolarHBondContact O-N 3.22Å |
| 195 | I | 90.9 | Very high | 90.7 | Very high | 111 Ų | 111 | 104.5 Ų | 104.5 | 57% | 0.569 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.4 | -44.7 | 174.7 | -68.7 | 163.1 | 0 | 0 | 0 | 109.9 | Q191 E192 R197 L198 G199 | Q191-I195 VanDerWaalsContact O-CG1 3.27Å; Q191-I195 WeakPolarHBondContact O-CG1 3.33Å; Q191-I195 PolarHBondContact O-N 3.43Å; E192-I195 PolarHBondContact O-N 3.37Å; E192-I195 VanDerWaalsContact O-N 3.11Å; I195-R197 PolarHBondContact O-N 2.96Å; I195-L198 WeakPolarHBondContact O-CB 3.26Å; I195-L198 PolarHBondContact O-N 3.38Å; I195-G199 PolarHBondContact O-N 2.88Å |
| 196 | D | 88.1 | Confident | 90.4 | Very high | 99 Ų | 99 | 101.4 Ų | 101.4 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.7 | -39.5 | 176.3 | -76.3 | -11.5 | 0 | 0 | 0 | 111.6 | E192 L198 G199 H200 | E192-D196 PolarHBondContact O-N 3.45Å; D196-L198 VanDerWaalsContact C-N 3.25Å; D196-L198 PolarHBondContact O-N 3.18Å; D196-G199 WeakPolarHBondContact O-CA 3.44Å; D196-G199 PolarHBondContact O-N 3.06Å; D196-H200 PolarHBondContact O-CD2 3.14Å; D196-H200 PolarHBondContact O-N 3.19Å |
| 197 | R | 87.7 | Confident | 90.3 | Very high | 195 Ų | 195 | 100.6 Ų | 100.6 | 74% | 0.736 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.1 | -34 | 176.1 | -171.6 | 175.6 | 179.7 | 164.6 | 1.9 | 113.4 | V193 Q194 I195 G199 H200 | V193-R197 PolarHBondContact O-N 3.26Å; V193-R197 VanDerWaalsContact O-N 3.09Å; Q194-R197 WeakPolarHBondContact O-CB 3.21Å; Q194-R197 PolarHBondContact O-N 3.22Å; I195-R197 PolarHBondContact O-N 2.96Å; R197-G199 VanDerWaalsContact C-N 3.31Å; R197-H200 PolarHBondContact O-N 3.25Å; R197-H200 VanDerWaalsContact O-N 3.13Å |
| 198 | L | 83.5 | Confident | 90.2 | Very high | 110 Ų | 110 | 101.5 Ų | 101.5 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68 | -33.3 | 175.5 | -61.8 | 173.5 | 0 | 0 | 0 | 111.5 | I195 D196 H200 E201 | I195-L198 WeakPolarHBondContact O-CB 3.26Å; I195-L198 PolarHBondContact O-N 3.38Å; D196-L198 VanDerWaalsContact C-N 3.25Å; D196-L198 PolarHBondContact O-N 3.18Å; L198-H200 PolarHBondContact O-N 3.33Å; L198-E201 WeakPolarHBondContact O-CG 3.47Å; L198-E201 PolarHBondContact O-N 3.1Å |
| 199 | G | 80.3 | Confident | 90.1 | Very high | 60 Ų | 60 | 103 Ų | 103 | 62% | 0.619 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.4 | -17.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I195 D196 R197 | I195-G199 PolarHBondContact O-N 2.88Å; D196-G199 WeakPolarHBondContact O-CA 3.44Å; D196-G199 PolarHBondContact O-N 3.06Å; R197-G199 VanDerWaalsContact C-N 3.31Å |
| 200 | H | 83.7 | Confident | 90 | Very high | 102 Ų | 102 | 102.4 Ų | 102.4 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 11.6 | 179.5 | -61.6 | -59.4 | 0 | 0 | 0 | 115 | D196 R197 L198 D202 L206 | D196-H200 PolarHBondContact O-CD2 3.14Å; D196-H200 PolarHBondContact O-N 3.19Å; R197-H200 PolarHBondContact O-N 3.25Å; R197-H200 VanDerWaalsContact O-N 3.13Å; L198-H200 PolarHBondContact O-N 3.33Å; H200-D202 VanDerWaalsContact C-N 3.28Å; H200-D202 PolarHBondContact O-N 3.3Å; H200-L206 HydrophobicContact CB-CD1 4Å; H200-L206 WeakPolarHBondContact ND1-CD1 3.43Å |
| 201 | E | 83.4 | Confident | 90 | Very high | 152 Ų | 152 | 104.6 Ų | 104.6 | 71% | 0.71 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -65.1 | -28.6 | 177.9 | -72.2 | -178.9 | 178.4 | 0 | 0 | 113.6 | L198 D203 | L198-E201 WeakPolarHBondContact O-CG 3.47Å; L198-E201 PolarHBondContact O-N 3.1Å; E201-D203 PolarHBondContact O-N 2.87Å |
| 202 | D | 88.1 | Confident | 90.1 | Very high | 75 Ų | 75 | 105.1 Ų | 105.1 | 40% | 0.401 | 53% | 0.526 | S | S | . | . | trans | -97.9 | 80.7 | 179.5 | -173.2 | 5.4 | 0 | 0 | 0 | 112.3 | H200 F204 T205 L206 | H200-D202 VanDerWaalsContact C-N 3.28Å; H200-D202 PolarHBondContact O-N 3.3Å; D202-F204 PolarHBondContact O-N 3.23Å; D202-F204 VanDerWaalsContact O-N 3.12Å; D202-F204 PolarHBondContact OD1-N 3.37Å; D202-T205 WeakPolarHBondContact CB-OG1 3.41Å; D202-T205 PolarHBondContact O-N 3.49Å; D202-T205 PolarHBondContact O-OG1 3.41Å; D202-T205 PolarHBondContact OD1-N 2.77Å; D202-T205 WeakPolarHBondContact OD2-CB 3.47Å; D202-T205 WeakPolarHBondContact OD2-CG2 3.42Å; D202-T205 PolarHBondContact OD2-OG1 3.35Å; D202-L206 PolarHBondContact O-N 2.85Å | ||
| 203 | D | 89.4 | Confident | 90.3 | Very high | 114 Ų | 114 | 105.9 Ų | 105.9 | 61% | 0.61 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -52.6 | -33 | 175.7 | -71.6 | -23.6 | 0 | 0 | 0 | 112.8 | E201 N207 | E201-D203 PolarHBondContact O-N 2.87Å; D203-N207 VanDerWaalsContact O-CB 3.25Å; D203-N207 WeakPolarHBondContact O-CB 3.11Å; D203-N207 VanDerWaalsContact O-CG 3.31Å; D203-N207 PolarHBondContact O-N 3.02Å; D203-N207 PolarHBondContact O-ND2 3.09Å |
| 204 | F | 91 | Very high | 90.4 | Very high | 144 Ų | 144 | 108.5 Ų | 108.5 | 63% | 0.632 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71 | -47.2 | -174.9 | 179.1 | -94.2 | 0 | 0 | 0 | 111.4 | D202 N207 Q208 | D202-F204 PolarHBondContact O-N 3.23Å; D202-F204 VanDerWaalsContact O-N 3.12Å; D202-F204 PolarHBondContact OD1-N 3.37Å; F204-N207 PolarHBondContact O-N 3.04Å; F204-Q208 WeakPolarHBondContact O-CB 3.25Å; F204-Q208 PolarHBondContact O-N 3.04Å |
| 205 | T | 91 | Very high | 90.5 | Very high | 51 Ų | 51 | 109.7 Ų | 109.7 | 31% | 0.313 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68 | -39 | 179.4 | 51.9 | 0 | 0 | 0 | 0 | 112 | D202 Q208 I209 | D202-T205 WeakPolarHBondContact CB-OG1 3.41Å; D202-T205 PolarHBondContact O-N 3.49Å; D202-T205 PolarHBondContact O-OG1 3.41Å; D202-T205 PolarHBondContact OD1-N 2.77Å; D202-T205 WeakPolarHBondContact OD2-CB 3.47Å; D202-T205 WeakPolarHBondContact OD2-CG2 3.42Å; D202-T205 PolarHBondContact OD2-OG1 3.35Å; T205-Q208 WeakPolarHBondContact O-CB 3.37Å; T205-Q208 PolarHBondContact O-N 2.81Å; T205-I209 VanDerWaalsContact O-CG1 3.31Å; T205-I209 WeakPolarHBondContact O-CG1 3.47Å; T205-I209 PolarHBondContact O-N 2.95Å |
| 206 | L | 90.3 | Very high | 90.8 | Very high | 63 Ų | 63 | 109 Ų | 109 | 33% | 0.33 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 174.3 | -68.1 | 177.9 | 0 | 0 | 0 | 112.2 | H200 D202 Q208 I209 A210 | H200-L206 HydrophobicContact CB-CD1 4Å; H200-L206 WeakPolarHBondContact ND1-CD1 3.43Å; D202-L206 PolarHBondContact O-N 2.85Å; L206-Q208 VanDerWaalsContact C-N 3.28Å; L206-Q208 PolarHBondContact O-N 3.12Å; L206-I209 PolarHBondContact O-N 3.26Å; L206-A210 WeakPolarHBondContact O-CB 3.39Å; L206-A210 PolarHBondContact O-N 3.25Å |
| 207 | N | 92.8 | Very high | 91.1 | Very high | 80 Ų | 80 | 106.8 Ų | 106.8 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 175.1 | -81.2 | -55.5 | 0 | 0 | 0 | 112.1 | D203 F204 R211 | D203-N207 VanDerWaalsContact O-CB 3.25Å; D203-N207 WeakPolarHBondContact O-CB 3.11Å; D203-N207 VanDerWaalsContact O-CG 3.31Å; D203-N207 PolarHBondContact O-N 3.02Å; D203-N207 PolarHBondContact O-ND2 3.09Å; F204-N207 PolarHBondContact O-N 3.04Å; N207-R211 VanDerWaalsContact O-CB 3.31Å; N207-R211 WeakPolarHBondContact O-CB 3.47Å; N207-R211 WeakPolarHBondContact O-CD 3.3Å; N207-R211 WeakPolarHBondContact O-CG 3.19Å; N207-R211 PolarHBondContact O-N 2.77Å |
| 208 | Q | 93.8 | Very high | 91.5 | Very high | 102 Ų | 102 | 103.8 Ų | 103.8 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 175.3 | -174.3 | -176.7 | 21.4 | 0 | 0 | 111.5 | F204 T205 L206 R211 K212 | F204-Q208 WeakPolarHBondContact O-CB 3.25Å; F204-Q208 PolarHBondContact O-N 3.04Å; T205-Q208 WeakPolarHBondContact O-CB 3.37Å; T205-Q208 PolarHBondContact O-N 2.81Å; L206-Q208 VanDerWaalsContact C-N 3.28Å; L206-Q208 PolarHBondContact O-N 3.12Å; Q208-R211 PolarHBondContact O-N 3.48Å; Q208-K212 WeakPolarHBondContact O-CB 3.31Å; Q208-K212 PolarHBondContact O-N 3.07Å |
| 209 | I | 94 | Very high | 92.1 | Very high | 91 Ų | 91 | 104.4 Ų | 104.4 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -48.7 | 177.1 | -67.5 | 164.3 | 0 | 0 | 0 | 110.1 | T205 L206 R211 K212 K213 | T205-I209 VanDerWaalsContact O-CG1 3.31Å; T205-I209 WeakPolarHBondContact O-CG1 3.47Å; T205-I209 PolarHBondContact O-N 2.95Å; L206-I209 PolarHBondContact O-N 3.26Å; I209-R211 PolarHBondContact O-N 3.07Å; I209-K212 WeakPolarHBondContact O-CB 3.46Å; I209-K212 PolarHBondContact O-N 2.69Å; I209-K212 VanDerWaalsContact O-N 3.13Å; I209-K213 HydrophobicContact CG2-CD 4.47Å; I209-K213 PolarHBondContact O-N 3.5Å |
| 210 | A | 94.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 107.7 Ų | 107.7 | 31% | 0.314 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.7 | -50.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | L206 K212 K213 F214 | L206-A210 WeakPolarHBondContact O-CB 3.39Å; L206-A210 PolarHBondContact O-N 3.25Å; A210-K212 VanDerWaalsContact C-N 3.3Å; A210-K212 PolarHBondContact O-N 3.09Å; A210-K213 PolarHBondContact O-N 2.87Å; A210-F214 WeakPolarHBondContact O-CD2 3.5Å; A210-F214 PolarHBondContact O-N 3.44Å |
| 211 | R | 94.8 | Very high | 93 | Very high | 145 Ų | 145 | 106 Ų | 106 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -35.3 | 177 | -70.3 | 170.1 | -170.7 | 179.1 | 4.4 | 112.7 | N207 Q208 I209 R215 | N207-R211 VanDerWaalsContact O-CB 3.31Å; N207-R211 WeakPolarHBondContact O-CB 3.47Å; N207-R211 WeakPolarHBondContact O-CD 3.3Å; N207-R211 WeakPolarHBondContact O-CG 3.19Å; N207-R211 PolarHBondContact O-N 2.77Å; Q208-R211 PolarHBondContact O-N 3.48Å; I209-R211 PolarHBondContact O-N 3.07Å; R211-R215 WeakPolarHBondContact O-CB 3.49Å; R211-R215 VanDerWaalsContact O-CG 3.28Å; R211-R215 WeakPolarHBondContact O-CG 3.44Å; R211-R215 PolarHBondContact O-N 2.93Å; R211-R215 PolarHBondContact O-NE 2.86Å |
| 212 | K | 96.7 | Very high | 93.5 | Very high | 118 Ų | 118 | 103.5 Ų | 103.5 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -49.6 | 175.9 | -175.7 | 179.5 | 170.8 | -175.7 | 0 | 110.7 | Q208 I209 A210 F214 R215 E216 | Q208-K212 WeakPolarHBondContact O-CB 3.31Å; Q208-K212 PolarHBondContact O-N 3.07Å; I209-K212 WeakPolarHBondContact O-CB 3.46Å; I209-K212 PolarHBondContact O-N 2.69Å; I209-K212 VanDerWaalsContact O-N 3.13Å; A210-K212 VanDerWaalsContact C-N 3.3Å; A210-K212 PolarHBondContact O-N 3.09Å; K212-F214 VanDerWaalsContact C-N 3.35Å; K212-F214 PolarHBondContact O-N 3.36Å; K212-R215 PolarHBondContact O-N 2.97Å; K212-R215 VanDerWaalsContact O-N 3.13Å; K212-E216 WeakPolarHBondContact CE-OE1 3.44Å; K212-E216 IonicContact NZ-OE1 3.18Å; K212-E216 WeakPolarHBondContact O-CG 3.5Å; K212-E216 PolarHBondContact O-N 2.71Å |
| 213 | K | 96.5 | Very high | 93.8 | Very high | 143 Ų | 143 | 103.8 Ų | 103.8 | 62% | 0.622 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -55.7 | -47.1 | 175.4 | -70.5 | -176.8 | 178 | -176.5 | 0 | 111.7 | I209 A210 R215 E216 A217 | I209-K213 HydrophobicContact CG2-CD 4.47Å; I209-K213 PolarHBondContact O-N 3.5Å; A210-K213 PolarHBondContact O-N 2.87Å; K213-R215 PolarHBondContact O-N 3.27Å; K213-E216 PolarHBondContact O-N 3.31Å; K213-A217 WeakPolarHBondContact O-CB 3.48Å; K213-A217 PolarHBondContact O-N 2.92Å |
| 214 | F | 95.4 | Very high | 93.7 | Very high | 158 Ų | 158 | 100.8 Ų | 100.8 | 69% | 0.693 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.8 | -38.6 | 176.8 | -80.2 | -66.2 | 0 | 0 | 0 | 113.3 | A210 K212 K218 | A210-F214 WeakPolarHBondContact O-CD2 3.5Å; A210-F214 PolarHBondContact O-N 3.44Å; K212-F214 VanDerWaalsContact C-N 3.35Å; K212-F214 PolarHBondContact O-N 3.36Å; F214-K218 WeakPolarHBondContact O-CB 3.21Å; F214-K218 PolarHBondContact O-N 3.48Å |
| 215 | R | 95.7 | Very high | 93.7 | Very high | 152 Ų | 152 | 98.5 Ų | 98.5 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.5 | -41.7 | 176.9 | -78.3 | -179 | -71.9 | -126.4 | 1.2 | 112.4 | R211 K212 K213 K219 | R211-R215 WeakPolarHBondContact O-CB 3.49Å; R211-R215 VanDerWaalsContact O-CG 3.28Å; R211-R215 WeakPolarHBondContact O-CG 3.44Å; R211-R215 PolarHBondContact O-N 2.93Å; R211-R215 PolarHBondContact O-NE 2.86Å; K212-R215 PolarHBondContact O-N 2.97Å; K212-R215 VanDerWaalsContact O-N 3.13Å; K213-R215 PolarHBondContact O-N 3.27Å; R215-K219 WeakPolarHBondContact O-CB 3.19Å; R215-K219 PolarHBondContact O-N 2.88Å |
| 216 | E | 96.5 | Very high | 93.7 | Very high | 97 Ų | 97 | 101 Ų | 101 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -47.6 | 177.4 | -72.6 | 171.4 | 175.6 | 0 | 0 | 111.1 | K212 K213 K218 K219 Q220 | K212-E216 WeakPolarHBondContact CE-OE1 3.44Å; K212-E216 IonicContact NZ-OE1 3.18Å; K212-E216 WeakPolarHBondContact O-CG 3.5Å; K212-E216 PolarHBondContact O-N 2.71Å; K213-E216 PolarHBondContact O-N 3.31Å; E216-K218 VanDerWaalsContact C-N 3.35Å; E216-K218 PolarHBondContact O-N 2.88Å; E216-K219 PolarHBondContact O-N 2.8Å; E216-Q220 WeakPolarHBondContact O-CG 3.43Å; E216-Q220 PolarHBondContact O-N 2.84Å |
| 217 | A | 95.2 | Very high | 93.7 | Very high | 52 Ų | 52 | 103.4 Ų | 103.4 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | K213 Q220 S221 | K213-A217 WeakPolarHBondContact O-CB 3.48Å; K213-A217 PolarHBondContact O-N 2.92Å; A217-Q220 PolarHBondContact O-N 2.82Å; A217-S221 WeakPolarHBondContact O-CB 3.34Å; A217-S221 PolarHBondContact O-N 3.42Å |
| 218 | K | 95.6 | Very high | 93.5 | Very high | 133 Ų | 133 | 101 Ų | 101 | 58% | 0.578 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.7 | -45.2 | 174.8 | 179.6 | 172.9 | 174.4 | 173.3 | 0 | 111.8 | F214 E216 Q220 S221 E222 | F214-K218 WeakPolarHBondContact O-CB 3.21Å; F214-K218 PolarHBondContact O-N 3.48Å; E216-K218 VanDerWaalsContact C-N 3.35Å; E216-K218 PolarHBondContact O-N 2.88Å; K218-Q220 PolarHBondContact O-N 2.79Å; K218-S221 PolarHBondContact O-N 3.31Å; K218-E222 WeakPolarHBondContact CE-OE1 3.43Å; K218-E222 HydrophobicContact CG-CG 4.47Å; K218-E222 IonicContact NZ-OE1 3.33Å; K218-E222 WeakPolarHBondContact O-CB 3.39Å; K218-E222 WeakPolarHBondContact O-CG 3.38Å; K218-E222 PolarHBondContact O-N 3.01Å |
| 219 | K | 96.3 | Very high | 93.2 | Very high | 122 Ų | 122 | 100.1 Ų | 100.1 | 53% | 0.53 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 177.3 | -171.2 | 179.7 | -174.3 | -92.2 | 0 | 111.8 | R215 E216 E222 E223 | R215-K219 WeakPolarHBondContact O-CB 3.19Å; R215-K219 PolarHBondContact O-N 2.88Å; E216-K219 PolarHBondContact O-N 2.8Å; K219-E222 PolarHBondContact O-N 3.37Å; K219-E223 WeakPolarHBondContact CE-OE1 3.46Å; K219-E223 IonicContact NZ-OE1 2.98Å; K219-E223 PolarHBondContact NZ-OE1 3.18Å; K219-E223 WeakPolarHBondContact O-CB 3.38Å; K219-E223 VanDerWaalsContact O-CG 3.29Å; K219-E223 WeakPolarHBondContact O-CG 3.48Å; K219-E223 PolarHBondContact O-N 2.95Å |
| 220 | Q | 93.3 | Very high | 93.1 | Very high | 129 Ų | 129 | 97.8 Ų | 97.8 | 60% | 0.603 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.1 | -43.6 | 177.1 | -73.1 | 175.3 | -8.6 | 0 | 0 | 111.9 | E216 A217 K218 E223 Q224 | E216-Q220 WeakPolarHBondContact O-CG 3.43Å; E216-Q220 PolarHBondContact O-N 2.84Å; A217-Q220 PolarHBondContact O-N 2.82Å; K218-Q220 PolarHBondContact O-N 2.79Å; Q220-E223 PolarHBondContact O-N 3.43Å; Q220-Q224 WeakPolarHBondContact O-CB 3.33Å; Q220-Q224 PolarHBondContact O-N 3.16Å |
| 221 | S | 90.2 | Very high | 92.7 | Very high | 68 Ų | 68 | 99.3 Ų | 99.3 | 48% | 0.476 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 175.6 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | A217 K218 Q224 L225 | A217-S221 WeakPolarHBondContact O-CB 3.34Å; A217-S221 PolarHBondContact O-N 3.42Å; K218-S221 PolarHBondContact O-N 3.31Å; S221-Q224 PolarHBondContact O-N 3.32Å; S221-L225 WeakPolarHBondContact O-CB 3.49Å; S221-L225 VanDerWaalsContact O-CG 3.28Å; S221-L225 WeakPolarHBondContact O-CG 3.4Å; S221-L225 PolarHBondContact O-N 2.97Å |
| 222 | E | 93.1 | Very high | 92.4 | Very high | 98 Ų | 98 | 93.6 Ų | 93.6 | 46% | 0.458 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 175.1 | -74.1 | 173.3 | 176.4 | 0 | 0 | 111.9 | K218 K219 Q224 L225 V226 | K218-E222 WeakPolarHBondContact CE-OE1 3.43Å; K218-E222 HydrophobicContact CG-CG 4.47Å; K218-E222 IonicContact NZ-OE1 3.33Å; K218-E222 WeakPolarHBondContact O-CB 3.39Å; K218-E222 WeakPolarHBondContact O-CG 3.38Å; K218-E222 PolarHBondContact O-N 3.01Å; K219-E222 PolarHBondContact O-N 3.37Å; E222-Q224 VanDerWaalsContact C-N 3.34Å; E222-Q224 PolarHBondContact O-N 3.18Å; E222-L225 PolarHBondContact O-N 3.43Å; E222-V226 WeakPolarHBondContact O-CB 3.39Å; E222-V226 VanDerWaalsContact O-CG2 3.26Å; E222-V226 WeakPolarHBondContact O-CG2 3.44Å; E222-V226 PolarHBondContact O-N 3.08Å |
| 223 | E | 93.5 | Very high | 91.9 | Very high | 82 Ų | 82 | 92.8 Ų | 92.8 | 38% | 0.383 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 175.9 | -75.6 | 173 | -171.4 | 0 | 0 | 112.3 | K219 Q220 R227 | K219-E223 WeakPolarHBondContact CE-OE1 3.46Å; K219-E223 IonicContact NZ-OE1 2.98Å; K219-E223 PolarHBondContact NZ-OE1 3.18Å; K219-E223 WeakPolarHBondContact O-CB 3.38Å; K219-E223 VanDerWaalsContact O-CG 3.29Å; K219-E223 WeakPolarHBondContact O-CG 3.48Å; K219-E223 PolarHBondContact O-N 2.95Å; Q220-E223 PolarHBondContact O-N 3.43Å; E223-R227 WeakPolarHBondContact O-CB 3.48Å; E223-R227 WeakPolarHBondContact O-CG 3.46Å; E223-R227 PolarHBondContact O-N 3.36Å; E223-R227 PolarHBondContact O-NE 3.17Å |
| 224 | Q | 89 | Confident | 91.6 | Very high | 51 Ų | 51 | 95.7 Ų | 95.7 | 24% | 0.238 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.5 | -51.1 | 174.1 | -172 | 66.2 | 34.2 | 0 | 0 | 110.3 | Q220 S221 E222 V226 R227 D228 | Q220-Q224 WeakPolarHBondContact O-CB 3.33Å; Q220-Q224 PolarHBondContact O-N 3.16Å; S221-Q224 PolarHBondContact O-N 3.32Å; E222-Q224 VanDerWaalsContact C-N 3.34Å; E222-Q224 PolarHBondContact O-N 3.18Å; Q224-V226 VanDerWaalsContact C-N 3.28Å; Q224-V226 PolarHBondContact O-N 3.2Å; Q224-R227 CarbonylContact O-C 3.6Å; Q224-R227 WeakPolarHBondContact O-CA 3.14Å; Q224-R227 WeakPolarHBondContact O-CB 3.19Å; Q224-R227 PolarHBondContact O-N 2.94Å; Q224-D228 PolarHBondContact NE2-OD1 2.79Å; Q224-D228 WeakPolarHBondContact O-CB 3.48Å; Q224-D228 PolarHBondContact O-N 2.9Å |
| 225 | L | 89.1 | Confident | 91.2 | Very high | 95 Ų | 95 | 93.1 Ų | 93.1 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.6 | -39.4 | 176.6 | -73.2 | 173.6 | 0 | 0 | 0 | 112.2 | S221 E222 N229 | S221-L225 WeakPolarHBondContact O-CB 3.49Å; S221-L225 VanDerWaalsContact O-CG 3.28Å; S221-L225 WeakPolarHBondContact O-CG 3.4Å; S221-L225 PolarHBondContact O-N 2.97Å; E222-L225 PolarHBondContact O-N 3.43Å; L225-N229 WeakPolarHBondContact O-CB 3.4Å; L225-N229 VanDerWaalsContact O-CG 3.24Å; L225-N229 PolarHBondContact O-N 3.11Å; L225-N229 PolarHBondContact O-ND2 3.34Å |
| 226 | V | 91.9 | Very high | 90.6 | Very high | 103 Ų | 103 | 90.8 Ų | 90.8 | 62% | 0.624 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66 | -43.1 | 175.6 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | E222 Q224 S230 | E222-V226 WeakPolarHBondContact O-CB 3.39Å; E222-V226 VanDerWaalsContact O-CG2 3.26Å; E222-V226 WeakPolarHBondContact O-CG2 3.44Å; E222-V226 PolarHBondContact O-N 3.08Å; Q224-V226 VanDerWaalsContact C-N 3.28Å; Q224-V226 PolarHBondContact O-N 3.2Å; V226-S230 WeakPolarHBondContact O-CB 3.35Å; V226-S230 PolarHBondContact O-N 3.08Å |
| 227 | R | 89.6 | Confident | 89.9 | Confident | 114 Ų | 114 | 89.3 Ų | 89.3 | 43% | 0.43 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 175.9 | -80.2 | -178.6 | -86.8 | 120.5 | -0.5 | 111.5 | E223 Q224 S230 L231 | E223-R227 WeakPolarHBondContact O-CB 3.48Å; E223-R227 WeakPolarHBondContact O-CG 3.46Å; E223-R227 PolarHBondContact O-N 3.36Å; E223-R227 PolarHBondContact O-NE 3.17Å; Q224-R227 CarbonylContact O-C 3.6Å; Q224-R227 WeakPolarHBondContact O-CA 3.14Å; Q224-R227 WeakPolarHBondContact O-CB 3.19Å; Q224-R227 PolarHBondContact O-N 2.94Å; R227-S230 WeakPolarHBondContact O-CB 3.37Å; R227-S230 PolarHBondContact O-N 2.87Å; R227-S230 VanDerWaalsContact O-N 3.16Å; R227-S230 PolarHBondContact O-OG 3.13Å; R227-L231 PolarHBondContact O-N 2.97Å |
| 228 | D | 89.1 | Confident | 88.8 | Confident | 29 Ų | 29 | 90.6 Ų | 90.6 | 16% | 0.155 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 179.5 | -64.3 | -11.8 | 0 | 0 | 0 | 111.1 | Q224 S230 L231 L232 L244 | Q224-D228 PolarHBondContact NE2-OD1 2.79Å; Q224-D228 WeakPolarHBondContact O-CB 3.48Å; Q224-D228 PolarHBondContact O-N 2.9Å; D228-S230 VanDerWaalsContact C-N 3.28Å; D228-S230 PolarHBondContact O-N 3.36Å; D228-L231 WeakPolarHBondContact O-CB 3.38Å; D228-L231 PolarHBondContact O-N 3.49Å; D228-L231 VanDerWaalsContact O-N 3.09Å; D228-L232 WeakPolarHBondContact O-CG 3.5Å; D228-L232 PolarHBondContact O-N 3.09Å; D228-L244 HydrophobicContact CB-CD1 3.79Å |
| 229 | N | 87.8 | Confident | 87.7 | Confident | 84 Ų | 84 | 88.3 Ų | 88.3 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 174 | -78.5 | -51.2 | 0 | 0 | 0 | 111.7 | L225 L231 L232 N233 | L225-N229 WeakPolarHBondContact O-CB 3.4Å; L225-N229 VanDerWaalsContact O-CG 3.24Å; L225-N229 PolarHBondContact O-N 3.11Å; L225-N229 PolarHBondContact O-ND2 3.34Å; N229-L231 VanDerWaalsContact C-N 3.3Å; N229-L231 PolarHBondContact O-N 3.25Å; N229-L232 PolarHBondContact O-N 3.12Å; N229-N233 WeakPolarHBondContact O-CB 3.45Å; N229-N233 VanDerWaalsContact O-CG 3.27Å; N229-N233 PolarHBondContact O-N 3.08Å; N229-N233 PolarHBondContact O-ND2 2.83Å |
| 230 | S | 90.9 | Very high | 86.5 | Confident | 42 Ų | 42 | 84.9 Ų | 84.9 | 29% | 0.294 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.8 | -35.2 | 176.4 | 83.6 | 0 | 0 | 0 | 0 | 112.4 | V226 R227 D228 R234 | V226-S230 WeakPolarHBondContact O-CB 3.35Å; V226-S230 PolarHBondContact O-N 3.08Å; R227-S230 WeakPolarHBondContact O-CB 3.37Å; R227-S230 PolarHBondContact O-N 2.87Å; R227-S230 VanDerWaalsContact O-N 3.16Å; R227-S230 PolarHBondContact O-OG 3.13Å; D228-S230 VanDerWaalsContact C-N 3.28Å; D228-S230 PolarHBondContact O-N 3.36Å; S230-R234 VanDerWaalsContact O-CG 3.31Å; S230-R234 WeakPolarHBondContact O-CG 3.3Å; S230-R234 PolarHBondContact O-N 3.17Å; S230-R234 VanDerWaalsContact O-N 3.08Å |
| 231 | L | 87.6 | Confident | 85.7 | Confident | 70 Ų | 70 | 88.4 Ų | 88.4 | 37% | 0.366 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.6 | -45.8 | 176.9 | -177.4 | 138 | 0 | 0 | 0 | 111.1 | R227 D228 N229 N233 R234 L235 L244 | R227-L231 PolarHBondContact O-N 2.97Å; D228-L231 WeakPolarHBondContact O-CB 3.38Å; D228-L231 PolarHBondContact O-N 3.49Å; D228-L231 VanDerWaalsContact O-N 3.09Å; N229-L231 VanDerWaalsContact C-N 3.3Å; N229-L231 PolarHBondContact O-N 3.25Å; L231-N233 VanDerWaalsContact C-N 3.31Å; L231-N233 PolarHBondContact O-N 3.25Å; L231-R234 PolarHBondContact O-N 3.02Å; L231-L235 HydrophobicContact CD2-CD1 3.59Å; L231-L235 HydrophobicContact CG-CD1 4.06Å; L231-L235 WeakPolarHBondContact O-CG 3.35Å; L231-L235 PolarHBondContact O-N 2.59Å; L231-L244 HydrophobicContact CD2-CD1 4.04Å; L231-L244 HydrophobicContact CD2-CD2 3.96Å |
| 232 | L | 87.1 | Confident | 85 | Confident | 26 Ų | 26 | 89.1 Ų | 89.1 | 14% | 0.136 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -57.7 | -43.2 | 173.5 | -69.2 | 173.7 | 0 | 0 | 0 | 111.8 | D228 N229 L235 S236 L237 T238 L244 | D228-L232 WeakPolarHBondContact O-CG 3.5Å; D228-L232 PolarHBondContact O-N 3.09Å; N229-L232 PolarHBondContact O-N 3.12Å; L232-L235 CarbonylContact O-C 3.59Å; L232-L235 PolarHBondContact O-N 3.31Å; L232-S236 PolarHBondContact O-N 2.97Å; L232-L237 HydrophobicContact CD2-CB 3.78Å; L232-L237 PolarHBondContact O-N 2.99Å; L232-T238 HydrophobicContact CB-CG2 4.05Å; L232-L244 HydrophobicContact CD1-CD1 3.9Å; L232-L244 HydrophobicContact CD2-CD1 3.62Å; L232-L244 HydrophobicContact CD2-CG 4.11Å; L232-L244 HydrophobicContact CG-CD1 3.47Å; L232-L244 VanDerWaalsContact CG-CD1 3.47Å; L232-L244 HydrophobicContact CG-CG 4.44Å |
| 233 | N | 87.2 | Confident | 84.4 | Confident | 101 Ų | 101 | 93 Ų | 93 | 54% | 0.54 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 176 | -80 | -56.5 | 0 | 0 | 0 | 111.6 | N229 L231 L235 S236 T238 | N229-N233 WeakPolarHBondContact O-CB 3.45Å; N229-N233 VanDerWaalsContact O-CG 3.27Å; N229-N233 PolarHBondContact O-N 3.08Å; N229-N233 PolarHBondContact O-ND2 2.83Å; L231-N233 VanDerWaalsContact C-N 3.31Å; L231-N233 PolarHBondContact O-N 3.25Å; N233-L235 VanDerWaalsContact C-N 3.28Å; N233-L235 PolarHBondContact O-N 2.78Å; N233-S236 PolarHBondContact O-N 3.25Å; N233-T238 HydrophobicContact CB-CG2 4.27Å; N233-T238 WeakPolarHBondContact OD1-CG2 3.13Å |
| 234 | R | 89.4 | Confident | 83.9 | Confident | 204 Ų | 204 | 92.4 Ų | 92.4 | 77% | 0.77 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -34.2 | 177.6 | -74 | 176.4 | -166.1 | 167.2 | 7 | 112.6 | S230 L231 S236 | S230-R234 VanDerWaalsContact O-CG 3.31Å; S230-R234 WeakPolarHBondContact O-CG 3.3Å; S230-R234 PolarHBondContact O-N 3.17Å; S230-R234 VanDerWaalsContact O-N 3.08Å; L231-R234 PolarHBondContact O-N 3.02Å; R234-S236 VanDerWaalsContact C-N 3.35Å |
| 235 | L | 87.6 | Confident | 83.7 | Confident | 104 Ų | 104 | 97 Ų | 97 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 0 | 179.4 | -62.6 | 176.4 | 0 | 0 | 0 | 113.3 | L231 L232 N233 L237 | L231-L235 HydrophobicContact CD2-CD1 3.59Å; L231-L235 HydrophobicContact CG-CD1 4.06Å; L231-L235 WeakPolarHBondContact O-CG 3.35Å; L231-L235 PolarHBondContact O-N 2.59Å; L232-L235 CarbonylContact O-C 3.59Å; L232-L235 PolarHBondContact O-N 3.31Å; N233-L235 VanDerWaalsContact C-N 3.28Å; N233-L235 PolarHBondContact O-N 2.78Å; L235-L237 HydrophobicContact CB-CB 4.48Å; L235-L237 HydrophobicContact CB-CD1 3.7Å; L235-L237 HydrophobicContact CB-CG 3.98Å; L235-L237 HydrophobicContact CD1-CD1 3.98Å; L235-L237 PolarHBondContact O-N 3.32Å |
| 236 | S | 83.6 | Confident | 83.5 | Confident | 102 Ų | 102 | 97.1 Ų | 97.1 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 28.6 | -174.8 | -53 | 0 | 0 | 0 | 0 | 114 | L232 N233 R234 T238 | L232-S236 PolarHBondContact O-N 2.97Å; N233-S236 PolarHBondContact O-N 3.25Å; R234-S236 VanDerWaalsContact C-N 3.35Å; S236-T238 VanDerWaalsContact C-N 3.35Å |
| 237 | L | 81.7 | Confident | 83.2 | Confident | 66 Ų | 66 | 99.4 Ų | 99.4 | 35% | 0.346 | 53% | 0.534 | S | S | . | . | trans | -93.3 | 4.6 | 180 | -72.1 | 168.2 | 0 | 0 | 0 | 112.7 | L232 L235 G239 S240 | L232-L237 HydrophobicContact CD2-CB 3.78Å; L232-L237 PolarHBondContact O-N 2.99Å; L235-L237 HydrophobicContact CB-CB 4.48Å; L235-L237 HydrophobicContact CB-CD1 3.7Å; L235-L237 HydrophobicContact CB-CG 3.98Å; L235-L237 HydrophobicContact CD1-CD1 3.98Å; L235-L237 PolarHBondContact O-N 3.32Å; L237-G239 PolarHBondContact O-N 3.05Å; L237-S240 WeakPolarHBondContact O-CB 3.27Å; L237-S240 PolarHBondContact O-N 2.86Å; L237-S240 PolarHBondContact O-OG 3.43Å | ||
| 238 | T | 72.4 | Confident | 83.2 | Confident | 80 Ų | 80 | 97.3 Ų | 97.3 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 104.3 | 176.7 | 51.3 | 0 | 0 | 0 | 0 | 110.2 | L232 N233 S236 | L232-T238 HydrophobicContact CB-CG2 4.05Å; N233-T238 HydrophobicContact CB-CG2 4.27Å; N233-T238 WeakPolarHBondContact OD1-CG2 3.13Å; S236-T238 VanDerWaalsContact C-N 3.35Å |
| 239 | G | 72.5 | Confident | 83.3 | Confident | 85 Ų | 85 | 102.5 Ų | 102.5 | 88% | 0.876 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.6 | -2.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L237 | L237-G239 PolarHBondContact O-N 3.05Š|
| 240 | S | 70.4 | Confident | 83.4 | Confident | 50 Ų | 50 | 104 Ų | 104 | 35% | 0.35 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -76.5 | 152.2 | 166 | 68.5 | 0 | 0 | 0 | 0 | 110.6 | L237 V242 | L237-S240 WeakPolarHBondContact O-CB 3.27Å; L237-S240 PolarHBondContact O-N 2.86Å; L237-S240 PolarHBondContact O-OG 3.43Å; S240-V242 PolarHBondContact O-N 2.83Å |
| 241 | Q | 76.7 | Confident | 83.3 | Confident | 202 Ų | 202 | 106 Ų | 106 | 94% | 0.944 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -73 | 22 | 177.9 | -68.2 | 147.9 | -23.8 | 0 | 0 | 113 | ||
| 242 | V | 75.7 | Confident | 83.3 | Confident | 84 Ų | 84 | 104.7 Ų | 104.7 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | trans | -95.8 | 106.3 | -174.5 | -175.8 | 0 | 0 | 0 | 0 | 109 | S240 | S240-V242 PolarHBondContact O-N 2.83Š| ||
| 243 | E | 79 | Confident | 83.4 | Confident | 178 Ų | 178 | 106.8 Ų | 106.8 | 83% | 0.832 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 126 | 171.5 | -65.9 | -178.4 | 173.2 | 0 | 0 | 109.8 | L245 | E243-L245 PolarHBondContact O-N 3.31Š|
| 244 | L | 83 | Confident | 83.5 | Confident | 70 Ų | 70 | 107.5 Ų | 107.5 | 37% | 0.366 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -76.7 | 120.2 | 173.5 | -79.6 | 161.9 | 0 | 0 | 0 | 109.2 | D228 L231 L232 | D228-L244 HydrophobicContact CB-CD1 3.79Å; L231-L244 HydrophobicContact CD2-CD1 4.04Å; L231-L244 HydrophobicContact CD2-CD2 3.96Å; L232-L244 HydrophobicContact CD1-CD1 3.9Å; L232-L244 HydrophobicContact CD2-CD1 3.62Å; L232-L244 HydrophobicContact CD2-CG 4.11Å; L232-L244 HydrophobicContact CG-CD1 3.47Å; L232-L244 VanDerWaalsContact CG-CD1 3.47Å; L232-L244 HydrophobicContact CG-CG 4.44Å |
| 245 | L | 86.3 | Confident | 83.4 | Confident | 148 Ų | 148 | 100.7 Ų | 100.7 | 78% | 0.775 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 153.4 | 171.3 | -72 | 162.1 | 0 | 0 | 0 | 110.1 | E243 | E243-L245 PolarHBondContact O-N 3.31Š|
| 246 | P | 84.5 | Confident | 83.4 | Confident | 97 Ų | 97 | 102.2 Ų | 102.2 | 63% | 0.63 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 139.7 | 173.6 | 26.6 | -34.2 | 0 | 0 | 0 | 110.6 | T248 | P246-T248 PolarHBondContact O-N 3.17Š|
| 247 | E | 85.5 | Confident | 83.6 | Confident | 151 Ų | 151 | 101.2 Ų | 101.2 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 126.6 | 177.3 | -64.2 | 178.7 | 179.9 | 0 | 0 | 110.4 | ||
| 248 | T | 90.5 | Very high | 83.7 | Confident | 70 Ų | 70 | 102.8 Ų | 102.8 | 43% | 0.429 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -91.2 | 155.9 | 170.6 | 65.2 | 0 | 0 | 0 | 0 | 110.8 | P246 D250 D251 S252 | P246-T248 PolarHBondContact O-N 3.17Å; T248-D250 PolarHBondContact O-N 2.94Å; T248-D251 PolarHBondContact N-OD2 2.79Å; T248-D251 WeakPolarHBondContact O-CB 3.38Å; T248-D251 PolarHBondContact O-N 2.7Å; T248-D251 VanDerWaalsContact O-N 3.12Å; T248-D251 PolarHBondContact OG1-N 3.22Å; T248-D251 PolarHBondContact OG1-OD2 2.98Å; T248-S252 PolarHBondContact O-N 3.31Å |
| 249 | D | 89.9 | Confident | 84.2 | Confident | 139 Ų | 139 | 106.5 Ų | 106.5 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.5 | -35.7 | 177.7 | -76.6 | -25.6 | 0 | 0 | 0 | 111.5 | S252 T253 | D249-S252 WeakPolarHBondContact O-CB 3.42Å; D249-S252 PolarHBondContact O-N 2.91Å; D249-S252 PolarHBondContact O-OG 2.85Å; D249-T253 WeakPolarHBondContact O-CG2 3.4Å; D249-T253 PolarHBondContact O-N 2.94Å; D249-T253 VanDerWaalsContact O-N 3.16Å |
| 250 | D | 90.2 | Very high | 84.6 | Confident | 116 Ų | 116 | 107.9 Ų | 107.9 | 62% | 0.62 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.8 | -45 | 175.7 | -70.1 | -24.9 | 0 | 0 | 0 | 111.6 | T248 S252 T253 M254 | T248-D250 PolarHBondContact O-N 2.94Å; D250-S252 PolarHBondContact O-N 2.95Å; D250-T253 PolarHBondContact O-N 2.72Å; D250-T253 PolarHBondContact O-OG1 2.96Å; D250-M254 WeakPolarHBondContact O-CG 3.3Å; D250-M254 PolarHBondContact O-N 2.89Å |
| 251 | D | 89.3 | Confident | 85 | Confident | 82 Ų | 82 | 107.9 Ų | 107.9 | 44% | 0.439 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -56.7 | -41.1 | 176 | -61.5 | -41.4 | 0 | 0 | 0 | 111.3 | T248 T253 M254 A255 | T248-D251 PolarHBondContact N-OD2 2.79Å; T248-D251 WeakPolarHBondContact O-CB 3.38Å; T248-D251 PolarHBondContact O-N 2.7Å; T248-D251 VanDerWaalsContact O-N 3.12Å; T248-D251 PolarHBondContact OG1-N 3.22Å; T248-D251 PolarHBondContact OG1-OD2 2.98Å; D251-T253 VanDerWaalsContact C-N 3.32Å; D251-T253 PolarHBondContact O-N 3.11Å; D251-M254 PolarHBondContact O-N 3.31Å; D251-A255 VanDerWaalsContact O-CB 3.27Å; D251-A255 WeakPolarHBondContact O-CB 3.2Å; D251-A255 PolarHBondContact O-N 3.12Å |
| 252 | S | 86.6 | Confident | 84.5 | Confident | 43 Ų | 43 | 103 Ų | 103 | 30% | 0.301 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 178.5 | 91.1 | 0 | 0 | 0 | 0 | 112.3 | T248 D249 D250 K256 | T248-S252 PolarHBondContact O-N 3.31Å; D249-S252 WeakPolarHBondContact O-CB 3.42Å; D249-S252 PolarHBondContact O-N 2.91Å; D249-S252 PolarHBondContact O-OG 2.85Å; D250-S252 PolarHBondContact O-N 2.95Å; S252-K256 WeakPolarHBondContact O-CD 3.21Å; S252-K256 VanDerWaalsContact O-CG 3.29Å; S252-K256 WeakPolarHBondContact O-CG 3.22Å; S252-K256 PolarHBondContact O-N 3.16Å |
| 253 | T | 89.9 | Confident | 83.9 | Confident | 71 Ų | 71 | 101.6 Ų | 101.6 | 44% | 0.436 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.8 | -44.6 | 177.9 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | D249 D250 D251 A255 K256 V257 | D249-T253 WeakPolarHBondContact O-CG2 3.4Å; D249-T253 PolarHBondContact O-N 2.94Å; D249-T253 VanDerWaalsContact O-N 3.16Å; D250-T253 PolarHBondContact O-N 2.72Å; D250-T253 PolarHBondContact O-OG1 2.96Å; D251-T253 VanDerWaalsContact C-N 3.32Å; D251-T253 PolarHBondContact O-N 3.11Å; T253-A255 VanDerWaalsContact C-N 3.34Å; T253-A255 PolarHBondContact O-N 2.94Å; T253-K256 WeakPolarHBondContact O-CB 3.2Å; T253-K256 PolarHBondContact O-N 3.16Å; T253-V257 WeakPolarHBondContact O-CG2 3.32Å; T253-V257 PolarHBondContact O-N 2.84Å |
| 254 | M | 89.2 | Confident | 82.9 | Confident | 115 Ų | 115 | 100.7 Ų | 100.7 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 177.7 | -66.8 | -172.3 | 90.2 | 0 | 0 | 111.2 | D250 D251 K256 V257 M258 | D250-M254 WeakPolarHBondContact O-CG 3.3Å; D250-M254 PolarHBondContact O-N 2.89Å; D251-M254 PolarHBondContact O-N 3.31Å; M254-K256 PolarHBondContact O-N 2.72Å; M254-V257 PolarHBondContact O-N 2.98Å; M254-M258 WeakPolarHBondContact O-CG 3.47Å; M254-M258 PolarHBondContact O-N 3.31Å |
| 255 | A | 86.9 | Confident | 81.5 | Confident | 61 Ų | 61 | 104.8 Ų | 104.8 | 50% | 0.504 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D251 T253 M258 F259 | D251-A255 VanDerWaalsContact O-CB 3.27Å; D251-A255 WeakPolarHBondContact O-CB 3.2Å; D251-A255 PolarHBondContact O-N 3.12Å; T253-A255 VanDerWaalsContact C-N 3.34Å; T253-A255 PolarHBondContact O-N 2.94Å; A255-M258 PolarHBondContact O-N 3.2Å; A255-F259 PolarHBondContact O-N 3.38Å |
| 256 | K | 87.8 | Confident | 79.8 | Confident | 137 Ų | 137 | 103.9 Ų | 103.9 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 175.2 | -71.7 | 164.5 | -172.3 | 158.7 | 0 | 111.6 | S252 T253 M254 F259 L260 | S252-K256 WeakPolarHBondContact O-CD 3.21Å; S252-K256 VanDerWaalsContact O-CG 3.29Å; S252-K256 WeakPolarHBondContact O-CG 3.22Å; S252-K256 PolarHBondContact O-N 3.16Å; T253-K256 WeakPolarHBondContact O-CB 3.2Å; T253-K256 PolarHBondContact O-N 3.16Å; M254-K256 PolarHBondContact O-N 2.72Å; K256-F259 PolarHBondContact O-N 2.74Å; K256-L260 WeakPolarHBondContact O-CG 3.45Å; K256-L260 PolarHBondContact O-N 2.87Å; K256-L260 VanDerWaalsContact O-N 3.17Å |
| 257 | V | 88.3 | Confident | 78.3 | Confident | 81 Ų | 81 | 105.4 Ų | 105.4 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 177 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | T253 M254 F259 L260 T261 | T253-V257 WeakPolarHBondContact O-CG2 3.32Å; T253-V257 PolarHBondContact O-N 2.84Å; M254-V257 PolarHBondContact O-N 2.98Å; V257-F259 PolarHBondContact O-N 3.47Å; V257-L260 PolarHBondContact O-N 2.77Å; V257-T261 HydrophobicContact CG1-CG2 4.48Å; V257-T261 WeakPolarHBondContact O-CG2 2.95Å; V257-T261 PolarHBondContact O-N 3.37Å; V257-T261 PolarHBondContact O-OG1 3.14Å |
| 258 | M | 84 | Confident | 76.7 | Confident | 98 Ų | 98 | 104 Ų | 104 | 48% | 0.483 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 177.1 | -72.2 | -64.2 | 157.5 | 0 | 0 | 111.9 | M254 A255 L260 T261 H262 | M254-M258 WeakPolarHBondContact O-CG 3.47Å; M254-M258 PolarHBondContact O-N 3.31Å; A255-M258 PolarHBondContact O-N 3.2Å; M258-L260 VanDerWaalsContact C-N 3.33Å; M258-L260 PolarHBondContact O-N 2.85Å; M258-T261 WeakPolarHBondContact CA-OG1 3.35Å; M258-T261 PolarHBondContact O-N 3.07Å; M258-T261 PolarHBondContact O-OG1 3.49Å; M258-H262 PolarHBondContact O-N 3.3Å; M258-H262 PolarHBondContact O-ND1 2.93Å |
| 259 | F | 82.5 | Confident | 75 | Confident | 159 Ų | 159 | 104.1 Ų | 104.1 | 70% | 0.697 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.5 | -42.4 | 175.7 | -173.1 | -97.8 | 0 | 0 | 0 | 112.2 | A255 K256 V257 S263 | A255-F259 PolarHBondContact O-N 3.38Å; K256-F259 PolarHBondContact O-N 2.74Å; V257-F259 PolarHBondContact O-N 3.47Å; F259-S263 PolarHBondContact O-N 3.08Å; F259-S263 VanDerWaalsContact O-N 3.1Å |
| 260 | L | 81.2 | Confident | 73 | Confident | 114 Ų | 114 | 104 Ų | 104 | 60% | 0.597 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.1 | -38.8 | 177.3 | -69.1 | 170.1 | 0 | 0 | 0 | 112.8 | K256 V257 M258 K264 | K256-L260 WeakPolarHBondContact O-CG 3.45Å; K256-L260 PolarHBondContact O-N 2.87Å; K256-L260 VanDerWaalsContact O-N 3.17Å; V257-L260 PolarHBondContact O-N 2.77Å; M258-L260 VanDerWaalsContact C-N 3.33Å; M258-L260 PolarHBondContact O-N 2.85Å; L260-K264 PolarHBondContact O-N 3Å |
| 261 | T | 78.1 | Confident | 70.9 | Confident | 50 Ų | 50 | 104.5 Ų | 104.5 | 31% | 0.307 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.5 | -37.2 | 179.9 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | V257 M258 K264 R265 | V257-T261 HydrophobicContact CG1-CG2 4.48Å; V257-T261 WeakPolarHBondContact O-CG2 2.95Å; V257-T261 PolarHBondContact O-N 3.37Å; V257-T261 PolarHBondContact O-OG1 3.14Å; M258-T261 WeakPolarHBondContact CA-OG1 3.35Å; M258-T261 PolarHBondContact O-N 3.07Å; M258-T261 PolarHBondContact O-OG1 3.49Å; T261-K264 PolarHBondContact O-N 3.45Å; T261-R265 PolarHBondContact O-N 3.25Å |
| 262 | H | 67.4 | Low | 68.9 | Low | 100 Ų | 100 | 107.9 Ų | 107.9 | 46% | 0.463 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.3 | -36 | 175.4 | -73.9 | 81.5 | 0 | 0 | 0 | 112.2 | M258 K264 R265 N266 | M258-H262 PolarHBondContact O-N 3.3Å; M258-H262 PolarHBondContact O-ND1 2.93Å; H262-K264 PolarHBondContact O-N 3.14Å; H262-R265 PolarHBondContact O-N 2.88Å; H262-N266 PolarHBondContact O-N 2.81Å |
| 263 | S | 62 | Low | 67 | Low | 54 Ų | 54 | 112.8 Ų | 112.8 | 38% | 0.378 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.2 | -26.6 | 174 | -172.8 | 0 | 0 | 0 | 0 | 112.9 | F259 I267 | F259-S263 PolarHBondContact O-N 3.08Å; F259-S263 VanDerWaalsContact O-N 3.1Å; S263-I267 WeakPolarHBondContact O-CD1 3.04Å |
| 264 | K | 58.1 | Low | 64.8 | Low | 159 Ų | 159 | 115.6 Ų | 115.6 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -82.7 | -33.8 | 176.1 | -70.7 | -175.8 | 179 | -177.2 | 0 | 112.9 | L260 T261 H262 I267 | L260-K264 PolarHBondContact O-N 3Å; T261-K264 PolarHBondContact O-N 3.45Å; H262-K264 PolarHBondContact O-N 3.14Å; K264-I267 PolarHBondContact O-N 2.93Å |
| 265 | R | 53.3 | Low | 62.7 | Low | 155 Ų | 155 | 117.8 Ų | 117.8 | 59% | 0.585 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.5 | -29.1 | 179.9 | -71.4 | -177.4 | -179.9 | 130.9 | -1.1 | 113.5 | T261 H262 I267 T268 | T261-R265 PolarHBondContact O-N 3.25Å; H262-R265 PolarHBondContact O-N 2.88Å; R265-I267 VanDerWaalsContact C-N 3.29Å; R265-I267 PolarHBondContact O-N 3.19Å; R265-T268 PolarHBondContact O-N 3.32Å; R265-T268 PolarHBondContact O-OG1 3.43Å; R265-T268 VanDerWaalsContact O-OG1 3.1Å |
| 266 | N | 51.3 | Low | 61 | Low | 130 Ų | 130 | 119.7 Ų | 119.7 | 70% | 0.695 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -13 | 177.1 | -73.9 | -18.3 | 0 | 0 | 0 | 114.2 | H262 | H262-N266 PolarHBondContact O-N 2.81Š|
| 267 | I | 52 | Low | 59.1 | Low | 129 Ų | 129 | 120.9 Ų | 120.9 | 66% | 0.662 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -23 | 176.2 | -63.4 | 169.8 | 0 | 0 | 0 | 111.1 | S263 K264 R265 | S263-I267 WeakPolarHBondContact O-CD1 3.04Å; K264-I267 PolarHBondContact O-N 2.93Å; R265-I267 VanDerWaalsContact C-N 3.29Å; R265-I267 PolarHBondContact O-N 3.19Å |
| 268 | T | 52.8 | Low | 57.1 | Low | 122 Ų | 122 | 124.5 Ų | 124.5 | 75% | 0.748 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -99.9 | -0.8 | -172.2 | 54.5 | 0 | 0 | 0 | 0 | 114.8 | R265 | R265-T268 PolarHBondContact O-N 3.32Å; R265-T268 PolarHBondContact O-OG1 3.43Å; R265-T268 VanDerWaalsContact O-OG1 3.1Å |
| 269 | A | 53.9 | Low | 55.2 | Low | 71 Ų | 71 | 130.5 Ų | 130.5 | 59% | 0.587 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -116.3 | -6.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 270 | N | 48.7 | Very low | 53.5 | Low | 136 Ų | 136 | 129.6 Ų | 129.6 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | -146 | 106.6 | 177.5 | -86.4 | -30.7 | 0 | 0 | 0 | 111.3 | L272 | N270-L272 PolarHBondContact O-N 2.89Å; N270-L272 VanDerWaalsContact O-N 3.15Å | ||
| 271 | P | 45.1 | Very low | 51.6 | Low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | trans | -88.8 | 49.5 | 179.2 | 37.3 | -34.2 | 0 | 0 | 0 | 111.2 | ||||
| 272 | L | 48.5 | Very low | 49.9 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -146.5 | 113.8 | 172.7 | -66.1 | 174.7 | 0 | 0 | 0 | 108.8 | N270 | N270-L272 PolarHBondContact O-N 2.89Å; N270-L272 VanDerWaalsContact O-N 3.15Å |
| 273 | N | 47 | Very low | 48.4 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | 83.7 | 81.4 | 178 | -62.8 | -27.4 | 0 | 0 | 0 | 119.2 | M275 | N273-M275 PolarHBondContact O-N 3.13Š| ||
| 274 | P | 43.1 | Very low | 47.4 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -90 | 67.2 | 163.2 | 36.9 | -30 | 0 | 0 | 0 | 110.4 | ||||
| 275 | M | 44.6 | Very low | 46.9 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -153.3 | 31.9 | -179.6 | -104.8 | -52.8 | -71.7 | 0 | 0 | 116.7 | N273 | N273-M275 PolarHBondContact O-N 3.13Š| ||
| 276 | S | 51 | Low | 46.5 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -127 | -0.6 | 175.1 | 62.1 | 0 | 0 | 0 | 0 | 116.6 | I278 | S276-I278 VanDerWaalsContact C-N 3.26Å; S276-I278 PolarHBondContact O-N 3.39Å | ||
| 277 | L | 48.5 | Very low | 46.1 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -90.6 | 39.8 | 174.6 | -85.8 | 139.2 | 0 | 0 | 0 | 113 | ||
| 278 | I | 47 | Very low | 45.5 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -145.8 | 64 | 167.7 | -49.7 | 176.8 | 0 | 0 | 0 | 107.9 | S276 | S276-I278 VanDerWaalsContact C-N 3.26Å; S276-I278 PolarHBondContact O-N 3.39Å |
| 279 | R | 43.3 | Very low | 45.2 | Very low | 224 Ų | 224 | 144 Ų | 144 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -157.6 | 71.2 | 173.8 | -159 | 171.4 | -82.5 | 171.7 | -5.9 | 113.3 | ||||
| 280 | N | 46.2 | Very low | 44.5 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | 171.7 | 76.1 | 133.3 | -103.3 | -11.8 | 0 | 0 | 0 | 111.1 | ||||
| 281 | R | 41.2 | Very low | 44.2 | Very low | 250 Ų | 250 | 149.5 Ų | 149.5 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | trans | -114.8 | 64.7 | 149.9 | -94.8 | -175.9 | 169.9 | 167.3 | -2.9 | 106.9 | ||||
| 282 | N | 42.6 | Very low | 44.2 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -100.6 | 99.6 | 164.2 | -79.2 | 16.8 | 0 | 0 | 0 | 105.2 | ||||
| 283 | S | 36 | Very low | 43.6 | Very low | 87 Ų | 87 | 145.9 Ų | 145.9 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | 97 | 87.1 | 83.9 | 66.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 284 | H | 40.3 | Very low | 43.3 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -154.3 | 79.2 | 144.2 | -93.4 | -57.5 | 0 | 0 | 0 | 108.5 | ||||
| 285 | V | 47.6 | Very low | 43.1 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 117 | 156.5 | 176.9 | 0 | 0 | 0 | 0 | 105.6 | A287 | V285-A287 PolarHBondContact O-N 3.22Š|
| 286 | P | 46.2 | Very low | 42.9 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79 | 117.7 | 161.3 | 16.4 | -2.6 | 0 | 0 | 0 | 107.6 | S288 | P286-S288 PolarHBondContact O-N 3Š|
| 287 | A | 41.9 | Very low | 42.5 | Very low | 81 Ų | 81 | 145.5 Ų | 145.5 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 130.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V285 K289 | V285-A287 PolarHBondContact O-N 3.22Å; A287-K289 PolarHBondContact O-N 3.29Å |
| 288 | S | 40.4 | Very low | 42.1 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 119.4 | 161.4 | 44.3 | 0 | 0 | 0 | 0 | 109.7 | P286 | P286-S288 PolarHBondContact O-N 3Š|
| 289 | K | 46.5 | Very low | 42 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | trans | -115.8 | 101.8 | 159.2 | -84.5 | -176.2 | 178.9 | 174.5 | 0 | 108.4 | A287 | A287-K289 PolarHBondContact O-N 3.29Š| ||
| 290 | T | 39.5 | Very low | 41.9 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -62.4 | 132.5 | 155.2 | 44.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 291 | K | 42.7 | Very low | 41.7 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | 176.3 | 92.4 | 156.5 | -98.4 | 167.1 | -171.1 | -168 | 0 | 106.2 | ||||
| 292 | S | 43.3 | Very low | 41.8 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | 74.9 | 100.5 | 98.8 | 65.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 293 | A | 37.4 | Very low | 41.9 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | 18.2 | 135.6 | 144 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 294 | S | 39.7 | Very low | 42.2 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 114.8 | 136.9 | 133 | 76.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 295 | K | 40.4 | Very low | 42.5 | Very low | 195 Ų | 195 | 134.3 Ų | 134.3 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | 79.2 | 103.9 | 170.5 | -66.5 | 175 | 174.7 | 175.7 | 0 | 115.4 | ||||
| 296 | A | 39.1 | Very low | 42.3 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | 66.1 | 136.8 | 67.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 297 | D | 42.2 | Very low | 42.3 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 104 | 93 | 166.5 | -61.6 | -43.2 | 0 | 0 | 0 | 119.5 | ||||
| 298 | N | 40.4 | Very low | 42.4 | Very low | 124 Ų | 124 | 143 Ų | 143 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | 70.5 | 123.6 | 108.3 | -82.5 | -44.5 | 0 | 0 | 0 | 121.9 | |||||
| 299 | I | 44.9 | Very low | 42.4 | Very low | 128 Ų | 128 | 147 Ų | 147 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | 79.6 | 110.1 | 124.9 | -65.7 | 166.4 | 0 | 0 | 0 | 119 | |||||
| 300 | K | 41.7 | Very low | 42.4 | Very low | 191 Ų | 191 | 144 Ų | 144 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | 158.6 | 106 | 129.1 | -88.5 | 152.4 | -169 | -175.8 | 0 | 108.9 | |||||
| 301 | K | 40.9 | Very low | 42.2 | Very low | 210 Ų | 210 | 143.4 Ų | 143.4 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | 43.2 | 107.5 | 76.7 | -83.6 | -172 | -179.4 | 177.8 | 0 | 115.4 | |||||
| 302 | S | 44.7 | Very low | 42.1 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -179.1 | 107.2 | 144.1 | 48.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 303 | T | 43.5 | Very low | 41.8 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | 62 | 131.7 | 97.7 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 304 | T | 44 | Very low | 41.9 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | cis | 172.8 | 141.1 | 28.7 | 11.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 305 | S | 44.7 | Very low | 42.1 | Very low | 108 Ų | 108 | 151.4 Ų | 151.4 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 179.3 | 92.7 | 137.4 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 306 | T | 44.7 | Very low | 42 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | 21.7 | 115.7 | 132.2 | 50.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 307 | L | 47 | Very low | 42.2 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -144.5 | 109 | 142.3 | -101.4 | 146.8 | 0 | 0 | 0 | 111.1 | ||||
| 308 | K | 43.5 | Very low | 42.1 | Very low | 204 Ų | 204 | 149.2 Ų | 149.2 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -7.2 | 130.8 | 166 | -65.5 | 170.7 | 178.9 | 177.3 | 0 | 120 | ||||
| 309 | K | 40.4 | Very low | 42.1 | Very low | 203 Ų | 203 | 149.4 Ų | 149.4 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -60.9 | 143.9 | 161.7 | -72.7 | 172.4 | 172 | 176.2 | 0 | 113 | ||||
| 310 | T | 45.5 | Very low | 41.7 | Very low | 139 Ų | 139 | 153 Ų | 153 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -130.5 | 133.2 | 145.8 | 47.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 311 | P | 36.2 | Very low | 41.5 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | trans | -104.4 | 151.2 | 168.1 | 36.4 | -27.2 | 0 | 0 | 0 | 110.5 | ||||
| 312 | R | 39.6 | Very low | 41.8 | Very low | 233 Ų | 233 | 148.6 Ų | 148.6 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 138.9 | 134 | 162.9 | -84.7 | 176.3 | 179.8 | -161.7 | -0.6 | 108.6 | ||||
| 313 | M | 37.7 | Very low | 41.3 | Very low | 152 Ų | 152 | 150 Ų | 150 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | cis | -154.2 | 137 | 4.5 | -95.1 | 152.7 | 71.8 | 0 | 0 | 106.5 | ||||
| 314 | S | 39.5 | Very low | 41 | Very low | 109 Ų | 109 | 153.4 Ų | 153.4 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -61.1 | 126 | 160.8 | 46.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 315 | M | 43.2 | Very low | 40.8 | Very low | 182 Ų | 182 | 153 Ų | 153 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -97.2 | 105.8 | 159 | -76 | -165 | 89.8 | 0 | 0 | 108.2 | ||||
| 316 | D | 39.6 | Very low | 40.6 | Very low | 135 Ų | 135 | 156.6 Ų | 156.6 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | 1.3 | 114 | 157.5 | -56.2 | -34.1 | 0 | 0 | 0 | 117.6 | V318 | D316-V318 PolarHBondContact O-N 3.4Å; D316-V318 VanDerWaalsContact O-N 3.15Å | ||
| 317 | S | 41.5 | Very low | 40.4 | Very low | 103 Ų | 103 | 159.5 Ų | 159.5 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -56.3 | 110 | 150.6 | 54.7 | 0 | 0 | 0 | 0 | 109.2 | I319 | S317-I319 PolarHBondContact O-N 3.23Š| ||
| 318 | V | 41 | Very low | 39.8 | Very low | 138 Ų | 138 | 157.9 Ų | 157.9 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -70 | 98.9 | 166.9 | 177.6 | 0 | 0 | 0 | 0 | 107.6 | D316 Y320 | D316-V318 PolarHBondContact O-N 3.4Å; D316-V318 VanDerWaalsContact O-N 3.15Å; V318-Y320 PolarHBondContact O-N 2.94Å; V318-Y320 VanDerWaalsContact O-N 3.08Å | ||
| 319 | I | 40.9 | Very low | 39.7 | Very low | 127 Ų | 127 | 156.4 Ų | 156.4 | 65% | 0.651 | 80% | 0.798 | S | S | * | * | trans | -67.5 | 101.9 | 170 | -61.6 | 173.2 | 0 | 0 | 0 | 107.5 | S317 R321 | S317-I319 PolarHBondContact O-N 3.23Å; I319-R321 HydrophobicContact CG2-CG 3.88Å; I319-R321 PolarHBondContact O-N 3.26Å | ||
| 320 | Y | 35.4 | Very low | 39.7 | Very low | 203 Ų | 203 | 153.6 Ų | 153.6 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -69 | 106.5 | 163 | -172.9 | -96.8 | 0 | 0 | 0 | 108.4 | V318 P322 | V318-Y320 PolarHBondContact O-N 2.94Å; V318-Y320 VanDerWaalsContact O-N 3.08Å; Y320-P322 HydrophobicContact CE1-CB 4.22Å; Y320-P322 WeakPolarHBondContact O-CD 3.4Å | ||
| 321 | R | 38.9 | Very low | 39.2 | Very low | 215 Ų | 215 | 156.5 Ų | 156.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -91.8 | 110.4 | 169.4 | -72 | -171.7 | 175.9 | -146.4 | -0.8 | 109.1 | I319 C323 | I319-R321 HydrophobicContact CG2-CG 3.88Å; I319-R321 PolarHBondContact O-N 3.26Å; R321-C323 PolarHBondContact O-N 2.86Å | ||
| 322 | P | 46.9 | Very low | 39.2 | Very low | 95 Ų | 95 | 157.8 Ų | 157.8 | 62% | 0.617 | 80% | 0.803 | S | S | * | * | trans | -73.1 | 120.9 | 165.4 | 27.2 | -28.2 | 0 | 0 | 0 | 109.1 | Y320 K324 | Y320-P322 HydrophobicContact CE1-CB 4.22Å; Y320-P322 WeakPolarHBondContact O-CD 3.4Å; P322-K324 PolarHBondContact O-N 2.94Å | ||
| 323 | C | 33.8 | Very low | 39 | Very low | 131 Ų | 131 | 150 Ų | 150 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -61.2 | 117.9 | 170.2 | -105.8 | 0 | 0 | 0 | 0 | 109.7 | R321 S325 | R321-C323 PolarHBondContact O-N 2.86Å; C323-S325 PolarHBondContact O-N 2.98Å | ||
| 324 | K | 36.1 | Very low | 38.8 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -72.2 | 101 | 169.4 | -68.6 | -179.1 | 177.5 | 178.9 | 0 | 109.5 | P322 | P322-K324 PolarHBondContact O-N 2.94Š| ||
| 325 | S | 41.1 | Very low | 38.7 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -93.4 | 110.6 | 153 | 49.4 | 0 | 0 | 0 | 0 | 108.7 | C323 | C323-S325 PolarHBondContact O-N 2.98Š| ||
| 326 | K | 40.8 | Very low | 38.1 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -80 | 153.3 | 170.2 | -67.9 | 177.3 | 175.4 | 179.4 | 0 | 109.5 | ||||
| 327 | K | 39 | Very low | 38 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | 85.9 | 125.1 | 166.6 | -62.6 | 178.2 | 177.3 | -179.8 | 0 | 113.8 | ||||
| 328 | L | 36.2 | Very low | 37.8 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | cis | -150.9 | 136.7 | 16.3 | -78 | 111.7 | 0 | 0 | 0 | 108.9 | ||||
| 329 | I | 39.6 | Very low | 37.4 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 89% | 0.892 | 82% | 0.815 | S | S | * | * | trans | -133.5 | 121.5 | 151.2 | -65.8 | 179.8 | 0 | 0 | 0 | 106.6 | ||||
| 330 | N | 41.2 | Very low | 37.2 | Very low | 144 Ų | 144 | 155.4 Ų | 155.4 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | trans | -79 | 146.3 | 178.3 | -81.3 | -23.1 | 0 | 0 | 0 | 110.9 | ||||
| 331 | K | 34.6 | Very low | 37.1 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | trans | -49.5 | 142.9 | 175.6 | -65.4 | 168.4 | 169 | -178.1 | 0 | 114.3 | ||||
| 332 | C | 36.4 | Very low | 36.9 | Very low | 140 Ų | 140 | 154.1 Ų | 154.1 | 95% | 0.946 | 83% | 0.832 | S | S | * | * | -174.8 | 132.5 | 127.2 | -83.5 | 0 | 0 | 0 | 0 | 104.7 | |||||
| 333 | G | 35.4 | Very low | 36.2 | Very low | 70 Ų | 70 | 154.7 Ų | 154.7 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | cis | 162.4 | 130.3 | 7.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 334 | D | 34.7 | Very low | 36.2 | Very low | 167 Ų | 167 | 155.7 Ų | 155.7 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | 33.7 | 117.5 | 155.1 | -58.6 | -26.6 | 0 | 0 | 0 | 122.1 | ||||
| 335 | S | 37.1 | Very low | 36.3 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | -175.6 | 116.5 | 110.7 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 336 | G | 30.8 | Very low | 35.9 | Very low | 75 Ų | 75 | 152.3 Ų | 152.3 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -83.6 | 152.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 337 | I | 37.5 | Very low | 35.7 | Very low | 169 Ų | 169 | 149 Ų | 149 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -143.6 | 145.1 | 156 | -60 | -175.4 | 0 | 0 | 0 | 107.5 | ||||
| 338 | E | 37.3 | Very low | 35.5 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -68.9 | 151.1 | -154.2 | -62.4 | 164 | 147.3 | 0 | 0 | 116.7 | ||||
| 339 | E | 31.5 | Very low | 35.5 | Very low | 193 Ų | 193 | 148.5 Ų | 148.5 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -74.5 | 132 | 165.9 | -62.2 | 174.7 | 163.4 | 0 | 0 | 109.5 | ||||
| 340 | N | 37.1 | Very low | 35.1 | Very low | 159 Ų | 159 | 149 Ų | 149 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -127 | 113.5 | 161.8 | -93.1 | -27.7 | 0 | 0 | 0 | 109.4 | ||||
| 341 | E | 34.3 | Very low | 34.8 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -63.4 | 131.7 | 165.5 | -72.9 | 177.2 | 132.6 | 0 | 0 | 110.1 | ||||
| 342 | F | 33.9 | Very low | 34.7 | Very low | 201 Ų | 201 | 144.5 Ų | 144.5 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -131.6 | 110.2 | 157.1 | -158.5 | -96.6 | 0 | 0 | 0 | 110.1 | ||||
| 343 | T | 31.9 | Very low | 34.7 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 66% | 0.656 | 81% | 0.813 | S | S | * | * | trans | -84.8 | 141.5 | 171.4 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 344 | L | 34.5 | Very low | 34.5 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 80% | 0.801 | 82% | 0.815 | S | S | * | * | trans | 111.9 | 128.4 | 134.2 | -136.2 | 79.9 | 0 | 0 | 0 | 118.9 | ||||
| 345 | S | 36.9 | Very low | 34.6 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | 90.1 | 97.3 | 144.3 | 67.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 346 | T | 33.3 | Very low | 34.2 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | -74.5 | 157.2 | 152.1 | 35.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 347 | P | 37.6 | Very low | 34.4 | Very low | 112 Ų | 112 | 150.2 Ų | 150.2 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | -141.8 | 140.4 | 108.2 | 34.6 | -19.5 | 0 | 0 | 0 | 115.2 | |||||
| 348 | N | 33.6 | Very low | 34.4 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | 34.3 | 111.2 | 141.1 | -64.6 | -26.8 | 0 | 0 | 0 | 119.6 | ||||
| 349 | L | 36 | Very low | 34.3 | Very low | 178 Ų | 178 | 146 Ų | 146 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -144 | 111.7 | 136.1 | -100.7 | 119.3 | 0 | 0 | 0 | 111.9 | ||||
| 350 | F | 32.2 | Very low | 34.6 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -48.4 | 134.4 | 154.3 | -111 | -113 | 0 | 0 | 0 | 110.8 | ||||
| 351 | C | 34.3 | Very low | 34.7 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | -178.8 | 142.3 | 104 | -127.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 352 | N | 33 | Very low | 34.9 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | trans | -69.5 | 142.2 | 176.1 | -56.3 | -67.2 | 0 | 0 | 0 | 111.7 | ||||
| 353 | H | 35.7 | Very low | 35.3 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | trans | -146.5 | 104.3 | 141.4 | -114.8 | -70.9 | 0 | 0 | 0 | 109.8 | ||||
| 354 | V | 31.7 | Very low | 35.6 | Very low | 125 Ų | 125 | 143 Ų | 143 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | trans | -90.3 | 125.7 | 157.3 | 170.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 355 | T | 36.5 | Very low | 36 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | -158.1 | 127.3 | 143.7 | 42.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 356 | D | 28.8 | Very low | 36.1 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -44.2 | 144 | 171.4 | -65.9 | -59.6 | 0 | 0 | 0 | 114.7 | ||||
| 357 | S | 34.5 | Very low | 36.7 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -158.8 | 111.4 | 137.3 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 358 | S | 37.8 | Very low | 36.8 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 75.7 | 101.1 | 130.5 | -45.6 | 0 | 0 | 0 | 0 | 119.1 | E360 | S358-E360 PolarHBondContact O-N 3.26Š| ||
| 359 | V | 35.8 | Very low | 37.3 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -34.3 | 117.9 | 151.2 | -178 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 360 | E | 38 | Very low | 37.5 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -90 | 135 | 163.5 | -93.1 | -174 | 161.2 | 0 | 0 | 111 | S358 | S358-E360 PolarHBondContact O-N 3.26Š| ||
| 361 | L | 38.1 | Very low | 38.2 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -65.4 | 126.9 | -176.6 | -127.7 | 96.9 | 0 | 0 | 0 | 111.1 | T363 | L361-T363 HydrophobicContact CD2-CG2 4.47Å; L361-T363 PolarHBondContact O-N 2.87Å | ||
| 362 | V | 39.8 | Very low | 38.6 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | -80.9 | 109.7 | 163 | 179.3 | 0 | 0 | 0 | 0 | 108 | Y364 | V362-Y364 HydrophobicContact CG1-CD2 4.39Å; V362-Y364 HydrophobicContact CG1-CE2 4.46Å | ||
| 363 | T | 40.8 | Very low | 39.2 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | trans | -85.5 | 116.7 | 167.8 | 46.5 | 0 | 0 | 0 | 0 | 109.6 | L361 | L361-T363 HydrophobicContact CD2-CG2 4.47Å; L361-T363 PolarHBondContact O-N 2.87Å | ||
| 364 | Y | 39.8 | Very low | 39.4 | Very low | 215 Ų | 215 | 138.7 Ų | 138.7 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -78.7 | 109.6 | 163.9 | -92.4 | -95.1 | 0 | 0 | 0 | 108.6 | V362 | V362-Y364 HydrophobicContact CG1-CD2 4.39Å; V362-Y364 HydrophobicContact CG1-CE2 4.46Å | ||
| 365 | E | 43.1 | Very low | 40.1 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -91.8 | 100.9 | 160.6 | -77.8 | -174.5 | 160.4 | 0 | 0 | 108.7 | ||||
| 366 | S | 38.3 | Very low | 40.6 | Very low | 102 Ų | 102 | 145 Ų | 145 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -85.6 | 103.8 | 161.8 | 45.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 367 | S | 44.9 | Very low | 41.2 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | trans | -104.5 | 94 | 167.6 | -55.3 | 0 | 0 | 0 | 0 | 108.7 | D369 | S367-D369 PolarHBondContact O-N 3.06Š| ||
| 368 | D | 40 | Very low | 41.5 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -74.2 | 100.8 | 161.7 | -73.1 | -41.5 | 0 | 0 | 0 | 108.3 | ||||
| 369 | D | 43.5 | Very low | 41.7 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -115.6 | 86.6 | 164.6 | -81.7 | -35.7 | 0 | 0 | 0 | 109.7 | S367 H371 | S367-D369 PolarHBondContact O-N 3.06Å; D369-H371 PolarHBondContact O-N 3.42Å | ||
| 370 | S | 41 | Very low | 42.1 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -73.2 | 101.4 | 160.6 | 56.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 371 | H | 47.5 | Very low | 42.4 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -118.8 | 98.9 | 159 | -94.4 | -58.1 | 0 | 0 | 0 | 110.5 | D369 N373 | D369-H371 PolarHBondContact O-N 3.42Å; H371-N373 PolarHBondContact O-N 2.79Å | ||
| 372 | S | 42 | Very low | 42.6 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -61.2 | 116 | 157.6 | 51.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 373 | N | 45.8 | Very low | 42.8 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -119.1 | 104.8 | 155.9 | -86.9 | -27.7 | 0 | 0 | 0 | 107.8 | H371 | H371-N373 PolarHBondContact O-N 2.79Š| ||
| 374 | I | 39.5 | Very low | 43 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | trans | -89.2 | 119 | 159.1 | -70 | 161.7 | 0 | 0 | 0 | 104.3 | ||||
| 375 | D | 47.2 | Very low | 43.3 | Very low | 158 Ų | 158 | 145 Ų | 145 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -166.8 | 121 | 151 | -92 | -27.9 | 0 | 0 | 0 | 110 | ||||
| 376 | V | 46.3 | Very low | 43.3 | Very low | 222 Ų | 222 | 142.2 Ų | 142.2 | 100% | 1.345 | 82% | 0.823 | S | S | * | * | trans | 132.6 | 0 | 165.2 | 177.3 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 376 of 376 residues in 133.7 ms
(Link to these results)