| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.3 | Very low | 30.6 | Very low | 236 Ų | 236 | 153.2 Ų | 153.2 | 100% | 1.163 | 80% | 0.798 | S | S | * | * | 0 | 115.3 | 0 | -81.7 | 170 | 160.8 | 0 | 0 | 106.6 | |||||
| 2 | T | 33.7 | Very low | 30.4 | Very low | 123 Ų | 123 | 159.7 Ų | 159.7 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | cis | -171.2 | 118.9 | 8.1 | 18.8 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 3 | D | 30.6 | Very low | 30.2 | Very low | 156 Ų | 156 | 152.2 Ų | 152.2 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | 64.7 | 112.4 | 102.2 | -84.5 | -33.5 | 0 | 0 | 0 | 117.6 | |||||
| 4 | A | 31.8 | Very low | 29.9 | Very low | 80 Ų | 80 | 153.5 Ų | 153.5 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | 51.7 | 123.1 | 129.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 5 | N | 31.7 | Very low | 29.6 | Very low | 159 Ų | 159 | 158.2 Ų | 158.2 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | -156.4 | 123.2 | 124.4 | -115.6 | -41.4 | 0 | 0 | 0 | 114.4 | |||||
| 6 | L | 31.3 | Very low | 29.5 | Very low | 146 Ų | 146 | 160.4 Ų | 160.4 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | -65.4 | 143.9 | 162.2 | -76.2 | 83.8 | 0 | 0 | 0 | 111.1 | ||||
| 7 | R | 29.2 | Very low | 29.5 | Very low | 224 Ų | 224 | 161.3 Ų | 161.3 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | 175.5 | 124.2 | 109.7 | -114.5 | 174.6 | -101.8 | -137.3 | -6.8 | 114.8 | |||||
| 8 | N | 27.9 | Very low | 29.7 | Very low | 136 Ų | 136 | 159.7 Ų | 159.7 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | 35.7 | 114.6 | 134.3 | -85.3 | -7.2 | 0 | 0 | 0 | 120.3 | ||||
| 9 | K | 30.4 | Very low | 29.9 | Very low | 217 Ų | 217 | 160.8 Ų | 160.8 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | -135.3 | 110.2 | 124 | -114.2 | 175.7 | -178.5 | 175.6 | 0 | 109.8 | |||||
| 10 | S | 29.3 | Very low | 29.8 | Very low | 76 Ų | 76 | 158.6 Ų | 158.6 | 53% | 0.531 | 80% | 0.8 | S | S | . | * | trans | -77.1 | 152.7 | 179.4 | -52.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 11 | N | 28.3 | Very low | 30.4 | Very low | 132 Ų | 132 | 156.2 Ų | 156.2 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | 70.8 | 126 | 147.4 | -57.2 | -19.7 | 0 | 0 | 0 | 116 | ||||
| 12 | Y | 28 | Very low | 30.6 | Very low | 231 Ų | 231 | 148 Ų | 148 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | cis | -150.1 | 138.7 | 49.5 | -66.1 | -93.9 | 0 | 0 | 0 | 111.8 | ||||
| 13 | G | 28.1 | Very low | 30.7 | Very low | 63 Ų | 63 | 145 Ų | 145 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | 176.2 | 93.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y15 | G13-Y15 PolarHBondContact O-N 3.29Š| ||
| 14 | L | 25.8 | Very low | 31.1 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | trans | -53.3 | 115.2 | -178.8 | -120.8 | 83.1 | 0 | 0 | 0 | 111.1 | ||||
| 15 | Y | 26.1 | Very low | 31.5 | Very low | 224 Ų | 224 | 146.5 Ų | 146.5 | 88% | 0.878 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -74 | 123.7 | 160.9 | -81.6 | -99.1 | 0 | 0 | 0 | 108.1 | G13 | G13-Y15 PolarHBondContact O-N 3.29Š|
| 16 | F | 27.8 | Very low | 31.9 | Very low | 194 Ų | 194 | 149.3 Ų | 149.3 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 127.3 | 157.9 | -140.4 | -90.3 | 0 | 0 | 0 | 107.1 | ||
| 17 | E | 29.7 | Very low | 32.6 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 133.7 | -165.4 | -69.8 | 176.3 | 136.5 | 0 | 0 | 114.1 | F19 | E17-F19 PolarHBondContact O-N 3.04Å; E17-F19 VanDerWaalsContact O-N 3.09Å |
| 18 | T | 33.4 | Very low | 33.1 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 82% | 0.816 | 72% | 0.721 | S | S | * | * | trans | -52.8 | 108.6 | 157.4 | 39.7 | 0 | 0 | 0 | 0 | 109.3 | N20 | T18-N20 PolarHBondContact O-N 3.36Š| ||
| 19 | F | 32.2 | Very low | 33.6 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | trans | -60.6 | 119.6 | 167.7 | -152 | -100.2 | 0 | 0 | 0 | 107.9 | E17 V21 L24 | E17-F19 PolarHBondContact O-N 3.04Å; E17-F19 VanDerWaalsContact O-N 3.09Å; F19-V21 PolarHBondContact O-N 2.99Å; F19-L24 HydrophobicContact CE1-CD1 4.43Å | ||
| 20 | N | 29.2 | Very low | 33.9 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 62% | 0.62 | 71% | 0.714 | S | S | * | * | trans | -64.8 | 96.3 | -174.9 | -119.6 | -18.7 | 0 | 0 | 0 | 110.2 | T18 S22 A23 | T18-N20 PolarHBondContact O-N 3.36Å; N20-S22 PolarHBondContact O-N 3.43Å; N20-S22 VanDerWaalsContact O-N 3.12Å; N20-S22 PolarHBondContact OD1-OG 2.82Å; N20-A23 PolarHBondContact O-N 2.95Å | ||
| 21 | V | 42.3 | Very low | 34.6 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 66% | 0.661 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -56.3 | -25.7 | 176.8 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | F19 A23 L24 | F19-V21 PolarHBondContact O-N 2.99Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 3.36Å; V21-L24 PolarHBondContact O-N 2.94Å |
| 22 | S | 35.5 | Very low | 35.2 | Very low | 63 Ų | 63 | 145.2 Ų | 145.2 | 44% | 0.441 | 74% | 0.735 | S | S | . | * | H | α-helix | trans | -73 | -14.7 | -179.3 | 54.3 | 0 | 0 | 0 | 0 | 115.6 | N20 | N20-S22 PolarHBondContact O-N 3.43Å; N20-S22 VanDerWaalsContact O-N 3.12Å; N20-S22 PolarHBondContact OD1-OG 2.82Å |
| 23 | A | 36.7 | Very low | 36.1 | Very low | 61 Ų | 61 | 141.4 Ų | 141.4 | 50% | 0.504 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -90.3 | -25.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N20 V21 | N20-A23 PolarHBondContact O-N 2.95Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 3.36Å |
| 24 | L | 38.9 | Very low | 37.2 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 60% | 0.602 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -82.9 | -27.1 | 179.1 | -138.4 | 98 | 0 | 0 | 0 | 112.4 | F19 V21 R26 I27 | F19-L24 HydrophobicContact CE1-CD1 4.43Å; V21-L24 PolarHBondContact O-N 2.94Å; L24-R26 PolarHBondContact O-N 3.28Å; L24-I27 PolarHBondContact O-N 3.15Å |
| 25 | E | 39.3 | Very low | 38.4 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 71% | 0.71 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -17 | 176.4 | -104.5 | 174.2 | 164.3 | 0 | 0 | 114.2 | ||
| 26 | R | 41.6 | Very low | 39.9 | Very low | 218 Ų | 218 | 136.2 Ų | 136.2 | 82% | 0.823 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -5.1 | -179.3 | -96.3 | -168.5 | -82.7 | -179.5 | -7 | 115.2 | L24 | L24-R26 PolarHBondContact O-N 3.28Š|
| 27 | I | 45.7 | Very low | 41 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 60% | 0.595 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -17.5 | -172.5 | -58.9 | 178.3 | 0 | 0 | 0 | 112.4 | L24 | L24-I27 PolarHBondContact O-N 3.15Š|
| 28 | F | 38.6 | Very low | 42 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 67% | 0.667 | 70% | 0.697 | S | S | * | * | trans | -137.2 | 95 | -179.8 | -64.3 | -78.5 | 0 | 0 | 0 | 111.6 | D30 | F28-D30 PolarHBondContact O-N 2.78Š| ||
| 29 | P | 39.3 | Very low | 43.1 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | trans | -89.4 | 88.8 | 172.7 | 33.7 | -24.1 | 0 | 0 | 0 | 108.2 | ||||
| 30 | D | 37.1 | Very low | 44.3 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 79% | 0.786 | 67% | 0.672 | S | S | * | * | trans | -154.3 | 118.4 | 160.6 | -88.8 | -39 | 0 | 0 | 0 | 110.1 | F28 N32 | F28-D30 PolarHBondContact O-N 2.78Å; D30-N32 VanDerWaalsContact C-N 3.31Å; D30-N32 PolarHBondContact O-N 3.07Å | ||
| 31 | D | 43.3 | Very low | 46.1 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 88% | 0.882 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 65.2 | -173.3 | -76.8 | -45.7 | 0 | 0 | 0 | 114.9 | ||
| 32 | N | 40.6 | Very low | 47.9 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 80% | 0.797 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.6 | 1.3 | 168.2 | -85.7 | -38.7 | 0 | 0 | 0 | 115 | D30 T34 | D30-N32 VanDerWaalsContact C-N 3.31Å; D30-N32 PolarHBondContact O-N 3.07Å; N32-T34 PolarHBondContact O-N 3.05Å |
| 33 | I | 46.2 | Very low | 50.2 | Low | 151 Ų | 151 | 125.7 Ų | 125.7 | 77% | 0.774 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -103.8 | 59.1 | -178.3 | -48.4 | 178.4 | 0 | 0 | 0 | 110.2 | ||
| 34 | T | 51 | Low | 52.5 | Low | 131 Ų | 131 | 129.8 Ų | 129.8 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | trans | -160.2 | 81.2 | 166.3 | 0.3 | 0 | 0 | 0 | 0 | 110 | N32 | N32-T34 PolarHBondContact O-N 3.05Š| ||
| 35 | K | 51.9 | Low | 54.8 | Low | 161 Ų | 161 | 126.3 Ų | 126.3 | 70% | 0.7 | 67% | 0.666 | S | S | * | * | trans | -163.1 | 16.3 | 164.6 | -111.5 | 169.7 | -164.9 | -174.4 | 0 | 116.3 | T193 | K35-T193 HydrophobicContact CB-CG2 4.28Š| ||
| 36 | C | 56.9 | Low | 57.1 | Low | 55 Ų | 55 | 122 Ų | 122 | 37% | 0.372 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -99.1 | 109.3 | 160.2 | -72.5 | 0 | 0 | 0 | 0 | 106.6 | C110 V112 | C36-C110 HydrophobicContact CB-CB 4.11Å; C36-C110 WeakPolarHBondContact CB-SG 3.26Å; C36-C110 WeakPolarHBondContact SG-CB 3.35Å; C36-C110 CovalentContact SG-SG 2Å; C36-C110 PolarHBondContact SG-SG 3.44Å; C36-V112 VanDerWaalsContact SG-CG1 3.58Å |
| 37 | G | 51.4 | Low | 59.4 | Low | 69 Ų | 69 | 113.4 Ų | 113.4 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | trans | -53.3 | 151.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F39 | G37-F39 PolarHBondContact O-N 3.44Å; G37-F39 VanDerWaalsContact O-N 3.14Å | ||
| 38 | N | 51.1 | Low | 61.5 | Low | 154 Ų | 154 | 110.8 Ų | 110.8 | 82% | 0.824 | 62% | 0.619 | S | S | * | * | trans | -38.9 | 118.5 | 179.7 | -69.1 | -21.4 | 0 | 0 | 0 | 111.5 | T40 | N38-T40 VanDerWaalsContact C-N 3.27Å; N38-T40 PolarHBondContact O-N 3.47Å | ||
| 39 | F | 55.7 | Low | 64 | Low | 107 Ų | 107 | 104.6 Ų | 104.6 | 47% | 0.469 | 60% | 0.598 | S | S | . | * | trans | -60.2 | 91.9 | 171 | -175.6 | -97.9 | 0 | 0 | 0 | 108.5 | G37 M41 V45 V107 L108 | G37-F39 PolarHBondContact O-N 3.44Å; G37-F39 VanDerWaalsContact O-N 3.14Å; F39-M41 HydrophobicContact CD1-CE 4.21Å; F39-M41 HydrophobicContact CD1-CG 4.26Å; F39-M41 HydrophobicContact CD1-SD 4.5Å; F39-M41 HydrophobicContact CE1-CE 3.72Å; F39-M41 HydrophobicContact CE1-CG 4.02Å; F39-M41 HydrophobicContact CE1-SD 3.76Å; F39-V45 HydrophobicContact CE2-CG1 4.38Å; F39-V107 HydrophobicContact CE2-CG1 4.02Å; F39-L108 HydrophobicContact CD2-CD2 4.33Å | ||
| 40 | T | 58.7 | Low | 66.5 | Low | 99 Ų | 99 | 104.1 Ų | 104.1 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | trans | -76 | 125.3 | 170.4 | 50.5 | 0 | 0 | 0 | 0 | 106.5 | N38 D42 | N38-T40 VanDerWaalsContact C-N 3.27Å; N38-T40 PolarHBondContact O-N 3.47Å; T40-D42 PolarHBondContact O-N 2.8Å | ||
| 41 | M | 66 | Low | 69.2 | Low | 149 Ų | 149 | 103.8 Ų | 103.8 | 73% | 0.734 | 58% | 0.58 | S | S | * | * | trans | -70.8 | 57.2 | 173.1 | -69.8 | -98.6 | -175.9 | 0 | 0 | 109.8 | F39 P43 | F39-M41 HydrophobicContact CD1-CE 4.21Å; F39-M41 HydrophobicContact CD1-CG 4.26Å; F39-M41 HydrophobicContact CD1-SD 4.5Å; F39-M41 HydrophobicContact CE1-CE 3.72Å; F39-M41 HydrophobicContact CE1-CG 4.02Å; F39-M41 HydrophobicContact CE1-SD 3.76Å; M41-P43 WeakPolarHBondContact O-CD 3.27Å | ||
| 42 | D | 80.8 | Confident | 71.6 | Confident | 65 Ų | 65 | 96.2 Ų | 96.2 | 35% | 0.348 | 54% | 0.54 | S | S | . | . | trans | -67.4 | 125.8 | 172.6 | -176.5 | -3.7 | 0 | 0 | 0 | 108 | T40 Q44 V45 V46 | T40-D42 PolarHBondContact O-N 2.8Å; D42-Q44 PolarHBondContact O-N 3.16Å; D42-Q44 PolarHBondContact OD1-N 2.89Å; D42-Q44 VanDerWaalsContact OD1-N 3.17Å; D42-V45 HydrophobicContact CB-CB 4.49Å; D42-V45 HydrophobicContact CB-CG2 4.11Å; D42-V45 PolarHBondContact O-N 2.96Å; D42-V46 PolarHBondContact O-N 3.45Å; D42-V46 VanDerWaalsContact O-N 3.14Å | ||
| 43 | P | 84.4 | Confident | 74.2 | Confident | 107 Ų | 107 | 92 Ų | 92 | 70% | 0.695 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -47.4 | -30.7 | 174 | -30.6 | 35.3 | 0 | 0 | 0 | 114.3 | M41 G47 | M41-P43 WeakPolarHBondContact O-CD 3.27Å; P43-G47 PolarHBondContact O-N 3.31Å |
| 44 | Q | 84.8 | Confident | 76.5 | Confident | 148 Ų | 148 | 88.7 Ų | 88.7 | 69% | 0.692 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.9 | -41.4 | 178.2 | -59.8 | -170.3 | 8.2 | 0 | 0 | 113 | D42 G47 T48 | D42-Q44 PolarHBondContact O-N 3.16Å; D42-Q44 PolarHBondContact OD1-N 2.89Å; D42-Q44 VanDerWaalsContact OD1-N 3.17Å; Q44-G47 PolarHBondContact O-N 3.07Å; Q44-T48 WeakPolarHBondContact O-CB 3.34Å; Q44-T48 PolarHBondContact O-N 3.01Å; Q44-T48 PolarHBondContact O-OG1 3.45Å |
| 45 | V | 85.6 | Confident | 78.6 | Confident | 41 Ų | 41 | 83.3 Ų | 83.3 | 25% | 0.248 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -69.3 | -43.3 | 178.7 | 176.8 | 0 | 0 | 0 | 0 | 110 | F39 D42 G47 T48 G49 V107 | F39-V45 HydrophobicContact CE2-CG1 4.38Å; D42-V45 HydrophobicContact CB-CB 4.49Å; D42-V45 HydrophobicContact CB-CG2 4.11Å; D42-V45 PolarHBondContact O-N 2.96Å; V45-G47 PolarHBondContact O-N 3.49Å; V45-T48 PolarHBondContact O-N 3.17Å; V45-G49 PolarHBondContact O-N 3.18Å; V45-V107 HydrophobicContact CG1-CG1 3.86Å |
| 46 | V | 87.6 | Confident | 80.7 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 37% | 0.37 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 175.1 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | D42 T48 G49 I50 | D42-V46 PolarHBondContact O-N 3.45Å; D42-V46 VanDerWaalsContact O-N 3.14Å; V46-T48 PolarHBondContact O-N 3.2Å; V46-G49 PolarHBondContact O-N 3.41Å; V46-I50 HydrophobicContact CG1-CD1 3.98Å; V46-I50 WeakPolarHBondContact O-CG1 3.43Å; V46-I50 PolarHBondContact O-N 3.2Å |
| 47 | G | 90.4 | Very high | 82.6 | Confident | 38 Ų | 38 | 79.1 Ų | 79.1 | 39% | 0.392 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P43 Q44 V45 I50 F51 | P43-G47 PolarHBondContact O-N 3.31Å; Q44-G47 PolarHBondContact O-N 3.07Å; V45-G47 PolarHBondContact O-N 3.49Å; G47-I50 PolarHBondContact O-N 3.47Å; G47-F51 WeakPolarHBondContact O-CB 3.24Å; G47-F51 PolarHBondContact O-N 3.09Å |
| 48 | T | 89.3 | Confident | 84.6 | Confident | 61 Ų | 61 | 79.5 Ų | 79.5 | 37% | 0.374 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 176 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | Q44 V45 V46 I50 F51 L52 E106 | Q44-T48 WeakPolarHBondContact O-CB 3.34Å; Q44-T48 PolarHBondContact O-N 3.01Å; Q44-T48 PolarHBondContact O-OG1 3.45Å; V45-T48 PolarHBondContact O-N 3.17Å; V46-T48 PolarHBondContact O-N 3.2Å; T48-I50 PolarHBondContact O-N 3.03Å; T48-F51 PolarHBondContact O-N 3.29Å; T48-L52 HydrophobicContact CG2-CD1 4Å; T48-L52 HydrophobicContact CG2-CG 4.3Å; T48-L52 VanDerWaalsContact O-CG 3.32Å; T48-L52 WeakPolarHBondContact O-CG 3.39Å; T48-L52 PolarHBondContact O-N 3.37Å; T48-E106 HydrophobicContact CG2-CG 4.34Å |
| 49 | G | 91.2 | Very high | 86.7 | Confident | 22 Ų | 22 | 72.1 Ų | 72.1 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V45 V46 L52 A53 | V45-G49 PolarHBondContact O-N 3.18Å; V46-G49 PolarHBondContact O-N 3.41Å; G49-L52 PolarHBondContact O-N 3.34Å; G49-A53 WeakPolarHBondContact O-CB 2.96Å; G49-A53 PolarHBondContact O-N 3.48Å |
| 50 | I | 93.2 | Very high | 88.7 | Confident | 107 Ų | 107 | 68.9 Ų | 68.9 | 55% | 0.549 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 176 | -67.3 | 168.4 | 0 | 0 | 0 | 110.7 | V46 G47 T48 L52 A53 V54 | V46-I50 HydrophobicContact CG1-CD1 3.98Å; V46-I50 WeakPolarHBondContact O-CG1 3.43Å; V46-I50 PolarHBondContact O-N 3.2Å; G47-I50 PolarHBondContact O-N 3.47Å; T48-I50 PolarHBondContact O-N 3.03Å; I50-L52 PolarHBondContact O-N 2.92Å; I50-A53 PolarHBondContact O-N 3.17Å; I50-V54 WeakPolarHBondContact O-CG2 3.22Å; I50-V54 PolarHBondContact O-N 3.21Å |
| 51 | F | 94.2 | Very high | 90.5 | Very high | 139 Ų | 139 | 67.5 Ų | 67.5 | 61% | 0.61 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.1 | -47.9 | 178.2 | 172.9 | -99.3 | 0 | 0 | 0 | 111.7 | G47 T48 A53 V54 F55 | G47-F51 WeakPolarHBondContact O-CB 3.24Å; G47-F51 PolarHBondContact O-N 3.09Å; T48-F51 PolarHBondContact O-N 3.29Å; F51-A53 PolarHBondContact O-N 2.95Å; F51-V54 PolarHBondContact O-N 3.05Å; F51-F55 WeakPolarHBondContact O-CB 3.36Å; F51-F55 PolarHBondContact O-N 3.11Å |
| 52 | L | 93.4 | Very high | 91.8 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 178.5 | -66.7 | -179.4 | 0 | 0 | 0 | 112.1 | T48 G49 I50 F55 I56 A103 E106 W337 | T48-L52 HydrophobicContact CG2-CD1 4Å; T48-L52 HydrophobicContact CG2-CG 4.3Å; T48-L52 VanDerWaalsContact O-CG 3.32Å; T48-L52 WeakPolarHBondContact O-CG 3.39Å; T48-L52 PolarHBondContact O-N 3.37Å; G49-L52 PolarHBondContact O-N 3.34Å; I50-L52 PolarHBondContact O-N 2.92Å; L52-F55 WeakPolarHBondContact O-CB 3.43Å; L52-F55 PolarHBondContact O-N 3.31Å; L52-I56 WeakPolarHBondContact O-CD1 3.19Å; L52-I56 WeakPolarHBondContact O-CG1 3.41Å; L52-I56 PolarHBondContact O-N 3.01Å; L52-A103 HydrophobicContact CB-CB 4.03Å; L52-A103 HydrophobicContact CD1-CB 3.87Å; L52-E106 HydrophobicContact CD1-CB 4.12Å; L52-E106 HydrophobicContact CD1-CG 4.24Å; L52-W337 HydrophobicContact CD1-CH2 4.13Å; L52-W337 HydrophobicContact CD1-CZ2 3.8Å; L52-W337 HydrophobicContact CD2-CD2 3.96Å; L52-W337 HydrophobicContact CD2-CE3 3.83Å; L52-W337 HydrophobicContact CD2-CH2 3.58Å; L52-W337 HydrophobicContact CD2-CZ2 3.68Å; L52-W337 HydrophobicContact CD2-CZ3 3.64Å; L52-W337 HydrophobicContact CG-CH2 4.34Å; L52-W337 HydrophobicContact CG-CZ2 4.36Å |
| 53 | A | 94.3 | Very high | 92.6 | Very high | 59 Ų | 59 | 57.9 Ų | 57.9 | 49% | 0.488 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G49 I50 F51 F55 I56 L57 | G49-A53 WeakPolarHBondContact O-CB 2.96Å; G49-A53 PolarHBondContact O-N 3.48Å; I50-A53 PolarHBondContact O-N 3.17Å; F51-A53 PolarHBondContact O-N 2.95Å; A53-F55 VanDerWaalsContact C-N 3.35Å; A53-I56 PolarHBondContact O-N 2.89Å; A53-L57 WeakPolarHBondContact O-CB 3.21Å; A53-L57 PolarHBondContact O-N 2.98Å |
| 54 | V | 95.3 | Very high | 93.1 | Very high | 82 Ų | 82 | 56 Ų | 56 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 174.9 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | I50 F51 I56 L57 V58 | I50-V54 WeakPolarHBondContact O-CG2 3.22Å; I50-V54 PolarHBondContact O-N 3.21Å; F51-V54 PolarHBondContact O-N 3.05Å; V54-I56 PolarHBondContact O-N 2.78Å; V54-L57 PolarHBondContact O-N 3.35Å; V54-V58 HydrophobicContact CG1-CG2 4.4Å; V54-V58 VanDerWaalsContact O-CG2 3.32Å; V54-V58 WeakPolarHBondContact O-CG2 3.49Å; V54-V58 PolarHBondContact O-N 3.39Å |
| 55 | F | 94.6 | Very high | 93.5 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.8 | -49.7 | 176.5 | 171.7 | -102.2 | 0 | 0 | 0 | 111.9 | F51 L52 A53 L57 V58 A59 L99 W337 F341 C344 | F51-F55 WeakPolarHBondContact O-CB 3.36Å; F51-F55 PolarHBondContact O-N 3.11Å; L52-F55 WeakPolarHBondContact O-CB 3.43Å; L52-F55 PolarHBondContact O-N 3.31Å; A53-F55 VanDerWaalsContact C-N 3.35Å; F55-L57 PolarHBondContact O-N 2.92Å; F55-V58 PolarHBondContact O-N 2.82Å; F55-A59 PolarHBondContact O-N 3.45Å; F55-L99 HydrophobicContact CD1-CD1 4.47Å; F55-L99 HydrophobicContact CE1-CD1 3.83Å; F55-L99 HydrophobicContact CE1-CD2 4.48Å; F55-W337 HydrophobicContact CD1-CE3 4.21Å; F55-W337 AromaticContact CD1-CZ3 3.84Å; F55-W337 HydrophobicContact CD1-CZ3 3.84Å; F55-W337 AromaticContact CE1-CE3 3.9Å; F55-W337 HydrophobicContact CE1-CE3 3.9Å; F55-W337 AromaticContact CE1-CZ3 3.72Å; F55-W337 HydrophobicContact CE1-CZ3 3.72Å; F55-F341 HydrophobicContact CD2-CD2 4.28Å; F55-F341 HydrophobicContact CE2-CB 4.27Å; F55-F341 AromaticContact CE2-CD2 3.69Å; F55-F341 HydrophobicContact CE2-CD2 3.69Å; F55-F341 HydrophobicContact CE2-CG 4.44Å; F55-C344 HydrophobicContact CE2-CB 4.11Å; F55-C344 WeakPolarHBondContact CE2-SG 3.49Å |
| 56 | I | 96 | Very high | 93.9 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 177.5 | -67.3 | 165.5 | 0 | 0 | 0 | 111 | L52 A53 V54 V58 A59 I60 L99 P100 A103 | L52-I56 WeakPolarHBondContact O-CD1 3.19Å; L52-I56 WeakPolarHBondContact O-CG1 3.41Å; L52-I56 PolarHBondContact O-N 3.01Å; A53-I56 PolarHBondContact O-N 2.89Å; V54-I56 PolarHBondContact O-N 2.78Å; I56-V58 VanDerWaalsContact C-N 3.33Å; I56-V58 PolarHBondContact O-N 3.4Å; I56-A59 WeakPolarHBondContact O-CB 3.45Å; I56-A59 PolarHBondContact O-N 3.12Å; I56-I60 HydrophobicContact CG2-CD1 3.7Å; I56-I60 HydrophobicContact CG2-CG1 4.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.4Å; I56-I60 PolarHBondContact O-N 3.01Å; I56-L99 HydrophobicContact CD1-CB 4.06Å; I56-L99 HydrophobicContact CG1-CB 3.74Å; I56-L99 HydrophobicContact CG1-CD1 4.25Å; I56-P100 HydrophobicContact CG2-CG 4.45Å; I56-A103 HydrophobicContact CD1-CB 3.94Å |
| 57 | L | 96 | Very high | 94.3 | Very high | 110 Ų | 110 | 47.2 Ų | 47.2 | 58% | 0.576 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.7 | -43.6 | 179 | -175.3 | 71.2 | 0 | 0 | 0 | 111.6 | A53 V54 F55 A59 I60 V61 | A53-L57 WeakPolarHBondContact O-CB 3.21Å; A53-L57 PolarHBondContact O-N 2.98Å; V54-L57 PolarHBondContact O-N 3.35Å; F55-L57 PolarHBondContact O-N 2.92Å; L57-A59 VanDerWaalsContact C-N 3.34Å; L57-I60 PolarHBondContact O-N 3.42Å; L57-V61 HydrophobicContact CD1-CG2 4.09Å; L57-V61 HydrophobicContact CG-CG2 4.26Å; L57-V61 WeakPolarHBondContact O-CB 3.45Å; L57-V61 VanDerWaalsContact O-CG2 3.28Å; L57-V61 WeakPolarHBondContact O-CG2 3.22Å; L57-V61 PolarHBondContact O-N 3.41Å |
| 58 | V | 94.9 | Very high | 94.4 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 46% | 0.461 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 176.3 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | V54 F55 I56 G62 C344 | V54-V58 HydrophobicContact CG1-CG2 4.4Å; V54-V58 VanDerWaalsContact O-CG2 3.32Å; V54-V58 WeakPolarHBondContact O-CG2 3.49Å; V54-V58 PolarHBondContact O-N 3.39Å; F55-V58 PolarHBondContact O-N 2.82Å; I56-V58 VanDerWaalsContact C-N 3.33Å; I56-V58 PolarHBondContact O-N 3.4Å; V58-G62 WeakPolarHBondContact O-CA 3.43Å; V58-G62 PolarHBondContact O-N 2.89Å; V58-C344 HydrophobicContact CG1-CB 4.49Å |
| 59 | A | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -49.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F55 I56 L57 N63 S95 L99 C344 | F55-A59 PolarHBondContact O-N 3.45Å; I56-A59 WeakPolarHBondContact O-CB 3.45Å; I56-A59 PolarHBondContact O-N 3.12Å; L57-A59 VanDerWaalsContact C-N 3.34Å; A59-N63 WeakPolarHBondContact O-CB 3.46Å; A59-N63 PolarHBondContact O-N 3.38Å; A59-N63 PolarHBondContact O-ND2 3.23Å; A59-S95 VanDerWaalsContact CB-OG 3.29Å; A59-S95 WeakPolarHBondContact CB-OG 3.48Å; A59-L99 HydrophobicContact CB-CD1 4.42Å; A59-C344 VanDerWaalsContact CB-SG 3.52Å |
| 60 | I | 96.7 | Very high | 94.5 | Very high | 39 Ų | 39 | 45 Ų | 45 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -54.8 | -179 | -67.2 | 172.8 | 0 | 0 | 0 | 110.6 | I56 L57 G62 N63 I64 L92 I96 | I56-I60 HydrophobicContact CG2-CD1 3.7Å; I56-I60 HydrophobicContact CG2-CG1 4.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.4Å; I56-I60 PolarHBondContact O-N 3.01Å; L57-I60 PolarHBondContact O-N 3.42Å; I60-G62 VanDerWaalsContact C-N 3.33Å; I60-G62 PolarHBondContact O-N 2.93Å; I60-N63 PolarHBondContact O-N 3.42Å; I60-I64 HydrophobicContact CG2-CD1 3.65Å; I60-I64 WeakPolarHBondContact O-CB 3.31Å; I60-I64 VanDerWaalsContact O-CG1 3.24Å; I60-I64 WeakPolarHBondContact O-CG1 3.4Å; I60-I64 PolarHBondContact O-N 3.08Å; I60-L92 HydrophobicContact CB-CD1 4.39Å; I60-L92 HydrophobicContact CG1-CD1 4.49Å; I60-L92 HydrophobicContact CG2-CD1 4.05Å; I60-I96 HydrophobicContact CD1-CG1 4.12Å; I60-I96 HydrophobicContact CG1-CG1 4.19Å |
| 61 | V | 95.8 | Very high | 94.2 | Very high | 70 Ų | 70 | 43 Ų | 43 | 42% | 0.424 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -43.1 | -177.2 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | L57 I64 L65 | L57-V61 HydrophobicContact CD1-CG2 4.09Å; L57-V61 HydrophobicContact CG-CG2 4.26Å; L57-V61 WeakPolarHBondContact O-CB 3.45Å; L57-V61 VanDerWaalsContact O-CG2 3.28Å; L57-V61 WeakPolarHBondContact O-CG2 3.22Å; L57-V61 PolarHBondContact O-N 3.41Å; V61-I64 PolarHBondContact O-N 2.73Å; V61-L65 HydrophobicContact CG1-CD1 4.05Å; V61-L65 HydrophobicContact CG1-CG 4.42Å; V61-L65 WeakPolarHBondContact O-CB 3.29Å; V61-L65 VanDerWaalsContact O-CG 3.28Å; V61-L65 WeakPolarHBondContact O-CG 3.16Å; V61-L65 PolarHBondContact O-N 3.05Å |
| 62 | G | 94.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.1 | -51.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V58 I60 I64 L65 V66 P347 | V58-G62 WeakPolarHBondContact O-CA 3.43Å; V58-G62 PolarHBondContact O-N 2.89Å; I60-G62 VanDerWaalsContact C-N 3.33Å; I60-G62 PolarHBondContact O-N 2.93Å; G62-I64 PolarHBondContact O-N 3.29Å; G62-L65 WeakPolarHBondContact O-CB 3.4Å; G62-L65 PolarHBondContact O-N 2.92Å; G62-V66 WeakPolarHBondContact O-CG2 3.2Å; G62-V66 PolarHBondContact O-N 3.06Å; G62-P347 VanDerWaalsContact C-CB 3.49Å |
| 63 | N | 96 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.3 | -35.9 | -178.4 | -74.4 | -60.9 | 0 | 0 | 0 | 112.4 | A59 I60 L65 V66 I67 A88 L92 S343 | A59-N63 WeakPolarHBondContact O-CB 3.46Å; A59-N63 PolarHBondContact O-N 3.38Å; A59-N63 PolarHBondContact O-ND2 3.23Å; I60-N63 PolarHBondContact O-N 3.42Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-L65 PolarHBondContact O-N 3.4Å; N63-V66 WeakPolarHBondContact O-CB 3.41Å; N63-V66 PolarHBondContact O-N 2.88Å; N63-I67 WeakPolarHBondContact O-CG1 3.3Å; N63-I67 PolarHBondContact O-N 3.2Å; N63-I67 VanDerWaalsContact O-N 3.08Å; N63-A88 HydrophobicContact CB-CB 4.4Å; N63-L92 HydrophobicContact CB-CB 4.3Å; N63-S343 PolarHBondContact ND2-O 3.32Å |
| 64 | I | 95.6 | Very high | 92.9 | Very high | 69 Ų | 69 | 42.4 Ų | 42.4 | 35% | 0.354 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 170.7 | -69.4 | 169 | 0 | 0 | 0 | 111.1 | I60 V61 G62 V66 I67 L68 L92 | I60-I64 HydrophobicContact CG2-CD1 3.65Å; I60-I64 WeakPolarHBondContact O-CB 3.31Å; I60-I64 VanDerWaalsContact O-CG1 3.24Å; I60-I64 WeakPolarHBondContact O-CG1 3.4Å; I60-I64 PolarHBondContact O-N 3.08Å; V61-I64 PolarHBondContact O-N 2.73Å; G62-I64 PolarHBondContact O-N 3.29Å; I64-V66 VanDerWaalsContact C-N 3.32Å; I64-V66 PolarHBondContact O-N 2.99Å; I64-I67 PolarHBondContact O-N 2.97Å; I64-L68 HydrophobicContact CG2-CD1 3.77Å; I64-L68 HydrophobicContact CG2-CG 4.14Å; I64-L68 WeakPolarHBondContact O-CB 3.37Å; I64-L68 WeakPolarHBondContact O-CG 3.49Å; I64-L68 PolarHBondContact O-N 3.07Å; I64-L92 HydrophobicContact CD1-CD1 4.33Å; I64-L92 HydrophobicContact CG1-CD1 3.94Å; I64-L92 HydrophobicContact CG1-CD2 4.12Å |
| 65 | L | 93.9 | Very high | 92.2 | Very high | 31 Ų | 31 | 46.3 Ų | 46.3 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -39 | 177.3 | -74.1 | 172.1 | 0 | 0 | 0 | 112 | V61 G62 N63 L68 S69 F361 L364 L365 | V61-L65 HydrophobicContact CG1-CD1 4.05Å; V61-L65 HydrophobicContact CG1-CG 4.42Å; V61-L65 WeakPolarHBondContact O-CB 3.29Å; V61-L65 VanDerWaalsContact O-CG 3.28Å; V61-L65 WeakPolarHBondContact O-CG 3.16Å; V61-L65 PolarHBondContact O-N 3.05Å; G62-L65 WeakPolarHBondContact O-CB 3.4Å; G62-L65 PolarHBondContact O-N 2.92Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-L65 PolarHBondContact O-N 3.4Å; L65-L68 PolarHBondContact O-N 2.84Å; L65-S69 VanDerWaalsContact O-CB 3.23Å; L65-S69 WeakPolarHBondContact O-CB 3.49Å; L65-S69 PolarHBondContact O-N 3.44Å; L65-F361 HydrophobicContact CB-CD1 4.28Å; L65-F361 HydrophobicContact CB-CE1 3.68Å; L65-F361 HydrophobicContact CB-CZ 3.82Å; L65-F361 HydrophobicContact CD1-CD1 4.4Å; L65-F361 HydrophobicContact CD1-CE1 4.24Å; L65-L364 HydrophobicContact CD2-CB 4.34Å; L65-L364 HydrophobicContact CD2-CD1 4.48Å; L65-L365 HydrophobicContact CD1-CD2 4.45Å |
| 66 | V | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.4 | -51.7 | 173.9 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | G62 N63 I64 L68 S69 V70 I84 A88 P347 Y350 F361 | G62-V66 WeakPolarHBondContact O-CG2 3.2Å; G62-V66 PolarHBondContact O-N 3.06Å; N63-V66 WeakPolarHBondContact O-CB 3.41Å; N63-V66 PolarHBondContact O-N 2.88Å; I64-V66 VanDerWaalsContact C-N 3.32Å; I64-V66 PolarHBondContact O-N 2.99Å; V66-L68 PolarHBondContact O-N 3.28Å; V66-S69 WeakPolarHBondContact O-CB 3.36Å; V66-S69 PolarHBondContact O-N 3.29Å; V66-S69 PolarHBondContact O-OG 2.93Å; V66-V70 PolarHBondContact O-N 3.22Å; V66-I84 HydrophobicContact CG1-CG2 3.89Å; V66-A88 HydrophobicContact CB-CB 4.08Å; V66-A88 HydrophobicContact CG1-CB 3.86Å; V66-P347 HydrophobicContact CG2-CB 3.95Å; V66-P347 HydrophobicContact CG2-CG 4.11Å; V66-Y350 HydrophobicContact CG1-CD2 4.19Å; V66-Y350 HydrophobicContact CG1-CE2 4.26Å; V66-Y350 HydrophobicContact CG2-CD2 3.88Å; V66-Y350 HydrophobicContact CG2-CE2 4.31Å; V66-F361 HydrophobicContact CB-CZ 4.5Å; V66-F361 HydrophobicContact CG2-CE2 4.43Å; V66-F361 HydrophobicContact CG2-CZ 3.78Å |
| 67 | I | 94.6 | Very high | 91.3 | Very high | 34 Ų | 34 | 49.2 Ų | 49.2 | 17% | 0.174 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -50.9 | 179.6 | -63.2 | 168 | 0 | 0 | 0 | 110.6 | N63 I64 S69 V70 V71 V85 A88 M89 L92 | N63-I67 WeakPolarHBondContact O-CG1 3.3Å; N63-I67 PolarHBondContact O-N 3.2Å; N63-I67 VanDerWaalsContact O-N 3.08Å; I64-I67 PolarHBondContact O-N 2.97Å; I67-S69 VanDerWaalsContact C-N 3.26Å; I67-S69 PolarHBondContact O-N 3.49Å; I67-V70 PolarHBondContact O-N 3.41Å; I67-V71 HydrophobicContact CG2-CG2 4.21Å; I67-V71 WeakPolarHBondContact O-CG2 3.47Å; I67-V71 PolarHBondContact O-N 3.41Å; I67-V85 HydrophobicContact CG1-CG1 4.38Å; I67-V85 HydrophobicContact CG2-CG1 4.49Å; I67-A88 HydrophobicContact CD1-CB 4.37Å; I67-A88 HydrophobicContact CG1-CB 3.89Å; I67-M89 HydrophobicContact CD1-CG 4.04Å; I67-L92 HydrophobicContact CD1-CD2 4.1Å |
| 68 | L | 92.3 | Very high | 90.8 | Very high | 69 Ų | 69 | 47.2 Ų | 47.2 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.8 | -33.6 | 179.8 | -70.7 | 178.5 | 0 | 0 | 0 | 112.5 | I64 L65 V66 V70 V71 C72 L364 | I64-L68 HydrophobicContact CG2-CD1 3.77Å; I64-L68 HydrophobicContact CG2-CG 4.14Å; I64-L68 WeakPolarHBondContact O-CB 3.37Å; I64-L68 WeakPolarHBondContact O-CG 3.49Å; I64-L68 PolarHBondContact O-N 3.07Å; L65-L68 PolarHBondContact O-N 2.84Å; V66-L68 PolarHBondContact O-N 3.28Å; L68-V70 VanDerWaalsContact C-N 3.29Å; L68-V70 PolarHBondContact O-N 2.98Å; L68-V71 PolarHBondContact O-N 3.27Å; L68-C72 WeakPolarHBondContact O-CB 3.4Å; L68-C72 PolarHBondContact O-N 3.39Å; L68-C72 PolarHBondContact O-SG 3.43Å; L68-L364 HydrophobicContact CB-CD1 3.93Å; L68-L364 HydrophobicContact CB-CD2 3.96Å |
| 69 | S | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -38.1 | -179.2 | 77.7 | 0 | 0 | 0 | 0 | 111.8 | L65 V66 I67 N73 F357 | L65-S69 VanDerWaalsContact O-CB 3.23Å; L65-S69 WeakPolarHBondContact O-CB 3.49Å; L65-S69 PolarHBondContact O-N 3.44Å; V66-S69 WeakPolarHBondContact O-CB 3.36Å; V66-S69 PolarHBondContact O-N 3.29Å; V66-S69 PolarHBondContact O-OG 2.93Å; I67-S69 VanDerWaalsContact C-N 3.26Å; I67-S69 PolarHBondContact O-N 3.49Å; S69-N73 WeakPolarHBondContact O-CB 3.28Å; S69-N73 PolarHBondContact O-ND2 2.96Å; S69-F357 WeakPolarHBondContact OG-CD1 3.37Å; S69-F357 WeakPolarHBondContact OG-CE1 3.41Å |
| 70 | V | 91.1 | Very high | 90 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -79.7 | -48.2 | 177.6 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | V66 I67 L68 C72 N73 Q77 N81 V85 F357 | V66-V70 PolarHBondContact O-N 3.22Å; I67-V70 PolarHBondContact O-N 3.41Å; L68-V70 VanDerWaalsContact C-N 3.29Å; L68-V70 PolarHBondContact O-N 2.98Å; V70-C72 VanDerWaalsContact C-N 3.31Å; V70-C72 PolarHBondContact O-N 2.94Å; V70-N73 PolarHBondContact O-N 2.92Å; V70-Q77 HydrophobicContact CG1-CG 4.36Å; V70-Q77 WeakPolarHBondContact O-CG 3.43Å; V70-Q77 PolarHBondContact O-NE2 2.98Å; V70-N81 HydrophobicContact CG1-CB 4.22Å; V70-N81 HydrophobicContact CG2-CB 4.19Å; V70-V85 HydrophobicContact CB-CG2 3.74Å; V70-V85 HydrophobicContact CG1-CG2 3.92Å; V70-V85 HydrophobicContact CG2-CG2 3.8Å; V70-F357 HydrophobicContact CG2-CE1 3.81Å; V70-F357 HydrophobicContact CG2-CZ 4.11Å |
| 71 | V | 88.8 | Confident | 89.7 | Confident | 65 Ų | 65 | 44.4 Ų | 44.4 | 39% | 0.394 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.2 | -35.7 | -177.4 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | I67 L68 Q77 | I67-V71 HydrophobicContact CG2-CG2 4.21Å; I67-V71 WeakPolarHBondContact O-CG2 3.47Å; I67-V71 PolarHBondContact O-N 3.41Å; L68-V71 PolarHBondContact O-N 3.27Å; V71-Q77 PolarHBondContact O-NE2 3.26Å; V71-Q77 VanDerWaalsContact O-NE2 3.11Å |
| 72 | C | 86.3 | Confident | 89.5 | Confident | 40 Ų | 40 | 45.7 Ų | 45.7 | 27% | 0.27 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -84.9 | -16.1 | -178.4 | -65.3 | 0 | 0 | 0 | 0 | 114.1 | L68 V70 C369 | L68-C72 WeakPolarHBondContact O-CB 3.4Å; L68-C72 PolarHBondContact O-N 3.39Å; L68-C72 PolarHBondContact O-SG 3.43Å; V70-C72 VanDerWaalsContact C-N 3.31Å; V70-C72 PolarHBondContact O-N 2.94Å; C72-C369 HydrophobicContact CB-CB 4.28Å |
| 73 | N | 85.8 | Confident | 89.5 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 8% | 0.08 | 23% | 0.227 | C | C | . | . | trans | -118.6 | 101.9 | -176.7 | -66.5 | -75.5 | 0 | 0 | 0 | 111.1 | S69 V70 H75 L76 A360 | S69-N73 WeakPolarHBondContact O-CB 3.28Å; S69-N73 PolarHBondContact O-ND2 2.96Å; V70-N73 PolarHBondContact O-N 2.92Å; N73-H75 PolarHBondContact O-N 3.18Å; N73-L76 HydrophobicContact CB-CB 4.26Å; N73-L76 HydrophobicContact CB-CD1 4.05Å; N73-L76 HydrophobicContact CB-CG 4.2Å; N73-L76 WeakPolarHBondContact O-CA 3.24Å; N73-L76 WeakPolarHBondContact O-CB 3.47Å; N73-L76 PolarHBondContact O-N 3.28Å; N73-A360 VanDerWaalsContact ND2-CB 3.32Å; N73-A360 WeakPolarHBondContact ND2-CB 3Å | ||
| 74 | K | 81.8 | Confident | 89.3 | Confident | 139 Ų | 139 | 45.7 Ų | 45.7 | 60% | 0.604 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -50.8 | -34.9 | 177.2 | -67.8 | -168.5 | 175 | -168 | 0 | 114.5 | L76 Q77 | K74-L76 PolarHBondContact O-N 3.42Å; K74-Q77 WeakPolarHBondContact O-CB 3.31Å; K74-Q77 PolarHBondContact O-N 3.48Å; K74-Q77 VanDerWaalsContact O-N 3.14Å |
| 75 | H | 80.7 | Confident | 89.3 | Confident | 163 Ų | 163 | 43.2 Ų | 43.2 | 76% | 0.755 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -66.5 | -22.7 | 177.7 | -177.2 | -76.3 | 0 | 0 | 0 | 113.4 | N73 | N73-H75 PolarHBondContact O-N 3.18Š|
| 76 | L | 83.8 | Confident | 89.3 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -92.2 | -3.5 | 176.2 | -69.5 | 177.3 | 0 | 0 | 0 | 112.4 | N73 K74 N78 N81 E356 A360 | N73-L76 HydrophobicContact CB-CB 4.26Å; N73-L76 HydrophobicContact CB-CD1 4.05Å; N73-L76 HydrophobicContact CB-CG 4.2Å; N73-L76 WeakPolarHBondContact O-CA 3.24Å; N73-L76 WeakPolarHBondContact O-CB 3.47Å; N73-L76 PolarHBondContact O-N 3.28Å; K74-L76 PolarHBondContact O-N 3.42Å; L76-N78 PolarHBondContact O-N 3.08Å; L76-N81 VanDerWaalsContact O-CB 3.24Å; L76-N81 WeakPolarHBondContact O-CB 3.34Å; L76-N81 PolarHBondContact O-ND2 2.91Å; L76-E356 HydrophobicContact CD2-CB 3.76Å; L76-A360 HydrophobicContact CD1-CB 3.64Å |
| 77 | Q | 86.4 | Confident | 89.3 | Confident | 89 Ų | 89 | 42.3 Ų | 42.3 | 42% | 0.416 | 21% | 0.211 | S | C | . | . | trans | -82.7 | 71 | 179.6 | -65.5 | 174.5 | -14.8 | 0 | 0 | 110.1 | V70 V71 K74 | V70-Q77 HydrophobicContact CG1-CG 4.36Å; V70-Q77 WeakPolarHBondContact O-CG 3.43Å; V70-Q77 PolarHBondContact O-NE2 2.98Å; V71-Q77 PolarHBondContact O-NE2 3.26Å; V71-Q77 VanDerWaalsContact O-NE2 3.11Å; K74-Q77 WeakPolarHBondContact O-CB 3.31Å; K74-Q77 PolarHBondContact O-N 3.48Å; K74-Q77 VanDerWaalsContact O-N 3.14Å | ||
| 78 | N | 85.7 | Confident | 89.4 | Confident | 68 Ų | 68 | 40.8 Ų | 40.8 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -114.7 | 162.6 | 171.8 | 64.9 | 33.7 | 0 | 0 | 0 | 109.7 | L76 T80 N81 F82 | L76-N78 PolarHBondContact O-N 3.08Å; N78-T80 VanDerWaalsContact C-N 3.28Å; N78-T80 PolarHBondContact O-N 3.42Å; N78-T80 PolarHBondContact OD1-N 2.86Å; N78-N81 PolarHBondContact ND2-ND2 2.86Å; N78-N81 PolarHBondContact O-N 2.86Å; N78-N81 VanDerWaalsContact O-N 3.08Å; N78-N81 WeakPolarHBondContact OD1-CB 3.41Å; N78-N81 PolarHBondContact OD1-N 3.48Å; N78-N81 PolarHBondContact OD1-ND2 2.59Å; N78-N81 PolarHBondContact OD1-OD1 3.06Å; N78-F82 VanDerWaalsContact O-CD2 3.26Å; N78-F82 WeakPolarHBondContact O-CD2 3.47Å; N78-F82 PolarHBondContact O-N 3.31Å; N78-F82 VanDerWaalsContact O-N 3.15Å |
| 79 | I | 87.9 | Confident | 89.6 | Confident | 29 Ų | 29 | 42.1 Ų | 42.1 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.5 | -39.9 | -173.9 | -59.3 | 168.4 | 0 | 0 | 0 | 111.8 | N81 F82 F83 M157 E159 A162 | I79-N81 VanDerWaalsContact C-N 3.32Å; I79-N81 PolarHBondContact O-N 3.35Å; I79-F82 WeakPolarHBondContact O-CB 3.44Å; I79-F82 PolarHBondContact O-N 3.11Å; I79-F82 VanDerWaalsContact O-N 3.12Å; I79-F83 HydrophobicContact CG2-CE2 3.99Å; I79-F83 HydrophobicContact CG2-CZ 4.34Å; I79-F83 WeakPolarHBondContact O-CD2 3.41Å; I79-F83 PolarHBondContact O-N 3.27Å; I79-M157 HydrophobicContact CB-CG 4.49Å; I79-M157 HydrophobicContact CD1-CG 4.47Å; I79-M157 WeakPolarHBondContact CD1-O 3.5Å; I79-M157 HydrophobicContact CG2-CG 3.66Å; I79-E159 HydrophobicContact CG1-CG 4.48Å; I79-A162 HydrophobicContact CG2-CB 3.61Å |
| 80 | T | 86.8 | Confident | 89.9 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.7 | -44.9 | 175 | -47 | 0 | 0 | 0 | 0 | 112.8 | N78 F82 F83 I84 D142 R143 Y153 | N78-T80 VanDerWaalsContact C-N 3.28Å; N78-T80 PolarHBondContact O-N 3.42Å; N78-T80 PolarHBondContact OD1-N 2.86Å; T80-F82 VanDerWaalsContact C-N 3.28Å; T80-F82 PolarHBondContact O-N 3.4Å; T80-F83 PolarHBondContact O-N 3.47Å; T80-I84 PolarHBondContact O-N 3.35Å; T80-D142 WeakPolarHBondContact CG2-OD2 3.2Å; T80-D142 PolarHBondContact OG1-OD2 3.42Å; T80-R143 VanDerWaalsContact CG2-NH2 3.28Å; T80-R143 PolarHBondContact OG1-NH2 3.45Å; T80-Y153 PolarHBondContact OG1-OH 3Å; T80-Y153 VanDerWaalsContact OG1-OH 3.06Å |
| 81 | N | 90.3 | Very high | 90.1 | Very high | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.064 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73.9 | -20.8 | -179 | -69 | -15.2 | 0 | 0 | 0 | 111.9 | V70 L76 N78 I79 I84 V85 | V70-N81 HydrophobicContact CG1-CB 4.22Å; V70-N81 HydrophobicContact CG2-CB 4.19Å; L76-N81 VanDerWaalsContact O-CB 3.24Å; L76-N81 WeakPolarHBondContact O-CB 3.34Å; L76-N81 PolarHBondContact O-ND2 2.91Å; N78-N81 PolarHBondContact ND2-ND2 2.86Å; N78-N81 PolarHBondContact O-N 2.86Å; N78-N81 VanDerWaalsContact O-N 3.08Å; N78-N81 WeakPolarHBondContact OD1-CB 3.41Å; N78-N81 PolarHBondContact OD1-N 3.48Å; N78-N81 PolarHBondContact OD1-ND2 2.59Å; N78-N81 PolarHBondContact OD1-OD1 3.06Å; I79-N81 VanDerWaalsContact C-N 3.32Å; I79-N81 PolarHBondContact O-N 3.35Å; N81-I84 PolarHBondContact O-N 2.95Å; N81-V85 WeakPolarHBondContact O-CG2 3.43Å; N81-V85 PolarHBondContact O-N 2.96Å |
| 82 | F | 91.7 | Very high | 90.5 | Very high | 97 Ų | 97 | 40.3 Ų | 40.3 | 43% | 0.425 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.5 | -38.1 | 168.5 | -81.1 | -77.4 | 0 | 0 | 0 | 112.1 | N78 I79 T80 I84 V85 N86 | N78-F82 VanDerWaalsContact O-CD2 3.26Å; N78-F82 WeakPolarHBondContact O-CD2 3.47Å; N78-F82 PolarHBondContact O-N 3.31Å; N78-F82 VanDerWaalsContact O-N 3.15Å; I79-F82 WeakPolarHBondContact O-CB 3.44Å; I79-F82 PolarHBondContact O-N 3.11Å; I79-F82 VanDerWaalsContact O-N 3.12Å; T80-F82 VanDerWaalsContact C-N 3.28Å; T80-F82 PolarHBondContact O-N 3.4Å; F82-I84 VanDerWaalsContact C-N 3.33Å; F82-I84 PolarHBondContact O-N 3.01Å; F82-V85 PolarHBondContact O-N 3.44Å; F82-N86 PolarHBondContact O-N 2.99Å |
| 83 | F | 93.7 | Very high | 91 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -37.4 | 172.9 | -60.7 | -58.4 | 0 | 0 | 0 | 112.2 | I79 T80 V85 N86 L87 I138 I139 D142 M157 A162 I165 L166 | I79-F83 HydrophobicContact CG2-CE2 3.99Å; I79-F83 HydrophobicContact CG2-CZ 4.34Å; I79-F83 WeakPolarHBondContact O-CD2 3.41Å; I79-F83 PolarHBondContact O-N 3.27Å; T80-F83 PolarHBondContact O-N 3.47Å; F83-V85 VanDerWaalsContact C-N 3.33Å; F83-N86 PolarHBondContact O-N 2.94Å; F83-L87 PolarHBondContact O-N 2.88Å; F83-I138 HydrophobicContact CD1-CG2 3.81Å; F83-I138 HydrophobicContact CE1-CG2 3.68Å; F83-I138 HydrophobicContact CE2-CG2 4.48Å; F83-I138 HydrophobicContact CG-CG2 4.29Å; F83-I138 HydrophobicContact CZ-CG2 4.04Å; F83-I139 HydrophobicContact CB-CD1 4.3Å; F83-I139 HydrophobicContact CB-CG1 3.67Å; F83-D142 HydrophobicContact CD2-CB 4.26Å; F83-D142 HydrophobicContact CE2-CB 4.1Å; F83-M157 HydrophobicContact CE2-CE 3.79Å; F83-M157 HydrophobicContact CZ-CE 3.84Å; F83-M157 HydrophobicContact CZ-SD 4.4Å; F83-A162 HydrophobicContact CE1-CB 4.22Å; F83-A162 HydrophobicContact CZ-CB 3.84Å; F83-I165 HydrophobicContact CE1-CG2 4.37Å; F83-L166 HydrophobicContact CD1-CD2 3.7Å; F83-L166 HydrophobicContact CD1-CG 4.25Å; F83-L166 HydrophobicContact CE1-CD2 4.08Å; F83-L166 HydrophobicContact CE1-CG 4.22Å |
| 84 | I | 93 | Very high | 91.5 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 174 | -62.9 | 175 | 0 | 0 | 0 | 110.9 | V66 T80 N81 F82 L87 A88 Y350 F357 | V66-I84 HydrophobicContact CG1-CG2 3.89Å; T80-I84 PolarHBondContact O-N 3.35Å; N81-I84 PolarHBondContact O-N 2.95Å; F82-I84 VanDerWaalsContact C-N 3.33Å; F82-I84 PolarHBondContact O-N 3.01Å; I84-L87 PolarHBondContact O-N 2.98Å; I84-A88 PolarHBondContact O-N 3.39Å; I84-Y350 HydrophobicContact CD1-CE1 4.33Å; I84-Y350 HydrophobicContact CG2-CD2 4.14Å; I84-Y350 HydrophobicContact CG2-CE1 4.13Å; I84-Y350 HydrophobicContact CG2-CE2 3.61Å; I84-F357 HydrophobicContact CD1-CE2 4.31Å; I84-F357 HydrophobicContact CD1-CZ 4.23Å |
| 85 | V | 94.3 | Very high | 92.2 | Very high | 18 Ų | 18 | 33.8 Ų | 33.8 | 11% | 0.109 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 174.1 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | I67 V70 N81 F82 F83 L87 A88 M89 | I67-V85 HydrophobicContact CG1-CG1 4.38Å; I67-V85 HydrophobicContact CG2-CG1 4.49Å; V70-V85 HydrophobicContact CB-CG2 3.74Å; V70-V85 HydrophobicContact CG1-CG2 3.92Å; V70-V85 HydrophobicContact CG2-CG2 3.8Å; N81-V85 WeakPolarHBondContact O-CG2 3.43Å; N81-V85 PolarHBondContact O-N 2.96Å; F82-V85 PolarHBondContact O-N 3.44Å; F83-V85 VanDerWaalsContact C-N 3.33Å; V85-L87 VanDerWaalsContact C-N 3.32Å; V85-L87 PolarHBondContact O-N 3.28Å; V85-A88 PolarHBondContact O-N 2.99Å; V85-M89 HydrophobicContact CG1-CG 4.44Å; V85-M89 HydrophobicContact CG1-SD 4.24Å; V85-M89 WeakPolarHBondContact O-CG 3.48Å; V85-M89 PolarHBondContact O-N 3.48Å |
| 86 | N | 95.5 | Very high | 92.9 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 5% | 0.053 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 175.5 | -173.1 | 76.6 | 0 | 0 | 0 | 111.9 | F82 F83 M89 A90 S135 L166 W170 | F82-N86 PolarHBondContact O-N 2.99Å; F83-N86 PolarHBondContact O-N 2.94Å; N86-M89 WeakPolarHBondContact O-CB 3.38Å; N86-M89 PolarHBondContact O-N 3.43Å; N86-A90 PolarHBondContact O-N 2.91Å; N86-S135 PolarHBondContact ND2-OG 3.47Å; N86-L166 HydrophobicContact CB-CD1 4.29Å; N86-L166 HydrophobicContact CB-CD2 3.64Å; N86-L166 VanDerWaalsContact CG-CD2 3.46Å; N86-W170 PolarHBondContact OD1-NE1 2.76Å |
| 87 | L | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.9 | -46.7 | 174.5 | 179.8 | 61.5 | 0 | 0 | 0 | 111.4 | F83 I84 V85 M89 A90 D91 L136 I139 Y350 | F83-L87 PolarHBondContact O-N 2.88Å; I84-L87 PolarHBondContact O-N 2.98Å; V85-L87 VanDerWaalsContact C-N 3.32Å; V85-L87 PolarHBondContact O-N 3.28Å; L87-M89 VanDerWaalsContact C-N 3.25Å; L87-M89 PolarHBondContact O-N 2.85Å; L87-A90 PolarHBondContact O-N 2.92Å; L87-D91 PolarHBondContact O-N 3.32Å; L87-L136 HydrophobicContact CD1-CG 4.31Å; L87-L136 HydrophobicContact CD2-CD2 3.64Å; L87-L136 HydrophobicContact CD2-CG 4.15Å; L87-I139 HydrophobicContact CB-CD1 4.49Å; L87-I139 HydrophobicContact CD2-CD1 4.05Å; L87-Y350 WeakPolarHBondContact CD2-OH 3.43Å |
| 88 | A | 96.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -29.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | N63 V66 I67 I84 V85 L92 | N63-A88 HydrophobicContact CB-CB 4.4Å; V66-A88 HydrophobicContact CB-CB 4.08Å; V66-A88 HydrophobicContact CG1-CB 3.86Å; I67-A88 HydrophobicContact CD1-CB 4.37Å; I67-A88 HydrophobicContact CG1-CB 3.89Å; I84-A88 PolarHBondContact O-N 3.39Å; V85-A88 PolarHBondContact O-N 2.99Å; A88-L92 WeakPolarHBondContact O-CB 3.47Å; A88-L92 PolarHBondContact O-N 3.18Å |
| 89 | M | 96.1 | Very high | 94.3 | Very high | 97 Ų | 97 | 25.4 Ų | 25.4 | 48% | 0.478 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -70.4 | -42.9 | 173.8 | -73.7 | 176.6 | 61.4 | 0 | 0 | 112 | I67 V85 N86 L87 L92 L93 | I67-M89 HydrophobicContact CD1-CG 4.04Å; V85-M89 HydrophobicContact CG1-CG 4.44Å; V85-M89 HydrophobicContact CG1-SD 4.24Å; V85-M89 WeakPolarHBondContact O-CG 3.48Å; V85-M89 PolarHBondContact O-N 3.48Å; N86-M89 WeakPolarHBondContact O-CB 3.38Å; N86-M89 PolarHBondContact O-N 3.43Å; L87-M89 VanDerWaalsContact C-N 3.25Å; L87-M89 PolarHBondContact O-N 2.85Å; M89-L92 PolarHBondContact O-N 3.44Å; M89-L93 WeakPolarHBondContact O-CB 3.41Å; M89-L93 PolarHBondContact O-N 3.34Å |
| 90 | A | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N86 L87 L92 L93 L94 A131 S132 W170 | N86-A90 PolarHBondContact O-N 2.91Å; L87-A90 PolarHBondContact O-N 2.92Å; A90-L92 VanDerWaalsContact C-N 3.32Å; A90-L92 PolarHBondContact O-N 3.3Å; A90-L93 WeakPolarHBondContact O-CB 3.49Å; A90-L93 PolarHBondContact O-N 2.82Å; A90-L94 PolarHBondContact O-N 3.46Å; A90-A131 HydrophobicContact CB-CB 4.23Å; A90-S132 VanDerWaalsContact CB-OG 3.28Å; A90-S132 WeakPolarHBondContact CB-OG 3.25Å; A90-W170 HydrophobicContact CB-CH2 4.12Å; A90-W170 HydrophobicContact CB-CZ2 4.31Å |
| 91 | D | 96.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.1 | -33.8 | 177.1 | -68.2 | -10.8 | 0 | 0 | 0 | 112 | L87 S95 S132 N346 | L87-D91 PolarHBondContact O-N 3.32Å; D91-S95 WeakPolarHBondContact O-CB 3.45Å; D91-S95 PolarHBondContact O-N 3.29Å; D91-S95 PolarHBondContact O-OG 3.47Å; D91-S132 PolarHBondContact OD1-OG 2.93Å; D91-N346 PolarHBondContact OD2-ND2 2.9Å |
| 92 | L | 96.8 | Very high | 95 | Very high | 30 Ų | 30 | 28 Ų | 28 | 16% | 0.157 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.7 | -40.3 | 174.2 | -175.1 | 64.5 | 0 | 0 | 0 | 111.7 | I60 N63 I64 I67 A88 M89 A90 S95 I96 | I60-L92 HydrophobicContact CB-CD1 4.39Å; I60-L92 HydrophobicContact CG1-CD1 4.49Å; I60-L92 HydrophobicContact CG2-CD1 4.05Å; N63-L92 HydrophobicContact CB-CB 4.3Å; I64-L92 HydrophobicContact CD1-CD1 4.33Å; I64-L92 HydrophobicContact CG1-CD1 3.94Å; I64-L92 HydrophobicContact CG1-CD2 4.12Å; I67-L92 HydrophobicContact CD1-CD2 4.1Å; A88-L92 WeakPolarHBondContact O-CB 3.47Å; A88-L92 PolarHBondContact O-N 3.18Å; M89-L92 PolarHBondContact O-N 3.44Å; A90-L92 VanDerWaalsContact C-N 3.32Å; A90-L92 PolarHBondContact O-N 3.3Å; L92-S95 PolarHBondContact O-N 3.38Å; L92-I96 HydrophobicContact CD1-CD1 3.78Å; L92-I96 HydrophobicContact CD1-CG1 4.21Å; L92-I96 HydrophobicContact CD2-CD1 4.46Å; L92-I96 HydrophobicContact CG-CD1 3.78Å; L92-I96 HydrophobicContact CG-CG1 4.49Å; L92-I96 WeakPolarHBondContact O-CG1 3.46Å; L92-I96 PolarHBondContact O-N 3.43Å |
| 93 | L | 96.4 | Very high | 95 | Very high | 56 Ų | 56 | 23.9 Ų | 23.9 | 29% | 0.293 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 175.5 | -170.8 | 66.3 | 0 | 0 | 0 | 110.7 | M89 A90 S95 I96 I97 C128 W170 | M89-L93 WeakPolarHBondContact O-CB 3.41Å; M89-L93 PolarHBondContact O-N 3.34Å; A90-L93 WeakPolarHBondContact O-CB 3.49Å; A90-L93 PolarHBondContact O-N 2.82Å; L93-S95 VanDerWaalsContact C-N 3.31Å; L93-S95 PolarHBondContact O-N 2.84Å; L93-I96 PolarHBondContact O-N 2.97Å; L93-I97 HydrophobicContact CD1-CD1 3.34Å; L93-I97 HydrophobicContact CD1-CG1 4.12Å; L93-I97 HydrophobicContact CG-CD1 4.2Å; L93-I97 WeakPolarHBondContact O-CB 3.41Å; L93-I97 PolarHBondContact O-N 3.38Å; L93-C128 VanDerWaalsContact CD2-SG 3.57Å; L93-W170 HydrophobicContact CD2-CH2 4.33Å; L93-W170 HydrophobicContact CD2-CZ3 4.31Å |
| 94 | L | 96.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.4 | -47.2 | 172 | -173.6 | 78.1 | 0 | 0 | 0 | 111.1 | A90 I96 V98 L99 D125 C128 Y340 S343 | A90-L94 PolarHBondContact O-N 3.46Å; L94-I96 VanDerWaalsContact C-N 3.32Å; L94-I96 PolarHBondContact O-N 2.96Å; L94-V98 HydrophobicContact CD1-CB 3.77Å; L94-V98 HydrophobicContact CD1-CG1 3.93Å; L94-V98 HydrophobicContact CD1-CG2 3.89Å; L94-V98 HydrophobicContact CG-CB 4.31Å; L94-V98 WeakPolarHBondContact O-CA 3.43Å; L94-V98 VanDerWaalsContact O-CB 3.32Å; L94-V98 WeakPolarHBondContact O-CB 3.23Å; L94-V98 PolarHBondContact O-N 2.9Å; L94-L99 HydrophobicContact CG-CD2 4.48Å; L94-L99 PolarHBondContact O-N 3.49Å; L94-D125 WeakPolarHBondContact CD1-OD1 3.48Å; L94-C128 HydrophobicContact CB-CB 3.96Å; L94-C128 HydrophobicContact CD1-CB 3.88Å; L94-Y340 HydrophobicContact CD1-CE1 4.11Å; L94-Y340 HydrophobicContact CD2-CD1 3.99Å; L94-Y340 HydrophobicContact CD2-CE1 4.41Å; L94-S343 WeakPolarHBondContact CD2-OG 3.16Å |
| 95 | S | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.4 | -29 | -174.7 | -56.1 | 0 | 0 | 0 | 0 | 114.2 | A59 D91 L92 L93 P100 | A59-S95 VanDerWaalsContact CB-OG 3.29Å; A59-S95 WeakPolarHBondContact CB-OG 3.48Å; D91-S95 WeakPolarHBondContact O-CB 3.45Å; D91-S95 PolarHBondContact O-N 3.29Å; D91-S95 PolarHBondContact O-OG 3.47Å; L92-S95 PolarHBondContact O-N 3.38Å; L93-S95 VanDerWaalsContact C-N 3.31Å; L93-S95 PolarHBondContact O-N 2.84Å; S95-P100 WeakPolarHBondContact O-CD 3.44Å |
| 96 | I | 95.8 | Very high | 94.2 | Very high | 90 Ų | 90 | 28.4 Ų | 28.4 | 46% | 0.462 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -90.8 | -39.8 | -179.2 | -66.3 | 172 | 0 | 0 | 0 | 111.3 | I60 L92 L93 L94 P100 | I60-I96 HydrophobicContact CD1-CG1 4.12Å; I60-I96 HydrophobicContact CG1-CG1 4.19Å; L92-I96 HydrophobicContact CD1-CD1 3.78Å; L92-I96 HydrophobicContact CD1-CG1 4.21Å; L92-I96 HydrophobicContact CD2-CD1 4.46Å; L92-I96 HydrophobicContact CG-CD1 3.78Å; L92-I96 HydrophobicContact CG-CG1 4.49Å; L92-I96 WeakPolarHBondContact O-CG1 3.46Å; L92-I96 PolarHBondContact O-N 3.43Å; L93-I96 PolarHBondContact O-N 2.97Å; L94-I96 VanDerWaalsContact C-N 3.32Å; L94-I96 PolarHBondContact O-N 2.96Å; I96-P100 WeakPolarHBondContact O-CG 3.28Å |
| 97 | I | 94.3 | Very high | 93.8 | Very high | 64 Ų | 64 | 29.8 Ų | 29.8 | 33% | 0.328 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -101.8 | -29.4 | -169.6 | -56.3 | -173.5 | 0 | 0 | 0 | 112.8 | L93 F101 V124 | L93-I97 HydrophobicContact CD1-CD1 3.34Å; L93-I97 HydrophobicContact CD1-CG1 4.12Å; L93-I97 HydrophobicContact CG-CD1 4.2Å; L93-I97 WeakPolarHBondContact O-CB 3.41Å; L93-I97 PolarHBondContact O-N 3.38Å; I97-F101 WeakPolarHBondContact O-CD2 3.21Å; I97-V124 HydrophobicContact CB-CG1 4.38Å; I97-V124 HydrophobicContact CG2-CG1 3.93Å |
| 98 | V | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -55.8 | -174.1 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | L94 F101 S102 W121 V124 D125 Y340 | L94-V98 HydrophobicContact CD1-CB 3.77Å; L94-V98 HydrophobicContact CD1-CG1 3.93Å; L94-V98 HydrophobicContact CD1-CG2 3.89Å; L94-V98 HydrophobicContact CG-CB 4.31Å; L94-V98 WeakPolarHBondContact O-CA 3.43Å; L94-V98 VanDerWaalsContact O-CB 3.32Å; L94-V98 WeakPolarHBondContact O-CB 3.23Å; L94-V98 PolarHBondContact O-N 2.9Å; V98-F101 PolarHBondContact O-N 3.49Å; V98-S102 PolarHBondContact O-N 3.28Å; V98-S102 PolarHBondContact O-OG 2.68Å; V98-W121 PolarHBondContact O-NE1 3.01Å; V98-V124 HydrophobicContact CG2-CB 4.43Å; V98-V124 HydrophobicContact CG2-CG1 3.83Å; V98-D125 HydrophobicContact CG1-CB 3.84Å; V98-D125 HydrophobicContact CG2-CB 4.19Å; V98-Y340 WeakPolarHBondContact CG1-OH 3.47Å |
| 99 | L | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.7 | -40.1 | -171.2 | -58.1 | -175.4 | 0 | 0 | 0 | 115.2 | F55 I56 A59 L94 F101 S102 A103 W337 Y340 | F55-L99 HydrophobicContact CD1-CD1 4.47Å; F55-L99 HydrophobicContact CE1-CD1 3.83Å; F55-L99 HydrophobicContact CE1-CD2 4.48Å; I56-L99 HydrophobicContact CD1-CB 4.06Å; I56-L99 HydrophobicContact CG1-CB 3.74Å; I56-L99 HydrophobicContact CG1-CD1 4.25Å; A59-L99 HydrophobicContact CB-CD1 4.42Å; L94-L99 HydrophobicContact CG-CD2 4.48Å; L94-L99 PolarHBondContact O-N 3.49Å; L99-F101 VanDerWaalsContact C-N 3.31Å; L99-F101 PolarHBondContact O-N 3.49Å; L99-S102 PolarHBondContact O-N 3.36Å; L99-A103 VanDerWaalsContact O-CB 3.31Å; L99-A103 WeakPolarHBondContact O-CB 3.39Å; L99-A103 PolarHBondContact O-N 3.36Å; L99-W337 HydrophobicContact CD2-CZ3 4.33Å; L99-Y340 HydrophobicContact CD2-CD1 3.96Å; L99-Y340 HydrophobicContact CD2-CD2 3.33Å; L99-Y340 HydrophobicContact CD2-CE1 4.34Å; L99-Y340 HydrophobicContact CD2-CE2 3.74Å; L99-Y340 HydrophobicContact CD2-CG 3.43Å; L99-Y340 VanDerWaalsContact CD2-CG 3.43Å |
| 100 | P | 94.5 | Very high | 91.9 | Very high | 48 Ų | 48 | 32.2 Ų | 32.2 | 31% | 0.312 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.1 | -37.3 | -179.9 | -24.5 | 37 | 0 | 0 | 0 | 112.6 | I56 S95 I96 A103 S104 | I56-P100 HydrophobicContact CG2-CG 4.45Å; S95-P100 WeakPolarHBondContact O-CD 3.44Å; I96-P100 WeakPolarHBondContact O-CG 3.28Å; P100-A103 PolarHBondContact O-N 3.3Å; P100-S104 PolarHBondContact O-N 2.99Å |
| 101 | F | 92.9 | Very high | 91.3 | Very high | 54 Ų | 54 | 32.6 Ų | 32.6 | 24% | 0.237 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -76.3 | -39.2 | 179.1 | -61.8 | -84 | 0 | 0 | 0 | 111.1 | I97 V98 L99 A103 S104 L105 W111 F113 F117 | I97-F101 WeakPolarHBondContact O-CD2 3.21Å; V98-F101 PolarHBondContact O-N 3.49Å; L99-F101 VanDerWaalsContact C-N 3.31Å; L99-F101 PolarHBondContact O-N 3.49Å; F101-A103 VanDerWaalsContact C-N 3.29Å; F101-A103 PolarHBondContact O-N 2.94Å; F101-S104 WeakPolarHBondContact CA-OG 3.32Å; F101-S104 PolarHBondContact O-N 3.36Å; F101-S104 PolarHBondContact O-OG 2.84Å; F101-L105 PolarHBondContact O-N 2.94Å; F101-W111 HydrophobicContact CB-CH2 4.25Å; F101-W111 HydrophobicContact CB-CZ3 4.28Å; F101-F113 HydrophobicContact CD1-CD1 4.38Å; F101-F113 HydrophobicContact CD1-CD2 4.06Å; F101-F113 HydrophobicContact CD1-CE1 4.06Å; F101-F113 AromaticContact CD1-CE2 3.74Å; F101-F113 HydrophobicContact CD1-CE2 3.74Å; F101-F113 HydrophobicContact CD1-CG 4.39Å; F101-F113 AromaticContact CD1-CZ 3.73Å; F101-F113 HydrophobicContact CD1-CZ 3.73Å; F101-F113 HydrophobicContact CE1-CD1 4.24Å; F101-F113 AromaticContact CE1-CE1 3.93Å; F101-F113 HydrophobicContact CE1-CE1 3.93Å; F101-F113 HydrophobicContact CE1-CE2 4.43Å; F101-F113 HydrophobicContact CE1-CZ 4.04Å; F101-F117 HydrophobicContact CB-CE1 4.48Å; F101-F117 HydrophobicContact CD1-CD1 4.44Å; F101-F117 AromaticContact CD1-CE1 3.38Å; F101-F117 HydrophobicContact CD1-CE1 3.38Å; F101-F117 AromaticContact CD1-CZ 3.92Å; F101-F117 HydrophobicContact CD1-CZ 3.92Å; F101-F117 HydrophobicContact CD2-CE1 4.22Å; F101-F117 HydrophobicContact CD2-CZ 4.16Å; F101-F117 AromaticContact CE1-CE1 3.45Å; F101-F117 HydrophobicContact CE1-CE1 3.45Å; F101-F117 VanDerWaalsContact CE1-CE1 3.45Å; F101-F117 AromaticContact CE1-CZ 3.58Å; F101-F117 HydrophobicContact CE1-CZ 3.58Å; F101-F117 HydrophobicContact CE2-CE1 4.27Å; F101-F117 AromaticContact CE2-CZ 3.84Å; F101-F117 HydrophobicContact CE2-CZ 3.84Å; F101-F117 AromaticContact CG-CE1 3.77Å; F101-F117 HydrophobicContact CG-CE1 3.77Å; F101-F117 HydrophobicContact CG-CZ 4.17Å; F101-F117 AromaticContact CZ-CE1 3.9Å; F101-F117 HydrophobicContact CZ-CE1 3.9Å; F101-F117 AromaticContact CZ-CZ 3.52Å; F101-F117 HydrophobicContact CZ-CZ 3.52Å |
| 102 | S | 92.4 | Very high | 90.8 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.3 | -40.8 | 170.5 | -48.5 | 0 | 0 | 0 | 0 | 111.7 | V98 L99 L105 E106 W121 | V98-S102 PolarHBondContact O-N 3.28Å; V98-S102 PolarHBondContact O-OG 2.68Å; L99-S102 PolarHBondContact O-N 3.36Å; S102-L105 PolarHBondContact O-N 2.9Å; S102-E106 PolarHBondContact O-N 2.94Å; S102-E106 VanDerWaalsContact O-N 3.1Å; S102-W121 VanDerWaalsContact OG-CZ2 3.28Å; S102-W121 WeakPolarHBondContact OG-CZ2 3.16Å; S102-W121 PolarHBondContact OG-NE1 3.44Å |
| 103 | A | 92.1 | Very high | 90.2 | Very high | 12 Ų | 12 | 39 Ų | 39 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.8 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L52 I56 L99 P100 F101 L105 E106 V107 W337 | L52-A103 HydrophobicContact CB-CB 4.03Å; L52-A103 HydrophobicContact CD1-CB 3.87Å; I56-A103 HydrophobicContact CD1-CB 3.94Å; L99-A103 VanDerWaalsContact O-CB 3.31Å; L99-A103 WeakPolarHBondContact O-CB 3.39Å; L99-A103 PolarHBondContact O-N 3.36Å; P100-A103 PolarHBondContact O-N 3.3Å; F101-A103 VanDerWaalsContact C-N 3.29Å; F101-A103 PolarHBondContact O-N 2.94Å; A103-L105 VanDerWaalsContact C-N 3.31Å; A103-L105 PolarHBondContact O-N 3.37Å; A103-E106 PolarHBondContact O-N 2.85Å; A103-V107 WeakPolarHBondContact O-CG2 3.26Å; A103-V107 PolarHBondContact O-N 3.05Å; A103-W337 HydrophobicContact CB-CH2 4.09Å; A103-W337 HydrophobicContact CB-CZ2 4.46Å |
| 104 | S | 89.7 | Confident | 89.7 | Confident | 28 Ų | 28 | 37.5 Ų | 37.5 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -37.9 | 175.8 | 71.9 | 0 | 0 | 0 | 0 | 112.3 | P100 F101 E106 V107 L108 F113 | P100-S104 PolarHBondContact O-N 2.99Å; F101-S104 WeakPolarHBondContact CA-OG 3.32Å; F101-S104 PolarHBondContact O-N 3.36Å; F101-S104 PolarHBondContact O-OG 2.84Å; S104-E106 VanDerWaalsContact C-N 3.35Å; S104-V107 PolarHBondContact O-N 3.21Å; S104-L108 VanDerWaalsContact O-CB 3.24Å; S104-L108 WeakPolarHBondContact O-CB 3.35Å; S104-L108 VanDerWaalsContact O-CG 3.31Å; S104-L108 WeakPolarHBondContact O-CG 3.37Å; S104-L108 PolarHBondContact O-N 3.36Å; S104-F113 WeakPolarHBondContact OG-CE2 3.47Å |
| 105 | L | 87.3 | Confident | 89.1 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 20% | 0.199 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -40.2 | 174.7 | 179.6 | 62.5 | 0 | 0 | 0 | 111.3 | F101 S102 A103 G109 C110 W111 C195 | F101-L105 PolarHBondContact O-N 2.94Å; S102-L105 PolarHBondContact O-N 2.9Å; A103-L105 VanDerWaalsContact C-N 3.31Å; A103-L105 PolarHBondContact O-N 3.37Å; L105-G109 VanDerWaalsContact O-CA 3.3Å; L105-G109 WeakPolarHBondContact O-CA 3.4Å; L105-G109 PolarHBondContact O-N 3.28Å; L105-C110 VanDerWaalsContact CD1-C 3.43Å; L105-W111 HydrophobicContact CB-CE3 4.41Å; L105-W111 HydrophobicContact CD1-CB 4.17Å; L105-W111 HydrophobicContact CD1-CE3 4.35Å; L105-W111 HydrophobicContact CD2-CE3 4.41Å; L105-C195 WeakPolarHBondContact CD2-O 3.49Å |
| 106 | E | 87.4 | Confident | 88.6 | Confident | 57 Ų | 57 | 47.8 Ų | 47.8 | 27% | 0.266 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 177.4 | -168.1 | 64.5 | -130.2 | 0 | 0 | 112.3 | T48 L52 S102 A103 S104 K333 | T48-E106 HydrophobicContact CG2-CG 4.34Å; L52-E106 HydrophobicContact CD1-CB 4.12Å; L52-E106 HydrophobicContact CD1-CG 4.24Å; S102-E106 PolarHBondContact O-N 2.94Å; S102-E106 VanDerWaalsContact O-N 3.1Å; A103-E106 PolarHBondContact O-N 2.85Å; S104-E106 VanDerWaalsContact C-N 3.35Å; E106-K333 WeakPolarHBondContact OE1-CD 3.46Å; E106-K333 WeakPolarHBondContact OE1-CE 3.37Å; E106-K333 IonicContact OE1-NZ 3.12Å; E106-K333 PolarHBondContact OE1-NZ 3.42Å; E106-K333 IonicContact OE2-NZ 2.82Å |
| 107 | V | 86.9 | Confident | 88.3 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -77.4 | -39.3 | -178.3 | 171.5 | 0 | 0 | 0 | 0 | 112.2 | F39 V45 A103 S104 | F39-V107 HydrophobicContact CE2-CG1 4.02Å; V45-V107 HydrophobicContact CG1-CG1 3.86Å; A103-V107 WeakPolarHBondContact O-CG2 3.26Å; A103-V107 PolarHBondContact O-N 3.05Å; S104-V107 PolarHBondContact O-N 3.21Å |
| 108 | L | 84 | Confident | 88.1 | Confident | 74 Ų | 74 | 44 Ų | 44 | 39% | 0.387 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -86.6 | -20.9 | -178.4 | -64.3 | 172.5 | 0 | 0 | 0 | 112.8 | F39 S104 C110 V112 | F39-L108 HydrophobicContact CD2-CD2 4.33Å; S104-L108 VanDerWaalsContact O-CB 3.24Å; S104-L108 WeakPolarHBondContact O-CB 3.35Å; S104-L108 VanDerWaalsContact O-CG 3.31Å; S104-L108 WeakPolarHBondContact O-CG 3.37Å; S104-L108 PolarHBondContact O-N 3.36Å; L108-C110 PolarHBondContact O-N 2.96Å; L108-V112 HydrophobicContact CD1-CG1 4.48Å; L108-V112 HydrophobicContact CD1-CG2 4.37Å |
| 109 | G | 79.6 | Confident | 87.8 | Confident | 69 Ų | 69 | 46.4 Ų | 46.4 | 71% | 0.711 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 69 | 7.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L105 | L105-G109 VanDerWaalsContact O-CA 3.3Å; L105-G109 WeakPolarHBondContact O-CA 3.4Å; L105-G109 PolarHBondContact O-N 3.28Å |
| 110 | C | 82.9 | Confident | 87.6 | Confident | 8 Ų | 8 | 50.3 Ų | 50.3 | 5% | 0.054 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -152.7 | 156.1 | -177.3 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | C36 L105 L108 | C36-C110 HydrophobicContact CB-CB 4.11Å; C36-C110 WeakPolarHBondContact CB-SG 3.26Å; C36-C110 WeakPolarHBondContact SG-CB 3.35Å; C36-C110 CovalentContact SG-SG 2Å; C36-C110 PolarHBondContact SG-SG 3.44Å; L105-C110 VanDerWaalsContact CD1-C 3.43Å; L108-C110 PolarHBondContact O-N 2.96Å |
| 111 | W | 85.4 | Confident | 87.6 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | trans | -94.9 | 120 | 177 | -173.2 | -99.6 | 0 | 0 | 0 | 111.9 | F101 L105 F113 G114 F117 C118 W121 T193 C195 | F101-W111 HydrophobicContact CB-CH2 4.25Å; F101-W111 HydrophobicContact CB-CZ3 4.28Å; L105-W111 HydrophobicContact CB-CE3 4.41Å; L105-W111 HydrophobicContact CD1-CB 4.17Å; L105-W111 HydrophobicContact CD1-CE3 4.35Å; L105-W111 HydrophobicContact CD2-CE3 4.41Å; W111-F113 HydrophobicContact CD2-CD2 4.12Å; W111-F113 HydrophobicContact CE3-CD2 4.17Å; W111-F113 HydrophobicContact CH2-CD2 4.15Å; W111-F113 HydrophobicContact CZ2-CB 3.98Å; W111-F113 HydrophobicContact CZ2-CD2 4.1Å; W111-F113 HydrophobicContact CZ2-CG 4.47Å; W111-F113 HydrophobicContact CZ3-CD2 4.18Å; W111-G114 PolarHBondContact NE1-O 2.86Å; W111-F117 AromaticContact CH2-CD1 3.88Å; W111-F117 HydrophobicContact CH2-CD1 3.88Å; W111-F117 HydrophobicContact CH2-CE1 4.09Å; W111-F117 HydrophobicContact CZ2-CB 4.39Å; W111-F117 AromaticContact CZ2-CD1 3.42Å; W111-F117 HydrophobicContact CZ2-CD1 3.42Å; W111-F117 VanDerWaalsContact CZ2-CD1 3.42Å; W111-F117 HydrophobicContact CZ2-CE1 4.1Å; W111-F117 HydrophobicContact CZ2-CG 4.33Å; W111-C118 VanDerWaalsContact CZ2-CA 3.47Å; W111-C118 HydrophobicContact CZ2-CB 3.95Å; W111-W121 HydrophobicContact CH2-CB 3.94Å; W111-W121 HydrophobicContact CH2-CD2 4.04Å; W111-W121 HydrophobicContact CH2-CE3 4.41Å; W111-W121 AromaticContact CH2-CG 3.81Å; W111-W121 HydrophobicContact CH2-CG 3.81Å; W111-W121 HydrophobicContact CZ2-CB 4.37Å; W111-W121 HydrophobicContact CZ3-CD2 4.37Å; W111-T193 PolarHBondContact N-O 3.5Å; W111-C195 HydrophobicContact CB-CB 3.67Å; W111-C195 HydrophobicContact CD2-CB 3.42Å; W111-C195 VanDerWaalsContact CD2-CB 3.42Å; W111-C195 HydrophobicContact CE3-CB 3.68Å; W111-C195 HydrophobicContact CG-CB 3.44Å; W111-C195 VanDerWaalsContact CG-CB 3.44Å; W111-C195 HydrophobicContact CZ3-CB 4.41Å | ||
| 112 | V | 84.6 | Confident | 87.5 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | trans | -106.2 | -7.4 | -175.6 | -62.3 | 0 | 0 | 0 | 0 | 114.4 | C36 L108 G114 | C36-V112 VanDerWaalsContact SG-CG1 3.58Å; L108-V112 HydrophobicContact CD1-CG1 4.48Å; L108-V112 HydrophobicContact CD1-CG2 4.37Å; V112-G114 VanDerWaalsContact C-N 3.32Å; V112-G114 PolarHBondContact O-N 2.85Å | ||
| 113 | F | 85.7 | Confident | 87.6 | Confident | 85 Ų | 85 | 46.5 Ų | 46.5 | 37% | 0.373 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -91 | 5.4 | -171.1 | -55 | -78.4 | 0 | 0 | 0 | 113.7 | F101 S104 W111 F117 | F101-F113 HydrophobicContact CD1-CD1 4.38Å; F101-F113 HydrophobicContact CD1-CD2 4.06Å; F101-F113 HydrophobicContact CD1-CE1 4.06Å; F101-F113 AromaticContact CD1-CE2 3.74Å; F101-F113 HydrophobicContact CD1-CE2 3.74Å; F101-F113 HydrophobicContact CD1-CG 4.39Å; F101-F113 AromaticContact CD1-CZ 3.73Å; F101-F113 HydrophobicContact CD1-CZ 3.73Å; F101-F113 HydrophobicContact CE1-CD1 4.24Å; F101-F113 AromaticContact CE1-CE1 3.93Å; F101-F113 HydrophobicContact CE1-CE1 3.93Å; F101-F113 HydrophobicContact CE1-CE2 4.43Å; F101-F113 HydrophobicContact CE1-CZ 4.04Å; S104-F113 WeakPolarHBondContact OG-CE2 3.47Å; W111-F113 HydrophobicContact CD2-CD2 4.12Å; W111-F113 HydrophobicContact CE3-CD2 4.17Å; W111-F113 HydrophobicContact CH2-CD2 4.15Å; W111-F113 HydrophobicContact CZ2-CB 3.98Å; W111-F113 HydrophobicContact CZ2-CD2 4.1Å; W111-F113 HydrophobicContact CZ2-CG 4.47Å; W111-F113 HydrophobicContact CZ3-CD2 4.18Å; F113-F117 HydrophobicContact CB-CB 3.97Å; F113-F117 HydrophobicContact CB-CD1 3.39Å; F113-F117 HydrophobicContact CB-CE1 4.26Å; F113-F117 HydrophobicContact CB-CG 3.97Å; F113-F117 HydrophobicContact CD2-CD1 4.39Å; F113-F117 AromaticContact CG-CD1 3.89Å; F113-F117 HydrophobicContact CG-CD1 3.89Å; F113-F117 HydrophobicContact CG-CE1 4.28Å; F113-F117 VanDerWaalsContact O-CB 3.3Å; F113-F117 WeakPolarHBondContact O-CB 3.36Å |
| 114 | G | 85.1 | Confident | 87.7 | Confident | 25 Ų | 25 | 47.3 Ų | 47.3 | 26% | 0.258 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | 75.9 | 168.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W111 V112 V116 F117 C118 | W111-G114 PolarHBondContact NE1-O 2.86Å; V112-G114 VanDerWaalsContact C-N 3.32Å; V112-G114 PolarHBondContact O-N 2.85Å; G114-V116 PolarHBondContact O-N 3.42Å; G114-F117 PolarHBondContact O-N 2.84Å; G114-C118 PolarHBondContact O-N 3.14Å |
| 115 | R | 83.4 | Confident | 87.9 | Confident | 106 Ų | 106 | 46.1 Ų | 46.1 | 40% | 0.4 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.6 | -37.6 | -171.3 | -56.2 | -174.7 | -146 | -124.9 | 16.5 | 114 | F117 C118 N119 P189 E192 | R115-F117 VanDerWaalsContact C-N 3.33Å; R115-F117 PolarHBondContact O-N 3.46Å; R115-C118 WeakPolarHBondContact O-CB 3.45Å; R115-C118 PolarHBondContact O-N 3.39Å; R115-N119 PolarHBondContact O-N 3.36Å; R115-N119 PolarHBondContact O-ND2 2.89Å; R115-N119 VanDerWaalsContact O-ND2 3.09Å; R115-P189 PolarHBondContact NH1-O 2.94Å; R115-E192 IonicContact CZ-OE1 2.62Å; R115-E192 VanDerWaalsContact NE-CD 3.32Å; R115-E192 IonicContact NE-OE1 3.02Å; R115-E192 PolarHBondContact NE-OE1 3.17Å; R115-E192 VanDerWaalsContact NH2-CG 3.32Å; R115-E192 IonicContact NH2-OE1 3.85Å; R115-E192 PolarHBondContact NH2-OE1 3Å |
| 116 | V | 86.8 | Confident | 88.2 | Confident | 111 Ų | 111 | 45.2 Ų | 45.2 | 67% | 0.673 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.6 | -46.3 | -179.6 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | G114 C118 N119 I120 | G114-V116 PolarHBondContact O-N 3.42Å; V116-C118 VanDerWaalsContact C-N 3.33Å; V116-C118 PolarHBondContact O-N 3.29Å; V116-N119 PolarHBondContact O-N 3.42Å; V116-I120 HydrophobicContact CG1-CD1 4.04Å; V116-I120 WeakPolarHBondContact O-CG1 3.18Å; V116-I120 PolarHBondContact O-N 3.1Å; V116-I120 VanDerWaalsContact O-N 3.13Å |
| 117 | F | 89.4 | Confident | 88.6 | Confident | 61 Ų | 61 | 44 Ų | 44 | 27% | 0.268 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.6 | -36.3 | 178.2 | -165.2 | -107.5 | 0 | 0 | 0 | 111.8 | F101 W111 F113 G114 R115 N119 I120 W121 | F101-F117 HydrophobicContact CB-CE1 4.48Å; F101-F117 HydrophobicContact CD1-CD1 4.44Å; F101-F117 AromaticContact CD1-CE1 3.38Å; F101-F117 HydrophobicContact CD1-CE1 3.38Å; F101-F117 AromaticContact CD1-CZ 3.92Å; F101-F117 HydrophobicContact CD1-CZ 3.92Å; F101-F117 HydrophobicContact CD2-CE1 4.22Å; F101-F117 HydrophobicContact CD2-CZ 4.16Å; F101-F117 AromaticContact CE1-CE1 3.45Å; F101-F117 HydrophobicContact CE1-CE1 3.45Å; F101-F117 VanDerWaalsContact CE1-CE1 3.45Å; F101-F117 AromaticContact CE1-CZ 3.58Å; F101-F117 HydrophobicContact CE1-CZ 3.58Å; F101-F117 HydrophobicContact CE2-CE1 4.27Å; F101-F117 AromaticContact CE2-CZ 3.84Å; F101-F117 HydrophobicContact CE2-CZ 3.84Å; F101-F117 AromaticContact CG-CE1 3.77Å; F101-F117 HydrophobicContact CG-CE1 3.77Å; F101-F117 HydrophobicContact CG-CZ 4.17Å; F101-F117 AromaticContact CZ-CE1 3.9Å; F101-F117 HydrophobicContact CZ-CE1 3.9Å; F101-F117 AromaticContact CZ-CZ 3.52Å; F101-F117 HydrophobicContact CZ-CZ 3.52Å; W111-F117 AromaticContact CH2-CD1 3.88Å; W111-F117 HydrophobicContact CH2-CD1 3.88Å; W111-F117 HydrophobicContact CH2-CE1 4.09Å; W111-F117 HydrophobicContact CZ2-CB 4.39Å; W111-F117 AromaticContact CZ2-CD1 3.42Å; W111-F117 HydrophobicContact CZ2-CD1 3.42Å; W111-F117 VanDerWaalsContact CZ2-CD1 3.42Å; W111-F117 HydrophobicContact CZ2-CE1 4.1Å; W111-F117 HydrophobicContact CZ2-CG 4.33Å; F113-F117 HydrophobicContact CB-CB 3.97Å; F113-F117 HydrophobicContact CB-CD1 3.39Å; F113-F117 HydrophobicContact CB-CE1 4.26Å; F113-F117 HydrophobicContact CB-CG 3.97Å; F113-F117 HydrophobicContact CD2-CD1 4.39Å; F113-F117 AromaticContact CG-CD1 3.89Å; F113-F117 HydrophobicContact CG-CD1 3.89Å; F113-F117 HydrophobicContact CG-CE1 4.28Å; F113-F117 VanDerWaalsContact O-CB 3.3Å; F113-F117 WeakPolarHBondContact O-CB 3.36Å; G114-F117 PolarHBondContact O-N 2.84Å; R115-F117 VanDerWaalsContact C-N 3.33Å; R115-F117 PolarHBondContact O-N 3.46Å; F117-N119 PolarHBondContact O-N 2.96Å; F117-I120 PolarHBondContact O-N 3.17Å; F117-W121 VanDerWaalsContact O-CB 3.27Å; F117-W121 WeakPolarHBondContact O-CB 3.5Å; F117-W121 PolarHBondContact O-N 2.92Å |
| 118 | C | 89.4 | Confident | 89.1 | Confident | 15 Ų | 15 | 42.1 Ų | 42.1 | 10% | 0.101 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 174 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | W111 G114 R115 V116 I120 W121 A122 C195 | W111-C118 VanDerWaalsContact CZ2-CA 3.47Å; W111-C118 HydrophobicContact CZ2-CB 3.95Å; G114-C118 PolarHBondContact O-N 3.14Å; R115-C118 WeakPolarHBondContact O-CB 3.45Å; R115-C118 PolarHBondContact O-N 3.39Å; V116-C118 VanDerWaalsContact C-N 3.33Å; V116-C118 PolarHBondContact O-N 3.29Å; C118-I120 VanDerWaalsContact C-N 3.34Å; C118-I120 PolarHBondContact O-N 3.23Å; C118-W121 PolarHBondContact O-N 3.15Å; C118-A122 WeakPolarHBondContact O-CB 3.38Å; C118-A122 PolarHBondContact O-N 2.76Å; C118-C195 WeakPolarHBondContact CA-SG 3.45Å; C118-C195 HydrophobicContact CB-CB 3.9Å; C118-C195 WeakPolarHBondContact CB-SG 3.29Å; C118-C195 WeakPolarHBondContact SG-CA 3.09Å; C118-C195 WeakPolarHBondContact SG-CB 3.03Å; C118-C195 CovalentContact SG-SG 2.03Å; C118-C195 PolarHBondContact SG-SG 3.47Å |
| 119 | N | 88.9 | Confident | 89.5 | Confident | 50 Ų | 50 | 39 Ų | 39 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 178.5 | -64.7 | -44.5 | 0 | 0 | 0 | 111.6 | R115 V116 F117 A123 L181 K185 | R115-N119 PolarHBondContact O-N 3.36Å; R115-N119 PolarHBondContact O-ND2 2.89Å; R115-N119 VanDerWaalsContact O-ND2 3.09Å; V116-N119 PolarHBondContact O-N 3.42Å; F117-N119 PolarHBondContact O-N 2.96Å; N119-A123 WeakPolarHBondContact O-CB 3.49Å; N119-A123 PolarHBondContact O-N 3.43Å; N119-L181 HydrophobicContact CB-CD2 3.87Å; N119-K185 PolarHBondContact OD1-NZ 2.92Å |
| 120 | I | 91.5 | Very high | 90.3 | Very high | 82 Ų | 82 | 35.8 Ų | 35.8 | 42% | 0.421 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.9 | -47.2 | 177.5 | -65.3 | 168.2 | 0 | 0 | 0 | 110.4 | V116 F117 C118 A122 A123 V124 | V116-I120 HydrophobicContact CG1-CD1 4.04Å; V116-I120 WeakPolarHBondContact O-CG1 3.18Å; V116-I120 PolarHBondContact O-N 3.1Å; V116-I120 VanDerWaalsContact O-N 3.13Å; F117-I120 PolarHBondContact O-N 3.17Å; C118-I120 VanDerWaalsContact C-N 3.34Å; C118-I120 PolarHBondContact O-N 3.23Å; I120-A122 PolarHBondContact O-N 3.43Å; I120-A123 PolarHBondContact O-N 3.12Å; I120-V124 HydrophobicContact CG2-CG2 4.19Å; I120-V124 WeakPolarHBondContact O-CB 3.31Å; I120-V124 VanDerWaalsContact O-CG2 3.29Å; I120-V124 WeakPolarHBondContact O-CG2 3.43Å; I120-V124 PolarHBondContact O-N 3.5Å |
| 121 | W | 93.7 | Very high | 91 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.4 | -48.8 | 178.4 | 166.7 | 85.5 | 0 | 0 | 0 | 111.3 | V98 S102 W111 F117 C118 A123 V124 D125 C195 | V98-W121 PolarHBondContact O-NE1 3.01Å; S102-W121 VanDerWaalsContact OG-CZ2 3.28Å; S102-W121 WeakPolarHBondContact OG-CZ2 3.16Å; S102-W121 PolarHBondContact OG-NE1 3.44Å; W111-W121 HydrophobicContact CH2-CB 3.94Å; W111-W121 HydrophobicContact CH2-CD2 4.04Å; W111-W121 HydrophobicContact CH2-CE3 4.41Å; W111-W121 AromaticContact CH2-CG 3.81Å; W111-W121 HydrophobicContact CH2-CG 3.81Å; W111-W121 HydrophobicContact CZ2-CB 4.37Å; W111-W121 HydrophobicContact CZ3-CD2 4.37Å; F117-W121 VanDerWaalsContact O-CB 3.27Å; F117-W121 WeakPolarHBondContact O-CB 3.5Å; F117-W121 PolarHBondContact O-N 2.92Å; C118-W121 PolarHBondContact O-N 3.15Å; W121-A123 VanDerWaalsContact C-N 3.34Å; W121-A123 PolarHBondContact O-N 2.83Å; W121-V124 PolarHBondContact O-N 3.48Å; W121-D125 WeakPolarHBondContact O-CB 3.48Å; W121-D125 PolarHBondContact O-N 3.24Å; W121-C195 VanDerWaalsContact CE3-SG 3.54Å |
| 122 | A | 91.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | C118 I120 D125 V126 | C118-A122 WeakPolarHBondContact O-CB 3.38Å; C118-A122 PolarHBondContact O-N 2.76Å; I120-A122 PolarHBondContact O-N 3.43Å; A122-D125 PolarHBondContact O-N 3.37Å; A122-V126 WeakPolarHBondContact O-CG2 3.46Å; A122-V126 PolarHBondContact O-N 3.08Å; A122-V126 VanDerWaalsContact O-N 3.11Å |
| 123 | A | 93.5 | Very high | 92 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 7% | 0.066 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N119 I120 W121 D125 L127 S177 L181 | N119-A123 WeakPolarHBondContact O-CB 3.49Å; N119-A123 PolarHBondContact O-N 3.43Å; I120-A123 PolarHBondContact O-N 3.12Å; W121-A123 VanDerWaalsContact C-N 3.34Å; W121-A123 PolarHBondContact O-N 2.83Å; A123-D125 VanDerWaalsContact C-N 3.34Å; A123-L127 VanDerWaalsContact O-CB 3.25Å; A123-L127 WeakPolarHBondContact O-CB 3.35Å; A123-L127 PolarHBondContact O-N 3.3Å; A123-S177 WeakPolarHBondContact O-CB 3.35Å; A123-L181 HydrophobicContact CB-CD1 3.79Å; A123-L181 HydrophobicContact CB-CD2 4.14Å; A123-L181 HydrophobicContact CB-CG 3.92Å |
| 124 | V | 95 | Very high | 92.4 | Very high | 28 Ų | 28 | 28.6 Ų | 28.6 | 17% | 0.17 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.7 | -36.5 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | I97 V98 I120 W121 L127 C128 | I97-V124 HydrophobicContact CB-CG1 4.38Å; I97-V124 HydrophobicContact CG2-CG1 3.93Å; V98-V124 HydrophobicContact CG2-CB 4.43Å; V98-V124 HydrophobicContact CG2-CG1 3.83Å; I120-V124 HydrophobicContact CG2-CG2 4.19Å; I120-V124 WeakPolarHBondContact O-CB 3.31Å; I120-V124 VanDerWaalsContact O-CG2 3.29Å; I120-V124 WeakPolarHBondContact O-CG2 3.43Å; I120-V124 PolarHBondContact O-N 3.5Å; W121-V124 PolarHBondContact O-N 3.48Å; V124-L127 WeakPolarHBondContact O-CB 3.27Å; V124-L127 PolarHBondContact O-N 3.38Å; V124-C128 WeakPolarHBondContact O-CB 3.32Å; V124-C128 PolarHBondContact O-N 3.32Å; V124-C128 PolarHBondContact O-SG 3.4Å |
| 125 | D | 94.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61 | -52.5 | 174.9 | -171.8 | 25.8 | 0 | 0 | 0 | 111.5 | L94 V98 W121 A122 A123 L127 C128 C129 I197 Y340 | L94-D125 WeakPolarHBondContact CD1-OD1 3.48Å; V98-D125 HydrophobicContact CG1-CB 3.84Å; V98-D125 HydrophobicContact CG2-CB 4.19Å; W121-D125 WeakPolarHBondContact O-CB 3.48Å; W121-D125 PolarHBondContact O-N 3.24Å; A122-D125 PolarHBondContact O-N 3.37Å; A123-D125 VanDerWaalsContact C-N 3.34Å; D125-L127 VanDerWaalsContact C-N 3.29Å; D125-L127 PolarHBondContact O-N 2.97Å; D125-C128 PolarHBondContact O-N 3.46Å; D125-C129 WeakPolarHBondContact O-CB 3.21Å; D125-C129 PolarHBondContact O-N 3.42Å; D125-C129 PolarHBondContact O-SG 2.94Å; D125-C129 PolarHBondContact OD1-SG 3.41Å; D125-C129 VanDerWaalsContact OD1-SG 3.33Å; D125-I197 WeakPolarHBondContact OD2-CD1 3.26Å; D125-Y340 WeakPolarHBondContact OD1-CE1 3.37Å; D125-Y340 PolarHBondContact OD1-OH 2.82Å; D125-Y340 PolarHBondContact OD2-OH 3.3Å |
| 126 | V | 93.8 | Very high | 93.3 | Very high | 19 Ų | 19 | 22.7 Ų | 22.7 | 12% | 0.115 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.1 | -41.1 | 175.9 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | A122 T130 I197 | A122-V126 WeakPolarHBondContact O-CG2 3.46Å; A122-V126 PolarHBondContact O-N 3.08Å; A122-V126 VanDerWaalsContact O-N 3.11Å; V126-T130 WeakPolarHBondContact O-CB 3.4Å; V126-T130 PolarHBondContact O-N 3.39Å; V126-T130 PolarHBondContact O-OG1 3.1Å; V126-I197 HydrophobicContact CG2-CG2 4.41Å |
| 127 | L | 95.9 | Very high | 93.7 | Very high | 30 Ų | 30 | 17.9 Ų | 17.9 | 16% | 0.157 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.2 | -53.9 | 177.9 | 175.1 | 68.5 | 0 | 0 | 0 | 111.7 | A123 V124 D125 T130 A131 T174 | A123-L127 VanDerWaalsContact O-CB 3.25Å; A123-L127 WeakPolarHBondContact O-CB 3.35Å; A123-L127 PolarHBondContact O-N 3.3Å; V124-L127 WeakPolarHBondContact O-CB 3.27Å; V124-L127 PolarHBondContact O-N 3.38Å; D125-L127 VanDerWaalsContact C-N 3.29Å; D125-L127 PolarHBondContact O-N 2.97Å; L127-T130 PolarHBondContact O-N 3.12Å; L127-A131 VanDerWaalsContact O-CB 3.32Å; L127-A131 WeakPolarHBondContact O-CB 3.45Å; L127-A131 PolarHBondContact O-N 3.27Å; L127-T174 WeakPolarHBondContact CD1-OG1 3.38Å |
| 128 | C | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.3 | -44.4 | -175.7 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | L93 L94 V124 D125 A131 S132 | L93-C128 VanDerWaalsContact CD2-SG 3.57Å; L94-C128 HydrophobicContact CB-CB 3.96Å; L94-C128 HydrophobicContact CD1-CB 3.88Å; V124-C128 WeakPolarHBondContact O-CB 3.32Å; V124-C128 PolarHBondContact O-N 3.32Å; V124-C128 PolarHBondContact O-SG 3.4Å; D125-C128 PolarHBondContact O-N 3.46Å; C128-A131 PolarHBondContact O-N 2.97Å; C128-S132 PolarHBondContact O-N 3.44Å; C128-S132 PolarHBondContact O-OG 3.19Å |
| 129 | C | 94.1 | Very high | 94.2 | Very high | 9 Ų | 9 | 16.1 Ų | 16.1 | 6% | 0.061 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 177.9 | -64.5 | 0 | 0 | 0 | 0 | 111 | D125 A131 S132 I133 W309 | D125-C129 WeakPolarHBondContact O-CB 3.21Å; D125-C129 PolarHBondContact O-N 3.42Å; D125-C129 PolarHBondContact O-SG 2.94Å; D125-C129 PolarHBondContact OD1-SG 3.41Å; D125-C129 VanDerWaalsContact OD1-SG 3.33Å; C129-A131 PolarHBondContact O-N 3.05Å; C129-S132 PolarHBondContact O-N 3.37Å; C129-I133 WeakPolarHBondContact O-CG1 3.28Å; C129-I133 PolarHBondContact O-N 3.48Å; C129-W309 HydrophobicContact CB-CH2 3.86Å; C129-W309 HydrophobicContact CB-CZ2 4.32Å; C129-W309 HydrophobicContact CB-CZ3 4.42Å; C129-W309 WeakPolarHBondContact SG-CH2 3.38Å |
| 130 | T | 95.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.012 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 177.2 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | V126 L127 S132 I133 L134 I176 S211 | V126-T130 WeakPolarHBondContact O-CB 3.4Å; V126-T130 PolarHBondContact O-N 3.39Å; V126-T130 PolarHBondContact O-OG1 3.1Å; L127-T130 PolarHBondContact O-N 3.12Å; T130-S132 VanDerWaalsContact C-N 3.34Å; T130-S132 PolarHBondContact O-N 3.31Å; T130-I133 PolarHBondContact O-N 3.22Å; T130-L134 HydrophobicContact CG2-CD1 3.89Å; T130-L134 HydrophobicContact CG2-CG 4.26Å; T130-L134 WeakPolarHBondContact O-CB 3.2Å; T130-L134 WeakPolarHBondContact O-CG 3.36Å; T130-L134 PolarHBondContact O-N 2.96Å; T130-I176 HydrophobicContact CG2-CD1 3.81Å; T130-S211 WeakPolarHBondContact CG2-OG 3.17Å; T130-S211 WeakPolarHBondContact OG1-CB 3.46Å; T130-S211 PolarHBondContact OG1-OG 3.14Å |
| 131 | A | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A90 L127 C128 C129 S135 W170 S173 | A90-A131 HydrophobicContact CB-CB 4.23Å; L127-A131 VanDerWaalsContact O-CB 3.32Å; L127-A131 WeakPolarHBondContact O-CB 3.45Å; L127-A131 PolarHBondContact O-N 3.27Å; C128-A131 PolarHBondContact O-N 2.97Å; C129-A131 PolarHBondContact O-N 3.05Å; A131-S135 VanDerWaalsContact O-CB 3.24Å; A131-S135 WeakPolarHBondContact O-CB 3.44Å; A131-S135 PolarHBondContact O-N 2.64Å; A131-S135 PolarHBondContact O-OG 2.73Å; A131-W170 HydrophobicContact CB-CE3 4.2Å; A131-W170 HydrophobicContact CB-CH2 4.24Å; A131-W170 HydrophobicContact CB-CZ3 4.04Å; A131-S173 VanDerWaalsContact CA-OG 3.24Å; A131-S173 WeakPolarHBondContact CA-OG 3.49Å; A131-S173 PolarHBondContact N-OG 3.3Å |
| 132 | S | 95.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 12.1 Ų | 12.1 | 3% | 0.028 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 175.9 | -71.6 | 0 | 0 | 0 | 0 | 112.1 | A90 D91 C128 C129 T130 S135 L136 | A90-S132 VanDerWaalsContact CB-OG 3.28Å; A90-S132 WeakPolarHBondContact CB-OG 3.25Å; D91-S132 PolarHBondContact OD1-OG 2.93Å; C128-S132 PolarHBondContact O-N 3.44Å; C128-S132 PolarHBondContact O-OG 3.19Å; C129-S132 PolarHBondContact O-N 3.37Å; T130-S132 VanDerWaalsContact C-N 3.34Å; T130-S132 PolarHBondContact O-N 3.31Å; S132-S135 WeakPolarHBondContact O-CB 3.41Å; S132-S135 PolarHBondContact O-N 2.89Å; S132-L136 WeakPolarHBondContact O-CG 3.44Å; S132-L136 PolarHBondContact O-N 3.15Å |
| 133 | I | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 179.7 | -57.4 | 164.1 | 0 | 0 | 0 | 111.3 | C129 T130 S135 L136 C137 S211 F212 P215 F305 F313 | C129-I133 WeakPolarHBondContact O-CG1 3.28Å; C129-I133 PolarHBondContact O-N 3.48Å; T130-I133 PolarHBondContact O-N 3.22Å; I133-S135 VanDerWaalsContact C-N 3.28Å; I133-S135 PolarHBondContact O-N 3.48Å; I133-L136 WeakPolarHBondContact O-CB 3.18Å; I133-L136 PolarHBondContact O-N 3.34Å; I133-L136 VanDerWaalsContact O-N 3.17Å; I133-C137 PolarHBondContact O-N 3.12Å; I133-S211 WeakPolarHBondContact CB-O 3.36Å; I133-S211 VanDerWaalsContact CD1-O 3.26Å; I133-S211 WeakPolarHBondContact CD1-O 3.23Å; I133-S211 WeakPolarHBondContact CG2-O 3.28Å; I133-F212 HydrophobicContact CD1-CD2 4.34Å; I133-P215 HydrophobicContact CG2-CB 3.81Å; I133-P215 HydrophobicContact CG2-CG 4.37Å; I133-F305 HydrophobicContact CB-CE2 4.35Å; I133-F305 HydrophobicContact CB-CZ 4.09Å; I133-F305 HydrophobicContact CD1-CZ 4.35Å; I133-F305 HydrophobicContact CG1-CE2 3.63Å; I133-F305 HydrophobicContact CG1-CZ 3.61Å; I133-F305 HydrophobicContact CG2-CE1 4.31Å; I133-F305 HydrophobicContact CG2-CE2 4.34Å; I133-F305 HydrophobicContact CG2-CZ 3.6Å; I133-F313 HydrophobicContact CD1-CE2 3.68Å; I133-F313 HydrophobicContact CD1-CZ 3.75Å |
| 134 | L | 95.8 | Very high | 94.1 | Very high | 27 Ų | 27 | 13.4 Ų | 13.4 | 14% | 0.141 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 176.2 | -70.4 | -179.8 | 0 | 0 | 0 | 111.7 | T130 C137 I138 V169 S172 P215 | T130-L134 HydrophobicContact CG2-CD1 3.89Å; T130-L134 HydrophobicContact CG2-CG 4.26Å; T130-L134 WeakPolarHBondContact O-CB 3.2Å; T130-L134 WeakPolarHBondContact O-CG 3.36Å; T130-L134 PolarHBondContact O-N 2.96Å; L134-C137 WeakPolarHBondContact O-CB 3.48Å; L134-C137 PolarHBondContact O-N 2.94Å; L134-I138 WeakPolarHBondContact O-CG1 3.26Å; L134-I138 PolarHBondContact O-N 3.34Å; L134-V169 HydrophobicContact CB-CG1 3.85Å; L134-V169 HydrophobicContact CB-CG2 4.28Å; L134-S172 WeakPolarHBondContact CD1-OG 3.49Å; L134-P215 HydrophobicContact CD2-CB 4.34Å; L134-P215 HydrophobicContact CD2-CG 3.63Å |
| 135 | S | 95.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 172.3 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | N86 A131 S132 I133 C137 I138 I139 | N86-S135 PolarHBondContact ND2-OG 3.47Å; A131-S135 VanDerWaalsContact O-CB 3.24Å; A131-S135 WeakPolarHBondContact O-CB 3.44Å; A131-S135 PolarHBondContact O-N 2.64Å; A131-S135 PolarHBondContact O-OG 2.73Å; S132-S135 WeakPolarHBondContact O-CB 3.41Å; S132-S135 PolarHBondContact O-N 2.89Å; I133-S135 VanDerWaalsContact C-N 3.28Å; I133-S135 PolarHBondContact O-N 3.48Å; S135-C137 VanDerWaalsContact C-N 3.32Å; S135-C137 PolarHBondContact O-N 2.93Å; S135-I138 PolarHBondContact O-N 2.61Å; S135-I139 WeakPolarHBondContact O-CD1 3.29Å; S135-I139 WeakPolarHBondContact O-CG1 3.48Å; S135-I139 PolarHBondContact O-N 3.2Å |
| 136 | L | 92.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.016 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.4 | -38.1 | 174.1 | -72.7 | 171.4 | 0 | 0 | 0 | 112.3 | L87 S132 I133 I139 S140 I219 V301 F305 | L87-L136 HydrophobicContact CD1-CG 4.31Å; L87-L136 HydrophobicContact CD2-CD2 3.64Å; L87-L136 HydrophobicContact CD2-CG 4.15Å; S132-L136 WeakPolarHBondContact O-CG 3.44Å; S132-L136 PolarHBondContact O-N 3.15Å; I133-L136 WeakPolarHBondContact O-CB 3.18Å; I133-L136 PolarHBondContact O-N 3.34Å; I133-L136 VanDerWaalsContact O-N 3.17Å; L136-I139 HydrophobicContact CD2-CD1 4.44Å; L136-I139 PolarHBondContact O-N 3.41Å; L136-S140 PolarHBondContact O-N 3.26Å; L136-I219 HydrophobicContact CB-CD1 4.31Å; L136-V301 HydrophobicContact CD2-CG1 3.82Å; L136-F305 HydrophobicContact CD1-CB 3.92Å; L136-F305 HydrophobicContact CD1-CD1 4.13Å; L136-F305 HydrophobicContact CD1-CD2 3.19Å; L136-F305 HydrophobicContact CD1-CE2 3.72Å; L136-F305 HydrophobicContact CD1-CG 3.44Å; L136-F305 VanDerWaalsContact CD1-CG 3.44Å; L136-F305 HydrophobicContact CD1-CZ 4.39Å |
| 137 | C | 95.2 | Very high | 93.1 | Very high | 11 Ų | 11 | 12.7 Ų | 12.7 | 7% | 0.074 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 173.2 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | I133 L134 S135 I139 S140 I141 P215 V218 I219 | I133-C137 PolarHBondContact O-N 3.12Å; L134-C137 WeakPolarHBondContact O-CB 3.48Å; L134-C137 PolarHBondContact O-N 2.94Å; S135-C137 VanDerWaalsContact C-N 3.32Å; S135-C137 PolarHBondContact O-N 2.93Å; C137-I139 VanDerWaalsContact C-N 3.35Å; C137-I139 PolarHBondContact O-N 2.86Å; C137-S140 WeakPolarHBondContact O-CB 3.28Å; C137-S140 PolarHBondContact O-N 3.44Å; C137-S140 VanDerWaalsContact O-N 3.12Å; C137-S140 PolarHBondContact O-OG 3.43Å; C137-I141 PolarHBondContact O-N 3.03Å; C137-I141 VanDerWaalsContact O-N 3.15Å; C137-P215 HydrophobicContact CB-CB 4.15Å; C137-V218 WeakPolarHBondContact SG-CG1 3.18Å; C137-I219 HydrophobicContact CB-CD1 4.19Å; C137-I219 HydrophobicContact CB-CG1 4.05Å |
| 138 | I | 94.9 | Very high | 92.6 | Very high | 34 Ų | 34 | 15.3 Ų | 15.3 | 17% | 0.174 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 175.6 | -66.7 | -54.5 | 0 | 0 | 0 | 111.9 | F83 L134 S135 S140 I141 D142 I165 V169 | F83-I138 HydrophobicContact CD1-CG2 3.81Å; F83-I138 HydrophobicContact CE1-CG2 3.68Å; F83-I138 HydrophobicContact CE2-CG2 4.48Å; F83-I138 HydrophobicContact CG-CG2 4.29Å; F83-I138 HydrophobicContact CZ-CG2 4.04Å; L134-I138 WeakPolarHBondContact O-CG1 3.26Å; L134-I138 PolarHBondContact O-N 3.34Å; S135-I138 PolarHBondContact O-N 2.61Å; I138-S140 VanDerWaalsContact C-N 3.26Å; I138-S140 PolarHBondContact O-N 3.27Å; I138-I141 HydrophobicContact CD1-CD1 4.37Å; I138-I141 PolarHBondContact O-N 3.25Å; I138-D142 WeakPolarHBondContact O-CB 3.46Å; I138-D142 PolarHBondContact O-N 3.09Å; I138-I165 HydrophobicContact CB-CG2 4.31Å; I138-I165 HydrophobicContact CD1-CG2 3.61Å; I138-I165 HydrophobicContact CG1-CG2 3.69Å; I138-I165 HydrophobicContact CG2-CG2 3.63Å; I138-V169 HydrophobicContact CG1-CG2 3.86Å |
| 139 | I | 92.9 | Very high | 92 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.3 | -41 | 175.3 | -69.9 | 163.1 | 0 | 0 | 0 | 110.3 | F83 L87 S135 L136 C137 I141 D142 R143 L298 | F83-I139 HydrophobicContact CB-CD1 4.3Å; F83-I139 HydrophobicContact CB-CG1 3.67Å; L87-I139 HydrophobicContact CB-CD1 4.49Å; L87-I139 HydrophobicContact CD2-CD1 4.05Å; S135-I139 WeakPolarHBondContact O-CD1 3.29Å; S135-I139 WeakPolarHBondContact O-CG1 3.48Å; S135-I139 PolarHBondContact O-N 3.2Å; L136-I139 HydrophobicContact CD2-CD1 4.44Å; L136-I139 PolarHBondContact O-N 3.41Å; C137-I139 VanDerWaalsContact C-N 3.35Å; C137-I139 PolarHBondContact O-N 2.86Å; I139-I141 PolarHBondContact O-N 3.47Å; I139-D142 PolarHBondContact O-N 3.41Å; I139-R143 HydrophobicContact CG2-CG 4.44Å; I139-R143 WeakPolarHBondContact O-CB 3.24Å; I139-R143 VanDerWaalsContact O-CG 3.27Å; I139-R143 WeakPolarHBondContact O-CG 3.31Å; I139-R143 PolarHBondContact O-N 2.84Å; I139-L298 HydrophobicContact CG2-CD1 4.29Å; I139-L298 HydrophobicContact CG2-CD2 4Å |
| 140 | S | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 177.6 | 82.5 | 0 | 0 | 0 | 0 | 112.7 | L136 C137 I138 R143 Y144 | L136-S140 PolarHBondContact O-N 3.26Å; C137-S140 WeakPolarHBondContact O-CB 3.28Å; C137-S140 PolarHBondContact O-N 3.44Å; C137-S140 VanDerWaalsContact O-N 3.12Å; C137-S140 PolarHBondContact O-OG 3.43Å; I138-S140 VanDerWaalsContact C-N 3.26Å; I138-S140 PolarHBondContact O-N 3.27Å; S140-R143 PolarHBondContact O-N 3.4Å; S140-Y144 PolarHBondContact O-N 2.92Å |
| 141 | I | 93.6 | Very high | 90.5 | Very high | 55 Ų | 55 | 25.3 Ų | 25.3 | 28% | 0.282 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -67.5 | -47 | 177.9 | -64.3 | 168.1 | 0 | 0 | 0 | 110.1 | C137 I138 I139 R143 Y144 I145 V218 M222 | C137-I141 PolarHBondContact O-N 3.03Å; C137-I141 VanDerWaalsContact O-N 3.15Å; I138-I141 HydrophobicContact CD1-CD1 4.37Å; I138-I141 PolarHBondContact O-N 3.25Å; I139-I141 PolarHBondContact O-N 3.47Å; I141-R143 VanDerWaalsContact C-N 3.25Å; I141-R143 PolarHBondContact O-N 3.12Å; I141-Y144 WeakPolarHBondContact O-CB 3.27Å; I141-Y144 PolarHBondContact O-N 3.41Å; I141-Y144 VanDerWaalsContact O-N 3.11Å; I141-I145 HydrophobicContact CG2-CD1 3.94Å; I141-I145 HydrophobicContact CG2-CG1 4.49Å; I141-I145 WeakPolarHBondContact O-CG1 3.5Å; I141-I145 PolarHBondContact O-N 2.79Å; I141-V218 HydrophobicContact CD1-CG1 4.06Å; I141-V218 HydrophobicContact CG1-CG1 4.2Å; I141-M222 HydrophobicContact CG1-CG 3.83Å; I141-M222 HydrophobicContact CG1-SD 4.23Å |
| 142 | D | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.3 | -41.9 | 176.7 | 173.9 | 77.3 | 0 | 0 | 0 | 111.2 | T80 F83 I138 I139 I145 G146 Y153 M157 | T80-D142 WeakPolarHBondContact CG2-OD2 3.2Å; T80-D142 PolarHBondContact OG1-OD2 3.42Å; F83-D142 HydrophobicContact CD2-CB 4.26Å; F83-D142 HydrophobicContact CE2-CB 4.1Å; I138-D142 WeakPolarHBondContact O-CB 3.46Å; I138-D142 PolarHBondContact O-N 3.09Å; I139-D142 PolarHBondContact O-N 3.41Å; D142-I145 PolarHBondContact O-N 3.42Å; D142-G146 PolarHBondContact O-N 2.84Å; D142-Y153 VanDerWaalsContact OD1-CE2 3.24Å; D142-Y153 WeakPolarHBondContact OD1-CE2 3.35Å; D142-Y153 PolarHBondContact OD1-OH 3.42Å; D142-M157 HydrophobicContact CB-CE 3.98Å; D142-M157 VanDerWaalsContact OD1-CE 3.28Å; D142-M157 WeakPolarHBondContact OD1-CE 3.38Å |
| 143 | R | 89.1 | Confident | 89.4 | Confident | 9 Ų | 9 | 32.7 Ų | 32.7 | 3% | 0.034 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 175.1 | -72.5 | -52.2 | 87.9 | -165 | -10.5 | 113.7 | T80 I139 S140 I141 I145 G146 V147 E291 L298 | T80-R143 VanDerWaalsContact CG2-NH2 3.28Å; T80-R143 PolarHBondContact OG1-NH2 3.45Å; I139-R143 HydrophobicContact CG2-CG 4.44Å; I139-R143 WeakPolarHBondContact O-CB 3.24Å; I139-R143 VanDerWaalsContact O-CG 3.27Å; I139-R143 WeakPolarHBondContact O-CG 3.31Å; I139-R143 PolarHBondContact O-N 2.84Å; S140-R143 PolarHBondContact O-N 3.4Å; I141-R143 VanDerWaalsContact C-N 3.25Å; I141-R143 PolarHBondContact O-N 3.12Å; R143-I145 VanDerWaalsContact C-N 3.33Å; R143-I145 PolarHBondContact O-N 3.06Å; R143-G146 PolarHBondContact O-N 3.24Å; R143-V147 WeakPolarHBondContact O-CB 3.33Å; R143-V147 VanDerWaalsContact O-CG2 3.31Å; R143-V147 WeakPolarHBondContact O-CG2 3.48Å; R143-V147 PolarHBondContact O-N 3.22Å; R143-E291 IonicContact CZ-OE2 2.86Å; R143-E291 IonicContact NH1-OE2 2.76Å; R143-E291 PolarHBondContact NH1-OE2 3.26Å; R143-L298 HydrophobicContact CG-CD1 3.22Å; R143-L298 HydrophobicContact CG-CG 4.46Å |
| 144 | Y | 90.3 | Very high | 88.8 | Confident | 38 Ų | 38 | 37 Ų | 37 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.5 | -47.7 | 172.5 | 171.6 | -108.3 | 0 | 0 | 0 | 111.6 | S140 I141 V147 K148 M222 Q225 V226 V229 | S140-Y144 PolarHBondContact O-N 2.92Å; I141-Y144 WeakPolarHBondContact O-CB 3.27Å; I141-Y144 PolarHBondContact O-N 3.41Å; I141-Y144 VanDerWaalsContact O-N 3.11Å; Y144-V147 PolarHBondContact O-N 3.27Å; Y144-K148 HydrophobicContact CE1-CD 3.96Å; Y144-K148 HydrophobicContact CE2-CB 4.35Å; Y144-K148 HydrophobicContact CE2-CD 3.8Å; Y144-K148 WeakPolarHBondContact O-CB 3.29Å; Y144-K148 PolarHBondContact O-N 3.36Å; Y144-K148 WeakPolarHBondContact OH-CD 3.31Å; Y144-K148 WeakPolarHBondContact OH-CE 3.1Å; Y144-K148 PolarHBondContact OH-NZ 3.49Å; Y144-M222 HydrophobicContact CD1-SD 3.94Å; Y144-M222 HydrophobicContact CG-SD 4.01Å; Y144-Q225 HydrophobicContact CD2-CB 3.77Å; Y144-Q225 HydrophobicContact CE2-CB 3.55Å; Y144-Q225 HydrophobicContact CE2-CG 4.45Å; Y144-V226 HydrophobicContact CD2-CG2 4.22Å; Y144-V229 HydrophobicContact CE2-CG2 4.42Å |
| 145 | I | 90.9 | Very high | 88.3 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -44 | 178.4 | -60.7 | 168.1 | 0 | 0 | 0 | 110.5 | I141 D142 R143 V147 Y149 Y153 I156 | I141-I145 HydrophobicContact CG2-CD1 3.94Å; I141-I145 HydrophobicContact CG2-CG1 4.49Å; I141-I145 WeakPolarHBondContact O-CG1 3.5Å; I141-I145 PolarHBondContact O-N 2.79Å; D142-I145 PolarHBondContact O-N 3.42Å; R143-I145 VanDerWaalsContact C-N 3.33Å; R143-I145 PolarHBondContact O-N 3.06Å; I145-V147 PolarHBondContact O-N 3.23Å; I145-Y149 HydrophobicContact CG2-CD2 4.28Å; I145-Y149 WeakPolarHBondContact O-CA 3.37Å; I145-Y149 WeakPolarHBondContact O-CB 3.33Å; I145-Y149 PolarHBondContact O-N 2.91Å; I145-Y153 HydrophobicContact CG2-CD2 4.03Å; I145-I156 HydrophobicContact CG2-CB 4.47Å; I145-I156 HydrophobicContact CG2-CD1 4.24Å; I145-I156 HydrophobicContact CG2-CG2 3.96Å |
| 146 | G | 87 | Confident | 87.9 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D142 R143 C150 | D142-G146 PolarHBondContact O-N 2.84Å; R143-G146 PolarHBondContact O-N 3.24Å; G146-C150 WeakPolarHBondContact O-CA 3.39Å; G146-C150 WeakPolarHBondContact O-CB 3.47Å; G146-C150 PolarHBondContact O-N 3.35Å |
| 147 | V | 85.2 | Confident | 87.8 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -78.1 | -41.5 | 178.9 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | R143 Y144 I145 V226 V229 F288 E291 A295 | R143-V147 WeakPolarHBondContact O-CB 3.33Å; R143-V147 VanDerWaalsContact O-CG2 3.31Å; R143-V147 WeakPolarHBondContact O-CG2 3.48Å; R143-V147 PolarHBondContact O-N 3.22Å; Y144-V147 PolarHBondContact O-N 3.27Å; I145-V147 PolarHBondContact O-N 3.23Å; V147-V226 HydrophobicContact CG2-CG1 4.27Å; V147-V229 HydrophobicContact CG1-CG1 4.02Å; V147-F288 HydrophobicContact CG1-CE2 4.31Å; V147-E291 HydrophobicContact CG2-CB 4.34Å; V147-A295 HydrophobicContact CG2-CB 4.11Å |
| 148 | K | 85 | Confident | 87.5 | Confident | 85 Ų | 85 | 44.5 Ų | 44.5 | 37% | 0.37 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -75.3 | -40.7 | -178.5 | -175.5 | 174.6 | 179.2 | -163.4 | 0 | 112.9 | Y144 V229 | Y144-K148 HydrophobicContact CE1-CD 3.96Å; Y144-K148 HydrophobicContact CE2-CB 4.35Å; Y144-K148 HydrophobicContact CE2-CD 3.8Å; Y144-K148 WeakPolarHBondContact O-CB 3.29Å; Y144-K148 PolarHBondContact O-N 3.36Å; Y144-K148 WeakPolarHBondContact OH-CD 3.31Å; Y144-K148 WeakPolarHBondContact OH-CE 3.1Å; Y144-K148 PolarHBondContact OH-NZ 3.49Å; K148-V229 HydrophobicContact CB-CG1 4.4Å |
| 149 | Y | 83.5 | Confident | 87.3 | Confident | 101 Ų | 101 | 49.6 Ų | 49.6 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -120.4 | 46 | -173.7 | -57.3 | -70.2 | 0 | 0 | 0 | 111.8 | I145 L151 K152 Y153 I156 | I145-Y149 HydrophobicContact CG2-CD2 4.28Å; I145-Y149 WeakPolarHBondContact O-CA 3.37Å; I145-Y149 WeakPolarHBondContact O-CB 3.33Å; I145-Y149 PolarHBondContact O-N 2.91Å; Y149-L151 PolarHBondContact O-N 2.98Å; Y149-K152 CarbonylContact O-C 3.52Å; Y149-K152 PolarHBondContact O-N 3.48Å; Y149-Y153 WeakPolarHBondContact O-CB 3.36Å; Y149-Y153 PolarHBondContact O-N 3.44Å; Y149-I156 HydrophobicContact CD2-CD1 4.33Å; Y149-I156 HydrophobicContact CG-CD1 4.17Å |
| 150 | C | 79.9 | Confident | 87.2 | Confident | 34 Ų | 34 | 60 Ų | 60 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -24.8 | -172.2 | 65.2 | 0 | 0 | 0 | 0 | 116.2 | G146 | G146-C150 WeakPolarHBondContact O-CA 3.39Å; G146-C150 WeakPolarHBondContact O-CB 3.47Å; G146-C150 PolarHBondContact O-N 3.35Å |
| 151 | L | 77.4 | Confident | 87.3 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 45% | 0.45 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -31.2 | 176.9 | -57.9 | 176 | 0 | 0 | 0 | 113.9 | Y149 R284 | Y149-L151 PolarHBondContact O-N 2.98Å; L151-R284 HydrophobicContact CD1-CG 3.81Å; L151-R284 HydrophobicContact CD2-CG 3.78Å; L151-R284 HydrophobicContact CG-CG 4.35Å |
| 152 | K | 83 | Confident | 87.2 | Confident | 127 Ų | 127 | 64.3 Ų | 64.3 | 55% | 0.552 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -7.7 | 176.8 | -61.3 | -171.5 | 177.3 | -169.7 | 0 | 112 | Y149 S155 I156 | Y149-K152 CarbonylContact O-C 3.52Å; Y149-K152 PolarHBondContact O-N 3.48Å; K152-S155 PolarHBondContact O-N 2.86Å; K152-S155 PolarHBondContact O-OG 2.89Å; K152-I156 HydrophobicContact CB-CD1 3.78Å; K152-I156 HydrophobicContact CB-CG1 4.31Å; K152-I156 VanDerWaalsContact O-CG1 3.27Å; K152-I156 WeakPolarHBondContact O-CG1 3.49Å; K152-I156 PolarHBondContact O-N 3.35Å |
| 153 | Y | 86.2 | Confident | 87.3 | Confident | 31 Ų | 31 | 68.5 Ų | 68.5 | 12% | 0.122 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -51.5 | -47.6 | -179.5 | 176 | -93.5 | 0 | 0 | 0 | 113.3 | T80 D142 I145 Y149 S155 I156 M157 | T80-Y153 PolarHBondContact OG1-OH 3Å; T80-Y153 VanDerWaalsContact OG1-OH 3.06Å; D142-Y153 VanDerWaalsContact OD1-CE2 3.24Å; D142-Y153 WeakPolarHBondContact OD1-CE2 3.35Å; D142-Y153 PolarHBondContact OD1-OH 3.42Å; I145-Y153 HydrophobicContact CG2-CD2 4.03Å; Y149-Y153 WeakPolarHBondContact O-CB 3.36Å; Y149-Y153 PolarHBondContact O-N 3.44Å; Y153-S155 PolarHBondContact O-N 3.49Å; Y153-I156 PolarHBondContact O-N 2.92Å; Y153-I156 VanDerWaalsContact O-N 3.16Å; Y153-M157 HydrophobicContact CD2-CB 4.32Å; Y153-M157 HydrophobicContact CE1-CB 4.44Å; Y153-M157 HydrophobicContact CE2-CB 3.85Å; Y153-M157 HydrophobicContact CE2-CG 4.33Å; Y153-M157 PolarHBondContact O-N 2.87Å |
| 154 | P | 82.4 | Confident | 87.6 | Confident | 92 Ų | 92 | 70.9 Ų | 70.9 | 60% | 0.597 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.7 | -23.5 | -179.7 | -21.4 | 34.5 | 0 | 0 | 0 | 114.4 | ||
| 155 | S | 84.9 | Confident | 87.9 | Confident | 85 Ų | 85 | 71.3 Ų | 71.3 | 59% | 0.594 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -90 | -26.6 | 175.4 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | K152 Y153 | K152-S155 PolarHBondContact O-N 2.86Å; K152-S155 PolarHBondContact O-OG 2.89Å; Y153-S155 PolarHBondContact O-N 3.49Å |
| 156 | I | 88.2 | Confident | 88.1 | Confident | 53 Ų | 53 | 71.3 Ų | 71.3 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -77.5 | -51.7 | 177.5 | -65.1 | 164.1 | 0 | 0 | 0 | 110.6 | I145 Y149 K152 Y153 R161 | I145-I156 HydrophobicContact CG2-CB 4.47Å; I145-I156 HydrophobicContact CG2-CD1 4.24Å; I145-I156 HydrophobicContact CG2-CG2 3.96Å; Y149-I156 HydrophobicContact CD2-CD1 4.33Å; Y149-I156 HydrophobicContact CG-CD1 4.17Å; K152-I156 HydrophobicContact CB-CD1 3.78Å; K152-I156 HydrophobicContact CB-CG1 4.31Å; K152-I156 VanDerWaalsContact O-CG1 3.27Å; K152-I156 WeakPolarHBondContact O-CG1 3.49Å; K152-I156 PolarHBondContact O-N 3.35Å; Y153-I156 PolarHBondContact O-N 2.92Å; Y153-I156 VanDerWaalsContact O-N 3.16Å; I156-R161 WeakPolarHBondContact O-CD 3.34Å; I156-R161 PolarHBondContact O-NH1 3.11Å |
| 157 | M | 88.5 | Confident | 88.6 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 6% | 0.059 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -97.8 | 101.5 | -176.3 | -163.7 | 64.9 | 107.2 | 0 | 0 | 108.6 | I79 F83 D142 Y153 I165 | I79-M157 HydrophobicContact CB-CG 4.49Å; I79-M157 HydrophobicContact CD1-CG 4.47Å; I79-M157 WeakPolarHBondContact CD1-O 3.5Å; I79-M157 HydrophobicContact CG2-CG 3.66Å; F83-M157 HydrophobicContact CE2-CE 3.79Å; F83-M157 HydrophobicContact CZ-CE 3.84Å; F83-M157 HydrophobicContact CZ-SD 4.4Å; D142-M157 HydrophobicContact CB-CE 3.98Å; D142-M157 VanDerWaalsContact OD1-CE 3.28Å; D142-M157 WeakPolarHBondContact OD1-CE 3.38Å; Y153-M157 HydrophobicContact CD2-CB 4.32Å; Y153-M157 HydrophobicContact CE1-CB 4.44Å; Y153-M157 HydrophobicContact CE2-CB 3.85Å; Y153-M157 HydrophobicContact CE2-CG 4.33Å; Y153-M157 PolarHBondContact O-N 2.87Å; M157-I165 HydrophobicContact CE-CD1 4.37Å; M157-I165 HydrophobicContact SD-CD1 4.29Å |
| 158 | T | 90.9 | Very high | 89.1 | Confident | 51 Ų | 51 | 80.7 Ų | 80.7 | 31% | 0.313 | 41% | 0.409 | S | S | . | . | trans | -103.8 | 158.8 | 178.2 | 65.7 | 0 | 0 | 0 | 0 | 110.5 | R160 R161 A162 | T158-R160 VanDerWaalsContact C-N 3.31Å; T158-R160 PolarHBondContact O-N 3.39Å; T158-R161 PolarHBondContact O-N 2.94Å; T158-R161 VanDerWaalsContact O-N 3.17Å; T158-R161 WeakPolarHBondContact OG1-CG 3.44Å; T158-R161 PolarHBondContact OG1-N 3.18Å; T158-A162 PolarHBondContact O-N 3.27Å | ||
| 159 | E | 89.2 | Confident | 89.7 | Confident | 140 Ų | 140 | 77 Ų | 77 | 65% | 0.654 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -57.7 | -42.7 | 179.7 | -64.7 | -178.4 | 172 | 0 | 0 | 112.4 | I79 R161 A162 V163 | I79-E159 HydrophobicContact CG1-CG 4.48Å; E159-R161 VanDerWaalsContact C-N 3.33Å; E159-R161 PolarHBondContact O-N 2.85Å; E159-A162 PolarHBondContact O-N 2.94Å; E159-V163 WeakPolarHBondContact O-CG2 3.48Å; E159-V163 PolarHBondContact O-N 3.44Å |
| 160 | R | 91.7 | Very high | 90.4 | Very high | 222 Ų | 222 | 75.5 Ų | 75.5 | 84% | 0.838 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 177.7 | -64.5 | -176.6 | -175.3 | 173.1 | 0.8 | 112.2 | T158 A164 | T158-R160 VanDerWaalsContact C-N 3.31Å; T158-R160 PolarHBondContact O-N 3.39Å; R160-A164 WeakPolarHBondContact O-CB 3.36Å; R160-A164 PolarHBondContact O-N 3.45Å |
| 161 | R | 93.6 | Very high | 91.2 | Very high | 141 Ų | 141 | 77.7 Ų | 77.7 | 53% | 0.532 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 176.6 | -73.3 | 178 | 176.1 | 179.9 | -2.6 | 111.2 | I156 T158 E159 A164 I165 | I156-R161 WeakPolarHBondContact O-CD 3.34Å; I156-R161 PolarHBondContact O-NH1 3.11Å; T158-R161 PolarHBondContact O-N 2.94Å; T158-R161 VanDerWaalsContact O-N 3.17Å; T158-R161 WeakPolarHBondContact OG1-CG 3.44Å; T158-R161 PolarHBondContact OG1-N 3.18Å; E159-R161 VanDerWaalsContact C-N 3.33Å; E159-R161 PolarHBondContact O-N 2.85Å; R161-A164 PolarHBondContact O-N 3.03Å; R161-I165 VanDerWaalsContact O-CG1 3.24Å; R161-I165 WeakPolarHBondContact O-CG1 3.34Å; R161-I165 PolarHBondContact O-N 2.89Å |
| 162 | A | 92.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 75.4 Ų | 75.4 | 5% | 0.05 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I79 F83 T158 E159 A164 I165 L166 | I79-A162 HydrophobicContact CG2-CB 3.61Å; F83-A162 HydrophobicContact CE1-CB 4.22Å; F83-A162 HydrophobicContact CZ-CB 3.84Å; T158-A162 PolarHBondContact O-N 3.27Å; E159-A162 PolarHBondContact O-N 2.94Å; A162-A164 PolarHBondContact O-N 3.45Å; A162-I165 PolarHBondContact O-N 3.28Å; A162-L166 WeakPolarHBondContact O-CG 3.24Å; A162-L166 PolarHBondContact O-N 3.01Å |
| 163 | V | 93.8 | Very high | 92.8 | Very high | 88 Ų | 88 | 69.3 Ų | 69.3 | 53% | 0.533 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | E159 I165 L166 V167 | E159-V163 WeakPolarHBondContact O-CG2 3.48Å; E159-V163 PolarHBondContact O-N 3.44Å; V163-I165 VanDerWaalsContact C-N 3.33Å; V163-I165 PolarHBondContact O-N 3.49Å; V163-L166 PolarHBondContact O-N 2.84Å; V163-V167 HydrophobicContact CG1-CG2 4.43Å; V163-V167 WeakPolarHBondContact O-CG2 3.47Å; V163-V167 PolarHBondContact O-N 2.99Å |
| 164 | A | 96.1 | Very high | 93.2 | Very high | 60 Ų | 60 | 71.2 Ų | 71.2 | 50% | 0.496 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R160 R161 A162 V167 L168 | R160-A164 WeakPolarHBondContact O-CB 3.36Å; R160-A164 PolarHBondContact O-N 3.45Å; R161-A164 PolarHBondContact O-N 3.03Å; A162-A164 PolarHBondContact O-N 3.45Å; A164-V167 PolarHBondContact O-N 3.45Å; A164-L168 WeakPolarHBondContact O-CB 3.39Å; A164-L168 PolarHBondContact O-N 3.17Å |
| 165 | I | 95.9 | Very high | 93.8 | Very high | 46 Ų | 46 | 71.2 Ų | 71.2 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 174.8 | -68.9 | 163.7 | 0 | 0 | 0 | 110.7 | F83 I138 M157 R161 A162 V163 L168 V169 | F83-I165 HydrophobicContact CE1-CG2 4.37Å; I138-I165 HydrophobicContact CB-CG2 4.31Å; I138-I165 HydrophobicContact CD1-CG2 3.61Å; I138-I165 HydrophobicContact CG1-CG2 3.69Å; I138-I165 HydrophobicContact CG2-CG2 3.63Å; M157-I165 HydrophobicContact CE-CD1 4.37Å; M157-I165 HydrophobicContact SD-CD1 4.29Å; R161-I165 VanDerWaalsContact O-CG1 3.24Å; R161-I165 WeakPolarHBondContact O-CG1 3.34Å; R161-I165 PolarHBondContact O-N 2.89Å; A162-I165 PolarHBondContact O-N 3.28Å; V163-I165 VanDerWaalsContact C-N 3.33Å; V163-I165 PolarHBondContact O-N 3.49Å; I165-L168 WeakPolarHBondContact O-CB 3.32Å; I165-L168 PolarHBondContact O-N 2.92Å; I165-V169 WeakPolarHBondContact O-CG2 3.43Å; I165-V169 PolarHBondContact O-N 3.24Å |
| 166 | L | 95.4 | Very high | 94.2 | Very high | 32 Ų | 32 | 67.8 Ų | 67.8 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -44.8 | 177.9 | -70 | -178.8 | 0 | 0 | 0 | 111.8 | F83 N86 A162 V163 L168 V169 W170 | F83-L166 HydrophobicContact CD1-CD2 3.7Å; F83-L166 HydrophobicContact CD1-CG 4.25Å; F83-L166 HydrophobicContact CE1-CD2 4.08Å; F83-L166 HydrophobicContact CE1-CG 4.22Å; N86-L166 HydrophobicContact CB-CD1 4.29Å; N86-L166 HydrophobicContact CB-CD2 3.64Å; N86-L166 VanDerWaalsContact CG-CD2 3.46Å; A162-L166 WeakPolarHBondContact O-CG 3.24Å; A162-L166 PolarHBondContact O-N 3.01Å; V163-L166 PolarHBondContact O-N 2.84Å; L166-L168 VanDerWaalsContact C-N 3.29Å; L166-L168 PolarHBondContact O-N 3.28Å; L166-V169 WeakPolarHBondContact O-CB 3.34Å; L166-V169 PolarHBondContact O-N 3.06Å; L166-V169 VanDerWaalsContact O-N 3.17Å; L166-W170 PolarHBondContact O-N 2.97Å; L166-W170 VanDerWaalsContact O-N 3.1Å |
| 167 | V | 96.8 | Very high | 94.5 | Very high | 85 Ų | 85 | 65.6 Ų | 65.6 | 52% | 0.515 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 174.9 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | V163 A164 V169 W170 V171 | V163-V167 HydrophobicContact CG1-CG2 4.43Å; V163-V167 WeakPolarHBondContact O-CG2 3.47Å; V163-V167 PolarHBondContact O-N 2.99Å; A164-V167 PolarHBondContact O-N 3.45Å; V167-V169 VanDerWaalsContact C-N 3.31Å; V167-V169 PolarHBondContact O-N 3.4Å; V167-W170 PolarHBondContact O-N 2.88Å; V167-V171 HydrophobicContact CG1-CG2 4.23Å; V167-V171 WeakPolarHBondContact O-CB 3.24Å; V167-V171 VanDerWaalsContact O-CG2 3.3Å; V167-V171 WeakPolarHBondContact O-CG2 3.24Å; V167-V171 PolarHBondContact O-N 3.02Å |
| 168 | L | 96.5 | Very high | 94.7 | Very high | 117 Ų | 117 | 67.4 Ų | 67.4 | 61% | 0.613 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.4 | -41.9 | 176.9 | -177.2 | 64.2 | 0 | 0 | 0 | 112.1 | A164 I165 L166 V171 S172 | A164-L168 WeakPolarHBondContact O-CB 3.39Å; A164-L168 PolarHBondContact O-N 3.17Å; I165-L168 WeakPolarHBondContact O-CB 3.32Å; I165-L168 PolarHBondContact O-N 2.92Å; L166-L168 VanDerWaalsContact C-N 3.29Å; L166-L168 PolarHBondContact O-N 3.28Å; L168-V171 PolarHBondContact O-N 3.39Å; L168-S172 WeakPolarHBondContact O-CB 3.48Å; L168-S172 PolarHBondContact O-N 3.21Å; L168-S172 PolarHBondContact O-OG 2.87Å; L168-S172 VanDerWaalsContact O-OG 3.08Å |
| 169 | V | 97.2 | Very high | 94.6 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 176.9 | 165.8 | 0 | 0 | 0 | 0 | 111.6 | L134 I138 I165 L166 V167 S172 S173 | L134-V169 HydrophobicContact CB-CG1 3.85Å; L134-V169 HydrophobicContact CB-CG2 4.28Å; I138-V169 HydrophobicContact CG1-CG2 3.86Å; I165-V169 WeakPolarHBondContact O-CG2 3.43Å; I165-V169 PolarHBondContact O-N 3.24Å; L166-V169 WeakPolarHBondContact O-CB 3.34Å; L166-V169 PolarHBondContact O-N 3.06Å; L166-V169 VanDerWaalsContact O-N 3.17Å; V167-V169 VanDerWaalsContact C-N 3.31Å; V167-V169 PolarHBondContact O-N 3.4Å; V169-S172 PolarHBondContact O-OG 3.11Å; V169-S172 VanDerWaalsContact O-OG 3.05Å; V169-S173 VanDerWaalsContact O-CB 3.32Å; V169-S173 WeakPolarHBondContact O-CB 3.25Å; V169-S173 PolarHBondContact O-N 3.24Å; V169-S173 PolarHBondContact O-OG 2.93Å |
| 170 | W | 97.6 | Very high | 94.4 | Very high | 70 Ų | 70 | 59.4 Ų | 59.4 | 27% | 0.265 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.9 | -40 | 179.8 | -75.6 | 102.9 | 0 | 0 | 0 | 112.3 | N86 A90 L93 A131 L166 V167 S173 T174 | N86-W170 PolarHBondContact OD1-NE1 2.76Å; A90-W170 HydrophobicContact CB-CH2 4.12Å; A90-W170 HydrophobicContact CB-CZ2 4.31Å; L93-W170 HydrophobicContact CD2-CH2 4.33Å; L93-W170 HydrophobicContact CD2-CZ3 4.31Å; A131-W170 HydrophobicContact CB-CE3 4.2Å; A131-W170 HydrophobicContact CB-CH2 4.24Å; A131-W170 HydrophobicContact CB-CZ3 4.04Å; L166-W170 PolarHBondContact O-N 2.97Å; L166-W170 VanDerWaalsContact O-N 3.1Å; V167-W170 PolarHBondContact O-N 2.88Å; W170-S173 PolarHBondContact O-N 3.49Å; W170-T174 WeakPolarHBondContact O-CB 3.43Å; W170-T174 PolarHBondContact O-N 3.32Å; W170-T174 PolarHBondContact O-OG1 3.23Å |
| 171 | V | 97.6 | Very high | 94.2 | Very high | 80 Ų | 80 | 53 Ų | 53 | 49% | 0.485 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.3 | -49.1 | 175.8 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | V167 L168 S173 T174 V175 | V167-V171 HydrophobicContact CG1-CG2 4.23Å; V167-V171 WeakPolarHBondContact O-CB 3.24Å; V167-V171 VanDerWaalsContact O-CG2 3.3Å; V167-V171 WeakPolarHBondContact O-CG2 3.24Å; V167-V171 PolarHBondContact O-N 3.02Å; L168-V171 PolarHBondContact O-N 3.39Å; V171-S173 VanDerWaalsContact C-N 3.31Å; V171-S173 PolarHBondContact O-N 3.14Å; V171-T174 PolarHBondContact O-N 2.95Å; V171-V175 WeakPolarHBondContact O-CG2 3.1Å; V171-V175 PolarHBondContact O-N 2.96Å |
| 172 | S | 96 | Very high | 93.9 | Very high | 38 Ų | 38 | 53 Ų | 53 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 178.5 | 63.8 | 0 | 0 | 0 | 0 | 112.1 | L134 L168 V169 T174 V175 I176 | L134-S172 WeakPolarHBondContact CD1-OG 3.49Å; L168-S172 WeakPolarHBondContact O-CB 3.48Å; L168-S172 PolarHBondContact O-N 3.21Å; L168-S172 PolarHBondContact O-OG 2.87Å; L168-S172 VanDerWaalsContact O-OG 3.08Å; V169-S172 PolarHBondContact O-OG 3.11Å; V169-S172 VanDerWaalsContact O-OG 3.05Å; S172-T174 VanDerWaalsContact C-N 3.33Å; S172-T174 PolarHBondContact O-N 3.3Å; S172-V175 PolarHBondContact O-N 3.26Å; S172-I176 WeakPolarHBondContact O-CD1 3.48Å; S172-I176 VanDerWaalsContact O-CG1 3.31Å; S172-I176 WeakPolarHBondContact O-CG1 3.44Å; S172-I176 PolarHBondContact O-N 3.42Å; S172-I176 VanDerWaalsContact O-N 3.1Å |
| 173 | S | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 175.8 | -54.4 | 0 | 0 | 0 | 0 | 112 | A131 V169 W170 V171 I176 S177 | A131-S173 VanDerWaalsContact CA-OG 3.24Å; A131-S173 WeakPolarHBondContact CA-OG 3.49Å; A131-S173 PolarHBondContact N-OG 3.3Å; V169-S173 VanDerWaalsContact O-CB 3.32Å; V169-S173 WeakPolarHBondContact O-CB 3.25Å; V169-S173 PolarHBondContact O-N 3.24Å; V169-S173 PolarHBondContact O-OG 2.93Å; W170-S173 PolarHBondContact O-N 3.49Å; V171-S173 VanDerWaalsContact C-N 3.31Å; V171-S173 PolarHBondContact O-N 3.14Å; S173-I176 PolarHBondContact O-N 2.68Å; S173-S177 WeakPolarHBondContact O-CB 3.5Å; S173-S177 PolarHBondContact O-N 3.33Å; S173-S177 PolarHBondContact O-OG 3.43Å |
| 174 | T | 95.6 | Very high | 92.8 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 43% | 0.429 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.5 | -41.2 | 177.6 | -54.1 | 0 | 0 | 0 | 0 | 111.9 | L127 W170 V171 S172 I176 S177 V178 | L127-T174 WeakPolarHBondContact CD1-OG1 3.38Å; W170-T174 WeakPolarHBondContact O-CB 3.43Å; W170-T174 PolarHBondContact O-N 3.32Å; W170-T174 PolarHBondContact O-OG1 3.23Å; V171-T174 PolarHBondContact O-N 2.95Å; S172-T174 VanDerWaalsContact C-N 3.33Å; S172-T174 PolarHBondContact O-N 3.3Å; T174-I176 VanDerWaalsContact C-N 3.28Å; T174-I176 PolarHBondContact O-N 2.94Å; T174-S177 PolarHBondContact O-N 3.03Å; T174-S177 PolarHBondContact O-OG 3.42Å; T174-V178 WeakPolarHBondContact O-CB 3.19Å; T174-V178 PolarHBondContact O-N 2.9Å; T174-V178 VanDerWaalsContact O-N 3.12Å |
| 175 | V | 95 | Very high | 92.1 | Very high | 93 Ų | 93 | 56.8 Ų | 56.8 | 56% | 0.564 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.9 | -38.5 | 176.4 | 170 | 0 | 0 | 0 | 0 | 111.2 | V171 S172 | V171-V175 WeakPolarHBondContact O-CG2 3.1Å; V171-V175 PolarHBondContact O-N 2.96Å; S172-V175 PolarHBondContact O-N 3.26Å |
| 176 | I | 93.9 | Very high | 91.1 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.2 | -39.9 | 178.5 | -63.6 | 161.1 | 0 | 0 | 0 | 110.9 | T130 S172 S173 T174 Y203 F206 F210 S211 | T130-I176 HydrophobicContact CG2-CD1 3.81Å; S172-I176 WeakPolarHBondContact O-CD1 3.48Å; S172-I176 VanDerWaalsContact O-CG1 3.31Å; S172-I176 WeakPolarHBondContact O-CG1 3.44Å; S172-I176 PolarHBondContact O-N 3.42Å; S172-I176 VanDerWaalsContact O-N 3.1Å; S173-I176 PolarHBondContact O-N 2.68Å; T174-I176 VanDerWaalsContact C-N 3.28Å; T174-I176 PolarHBondContact O-N 2.94Å; I176-Y203 WeakPolarHBondContact O-CE2 3.49Å; I176-Y203 PolarHBondContact O-OH 2.69Å; I176-F206 HydrophobicContact CG2-CE1 4.49Å; I176-F210 HydrophobicContact CD1-CB 3.73Å; I176-F210 HydrophobicContact CG1-CB 4.3Å; I176-S211 WeakPolarHBondContact CG2-OG 3.19Å |
| 177 | S | 94.1 | Very high | 89.9 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 5% | 0.049 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -79.6 | -16.6 | -174.2 | 71.2 | 0 | 0 | 0 | 0 | 115.4 | A123 S173 T174 P180 | A123-S177 WeakPolarHBondContact O-CB 3.35Å; S173-S177 WeakPolarHBondContact O-CB 3.5Å; S173-S177 PolarHBondContact O-N 3.33Å; S173-S177 PolarHBondContact O-OG 3.43Å; T174-S177 PolarHBondContact O-N 3.03Å; T174-S177 PolarHBondContact O-OG 3.42Å; S177-P180 WeakPolarHBondContact O-CD 3.5Å |
| 178 | V | 91.7 | Very high | 88.4 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 30% | 0.303 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -18 | -176.5 | 78.2 | 0 | 0 | 0 | 0 | 113.6 | T174 L181 L182 | T174-V178 WeakPolarHBondContact O-CB 3.19Å; T174-V178 PolarHBondContact O-N 2.9Å; T174-V178 VanDerWaalsContact O-N 3.12Å; V178-L181 HydrophobicContact CG2-CB 4.36Å; V178-L181 HydrophobicContact CG2-CD1 4.38Å; V178-L181 WeakPolarHBondContact O-CA 3.32Å; V178-L181 WeakPolarHBondContact O-CB 3.29Å; V178-L181 PolarHBondContact O-N 2.68Å; V178-L182 HydrophobicContact CG1-CD1 4.09Å; V178-L182 HydrophobicContact CG2-CD1 4.45Å; V178-L182 HydrophobicContact CG2-CG 4.25Å; V178-L182 PolarHBondContact O-N 2.96Å |
| 179 | G | 88.7 | Confident | 86.9 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 9% | 0.093 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -46.7 | -51.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L181 L182 W184 | G179-L181 VanDerWaalsContact C-N 3.26Å; G179-L181 PolarHBondContact O-N 3.42Å; G179-L182 PolarHBondContact O-N 3.27Å; G179-L182 VanDerWaalsContact O-N 3.11Å; G179-W184 WeakPolarHBondContact O-CB 3.45Å; G179-W184 PolarHBondContact O-N 3.31Å; G179-W184 VanDerWaalsContact O-N 3.14Å |
| 180 | P | 86.7 | Confident | 85 | Confident | 15 Ų | 15 | 68.9 Ų | 68.9 | 10% | 0.097 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -67.3 | -26.2 | -179.2 | -21.9 | 36.5 | 0 | 0 | 0 | 113.2 | S177 L182 G183 K185 T198 Y203 | S177-P180 WeakPolarHBondContact O-CD 3.5Å; P180-L182 VanDerWaalsContact C-N 3.32Å; P180-G183 PolarHBondContact O-N 2.75Å; P180-K185 HydrophobicContact CB-CB 4.29Å; P180-T198 HydrophobicContact CB-CG2 3.93Å; P180-T198 HydrophobicContact CG-CG2 3.58Å; P180-Y203 VanDerWaalsContact CD-CE2 3.48Å; P180-Y203 VanDerWaalsContact CD-CZ 3.4Å; P180-Y203 WeakPolarHBondContact CD-OH 3.27Å; P180-Y203 HydrophobicContact CG-CD1 4.08Å; P180-Y203 HydrophobicContact CG-CD2 4.35Å; P180-Y203 HydrophobicContact CG-CE1 3.5Å; P180-Y203 VanDerWaalsContact CG-CE1 3.5Å; P180-Y203 HydrophobicContact CG-CE2 3.84Å; P180-Y203 HydrophobicContact CG-CG 4.44Å; P180-Y203 WeakPolarHBondContact CG-OH 3.25Å |
| 181 | L | 86.3 | Confident | 83.2 | Confident | 86 Ų | 86 | 70.5 Ų | 70.5 | 45% | 0.45 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -72.7 | -26.4 | 175.8 | -60.6 | 179.4 | 0 | 0 | 0 | 112.2 | N119 A123 V178 G179 G183 | N119-L181 HydrophobicContact CB-CD2 3.87Å; A123-L181 HydrophobicContact CB-CD1 3.79Å; A123-L181 HydrophobicContact CB-CD2 4.14Å; A123-L181 HydrophobicContact CB-CG 3.92Å; V178-L181 HydrophobicContact CG2-CB 4.36Å; V178-L181 HydrophobicContact CG2-CD1 4.38Å; V178-L181 WeakPolarHBondContact O-CA 3.32Å; V178-L181 WeakPolarHBondContact O-CB 3.29Å; V178-L181 PolarHBondContact O-N 2.68Å; G179-L181 VanDerWaalsContact C-N 3.26Å; G179-L181 PolarHBondContact O-N 3.42Å; L181-G183 VanDerWaalsContact C-N 3.27Å |
| 182 | L | 87.1 | Confident | 81.5 | Confident | 142 Ų | 142 | 71 Ų | 71 | 74% | 0.743 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -87 | 6.4 | 176.2 | -61.1 | 177.9 | 0 | 0 | 0 | 113.2 | V178 G179 P180 | V178-L182 HydrophobicContact CG1-CD1 4.09Å; V178-L182 HydrophobicContact CG2-CD1 4.45Å; V178-L182 HydrophobicContact CG2-CG 4.25Å; V178-L182 PolarHBondContact O-N 2.96Å; G179-L182 PolarHBondContact O-N 3.27Å; G179-L182 VanDerWaalsContact O-N 3.11Å; P180-L182 VanDerWaalsContact C-N 3.32Å |
| 183 | G | 80.8 | Confident | 80.1 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 54% | 0.536 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 8.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P180 L181 K185 | P180-G183 PolarHBondContact O-N 2.75Å; L181-G183 VanDerWaalsContact C-N 3.27Å; G183-K185 PolarHBondContact O-N 3.14Å |
| 184 | W | 82.9 | Confident | 79.2 | Confident | 111 Ų | 111 | 76 Ų | 76 | 42% | 0.42 | 42% | 0.422 | S | S | . | . | trans | -80.9 | 64.7 | 169.2 | -162.7 | 3.8 | 0 | 0 | 0 | 110.4 | G179 G202 Y203 F206 | G179-W184 WeakPolarHBondContact O-CB 3.45Å; G179-W184 PolarHBondContact O-N 3.31Å; G179-W184 VanDerWaalsContact O-N 3.14Å; W184-G202 VanDerWaalsContact CZ2-C 3.43Å; W184-Y203 HydrophobicContact CD2-CD2 4.15Å; W184-Y203 AromaticContact CE3-CD2 3.93Å; W184-Y203 HydrophobicContact CE3-CD2 3.93Å; W184-Y203 HydrophobicContact CZ3-CD2 4.38Å; W184-F206 HydrophobicContact CH2-CB 3.82Å; W184-F206 HydrophobicContact CH2-CD1 4.22Å; W184-F206 HydrophobicContact CH2-CD2 4.41Å; W184-F206 AromaticContact CH2-CG 3.9Å; W184-F206 HydrophobicContact CH2-CG 3.9Å; W184-F206 HydrophobicContact CZ3-CB 4.39Å; W184-F206 AromaticContact CZ3-CD1 3.95Å; W184-F206 HydrophobicContact CZ3-CD1 3.95Å; W184-F206 HydrophobicContact CZ3-CE1 4.42Å; W184-F206 HydrophobicContact CZ3-CG 4.09Å | ||
| 185 | K | 80.1 | Confident | 78.6 | Confident | 71 Ų | 71 | 73.2 Ų | 73.2 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -151.3 | 161.9 | -179 | 62.9 | 168.4 | -178.4 | 167.9 | 0 | 110.8 | N119 P180 G183 T198 | N119-K185 PolarHBondContact OD1-NZ 2.92Å; P180-K185 HydrophobicContact CB-CB 4.29Å; G183-K185 PolarHBondContact O-N 3.14Å; K185-T198 WeakPolarHBondContact CA-OG1 3.2Å; K185-T198 HydrophobicContact CB-CG2 4.43Å |
| 186 | E | 75.5 | Confident | 77.9 | Confident | 83 Ų | 83 | 71 Ų | 71 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -58 | 152.1 | 175.7 | -80.8 | 152 | -110 | 0 | 0 | 111.3 | E199 E200 | E186-E199 WeakPolarHBondContact OE1-CA 3.42Å; E186-E199 WeakPolarHBondContact OE1-CB 3.47Å; E186-E199 PolarHBondContact OE1-N 3.3Å; E186-E200 VanDerWaalsContact CA-OE1 3.29Å; E186-E200 WeakPolarHBondContact CA-OE1 3.43Å; E186-E200 HydrophobicContact CB-CG 4.42Å; E186-E200 HydrophobicContact CG-CG 3.86Å; E186-E200 WeakPolarHBondContact CG-OE1 3.48Å; E186-E200 PolarHBondContact OE1-N 3.05Å |
| 187 | P | 71.6 | Confident | 77.4 | Confident | 110 Ų | 110 | 71.9 Ų | 71.9 | 71% | 0.714 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 139.7 | 169.4 | 24.7 | -32.5 | 0 | 0 | 0 | 109.8 | ||
| 188 | P | 64.4 | Low | 76.8 | Confident | 89 Ų | 89 | 72.4 Ų | 72.4 | 58% | 0.578 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 137.9 | -174.4 | 25.1 | -33 | 0 | 0 | 0 | 110.7 | ||
| 189 | P | 63.9 | Low | 76.3 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 48% | 0.481 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 152.7 | 174.8 | 24.2 | -32 | 0 | 0 | 0 | 111 | R115 H191 | R115-P189 PolarHBondContact NH1-O 2.94Å; P189-H191 PolarHBondContact O-N 2.99Å; P189-H191 VanDerWaalsContact O-N 3.08Å |
| 190 | E | 57.2 | Low | 76.2 | Confident | 185 Ų | 185 | 74.5 Ų | 74.5 | 86% | 0.864 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -61 | -18 | 179.5 | -66.6 | -173.3 | 169.1 | 0 | 0 | 113.1 | ||
| 191 | H | 61.1 | Low | 76.2 | Confident | 103 Ų | 103 | 76 Ų | 76 | 48% | 0.477 | 42% | 0.422 | S | S | . | . | trans | -114.3 | 127.3 | 179.4 | -60 | -31.4 | 0 | 0 | 0 | 111.6 | P189 T193 | P189-H191 PolarHBondContact O-N 2.99Å; P189-H191 VanDerWaalsContact O-N 3.08Å; H191-T193 PolarHBondContact O-N 3.35Å | ||
| 192 | E | 61.8 | Low | 76.3 | Confident | 91 Ų | 91 | 73.6 Ų | 73.6 | 43% | 0.425 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -7.2 | 179.7 | -48.5 | -152.6 | 151.6 | 0 | 0 | 114.2 | R115 V194 | R115-E192 IonicContact CZ-OE1 2.62Å; R115-E192 VanDerWaalsContact NE-CD 3.32Å; R115-E192 IonicContact NE-OE1 3.02Å; R115-E192 PolarHBondContact NE-OE1 3.17Å; R115-E192 VanDerWaalsContact NH2-CG 3.32Å; R115-E192 IonicContact NH2-OE1 3.85Å; R115-E192 PolarHBondContact NH2-OE1 3Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 3.19Å |
| 193 | T | 67.4 | Low | 76.5 | Confident | 43 Ų | 43 | 66.9 Ų | 66.9 | 26% | 0.264 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7.2 | -172 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | K35 W111 H191 | K35-T193 HydrophobicContact CB-CG2 4.28Å; W111-T193 PolarHBondContact N-O 3.5Å; H191-T193 PolarHBondContact O-N 3.35Å |
| 194 | V | 76.8 | Confident | 76.9 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 61% | 0.612 | 36% | 0.357 | S | S | * | . | trans | -106 | 122.4 | 179.2 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | E192 | E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 3.19Å | ||
| 195 | C | 82.8 | Confident | 77.3 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | trans | -126.6 | 128.5 | 173.2 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | L105 W111 C118 W121 | L105-C195 WeakPolarHBondContact CD2-O 3.49Å; W111-C195 HydrophobicContact CB-CB 3.67Å; W111-C195 HydrophobicContact CD2-CB 3.42Å; W111-C195 VanDerWaalsContact CD2-CB 3.42Å; W111-C195 HydrophobicContact CE3-CB 3.68Å; W111-C195 HydrophobicContact CG-CB 3.44Å; W111-C195 VanDerWaalsContact CG-CB 3.44Å; W111-C195 HydrophobicContact CZ3-CB 4.41Å; C118-C195 WeakPolarHBondContact CA-SG 3.45Å; C118-C195 HydrophobicContact CB-CB 3.9Å; C118-C195 WeakPolarHBondContact CB-SG 3.29Å; C118-C195 WeakPolarHBondContact SG-CA 3.09Å; C118-C195 WeakPolarHBondContact SG-CB 3.03Å; C118-C195 CovalentContact SG-SG 2.03Å; C118-C195 PolarHBondContact SG-SG 3.47Å; W121-C195 VanDerWaalsContact CE3-SG 3.54Å | ||
| 196 | G | 80.8 | Confident | 77.9 | Confident | 45 Ų | 45 | 63 Ų | 63 | 46% | 0.464 | 36% | 0.357 | S | S | . | . | trans | -154 | 165.5 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 197 | I | 83.4 | Confident | 78.7 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 16% | 0.159 | 34% | 0.342 | C | S | . | . | trans | -67 | 139.7 | 168.9 | -57.9 | 174.6 | 0 | 0 | 0 | 107.5 | D125 V126 E199 F312 F336 | D125-I197 WeakPolarHBondContact OD2-CD1 3.26Å; V126-I197 HydrophobicContact CG2-CG2 4.41Å; I197-E199 PolarHBondContact O-N 3.28Å; I197-F312 HydrophobicContact CD1-CZ 4.1Å; I197-F336 HydrophobicContact CD1-CE2 3.73Å; I197-F336 HydrophobicContact CD1-CZ 4.32Å | ||
| 198 | T | 81.8 | Confident | 79.8 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | trans | -61.5 | 133.4 | 178.8 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | P180 K185 E200 Y203 | P180-T198 HydrophobicContact CB-CG2 3.93Å; P180-T198 HydrophobicContact CG-CG2 3.58Å; K185-T198 WeakPolarHBondContact CA-OG1 3.2Å; K185-T198 HydrophobicContact CB-CG2 4.43Å; T198-E200 PolarHBondContact OG1-N 3.3Å; T198-Y203 HydrophobicContact CG2-CD1 3.33Å; T198-Y203 HydrophobicContact CG2-CE1 3.58Å; T198-Y203 HydrophobicContact CG2-CG 4.22Å | ||
| 199 | E | 80.4 | Confident | 81.2 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | trans | -102.8 | 18.8 | 177.6 | -61.9 | -175.2 | -171 | 0 | 0 | 110.9 | E186 I197 S320 K326 | E186-E199 WeakPolarHBondContact OE1-CA 3.42Å; E186-E199 WeakPolarHBondContact OE1-CB 3.47Å; E186-E199 PolarHBondContact OE1-N 3.3Å; I197-E199 PolarHBondContact O-N 3.28Å; E199-S320 VanDerWaalsContact O-CB 3.26Å; E199-S320 WeakPolarHBondContact O-CB 3.16Å; E199-S320 PolarHBondContact O-OG 3.49Å; E199-K326 IonicContact OE1-NZ 2.69Å; E199-K326 PolarHBondContact OE1-NZ 2.78Å; E199-K326 IonicContact OE2-NZ 2.8Å; E199-K326 PolarHBondContact OE2-NZ 3.08Å | ||
| 200 | E | 86.9 | Confident | 82.7 | Confident | 52 Ų | 52 | 54.1 Ų | 54.1 | 24% | 0.243 | 29% | 0.294 | C | S | . | . | trans | -57.2 | 123.5 | 175.3 | -90.4 | -62.3 | 147.6 | 0 | 0 | 109.9 | E186 T198 G202 Y203 A204 | E186-E200 VanDerWaalsContact CA-OE1 3.29Å; E186-E200 WeakPolarHBondContact CA-OE1 3.43Å; E186-E200 HydrophobicContact CB-CG 4.42Å; E186-E200 HydrophobicContact CG-CG 3.86Å; E186-E200 WeakPolarHBondContact CG-OE1 3.48Å; E186-E200 PolarHBondContact OE1-N 3.05Å; T198-E200 PolarHBondContact OG1-N 3.3Å; E200-G202 VanDerWaalsContact C-N 3.29Å; E200-G202 PolarHBondContact O-N 3.06Å; E200-Y203 PolarHBondContact O-N 2.8Å; E200-Y203 VanDerWaalsContact O-N 3.08Å; E200-A204 VanDerWaalsContact O-CB 3.28Å; E200-A204 WeakPolarHBondContact O-CB 3.26Å; E200-A204 PolarHBondContact O-N 3.41Å | ||
| 201 | P | 86.5 | Confident | 84.4 | Confident | 48 Ų | 48 | 45.4 Ų | 45.4 | 31% | 0.312 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.2 | -38.2 | -171 | 19.9 | -32 | 0 | 0 | 0 | 113.8 | L205 S320 F321 | P201-L205 VanDerWaalsContact O-CB 3.26Å; P201-L205 WeakPolarHBondContact O-CB 3.49Å; P201-L205 PolarHBondContact O-N 3.3Å; P201-L205 VanDerWaalsContact O-N 3.09Å; P201-S320 WeakPolarHBondContact CA-OG 3.01Å; P201-S320 WeakPolarHBondContact CB-OG 3.36Å; P201-F321 HydrophobicContact CB-CD1 4.03Å; P201-F321 HydrophobicContact CB-CE1 3.71Å; P201-F321 HydrophobicContact CB-CE2 4.49Å; P201-F321 HydrophobicContact CB-CZ 3.94Å |
| 202 | G | 89.3 | Confident | 86 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W184 E200 F206 | W184-G202 VanDerWaalsContact CZ2-C 3.43Å; E200-G202 VanDerWaalsContact C-N 3.29Å; E200-G202 PolarHBondContact O-N 3.06Å; G202-F206 VanDerWaalsContact O-CB 3.28Å; G202-F206 WeakPolarHBondContact O-CB 3.26Å; G202-F206 PolarHBondContact O-N 2.76Å |
| 203 | Y | 90.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.3 | -41.1 | -178 | 176.8 | -97.5 | 0 | 0 | 0 | 112.2 | I176 P180 W184 T198 E200 L205 F206 S207 | I176-Y203 WeakPolarHBondContact O-CE2 3.49Å; I176-Y203 PolarHBondContact O-OH 2.69Å; P180-Y203 VanDerWaalsContact CD-CE2 3.48Å; P180-Y203 VanDerWaalsContact CD-CZ 3.4Å; P180-Y203 WeakPolarHBondContact CD-OH 3.27Å; P180-Y203 HydrophobicContact CG-CD1 4.08Å; P180-Y203 HydrophobicContact CG-CD2 4.35Å; P180-Y203 HydrophobicContact CG-CE1 3.5Å; P180-Y203 VanDerWaalsContact CG-CE1 3.5Å; P180-Y203 HydrophobicContact CG-CE2 3.84Å; P180-Y203 HydrophobicContact CG-CG 4.44Å; P180-Y203 WeakPolarHBondContact CG-OH 3.25Å; W184-Y203 HydrophobicContact CD2-CD2 4.15Å; W184-Y203 AromaticContact CE3-CD2 3.93Å; W184-Y203 HydrophobicContact CE3-CD2 3.93Å; W184-Y203 HydrophobicContact CZ3-CD2 4.38Å; T198-Y203 HydrophobicContact CG2-CD1 3.33Å; T198-Y203 HydrophobicContact CG2-CE1 3.58Å; T198-Y203 HydrophobicContact CG2-CG 4.22Å; E200-Y203 PolarHBondContact O-N 2.8Å; E200-Y203 VanDerWaalsContact O-N 3.08Å; Y203-L205 VanDerWaalsContact C-N 3.31Å; Y203-L205 PolarHBondContact O-N 3.28Å; Y203-F206 PolarHBondContact O-N 2.87Å; Y203-S207 VanDerWaalsContact O-CB 3.29Å; Y203-S207 WeakPolarHBondContact O-CB 3.16Å; Y203-S207 PolarHBondContact O-N 3.01Å; Y203-S207 PolarHBondContact O-OG 3.49Å |
| 204 | A | 90.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | E200 S207 S208 | E200-A204 VanDerWaalsContact O-CB 3.28Å; E200-A204 WeakPolarHBondContact O-CB 3.26Å; E200-A204 PolarHBondContact O-N 3.41Å; A204-S207 PolarHBondContact O-OG 3.45Å; A204-S208 WeakPolarHBondContact O-CB 3.39Å; A204-S208 PolarHBondContact O-N 3.29Å; A204-S208 PolarHBondContact O-OG 3Å |
| 205 | L | 91.6 | Very high | 89.8 | Confident | 83 Ų | 83 | 37.1 Ų | 37.1 | 44% | 0.435 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.7 | -48 | 173.9 | -176.1 | 61.4 | 0 | 0 | 0 | 112.2 | P201 Y203 S208 L209 F321 | P201-L205 VanDerWaalsContact O-CB 3.26Å; P201-L205 WeakPolarHBondContact O-CB 3.49Å; P201-L205 PolarHBondContact O-N 3.3Å; P201-L205 VanDerWaalsContact O-N 3.09Å; Y203-L205 VanDerWaalsContact C-N 3.31Å; Y203-L205 PolarHBondContact O-N 3.28Å; L205-S208 PolarHBondContact O-OG 2.8Å; L205-S208 VanDerWaalsContact O-OG 3.06Å; L205-L209 VanDerWaalsContact O-CB 3.24Å; L205-L209 WeakPolarHBondContact O-CB 3.23Å; L205-L209 PolarHBondContact O-N 3.45Å; L205-F321 HydrophobicContact CB-CE2 3.99Å; L205-F321 HydrophobicContact CB-CZ 4.07Å; L205-F321 HydrophobicContact CD1-CE2 4.39Å; L205-F321 HydrophobicContact CD2-CE2 4.23Å; L205-F321 HydrophobicContact CD2-CZ 3.92Å; L205-F321 HydrophobicContact CG-CE2 4.43Å; L205-F321 HydrophobicContact CG-CZ 4.5Å |
| 206 | F | 92.9 | Very high | 90.4 | Very high | 68 Ų | 68 | 37.4 Ų | 37.4 | 30% | 0.298 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.5 | -51.3 | -179.7 | 171.9 | -98 | 0 | 0 | 0 | 111.8 | I176 W184 G202 Y203 L209 F210 | I176-F206 HydrophobicContact CG2-CE1 4.49Å; W184-F206 HydrophobicContact CH2-CB 3.82Å; W184-F206 HydrophobicContact CH2-CD1 4.22Å; W184-F206 HydrophobicContact CH2-CD2 4.41Å; W184-F206 AromaticContact CH2-CG 3.9Å; W184-F206 HydrophobicContact CH2-CG 3.9Å; W184-F206 HydrophobicContact CZ3-CB 4.39Å; W184-F206 AromaticContact CZ3-CD1 3.95Å; W184-F206 HydrophobicContact CZ3-CD1 3.95Å; W184-F206 HydrophobicContact CZ3-CE1 4.42Å; W184-F206 HydrophobicContact CZ3-CG 4.09Å; G202-F206 VanDerWaalsContact O-CB 3.28Å; G202-F206 WeakPolarHBondContact O-CB 3.26Å; G202-F206 PolarHBondContact O-N 2.76Å; Y203-F206 PolarHBondContact O-N 2.87Å; F206-L209 PolarHBondContact O-N 3.42Å; F206-F210 AromaticContact CD2-CD2 3.75Å; F206-F210 HydrophobicContact CD2-CD2 3.75Å; F206-F210 AromaticContact CD2-CE2 3.68Å; F206-F210 HydrophobicContact CD2-CE2 3.68Å; F206-F210 AromaticContact CE2-CD2 3.57Å; F206-F210 HydrophobicContact CE2-CD2 3.57Å; F206-F210 AromaticContact CE2-CE2 3.46Å; F206-F210 HydrophobicContact CE2-CE2 3.46Å; F206-F210 VanDerWaalsContact CE2-CE2 3.46Å; F206-F210 HydrophobicContact CG-CD2 4.4Å; F206-F210 HydrophobicContact CZ-CD2 4.09Å; F206-F210 HydrophobicContact CZ-CE2 4.34Å; F206-F210 WeakPolarHBondContact O-CD2 3.48Å; F206-F210 PolarHBondContact O-N 2.96Å |
| 207 | S | 92.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 180 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | Y203 A204 L209 S211 | Y203-S207 VanDerWaalsContact O-CB 3.29Å; Y203-S207 WeakPolarHBondContact O-CB 3.16Å; Y203-S207 PolarHBondContact O-N 3.01Å; Y203-S207 PolarHBondContact O-OG 3.49Å; A204-S207 PolarHBondContact O-OG 3.45Å; S207-L209 PolarHBondContact O-N 3.05Å; S207-S211 WeakPolarHBondContact O-CB 3.47Å; S207-S211 PolarHBondContact O-N 3.49Å; S207-S211 PolarHBondContact O-OG 3.39Å; S207-S211 VanDerWaalsContact O-OG 3.14Å |
| 208 | S | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -37.1 | 177.4 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | A204 L205 F212 Y213 | A204-S208 WeakPolarHBondContact O-CB 3.39Å; A204-S208 PolarHBondContact O-N 3.29Å; A204-S208 PolarHBondContact O-OG 3Å; L205-S208 PolarHBondContact O-OG 2.8Å; L205-S208 VanDerWaalsContact O-OG 3.06Å; S208-F212 WeakPolarHBondContact O-CA 3.38Å; S208-F212 WeakPolarHBondContact O-CB 3.32Å; S208-F212 PolarHBondContact O-N 3.09Å; S208-Y213 WeakPolarHBondContact O-CD2 3.46Å; S208-Y213 PolarHBondContact O-N 3.01Å |
| 209 | L | 94.6 | Very high | 92.3 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 41% | 0.408 | 21% | 0.209 | S | C | . | . | I | π-helix | trans | -62.5 | -51.7 | 178.1 | -177.1 | 65 | 0 | 0 | 0 | 112.2 | L205 F206 S207 Y213 L214 | L205-L209 VanDerWaalsContact O-CB 3.24Å; L205-L209 WeakPolarHBondContact O-CB 3.23Å; L205-L209 PolarHBondContact O-N 3.45Å; F206-L209 PolarHBondContact O-N 3.42Å; S207-L209 PolarHBondContact O-N 3.05Å; L209-Y213 PolarHBondContact O-N 3.39Å; L209-L214 WeakPolarHBondContact O-CB 3.49Å; L209-L214 PolarHBondContact O-N 3.27Å |
| 210 | F | 93.9 | Very high | 93 | Very high | 84 Ų | 84 | 41.7 Ų | 41.7 | 37% | 0.368 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -82.9 | -32.6 | -175.2 | -73.7 | -74.6 | 0 | 0 | 0 | 113.5 | I176 F206 L214 P215 | I176-F210 HydrophobicContact CD1-CB 3.73Å; I176-F210 HydrophobicContact CG1-CB 4.3Å; F206-F210 AromaticContact CD2-CD2 3.75Å; F206-F210 HydrophobicContact CD2-CD2 3.75Å; F206-F210 AromaticContact CD2-CE2 3.68Å; F206-F210 HydrophobicContact CD2-CE2 3.68Å; F206-F210 AromaticContact CE2-CD2 3.57Å; F206-F210 HydrophobicContact CE2-CD2 3.57Å; F206-F210 AromaticContact CE2-CE2 3.46Å; F206-F210 HydrophobicContact CE2-CE2 3.46Å; F206-F210 VanDerWaalsContact CE2-CE2 3.46Å; F206-F210 HydrophobicContact CG-CD2 4.4Å; F206-F210 HydrophobicContact CZ-CD2 4.09Å; F206-F210 HydrophobicContact CZ-CE2 4.34Å; F206-F210 WeakPolarHBondContact O-CD2 3.48Å; F206-F210 PolarHBondContact O-N 2.96Å; F210-L214 HydrophobicContact CD1-CD1 4.5Å; F210-P215 VanDerWaalsContact O-CD 3.23Å; F210-P215 WeakPolarHBondContact O-CD 3.29Å; F210-P215 WeakPolarHBondContact O-CG 3.4Å |
| 211 | S | 93.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -83.6 | -28.6 | 180 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | T130 I133 I176 S207 | T130-S211 WeakPolarHBondContact CG2-OG 3.17Å; T130-S211 WeakPolarHBondContact OG1-CB 3.46Å; T130-S211 PolarHBondContact OG1-OG 3.14Å; I133-S211 WeakPolarHBondContact CB-O 3.36Å; I133-S211 VanDerWaalsContact CD1-O 3.26Å; I133-S211 WeakPolarHBondContact CD1-O 3.23Å; I133-S211 WeakPolarHBondContact CG2-O 3.28Å; I176-S211 WeakPolarHBondContact CG2-OG 3.19Å; S207-S211 WeakPolarHBondContact O-CB 3.47Å; S207-S211 PolarHBondContact O-N 3.49Å; S207-S211 PolarHBondContact O-OG 3.39Å; S207-S211 VanDerWaalsContact O-OG 3.14Å |
| 212 | F | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -126.6 | -60.5 | -174.5 | -175.7 | -103.4 | 0 | 0 | 0 | 114.5 | I133 S208 L214 P215 L216 F305 W309 L310 F313 | I133-F212 HydrophobicContact CD1-CD2 4.34Å; S208-F212 WeakPolarHBondContact O-CA 3.38Å; S208-F212 WeakPolarHBondContact O-CB 3.32Å; S208-F212 PolarHBondContact O-N 3.09Å; F212-L214 PolarHBondContact O-N 3.06Å; F212-P215 WeakPolarHBondContact O-CD 3.49Å; F212-L216 HydrophobicContact CD1-CD2 4.49Å; F212-L216 HydrophobicContact CE1-CD2 3.71Å; F212-L216 HydrophobicContact CZ-CD2 3.81Å; F212-L216 WeakPolarHBondContact O-CB 3.43Å; F212-L216 PolarHBondContact O-N 3.23Å; F212-F305 HydrophobicContact CD2-CE1 4.42Å; F212-F305 HydrophobicContact CD2-CZ 4.04Å; F212-F305 AromaticContact CE2-CE1 3.97Å; F212-F305 HydrophobicContact CE2-CE1 3.97Å; F212-F305 AromaticContact CE2-CZ 3.9Å; F212-F305 HydrophobicContact CE2-CZ 3.9Å; F212-W309 HydrophobicContact CD2-CB 4.19Å; F212-W309 HydrophobicContact CE2-CB 3.62Å; F212-W309 HydrophobicContact CZ-CB 4.42Å; F212-L310 HydrophobicContact CE1-CD1 3.74Å; F212-L310 HydrophobicContact CZ-CB 4.01Å; F212-L310 HydrophobicContact CZ-CD1 3.95Å; F212-F313 HydrophobicContact CB-CB 4.13Å; F212-F313 HydrophobicContact CB-CD1 3.59Å; F212-F313 HydrophobicContact CB-CD2 3.53Å; F212-F313 HydrophobicContact CB-CE1 3.77Å; F212-F313 HydrophobicContact CB-CE2 3.7Å; F212-F313 HydrophobicContact CB-CG 3.46Å; F212-F313 VanDerWaalsContact CB-CG 3.46Å; F212-F313 HydrophobicContact CB-CZ 3.83Å; F212-F313 HydrophobicContact CD1-CB 3.36Å; F212-F313 HydrophobicContact CD1-CD1 4.45Å; F212-F313 AromaticContact CD1-CD2 3.82Å; F212-F313 HydrophobicContact CD1-CD2 3.82Å; F212-F313 AromaticContact CD1-CG 3.64Å; F212-F313 HydrophobicContact CD1-CG 3.64Å; F212-F313 HydrophobicContact CD2-CB 4.39Å; F212-F313 AromaticContact CD2-CD2 3.23Å; F212-F313 HydrophobicContact CD2-CD2 3.23Å; F212-F313 AromaticContact CD2-CE2 3.58Å; F212-F313 HydrophobicContact CD2-CE2 3.58Å; F212-F313 AromaticContact CD2-CG 3.92Å; F212-F313 HydrophobicContact CD2-CG 3.92Å; F212-F313 HydrophobicContact CE1-CB 3.78Å; F212-F313 HydrophobicContact CE1-CD2 4.32Å; F212-F313 HydrophobicContact CE1-CG 4.33Å; F212-F313 AromaticContact CE2-CD2 3.82Å; F212-F313 HydrophobicContact CE2-CD2 3.82Å; F212-F313 HydrophobicContact CE2-CE2 4.4Å; F212-F313 HydrophobicContact CG-CB 3.71Å; F212-F313 HydrophobicContact CG-CD1 4.07Å; F212-F313 AromaticContact CG-CD2 3.23Å; F212-F313 HydrophobicContact CG-CD2 3.23Å; F212-F313 AromaticContact CG-CE2 3.78Å; F212-F313 HydrophobicContact CG-CE2 3.78Å; F212-F313 AromaticContact CG-CG 3.39Å; F212-F313 HydrophobicContact CG-CG 3.39Å; F212-F313 HydrophobicContact CG-CZ 4.4Å; F212-F313 HydrophobicContact CZ-CB 4.45Å; F212-F313 HydrophobicContact CZ-CD2 4.31Å |
| 213 | Y | 95.5 | Very high | 93.6 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -65.3 | -46.5 | -168.6 | -66.9 | -61.4 | 0 | 0 | 0 | 113.6 | S208 L209 L216 M217 F313 | S208-Y213 WeakPolarHBondContact O-CD2 3.46Å; S208-Y213 PolarHBondContact O-N 3.01Å; L209-Y213 PolarHBondContact O-N 3.39Å; Y213-L216 PolarHBondContact O-N 3.18Å; Y213-M217 VanDerWaalsContact O-CG 3.31Å; Y213-M217 WeakPolarHBondContact O-CG 3.42Å; Y213-M217 PolarHBondContact O-N 3.17Å; Y213-F313 PolarHBondContact OH-O 3.24Å |
| 214 | L | 95.7 | Very high | 93.6 | Very high | 88 Ų | 88 | 48.4 Ų | 48.4 | 46% | 0.461 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66 | -49.4 | 177.2 | -177.8 | 161.3 | 0 | 0 | 0 | 111.5 | L209 F210 F212 L216 M217 V218 | L209-L214 WeakPolarHBondContact O-CB 3.49Å; L209-L214 PolarHBondContact O-N 3.27Å; F210-L214 HydrophobicContact CD1-CD1 4.5Å; F212-L214 PolarHBondContact O-N 3.06Å; L214-L216 VanDerWaalsContact C-N 3.3Å; L214-L216 PolarHBondContact O-N 3.42Å; L214-M217 PolarHBondContact O-N 3.47Å; L214-V218 HydrophobicContact CD2-CG2 4.26Å; L214-V218 WeakPolarHBondContact O-CG2 3.36Å; L214-V218 PolarHBondContact O-N 3.41Å |
| 215 | P | 95.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -55.9 | -41.8 | 172.6 | -29.6 | 37.7 | 0 | 0 | 0 | 113.4 | I133 L134 C137 F210 F212 M217 V218 I219 | I133-P215 HydrophobicContact CG2-CB 3.81Å; I133-P215 HydrophobicContact CG2-CG 4.37Å; L134-P215 HydrophobicContact CD2-CB 4.34Å; L134-P215 HydrophobicContact CD2-CG 3.63Å; C137-P215 HydrophobicContact CB-CB 4.15Å; F210-P215 VanDerWaalsContact O-CD 3.23Å; F210-P215 WeakPolarHBondContact O-CD 3.29Å; F210-P215 WeakPolarHBondContact O-CG 3.4Å; F212-P215 WeakPolarHBondContact O-CD 3.49Å; P215-M217 PolarHBondContact O-N 3.06Å; P215-V218 PolarHBondContact O-N 3.49Å; P215-I219 WeakPolarHBondContact O-CB 3.42Å; P215-I219 WeakPolarHBondContact O-CD1 3.45Å; P215-I219 WeakPolarHBondContact O-CG1 3.18Å; P215-I219 PolarHBondContact O-N 3.49Å |
| 216 | L | 95.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 177.2 | 177.1 | 63.2 | 0 | 0 | 0 | 111.4 | F212 Y213 L214 V218 I219 L220 I306 | F212-L216 HydrophobicContact CD1-CD2 4.49Å; F212-L216 HydrophobicContact CE1-CD2 3.71Å; F212-L216 HydrophobicContact CZ-CD2 3.81Å; F212-L216 WeakPolarHBondContact O-CB 3.43Å; F212-L216 PolarHBondContact O-N 3.23Å; Y213-L216 PolarHBondContact O-N 3.18Å; L214-L216 VanDerWaalsContact C-N 3.3Å; L214-L216 PolarHBondContact O-N 3.42Å; L216-V218 VanDerWaalsContact C-N 3.33Å; L216-V218 PolarHBondContact O-N 3.47Å; L216-I219 PolarHBondContact O-N 3.31Å; L216-L220 HydrophobicContact CD1-CD1 4.15Å; L216-L220 HydrophobicContact CD1-CG 4.09Å; L216-L220 HydrophobicContact CG-CD1 4.03Å; L216-L220 HydrophobicContact CG-CG 4.38Å; L216-L220 WeakPolarHBondContact O-CB 3.33Å; L216-L220 VanDerWaalsContact O-CG 3.29Å; L216-L220 WeakPolarHBondContact O-CG 3.45Å; L216-L220 PolarHBondContact O-N 3.39Å; L216-I306 HydrophobicContact CD1-CD1 3.65Å; L216-I306 HydrophobicContact CD1-CG1 3.56Å |
| 217 | M | 95.8 | Very high | 93.2 | Very high | 114 Ų | 114 | 51 Ų | 51 | 56% | 0.562 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -59.6 | -44.6 | 176.5 | -72.9 | -62.3 | -73.7 | 0 | 0 | 111.6 | Y213 L214 P215 L220 I221 | Y213-M217 VanDerWaalsContact O-CG 3.31Å; Y213-M217 WeakPolarHBondContact O-CG 3.42Å; Y213-M217 PolarHBondContact O-N 3.17Å; L214-M217 PolarHBondContact O-N 3.47Å; P215-M217 PolarHBondContact O-N 3.06Å; M217-L220 PolarHBondContact O-N 3.41Å; M217-I221 WeakPolarHBondContact O-CB 3.36Å; M217-I221 WeakPolarHBondContact O-CD1 3.29Å; M217-I221 VanDerWaalsContact O-CG1 3.23Å; M217-I221 WeakPolarHBondContact O-CG1 3.46Å; M217-I221 PolarHBondContact O-N 3.47Å |
| 218 | V | 96.1 | Very high | 93.1 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -47 | 175.8 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | C137 I141 L214 P215 L216 L220 I221 M222 | C137-V218 WeakPolarHBondContact SG-CG1 3.18Å; I141-V218 HydrophobicContact CD1-CG1 4.06Å; I141-V218 HydrophobicContact CG1-CG1 4.2Å; L214-V218 HydrophobicContact CD2-CG2 4.26Å; L214-V218 WeakPolarHBondContact O-CG2 3.36Å; L214-V218 PolarHBondContact O-N 3.41Å; P215-V218 PolarHBondContact O-N 3.49Å; L216-V218 VanDerWaalsContact C-N 3.33Å; L216-V218 PolarHBondContact O-N 3.47Å; V218-L220 PolarHBondContact O-N 3.06Å; V218-I221 PolarHBondContact O-N 3.09Å; V218-M222 HydrophobicContact CG1-CG 4.12Å; V218-M222 WeakPolarHBondContact O-CB 3.47Å; V218-M222 VanDerWaalsContact O-CG 3.25Å; V218-M222 WeakPolarHBondContact O-CG 3.26Å; V218-M222 PolarHBondContact O-N 3.28Å |
| 219 | I | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56 | -54 | 177.3 | -71.4 | 164.5 | 0 | 0 | 0 | 110 | L136 C137 P215 L216 I221 M222 Y223 V302 F305 | L136-I219 HydrophobicContact CB-CD1 4.31Å; C137-I219 HydrophobicContact CB-CD1 4.19Å; C137-I219 HydrophobicContact CB-CG1 4.05Å; P215-I219 WeakPolarHBondContact O-CB 3.42Å; P215-I219 WeakPolarHBondContact O-CD1 3.45Å; P215-I219 WeakPolarHBondContact O-CG1 3.18Å; P215-I219 PolarHBondContact O-N 3.49Å; L216-I219 PolarHBondContact O-N 3.31Å; I219-I221 VanDerWaalsContact C-N 3.33Å; I219-I221 PolarHBondContact O-N 2.89Å; I219-M222 PolarHBondContact O-N 2.86Å; I219-Y223 HydrophobicContact CG2-CD2 3.75Å; I219-Y223 HydrophobicContact CG2-CE2 3.95Å; I219-Y223 VanDerWaalsContact O-CD2 3.28Å; I219-Y223 WeakPolarHBondContact O-CD2 2.88Å; I219-Y223 PolarHBondContact O-N 3.21Å; I219-V302 HydrophobicContact CG2-CB 4.26Å; I219-V302 HydrophobicContact CG2-CG1 3.38Å; I219-V302 HydrophobicContact CG2-CG2 3.83Å; I219-F305 HydrophobicContact CD1-CE1 4.5Å |
| 220 | L | 93.9 | Very high | 92 | Very high | 81 Ų | 81 | 50.3 Ų | 50.3 | 42% | 0.424 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.1 | -45.1 | -178.4 | -69.6 | 175 | 0 | 0 | 0 | 111.8 | L216 M217 V218 Y223 F224 I306 | L216-L220 HydrophobicContact CD1-CD1 4.15Å; L216-L220 HydrophobicContact CD1-CG 4.09Å; L216-L220 HydrophobicContact CG-CD1 4.03Å; L216-L220 HydrophobicContact CG-CG 4.38Å; L216-L220 WeakPolarHBondContact O-CB 3.33Å; L216-L220 VanDerWaalsContact O-CG 3.29Å; L216-L220 WeakPolarHBondContact O-CG 3.45Å; L216-L220 PolarHBondContact O-N 3.39Å; M217-L220 PolarHBondContact O-N 3.41Å; V218-L220 PolarHBondContact O-N 3.06Å; L220-Y223 PolarHBondContact O-N 3.49Å; L220-F224 VanDerWaalsContact O-CB 3.27Å; L220-F224 WeakPolarHBondContact O-CB 3.45Å; L220-F224 PolarHBondContact O-N 3.32Å; L220-I306 HydrophobicContact CD2-CD1 3.88Å |
| 221 | I | 94.6 | Very high | 91.5 | Very high | 84 Ų | 84 | 52.7 Ų | 52.7 | 43% | 0.431 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.2 | -48.3 | 176.6 | -67.1 | 166.7 | 0 | 0 | 0 | 110.5 | M217 V218 I219 Y223 F224 Q225 | M217-I221 WeakPolarHBondContact O-CB 3.36Å; M217-I221 WeakPolarHBondContact O-CD1 3.29Å; M217-I221 VanDerWaalsContact O-CG1 3.23Å; M217-I221 WeakPolarHBondContact O-CG1 3.46Å; M217-I221 PolarHBondContact O-N 3.47Å; V218-I221 PolarHBondContact O-N 3.09Å; I219-I221 VanDerWaalsContact C-N 3.33Å; I219-I221 PolarHBondContact O-N 2.89Å; I221-Y223 PolarHBondContact O-N 3.39Å; I221-F224 PolarHBondContact O-N 3.25Å; I221-Q225 HydrophobicContact CG2-CG 4.34Å; I221-Q225 WeakPolarHBondContact O-CB 3.36Å; I221-Q225 WeakPolarHBondContact O-CG 3.07Å; I221-Q225 PolarHBondContact O-N 3.42Å |
| 222 | M | 92.8 | Very high | 91 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -43.3 | -179.3 | -70.8 | -56.5 | 123.2 | 0 | 0 | 111.9 | I141 Y144 V218 I219 Q225 V226 | I141-M222 HydrophobicContact CG1-CG 3.83Å; I141-M222 HydrophobicContact CG1-SD 4.23Å; Y144-M222 HydrophobicContact CD1-SD 3.94Å; Y144-M222 HydrophobicContact CG-SD 4.01Å; V218-M222 HydrophobicContact CG1-CG 4.12Å; V218-M222 WeakPolarHBondContact O-CB 3.47Å; V218-M222 VanDerWaalsContact O-CG 3.25Å; V218-M222 WeakPolarHBondContact O-CG 3.26Å; V218-M222 PolarHBondContact O-N 3.28Å; I219-M222 PolarHBondContact O-N 2.86Å; M222-Q225 PolarHBondContact O-N 2.88Å; M222-V226 VanDerWaalsContact O-CG2 3.26Å; M222-V226 WeakPolarHBondContact O-CG2 3.13Å; M222-V226 PolarHBondContact O-N 3.25Å |
| 223 | Y | 88.1 | Confident | 90 | Very high | 29 Ų | 29 | 63 Ų | 63 | 11% | 0.114 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.6 | -37.1 | 178.2 | -86.4 | -87.6 | 0 | 0 | 0 | 113 | I219 L220 I221 Q225 V226 Y227 L298 A299 V302 | I219-Y223 HydrophobicContact CG2-CD2 3.75Å; I219-Y223 HydrophobicContact CG2-CE2 3.95Å; I219-Y223 VanDerWaalsContact O-CD2 3.28Å; I219-Y223 WeakPolarHBondContact O-CD2 2.88Å; I219-Y223 PolarHBondContact O-N 3.21Å; L220-Y223 PolarHBondContact O-N 3.49Å; I221-Y223 PolarHBondContact O-N 3.39Å; Y223-Q225 VanDerWaalsContact C-N 3.3Å; Y223-Q225 PolarHBondContact O-N 3.27Å; Y223-V226 PolarHBondContact O-N 3.47Å; Y223-Y227 WeakPolarHBondContact O-CB 3.31Å; Y223-Y227 PolarHBondContact O-N 3.48Å; Y223-L298 HydrophobicContact CE1-CB 4.28Å; Y223-L298 VanDerWaalsContact OH-C 3.24Å; Y223-L298 VanDerWaalsContact OH-CB 3.27Å; Y223-L298 WeakPolarHBondContact OH-CB 3.21Å; Y223-L298 PolarHBondContact OH-O 3.42Å; Y223-A299 HydrophobicContact CD1-CB 4.09Å; Y223-A299 HydrophobicContact CE1-CB 4.01Å; Y223-V302 HydrophobicContact CD2-CG1 4.37Å; Y223-V302 HydrophobicContact CD2-CG2 4.19Å; Y223-V302 HydrophobicContact CE1-CG2 4.48Å; Y223-V302 HydrophobicContact CE2-CB 4.1Å; Y223-V302 HydrophobicContact CE2-CG1 4.35Å; Y223-V302 HydrophobicContact CE2-CG2 3.37Å; Y223-V302 VanDerWaalsContact OH-CG2 3.29Å; Y223-V302 WeakPolarHBondContact OH-CG2 3.5Å |
| 224 | F | 90.3 | Very high | 89 | Confident | 124 Ų | 124 | 60.7 Ų | 60.7 | 54% | 0.544 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 171.6 | -179.1 | -110.7 | 0 | 0 | 0 | 111 | L220 I221 Y227 I228 | L220-F224 VanDerWaalsContact O-CB 3.27Å; L220-F224 WeakPolarHBondContact O-CB 3.45Å; L220-F224 PolarHBondContact O-N 3.32Å; I221-F224 PolarHBondContact O-N 3.25Å; F224-Y227 WeakPolarHBondContact O-CB 3.28Å; F224-Y227 PolarHBondContact O-N 3.25Å; F224-I228 HydrophobicContact CD1-CD1 3.82Å; F224-I228 HydrophobicContact CE1-CD1 3.31Å; F224-I228 HydrophobicContact CE1-CG1 4.33Å; F224-I228 HydrophobicContact CE2-CD1 4.25Å; F224-I228 HydrophobicContact CG-CD1 4.49Å; F224-I228 HydrophobicContact CZ-CD1 3.56Å; F224-I228 HydrophobicContact CZ-CG1 4.29Å; F224-I228 WeakPolarHBondContact O-CG1 3.38Å; F224-I228 PolarHBondContact O-N 3.14Å |
| 225 | Q | 91.3 | Very high | 88.2 | Confident | 68 Ų | 68 | 62.3 Ų | 62.3 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 175.5 | -66.7 | -72.5 | 3.6 | 0 | 0 | 112.2 | Y144 I221 M222 Y223 Y227 I228 V229 | Y144-Q225 HydrophobicContact CD2-CB 3.77Å; Y144-Q225 HydrophobicContact CE2-CB 3.55Å; Y144-Q225 HydrophobicContact CE2-CG 4.45Å; I221-Q225 HydrophobicContact CG2-CG 4.34Å; I221-Q225 WeakPolarHBondContact O-CB 3.36Å; I221-Q225 WeakPolarHBondContact O-CG 3.07Å; I221-Q225 PolarHBondContact O-N 3.42Å; M222-Q225 PolarHBondContact O-N 2.88Å; Y223-Q225 VanDerWaalsContact C-N 3.3Å; Y223-Q225 PolarHBondContact O-N 3.27Å; Q225-Y227 VanDerWaalsContact C-N 3.33Å; Q225-Y227 PolarHBondContact O-N 3.08Å; Q225-I228 PolarHBondContact O-N 2.82Å; Q225-V229 WeakPolarHBondContact O-CB 3.22Å; Q225-V229 VanDerWaalsContact O-CG2 3.28Å; Q225-V229 WeakPolarHBondContact O-CG2 3.13Å; Q225-V229 PolarHBondContact O-N 2.85Å |
| 226 | V | 88.8 | Confident | 87.1 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.6 | -46.3 | 172.7 | 168 | 0 | 0 | 0 | 0 | 110.7 | Y144 V147 M222 Y223 V229 A230 A295 | Y144-V226 HydrophobicContact CD2-CG2 4.22Å; V147-V226 HydrophobicContact CG2-CG1 4.27Å; M222-V226 VanDerWaalsContact O-CG2 3.26Å; M222-V226 WeakPolarHBondContact O-CG2 3.13Å; M222-V226 PolarHBondContact O-N 3.25Å; Y223-V226 PolarHBondContact O-N 3.47Å; V226-V229 PolarHBondContact O-N 3.24Å; V226-A230 WeakPolarHBondContact O-CB 3.32Å; V226-A230 PolarHBondContact O-N 2.98Å; V226-A295 HydrophobicContact CG1-CB 3.85Å |
| 227 | Y | 87.6 | Confident | 85.8 | Confident | 131 Ų | 131 | 66.7 Ų | 66.7 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 177.7 | 172 | -97.4 | 0 | 0 | 0 | 111.6 | Y223 F224 Q225 A230 R231 | Y223-Y227 WeakPolarHBondContact O-CB 3.31Å; Y223-Y227 PolarHBondContact O-N 3.48Å; F224-Y227 WeakPolarHBondContact O-CB 3.28Å; F224-Y227 PolarHBondContact O-N 3.25Å; Q225-Y227 VanDerWaalsContact C-N 3.33Å; Q225-Y227 PolarHBondContact O-N 3.08Å; Y227-A230 PolarHBondContact O-N 3.22Å; Y227-R231 WeakPolarHBondContact O-CB 3.26Å; Y227-R231 PolarHBondContact O-N 2.97Å |
| 228 | I | 88.7 | Confident | 84.6 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 18% | 0.179 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.1 | -51.2 | 177.4 | -73 | 177.2 | 0 | 0 | 0 | 110.7 | F224 Q225 A230 R231 R232 | F224-I228 HydrophobicContact CD1-CD1 3.82Å; F224-I228 HydrophobicContact CE1-CD1 3.31Å; F224-I228 HydrophobicContact CE1-CG1 4.33Å; F224-I228 HydrophobicContact CE2-CD1 4.25Å; F224-I228 HydrophobicContact CG-CD1 4.49Å; F224-I228 HydrophobicContact CZ-CD1 3.56Å; F224-I228 HydrophobicContact CZ-CG1 4.29Å; F224-I228 WeakPolarHBondContact O-CG1 3.38Å; F224-I228 PolarHBondContact O-N 3.14Å; Q225-I228 PolarHBondContact O-N 2.82Å; I228-A230 VanDerWaalsContact C-N 3.34Å; I228-A230 PolarHBondContact O-N 3.38Å; I228-R231 PolarHBondContact O-N 2.64Å; I228-R232 HydrophobicContact CG2-CG 4.24Å; I228-R232 VanDerWaalsContact CG2-CZ 3.43Å; I228-R232 VanDerWaalsContact CG2-NE 3.35Å; I228-R232 WeakPolarHBondContact O-CB 3.35Å; I228-R232 WeakPolarHBondContact O-CG 3.47Å; I228-R232 PolarHBondContact O-N 2.98Å |
| 229 | V | 85.7 | Confident | 83.1 | Confident | 23 Ų | 23 | 70 Ų | 70 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | -179.2 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | Y144 V147 K148 Q225 V226 R231 R232 T233 | Y144-V229 HydrophobicContact CE2-CG2 4.42Å; V147-V229 HydrophobicContact CG1-CG1 4.02Å; K148-V229 HydrophobicContact CB-CG1 4.4Å; Q225-V229 WeakPolarHBondContact O-CB 3.22Å; Q225-V229 VanDerWaalsContact O-CG2 3.28Å; Q225-V229 WeakPolarHBondContact O-CG2 3.13Å; Q225-V229 PolarHBondContact O-N 2.85Å; V226-V229 PolarHBondContact O-N 3.24Å; V229-R231 VanDerWaalsContact C-N 3.33Å; V229-R231 PolarHBondContact O-N 3.11Å; V229-R232 PolarHBondContact O-N 3.42Å; V229-T233 PolarHBondContact O-N 3.35Å; V229-T233 PolarHBondContact O-OG1 3.05Å |
| 230 | A | 81.1 | Confident | 81.4 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V226 Y227 I228 T234 | V226-A230 WeakPolarHBondContact O-CB 3.32Å; V226-A230 PolarHBondContact O-N 2.98Å; Y227-A230 PolarHBondContact O-N 3.22Å; I228-A230 VanDerWaalsContact C-N 3.34Å; I228-A230 PolarHBondContact O-N 3.38Å; A230-T234 WeakPolarHBondContact O-CB 3.42Å; A230-T234 PolarHBondContact O-N 2.96Å; A230-T234 PolarHBondContact O-OG1 3.31Å |
| 231 | R | 83.5 | Confident | 79.4 | Confident | 134 Ų | 134 | 68.9 Ų | 68.9 | 51% | 0.506 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.9 | -42.9 | 178.9 | -165.8 | 177.9 | -174.3 | -168.7 | -0 | 111.9 | Y227 I228 V229 T234 K235 | Y227-R231 WeakPolarHBondContact O-CB 3.26Å; Y227-R231 PolarHBondContact O-N 2.97Å; I228-R231 PolarHBondContact O-N 2.64Å; V229-R231 VanDerWaalsContact C-N 3.33Å; V229-R231 PolarHBondContact O-N 3.11Å; R231-T234 PolarHBondContact O-N 2.82Å; R231-K235 WeakPolarHBondContact O-CG 3.41Å; R231-K235 PolarHBondContact O-N 3.49Å |
| 232 | R | 82.3 | Confident | 77.2 | Confident | 174 Ų | 174 | 72.7 Ų | 72.7 | 66% | 0.657 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.7 | -47 | 176.5 | -76.3 | -179.7 | -176.4 | 169.4 | 4.4 | 111.4 | I228 V229 K235 S236 | I228-R232 HydrophobicContact CG2-CG 4.24Å; I228-R232 VanDerWaalsContact CG2-CZ 3.43Å; I228-R232 VanDerWaalsContact CG2-NE 3.35Å; I228-R232 WeakPolarHBondContact O-CB 3.35Å; I228-R232 WeakPolarHBondContact O-CG 3.47Å; I228-R232 PolarHBondContact O-N 2.98Å; V229-R232 PolarHBondContact O-N 3.42Å; R232-K235 PolarHBondContact O-N 3.09Å; R232-S236 WeakPolarHBondContact O-CB 3.45Å; R232-S236 PolarHBondContact O-N 3.26Å |
| 233 | T | 72.7 | Confident | 74.8 | Confident | 44 Ų | 44 | 80.1 Ų | 80.1 | 27% | 0.27 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 178.3 | -51.5 | 0 | 0 | 0 | 0 | 111.6 | V229 S236 L237 F288 | V229-T233 PolarHBondContact O-N 3.35Å; V229-T233 PolarHBondContact O-OG1 3.05Å; T233-S236 PolarHBondContact O-N 3.49Å; T233-L237 HydrophobicContact CG2-CD1 4.08Å; T233-L237 HydrophobicContact CG2-CG 4.43Å; T233-L237 WeakPolarHBondContact O-CB 3.44Å; T233-L237 WeakPolarHBondContact O-CG 3.04Å; T233-L237 PolarHBondContact O-N 3.35Å; T233-F288 HydrophobicContact CG2-CD1 3.85Å; T233-F288 HydrophobicContact CG2-CD2 4.06Å; T233-F288 HydrophobicContact CG2-CE1 3.42Å; T233-F288 VanDerWaalsContact CG2-CE1 3.42Å; T233-F288 HydrophobicContact CG2-CE2 3.66Å; T233-F288 HydrophobicContact CG2-CG 4.17Å; T233-F288 HydrophobicContact CG2-CZ 3.33Å |
| 234 | T | 76.1 | Confident | 72.5 | Confident | 28 Ų | 28 | 87.3 Ų | 87.3 | 17% | 0.172 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 175.3 | -53.3 | 0 | 0 | 0 | 0 | 111 | A230 R231 S236 L237 E238 K292 | A230-T234 WeakPolarHBondContact O-CB 3.42Å; A230-T234 PolarHBondContact O-N 2.96Å; A230-T234 PolarHBondContact O-OG1 3.31Å; R231-T234 PolarHBondContact O-N 2.82Å; T234-S236 PolarHBondContact O-N 3.05Å; T234-L237 PolarHBondContact O-N 2.89Å; T234-E238 WeakPolarHBondContact CG2-OE1 3Å; T234-E238 WeakPolarHBondContact O-CG 3.36Å; T234-E238 PolarHBondContact O-N 2.92Å; T234-K292 PolarHBondContact OG1-NZ 2.93Å |
| 235 | K | 78.9 | Confident | 70.1 | Confident | 122 Ų | 122 | 92.7 Ų | 92.7 | 53% | 0.53 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 176.5 | -76.1 | -171 | 174 | -167.2 | 0 | 113.2 | R231 R232 L237 E238 A239 | R231-K235 WeakPolarHBondContact O-CG 3.41Å; R231-K235 PolarHBondContact O-N 3.49Å; R232-K235 PolarHBondContact O-N 3.09Å; K235-L237 VanDerWaalsContact C-N 3.31Å; K235-L237 PolarHBondContact O-N 3.34Å; K235-E238 PolarHBondContact O-N 3.42Å; K235-A239 WeakPolarHBondContact O-CB 3.22Å; K235-A239 PolarHBondContact O-N 3.11Å |
| 236 | S | 72 | Confident | 67.7 | Low | 42 Ų | 42 | 96.8 Ų | 96.8 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.4 | -34.2 | 177.6 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | R232 T233 T234 G240 V241 | R232-S236 WeakPolarHBondContact O-CB 3.45Å; R232-S236 PolarHBondContact O-N 3.26Å; T233-S236 PolarHBondContact O-N 3.49Å; T234-S236 PolarHBondContact O-N 3.05Å; S236-G240 PolarHBondContact O-N 2.66Å; S236-G240 VanDerWaalsContact O-N 3.08Å; S236-V241 PolarHBondContact O-N 2.92Å; S236-V241 PolarHBondContact OG-O 3.43Å |
| 237 | L | 68.3 | Low | 65.3 | Low | 67 Ų | 67 | 105.8 Ų | 105.8 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.1 | -41.9 | 174.3 | -70.5 | 171.2 | 0 | 0 | 0 | 112.3 | T233 T234 K235 A239 G240 L285 F288 | T233-L237 HydrophobicContact CG2-CD1 4.08Å; T233-L237 HydrophobicContact CG2-CG 4.43Å; T233-L237 WeakPolarHBondContact O-CB 3.44Å; T233-L237 WeakPolarHBondContact O-CG 3.04Å; T233-L237 PolarHBondContact O-N 3.35Å; T234-L237 PolarHBondContact O-N 2.89Å; K235-L237 VanDerWaalsContact C-N 3.31Å; K235-L237 PolarHBondContact O-N 3.34Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-G240 PolarHBondContact O-N 3.36Å; L237-L285 HydrophobicContact CD1-CD2 3.41Å; L237-L285 VanDerWaalsContact CD1-CD2 3.41Å; L237-L285 HydrophobicContact CD2-CD1 4.32Å; L237-L285 HydrophobicContact CD2-CD2 3.56Å; L237-L285 HydrophobicContact CD2-CG 4.08Å; L237-L285 HydrophobicContact CG-CD2 4.04Å; L237-F288 HydrophobicContact CD1-CD1 4.3Å |
| 238 | E | 69.3 | Low | 62.9 | Low | 155 Ų | 155 | 106.4 Ų | 106.4 | 72% | 0.724 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.6 | -36 | 174.2 | -73.7 | 170.3 | -179.2 | 0 | 0 | 112 | T234 K235 G240 | T234-E238 WeakPolarHBondContact CG2-OE1 3Å; T234-E238 WeakPolarHBondContact O-CG 3.36Å; T234-E238 PolarHBondContact O-N 2.92Å; K235-E238 PolarHBondContact O-N 3.42Å; E238-G240 VanDerWaalsContact C-N 3.29Å |
| 239 | A | 66.3 | Low | 60.3 | Low | 69 Ų | 69 | 108.2 Ų | 108.2 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | K235 L237 V241 | K235-A239 WeakPolarHBondContact O-CB 3.22Å; K235-A239 PolarHBondContact O-N 3.11Å; L237-A239 VanDerWaalsContact C-N 3.33Å; A239-V241 WeakPolarHBondContact O-CG2 3.17Å; A239-V241 PolarHBondContact O-N 3.13Å |
| 240 | G | 57.5 | Low | 57.7 | Low | 15 Ų | 15 | 113.3 Ų | 113.3 | 16% | 0.155 | 56% | 0.556 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 63.5 | 20.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S236 L237 E238 | S236-G240 PolarHBondContact O-N 2.66Å; S236-G240 VanDerWaalsContact O-N 3.08Å; L237-G240 PolarHBondContact O-N 3.36Å; E238-G240 VanDerWaalsContact C-N 3.29Å |
| 241 | V | 50.9 | Low | 55.5 | Low | 42 Ų | 42 | 117.7 Ų | 117.7 | 26% | 0.255 | 58% | 0.581 | S | S | . | * | trans | -129.2 | 118 | -176.3 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | S236 A239 V252 | S236-V241 PolarHBondContact O-N 2.92Å; S236-V241 PolarHBondContact OG-O 3.43Å; A239-V241 WeakPolarHBondContact O-CG2 3.17Å; A239-V241 PolarHBondContact O-N 3.13Å; V241-V252 HydrophobicContact CG1-CG1 4.21Å; V241-V252 HydrophobicContact CG1-CG2 4.37Å; V241-V252 HydrophobicContact CG2-CG1 3.64Å | ||
| 242 | K | 48.3 | Very low | 53.3 | Low | 163 Ų | 163 | 115 Ų | 115 | 71% | 0.709 | 58% | 0.579 | S | S | * | * | trans | -96 | 100.9 | 167.4 | -144.5 | -172.8 | -177.5 | -159.5 | 0 | 107 | E244 | K242-E244 PolarHBondContact O-N 2.99Š| ||
| 243 | R | 43.4 | Very low | 51.4 | Low | 196 Ų | 196 | 112.2 Ų | 112.2 | 74% | 0.74 | 58% | 0.577 | S | S | * | * | trans | -80 | 105.2 | 179.7 | -149.8 | 178.9 | -161.6 | -166.2 | 2.6 | 108.5 | E250 | R243-E250 IonicContact CZ-OE1 3.93Å; R243-E250 IonicContact NE-OE1 3.92Å; R243-E250 PolarHBondContact NE-OE1 2.79Å; R243-E250 VanDerWaalsContact NE-OE1 3.07Å; R243-E250 IonicContact NH2-OE1 3.07Å; R243-E250 PolarHBondContact NH2-OE1 3.5Å; R243-E250 IonicContact NH2-OE2 2.78Å | ||
| 244 | E | 39.1 | Very low | 49.8 | Very low | 180 Ų | 180 | 119.6 Ų | 119.6 | 84% | 0.841 | 60% | 0.599 | S | S | * | * | trans | -89.7 | 121.7 | 172.3 | -159.5 | 163.8 | -133.7 | 0 | 0 | 108.8 | K242 N246 | K242-E244 PolarHBondContact O-N 2.99Å; E244-N246 PolarHBondContact O-N 2.87Å | ||
| 245 | R | 40.8 | Very low | 48.6 | Very low | 237 Ų | 237 | 121.7 Ų | 121.7 | 89% | 0.894 | 61% | 0.609 | S | S | * | * | trans | -96 | 85.9 | 179.7 | 179.5 | 176 | 159.1 | 158.9 | -4.6 | 107.6 | ||||
| 246 | N | 41.1 | Very low | 46.6 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 82% | 0.824 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -158.6 | 120.7 | 152.6 | -96.5 | -17.7 | 0 | 0 | 0 | 110.5 | E244 | E244-N246 PolarHBondContact O-N 2.87Š|
| 247 | K | 38.9 | Very low | 45.2 | Very low | 198 Ų | 198 | 127.2 Ų | 127.2 | 86% | 0.861 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 59.7 | 95.8 | 174.7 | -62.5 | -176.4 | 178.3 | 179.1 | 0 | 116.8 | A249 | K247-A249 VanDerWaalsContact C-N 3.3Å; K247-A249 PolarHBondContact O-N 3.36Å |
| 248 | S | 35.3 | Very low | 43.8 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 100% | 1.007 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 42.7 | 19.1 | 147 | -49.6 | 0 | 0 | 0 | 0 | 122.3 | ||
| 249 | A | 34.6 | Very low | 42.1 | Very low | 72 Ų | 72 | 130.4 Ų | 130.4 | 60% | 0.595 | 66% | 0.659 | S | S | * | * | trans | -133.4 | 109.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | K247 V251 | K247-A249 VanDerWaalsContact C-N 3.3Å; K247-A249 PolarHBondContact O-N 3.36Å; A249-V251 VanDerWaalsContact C-N 3.33Å; A249-V251 HydrophobicContact CB-CG2 4.32Å; A249-V251 PolarHBondContact O-N 2.72Å | ||
| 250 | E | 31.5 | Very low | 40.7 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 61% | 0.612 | 68% | 0.675 | S | S | * | * | trans | -74.1 | 86.4 | 172 | -178 | 160.6 | -137.4 | 0 | 0 | 109.3 | R243 V252 | R243-E250 IonicContact CZ-OE1 3.93Å; R243-E250 IonicContact NE-OE1 3.92Å; R243-E250 PolarHBondContact NE-OE1 2.79Å; R243-E250 VanDerWaalsContact NE-OE1 3.07Å; R243-E250 IonicContact NH2-OE1 3.07Å; R243-E250 PolarHBondContact NH2-OE1 3.5Å; R243-E250 IonicContact NH2-OE2 2.78Å; E250-V252 HydrophobicContact CG-CG2 4.13Å; E250-V252 PolarHBondContact O-N 3.45Å | ||
| 251 | V | 35.9 | Very low | 39.9 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | trans | -84.9 | 97.8 | 174.4 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | A249 L253 | A249-V251 VanDerWaalsContact C-N 3.33Å; A249-V251 HydrophobicContact CB-CG2 4.32Å; A249-V251 PolarHBondContact O-N 2.72Å; V251-L253 PolarHBondContact O-N 2.93Å; V251-L253 VanDerWaalsContact O-N 3.15Å | ||
| 252 | V | 36.8 | Very low | 39.3 | Very low | 77 Ų | 77 | 146.3 Ų | 146.3 | 47% | 0.467 | 73% | 0.729 | S | S | . | * | trans | -75.3 | 96.6 | 171.7 | 177.2 | 0 | 0 | 0 | 0 | 109 | V241 E250 R254 | V241-V252 HydrophobicContact CG1-CG1 4.21Å; V241-V252 HydrophobicContact CG1-CG2 4.37Å; V241-V252 HydrophobicContact CG2-CG1 3.64Å; E250-V252 HydrophobicContact CG-CG2 4.13Å; E250-V252 PolarHBondContact O-N 3.45Å; V252-R254 PolarHBondContact O-N 3.26Å | ||
| 253 | L | 40.9 | Very low | 38.6 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 60% | 0.602 | 73% | 0.732 | S | S | * | * | trans | -80.5 | 84.8 | 178.8 | -148.5 | 139.2 | 0 | 0 | 0 | 110 | V251 I255 | V251-L253 PolarHBondContact O-N 2.93Å; V251-L253 VanDerWaalsContact O-N 3.15Å; L253-I255 PolarHBondContact O-N 3.17Å | ||
| 254 | R | 40.5 | Very low | 38.4 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 75% | 0.751 | 73% | 0.734 | S | S | * | * | trans | -58.7 | 110.5 | 175.4 | -100.1 | -174.7 | -161.8 | 135.1 | 5.7 | 110.1 | V252 H256 | V252-R254 PolarHBondContact O-N 3.26Å; R254-H256 PolarHBondContact O-N 3.29Å | ||
| 255 | I | 49.4 | Very low | 38.4 | Very low | 73 Ų | 73 | 143.2 Ų | 143.2 | 37% | 0.374 | 74% | 0.736 | S | S | . | * | trans | -77 | 87.8 | 174.5 | -53.5 | 173.7 | 0 | 0 | 0 | 108.4 | L253 C257 L281 | L253-I255 PolarHBondContact O-N 3.17Å; I255-C257 PolarHBondContact O-N 3.39Å; I255-L281 HydrophobicContact CG2-CD2 4.35Å | ||
| 256 | H | 38.5 | Very low | 38.3 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | -81.3 | 102.3 | 166.3 | -90.6 | -83.9 | 0 | 0 | 0 | 109.7 | R254 R258 | R254-H256 PolarHBondContact O-N 3.29Å; H256-R258 VanDerWaalsContact C-N 3.25Å; H256-R258 PolarHBondContact O-N 3.41Å | ||
| 257 | C | 42.6 | Very low | 38 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | -74.8 | 79.4 | 160 | -78.7 | 0 | 0 | 0 | 0 | 108.8 | I255 S259 | I255-C257 PolarHBondContact O-N 3.39Å; C257-S259 PolarHBondContact O-N 3.48Å | ||
| 258 | R | 38.6 | Very low | 37.7 | Very low | 194 Ų | 194 | 132 Ų | 132 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | trans | -69.8 | 116.1 | 168.1 | -170.6 | 170.1 | 177 | 178.5 | -7.3 | 107.6 | H256 V260 | H256-R258 VanDerWaalsContact C-N 3.25Å; H256-R258 PolarHBondContact O-N 3.41Å; R258-V260 PolarHBondContact O-N 2.61Å | ||
| 259 | S | 33.2 | Very low | 37.7 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 67% | 0.671 | 72% | 0.723 | S | S | * | * | trans | -59.3 | 133 | 171.4 | 56.3 | 0 | 0 | 0 | 0 | 108.9 | C257 L261 | C257-S259 PolarHBondContact O-N 3.48Å; S259-L261 PolarHBondContact O-N 3.35Å | ||
| 260 | V | 37.9 | Very low | 37.7 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -71.6 | 87.4 | 169.1 | 180 | 0 | 0 | 0 | 0 | 107.5 | R258 | R258-V260 PolarHBondContact O-N 2.61Š|
| 261 | L | 39.3 | Very low | 38.1 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | -146.2 | 128.3 | 152.9 | -158 | 74.7 | 0 | 0 | 0 | 105.5 | S259 | S259-L261 PolarHBondContact O-N 3.35Š| ||
| 262 | E | 38.5 | Very low | 38 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | trans | 80 | 84.6 | -171.1 | -54 | -170.4 | 135.9 | 0 | 0 | 115.2 | ||||
| 263 | D | 34.8 | Very low | 38.1 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | -161.1 | 74.3 | 129.5 | -89.1 | -28.8 | 0 | 0 | 0 | 107.9 | |||||
| 264 | A | 37.7 | Very low | 37.9 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | trans | -119.4 | 61.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 265 | R | 39.4 | Very low | 38.1 | Very low | 232 Ų | 232 | 141.4 Ų | 141.4 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -161.2 | 127 | 160.3 | -102 | 150.5 | -166.3 | -163.6 | 4.3 | 108.4 | ||
| 266 | S | 38.5 | Very low | 38.1 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 77.3 | 88 | 178.1 | 66.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 267 | A | 35.4 | Very low | 38.4 | Very low | 108 Ų | 108 | 142 Ų | 142 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -121.4 | 96 | 154.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 268 | S | 31.7 | Very low | 38.5 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -101.7 | 120.5 | 152.4 | 178.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 269 | S | 36.7 | Very low | 39.2 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 42.7 | 106.6 | 152.7 | -160.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 270 | K | 34.6 | Very low | 40.4 | Very low | 197 Ų | 197 | 139 Ų | 139 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | 178.8 | 135.7 | 114.2 | -94.4 | 165.1 | -174.3 | 179.7 | 0 | 111.9 | S272 | K270-S272 PolarHBondContact O-N 3.19Š| |||
| 271 | N | 39 | Very low | 41.3 | Very low | 171 Ų | 171 | 135 Ų | 135 | 91% | 0.914 | 73% | 0.731 | S | S | * | * | trans | -52.2 | 119.1 | 171.8 | -90.8 | -27 | 0 | 0 | 0 | 112.5 | ||||
| 272 | S | 33.7 | Very low | 42.2 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | trans | -144 | 113.1 | 150.3 | 62.9 | 0 | 0 | 0 | 0 | 109.9 | K270 T274 | K270-S272 PolarHBondContact O-N 3.19Å; S272-T274 PolarHBondContact O-N 3.03Å; S272-T274 PolarHBondContact O-OG1 2.55Å | ||
| 273 | K | 39.1 | Very low | 43.4 | Very low | 197 Ų | 197 | 126.9 Ų | 126.9 | 86% | 0.857 | 70% | 0.702 | S | S | * | * | trans | -67.7 | 92.3 | 172.8 | -67.6 | 179 | -179.6 | 176.5 | 0 | 108.2 | ||||
| 274 | T | 36.2 | Very low | 44.8 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 76% | 0.755 | 68% | 0.682 | S | S | * | * | trans | -104.1 | 104.9 | 175.1 | -29.7 | 0 | 0 | 0 | 0 | 108.6 | S272 | S272-T274 PolarHBondContact O-N 3.03Å; S272-T274 PolarHBondContact O-OG1 2.55Å | ||
| 275 | H | 45.3 | Very low | 46.2 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | trans | -71.1 | 166.7 | -174.5 | -93 | -82.4 | 0 | 0 | 0 | 114.1 | F277 | H275-F277 PolarHBondContact O-N 3.22Š| ||
| 276 | P | 49.1 | Very low | 47.4 | Very low | 93 Ų | 93 | 119 Ų | 119 | 60% | 0.604 | 65% | 0.653 | S | S | * | * | trans | -87.1 | 49.9 | -149.9 | 37.8 | -37.6 | 0 | 0 | 0 | 114.5 | R278 S279 | P276-R278 PolarHBondContact O-N 3.11Å; P276-S279 PolarHBondContact O-N 3.48Å; P276-S279 PolarHBondContact O-OG 3.36Å | ||
| 277 | F | 44.5 | Very low | 48.7 | Very low | 150 Ų | 150 | 117 Ų | 117 | 66% | 0.658 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.4 | -27.1 | -175.5 | -166.7 | -102.3 | 0 | 0 | 0 | 113.9 | H275 S279 S280 | H275-F277 PolarHBondContact O-N 3.22Å; F277-S279 PolarHBondContact O-N 3Å; F277-S280 PolarHBondContact O-N 3.24Å |
| 278 | R | 45.7 | Very low | 50.1 | Low | 230 Ų | 230 | 112.6 Ų | 112.6 | 87% | 0.868 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.4 | -24.4 | -176.5 | -68.9 | -174.9 | 177.1 | 169.8 | 0.9 | 114.5 | P276 S282 | P276-R278 PolarHBondContact O-N 3.11Å; R278-S282 PolarHBondContact O-OG 3.41Å |
| 279 | S | 53.9 | Low | 51.8 | Low | 75 Ų | 75 | 110.8 Ų | 110.8 | 52% | 0.524 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -78.7 | -34.5 | 176.9 | 68.1 | 0 | 0 | 0 | 0 | 112 | P276 F277 V283 | P276-S279 PolarHBondContact O-N 3.48Å; P276-S279 PolarHBondContact O-OG 3.36Å; F277-S279 PolarHBondContact O-N 3Å; S279-V283 WeakPolarHBondContact O-CG2 2.99Å; S279-V283 PolarHBondContact O-N 2.96Å; S279-V283 VanDerWaalsContact O-N 3.11Å |
| 280 | S | 57.7 | Low | 53.3 | Low | 44 Ų | 44 | 112.9 Ų | 112.9 | 31% | 0.308 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.8 | -42.8 | -175.8 | -175.1 | 0 | 0 | 0 | 0 | 112.9 | F277 V283 R284 | F277-S280 PolarHBondContact O-N 3.24Å; S280-V283 PolarHBondContact O-N 3.47Å; S280-R284 WeakPolarHBondContact O-CG 3.29Å; S280-R284 PolarHBondContact O-N 2.99Å; S280-R284 PolarHBondContact OG-NE 3.33Å |
| 281 | L | 57.3 | Low | 55 | Low | 64 Ų | 64 | 105.3 Ų | 105.3 | 34% | 0.335 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | -179.8 | -166.4 | 103.4 | 0 | 0 | 0 | 112.5 | I255 V283 R284 L285 | I255-L281 HydrophobicContact CG2-CD2 4.35Å; L281-V283 VanDerWaalsContact C-N 3.29Å; L281-V283 PolarHBondContact O-N 2.94Å; L281-R284 WeakPolarHBondContact O-CB 3.31Å; L281-R284 PolarHBondContact O-N 3.24Å; L281-R284 VanDerWaalsContact O-N 3.12Å; L281-L285 HydrophobicContact CD2-CD1 4.09Å; L281-L285 HydrophobicContact CG-CD1 4.47Å; L281-L285 PolarHBondContact O-N 3.49Å |
| 282 | S | 58.6 | Low | 56.4 | Low | 62 Ų | 62 | 101.3 Ų | 101.3 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 176.5 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | R278 L285 M286 | R278-S282 PolarHBondContact O-OG 3.41Å; S282-L285 PolarHBondContact O-N 2.93Å; S282-M286 WeakPolarHBondContact O-CG 3.23Å; S282-M286 PolarHBondContact O-N 3.49Å |
| 283 | V | 62.9 | Low | 58.2 | Low | 79 Ų | 79 | 101.9 Ų | 101.9 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 173.3 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | S279 S280 L281 M286 K287 | S279-V283 WeakPolarHBondContact O-CG2 2.99Å; S279-V283 PolarHBondContact O-N 2.96Å; S279-V283 VanDerWaalsContact O-N 3.11Å; S280-V283 PolarHBondContact O-N 3.47Å; L281-V283 VanDerWaalsContact C-N 3.29Å; L281-V283 PolarHBondContact O-N 2.94Å; V283-M286 PolarHBondContact O-N 3.22Å; V283-K287 WeakPolarHBondContact O-CG 3.48Å; V283-K287 PolarHBondContact O-N 3.18Å |
| 284 | R | 64.4 | Low | 59.6 | Low | 100 Ų | 100 | 94 Ų | 94 | 38% | 0.377 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 175.6 | -68.8 | 168.8 | -176.8 | -174.4 | -0.8 | 111.9 | L151 S280 L281 K287 F288 | L151-R284 HydrophobicContact CD1-CG 3.81Å; L151-R284 HydrophobicContact CD2-CG 3.78Å; L151-R284 HydrophobicContact CG-CG 4.35Å; S280-R284 WeakPolarHBondContact O-CG 3.29Å; S280-R284 PolarHBondContact O-N 2.99Å; S280-R284 PolarHBondContact OG-NE 3.33Å; L281-R284 WeakPolarHBondContact O-CB 3.31Å; L281-R284 PolarHBondContact O-N 3.24Å; L281-R284 VanDerWaalsContact O-N 3.12Å; R284-K287 PolarHBondContact O-N 3.31Å; R284-F288 WeakPolarHBondContact O-CB 3.18Å; R284-F288 PolarHBondContact O-N 3.28Å |
| 285 | L | 65.9 | Low | 61.4 | Low | 66 Ų | 66 | 88.6 Ų | 88.6 | 35% | 0.346 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 176.8 | -99.3 | 156.2 | 0 | 0 | 0 | 112.6 | L237 L281 S282 F288 S289 | L237-L285 HydrophobicContact CD1-CD2 3.41Å; L237-L285 VanDerWaalsContact CD1-CD2 3.41Å; L237-L285 HydrophobicContact CD2-CD1 4.32Å; L237-L285 HydrophobicContact CD2-CD2 3.56Å; L237-L285 HydrophobicContact CD2-CG 4.08Å; L237-L285 HydrophobicContact CG-CD2 4.04Å; L281-L285 HydrophobicContact CD2-CD1 4.09Å; L281-L285 HydrophobicContact CG-CD1 4.47Å; L281-L285 PolarHBondContact O-N 3.49Å; S282-L285 PolarHBondContact O-N 2.93Å; L285-F288 PolarHBondContact O-N 3.29Å; L285-S289 WeakPolarHBondContact O-CB 3.31Å; L285-S289 PolarHBondContact O-N 3.38Å |
| 286 | M | 64.9 | Low | 62.9 | Low | 141 Ų | 141 | 88.4 Ų | 88.4 | 70% | 0.695 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.2 | -42 | 175.9 | -70.5 | -145.8 | -136.3 | 0 | 0 | 112.5 | S282 V283 S289 R290 | S282-M286 WeakPolarHBondContact O-CG 3.23Å; S282-M286 PolarHBondContact O-N 3.49Å; V283-M286 PolarHBondContact O-N 3.22Å; M286-S289 PolarHBondContact O-N 2.97Å; M286-R290 PolarHBondContact O-N 2.91Å; M286-R290 VanDerWaalsContact O-N 3.09Å |
| 287 | K | 65.8 | Low | 64.2 | Low | 87 Ų | 87 | 84.8 Ų | 84.8 | 38% | 0.378 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 174.1 | -79.3 | -175.3 | 177.4 | 179.6 | 0 | 110.8 | V283 R284 S289 R290 E291 | V283-K287 WeakPolarHBondContact O-CG 3.48Å; V283-K287 PolarHBondContact O-N 3.18Å; R284-K287 PolarHBondContact O-N 3.31Å; K287-S289 PolarHBondContact O-N 3.48Å; K287-R290 PolarHBondContact O-N 3.23Å; K287-E291 WeakPolarHBondContact O-CG 3.43Å; K287-E291 PolarHBondContact O-N 3Å |
| 288 | F | 65.8 | Low | 65.8 | Low | 17 Ų | 17 | 78.1 Ų | 78.1 | 8% | 0.075 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 178.3 | -178.6 | -98.9 | 0 | 0 | 0 | 113.1 | V147 T233 L237 R284 L285 R290 E291 K292 | V147-F288 HydrophobicContact CG1-CE2 4.31Å; T233-F288 HydrophobicContact CG2-CD1 3.85Å; T233-F288 HydrophobicContact CG2-CD2 4.06Å; T233-F288 HydrophobicContact CG2-CE1 3.42Å; T233-F288 VanDerWaalsContact CG2-CE1 3.42Å; T233-F288 HydrophobicContact CG2-CE2 3.66Å; T233-F288 HydrophobicContact CG2-CG 4.17Å; T233-F288 HydrophobicContact CG2-CZ 3.33Å; L237-F288 HydrophobicContact CD1-CD1 4.3Å; R284-F288 WeakPolarHBondContact O-CB 3.18Å; R284-F288 PolarHBondContact O-N 3.28Å; L285-F288 PolarHBondContact O-N 3.29Å; F288-R290 VanDerWaalsContact C-N 3.32Å; F288-R290 PolarHBondContact O-N 3.09Å; F288-E291 PolarHBondContact O-N 3.12Å; F288-K292 PolarHBondContact O-N 3.49Å |
| 289 | S | 67.9 | Low | 67.5 | Low | 78 Ų | 78 | 69.3 Ų | 69.3 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 176.7 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | L285 M286 K287 K292 K293 | L285-S289 WeakPolarHBondContact O-CB 3.31Å; L285-S289 PolarHBondContact O-N 3.38Å; M286-S289 PolarHBondContact O-N 2.97Å; K287-S289 PolarHBondContact O-N 3.48Å; S289-K292 PolarHBondContact O-N 2.79Å; S289-K293 PolarHBondContact O-N 3.45Å; S289-K293 VanDerWaalsContact O-N 3.12Å |
| 290 | R | 66.9 | Low | 69 | Low | 143 Ų | 143 | 69.7 Ų | 69.7 | 54% | 0.54 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 175.3 | -172.8 | 174.4 | 63.1 | -143.3 | 1.6 | 112.1 | M286 K287 F288 K292 K293 A294 | M286-R290 PolarHBondContact O-N 2.91Å; M286-R290 VanDerWaalsContact O-N 3.09Å; K287-R290 PolarHBondContact O-N 3.23Å; F288-R290 VanDerWaalsContact C-N 3.32Å; F288-R290 PolarHBondContact O-N 3.09Å; R290-K292 VanDerWaalsContact C-N 3.33Å; R290-K292 PolarHBondContact O-N 3.15Å; R290-K293 PolarHBondContact O-N 3.15Å; R290-A294 PolarHBondContact O-N 3.28Å |
| 291 | E | 69.9 | Low | 70.2 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -38 | 175.9 | -65.9 | -51.9 | 137.4 | 0 | 0 | 111.9 | R143 V147 K287 F288 K293 A294 A295 | R143-E291 IonicContact CZ-OE2 2.86Å; R143-E291 IonicContact NH1-OE2 2.76Å; R143-E291 PolarHBondContact NH1-OE2 3.26Å; V147-E291 HydrophobicContact CG2-CB 4.34Å; K287-E291 WeakPolarHBondContact O-CG 3.43Å; K287-E291 PolarHBondContact O-N 3Å; F288-E291 PolarHBondContact O-N 3.12Å; E291-K293 VanDerWaalsContact C-N 3.34Å; E291-K293 PolarHBondContact O-N 3.24Å; E291-A294 PolarHBondContact O-N 3.49Å; E291-A295 WeakPolarHBondContact O-CB 3.47Å; E291-A295 PolarHBondContact O-N 3.5Å |
| 292 | K | 68.9 | Low | 71.6 | Confident | 88 Ų | 88 | 65 Ų | 65 | 38% | 0.383 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 174.5 | -177 | 178.2 | 178.5 | 178.6 | 0 | 112.1 | T234 F288 S289 R290 A295 K296 | T234-K292 PolarHBondContact OG1-NZ 2.93Å; F288-K292 PolarHBondContact O-N 3.49Å; S289-K292 PolarHBondContact O-N 2.79Å; R290-K292 VanDerWaalsContact C-N 3.33Å; R290-K292 PolarHBondContact O-N 3.15Å; K292-A295 PolarHBondContact O-N 3.4Å; K292-K296 PolarHBondContact O-N 3.3Å; K292-K296 VanDerWaalsContact O-N 3.14Å |
| 293 | K | 71.8 | Confident | 73 | Confident | 105 Ų | 105 | 63.6 Ų | 63.6 | 46% | 0.457 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 176 | -172 | -179.2 | 176.2 | -171.6 | 0 | 111.4 | S289 R290 E291 A295 K296 T297 | S289-K293 PolarHBondContact O-N 3.45Å; S289-K293 VanDerWaalsContact O-N 3.12Å; R290-K293 PolarHBondContact O-N 3.15Å; E291-K293 VanDerWaalsContact C-N 3.34Å; E291-K293 PolarHBondContact O-N 3.24Å; K293-A295 VanDerWaalsContact C-N 3.33Å; K293-A295 PolarHBondContact O-N 3.36Å; K293-K296 PolarHBondContact O-N 3.23Å; K293-T297 PolarHBondContact O-N 3.09Å; K293-T297 PolarHBondContact O-OG1 3.32Å |
| 294 | A | 68.6 | Low | 74.3 | Confident | 32 Ų | 32 | 63 Ų | 63 | 26% | 0.264 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R290 E291 K296 T297 L298 | R290-A294 PolarHBondContact O-N 3.28Å; E291-A294 PolarHBondContact O-N 3.49Å; A294-K296 PolarHBondContact O-N 3.26Å; A294-T297 WeakPolarHBondContact O-CB 3.33Å; A294-T297 PolarHBondContact O-N 2.95Å; A294-L298 WeakPolarHBondContact O-CG 3.34Å; A294-L298 PolarHBondContact O-N 3.08Å |
| 295 | A | 72.9 | Confident | 75.5 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | V147 V226 E291 K292 K293 T297 L298 A299 | V147-A295 HydrophobicContact CG2-CB 4.11Å; V226-A295 HydrophobicContact CG1-CB 3.85Å; E291-A295 WeakPolarHBondContact O-CB 3.47Å; E291-A295 PolarHBondContact O-N 3.5Å; K292-A295 PolarHBondContact O-N 3.4Å; K293-A295 VanDerWaalsContact C-N 3.33Å; K293-A295 PolarHBondContact O-N 3.36Å; A295-T297 PolarHBondContact O-N 3.43Å; A295-L298 PolarHBondContact O-N 3.47Å; A295-A299 PolarHBondContact O-N 3.45Å |
| 296 | K | 78 | Confident | 76.8 | Confident | 156 Ų | 156 | 56.6 Ų | 56.6 | 68% | 0.678 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.1 | -46 | 174.7 | -177.6 | -178.7 | 177.8 | 179.6 | 0 | 111.6 | K292 K293 A294 L298 A299 I300 | K292-K296 PolarHBondContact O-N 3.3Å; K292-K296 VanDerWaalsContact O-N 3.14Å; K293-K296 PolarHBondContact O-N 3.23Å; A294-K296 PolarHBondContact O-N 3.26Å; K296-L298 VanDerWaalsContact C-N 3.28Å; K296-L298 PolarHBondContact O-N 3.5Å; K296-A299 PolarHBondContact O-N 3.19Å; K296-I300 PolarHBondContact O-N 2.99Å |
| 297 | T | 75.4 | Confident | 78.1 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.6 | -48.9 | 175.2 | -68 | 0 | 0 | 0 | 0 | 111.7 | K293 A294 A295 A299 I300 V301 S353 | K293-T297 PolarHBondContact O-N 3.09Å; K293-T297 PolarHBondContact O-OG1 3.32Å; A294-T297 WeakPolarHBondContact O-CB 3.33Å; A294-T297 PolarHBondContact O-N 2.95Å; A295-T297 PolarHBondContact O-N 3.43Å; T297-A299 VanDerWaalsContact C-N 3.31Å; T297-A299 PolarHBondContact O-N 3.13Å; T297-I300 WeakPolarHBondContact O-CB 3.24Å; T297-I300 PolarHBondContact O-N 2.92Å; T297-V301 PolarHBondContact O-N 3.28Å; T297-S353 WeakPolarHBondContact CG2-OG 3.44Å; T297-S353 VanDerWaalsContact OG1-CB 3.22Å; T297-S353 WeakPolarHBondContact OG1-CB 3.34Å; T297-S353 PolarHBondContact OG1-O 3Å |
| 298 | L | 77.9 | Confident | 79.4 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -77.2 | -20.7 | -173.5 | -67.6 | 165.3 | 0 | 0 | 0 | 112.6 | I139 R143 Y223 A294 A295 K296 I300 V301 V302 | I139-L298 HydrophobicContact CG2-CD1 4.29Å; I139-L298 HydrophobicContact CG2-CD2 4Å; R143-L298 HydrophobicContact CG-CD1 3.22Å; R143-L298 HydrophobicContact CG-CG 4.46Å; Y223-L298 HydrophobicContact CE1-CB 4.28Å; Y223-L298 VanDerWaalsContact OH-C 3.24Å; Y223-L298 VanDerWaalsContact OH-CB 3.27Å; Y223-L298 WeakPolarHBondContact OH-CB 3.21Å; Y223-L298 PolarHBondContact OH-O 3.42Å; A294-L298 WeakPolarHBondContact O-CG 3.34Å; A294-L298 PolarHBondContact O-N 3.08Å; A295-L298 PolarHBondContact O-N 3.47Å; K296-L298 VanDerWaalsContact C-N 3.28Å; K296-L298 PolarHBondContact O-N 3.5Å; L298-I300 VanDerWaalsContact C-N 3.32Å; L298-V301 HydrophobicContact CD2-CG2 4.29Å; L298-V301 PolarHBondContact O-N 3.42Å; L298-V302 PolarHBondContact O-N 2.96Å |
| 299 | A | 81.8 | Confident | 80.8 | Confident | 46 Ų | 46 | 51 Ų | 51 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.4 | -35.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y223 A295 K296 T297 V302 G303 | Y223-A299 HydrophobicContact CD1-CB 4.09Å; Y223-A299 HydrophobicContact CE1-CB 4.01Å; A295-A299 PolarHBondContact O-N 3.45Å; K296-A299 PolarHBondContact O-N 3.19Å; T297-A299 VanDerWaalsContact C-N 3.31Å; T297-A299 PolarHBondContact O-N 3.13Å; A299-V302 PolarHBondContact O-N 3.26Å; A299-G303 PolarHBondContact O-N 3.09Å |
| 300 | I | 85 | Confident | 82 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 43% | 0.426 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 173.4 | -60.6 | 168.1 | 0 | 0 | 0 | 110.1 | K296 T297 L298 V302 G303 M304 I349 | K296-I300 PolarHBondContact O-N 2.99Å; T297-I300 WeakPolarHBondContact O-CB 3.24Å; T297-I300 PolarHBondContact O-N 2.92Å; L298-I300 VanDerWaalsContact C-N 3.32Å; I300-V302 VanDerWaalsContact C-N 3.3Å; I300-V302 PolarHBondContact O-N 3.05Å; I300-G303 PolarHBondContact O-N 3.48Å; I300-M304 HydrophobicContact CG2-CG 4.44Å; I300-M304 WeakPolarHBondContact O-CG 3.43Å; I300-M304 PolarHBondContact O-N 3.25Å; I300-I349 HydrophobicContact CG2-CD1 4.27Å |
| 301 | V | 83.9 | Confident | 83.3 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.5 | -48.7 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | L136 T297 L298 M304 F305 I349 Y350 | L136-V301 HydrophobicContact CD2-CG1 3.82Å; T297-V301 PolarHBondContact O-N 3.28Å; L298-V301 HydrophobicContact CD2-CG2 4.29Å; L298-V301 PolarHBondContact O-N 3.42Å; V301-M304 PolarHBondContact O-N 3.48Å; V301-F305 WeakPolarHBondContact O-CB 3.49Å; V301-F305 PolarHBondContact O-N 3.43Å; V301-I349 HydrophobicContact CB-CD1 4.39Å; V301-I349 HydrophobicContact CG2-CB 4.16Å; V301-I349 HydrophobicContact CG2-CD1 4Å; V301-I349 HydrophobicContact CG2-CG2 3.49Å; V301-I349 VanDerWaalsContact CG2-CG2 3.49Å; V301-Y350 HydrophobicContact CG2-CE1 4.18Å |
| 302 | V | 85.7 | Confident | 84.3 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.7 | -39.9 | 179.4 | 163.1 | 0 | 0 | 0 | 0 | 113.2 | I219 Y223 L298 A299 I300 M304 F305 I306 | I219-V302 HydrophobicContact CG2-CB 4.26Å; I219-V302 HydrophobicContact CG2-CG1 3.38Å; I219-V302 HydrophobicContact CG2-CG2 3.83Å; Y223-V302 HydrophobicContact CD2-CG1 4.37Å; Y223-V302 HydrophobicContact CD2-CG2 4.19Å; Y223-V302 HydrophobicContact CE1-CG2 4.48Å; Y223-V302 HydrophobicContact CE2-CB 4.1Å; Y223-V302 HydrophobicContact CE2-CG1 4.35Å; Y223-V302 HydrophobicContact CE2-CG2 3.37Å; Y223-V302 VanDerWaalsContact OH-CG2 3.29Å; Y223-V302 WeakPolarHBondContact OH-CG2 3.5Å; L298-V302 PolarHBondContact O-N 2.96Å; A299-V302 PolarHBondContact O-N 3.26Å; I300-V302 VanDerWaalsContact C-N 3.3Å; I300-V302 PolarHBondContact O-N 3.05Å; V302-M304 PolarHBondContact O-N 3.29Å; V302-F305 WeakPolarHBondContact O-CB 3.49Å; V302-F305 PolarHBondContact O-N 3.47Å; V302-I306 HydrophobicContact CG1-CD1 3.96Å; V302-I306 HydrophobicContact CG1-CG1 4.49Å; V302-I306 VanDerWaalsContact O-CG1 3.32Å; V302-I306 WeakPolarHBondContact O-CG1 3.46Å; V302-I306 PolarHBondContact O-N 2.8Å |
| 303 | G | 88.6 | Confident | 85.4 | Confident | 31 Ų | 31 | 40.6 Ų | 40.6 | 32% | 0.32 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.1 | -47.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A299 I300 I306 L307 | A299-G303 PolarHBondContact O-N 3.09Å; I300-G303 PolarHBondContact O-N 3.48Å; G303-I306 PolarHBondContact O-N 3.48Å; G303-L307 VanDerWaalsContact O-CG 3.31Å; G303-L307 WeakPolarHBondContact O-CG 3.45Å; G303-L307 PolarHBondContact O-N 3.05Å; G303-L307 VanDerWaalsContact O-N 3.09Å |
| 304 | M | 90.4 | Very high | 86.4 | Confident | 66 Ų | 66 | 38.8 Ų | 38.8 | 33% | 0.325 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 177.4 | -65.7 | -52.2 | -59.1 | 0 | 0 | 112.4 | I300 V301 V302 I306 L307 C308 I345 I349 | I300-M304 HydrophobicContact CG2-CG 4.44Å; I300-M304 WeakPolarHBondContact O-CG 3.43Å; I300-M304 PolarHBondContact O-N 3.25Å; V301-M304 PolarHBondContact O-N 3.48Å; V302-M304 PolarHBondContact O-N 3.29Å; M304-I306 PolarHBondContact O-N 3.34Å; M304-L307 PolarHBondContact O-N 3.13Å; M304-L307 HydrophobicContact SD-CD1 4.14Å; M304-C308 WeakPolarHBondContact O-CB 3.41Å; M304-C308 PolarHBondContact O-N 2.9Å; M304-C308 PolarHBondContact O-SG 3.38Å; M304-I345 HydrophobicContact CB-CD1 4.3Å; M304-I345 HydrophobicContact CB-CG2 4.03Å; M304-I345 HydrophobicContact CE-CD1 3.75Å; M304-I345 HydrophobicContact CG-CG2 4.24Å; M304-I349 HydrophobicContact CB-CD1 4.27Å; M304-I349 HydrophobicContact CG-CD1 4.02Å |
| 305 | F | 90.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 174.4 | 166.3 | -98.6 | 0 | 0 | 0 | 112.2 | I133 L136 F212 I219 V301 V302 L307 C308 W309 | I133-F305 HydrophobicContact CB-CE2 4.35Å; I133-F305 HydrophobicContact CB-CZ 4.09Å; I133-F305 HydrophobicContact CD1-CZ 4.35Å; I133-F305 HydrophobicContact CG1-CE2 3.63Å; I133-F305 HydrophobicContact CG1-CZ 3.61Å; I133-F305 HydrophobicContact CG2-CE1 4.31Å; I133-F305 HydrophobicContact CG2-CE2 4.34Å; I133-F305 HydrophobicContact CG2-CZ 3.6Å; L136-F305 HydrophobicContact CD1-CB 3.92Å; L136-F305 HydrophobicContact CD1-CD1 4.13Å; L136-F305 HydrophobicContact CD1-CD2 3.19Å; L136-F305 HydrophobicContact CD1-CE2 3.72Å; L136-F305 HydrophobicContact CD1-CG 3.44Å; L136-F305 VanDerWaalsContact CD1-CG 3.44Å; L136-F305 HydrophobicContact CD1-CZ 4.39Å; F212-F305 HydrophobicContact CD2-CE1 4.42Å; F212-F305 HydrophobicContact CD2-CZ 4.04Å; F212-F305 AromaticContact CE2-CE1 3.97Å; F212-F305 HydrophobicContact CE2-CE1 3.97Å; F212-F305 AromaticContact CE2-CZ 3.9Å; F212-F305 HydrophobicContact CE2-CZ 3.9Å; I219-F305 HydrophobicContact CD1-CE1 4.5Å; V301-F305 WeakPolarHBondContact O-CB 3.49Å; V301-F305 PolarHBondContact O-N 3.43Å; V302-F305 WeakPolarHBondContact O-CB 3.49Å; V302-F305 PolarHBondContact O-N 3.47Å; F305-L307 VanDerWaalsContact C-N 3.34Å; F305-L307 PolarHBondContact O-N 3.32Å; F305-C308 PolarHBondContact O-N 3.47Å; F305-W309 AromaticContact CD2-CD1 3.31Å; F305-W309 HydrophobicContact CD2-CG 4.19Å; F305-W309 AromaticContact CD2-NE1 3.94Å; F305-W309 HydrophobicContact CE2-CB 4.1Å; F305-W309 AromaticContact CE2-CD1 3.15Å; F305-W309 AromaticContact CE2-CG 3.68Å; F305-W309 HydrophobicContact CE2-CG 3.68Å; F305-W309 AromaticContact CE2-NE1 3.73Å; F305-W309 HydrophobicContact CZ-CB 4.18Å; F305-W309 HydrophobicContact CZ-CG 4.21Å; F305-W309 PolarHBondContact O-N 3.18Å |
| 306 | I | 92.2 | Very high | 88.1 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 17% | 0.169 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | 178.4 | -65.6 | 169.8 | 0 | 0 | 0 | 110.2 | L216 L220 V302 G303 M304 C308 W309 L310 | L216-I306 HydrophobicContact CD1-CD1 3.65Å; L216-I306 HydrophobicContact CD1-CG1 3.56Å; L220-I306 HydrophobicContact CD2-CD1 3.88Å; V302-I306 HydrophobicContact CG1-CD1 3.96Å; V302-I306 HydrophobicContact CG1-CG1 4.49Å; V302-I306 VanDerWaalsContact O-CG1 3.32Å; V302-I306 WeakPolarHBondContact O-CG1 3.46Å; V302-I306 PolarHBondContact O-N 2.8Å; G303-I306 PolarHBondContact O-N 3.48Å; M304-I306 PolarHBondContact O-N 3.34Å; I306-C308 VanDerWaalsContact C-N 3.26Å; I306-C308 PolarHBondContact O-N 2.94Å; I306-W309 PolarHBondContact O-N 3.41Å; I306-L310 HydrophobicContact CG2-CB 4.14Å; I306-L310 HydrophobicContact CG2-CD2 4.09Å; I306-L310 WeakPolarHBondContact O-CB 3.48Å; I306-L310 PolarHBondContact O-N 2.83Å |
| 307 | L | 93.1 | Very high | 88.6 | Confident | 113 Ų | 113 | 33.5 Ų | 33.5 | 59% | 0.592 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -61 | -36.1 | 178.8 | -69.3 | 171.6 | 0 | 0 | 0 | 112.5 | G303 M304 F305 P311 | G303-L307 VanDerWaalsContact O-CG 3.31Å; G303-L307 WeakPolarHBondContact O-CG 3.45Å; G303-L307 PolarHBondContact O-N 3.05Å; G303-L307 VanDerWaalsContact O-N 3.09Å; M304-L307 PolarHBondContact O-N 3.13Å; M304-L307 HydrophobicContact SD-CD1 4.14Å; F305-L307 VanDerWaalsContact C-N 3.34Å; F305-L307 PolarHBondContact O-N 3.32Å; L307-P311 WeakPolarHBondContact O-CD 3.27Å |
| 308 | C | 93.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -75.6 | -43.3 | 179.3 | -76.1 | 0 | 0 | 0 | 0 | 113.3 | M304 F305 I306 L338 G339 N342 I345 | M304-C308 WeakPolarHBondContact O-CB 3.41Å; M304-C308 PolarHBondContact O-N 2.9Å; M304-C308 PolarHBondContact O-SG 3.38Å; F305-C308 PolarHBondContact O-N 3.47Å; I306-C308 VanDerWaalsContact C-N 3.26Å; I306-C308 PolarHBondContact O-N 2.94Å; C308-L338 WeakPolarHBondContact CB-O 3.26Å; C308-L338 PolarHBondContact SG-O 3Å; C308-G339 PolarHBondContact O-N 3.36Å; C308-N342 HydrophobicContact CB-CB 4Å; C308-I345 VanDerWaalsContact SG-CD1 3.56Å |
| 309 | W | 93.4 | Very high | 89.6 | Confident | 12 Ų | 12 | 35.9 Ų | 35.9 | 5% | 0.045 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -99.3 | -28.2 | -168.4 | -77.8 | 99.9 | 0 | 0 | 0 | 114.9 | C129 F212 F305 I306 P311 F312 F313 G339 N342 | C129-W309 HydrophobicContact CB-CH2 3.86Å; C129-W309 HydrophobicContact CB-CZ2 4.32Å; C129-W309 HydrophobicContact CB-CZ3 4.42Å; C129-W309 WeakPolarHBondContact SG-CH2 3.38Å; F212-W309 HydrophobicContact CD2-CB 4.19Å; F212-W309 HydrophobicContact CE2-CB 3.62Å; F212-W309 HydrophobicContact CZ-CB 4.42Å; F305-W309 AromaticContact CD2-CD1 3.31Å; F305-W309 HydrophobicContact CD2-CG 4.19Å; F305-W309 AromaticContact CD2-NE1 3.94Å; F305-W309 HydrophobicContact CE2-CB 4.1Å; F305-W309 AromaticContact CE2-CD1 3.15Å; F305-W309 AromaticContact CE2-CG 3.68Å; F305-W309 HydrophobicContact CE2-CG 3.68Å; F305-W309 AromaticContact CE2-NE1 3.73Å; F305-W309 HydrophobicContact CZ-CB 4.18Å; F305-W309 HydrophobicContact CZ-CG 4.21Å; F305-W309 PolarHBondContact O-N 3.18Å; I306-W309 PolarHBondContact O-N 3.41Å; W309-P311 VanDerWaalsContact C-CD 3.46Å; W309-F312 HydrophobicContact CE3-CD1 4.2Å; W309-F312 HydrophobicContact CZ3-CD1 4.07Å; W309-F312 PolarHBondContact O-N 3.22Å; W309-F313 HydrophobicContact CB-CD2 4.11Å; W309-F313 HydrophobicContact CB-CE2 4.25Å; W309-F313 HydrophobicContact CD2-CE2 4.02Å; W309-F313 AromaticContact CE3-CD2 3.94Å; W309-F313 HydrophobicContact CE3-CD2 3.94Å; W309-F313 AromaticContact CE3-CE2 3.32Å; W309-F313 HydrophobicContact CE3-CE2 3.32Å; W309-F313 HydrophobicContact CE3-CZ 4.16Å; W309-F313 HydrophobicContact CG-CE2 4.44Å; W309-F313 AromaticContact CZ3-CE2 3.99Å; W309-F313 HydrophobicContact CZ3-CE2 3.99Å; W309-F313 HydrophobicContact CZ3-CZ 4.42Å; W309-F313 WeakPolarHBondContact O-CD2 3.42Å; W309-F313 PolarHBondContact O-N 2.92Å; W309-F313 VanDerWaalsContact O-N 3.11Å; W309-G339 WeakPolarHBondContact CZ2-O 3.49Å; W309-G339 PolarHBondContact NE1-O 3.05Å; W309-N342 PolarHBondContact NE1-ND2 2.65Å |
| 310 | L | 93.6 | Very high | 89.8 | Confident | 68 Ų | 68 | 34.5 Ų | 34.5 | 36% | 0.356 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.4 | -42.4 | -178.6 | -178.4 | 65.7 | 0 | 0 | 0 | 113.2 | F212 I306 F312 L314 | F212-L310 HydrophobicContact CE1-CD1 3.74Å; F212-L310 HydrophobicContact CZ-CB 4.01Å; F212-L310 HydrophobicContact CZ-CD1 3.95Å; I306-L310 HydrophobicContact CG2-CB 4.14Å; I306-L310 HydrophobicContact CG2-CD2 4.09Å; I306-L310 WeakPolarHBondContact O-CB 3.48Å; I306-L310 PolarHBondContact O-N 2.83Å; L310-F312 PolarHBondContact O-N 3.02Å; L310-L314 VanDerWaalsContact O-CB 3.23Å; L310-L314 WeakPolarHBondContact O-CB 3.44Å; L310-L314 PolarHBondContact O-N 3.06Å |
| 311 | P | 94.1 | Very high | 89.8 | Confident | 36 Ų | 36 | 35.1 Ų | 35.1 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 178.6 | -24 | 36.1 | 0 | 0 | 0 | 112.1 | L307 W309 L314 F315 I335 L338 | L307-P311 WeakPolarHBondContact O-CD 3.27Å; W309-P311 VanDerWaalsContact C-CD 3.46Å; P311-L314 PolarHBondContact O-N 3.04Å; P311-F315 VanDerWaalsContact O-CD2 3.22Å; P311-F315 WeakPolarHBondContact O-CD2 3.5Å; P311-F315 PolarHBondContact O-N 3.41Å; P311-I335 HydrophobicContact CB-CG1 4.12Å; P311-I335 HydrophobicContact CB-CG2 3.95Å; P311-L338 HydrophobicContact CG-CD2 4.11Å |
| 312 | F | 91.7 | Very high | 90 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -50 | -179.3 | 177.6 | -102 | 0 | 0 | 0 | 111.8 | I197 W309 L310 L314 F315 L316 F332 I335 F336 | I197-F312 HydrophobicContact CD1-CZ 4.1Å; W309-F312 HydrophobicContact CE3-CD1 4.2Å; W309-F312 HydrophobicContact CZ3-CD1 4.07Å; W309-F312 PolarHBondContact O-N 3.22Å; L310-F312 PolarHBondContact O-N 3.02Å; F312-L314 PolarHBondContact O-N 2.86Å; F312-F315 PolarHBondContact O-N 3.33Å; F312-L316 HydrophobicContact CE1-CD2 3.95Å; F312-L316 HydrophobicContact CZ-CB 4.47Å; F312-L316 HydrophobicContact CZ-CD1 4.22Å; F312-L316 HydrophobicContact CZ-CD2 4.01Å; F312-L316 HydrophobicContact CZ-CG 4.47Å; F312-L316 VanDerWaalsContact O-CB 3.3Å; F312-L316 WeakPolarHBondContact O-CB 3.32Å; F312-L316 PolarHBondContact O-N 2.98Å; F312-F332 HydrophobicContact CE2-CZ 4.29Å; F312-I335 HydrophobicContact CB-CG2 3.71Å; F312-I335 HydrophobicContact CD2-CG2 4.31Å; F312-I335 VanDerWaalsContact N-CG2 3.3Å; F312-F336 HydrophobicContact CD2-CD2 4.14Å; F312-F336 AromaticContact CE2-CD2 3.67Å; F312-F336 HydrophobicContact CE2-CD2 3.67Å; F312-F336 HydrophobicContact CE2-CE2 4.16Å; F312-F336 HydrophobicContact CZ-CD2 4.41Å; F312-F336 HydrophobicContact CZ-CE2 4.5Å |
| 313 | F | 92.1 | Very high | 89.9 | Confident | 11 Ų | 11 | 45 Ų | 45 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.4 | -16.5 | -179.6 | -75.4 | -71.2 | 0 | 0 | 0 | 113.8 | I133 F212 Y213 W309 P317 | I133-F313 HydrophobicContact CD1-CE2 3.68Å; I133-F313 HydrophobicContact CD1-CZ 3.75Å; F212-F313 HydrophobicContact CB-CB 4.13Å; F212-F313 HydrophobicContact CB-CD1 3.59Å; F212-F313 HydrophobicContact CB-CD2 3.53Å; F212-F313 HydrophobicContact CB-CE1 3.77Å; F212-F313 HydrophobicContact CB-CE2 3.7Å; F212-F313 HydrophobicContact CB-CG 3.46Å; F212-F313 VanDerWaalsContact CB-CG 3.46Å; F212-F313 HydrophobicContact CB-CZ 3.83Å; F212-F313 HydrophobicContact CD1-CB 3.36Å; F212-F313 HydrophobicContact CD1-CD1 4.45Å; F212-F313 AromaticContact CD1-CD2 3.82Å; F212-F313 HydrophobicContact CD1-CD2 3.82Å; F212-F313 AromaticContact CD1-CG 3.64Å; F212-F313 HydrophobicContact CD1-CG 3.64Å; F212-F313 HydrophobicContact CD2-CB 4.39Å; F212-F313 AromaticContact CD2-CD2 3.23Å; F212-F313 HydrophobicContact CD2-CD2 3.23Å; F212-F313 AromaticContact CD2-CE2 3.58Å; F212-F313 HydrophobicContact CD2-CE2 3.58Å; F212-F313 AromaticContact CD2-CG 3.92Å; F212-F313 HydrophobicContact CD2-CG 3.92Å; F212-F313 HydrophobicContact CE1-CB 3.78Å; F212-F313 HydrophobicContact CE1-CD2 4.32Å; F212-F313 HydrophobicContact CE1-CG 4.33Å; F212-F313 AromaticContact CE2-CD2 3.82Å; F212-F313 HydrophobicContact CE2-CD2 3.82Å; F212-F313 HydrophobicContact CE2-CE2 4.4Å; F212-F313 HydrophobicContact CG-CB 3.71Å; F212-F313 HydrophobicContact CG-CD1 4.07Å; F212-F313 AromaticContact CG-CD2 3.23Å; F212-F313 HydrophobicContact CG-CD2 3.23Å; F212-F313 AromaticContact CG-CE2 3.78Å; F212-F313 HydrophobicContact CG-CE2 3.78Å; F212-F313 AromaticContact CG-CG 3.39Å; F212-F313 HydrophobicContact CG-CG 3.39Å; F212-F313 HydrophobicContact CG-CZ 4.4Å; F212-F313 HydrophobicContact CZ-CB 4.45Å; F212-F313 HydrophobicContact CZ-CD2 4.31Å; Y213-F313 PolarHBondContact OH-O 3.24Å; W309-F313 HydrophobicContact CB-CD2 4.11Å; W309-F313 HydrophobicContact CB-CE2 4.25Å; W309-F313 HydrophobicContact CD2-CE2 4.02Å; W309-F313 AromaticContact CE3-CD2 3.94Å; W309-F313 HydrophobicContact CE3-CD2 3.94Å; W309-F313 AromaticContact CE3-CE2 3.32Å; W309-F313 HydrophobicContact CE3-CE2 3.32Å; W309-F313 HydrophobicContact CE3-CZ 4.16Å; W309-F313 HydrophobicContact CG-CE2 4.44Å; W309-F313 AromaticContact CZ3-CE2 3.99Å; W309-F313 HydrophobicContact CZ3-CE2 3.99Å; W309-F313 HydrophobicContact CZ3-CZ 4.42Å; W309-F313 WeakPolarHBondContact O-CD2 3.42Å; W309-F313 PolarHBondContact O-N 2.92Å; W309-F313 VanDerWaalsContact O-N 3.11Å; F313-P317 WeakPolarHBondContact O-CD 3.41Å; F313-P317 WeakPolarHBondContact O-CG 3.33Å |
| 314 | L | 91.3 | Very high | 89.6 | Confident | 68 Ų | 68 | 48.5 Ų | 48.5 | 36% | 0.356 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -76.8 | -50 | 170 | -176.6 | 139.4 | 0 | 0 | 0 | 111 | L310 P311 F312 L318 | L310-L314 VanDerWaalsContact O-CB 3.23Å; L310-L314 WeakPolarHBondContact O-CB 3.44Å; L310-L314 PolarHBondContact O-N 3.06Å; P311-L314 PolarHBondContact O-N 3.04Å; F312-L314 PolarHBondContact O-N 2.86Å; L314-L318 HydrophobicContact CD2-CD1 3.7Å; L314-L318 HydrophobicContact CG-CD1 3.88Å; L314-L318 VanDerWaalsContact O-CB 3.31Å; L314-L318 WeakPolarHBondContact O-CB 3.06Å; L314-L318 VanDerWaalsContact O-CD1 3.29Å; L314-L318 WeakPolarHBondContact O-CD1 3.41Å; L314-L318 WeakPolarHBondContact O-CG 3.33Å; L314-L318 PolarHBondContact O-N 2.81Å |
| 315 | F | 90.4 | Very high | 89.4 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -79.1 | -26.3 | -174.5 | -74.2 | -71.2 | 0 | 0 | 0 | 114.4 | P311 F312 G319 P327 I335 | P311-F315 VanDerWaalsContact O-CD2 3.22Å; P311-F315 WeakPolarHBondContact O-CD2 3.5Å; P311-F315 PolarHBondContact O-N 3.41Å; F312-F315 PolarHBondContact O-N 3.33Å; F315-G319 WeakPolarHBondContact O-CA 3.43Å; F315-G319 PolarHBondContact O-N 2.93Å; F315-P327 HydrophobicContact CD1-CG 4.12Å; F315-P327 HydrophobicContact CG-CG 4.3Å; F315-I335 HydrophobicContact CD2-CD1 3.52Å; F315-I335 HydrophobicContact CE2-CD1 3.8Å; F315-I335 HydrophobicContact CG-CD1 4.32Å |
| 316 | L | 88.2 | Confident | 89 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.4 | -60.9 | 178.9 | 179.4 | 74.7 | 0 | 0 | 0 | 112.6 | F312 S320 | F312-L316 HydrophobicContact CE1-CD2 3.95Å; F312-L316 HydrophobicContact CZ-CB 4.47Å; F312-L316 HydrophobicContact CZ-CD1 4.22Å; F312-L316 HydrophobicContact CZ-CD2 4.01Å; F312-L316 HydrophobicContact CZ-CG 4.47Å; F312-L316 VanDerWaalsContact O-CB 3.3Å; F312-L316 WeakPolarHBondContact O-CB 3.32Å; F312-L316 PolarHBondContact O-N 2.98Å; L316-S320 WeakPolarHBondContact O-CB 3.47Å; L316-S320 PolarHBondContact O-N 3.33Å |
| 317 | P | 88.6 | Confident | 88.7 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 5% | 0.045 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.7 | -37.8 | 177.6 | 27.1 | -34.1 | 0 | 0 | 0 | 111.8 | F313 G319 S320 F321 | F313-P317 WeakPolarHBondContact O-CD 3.41Å; F313-P317 WeakPolarHBondContact O-CG 3.33Å; P317-G319 PolarHBondContact O-N 2.93Å; P317-S320 WeakPolarHBondContact O-CB 3.41Å; P317-S320 PolarHBondContact O-N 2.91Å; P317-F321 WeakPolarHBondContact O-CD2 3.29Å; P317-F321 PolarHBondContact O-N 3.17Å |
| 318 | L | 88.1 | Confident | 88.5 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 36% | 0.356 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 179.1 | -75.4 | 176.2 | 0 | 0 | 0 | 112.5 | L314 S320 F321 F322 | L314-L318 HydrophobicContact CD2-CD1 3.7Å; L314-L318 HydrophobicContact CG-CD1 3.88Å; L314-L318 VanDerWaalsContact O-CB 3.31Å; L314-L318 WeakPolarHBondContact O-CB 3.06Å; L314-L318 VanDerWaalsContact O-CD1 3.29Å; L314-L318 WeakPolarHBondContact O-CD1 3.41Å; L314-L318 WeakPolarHBondContact O-CG 3.33Å; L314-L318 PolarHBondContact O-N 2.81Å; L318-S320 VanDerWaalsContact C-N 3.26Å; L318-S320 PolarHBondContact O-N 3.04Å; L318-F321 PolarHBondContact O-N 3.28Å; L318-F322 HydrophobicContact CD2-CD2 4.42Å; L318-F322 WeakPolarHBondContact O-CA 3.35Å; L318-F322 WeakPolarHBondContact O-CB 3.47Å; L318-F322 PolarHBondContact O-N 3.34Å |
| 319 | G | 85.3 | Confident | 88 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 8% | 0.082 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.3 | -31.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F315 P317 F322 | F315-G319 WeakPolarHBondContact O-CA 3.43Å; F315-G319 PolarHBondContact O-N 2.93Å; P317-G319 PolarHBondContact O-N 2.93Å; G319-F322 CarbonylContact O-C 3.55Å |
| 320 | S | 85.4 | Confident | 87.6 | Confident | 18 Ų | 18 | 63 Ų | 63 | 13% | 0.126 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.5 | -44.3 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 113.2 | E199 P201 L316 P317 L318 | E199-S320 VanDerWaalsContact O-CB 3.26Å; E199-S320 WeakPolarHBondContact O-CB 3.16Å; E199-S320 PolarHBondContact O-OG 3.49Å; P201-S320 WeakPolarHBondContact CA-OG 3.01Å; P201-S320 WeakPolarHBondContact CB-OG 3.36Å; L316-S320 WeakPolarHBondContact O-CB 3.47Å; L316-S320 PolarHBondContact O-N 3.33Å; P317-S320 WeakPolarHBondContact O-CB 3.41Å; P317-S320 PolarHBondContact O-N 2.91Å; L318-S320 VanDerWaalsContact C-N 3.26Å; L318-S320 PolarHBondContact O-N 3.04Å |
| 321 | F | 86.7 | Confident | 87.4 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -78.4 | -33.1 | 176.9 | -73.8 | -73.1 | 0 | 0 | 0 | 113.5 | P201 L205 P317 L318 | P201-F321 HydrophobicContact CB-CD1 4.03Å; P201-F321 HydrophobicContact CB-CE1 3.71Å; P201-F321 HydrophobicContact CB-CE2 4.49Å; P201-F321 HydrophobicContact CB-CZ 3.94Å; L205-F321 HydrophobicContact CB-CE2 3.99Å; L205-F321 HydrophobicContact CB-CZ 4.07Å; L205-F321 HydrophobicContact CD1-CE2 4.39Å; L205-F321 HydrophobicContact CD2-CE2 4.23Å; L205-F321 HydrophobicContact CD2-CZ 3.92Å; L205-F321 HydrophobicContact CG-CE2 4.43Å; L205-F321 HydrophobicContact CG-CZ 4.5Å; P317-F321 WeakPolarHBondContact O-CD2 3.29Å; P317-F321 PolarHBondContact O-N 3.17Å; L318-F321 PolarHBondContact O-N 3.28Å |
| 322 | F | 88.3 | Confident | 87.1 | Confident | 118 Ų | 118 | 63.4 Ų | 63.4 | 52% | 0.518 | 35% | 0.353 | S | S | . | . | trans | -128.6 | 85.4 | -175.9 | -56.5 | -77 | 0 | 0 | 0 | 110 | L318 G319 A324 L325 | L318-F322 HydrophobicContact CD2-CD2 4.42Å; L318-F322 WeakPolarHBondContact O-CA 3.35Å; L318-F322 WeakPolarHBondContact O-CB 3.47Å; L318-F322 PolarHBondContact O-N 3.34Å; G319-F322 CarbonylContact O-C 3.55Å; F322-A324 PolarHBondContact O-N 3.19Å; F322-L325 HydrophobicContact CB-CB 4.23Å; F322-L325 HydrophobicContact CB-CD1 3.81Å; F322-L325 HydrophobicContact CB-CG 4.09Å; F322-L325 HydrophobicContact CD2-CD1 4.34Å; F322-L325 HydrophobicContact CG-CD1 4.16Å; F322-L325 PolarHBondContact O-N 2.98Å | ||
| 323 | P | 82.8 | Confident | 86.9 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -55.4 | -28.6 | 179.6 | -28 | 35.6 | 0 | 0 | 0 | 113.7 | L325 K326 | P323-L325 VanDerWaalsContact C-N 3.26Å; P323-L325 PolarHBondContact O-N 3.24Å; P323-K326 WeakPolarHBondContact O-CB 3.41Å; P323-K326 PolarHBondContact O-N 3.22Å |
| 324 | A | 83.1 | Confident | 86.8 | Confident | 103 Ų | 103 | 72.3 Ų | 72.3 | 85% | 0.851 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -67.9 | -19.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | F322 | F322-A324 PolarHBondContact O-N 3.19Š|
| 325 | L | 84.4 | Confident | 86.8 | Confident | 109 Ų | 109 | 69.6 Ų | 69.6 | 57% | 0.571 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -95.6 | 3.9 | 177.8 | -66.7 | 174.8 | 0 | 0 | 0 | 112.6 | F322 P323 | F322-L325 HydrophobicContact CB-CB 4.23Å; F322-L325 HydrophobicContact CB-CD1 3.81Å; F322-L325 HydrophobicContact CB-CG 4.09Å; F322-L325 HydrophobicContact CD2-CD1 4.34Å; F322-L325 HydrophobicContact CG-CD1 4.16Å; F322-L325 PolarHBondContact O-N 2.98Å; P323-L325 VanDerWaalsContact C-N 3.26Å; P323-L325 PolarHBondContact O-N 3.24Å |
| 326 | K | 81.8 | Confident | 86.8 | Confident | 96 Ų | 96 | 68 Ų | 68 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 124.7 | -179.6 | -165.6 | 167.2 | -174.7 | 161.7 | 0 | 109.3 | E199 P323 | E199-K326 IonicContact OE1-NZ 2.69Å; E199-K326 PolarHBondContact OE1-NZ 2.78Å; E199-K326 IonicContact OE2-NZ 2.8Å; E199-K326 PolarHBondContact OE2-NZ 3.08Å; P323-K326 WeakPolarHBondContact O-CB 3.41Å; P323-K326 PolarHBondContact O-N 3.22Å |
| 327 | P | 86.3 | Confident | 87 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 17% | 0.169 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 161.7 | 177 | 27.2 | -33.8 | 0 | 0 | 0 | 110.6 | F315 V331 F332 | F315-P327 HydrophobicContact CD1-CG 4.12Å; F315-P327 HydrophobicContact CG-CG 4.3Å; P327-V331 HydrophobicContact CB-CB 4.04Å; P327-V331 HydrophobicContact CB-CG1 3.76Å; P327-F332 HydrophobicContact CG-CB 4.32Å; P327-F332 HydrophobicContact CG-CD2 4.37Å |
| 328 | S | 88.5 | Confident | 87.3 | Confident | 74 Ų | 74 | 71 Ų | 71 | 52% | 0.517 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 152.7 | 172.8 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | S330 V331 F332 | S328-S330 VanDerWaalsContact C-N 3.26Å; S328-S330 PolarHBondContact O-N 3.31Å; S328-V331 PolarHBondContact O-N 3.43Å; S328-V331 WeakPolarHBondContact OG-CG2 3.43Å; S328-F332 PolarHBondContact O-N 3.42Å |
| 329 | E | 83.2 | Confident | 87.5 | Confident | 133 Ų | 133 | 67.7 Ų | 67.7 | 62% | 0.621 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -53.6 | -42.4 | -175.6 | -166.8 | -170.8 | 148.3 | 0 | 0 | 112.4 | V331 F332 K333 | E329-V331 VanDerWaalsContact C-N 3.33Å; E329-V331 PolarHBondContact O-N 3.41Å; E329-F332 PolarHBondContact O-N 3.29Å; E329-K333 HydrophobicContact CG-CD 4.4Å; E329-K333 WeakPolarHBondContact O-CB 3.46Å; E329-K333 WeakPolarHBondContact O-CG 3.28Å; E329-K333 PolarHBondContact O-N 3.4Å; E329-K333 WeakPolarHBondContact OE1-CE 2.92Å; E329-K333 IonicContact OE1-NZ 3.33Å; E329-K333 PolarHBondContact OE1-NZ 3.04Å; E329-K333 VanDerWaalsContact OE1-NZ 3.12Å |
| 330 | S | 85.9 | Confident | 87.9 | Confident | 93 Ų | 93 | 67.4 Ų | 67.4 | 65% | 0.65 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.8 | -38.3 | 177.2 | -45.4 | 0 | 0 | 0 | 0 | 113 | S328 F334 | S328-S330 VanDerWaalsContact C-N 3.26Å; S328-S330 PolarHBondContact O-N 3.31Å; S330-F334 PolarHBondContact O-N 3.1Å |
| 331 | V | 89.3 | Confident | 88.2 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 40% | 0.4 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.1 | -40.9 | 178.6 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | P327 S328 E329 F334 I335 | P327-V331 HydrophobicContact CB-CB 4.04Å; P327-V331 HydrophobicContact CB-CG1 3.76Å; S328-V331 PolarHBondContact O-N 3.43Å; S328-V331 WeakPolarHBondContact OG-CG2 3.43Å; E329-V331 VanDerWaalsContact C-N 3.33Å; E329-V331 PolarHBondContact O-N 3.41Å; V331-F334 PolarHBondContact O-N 3.29Å; V331-I335 HydrophobicContact CG1-CD1 3.74Å; V331-I335 HydrophobicContact CG1-CG1 4.48Å; V331-I335 WeakPolarHBondContact O-CB 3.3Å; V331-I335 WeakPolarHBondContact O-CD1 3.39Å; V331-I335 VanDerWaalsContact O-CG1 3.28Å; V331-I335 WeakPolarHBondContact O-CG1 3.47Å; V331-I335 PolarHBondContact O-N 3.16Å |
| 332 | F | 87.1 | Confident | 88.4 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 21% | 0.211 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.1 | -171.9 | -96.9 | 0 | 0 | 0 | 111.6 | F312 P327 S328 E329 F334 I335 F336 | F312-F332 HydrophobicContact CE2-CZ 4.29Å; P327-F332 HydrophobicContact CG-CB 4.32Å; P327-F332 HydrophobicContact CG-CD2 4.37Å; S328-F332 PolarHBondContact O-N 3.42Å; E329-F332 PolarHBondContact O-N 3.29Å; F332-F334 PolarHBondContact O-N 3.17Å; F332-I335 PolarHBondContact O-N 3.23Å; F332-F336 WeakPolarHBondContact O-CB 3.43Å; F332-F336 PolarHBondContact O-N 2.95Å |
| 333 | K | 87.6 | Confident | 88.6 | Confident | 69 Ų | 69 | 61.1 Ų | 61.1 | 30% | 0.3 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 174.3 | -74.4 | 175 | 171.6 | -170 | 0 | 112.1 | E106 E329 I335 F336 W337 | E106-K333 WeakPolarHBondContact OE1-CD 3.46Å; E106-K333 WeakPolarHBondContact OE1-CE 3.37Å; E106-K333 IonicContact OE1-NZ 3.12Å; E106-K333 PolarHBondContact OE1-NZ 3.42Å; E106-K333 IonicContact OE2-NZ 2.82Å; E329-K333 HydrophobicContact CG-CD 4.4Å; E329-K333 WeakPolarHBondContact O-CB 3.46Å; E329-K333 WeakPolarHBondContact O-CG 3.28Å; E329-K333 PolarHBondContact O-N 3.4Å; E329-K333 WeakPolarHBondContact OE1-CE 2.92Å; E329-K333 IonicContact OE1-NZ 3.33Å; E329-K333 PolarHBondContact OE1-NZ 3.04Å; E329-K333 VanDerWaalsContact OE1-NZ 3.12Å; K333-I335 PolarHBondContact O-N 3.21Å; K333-F336 WeakPolarHBondContact O-CB 3.41Å; K333-F336 PolarHBondContact O-N 3.2Å; K333-W337 VanDerWaalsContact O-CD1 3.28Å; K333-W337 PolarHBondContact O-N 3.49Å |
| 334 | F | 90.6 | Very high | 89 | Confident | 141 Ų | 141 | 56.8 Ų | 56.8 | 62% | 0.618 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.9 | -46.7 | 176.1 | 177.9 | -95.1 | 0 | 0 | 0 | 111.9 | S330 V331 F332 F336 W337 L338 | S330-F334 PolarHBondContact O-N 3.1Å; V331-F334 PolarHBondContact O-N 3.29Å; F332-F334 PolarHBondContact O-N 3.17Å; F334-F336 VanDerWaalsContact C-N 3.31Å; F334-F336 PolarHBondContact O-N 3.01Å; F334-W337 PolarHBondContact O-N 3.45Å; F334-L338 HydrophobicContact CE1-CD2 4.23Å; F334-L338 WeakPolarHBondContact O-CB 3.11Å; F334-L338 PolarHBondContact O-N 3.34Å |
| 335 | I | 91.9 | Very high | 89.4 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 177.9 | -72.8 | 163.6 | 0 | 0 | 0 | 111.4 | P311 F312 F315 V331 F332 K333 L338 G339 | P311-I335 HydrophobicContact CB-CG1 4.12Å; P311-I335 HydrophobicContact CB-CG2 3.95Å; F312-I335 HydrophobicContact CB-CG2 3.71Å; F312-I335 HydrophobicContact CD2-CG2 4.31Å; F312-I335 VanDerWaalsContact N-CG2 3.3Å; F315-I335 HydrophobicContact CD2-CD1 3.52Å; F315-I335 HydrophobicContact CE2-CD1 3.8Å; F315-I335 HydrophobicContact CG-CD1 4.32Å; V331-I335 HydrophobicContact CG1-CD1 3.74Å; V331-I335 HydrophobicContact CG1-CG1 4.48Å; V331-I335 WeakPolarHBondContact O-CB 3.3Å; V331-I335 WeakPolarHBondContact O-CD1 3.39Å; V331-I335 VanDerWaalsContact O-CG1 3.28Å; V331-I335 WeakPolarHBondContact O-CG1 3.47Å; V331-I335 PolarHBondContact O-N 3.16Å; F332-I335 PolarHBondContact O-N 3.23Å; K333-I335 PolarHBondContact O-N 3.21Å; I335-L338 WeakPolarHBondContact O-CB 3.47Å; I335-L338 PolarHBondContact O-N 2.97Å; I335-G339 PolarHBondContact O-N 3.29Å |
| 336 | F | 90.2 | Very high | 89.5 | Confident | 32 Ų | 32 | 47.4 Ų | 47.4 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -52.8 | 178.4 | -169.7 | -107.1 | 0 | 0 | 0 | 111.7 | I197 F312 F332 K333 F334 L338 G339 Y340 | I197-F336 HydrophobicContact CD1-CE2 3.73Å; I197-F336 HydrophobicContact CD1-CZ 4.32Å; F312-F336 HydrophobicContact CD2-CD2 4.14Å; F312-F336 AromaticContact CE2-CD2 3.67Å; F312-F336 HydrophobicContact CE2-CD2 3.67Å; F312-F336 HydrophobicContact CE2-CE2 4.16Å; F312-F336 HydrophobicContact CZ-CD2 4.41Å; F312-F336 HydrophobicContact CZ-CE2 4.5Å; F332-F336 WeakPolarHBondContact O-CB 3.43Å; F332-F336 PolarHBondContact O-N 2.95Å; K333-F336 WeakPolarHBondContact O-CB 3.41Å; K333-F336 PolarHBondContact O-N 3.2Å; F334-F336 VanDerWaalsContact C-N 3.31Å; F334-F336 PolarHBondContact O-N 3.01Å; F336-L338 VanDerWaalsContact C-N 3.28Å; F336-L338 PolarHBondContact O-N 2.89Å; F336-G339 PolarHBondContact O-N 2.76Å; F336-G339 VanDerWaalsContact O-N 3.13Å; F336-Y340 HydrophobicContact CD1-CD2 4.35Å; F336-Y340 AromaticContact CD1-CE2 3.77Å; F336-Y340 HydrophobicContact CD1-CE2 3.77Å; F336-Y340 HydrophobicContact CE1-CD2 4.24Å; F336-Y340 AromaticContact CE1-CE2 3.25Å; F336-Y340 HydrophobicContact CE1-CE2 3.25Å; F336-Y340 AromaticContact CE1-CZ 3.55Å; F336-Y340 WeakPolarHBondContact CE1-OH 3.41Å; F336-Y340 AromaticContact CZ-CE2 3.81Å; F336-Y340 HydrophobicContact CZ-CE2 3.81Å; F336-Y340 AromaticContact CZ-CZ 3.56Å; F336-Y340 WeakPolarHBondContact CZ-OH 3.2Å; F336-Y340 PolarHBondContact O-N 2.69Å |
| 337 | W | 92.5 | Very high | 89.9 | Confident | 39 Ų | 39 | 43.3 Ų | 43.3 | 15% | 0.148 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.8 | -28 | 177.3 | -78.4 | 103.2 | 0 | 0 | 0 | 113.1 | L52 F55 L99 A103 K333 F334 G339 Y340 F341 | L52-W337 HydrophobicContact CD1-CH2 4.13Å; L52-W337 HydrophobicContact CD1-CZ2 3.8Å; L52-W337 HydrophobicContact CD2-CD2 3.96Å; L52-W337 HydrophobicContact CD2-CE3 3.83Å; L52-W337 HydrophobicContact CD2-CH2 3.58Å; L52-W337 HydrophobicContact CD2-CZ2 3.68Å; L52-W337 HydrophobicContact CD2-CZ3 3.64Å; L52-W337 HydrophobicContact CG-CH2 4.34Å; L52-W337 HydrophobicContact CG-CZ2 4.36Å; F55-W337 HydrophobicContact CD1-CE3 4.21Å; F55-W337 AromaticContact CD1-CZ3 3.84Å; F55-W337 HydrophobicContact CD1-CZ3 3.84Å; F55-W337 AromaticContact CE1-CE3 3.9Å; F55-W337 HydrophobicContact CE1-CE3 3.9Å; F55-W337 AromaticContact CE1-CZ3 3.72Å; F55-W337 HydrophobicContact CE1-CZ3 3.72Å; L99-W337 HydrophobicContact CD2-CZ3 4.33Å; A103-W337 HydrophobicContact CB-CH2 4.09Å; A103-W337 HydrophobicContact CB-CZ2 4.46Å; K333-W337 VanDerWaalsContact O-CD1 3.28Å; K333-W337 PolarHBondContact O-N 3.49Å; F334-W337 PolarHBondContact O-N 3.45Å; W337-G339 VanDerWaalsContact C-N 3.31Å; W337-G339 PolarHBondContact O-N 3.46Å; W337-Y340 HydrophobicContact CD2-CD2 4.32Å; W337-Y340 AromaticContact CE3-CD2 3.89Å; W337-Y340 HydrophobicContact CE3-CD2 3.89Å; W337-Y340 HydrophobicContact CZ3-CD2 4.08Å; W337-Y340 PolarHBondContact O-N 2.92Å; W337-F341 PolarHBondContact O-N 3.43Å |
| 338 | L | 93.8 | Very high | 90.1 | Very high | 43 Ų | 43 | 46.2 Ų | 46.2 | 23% | 0.225 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -36.3 | 172.7 | 179.9 | 64.7 | 0 | 0 | 0 | 112 | C308 P311 F334 I335 F336 F341 | C308-L338 WeakPolarHBondContact CB-O 3.26Å; C308-L338 PolarHBondContact SG-O 3Å; P311-L338 HydrophobicContact CG-CD2 4.11Å; F334-L338 HydrophobicContact CE1-CD2 4.23Å; F334-L338 WeakPolarHBondContact O-CB 3.11Å; F334-L338 PolarHBondContact O-N 3.34Å; I335-L338 WeakPolarHBondContact O-CB 3.47Å; I335-L338 PolarHBondContact O-N 2.97Å; F336-L338 VanDerWaalsContact C-N 3.28Å; F336-L338 PolarHBondContact O-N 2.89Å; L338-F341 WeakPolarHBondContact O-CB 3.34Å; L338-F341 PolarHBondContact O-N 3.05Å |
| 339 | G | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | C308 W309 I335 F336 W337 F341 N342 | C308-G339 PolarHBondContact O-N 3.36Å; W309-G339 WeakPolarHBondContact CZ2-O 3.49Å; W309-G339 PolarHBondContact NE1-O 3.05Å; I335-G339 PolarHBondContact O-N 3.29Å; F336-G339 PolarHBondContact O-N 2.76Å; F336-G339 VanDerWaalsContact O-N 3.13Å; W337-G339 VanDerWaalsContact C-N 3.31Å; W337-G339 PolarHBondContact O-N 3.46Å; G339-F341 VanDerWaalsContact C-N 3.26Å; G339-F341 PolarHBondContact O-N 3.45Å; G339-N342 WeakPolarHBondContact O-CB 3.42Å; G339-N342 PolarHBondContact O-N 3.21Å |
| 340 | Y | 93.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -29.4 | 176.8 | -64.7 | -25 | 0 | 0 | 0 | 113.8 | L94 V98 L99 D125 F336 W337 N342 S343 | L94-Y340 HydrophobicContact CD1-CE1 4.11Å; L94-Y340 HydrophobicContact CD2-CD1 3.99Å; L94-Y340 HydrophobicContact CD2-CE1 4.41Å; V98-Y340 WeakPolarHBondContact CG1-OH 3.47Å; L99-Y340 HydrophobicContact CD2-CD1 3.96Å; L99-Y340 HydrophobicContact CD2-CD2 3.33Å; L99-Y340 HydrophobicContact CD2-CE1 4.34Å; L99-Y340 HydrophobicContact CD2-CE2 3.74Å; L99-Y340 HydrophobicContact CD2-CG 3.43Å; L99-Y340 VanDerWaalsContact CD2-CG 3.43Å; D125-Y340 WeakPolarHBondContact OD1-CE1 3.37Å; D125-Y340 PolarHBondContact OD1-OH 2.82Å; D125-Y340 PolarHBondContact OD2-OH 3.3Å; F336-Y340 HydrophobicContact CD1-CD2 4.35Å; F336-Y340 AromaticContact CD1-CE2 3.77Å; F336-Y340 HydrophobicContact CD1-CE2 3.77Å; F336-Y340 HydrophobicContact CE1-CD2 4.24Å; F336-Y340 AromaticContact CE1-CE2 3.25Å; F336-Y340 HydrophobicContact CE1-CE2 3.25Å; F336-Y340 AromaticContact CE1-CZ 3.55Å; F336-Y340 WeakPolarHBondContact CE1-OH 3.41Å; F336-Y340 AromaticContact CZ-CE2 3.81Å; F336-Y340 HydrophobicContact CZ-CE2 3.81Å; F336-Y340 AromaticContact CZ-CZ 3.56Å; F336-Y340 WeakPolarHBondContact CZ-OH 3.2Å; F336-Y340 PolarHBondContact O-N 2.69Å; W337-Y340 HydrophobicContact CD2-CD2 4.32Å; W337-Y340 AromaticContact CE3-CD2 3.89Å; W337-Y340 HydrophobicContact CE3-CD2 3.89Å; W337-Y340 HydrophobicContact CZ3-CD2 4.08Å; W337-Y340 PolarHBondContact O-N 2.92Å; Y340-N342 PolarHBondContact O-N 3.43Å; Y340-N342 VanDerWaalsContact O-N 3.1Å; Y340-S343 WeakPolarHBondContact O-CB 3.49Å; Y340-S343 PolarHBondContact O-N 3.01Å |
| 341 | F | 92.3 | Very high | 90.4 | Very high | 97 Ų | 97 | 34 Ų | 34 | 43% | 0.425 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.4 | -24.3 | 176.7 | -173.3 | -106.7 | 0 | 0 | 0 | 112.8 | F55 W337 L338 G339 S343 C344 I345 | F55-F341 HydrophobicContact CD2-CD2 4.28Å; F55-F341 HydrophobicContact CE2-CB 4.27Å; F55-F341 AromaticContact CE2-CD2 3.69Å; F55-F341 HydrophobicContact CE2-CD2 3.69Å; F55-F341 HydrophobicContact CE2-CG 4.44Å; W337-F341 PolarHBondContact O-N 3.43Å; L338-F341 WeakPolarHBondContact O-CB 3.34Å; L338-F341 PolarHBondContact O-N 3.05Å; G339-F341 VanDerWaalsContact C-N 3.26Å; G339-F341 PolarHBondContact O-N 3.45Å; F341-S343 PolarHBondContact O-N 3.04Å; F341-C344 HydrophobicContact CD2-CB 4.47Å; F341-C344 WeakPolarHBondContact O-CB 3.3Å; F341-C344 PolarHBondContact O-N 2.92Å; F341-I345 HydrophobicContact CD1-CD1 3.44Å; F341-I345 VanDerWaalsContact CD1-CD1 3.44Å; F341-I345 HydrophobicContact CD1-CG1 3.71Å; F341-I345 HydrophobicContact CE1-CD1 3.48Å; F341-I345 VanDerWaalsContact CE1-CD1 3.48Å; F341-I345 HydrophobicContact CE1-CG1 3.46Å; F341-I345 VanDerWaalsContact CE1-CG1 3.46Å; F341-I345 HydrophobicContact CZ-CG1 4.14Å; F341-I345 WeakPolarHBondContact O-CG1 3.44Å; F341-I345 PolarHBondContact O-N 3.31Å |
| 342 | N | 91.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52 | -39.9 | 172 | -173.6 | 64.1 | 0 | 0 | 0 | 113.2 | C308 W309 G339 Y340 C344 I345 N346 | C308-N342 HydrophobicContact CB-CB 4Å; W309-N342 PolarHBondContact NE1-ND2 2.65Å; G339-N342 WeakPolarHBondContact O-CB 3.42Å; G339-N342 PolarHBondContact O-N 3.21Å; Y340-N342 PolarHBondContact O-N 3.43Å; Y340-N342 VanDerWaalsContact O-N 3.1Å; N342-C344 PolarHBondContact O-N 2.85Å; N342-I345 PolarHBondContact O-N 2.87Å; N342-I345 VanDerWaalsContact O-N 3.16Å; N342-N346 PolarHBondContact O-N 3.27Å; N342-N346 PolarHBondContact O-ND2 2.8Å |
| 343 | S | 91 | Very high | 89.7 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -25 | -179.7 | -59.7 | 0 | 0 | 0 | 0 | 113.3 | N63 L94 Y340 F341 P347 | N63-S343 PolarHBondContact ND2-O 3.32Å; L94-S343 WeakPolarHBondContact CD2-OG 3.16Å; Y340-S343 WeakPolarHBondContact O-CB 3.49Å; Y340-S343 PolarHBondContact O-N 3.01Å; F341-S343 PolarHBondContact O-N 3.04Å; S343-P347 VanDerWaalsContact O-CD 3.28Å; S343-P347 WeakPolarHBondContact O-CD 3.44Å |
| 344 | C | 91.7 | Very high | 89.3 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -85.1 | -29.9 | 175.3 | -69.7 | 0 | 0 | 0 | 0 | 112.6 | F55 V58 A59 F341 N342 | F55-C344 HydrophobicContact CE2-CB 4.11Å; F55-C344 WeakPolarHBondContact CE2-SG 3.49Å; V58-C344 HydrophobicContact CG1-CB 4.49Å; A59-C344 VanDerWaalsContact CB-SG 3.52Å; F341-C344 HydrophobicContact CD2-CB 4.47Å; F341-C344 WeakPolarHBondContact O-CB 3.3Å; F341-C344 PolarHBondContact O-N 2.92Å; N342-C344 PolarHBondContact O-N 2.85Å |
| 345 | I | 91.1 | Very high | 88.9 | Confident | 15 Ų | 15 | 31.2 Ų | 31.2 | 8% | 0.077 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69 | -41.3 | -179.6 | -69.4 | 172 | 0 | 0 | 0 | 110.8 | M304 C308 F341 N342 V348 I349 | M304-I345 HydrophobicContact CB-CD1 4.3Å; M304-I345 HydrophobicContact CB-CG2 4.03Å; M304-I345 HydrophobicContact CE-CD1 3.75Å; M304-I345 HydrophobicContact CG-CG2 4.24Å; C308-I345 VanDerWaalsContact SG-CD1 3.56Å; F341-I345 HydrophobicContact CD1-CD1 3.44Å; F341-I345 VanDerWaalsContact CD1-CD1 3.44Å; F341-I345 HydrophobicContact CD1-CG1 3.71Å; F341-I345 HydrophobicContact CE1-CD1 3.48Å; F341-I345 VanDerWaalsContact CE1-CD1 3.48Å; F341-I345 HydrophobicContact CE1-CG1 3.46Å; F341-I345 VanDerWaalsContact CE1-CG1 3.46Å; F341-I345 HydrophobicContact CZ-CG1 4.14Å; F341-I345 WeakPolarHBondContact O-CG1 3.44Å; F341-I345 PolarHBondContact O-N 3.31Å; N342-I345 PolarHBondContact O-N 2.87Å; N342-I345 VanDerWaalsContact O-N 3.16Å; I345-V348 WeakPolarHBondContact O-CB 3.22Å; I345-V348 PolarHBondContact O-N 2.62Å; I345-I349 HydrophobicContact CG2-CD1 3.25Å; I345-I349 HydrophobicContact CG2-CG1 3.64Å; I345-I349 WeakPolarHBondContact O-CG1 3.45Å; I345-I349 PolarHBondContact O-N 3.19Å |
| 346 | N | 87.5 | Confident | 88.6 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.8 | -53.1 | -173.9 | -71.3 | -28 | 0 | 0 | 0 | 112.8 | D91 N342 V348 I349 Y350 | D91-N346 PolarHBondContact OD2-ND2 2.9Å; N342-N346 PolarHBondContact O-N 3.27Å; N342-N346 PolarHBondContact O-ND2 2.8Å; N346-V348 PolarHBondContact O-N 2.83Å; N346-I349 PolarHBondContact O-N 3.12Å; N346-Y350 HydrophobicContact CB-CE2 4.1Å; N346-Y350 WeakPolarHBondContact O-CD2 3.4Å; N346-Y350 WeakPolarHBondContact O-CE2 3.3Å; N346-Y350 PolarHBondContact O-N 3.41Å |
| 347 | P | 90.6 | Very high | 88.4 | Confident | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.058 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -22.8 | 175.2 | -26.5 | 36 | 0 | 0 | 0 | 115.9 | G62 V66 S343 P351 | G62-P347 VanDerWaalsContact C-CB 3.49Å; V66-P347 HydrophobicContact CG2-CB 3.95Å; V66-P347 HydrophobicContact CG2-CG 4.11Å; S343-P347 VanDerWaalsContact O-CD 3.28Å; S343-P347 WeakPolarHBondContact O-CD 3.44Å; P347-P351 WeakPolarHBondContact O-CD 3.46Å; P347-P351 VanDerWaalsContact O-CG 3.3Å; P347-P351 WeakPolarHBondContact O-CG 3.47Å |
| 348 | V | 90.4 | Very high | 88.1 | Confident | 87 Ų | 87 | 36 Ų | 36 | 53% | 0.527 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -83.7 | -38.2 | 177.7 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | I345 N346 P351 C352 | I345-V348 WeakPolarHBondContact O-CB 3.22Å; I345-V348 PolarHBondContact O-N 2.62Å; N346-V348 PolarHBondContact O-N 2.83Å; V348-P351 WeakPolarHBondContact O-CD 3.28Å; V348-C352 WeakPolarHBondContact O-CB 3.4Å; V348-C352 PolarHBondContact O-N 2.94Å; V348-C352 PolarHBondContact O-SG 3.47Å |
| 349 | I | 88.6 | Confident | 87.8 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 8% | 0.082 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66 | -45.7 | -179 | -65.1 | 177.4 | 0 | 0 | 0 | 110.9 | I300 V301 M304 I345 N346 C352 S353 | I300-I349 HydrophobicContact CG2-CD1 4.27Å; V301-I349 HydrophobicContact CB-CD1 4.39Å; V301-I349 HydrophobicContact CG2-CB 4.16Å; V301-I349 HydrophobicContact CG2-CD1 4Å; V301-I349 HydrophobicContact CG2-CG2 3.49Å; V301-I349 VanDerWaalsContact CG2-CG2 3.49Å; M304-I349 HydrophobicContact CB-CD1 4.27Å; M304-I349 HydrophobicContact CG-CD1 4.02Å; I345-I349 HydrophobicContact CG2-CD1 3.25Å; I345-I349 HydrophobicContact CG2-CG1 3.64Å; I345-I349 WeakPolarHBondContact O-CG1 3.45Å; I345-I349 PolarHBondContact O-N 3.19Å; N346-I349 PolarHBondContact O-N 3.12Å; I349-C352 PolarHBondContact O-N 3.42Å; I349-S353 WeakPolarHBondContact O-CB 3.24Å; I349-S353 PolarHBondContact O-N 3.2Å; I349-S353 PolarHBondContact O-OG 3.03Å |
| 350 | Y | 86.8 | Confident | 87.6 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.5 | -47 | -172.3 | -53.6 | -52.5 | 0 | 0 | 0 | 113.9 | V66 I84 L87 V301 N346 S353 S354 | V66-Y350 HydrophobicContact CG1-CD2 4.19Å; V66-Y350 HydrophobicContact CG1-CE2 4.26Å; V66-Y350 HydrophobicContact CG2-CD2 3.88Å; V66-Y350 HydrophobicContact CG2-CE2 4.31Å; I84-Y350 HydrophobicContact CD1-CE1 4.33Å; I84-Y350 HydrophobicContact CG2-CD2 4.14Å; I84-Y350 HydrophobicContact CG2-CE1 4.13Å; I84-Y350 HydrophobicContact CG2-CE2 3.61Å; L87-Y350 WeakPolarHBondContact CD2-OH 3.43Å; V301-Y350 HydrophobicContact CG2-CE1 4.18Å; N346-Y350 HydrophobicContact CB-CE2 4.1Å; N346-Y350 WeakPolarHBondContact O-CD2 3.4Å; N346-Y350 WeakPolarHBondContact O-CE2 3.3Å; N346-Y350 PolarHBondContact O-N 3.41Å; Y350-S353 PolarHBondContact O-N 3Å; Y350-S353 PolarHBondContact O-OG 3Å; Y350-S354 PolarHBondContact O-N 3.42Å |
| 351 | P | 87 | Confident | 87.3 | Confident | 21 Ų | 21 | 41.7 Ų | 41.7 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.3 | -34.5 | 175.9 | -21.2 | 35.2 | 0 | 0 | 0 | 113.8 | P347 V348 S353 Q358 F361 | P347-P351 WeakPolarHBondContact O-CD 3.46Å; P347-P351 VanDerWaalsContact O-CG 3.3Å; P347-P351 WeakPolarHBondContact O-CG 3.47Å; V348-P351 WeakPolarHBondContact O-CD 3.28Å; P351-S353 VanDerWaalsContact C-N 3.25Å; P351-S353 PolarHBondContact O-N 3.37Å; P351-Q358 WeakPolarHBondContact O-CB 3.28Å; P351-F361 HydrophobicContact CB-CD1 4.46Å; P351-F361 HydrophobicContact CB-CG 4.45Å; P351-F361 HydrophobicContact CG-CD1 3.59Å; P351-F361 HydrophobicContact CG-CD2 4.04Å; P351-F361 HydrophobicContact CG-CE1 3.61Å; P351-F361 HydrophobicContact CG-CE2 4.06Å; P351-F361 HydrophobicContact CG-CG 3.81Å; P351-F361 HydrophobicContact CG-CZ 3.86Å |
| 352 | C | 84.9 | Confident | 87.1 | Confident | 109 Ų | 109 | 39.7 Ų | 39.7 | 74% | 0.736 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -69.5 | -27 | 178.9 | -72 | 0 | 0 | 0 | 0 | 112.6 | V348 I349 | V348-C352 WeakPolarHBondContact O-CB 3.4Å; V348-C352 PolarHBondContact O-N 2.94Å; V348-C352 PolarHBondContact O-SG 3.47Å; I349-C352 PolarHBondContact O-N 3.42Å |
| 353 | S | 77.3 | Confident | 86.8 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -107.5 | -29.8 | -168.2 | 67.7 | 0 | 0 | 0 | 0 | 113.1 | T297 I349 Y350 P351 | T297-S353 WeakPolarHBondContact CG2-OG 3.44Å; T297-S353 VanDerWaalsContact OG1-CB 3.22Å; T297-S353 WeakPolarHBondContact OG1-CB 3.34Å; T297-S353 PolarHBondContact OG1-O 3Å; I349-S353 WeakPolarHBondContact O-CB 3.24Å; I349-S353 PolarHBondContact O-N 3.2Å; I349-S353 PolarHBondContact O-OG 3.03Å; Y350-S353 PolarHBondContact O-N 3Å; Y350-S353 PolarHBondContact O-OG 3Å; P351-S353 VanDerWaalsContact C-N 3.25Å; P351-S353 PolarHBondContact O-N 3.37Å |
| 354 | S | 80.6 | Confident | 86.6 | Confident | 22 Ų | 22 | 45.8 Ų | 45.8 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | trans | -116.5 | 122.8 | 175.3 | 165.8 | 0 | 0 | 0 | 0 | 111.5 | Y350 E356 F357 Q358 | Y350-S354 PolarHBondContact O-N 3.42Å; S354-E356 PolarHBondContact O-N 2.91Å; S354-E356 PolarHBondContact OG-N 3.43Å; S354-E356 PolarHBondContact OG-OE2 3.3Å; S354-F357 PolarHBondContact O-N 3.42Å; S354-F357 PolarHBondContact OG-N 2.85Å; S354-Q358 WeakPolarHBondContact O-CB 3.39Å; S354-Q358 PolarHBondContact O-N 3.48Å | ||
| 355 | K | 82.3 | Confident | 86.3 | Confident | 114 Ų | 114 | 51.4 Ų | 51.4 | 50% | 0.496 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.4 | -27.1 | 175.5 | -70.1 | -171.6 | 175.2 | -176 | 0 | 111.5 | R359 | K355-R359 WeakPolarHBondContact O-CB 3.44Å; K355-R359 WeakPolarHBondContact O-CD 3.43Å; K355-R359 WeakPolarHBondContact O-CG 3.36Å; K355-R359 PolarHBondContact O-N 2.87Å |
| 356 | E | 84.8 | Confident | 86 | Confident | 71 Ų | 71 | 58.8 Ų | 58.8 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.1 | -47.8 | 178.6 | -57.5 | 72.4 | -161.6 | 0 | 0 | 110.6 | L76 S354 R359 A360 | L76-E356 HydrophobicContact CD2-CB 3.76Å; S354-E356 PolarHBondContact O-N 2.91Å; S354-E356 PolarHBondContact OG-N 3.43Å; S354-E356 PolarHBondContact OG-OE2 3.3Å; E356-R359 PolarHBondContact O-N 2.03Å; E356-A360 PolarHBondContact O-N 3.13Å; E356-A360 VanDerWaalsContact O-N 3.11Å |
| 357 | F | 85.2 | Confident | 85.5 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 4% | 0.039 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -43.5 | 171.9 | -83.3 | -77.8 | 0 | 0 | 0 | 111.8 | S69 V70 I84 S354 R359 A360 F361 | S69-F357 WeakPolarHBondContact OG-CD1 3.37Å; S69-F357 WeakPolarHBondContact OG-CE1 3.41Å; V70-F357 HydrophobicContact CG2-CE1 3.81Å; V70-F357 HydrophobicContact CG2-CZ 4.11Å; I84-F357 HydrophobicContact CD1-CE2 4.31Å; I84-F357 HydrophobicContact CD1-CZ 4.23Å; S354-F357 PolarHBondContact O-N 3.42Å; S354-F357 PolarHBondContact OG-N 2.85Å; F357-R359 VanDerWaalsContact C-N 3.33Å; F357-R359 PolarHBondContact O-N 3.08Å; F357-A360 WeakPolarHBondContact O-CB 3.01Å; F357-A360 PolarHBondContact O-N 3.36Å; F357-A360 VanDerWaalsContact O-N 3.09Å; F357-F361 HydrophobicContact CD1-CE2 4.35Å; F357-F361 WeakPolarHBondContact O-CD2 3.28Å; F357-F361 PolarHBondContact O-N 3.3Å |
| 358 | Q | 87.8 | Confident | 84.6 | Confident | 101 Ų | 101 | 67.4 Ų | 67.4 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -53.5 | -49 | 176.3 | -164.8 | -174.6 | 12.4 | 0 | 0 | 112.4 | P351 S354 A360 F361 T362 | P351-Q358 WeakPolarHBondContact O-CB 3.28Å; S354-Q358 WeakPolarHBondContact O-CB 3.39Å; S354-Q358 PolarHBondContact O-N 3.48Å; Q358-A360 VanDerWaalsContact C-N 3.34Å; Q358-A360 PolarHBondContact O-N 3.36Å; Q358-F361 PolarHBondContact O-N 3.44Å; Q358-T362 PolarHBondContact O-N 3.23Å; Q358-T362 PolarHBondContact O-OG1 2.93Å |
| 359 | R | 87.5 | Confident | 83.1 | Confident | 144 Ų | 144 | 64.6 Ų | 64.6 | 54% | 0.543 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 178.2 | -71.8 | 167.7 | -173.9 | 163.1 | -1.3 | 111.9 | K355 E356 F357 R363 | K355-R359 WeakPolarHBondContact O-CB 3.44Å; K355-R359 WeakPolarHBondContact O-CD 3.43Å; K355-R359 WeakPolarHBondContact O-CG 3.36Å; K355-R359 PolarHBondContact O-N 2.87Å; E356-R359 PolarHBondContact O-N 2.03Å; F357-R359 VanDerWaalsContact C-N 3.33Å; F357-R359 PolarHBondContact O-N 3.08Å; R359-R363 WeakPolarHBondContact O-CB 3.31Å; R359-R363 VanDerWaalsContact O-CG 3.26Å; R359-R363 WeakPolarHBondContact O-CG 3.26Å; R359-R363 PolarHBondContact O-N 3.41Å |
| 360 | A | 87.3 | Confident | 81.6 | Confident | 2 Ų | 2 | 69.8 Ų | 69.8 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N73 L76 E356 F357 Q358 R363 L364 | N73-A360 VanDerWaalsContact ND2-CB 3.32Å; N73-A360 WeakPolarHBondContact ND2-CB 3Å; L76-A360 HydrophobicContact CD1-CB 3.64Å; E356-A360 PolarHBondContact O-N 3.13Å; E356-A360 VanDerWaalsContact O-N 3.11Å; F357-A360 WeakPolarHBondContact O-CB 3.01Å; F357-A360 PolarHBondContact O-N 3.36Å; F357-A360 VanDerWaalsContact O-N 3.09Å; Q358-A360 VanDerWaalsContact C-N 3.34Å; Q358-A360 PolarHBondContact O-N 3.36Å; A360-R363 PolarHBondContact O-N 2.86Å; A360-L364 WeakPolarHBondContact O-CG 3.41Å; A360-L364 PolarHBondContact O-N 2.98Å |
| 361 | F | 88.4 | Confident | 80 | Confident | 19 Ų | 19 | 76.1 Ų | 76.1 | 8% | 0.083 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60 | -48.6 | 175 | -89.2 | -123.1 | 0 | 0 | 0 | 111.6 | L65 V66 P351 F357 Q358 R363 L364 L365 | L65-F361 HydrophobicContact CB-CD1 4.28Å; L65-F361 HydrophobicContact CB-CE1 3.68Å; L65-F361 HydrophobicContact CB-CZ 3.82Å; L65-F361 HydrophobicContact CD1-CD1 4.4Å; L65-F361 HydrophobicContact CD1-CE1 4.24Å; V66-F361 HydrophobicContact CB-CZ 4.5Å; V66-F361 HydrophobicContact CG2-CE2 4.43Å; V66-F361 HydrophobicContact CG2-CZ 3.78Å; P351-F361 HydrophobicContact CB-CD1 4.46Å; P351-F361 HydrophobicContact CB-CG 4.45Å; P351-F361 HydrophobicContact CG-CD1 3.59Å; P351-F361 HydrophobicContact CG-CD2 4.04Å; P351-F361 HydrophobicContact CG-CE1 3.61Å; P351-F361 HydrophobicContact CG-CE2 4.06Å; P351-F361 HydrophobicContact CG-CG 3.81Å; P351-F361 HydrophobicContact CG-CZ 3.86Å; F357-F361 HydrophobicContact CD1-CE2 4.35Å; F357-F361 WeakPolarHBondContact O-CD2 3.28Å; F357-F361 PolarHBondContact O-N 3.3Å; Q358-F361 PolarHBondContact O-N 3.44Å; F361-R363 VanDerWaalsContact C-N 3.26Å; F361-R363 PolarHBondContact O-N 3.44Å; F361-L364 WeakPolarHBondContact O-CB 3.47Å; F361-L364 PolarHBondContact O-N 3.48Å; F361-L364 VanDerWaalsContact O-N 3.13Å; F361-L365 WeakPolarHBondContact O-CG 3.45Å; F361-L365 PolarHBondContact O-N 3.22Å |
| 362 | T | 86.1 | Confident | 78.3 | Confident | 55 Ų | 55 | 81.1 Ų | 81.1 | 34% | 0.337 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.5 | -36.4 | 178.1 | -56.7 | 0 | 0 | 0 | 0 | 112 | Q358 R366 | Q358-T362 PolarHBondContact O-N 3.23Å; Q358-T362 PolarHBondContact O-OG1 2.93Å; T362-R366 WeakPolarHBondContact O-CB 3.35Å; T362-R366 VanDerWaalsContact O-CG 3.24Å; T362-R366 WeakPolarHBondContact O-CG 3.47Å; T362-R366 PolarHBondContact O-N 2.91Å; T362-R366 VanDerWaalsContact O-N 3.12Å |
| 363 | R | 85.2 | Confident | 76.8 | Confident | 107 Ų | 107 | 83.7 Ų | 83.7 | 40% | 0.404 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69 | -38.9 | 176 | -75.7 | 171.7 | -178 | 167.6 | 3 | 112.6 | R359 A360 F361 R366 C367 Q368 | R359-R363 WeakPolarHBondContact O-CB 3.31Å; R359-R363 VanDerWaalsContact O-CG 3.26Å; R359-R363 WeakPolarHBondContact O-CG 3.26Å; R359-R363 PolarHBondContact O-N 3.41Å; A360-R363 PolarHBondContact O-N 2.86Å; F361-R363 VanDerWaalsContact C-N 3.26Å; F361-R363 PolarHBondContact O-N 3.44Å; R363-R366 CarbonylContact O-C 3.53Å; R363-R366 PolarHBondContact O-N 2.88Å; R363-C367 PolarHBondContact O-N 3.47Å; R363-Q368 PolarHBondContact O-N 2.7Å |
| 364 | L | 86.8 | Confident | 75.6 | Confident | 23 Ų | 23 | 89.7 Ų | 89.7 | 12% | 0.12 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 176.4 | -80.5 | 164.5 | 0 | 0 | 0 | 111.3 | L65 L68 A360 F361 R366 C367 C369 | L65-L364 HydrophobicContact CD2-CB 4.34Å; L65-L364 HydrophobicContact CD2-CD1 4.48Å; L68-L364 HydrophobicContact CB-CD1 3.93Å; L68-L364 HydrophobicContact CB-CD2 3.96Å; A360-L364 WeakPolarHBondContact O-CG 3.41Å; A360-L364 PolarHBondContact O-N 2.98Å; F361-L364 WeakPolarHBondContact O-CB 3.47Å; F361-L364 PolarHBondContact O-N 3.48Å; F361-L364 VanDerWaalsContact O-N 3.13Å; L364-R366 PolarHBondContact O-N 2.95Å; L364-C367 WeakPolarHBondContact O-CA 3.47Å; L364-C367 PolarHBondContact O-N 3.34Å; L364-C369 HydrophobicContact CD2-CB 4.16Å; L364-C369 WeakPolarHBondContact CD2-SG 3.45Å |
| 365 | L | 85.4 | Confident | 74.4 | Confident | 126 Ų | 126 | 93 Ų | 93 | 66% | 0.66 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.7 | -26.7 | 177 | -67.2 | 172.9 | 0 | 0 | 0 | 112.7 | L65 F361 C367 | L65-L365 HydrophobicContact CD1-CD2 4.45Å; F361-L365 WeakPolarHBondContact O-CG 3.45Å; F361-L365 PolarHBondContact O-N 3.22Å; L365-C367 VanDerWaalsContact C-N 3.28Å |
| 366 | R | 86.3 | Confident | 73.1 | Confident | 171 Ų | 171 | 90.7 Ų | 90.7 | 65% | 0.645 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 8.6 | 171.4 | -67.9 | 177.3 | -177.3 | -170.2 | 1 | 113.5 | T362 R363 L364 Q368 | T362-R366 WeakPolarHBondContact O-CB 3.35Å; T362-R366 VanDerWaalsContact O-CG 3.24Å; T362-R366 WeakPolarHBondContact O-CG 3.47Å; T362-R366 PolarHBondContact O-N 2.91Å; T362-R366 VanDerWaalsContact O-N 3.12Å; R363-R366 CarbonylContact O-C 3.53Å; R363-R366 PolarHBondContact O-N 2.88Å; L364-R366 PolarHBondContact O-N 2.95Å; R366-Q368 HydrophobicContact CB-CG 3.95Å; R366-Q368 WeakPolarHBondContact O-CG 3.2Å; R366-Q368 PolarHBondContact O-N 2.97Å; R366-Q368 VanDerWaalsContact O-N 3.08Å |
| 367 | C | 77.4 | Confident | 71.6 | Confident | 106 Ų | 106 | 96.3 Ų | 96.3 | 72% | 0.716 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 22.8 | -178.5 | -61.1 | 0 | 0 | 0 | 0 | 115.1 | R363 L364 L365 C369 | R363-C367 PolarHBondContact O-N 3.47Å; L364-C367 WeakPolarHBondContact O-CA 3.47Å; L364-C367 PolarHBondContact O-N 3.34Å; L365-C367 VanDerWaalsContact C-N 3.28Å; C367-C369 VanDerWaalsContact C-N 3.27Å; C367-C369 PolarHBondContact O-N 3.26Å |
| 368 | Q | 70 | Confident | 70 | Confident | 84 Ų | 84 | 103.7 Ų | 103.7 | 39% | 0.393 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -3 | -174.1 | -65.3 | -176.8 | -9.6 | 0 | 0 | 113.9 | R363 R366 H370 Q371 | R363-Q368 PolarHBondContact O-N 2.7Å; R366-Q368 HydrophobicContact CB-CG 3.95Å; R366-Q368 WeakPolarHBondContact O-CG 3.2Å; R366-Q368 PolarHBondContact O-N 2.97Å; R366-Q368 VanDerWaalsContact O-N 3.08Å; Q368-H370 VanDerWaalsContact C-N 3.26Å; Q368-H370 PolarHBondContact O-N 3.3Å; Q368-Q371 PolarHBondContact O-N 2.98Å |
| 369 | C | 59.8 | Low | 68.7 | Low | 29 Ų | 29 | 105.4 Ų | 105.4 | 20% | 0.196 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65 | -28.2 | 179.7 | -73 | 0 | 0 | 0 | 0 | 113.3 | C72 L364 C367 Q371 | C72-C369 HydrophobicContact CB-CB 4.28Å; L364-C369 HydrophobicContact CD2-CB 4.16Å; L364-C369 WeakPolarHBondContact CD2-SG 3.45Å; C367-C369 VanDerWaalsContact C-N 3.27Å; C367-C369 PolarHBondContact O-N 3.26Å; C369-Q371 PolarHBondContact O-N 3.49Å |
| 370 | H | 56.1 | Low | 67 | Low | 125 Ų | 125 | 105.9 Ų | 105.9 | 58% | 0.579 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -70 | -30.3 | 177.2 | -111.3 | -60.5 | 0 | 0 | 0 | 113.5 | Q368 R374 | Q368-H370 VanDerWaalsContact C-N 3.26Å; Q368-H370 PolarHBondContact O-N 3.3Å; H370-R374 WeakPolarHBondContact O-CB 3.28Å; H370-R374 VanDerWaalsContact O-CG 3.26Å; H370-R374 WeakPolarHBondContact O-CG 3.48Å; H370-R374 PolarHBondContact O-N 3.48Å; H370-R374 VanDerWaalsContact O-N 3.09Å |
| 371 | Q | 54.3 | Low | 65.7 | Low | 139 Ų | 139 | 109.2 Ų | 109.2 | 65% | 0.65 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.8 | -38.6 | -175.8 | -121.7 | 164 | -13.6 | 0 | 0 | 111.5 | Q368 C369 V375 | Q368-Q371 PolarHBondContact O-N 2.98Å; C369-Q371 PolarHBondContact O-N 3.49Å; Q371-V375 VanDerWaalsContact O-CG2 3.26Å; Q371-V375 WeakPolarHBondContact O-CG2 3.33Å; Q371-V375 PolarHBondContact O-N 3.5Å |
| 372 | K | 51.9 | Low | 64.4 | Low | 126 Ų | 126 | 114.4 Ų | 114.4 | 55% | 0.548 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -75.8 | -38.7 | -178.6 | -138 | 178 | -174.6 | -176 | 0 | 113.4 | V375 L376 | K372-V375 PolarHBondContact O-N 2.95Å; K372-L376 PolarHBondContact O-N 3.45Å |
| 373 | R | 53.3 | Low | 63.1 | Low | 163 Ų | 163 | 120.1 Ų | 120.1 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.7 | -38.2 | 172.2 | -91.9 | -174.3 | 179 | -176.2 | 0.4 | 111.8 | R377 | R373-R377 WeakPolarHBondContact O-CB 3.4Å; R373-R377 PolarHBondContact O-N 3.48Å |
| 374 | R | 51.7 | Low | 61.4 | Low | 147 Ų | 147 | 123.7 Ų | 123.7 | 56% | 0.555 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66 | -40.9 | 174.8 | -74.9 | 179.4 | -170.1 | 179.7 | 6 | 112.4 | H370 R378 | H370-R374 WeakPolarHBondContact O-CB 3.28Å; H370-R374 VanDerWaalsContact O-CG 3.26Å; H370-R374 WeakPolarHBondContact O-CG 3.48Å; H370-R374 PolarHBondContact O-N 3.48Å; H370-R374 VanDerWaalsContact O-N 3.09Å; R374-R378 WeakPolarHBondContact O-CB 3.49Å; R374-R378 VanDerWaalsContact O-CG 3.25Å; R374-R378 WeakPolarHBondContact O-CG 3.21Å; R374-R378 PolarHBondContact O-N 2.83Å |
| 375 | V | 54.7 | Low | 59.8 | Low | 91 Ų | 91 | 130 Ų | 130 | 55% | 0.552 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.3 | -44.3 | 176.7 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | Q371 K372 R378 F379 | Q371-V375 VanDerWaalsContact O-CG2 3.26Å; Q371-V375 WeakPolarHBondContact O-CG2 3.33Å; Q371-V375 PolarHBondContact O-N 3.5Å; K372-V375 PolarHBondContact O-N 2.95Å; V375-R378 PolarHBondContact O-N 3.26Å; V375-F379 WeakPolarHBondContact O-CB 3.41Å; V375-F379 PolarHBondContact O-N 2.98Å |
| 376 | L | 55.3 | Low | 58.9 | Low | 66 Ų | 66 | 128.4 Ų | 128.4 | 35% | 0.346 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.8 | -45.2 | 175.3 | -111.6 | 97 | 0 | 0 | 0 | 111.9 | K372 R378 F379 Y380 | K372-L376 PolarHBondContact O-N 3.45Å; L376-R378 VanDerWaalsContact C-N 3.33Å; L376-R378 PolarHBondContact O-N 3.1Å; L376-F379 PolarHBondContact O-N 3.33Å; L376-Y380 HydrophobicContact CD2-CD2 4.5Å; L376-Y380 HydrophobicContact CD2-CE2 4.04Å; L376-Y380 WeakPolarHBondContact O-CD2 3.32Å; L376-Y380 PolarHBondContact O-N 3.48Å |
| 377 | R | 52.7 | Low | 57.6 | Low | 189 Ų | 189 | 123 Ų | 123 | 71% | 0.713 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.7 | -42.9 | 177.9 | -160.9 | -179.7 | -155.1 | 178.7 | 7.1 | 111.4 | R373 Y380 D381 | R373-R377 WeakPolarHBondContact O-CB 3.4Å; R373-R377 PolarHBondContact O-N 3.48Å; R377-Y380 PolarHBondContact O-N 3.17Å; R377-D381 VanDerWaalsContact O-CB 3.31Å; R377-D381 WeakPolarHBondContact O-CB 3.5Å; R377-D381 PolarHBondContact O-N 3.4Å |
| 378 | R | 52 | Low | 56.7 | Low | 165 Ų | 165 | 121 Ų | 121 | 62% | 0.623 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.2 | -40.5 | 174.1 | -74.5 | 178.2 | -171.3 | 179.9 | 1 | 112.4 | R374 V375 L376 D381 Q382 | R374-R378 WeakPolarHBondContact O-CB 3.49Å; R374-R378 VanDerWaalsContact O-CG 3.25Å; R374-R378 WeakPolarHBondContact O-CG 3.21Å; R374-R378 PolarHBondContact O-N 2.83Å; V375-R378 PolarHBondContact O-N 3.26Å; L376-R378 VanDerWaalsContact C-N 3.33Å; L376-R378 PolarHBondContact O-N 3.1Å; R378-D381 PolarHBondContact O-N 2.91Å; R378-Q382 WeakPolarHBondContact O-CB 3.34Å; R378-Q382 PolarHBondContact O-N 2.89Å |
| 379 | F | 60.1 | Low | 56 | Low | 137 Ų | 137 | 124.7 Ų | 124.7 | 60% | 0.601 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.5 | -42.3 | 178.6 | -164.8 | -93.8 | 0 | 0 | 0 | 112 | V375 L376 Q382 R383 | V375-F379 WeakPolarHBondContact O-CB 3.41Å; V375-F379 PolarHBondContact O-N 2.98Å; L376-F379 PolarHBondContact O-N 3.33Å; F379-Q382 PolarHBondContact O-N 3.27Å; F379-R383 WeakPolarHBondContact O-CB 3.15Å; F379-R383 PolarHBondContact O-N 3.29Å |
| 380 | Y | 52.6 | Low | 55.4 | Low | 153 Ų | 153 | 125 Ų | 125 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.4 | -44.1 | 173.1 | -86.5 | -83.8 | 0 | 0 | 0 | 112.1 | L376 R377 Q382 R383 W384 | L376-Y380 HydrophobicContact CD2-CD2 4.5Å; L376-Y380 HydrophobicContact CD2-CE2 4.04Å; L376-Y380 WeakPolarHBondContact O-CD2 3.32Å; L376-Y380 PolarHBondContact O-N 3.48Å; R377-Y380 PolarHBondContact O-N 3.17Å; Y380-Q382 VanDerWaalsContact C-N 3.26Å; Y380-Q382 PolarHBondContact O-N 3.39Å; Y380-R383 PolarHBondContact O-N 3.2Å; Y380-W384 VanDerWaalsContact O-CB 3.26Å; Y380-W384 WeakPolarHBondContact O-CB 3.33Å; Y380-W384 PolarHBondContact O-N 3.39Å |
| 381 | D | 59.3 | Low | 55 | Low | 72 Ų | 72 | 125.7 Ų | 125.7 | 39% | 0.385 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.1 | -33.7 | 174.8 | -84.5 | -16.1 | 0 | 0 | 0 | 112.6 | R377 R378 R385 | R377-D381 VanDerWaalsContact O-CB 3.31Å; R377-D381 WeakPolarHBondContact O-CB 3.5Å; R377-D381 PolarHBondContact O-N 3.4Å; R378-D381 PolarHBondContact O-N 2.91Å; D381-R385 WeakPolarHBondContact O-CB 3.43Å; D381-R385 WeakPolarHBondContact O-CG 3.49Å; D381-R385 PolarHBondContact O-N 3.04Å; D381-R385 PolarHBondContact O-NE 3.31Å |
| 382 | Q | 61.5 | Low | 54.7 | Low | 128 Ų | 128 | 123.5 Ų | 123.5 | 60% | 0.598 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -77.5 | -40.9 | -179.6 | -165.1 | 153 | -4.4 | 0 | 0 | 110.9 | R378 F379 Y380 R385 T386 | R378-Q382 WeakPolarHBondContact O-CB 3.34Å; R378-Q382 PolarHBondContact O-N 2.89Å; F379-Q382 PolarHBondContact O-N 3.27Å; Y380-Q382 VanDerWaalsContact C-N 3.26Å; Y380-Q382 PolarHBondContact O-N 3.39Å; Q382-R385 PolarHBondContact O-N 3.19Å; Q382-T386 PolarHBondContact O-N 2.97Å; Q382-T386 PolarHBondContact O-OG1 3.34Å; Q382-T386 VanDerWaalsContact O-OG1 3.07Å |
| 383 | R | 59.4 | Low | 54.5 | Low | 176 Ų | 176 | 125.9 Ų | 125.9 | 66% | 0.664 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.4 | -40.1 | 172.9 | -170.9 | 171.4 | -178.2 | 165.4 | 0.3 | 112.5 | F379 Y380 T386 A387 | F379-R383 WeakPolarHBondContact O-CB 3.15Å; F379-R383 PolarHBondContact O-N 3.29Å; Y380-R383 PolarHBondContact O-N 3.2Å; R383-T386 VanDerWaalsContact CA-OG1 3.29Å; R383-T386 WeakPolarHBondContact CA-OG1 3.33Å; R383-T386 PolarHBondContact O-N 2.95Å; R383-T386 PolarHBondContact O-OG1 2.84Å; R383-A387 WeakPolarHBondContact O-CB 3.31Å; R383-A387 PolarHBondContact O-N 3.28Å |
| 384 | W | 48.6 | Very low | 54 | Low | 181 Ų | 181 | 124.4 Ų | 124.4 | 69% | 0.686 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61 | -47.9 | 172.6 | 176.2 | -105.5 | 0 | 0 | 0 | 111.2 | Y380 T386 A387 V388 | Y380-W384 VanDerWaalsContact O-CB 3.26Å; Y380-W384 WeakPolarHBondContact O-CB 3.33Å; Y380-W384 PolarHBondContact O-N 3.39Å; W384-T386 PolarHBondContact O-N 2.91Å; W384-A387 PolarHBondContact O-N 3.31Å; W384-V388 HydrophobicContact CD2-CG2 4.13Å; W384-V388 HydrophobicContact CG-CG2 4.49Å; W384-V388 HydrophobicContact CZ2-CG2 4.03Å; W384-V388 VanDerWaalsContact O-CG2 3.31Å; W384-V388 WeakPolarHBondContact O-CG2 3.35Å; W384-V388 PolarHBondContact O-N 3.48Å |
| 385 | R | 54.4 | Low | 53.4 | Low | 155 Ų | 155 | 125.1 Ų | 125.1 | 59% | 0.585 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.2 | -36.2 | 177 | -83.5 | -174.7 | -84.2 | -140.7 | -2.4 | 113.8 | D381 Q382 K389 | D381-R385 WeakPolarHBondContact O-CB 3.43Å; D381-R385 WeakPolarHBondContact O-CG 3.49Å; D381-R385 PolarHBondContact O-N 3.04Å; D381-R385 PolarHBondContact O-NE 3.31Å; Q382-R385 PolarHBondContact O-N 3.19Å; R385-K389 WeakPolarHBondContact O-CB 3.38Å; R385-K389 WeakPolarHBondContact O-CG 2.93Å; R385-K389 PolarHBondContact O-N 3.34Å |
| 386 | T | 64.8 | Low | 52.5 | Low | 93 Ų | 93 | 128.2 Ų | 128.2 | 57% | 0.571 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.1 | -35.1 | 174.4 | 46.9 | 0 | 0 | 0 | 0 | 112.5 | Q382 R383 W384 G390 | Q382-T386 PolarHBondContact O-N 2.97Å; Q382-T386 PolarHBondContact O-OG1 3.34Å; Q382-T386 VanDerWaalsContact O-OG1 3.07Å; R383-T386 VanDerWaalsContact CA-OG1 3.29Å; R383-T386 WeakPolarHBondContact CA-OG1 3.33Å; R383-T386 PolarHBondContact O-N 2.95Å; R383-T386 PolarHBondContact O-OG1 2.84Å; W384-T386 PolarHBondContact O-N 2.91Å; T386-G390 PolarHBondContact O-N 2.98Å |
| 387 | A | 60.8 | Low | 51.6 | Low | 59 Ų | 59 | 134.4 Ų | 134.4 | 49% | 0.488 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.8 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R383 W384 G390 M391 | R383-A387 WeakPolarHBondContact O-CB 3.31Å; R383-A387 PolarHBondContact O-N 3.28Å; W384-A387 PolarHBondContact O-N 3.31Å; A387-G390 PolarHBondContact O-N 2Å; A387-M391 PolarHBondContact O-N 3.21Å; A387-M391 VanDerWaalsContact O-N 3.09Å |
| 388 | V | 57.1 | Low | 50.8 | Low | 63 Ų | 63 | 131.7 Ų | 131.7 | 38% | 0.382 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.6 | -37.1 | 177 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | W384 M391 T392 | W384-V388 HydrophobicContact CD2-CG2 4.13Å; W384-V388 HydrophobicContact CG-CG2 4.49Å; W384-V388 HydrophobicContact CZ2-CG2 4.03Å; W384-V388 VanDerWaalsContact O-CG2 3.31Å; W384-V388 WeakPolarHBondContact O-CG2 3.35Å; W384-V388 PolarHBondContact O-N 3.48Å; V388-M391 PolarHBondContact O-N 2.89Å; V388-T392 PolarHBondContact O-N 2.88Å; V388-T392 PolarHBondContact O-OG1 3Å |
| 389 | K | 54.9 | Low | 49.8 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 70% | 0.7 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.7 | -27.7 | 173.6 | -81.5 | -174 | 174.3 | -171.8 | 0 | 113.9 | R385 T392 R393 | R385-K389 WeakPolarHBondContact O-CB 3.38Å; R385-K389 WeakPolarHBondContact O-CG 2.93Å; R385-K389 PolarHBondContact O-N 3.34Å; K389-T392 WeakPolarHBondContact CA-OG1 3.01Å; K389-R393 PolarHBondContact O-N 2.94Å |
| 390 | G | 48.7 | Very low | 48.4 | Very low | 35 Ų | 35 | 132.7 Ų | 132.7 | 36% | 0.361 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.9 | -44.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T386 A387 T392 R393 D394 | T386-G390 PolarHBondContact O-N 2.98Å; A387-G390 PolarHBondContact O-N 2Å; G390-T392 PolarHBondContact O-N 3.39Å; G390-R393 PolarHBondContact O-N 3.49Å; G390-D394 PolarHBondContact O-N 3.33Å |
| 391 | M | 47.5 | Very low | 47.4 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 70% | 0.695 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.1 | -31.5 | -178.4 | -154 | 131.5 | 79.4 | 0 | 0 | 113.5 | A387 V388 | A387-M391 PolarHBondContact O-N 3.21Å; A387-M391 VanDerWaalsContact O-N 3.09Å; V388-M391 PolarHBondContact O-N 2.89Å |
| 392 | T | 48 | Very low | 45.9 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 56% | 0.564 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -79.5 | -15.2 | 175.2 | 25.5 | 0 | 0 | 0 | 0 | 113.9 | V388 K389 G390 | V388-T392 PolarHBondContact O-N 2.88Å; V388-T392 PolarHBondContact O-OG1 3Å; K389-T392 WeakPolarHBondContact CA-OG1 3.01Å; G390-T392 PolarHBondContact O-N 3.39Å |
| 393 | R | 47.7 | Very low | 44.2 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 66% | 0.664 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -91.5 | -26.5 | 178.6 | -141.6 | 175.3 | 84.2 | 147.5 | 3.4 | 113.1 | K389 G390 | K389-R393 PolarHBondContact O-N 2.94Å; G390-R393 PolarHBondContact O-N 3.49Å |
| 394 | D | 43 | Very low | 43.3 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -85.2 | -17.1 | 175.9 | -71.6 | -19 | 0 | 0 | 0 | 112.9 | G390 | G390-D394 PolarHBondContact O-N 3.33Å |
| 395 | Q | 38.2 | Very low | 42.2 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 76% | 0.757 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -95.4 | 0.8 | 178.9 | -143.2 | 172.8 | 20 | 0 | 0 | 114.4 | ||
| 396 | M | 36.7 | Very low | 40.8 | Very low | 155 Ų | 155 | 133 Ų | 133 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -124.6 | 27.9 | -177.3 | -160.4 | 94.6 | -174.2 | 0 | 0 | 112.6 | ||
| 397 | R | 35.6 | Very low | 38.9 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -106.2 | -13.2 | 169.9 | -96.8 | -174.6 | -178.4 | 171.8 | -2 | 114.4 | ||
| 398 | D | 35.3 | Very low | 37.1 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -112.9 | 124 | 170.3 | -64.3 | -32.4 | 0 | 0 | 0 | 107.4 | ||
| 399 | Y | 31.8 | Very low | 35.5 | Very low | 221 Ų | 221 | 142.1 Ų | 142.1 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 99.5 | 114.6 | -178.7 | -65.5 | -85.1 | 0 | 0 | 0 | 118 | ||
| 400 | A | 31.3 | Very low | 34.1 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | 94.6 | 92.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 401 | A | 30.2 | Very low | 33 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -65 | 146.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 402 | G | 27.5 | Very low | 31.9 | Very low | 70 Ų | 70 | 145.5 Ų | 145.5 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 141 | 78.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 403 | Y | 26.6 | Very low | 30.9 | Very low | 234 Ų | 234 | 149.4 Ų | 149.4 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | trans | 54.5 | 154.4 | 148.6 | -79.9 | -93.2 | 0 | 0 | 0 | 123.2 | ||||
| 404 | P | 41.5 | Very low | 29.9 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | trans | -108.3 | 158.4 | -146.3 | 40.7 | -34.8 | 0 | 0 | 0 | 114.9 | ||||
| 405 | M | 23.9 | Very low | 29.1 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 93% | 0.931 | 80% | 0.801 | S | S | * | * | trans | -154.3 | 154.7 | 150.9 | -109.2 | -61.1 | 143.7 | 0 | 0 | 112.4 | ||||
| 406 | H | 25.1 | Very low | 28.6 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -99.9 | 174 | -152.1 | -164.1 | -108.7 | 0 | 0 | 0 | 113.2 | ||||
| 407 | E | 25.2 | Very low | 28.1 | Very low | 173 Ų | 173 | 156.2 Ų | 156.2 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | trans | 79.8 | 141.7 | 165.6 | -64.8 | -160.6 | 136.3 | 0 | 0 | 119.3 | ||||
| 408 | S | 23.6 | Very low | 27.7 | Very low | 109 Ų | 109 | 156.8 Ų | 156.8 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | cis | -166.1 | 165.9 | -11.3 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 409 | C | 24.1 | Very low | 27.3 | Very low | 126 Ų | 126 | 159.8 Ų | 159.8 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | -66.8 | 155.4 | -174.9 | -178.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 410 | G | 24.9 | Very low | 27.1 | Very low | 68 Ų | 68 | 154.8 Ų | 154.8 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | trans | 179.6 | 82.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 411 | R | 25.8 | Very low | 26.9 | Very low | 240 Ų | 240 | 155.5 Ų | 155.5 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | 52.5 | 115.1 | 142.4 | -66.9 | 176.7 | -179 | 178.4 | 0.6 | 120 | ||||
| 412 | S | 24.6 | Very low | 26.8 | Very low | 99 Ų | 99 | 157.9 Ų | 157.9 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | 63 | 107.3 | 76.3 | -170.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 413 | L | 25.5 | Very low | 27 | Very low | 174 Ų | 174 | 158.3 Ų | 158.3 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -145.8 | 96.7 | 149.4 | -98.2 | 170.8 | 0 | 0 | 0 | 109.9 | ||||
| 414 | I | 27.7 | Very low | 27.2 | Very low | 145 Ų | 145 | 155.4 Ų | 155.4 | 74% | 0.744 | 83% | 0.825 | S | S | * | * | trans | -83.5 | 111.7 | 169.2 | -66.7 | 171.2 | 0 | 0 | 0 | 107.7 | ||||
| 415 | H | 26.1 | Very low | 26.6 | Very low | 185 Ų | 185 | 159.9 Ų | 159.9 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | -93.1 | 100.6 | 165.5 | -128.4 | -55.2 | 0 | 0 | 0 | 110 | ||||
| 416 | K | 27.7 | Very low | 26.9 | Very low | 190 Ų | 190 | 160.3 Ų | 160.3 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -64 | 131.8 | 161.8 | -90.6 | 176.7 | 173.6 | 173.6 | 0 | 108.7 | ||||
| 417 | R | 26.9 | Very low | 27 | Very low | 249 Ų | 249 | 160.4 Ų | 160.4 | 94% | 0.94 | 84% | 0.836 | S | S | * | * | trans | -127.8 | 124.9 | 159.8 | -148.7 | 172.3 | -173.4 | 171 | 1.7 | 110 | ||||
| 418 | K | 26.2 | Very low | 27.1 | Very low | 209 Ų | 209 | 157 Ų | 157 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | -60.5 | 137.2 | -173.3 | -70.6 | 173.6 | 174.2 | 177.8 | 0 | 112 | ||||
| 419 | H | 27.5 | Very low | 27.2 | Very low | 195 Ų | 195 | 158 Ų | 158 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | trans | -72.5 | 131.1 | 164.4 | -111.5 | -94.9 | 0 | 0 | 0 | 109 | ||||
| 420 | C | 27.2 | Very low | 27.4 | Very low | 117 Ų | 117 | 161.4 Ų | 161.4 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | trans | -110.7 | 114.5 | 167.4 | -145.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 421 | S | 27.3 | Very low | 27.3 | Very low | 115 Ų | 115 | 163.5 Ų | 163.5 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -89.2 | 114.7 | 174.4 | 54 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 422 | L | 28.3 | Very low | 27.4 | Very low | 159 Ų | 159 | 157.6 Ų | 157.6 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -114.5 | 107 | 164.8 | -97.3 | 144.9 | 0 | 0 | 0 | 107.8 | ||||
| 423 | G | 30.4 | Very low | 27.5 | Very low | 79 Ų | 79 | 161.7 Ų | 161.7 | 81% | 0.814 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 116.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 424 | L | 30.9 | Very low | 27.9 | Very low | 173 Ų | 173 | 159.9 Ų | 159.9 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 118.9 | 168.6 | -106.1 | 149.4 | 0 | 0 | 0 | 109 | ||
| 425 | K | 30.6 | Very low | 28.1 | Very low | 201 Ų | 201 | 162.7 Ų | 162.7 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -61 | 142.9 | 178.6 | -71 | 176.5 | 178.3 | 177.8 | 0 | 110.4 | L427 | K425-L427 PolarHBondContact O-N 3.47Š|
| 426 | K | 29 | Very low | 28.4 | Very low | 197 Ų | 197 | 159.1 Ų | 159.1 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | trans | -49.2 | 110.4 | 178.5 | -168.2 | -179.4 | -175 | -175.3 | 0 | 112 | ||||
| 427 | L | 26.4 | Very low | 28.6 | Very low | 165 Ų | 165 | 153.7 Ų | 153.7 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -90.2 | 101.1 | 163.8 | -152.3 | 84.2 | 0 | 0 | 0 | 107.9 | K425 | K425-L427 PolarHBondContact O-N 3.47Š| ||
| 428 | S | 27.6 | Very low | 28.9 | Very low | 101 Ų | 101 | 148.6 Ų | 148.6 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -92.4 | 91.6 | 173.6 | 54.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 429 | L | 26 | Very low | 29.2 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | -104.9 | 134.9 | 155.9 | -121.5 | 82.1 | 0 | 0 | 0 | 106.5 | ||||
| 430 | F | 27.7 | Very low | 29.4 | Very low | 197 Ų | 197 | 144 Ų | 144 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 90.1 | 96.5 | -175.6 | -50.1 | -69.1 | 0 | 0 | 0 | 116.3 | ||||
| 431 | S | 23.5 | Very low | 29.8 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -64.6 | 142.6 | 161.7 | 5.7 | 0 | 0 | 0 | 0 | 110.7 | L433 | S431-L433 PolarHBondContact O-N 2.91Š| ||
| 432 | P | 27.3 | Very low | 30.2 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -75.5 | 114.6 | 176.3 | -3.2 | 19.4 | 0 | 0 | 0 | 110.4 | Q434 | P432-Q434 VanDerWaalsContact C-N 3.25Å; P432-Q434 PolarHBondContact O-N 3.49Å | ||
| 433 | L | 28.5 | Very low | 30.6 | Very low | 184 Ų | 184 | 146 Ų | 146 | 96% | 0.963 | 75% | 0.754 | S | S | * | * | trans | -66.7 | 85.7 | 161 | -95.9 | 152.1 | 0 | 0 | 0 | 109.2 | S431 | S431-L433 PolarHBondContact O-N 2.91Š| ||
| 434 | Q | 33.6 | Very low | 31.2 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | -106.4 | 78.8 | 170.8 | -173.8 | 172.3 | -32.3 | 0 | 0 | 109.7 | P432 | P432-Q434 VanDerWaalsContact C-N 3.25Å; P432-Q434 PolarHBondContact O-N 3.49Å | ||
| 435 | K | 31.5 | Very low | 31.4 | Very low | 205 Ų | 205 | 142.1 Ų | 142.1 | 89% | 0.891 | 72% | 0.719 | S | S | * | * | trans | -144.3 | 88.2 | 164.5 | -82.6 | -171.7 | 177.6 | 177.7 | 0 | 109.9 | ||||
| 436 | S | 31.8 | Very low | 31.6 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -168.3 | -26 | 164.4 | 165.5 | 0 | 0 | 0 | 0 | 112.1 | F438 | S436-F438 PolarHBondContact O-N 3.32Š|
| 437 | S | 32.6 | Very low | 31.9 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 54% | 0.538 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -83.3 | -2.5 | -176.2 | 62.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 438 | F | 32 | Very low | 32.5 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 62% | 0.623 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -87.1 | -39.2 | -178.9 | -101.4 | -87 | 0 | 0 | 0 | 113.1 | S436 F440 K441 E442 | S436-F438 PolarHBondContact O-N 3.32Å; F438-F440 VanDerWaalsContact C-N 3.31Å; F438-F440 PolarHBondContact O-N 3.43Å; F438-K441 PolarHBondContact O-N 3Å; F438-K441 VanDerWaalsContact O-N 3.15Å; F438-E442 WeakPolarHBondContact O-CB 3.24Å; F438-E442 PolarHBondContact O-N 2.89Å |
| 439 | Q | 33.8 | Very low | 32.9 | Very low | 146 Ų | 146 | 129 Ų | 129 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65.5 | -30.3 | -178.4 | -81.3 | -150.7 | -23 | 0 | 0 | 114.2 | K443 | Q439-K443 WeakPolarHBondContact O-CB 3.3Å; Q439-K443 WeakPolarHBondContact O-CG 3.37Å; Q439-K443 PolarHBondContact O-N 2.82Å |
| 440 | F | 31.9 | Very low | 33.5 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -75.7 | -34.2 | 176.5 | -169 | -100.7 | 0 | 0 | 0 | 111.8 | F438 V444 | F438-F440 VanDerWaalsContact C-N 3.31Å; F438-F440 PolarHBondContact O-N 3.43Å; F440-V444 HydrophobicContact CD1-CG2 4.22Å; F440-V444 HydrophobicContact CE1-CG2 3.95Å; F440-V444 HydrophobicContact CZ-CG2 4.25Å; F440-V444 WeakPolarHBondContact O-CB 3.32Å; F440-V444 WeakPolarHBondContact O-CG2 3.45Å; F440-V444 PolarHBondContact O-N 3.23Å; F440-V444 VanDerWaalsContact O-N 3.15Å |
| 441 | K | 35.5 | Very low | 34.1 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 62% | 0.622 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.3 | -34.9 | -179.4 | -152.6 | 177.1 | -176.7 | -169.2 | 0 | 111.6 | F438 N445 | F438-K441 PolarHBondContact O-N 3Å; F438-K441 VanDerWaalsContact O-N 3.15Å; K441-N445 PolarHBondContact O-N 3.25Å; K441-N445 VanDerWaalsContact O-N 3.12Å |
| 442 | E | 35.9 | Very low | 34.9 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.6 | -43.2 | 176 | -155 | 168.2 | -156.7 | 0 | 0 | 111.5 | F438 V444 N445 D446 | F438-E442 WeakPolarHBondContact O-CB 3.24Å; F438-E442 PolarHBondContact O-N 2.89Å; E442-V444 VanDerWaalsContact C-N 3.3Å; E442-V444 PolarHBondContact O-N 3.12Å; E442-N445 PolarHBondContact O-N 3.14Å; E442-D446 WeakPolarHBondContact O-CB 3.34Å; E442-D446 PolarHBondContact O-N 3.14Å |
| 443 | K | 36.4 | Very low | 35.3 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 67% | 0.665 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.6 | -31.5 | 173.4 | -81.1 | -176.7 | 174.8 | -177.7 | 0 | 113.9 | Q439 L447 | Q439-K443 WeakPolarHBondContact O-CB 3.3Å; Q439-K443 WeakPolarHBondContact O-CG 3.37Å; Q439-K443 PolarHBondContact O-N 2.82Å; K443-L447 WeakPolarHBondContact O-CB 3.37Å; K443-L447 PolarHBondContact O-N 3.49Å |
| 444 | V | 42.5 | Very low | 35.7 | Very low | 74 Ų | 74 | 122.4 Ų | 122.4 | 45% | 0.448 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -74.5 | -36.6 | 176.5 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | F440 E442 S448 | F440-V444 HydrophobicContact CD1-CG2 4.22Å; F440-V444 HydrophobicContact CE1-CG2 3.95Å; F440-V444 HydrophobicContact CZ-CG2 4.25Å; F440-V444 WeakPolarHBondContact O-CB 3.32Å; F440-V444 WeakPolarHBondContact O-CG2 3.45Å; F440-V444 PolarHBondContact O-N 3.23Å; F440-V444 VanDerWaalsContact O-N 3.15Å; E442-V444 VanDerWaalsContact C-N 3.3Å; E442-V444 PolarHBondContact O-N 3.12Å; V444-S448 PolarHBondContact O-N 3.41Å |
| 445 | N | 34.5 | Very low | 35.7 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 52% | 0.524 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -72 | -37.5 | 175.6 | -80.4 | 1.3 | 0 | 0 | 0 | 112.5 | K441 E442 L447 S448 N449 | K441-N445 PolarHBondContact O-N 3.25Å; K441-N445 VanDerWaalsContact O-N 3.12Å; E442-N445 PolarHBondContact O-N 3.14Å; N445-L447 VanDerWaalsContact C-N 3.34Å; N445-L447 PolarHBondContact O-N 3.44Å; N445-S448 WeakPolarHBondContact O-CB 3.47Å; N445-S448 PolarHBondContact O-N 3.44Å; N445-N449 PolarHBondContact O-N 2.86Å |
| 446 | D | 35.4 | Very low | 35.8 | Very low | 106 Ų | 106 | 116.9 Ų | 116.9 | 57% | 0.567 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.7 | -35.3 | 178.7 | -155.4 | 44.6 | 0 | 0 | 0 | 111.9 | E442 N449 K450 | E442-D446 WeakPolarHBondContact O-CB 3.34Å; E442-D446 PolarHBondContact O-N 3.14Å; D446-N449 PolarHBondContact O-N 2.94Å; D446-K450 PolarHBondContact O-N 3.3Å; D446-K450 VanDerWaalsContact O-N 3.09Å |
| 447 | L | 36 | Very low | 35.8 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 58% | 0.581 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.5 | -37.3 | 172.6 | -144.9 | 81.4 | 0 | 0 | 0 | 112.1 | K443 N445 N449 K450 I451 | K443-L447 WeakPolarHBondContact O-CB 3.37Å; K443-L447 PolarHBondContact O-N 3.49Å; N445-L447 VanDerWaalsContact C-N 3.34Å; N445-L447 PolarHBondContact O-N 3.44Å; L447-N449 VanDerWaalsContact C-N 3.3Å; L447-N449 PolarHBondContact O-N 3.44Å; L447-K450 PolarHBondContact O-N 2.99Å; L447-I451 WeakPolarHBondContact O-CD1 3.45Å; L447-I451 VanDerWaalsContact O-CG1 3.29Å; L447-I451 WeakPolarHBondContact O-CG1 3.36Å; L447-I451 PolarHBondContact O-N 2.91Å |
| 448 | S | 38.3 | Very low | 35.5 | Very low | 62 Ų | 62 | 122.2 Ų | 122.2 | 43% | 0.434 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -66.8 | -31.5 | 176.5 | -169.9 | 0 | 0 | 0 | 0 | 112.5 | V444 N445 K452 | V444-S448 PolarHBondContact O-N 3.41Å; N445-S448 WeakPolarHBondContact O-CB 3.47Å; N445-S448 PolarHBondContact O-N 3.44Å; S448-K452 PolarHBondContact O-N 3.48Å |
| 449 | N | 37.1 | Very low | 35.3 | Very low | 108 Ų | 108 | 122 Ų | 122 | 58% | 0.578 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -78.8 | -34.2 | 176.9 | -72.2 | -16.4 | 0 | 0 | 0 | 112.1 | N445 D446 L447 I451 K452 G453 | N445-N449 PolarHBondContact O-N 2.86Å; D446-N449 PolarHBondContact O-N 2.94Å; L447-N449 VanDerWaalsContact C-N 3.3Å; L447-N449 PolarHBondContact O-N 3.44Å; N449-I451 VanDerWaalsContact C-N 3.33Å; N449-I451 PolarHBondContact O-N 3.36Å; N449-K452 PolarHBondContact O-N 3.12Å; N449-G453 PolarHBondContact O-N 3.2Å |
| 450 | K | 38.1 | Very low | 35.6 | Very low | 164 Ų | 164 | 120.2 Ų | 120.2 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.4 | -31.4 | 173.5 | -111.8 | 171.9 | 178.2 | 170 | 0 | 113.7 | D446 L447 | D446-K450 PolarHBondContact O-N 3.3Å; D446-K450 VanDerWaalsContact O-N 3.09Å; L447-K450 PolarHBondContact O-N 2.99Å |
| 451 | I | 40.5 | Very low | 35.9 | Very low | 131 Ų | 131 | 118.3 Ų | 118.3 | 67% | 0.672 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -77.3 | -28.3 | 178.3 | -65.7 | 166.2 | 0 | 0 | 0 | 111.7 | L447 N449 G453 | L447-I451 WeakPolarHBondContact O-CD1 3.45Å; L447-I451 VanDerWaalsContact O-CG1 3.29Å; L447-I451 WeakPolarHBondContact O-CG1 3.36Å; L447-I451 PolarHBondContact O-N 2.91Å; N449-I451 VanDerWaalsContact C-N 3.33Å; N449-I451 PolarHBondContact O-N 3.36Å; I451-G453 VanDerWaalsContact C-N 3.31Å |
| 452 | K | 39.3 | Very low | 35.4 | Very low | 182 Ų | 182 | 116 Ų | 116 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -75.8 | -15.5 | 173 | -84.6 | -174.5 | 173.8 | -175.2 | 0 | 114.1 | S448 N449 | S448-K452 PolarHBondContact O-N 3.48Å; N449-K452 PolarHBondContact O-N 3.12Å |
| 453 | G | 36.9 | Very low | 34.8 | Very low | 72 Ų | 72 | 118.2 Ų | 118.2 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | N449 I451 | N449-G453 PolarHBondContact O-N 3.2Å; I451-G453 VanDerWaalsContact C-N 3.31Å |
| 454 | G | 35.4 | Very low | 34.2 | Very low | 54 Ų | 54 | 114.3 Ų | 114.3 | 56% | 0.557 | 71% | 0.71 | S | S | * | * | trans | -141.9 | 62.1 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 455 | T | 35.4 | Very low | 33.3 | Very low | 151 Ų | 151 | 119.7 Ų | 119.7 | 93% | 0.926 | 73% | 0.73 | S | S | * | * | trans | 178.3 | 116.7 | 153.1 | 40.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 456 | G | 31.6 | Very low | 32.9 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | cis | -164 | -175.8 | -5.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 457 | K | 32.9 | Very low | 32.4 | Very low | 214 Ų | 214 | 122.7 Ų | 122.7 | 93% | 0.93 | 75% | 0.75 | S | S | * | * | cis | -172.3 | 146.5 | -1.2 | -109 | -179.6 | 175.7 | 179.7 | 0 | 104.1 | ||||
| 458 | G | 27 | Very low | 31.9 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | 88.6 | 129.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 459 | T | 26.7 | Very low | 31.4 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -104.2 | 170.2 | 173.8 | -6.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 460 | P | 41.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | -136.2 | -147.2 | -57.1 | 42.6 | -22.6 | 0 | 0 | 0 | 109.7 | |||||
| 461 | P | 37.8 | Very low | 30.2 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | cis | -130.4 | 166.5 | -22.2 | 35.1 | -17.1 | 0 | 0 | 0 | 114.6 | ||||
| 462 | A | 24.3 | Very low | 29.4 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | 160.6 | 124.1 | 129.3 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 463 | L | 23.6 | Very low | 28.7 | Very low | 183 Ų | 183 | 125.9 Ų | 125.9 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | trans | 48.4 | 126.9 | 134.9 | -137.5 | 74.9 | 0 | 0 | 0 | 121.8 | ||||
| 464 | G | 23.8 | Very low | 28.2 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | 145.4 | 99.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 465 | E | 24.5 | Very low | 27.6 | Very low | 186 Ų | 186 | 132.5 Ų | 132.5 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | 39.7 | 127.6 | 140.5 | -79.3 | 173.9 | 142.6 | 0 | 0 | 124.7 | ||||
| 466 | T | 24.4 | Very low | 27.1 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | trans | 13.1 | 131.3 | 137 | 49.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 467 | D | 25.7 | Very low | 26.7 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | -171.5 | 150.8 | 104.3 | -113.6 | -19 | 0 | 0 | 0 | 115.2 | |||||
| 468 | T | 25.9 | Very low | 26.4 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | -66.7 | 142.5 | 174.3 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 469 | V | 27.1 | Very low | 26.2 | Very low | 145 Ų | 145 | 139 Ų | 139 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -141.5 | 136.5 | 154.6 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 470 | E | 25.6 | Very low | 26 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | -68 | 154.1 | -169.8 | -61.1 | 166.5 | 131.8 | 0 | 0 | 115.8 | ||||
| 471 | T | 24.4 | Very low | 25.2 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | -57.5 | 128 | 156.5 | 38.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 472 | V | 24.2 | Very low | 24.8 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | trans | -133.1 | 122.2 | 160.4 | -179 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 473 | S | 24.4 | Very low | 24.8 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -52.7 | 145.5 | 172 | -76.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 474 | M | 25.3 | Very low | 24.8 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 95% | 0.946 | 82% | 0.818 | S | S | * | * | trans | -119 | 113.4 | 155.9 | -109.9 | -175.4 | -108.7 | 0 | 0 | 110 | ||||
| 475 | G | 23.9 | Very low | 24.8 | Very low | 73 Ų | 73 | 149.8 Ų | 149.8 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | -69.1 | 153.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 476 | I | 25 | Very low | 24.7 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | trans | -75.2 | 121.2 | 172.7 | -63.5 | 171.2 | 0 | 0 | 0 | 108 | ||||
| 477 | Y | 23 | Very low | 24.7 | Very low | 229 Ų | 229 | 153 Ų | 153 | 90% | 0.898 | 83% | 0.831 | S | S | * | * | trans | -122.6 | 121.1 | 158 | -109.8 | -87.9 | 0 | 0 | 0 | 109.6 | ||||
| 478 | N | 26.2 | Very low | 24.7 | Very low | 154 Ų | 154 | 155.6 Ų | 155.6 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | -73.5 | 132.5 | 168.5 | -89.5 | -24.9 | 0 | 0 | 0 | 109.6 | ||||
| 479 | S | 23 | Very low | 24.6 | Very low | 119 Ų | 119 | 156.4 Ų | 156.4 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -147.1 | 132.3 | 154.2 | -179 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 480 | C | 23.6 | Very low | 24.9 | Very low | 108 Ų | 108 | 156.7 Ų | 156.7 | 73% | 0.73 | 83% | 0.827 | S | S | * | * | trans | -55.7 | 141.7 | 179.9 | -168.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 481 | E | 24 | Very low | 25.2 | Very low | 191 Ų | 191 | 151.9 Ų | 151.9 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | -167.7 | 149.6 | 123.4 | -110.8 | 177.9 | -178.2 | 0 | 0 | 114.4 | |||||
| 482 | Q | 28.9 | Very low | 25.6 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -94.5 | 108.7 | -162.6 | -170.2 | 166.5 | -1.7 | 0 | 0 | 108.2 | ||||
| 483 | S | 24.3 | Very low | 26.1 | Very low | 110 Ų | 110 | 152.9 Ų | 152.9 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -127.6 | 128.9 | 170.2 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | F485 | S483-F485 PolarHBondContact O-N 2.78Š| ||
| 484 | T | 23 | Very low | 26.3 | Very low | 137 Ų | 137 | 157.7 Ų | 157.7 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -55.1 | 117.4 | -174.5 | 40.3 | 0 | 0 | 0 | 0 | 113.9 | Q486 | T484-Q486 PolarHBondContact O-N 2.74Š| ||
| 485 | F | 23.5 | Very low | 26.6 | Very low | 209 Ų | 209 | 151.7 Ų | 151.7 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -76.6 | 103 | 158.5 | -97.2 | -92.7 | 0 | 0 | 0 | 109 | S483 F487 | S483-F485 PolarHBondContact O-N 2.78Å; F485-F487 PolarHBondContact O-N 3.01Å | ||
| 486 | Q | 23.4 | Very low | 26.9 | Very low | 167 Ų | 167 | 156.4 Ų | 156.4 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | -67.1 | 115.7 | 164.5 | -107.6 | 177.4 | -15.3 | 0 | 0 | 109 | T484 Y488 | T484-Q486 PolarHBondContact O-N 2.74Å; Q486-Y488 PolarHBondContact O-N 3.01Å | ||
| 487 | F | 23.5 | Very low | 27.1 | Very low | 201 Ų | 201 | 158 Ų | 158 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 121.5 | 162.6 | -108.5 | -98.6 | 0 | 0 | 0 | 108.1 | F485 D489 | F485-F487 PolarHBondContact O-N 3.01Å; F487-D489 PolarHBondContact O-N 3.17Å |
| 488 | Y | 26.3 | Very low | 27.6 | Very low | 208 Ų | 208 | 155.4 Ų | 155.4 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 119.1 | 161.4 | -84.6 | -88.5 | 0 | 0 | 0 | 108.3 | Q486 | Q486-Y488 PolarHBondContact O-N 3.01Š|
| 489 | D | 24.3 | Very low | 27.9 | Very low | 140 Ų | 140 | 153.7 Ų | 153.7 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70 | 134.1 | 176.1 | -154 | -9.8 | 0 | 0 | 0 | 109.7 | F487 A491 | F487-D489 PolarHBondContact O-N 3.17Å; D489-A491 PolarHBondContact O-N 3.4Å |
| 490 | L | 33.3 | Very low | 28.3 | Very low | 151 Ų | 151 | 155.5 Ų | 155.5 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 9.9 | -171.7 | -138.3 | 91 | 0 | 0 | 0 | 112.7 | ||
| 491 | A | 31 | Very low | 28.9 | Very low | 66 Ų | 66 | 161.5 Ų | 161.5 | 55% | 0.545 | 82% | 0.824 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88 | -18.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D489 C493 | D489-A491 PolarHBondContact O-N 3.4Å; A491-C493 PolarHBondContact O-N 2.93Å |
| 492 | E | 32.9 | Very low | 29.1 | Very low | 184 Ų | 184 | 160.1 Ų | 160.1 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | G | 310 helix | trans | -86.1 | 0.7 | -178.3 | -77.4 | -174 | 153.6 | 0 | 0 | 115.1 | Y494 | E492-Y494 VanDerWaalsContact C-N 3.35Å; E492-Y494 PolarHBondContact O-N 3.21Å |
| 493 | C | 35.8 | Very low | 29.1 | Very low | 112 Ų | 112 | 158.6 Ų | 158.6 | 76% | 0.757 | 82% | 0.818 | S | S | * | * | G | 310 helix | trans | -84.5 | 2 | -179.9 | -77.4 | 0 | 0 | 0 | 0 | 115.4 | A491 | A491-C493 PolarHBondContact O-N 2.93Š|
| 494 | Y | 28.3 | Very low | 29.4 | Very low | 217 Ų | 217 | 161.3 Ų | 161.3 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | G | 310 helix | trans | -93.4 | 3.4 | -172.4 | -83.1 | -78.6 | 0 | 0 | 0 | 115.6 | E492 | E492-Y494 VanDerWaalsContact C-N 3.35Å; E492-Y494 PolarHBondContact O-N 3.21Å |
| 495 | G | 31.4 | Very low | 29.8 | Very low | 65 Ų | 65 | 162.8 Ų | 162.8 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | trans | -115.5 | 0.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | K497 | G495-K497 PolarHBondContact O-N 3.09Š| ||
| 496 | L | 30.3 | Very low | 30.2 | Very low | 172 Ų | 172 | 159.9 Ų | 159.9 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -86.6 | 105.4 | -172.4 | -70.9 | 166.7 | 0 | 0 | 0 | 112.2 | ||||
| 497 | K | 28.5 | Very low | 30.6 | Very low | 190 Ų | 190 | 159.4 Ų | 159.4 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -77.3 | 157.8 | 168.3 | -84.2 | -178.1 | 176.1 | 177.3 | 0 | 111.8 | G495 T499 | G495-K497 PolarHBondContact O-N 3.09Å; K497-T499 VanDerWaalsContact C-N 3.26Å; K497-T499 PolarHBondContact O-N 3.21Å | ||
| 498 | E | 33.9 | Very low | 31.1 | Very low | 176 Ų | 176 | 156.4 Ų | 156.4 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 24.6 | -164.7 | -161.3 | 158.6 | -159.3 | 0 | 0 | 116.1 | ||
| 499 | T | 32.2 | Very low | 31.5 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 72% | 0.724 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | -2.1 | -171.8 | 52.2 | 0 | 0 | 0 | 0 | 117.5 | K497 | K497-T499 VanDerWaalsContact C-N 3.26Å; K497-T499 PolarHBondContact O-N 3.21Å |
| 500 | D | 31.8 | Very low | 32.1 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -113.7 | 82.7 | 175.6 | -62.8 | -26 | 0 | 0 | 0 | 110.1 | ||||
| 501 | I | 35.6 | Very low | 32 | Very low | 234 Ų | 234 | 153.7 Ų | 153.7 | 100% | 1.2 | 82% | 0.818 | S | S | * | * | trans | -104.9 | 0 | 165.3 | -65.7 | -179.2 | 0 | 0 | 0 | 108.2 |
Retrieved 501 of 501 residues in 471.4 ms
(Link to these results)