| 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 | 40 | Very low | 34.3 | Very low | 249 Ų | 249 | 147 Ų | 147 | 100% | 1.227 | 85% | 0.85 | S | S | * | * | 0 | 100.8 | 0 | -80.6 | 167.7 | 117.9 | 0 | 0 | 108.3 | |||||
| 2 | S | 28.3 | Very low | 35.1 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -170.1 | 119.6 | 155 | 40.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3 | N | 33 | Very low | 36 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -56.6 | 154 | 172.1 | -88.2 | -20.1 | 0 | 0 | 0 | 112.8 | ||||
| 4 | Q | 31.9 | Very low | 36.2 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -166.6 | 96.7 | 133.6 | -103 | 168.2 | 12.7 | 0 | 0 | 107.8 | ||||
| 5 | S | 30.1 | Very low | 36.5 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | 71.7 | 104.7 | 97 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 6 | F | 33.8 | Very low | 36.8 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | -58.7 | 129 | 161.6 | -131 | -115.4 | 0 | 0 | 0 | 110.1 | I8 | F6-I8 HydrophobicContact CD1-CD1 4.08Å; F6-I8 HydrophobicContact CD1-CG1 3.9Å; F6-I8 HydrophobicContact CE1-CD1 3.52Å; F6-I8 HydrophobicContact CE1-CG1 3.77Å; F6-I8 HydrophobicContact CZ-CD1 4.49Å | ||
| 7 | A | 29.5 | Very low | 37 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -132.4 | 109.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 8 | I | 39.4 | Very low | 37 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -93.3 | 121 | 166 | -70.2 | -175.1 | 0 | 0 | 0 | 105.9 | F6 | F6-I8 HydrophobicContact CD1-CD1 4.08Å; F6-I8 HydrophobicContact CD1-CG1 3.9Å; F6-I8 HydrophobicContact CE1-CD1 3.52Å; F6-I8 HydrophobicContact CE1-CG1 3.77Å; F6-I8 HydrophobicContact CZ-CD1 4.49Å | ||
| 9 | D | 32.8 | Very low | 37 | Very low | 166 Ų | 166 | 128.5 Ų | 128.5 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -146.1 | 125.6 | 157.9 | -90.8 | -37 | 0 | 0 | 0 | 109.6 | ||||
| 10 | G | 36.6 | Very low | 36.9 | Very low | 62 Ų | 62 | 127.2 Ų | 127.2 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | 114.9 | 122.5 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | G12 | G10-G12 VanDerWaalsContact C-N 3.32Å; G10-G12 PolarHBondContact O-N 2.85Å | ||
| 11 | P | 42.3 | Very low | 37 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 96% | 0.961 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -80.7 | 72.9 | -178.7 | 35.2 | -33.3 | 0 | 0 | 0 | 110.9 | ||
| 12 | G | 42.9 | Very low | 36.7 | Very low | 57 Ų | 57 | 123.2 Ų | 123.2 | 59% | 0.588 | 75% | 0.748 | S | S | * | * | trans | -116.9 | -10.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G10 | G10-G12 VanDerWaalsContact C-N 3.32Å; G10-G12 PolarHBondContact O-N 2.85Å | ||
| 13 | S | 47.7 | Very low | 36.8 | Very low | 86 Ų | 86 | 120.1 Ų | 120.1 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -91.3 | -16.6 | -164.7 | 175 | 0 | 0 | 0 | 0 | 115.1 | ||
| 14 | L | 39 | Very low | 36.8 | Very low | 148 Ų | 148 | 118.6 Ų | 118.6 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -84.8 | -23.2 | -176.2 | -129.8 | 113.5 | 0 | 0 | 0 | 113.5 | ||
| 15 | L | 39.8 | Very low | 36.9 | Very low | 149 Ų | 149 | 114.4 Ų | 114.4 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -81.7 | -19.6 | 171.2 | -72.9 | -179.6 | 0 | 0 | 0 | 113.1 | ||
| 16 | A | 41.4 | Very low | 37.3 | Very low | 66 Ų | 66 | 119.8 Ų | 119.8 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | H | α-helix | trans | -76.4 | -25.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 17 | V | 41.2 | Very low | 37.2 | Very low | 105 Ų | 105 | 113.7 Ų | 113.7 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -85.3 | -26.4 | -179 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 18 | L | 35.9 | Very low | 37.6 | Very low | 139 Ų | 139 | 112.6 Ų | 112.6 | 73% | 0.728 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -85.3 | -11.1 | 175.6 | -67.1 | 177 | 0 | 0 | 0 | 114.2 | S20 | L18-S20 VanDerWaalsContact C-N 3.31Å |
| 19 | A | 37.5 | Very low | 37.7 | Very low | 74 Ų | 74 | 111.2 Ų | 111.2 | 61% | 0.612 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 20 | S | 35.5 | Very low | 38.5 | Very low | 102 Ų | 102 | 107.3 Ų | 107.3 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 22 | -175.8 | -154.7 | 0 | 0 | 0 | 0 | 114.3 | L18 | L18-S20 VanDerWaalsContact C-N 3.31Š|
| 21 | Q | 37.6 | Very low | 39.2 | Very low | 191 Ų | 191 | 110.3 Ų | 110.3 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | trans | -134.2 | 21.9 | 175.3 | -86.6 | -156.1 | 40.3 | 0 | 0 | 115.5 | ||||
| 22 | S | 33.8 | Very low | 39.9 | Very low | 102 Ų | 102 | 105.8 Ų | 105.8 | 71% | 0.713 | 70% | 0.7 | S | S | * | * | trans | -102.6 | 77.9 | 159.3 | 61.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 23 | G | 32 | Very low | 41 | Very low | 61 Ų | 61 | 106.2 Ų | 106.2 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | trans | -55.7 | 140.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | A25 | G23-A25 PolarHBondContact O-N 3.21Š| ||
| 24 | P | 32.7 | Very low | 42.2 | Very low | 124 Ų | 124 | 106.9 Ų | 106.9 | 81% | 0.805 | 69% | 0.691 | S | S | * | * | trans | -62.4 | 119.6 | 171.1 | 27.4 | -29.7 | 0 | 0 | 0 | 106.2 | K26 | P24-K26 PolarHBondContact O-N 3.15Š| ||
| 25 | A | 33.3 | Very low | 44.2 | Very low | 95 Ų | 95 | 103.3 Ų | 103.3 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | trans | -47.8 | 114.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | G23 G27 | G23-A25 PolarHBondContact O-N 3.21Å; A25-G27 PolarHBondContact O-N 2.96Å | ||
| 26 | K | 38.3 | Very low | 46.4 | Very low | 218 Ų | 218 | 99.2 Ų | 99.2 | 95% | 0.948 | 66% | 0.659 | S | S | * | * | trans | -65.7 | 73.1 | 164.4 | -86.2 | -179.5 | 173.6 | 176 | 0 | 107.4 | P24 | P24-K26 PolarHBondContact O-N 3.15Š| ||
| 27 | G | 32.5 | Very low | 48.5 | Very low | 61 Ų | 61 | 97.5 Ų | 97.5 | 63% | 0.629 | 65% | 0.645 | S | S | * | * | trans | -93 | 104.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | A25 S29 | A25-G27 PolarHBondContact O-N 2.96Å; G27-S29 PolarHBondContact O-N 2.74Å | ||
| 28 | G | 37.7 | Very low | 50.8 | Low | 76 Ų | 76 | 99.6 Ų | 99.6 | 78% | 0.784 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 72.7 | 17.6 | 139 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||
| 29 | S | 41.2 | Very low | 53.5 | Low | 105 Ų | 105 | 99.6 Ų | 99.6 | 73% | 0.734 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -97.7 | -5.1 | 179.3 | 61.1 | 0 | 0 | 0 | 0 | 116.1 | G27 | G27-S29 PolarHBondContact O-N 2.74Š|
| 30 | S | 49 | Very low | 56 | Low | 85 Ų | 85 | 97.2 Ų | 97.2 | 59% | 0.594 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -90 | -22 | 179 | -63.9 | 0 | 0 | 0 | 0 | 114.1 | S33 N34 | S30-S33 PolarHBondContact O-OG 3.31Å; S30-S33 VanDerWaalsContact O-OG 3.08Å; S30-N34 PolarHBondContact O-ND2 3.47Å; S30-N34 PolarHBondContact O-OD1 3.35Å |
| 31 | D | 51.6 | Low | 58.8 | Low | 125 Ų | 125 | 94.2 Ų | 94.2 | 67% | 0.668 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -78.9 | -38 | -174.8 | -131.8 | 10.2 | 0 | 0 | 0 | 111.9 | V35 | D31-V35 VanDerWaalsContact O-CG2 3.28Å; D31-V35 WeakPolarHBondContact O-CG2 2.85Å; D31-V35 PolarHBondContact O-N 3.03Å |
| 32 | G | 58.2 | Low | 61.5 | Low | 53 Ų | 53 | 88.9 Ų | 88.9 | 55% | 0.546 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.1 | -32.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S36 | G32-S36 PolarHBondContact O-N 3.44Å |
| 33 | S | 64.3 | Low | 64.4 | Low | 65 Ų | 65 | 88.6 Ų | 88.6 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.3 | -39.6 | 177.2 | 53.1 | 0 | 0 | 0 | 0 | 112 | S30 S36 A37 | S30-S33 PolarHBondContact O-OG 3.31Å; S30-S33 VanDerWaalsContact O-OG 3.08Å; S33-S36 PolarHBondContact O-N 2.9Å; S33-A37 PolarHBondContact O-N 3.34Å |
| 34 | N | 74 | Confident | 67.3 | Low | 100 Ų | 100 | 85.7 Ų | 85.7 | 54% | 0.535 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.7 | -41.1 | -178.5 | -65.6 | -12.8 | 0 | 0 | 0 | 111.4 | S30 A37 Y38 | S30-N34 PolarHBondContact O-ND2 3.47Å; S30-N34 PolarHBondContact O-OD1 3.35Å; N34-A37 PolarHBondContact O-N 2.84Å; N34-Y38 WeakPolarHBondContact O-CB 3.2Å; N34-Y38 PolarHBondContact O-N 3.15Å |
| 35 | V | 81.9 | Confident | 70.3 | Confident | 74 Ų | 74 | 80.9 Ų | 80.9 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | D31 A37 Y38 F39 | D31-V35 VanDerWaalsContact O-CG2 3.28Å; D31-V35 WeakPolarHBondContact O-CG2 2.85Å; D31-V35 PolarHBondContact O-N 3.03Å; V35-A37 PolarHBondContact O-N 3.47Å; V35-Y38 PolarHBondContact O-N 3.07Å; V35-F39 HydrophobicContact CG1-CD2 3.75Å; V35-F39 HydrophobicContact CG1-CE2 3.41Å; V35-F39 VanDerWaalsContact CG1-CE2 3.41Å; V35-F39 WeakPolarHBondContact O-CD2 3.37Å; V35-F39 PolarHBondContact O-N 2.89Å; V35-F39 VanDerWaalsContact O-N 3.1Å |
| 36 | S | 84.3 | Confident | 73.3 | Confident | 62 Ų | 62 | 81.2 Ų | 81.2 | 43% | 0.434 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 178.1 | -174 | 0 | 0 | 0 | 0 | 112.8 | G32 S33 K40 | G32-S36 PolarHBondContact O-N 3.44Å; S33-S36 PolarHBondContact O-N 2.9Å; S36-K40 WeakPolarHBondContact O-CG 3.23Å; S36-K40 PolarHBondContact O-N 2.84Å; S36-K40 VanDerWaalsContact O-N 3.15Å |
| 37 | A | 86.2 | Confident | 76 | Confident | 31 Ų | 31 | 71.3 Ų | 71.3 | 26% | 0.256 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S33 N34 V35 F39 K40 L41 | S33-A37 PolarHBondContact O-N 3.34Å; N34-A37 PolarHBondContact O-N 2.84Å; V35-A37 PolarHBondContact O-N 3.47Å; A37-F39 PolarHBondContact O-N 3.47Å; A37-K40 WeakPolarHBondContact O-CB 3.33Å; A37-K40 PolarHBondContact O-N 2.89Å; A37-L41 WeakPolarHBondContact O-CG 3.24Å; A37-L41 PolarHBondContact O-N 3.34Å |
| 38 | Y | 90.3 | Very high | 79 | Confident | 149 Ų | 149 | 69.5 Ų | 69.5 | 58% | 0.584 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.1 | -46.5 | 175.8 | -178.5 | -97.3 | 0 | 0 | 0 | 112.3 | N34 V35 K40 L41 V42 | N34-Y38 WeakPolarHBondContact O-CB 3.2Å; N34-Y38 PolarHBondContact O-N 3.15Å; V35-Y38 PolarHBondContact O-N 3.07Å; Y38-K40 VanDerWaalsContact C-N 3.34Å; Y38-K40 PolarHBondContact O-N 3.48Å; Y38-L41 PolarHBondContact O-N 3.45Å; Y38-V42 HydrophobicContact CD1-CG2 4.19Å; Y38-V42 HydrophobicContact CE1-CG2 3.74Å; Y38-V42 HydrophobicContact CE2-CG2 4.1Å; Y38-V42 WeakPolarHBondContact O-CG2 3.23Å; Y38-V42 PolarHBondContact O-N 2.79Å |
| 39 | F | 91.3 | Very high | 81.8 | Confident | 138 Ų | 138 | 69.6 Ų | 69.6 | 61% | 0.605 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.4 | -43.3 | 175.5 | -79.6 | -63.3 | 0 | 0 | 0 | 112.4 | V35 A37 F43 | V35-F39 HydrophobicContact CG1-CD2 3.75Å; V35-F39 HydrophobicContact CG1-CE2 3.41Å; V35-F39 VanDerWaalsContact CG1-CE2 3.41Å; V35-F39 WeakPolarHBondContact O-CD2 3.37Å; V35-F39 PolarHBondContact O-N 2.89Å; V35-F39 VanDerWaalsContact O-N 3.1Å; A37-F39 PolarHBondContact O-N 3.47Å; F39-F43 WeakPolarHBondContact O-CB 3.46Å; F39-F43 PolarHBondContact O-N 3.36Å |
| 40 | K | 91 | Very high | 84.4 | Confident | 24 Ų | 24 | 67 Ų | 67 | 10% | 0.104 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 174.7 | -75 | 179.7 | 178.6 | -170.1 | 0 | 111.3 | S36 A37 Y38 F43 L44 V98 D187 S338 W342 | S36-K40 WeakPolarHBondContact O-CG 3.23Å; S36-K40 PolarHBondContact O-N 2.84Å; S36-K40 VanDerWaalsContact O-N 3.15Å; A37-K40 WeakPolarHBondContact O-CB 3.33Å; A37-K40 PolarHBondContact O-N 2.89Å; Y38-K40 VanDerWaalsContact C-N 3.34Å; Y38-K40 PolarHBondContact O-N 3.48Å; K40-F43 PolarHBondContact O-N 3.38Å; K40-L44 WeakPolarHBondContact O-CB 3.5Å; K40-L44 PolarHBondContact O-N 3.43Å; K40-V98 HydrophobicContact CB-CG1 3.71Å; K40-V98 HydrophobicContact CD-CG1 4.22Å; K40-D187 IonicContact NZ-OD1 2.71Å; K40-D187 IonicContact NZ-OD2 3.36Å; K40-D187 PolarHBondContact NZ-OD2 3.09Å; K40-S338 WeakPolarHBondContact CE-OG 3.44Å; K40-W342 HydrophobicContact CB-CH2 3.61Å; K40-W342 HydrophobicContact CB-CZ2 3.43Å; K40-W342 VanDerWaalsContact CB-CZ2 3.43Å; K40-W342 HydrophobicContact CD-CZ2 3.82Å; K40-W342 HydrophobicContact CG-CH2 4.14Å; K40-W342 HydrophobicContact CG-CZ2 3.49Å; K40-W342 VanDerWaalsContact CG-CZ2 3.49Å; K40-W342 WeakPolarHBondContact O-CH2 3.42Å; K40-W342 VanDerWaalsContact O-CZ3 3.31Å; K40-W342 WeakPolarHBondContact O-CZ3 3.43Å |
| 41 | L | 93.2 | Very high | 86.6 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 179.8 | -71.5 | 172.4 | 0 | 0 | 0 | 112.7 | A37 Y38 F43 L44 G45 L95 V98 H99 | A37-L41 WeakPolarHBondContact O-CG 3.24Å; A37-L41 PolarHBondContact O-N 3.34Å; Y38-L41 PolarHBondContact O-N 3.45Å; L41-F43 VanDerWaalsContact C-N 3.34Å; L41-F43 PolarHBondContact O-N 2.95Å; L41-L44 PolarHBondContact O-N 3.1Å; L41-G45 PolarHBondContact O-N 3Å; L41-L95 HydrophobicContact CD2-CG 4Å; L41-L95 WeakPolarHBondContact CD2-O 3.24Å; L41-V98 HydrophobicContact CD2-CB 3.98Å; L41-V98 HydrophobicContact CD2-CG1 3.82Å; L41-V98 HydrophobicContact CG-CG1 3.86Å; L41-H99 HydrophobicContact CD1-CB 4.49Å; L41-H99 HydrophobicContact CD2-CB 4.07Å |
| 42 | V | 94.6 | Very high | 88.8 | Confident | 79 Ų | 79 | 59.2 Ų | 59.2 | 48% | 0.479 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 179.5 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | Y38 G45 L46 | Y38-V42 HydrophobicContact CD1-CG2 4.19Å; Y38-V42 HydrophobicContact CE1-CG2 3.74Å; Y38-V42 HydrophobicContact CE2-CG2 4.1Å; Y38-V42 WeakPolarHBondContact O-CG2 3.23Å; Y38-V42 PolarHBondContact O-N 2.79Å; V42-G45 PolarHBondContact O-N 2.93Å; V42-L46 PolarHBondContact O-N 3.49Å |
| 43 | F | 94.1 | Very high | 90.6 | Very high | 96 Ų | 96 | 61.5 Ų | 61.5 | 42% | 0.421 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | -179.3 | -171.9 | -119.2 | 0 | 0 | 0 | 112.2 | F39 K40 L41 L46 I47 W342 | F39-F43 WeakPolarHBondContact O-CB 3.46Å; F39-F43 PolarHBondContact O-N 3.36Å; K40-F43 PolarHBondContact O-N 3.38Å; L41-F43 VanDerWaalsContact C-N 3.34Å; L41-F43 PolarHBondContact O-N 2.95Å; F43-L46 PolarHBondContact O-N 2.78Å; F43-I47 HydrophobicContact CD1-CD1 3.82Å; F43-I47 HydrophobicContact CE1-CD1 3.56Å; F43-I47 HydrophobicContact CE1-CG1 4.47Å; F43-I47 HydrophobicContact CG-CD1 4.43Å; F43-I47 HydrophobicContact CZ-CD1 3.96Å; F43-I47 HydrophobicContact CZ-CG1 4.46Å; F43-I47 WeakPolarHBondContact O-CG1 3.48Å; F43-I47 PolarHBondContact O-N 3.23Å; F43-W342 AromaticContact CD1-CE3 3.58Å; F43-W342 HydrophobicContact CD1-CE3 3.58Å; F43-W342 HydrophobicContact CD1-CZ3 4.02Å; F43-W342 HydrophobicContact CE1-CE3 4.16Å |
| 44 | L | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 175 | -164.1 | 53.1 | 0 | 0 | 0 | 111.7 | K40 L41 L46 I47 I48 F91 V94 L95 W342 F345 | K40-L44 WeakPolarHBondContact O-CB 3.5Å; K40-L44 PolarHBondContact O-N 3.43Å; L41-L44 PolarHBondContact O-N 3.1Å; L44-L46 VanDerWaalsContact C-N 3.3Å; L44-L46 PolarHBondContact O-N 3.11Å; L44-I47 PolarHBondContact O-N 3.36Å; L44-I47 VanDerWaalsContact O-N 3.17Å; L44-I48 HydrophobicContact CG-CD1 4.12Å; L44-I48 VanDerWaalsContact O-CG1 3.28Å; L44-I48 WeakPolarHBondContact O-CG1 3.44Å; L44-I48 PolarHBondContact O-N 3.43Å; L44-F91 HydrophobicContact CD1-CB 4.43Å; L44-F91 HydrophobicContact CD1-CG 4.42Å; L44-V94 HydrophobicContact CD2-CB 4.06Å; L44-V94 HydrophobicContact CD2-CG1 3.84Å; L44-L95 HydrophobicContact CB-CD1 4.24Å; L44-L95 HydrophobicContact CD2-CB 3.73Å; L44-L95 HydrophobicContact CD2-CD1 4.35Å; L44-L95 HydrophobicContact CD2-CG 4.47Å; L44-L95 HydrophobicContact CG-CB 4.49Å; L44-L95 HydrophobicContact CG-CD1 4.35Å; L44-W342 HydrophobicContact CB-CH2 3.69Å; L44-W342 HydrophobicContact CB-CZ3 3.52Å; L44-W342 HydrophobicContact CD1-CH2 4.38Å; L44-W342 HydrophobicContact CD1-CZ3 3.94Å; L44-W342 HydrophobicContact CD2-CH2 4.07Å; L44-W342 HydrophobicContact CD2-CZ3 4.43Å; L44-W342 HydrophobicContact CG-CH2 4.27Å; L44-W342 HydrophobicContact CG-CZ3 4.15Å; L44-F345 HydrophobicContact CD1-CD2 4.11Å |
| 45 | G | 95.7 | Very high | 93.1 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 24% | 0.237 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.2 | -45 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L41 V42 I48 C49 | L41-G45 PolarHBondContact O-N 3Å; V42-G45 PolarHBondContact O-N 2.93Å; G45-I48 PolarHBondContact O-N 3.33Å; G45-C49 PolarHBondContact O-N 3.06Å; G45-C49 PolarHBondContact O-SG 3.35Å; G45-C49 VanDerWaalsContact O-SG 3.38Å |
| 46 | L | 95.5 | Very high | 93.7 | Very high | 101 Ų | 101 | 55 Ų | 55 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 174.2 | -175.8 | 72.1 | 0 | 0 | 0 | 111.8 | V42 F43 L44 I48 C49 V50 | V42-L46 PolarHBondContact O-N 3.49Å; F43-L46 PolarHBondContact O-N 2.78Å; L44-L46 VanDerWaalsContact C-N 3.3Å; L44-L46 PolarHBondContact O-N 3.11Å; L46-I48 VanDerWaalsContact C-N 3.34Å; L46-I48 PolarHBondContact O-N 3.43Å; L46-C49 PolarHBondContact O-N 3.24Å; L46-V50 HydrophobicContact CD1-CG2 4.14Å; L46-V50 HydrophobicContact CG-CG2 4.25Å; L46-V50 WeakPolarHBondContact O-CB 3.26Å; L46-V50 VanDerWaalsContact O-CG2 3.29Å; L46-V50 WeakPolarHBondContact O-CG2 3.11Å; L46-V50 PolarHBondContact O-N 2.93Å |
| 47 | I | 95.5 | Very high | 94.2 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 177.2 | -70.9 | 166.8 | 0 | 0 | 0 | 110.6 | F43 L44 S51 F91 F345 A346 A348 | F43-I47 HydrophobicContact CD1-CD1 3.82Å; F43-I47 HydrophobicContact CE1-CD1 3.56Å; F43-I47 HydrophobicContact CE1-CG1 4.47Å; F43-I47 HydrophobicContact CG-CD1 4.43Å; F43-I47 HydrophobicContact CZ-CD1 3.96Å; F43-I47 HydrophobicContact CZ-CG1 4.46Å; F43-I47 WeakPolarHBondContact O-CG1 3.48Å; F43-I47 PolarHBondContact O-N 3.23Å; L44-I47 PolarHBondContact O-N 3.36Å; L44-I47 VanDerWaalsContact O-N 3.17Å; I47-S51 WeakPolarHBondContact O-CB 3.17Å; I47-S51 PolarHBondContact O-N 3.13Å; I47-F91 HydrophobicContact CG2-CD2 4.27Å; I47-F91 HydrophobicContact CG2-CE2 3.73Å; I47-F91 HydrophobicContact CG2-CZ 4.47Å; I47-F345 HydrophobicContact CD1-CB 4.25Å; I47-A346 HydrophobicContact CD1-CB 4.3Å; I47-A348 HydrophobicContact CG2-CB 4.45Å |
| 48 | I | 96.3 | Very high | 94.5 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 178.5 | -68 | 164.4 | 0 | 0 | 0 | 110.1 | L44 G45 L46 S51 L52 F91 L95 | L44-I48 HydrophobicContact CG-CD1 4.12Å; L44-I48 VanDerWaalsContact O-CG1 3.28Å; L44-I48 WeakPolarHBondContact O-CG1 3.44Å; L44-I48 PolarHBondContact O-N 3.43Å; G45-I48 PolarHBondContact O-N 3.33Å; L46-I48 VanDerWaalsContact C-N 3.34Å; L46-I48 PolarHBondContact O-N 3.43Å; I48-S51 PolarHBondContact O-N 3.49Å; I48-L52 HydrophobicContact CG2-CD1 3.69Å; I48-L52 HydrophobicContact CG2-CG 4.36Å; I48-L52 WeakPolarHBondContact O-CB 3.05Å; I48-L52 VanDerWaalsContact O-CG 3.32Å; I48-L52 WeakPolarHBondContact O-CG 3.28Å; I48-L52 PolarHBondContact O-N 3.5Å; I48-F91 HydrophobicContact CD1-CB 3.75Å; I48-F91 HydrophobicContact CG1-CB 3.56Å; I48-F91 HydrophobicContact CG1-CD2 3.85Å; I48-F91 HydrophobicContact CG1-CG 4.21Å; I48-L95 HydrophobicContact CD1-CD1 4.07Å |
| 49 | C | 96.2 | Very high | 94.8 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 52% | 0.52 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.3 | -51.3 | -179.6 | -72.8 | 0 | 0 | 0 | 0 | 112.1 | G45 L46 S51 L52 V53 | G45-C49 PolarHBondContact O-N 3.06Å; G45-C49 PolarHBondContact O-SG 3.35Å; G45-C49 VanDerWaalsContact O-SG 3.38Å; L46-C49 PolarHBondContact O-N 3.24Å; C49-S51 VanDerWaalsContact C-N 3.35Å; C49-S51 PolarHBondContact O-N 3.22Å; C49-L52 PolarHBondContact O-N 3.48Å; C49-V53 WeakPolarHBondContact O-CB 3.43Å; C49-V53 VanDerWaalsContact O-CG2 3.29Å; C49-V53 WeakPolarHBondContact O-CG2 3.49Å; C49-V53 PolarHBondContact O-N 3.43Å |
| 50 | V | 95.7 | Very high | 94.9 | Very high | 50 Ų | 50 | 45.9 Ų | 45.9 | 30% | 0.303 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | -179.2 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L46 G54 I353 | L46-V50 HydrophobicContact CD1-CG2 4.14Å; L46-V50 HydrophobicContact CG-CG2 4.25Å; L46-V50 WeakPolarHBondContact O-CB 3.26Å; L46-V50 VanDerWaalsContact O-CG2 3.29Å; L46-V50 WeakPolarHBondContact O-CG2 3.11Å; L46-V50 PolarHBondContact O-N 2.93Å; V50-G54 WeakPolarHBondContact O-CA 3.44Å; V50-G54 PolarHBondContact O-N 2.98Å; V50-I353 HydrophobicContact CG1-CD1 3.82Å; V50-I353 HydrophobicContact CG1-CG1 4.34Å |
| 51 | S | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -49.6 | 179.3 | -178 | 0 | 0 | 0 | 0 | 111.8 | I47 I48 C49 N55 S87 A348 | I47-S51 WeakPolarHBondContact O-CB 3.17Å; I47-S51 PolarHBondContact O-N 3.13Å; I48-S51 PolarHBondContact O-N 3.49Å; C49-S51 VanDerWaalsContact C-N 3.35Å; C49-S51 PolarHBondContact O-N 3.22Å; S51-N55 WeakPolarHBondContact O-CB 3.31Å; S51-N55 PolarHBondContact O-N 3.29Å; S51-N55 PolarHBondContact O-ND2 2.96Å; S51-N55 PolarHBondContact OG-ND2 2.94Å; S51-S87 WeakPolarHBondContact CB-OG 3.39Å; S51-S87 PolarHBondContact OG-OG 3.16Å; S51-A348 WeakPolarHBondContact OG-CB 3.48Å; S51-A348 PolarHBondContact OG-O 3.5Å |
| 52 | L | 96.3 | Very high | 94.9 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.7 | -52.7 | -179.7 | -72 | 173.9 | 0 | 0 | 0 | 111.3 | I48 C49 G54 L56 A84 A88 | I48-L52 HydrophobicContact CG2-CD1 3.69Å; I48-L52 HydrophobicContact CG2-CG 4.36Å; I48-L52 WeakPolarHBondContact O-CB 3.05Å; I48-L52 VanDerWaalsContact O-CG 3.32Å; I48-L52 WeakPolarHBondContact O-CG 3.28Å; I48-L52 PolarHBondContact O-N 3.5Å; C49-L52 PolarHBondContact O-N 3.48Å; L52-G54 PolarHBondContact O-N 3.41Å; L52-L56 WeakPolarHBondContact O-CB 3.44Å; L52-L56 WeakPolarHBondContact O-CD1 3.38Å; L52-L56 WeakPolarHBondContact O-CG 3.24Å; L52-L56 PolarHBondContact O-N 3.17Å; L52-A84 HydrophobicContact CD2-CB 4.48Å; L52-A84 WeakPolarHBondContact CD2-O 3.45Å; L52-A88 HydrophobicContact CD2-CB 3.98Å |
| 53 | V | 95.9 | Very high | 94.8 | Very high | 102 Ų | 102 | 44.1 Ų | 44.1 | 62% | 0.618 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.9 | -46.7 | -178.5 | 175 | 0 | 0 | 0 | 0 | 110.6 | C49 L57 | C49-V53 WeakPolarHBondContact O-CB 3.43Å; C49-V53 VanDerWaalsContact O-CG2 3.29Å; C49-V53 WeakPolarHBondContact O-CG2 3.49Å; C49-V53 PolarHBondContact O-N 3.43Å; V53-L57 WeakPolarHBondContact O-CB 3.26Å; V53-L57 PolarHBondContact O-N 3Å |
| 54 | G | 94.8 | Very high | 94.6 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.1 | -49.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V50 L52 L57 V58 P352 | V50-G54 WeakPolarHBondContact O-CA 3.44Å; V50-G54 PolarHBondContact O-N 2.98Å; L52-G54 PolarHBondContact O-N 3.41Å; G54-L57 PolarHBondContact O-N 3.44Å; G54-V58 WeakPolarHBondContact O-CG2 3.34Å; G54-V58 PolarHBondContact O-N 3.38Å; G54-P352 WeakPolarHBondContact O-CB 3.24Å |
| 55 | N | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.4 | -36.9 | -177.9 | -73.4 | -60.9 | 0 | 0 | 0 | 112.3 | S51 S59 C80 A84 A348 P352 | S51-N55 WeakPolarHBondContact O-CB 3.31Å; S51-N55 PolarHBondContact O-N 3.29Å; S51-N55 PolarHBondContact O-ND2 2.96Å; S51-N55 PolarHBondContact OG-ND2 2.94Å; N55-S59 VanDerWaalsContact O-CB 3.31Å; N55-S59 WeakPolarHBondContact O-CB 3.49Å; N55-S59 PolarHBondContact O-N 3.43Å; N55-S59 PolarHBondContact O-OG 2.92Å; N55-C80 HydrophobicContact CB-CB 4.1Å; N55-C80 WeakPolarHBondContact CB-O 3.42Å; N55-C80 PolarHBondContact OD1-SG 3.14Å; N55-C80 VanDerWaalsContact OD1-SG 3.35Å; N55-A84 HydrophobicContact CB-CB 4.12Å; N55-A348 PolarHBondContact ND2-O 3.04Å; N55-A348 VanDerWaalsContact ND2-O 3.12Å; N55-P352 WeakPolarHBondContact OD1-CD 3.11Å |
| 56 | L | 95.6 | Very high | 93.9 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 47% | 0.466 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 173.5 | -67.6 | 174.3 | 0 | 0 | 0 | 111.5 | L52 S59 M60 A84 | L52-L56 WeakPolarHBondContact O-CB 3.44Å; L52-L56 WeakPolarHBondContact O-CD1 3.38Å; L52-L56 WeakPolarHBondContact O-CG 3.24Å; L52-L56 PolarHBondContact O-N 3.17Å; L56-S59 PolarHBondContact O-N 3.44Å; L56-M60 WeakPolarHBondContact O-CB 3.4Å; L56-M60 VanDerWaalsContact O-CG 3.24Å; L56-M60 WeakPolarHBondContact O-CG 3.44Å; L56-M60 PolarHBondContact O-N 3.09Å; L56-A84 HydrophobicContact CD2-CB 4.27Å; L56-A84 HydrophobicContact CG-CB 4.47Å |
| 57 | L | 94.1 | Very high | 93.3 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 175.4 | 177 | 62.6 | 0 | 0 | 0 | 111.5 | V53 G54 S59 M60 L61 L356 L366 | V53-L57 WeakPolarHBondContact O-CB 3.26Å; V53-L57 PolarHBondContact O-N 3Å; G54-L57 PolarHBondContact O-N 3.44Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-S59 PolarHBondContact O-N 3.32Å; L57-M60 PolarHBondContact O-N 3.48Å; L57-L61 HydrophobicContact CD1-CD1 4.43Å; L57-L61 HydrophobicContact CD1-CG 4.37Å; L57-L61 HydrophobicContact CG-CD1 4.29Å; L57-L61 VanDerWaalsContact O-CG 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.34Å; L57-L61 PolarHBondContact O-N 3.48Å; L57-L356 HydrophobicContact CD2-CD1 4.11Å; L57-L366 HydrophobicContact CD1-CD1 4.18Å; L57-L366 HydrophobicContact CD2-CD1 4.3Å |
| 58 | V | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | G54 M60 L61 V62 L76 P352 C355 L356 L362 | G54-V58 WeakPolarHBondContact O-CG2 3.34Å; G54-V58 PolarHBondContact O-N 3.38Å; V58-M60 VanDerWaalsContact C-N 3.35Å; V58-M60 PolarHBondContact O-N 3.31Å; V58-L61 PolarHBondContact O-N 3.33Å; V58-V62 WeakPolarHBondContact O-CG2 2.93Å; V58-V62 PolarHBondContact O-N 3.19Å; V58-L76 HydrophobicContact CG1-CD2 4.23Å; V58-L76 HydrophobicContact CG1-CG 4.37Å; V58-P352 HydrophobicContact CG2-CB 4.08Å; V58-C355 HydrophobicContact CG2-CB 4.48Å; V58-L356 HydrophobicContact CG2-CD1 4.2Å; V58-L356 HydrophobicContact CG2-CD2 3.91Å; V58-L356 HydrophobicContact CG2-CG 3.79Å; V58-L362 HydrophobicContact CG1-CD1 4.43Å |
| 59 | S | 94.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.028 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 177.4 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | N55 L56 L57 V62 L63 C80 | N55-S59 VanDerWaalsContact O-CB 3.31Å; N55-S59 WeakPolarHBondContact O-CB 3.49Å; N55-S59 PolarHBondContact O-N 3.43Å; N55-S59 PolarHBondContact O-OG 2.92Å; L56-S59 PolarHBondContact O-N 3.44Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-S59 PolarHBondContact O-N 3.32Å; S59-V62 PolarHBondContact O-N 3.47Å; S59-L63 WeakPolarHBondContact O-CB 3.49Å; S59-L63 VanDerWaalsContact O-CG 3.28Å; S59-L63 WeakPolarHBondContact O-CG 3.46Å; S59-L63 PolarHBondContact O-N 2.77Å; S59-C80 WeakPolarHBondContact OG-CB 3.26Å |
| 60 | M | 93.4 | Very high | 92 | Very high | 122 Ų | 122 | 62 Ų | 62 | 60% | 0.601 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.5 | -43 | 177.4 | -76.6 | -65.5 | -68.9 | 0 | 0 | 112.5 | L56 L57 V58 V62 L63 R64 | L56-M60 WeakPolarHBondContact O-CB 3.4Å; L56-M60 VanDerWaalsContact O-CG 3.24Å; L56-M60 WeakPolarHBondContact O-CG 3.44Å; L56-M60 PolarHBondContact O-N 3.09Å; L57-M60 PolarHBondContact O-N 3.48Å; V58-M60 VanDerWaalsContact C-N 3.35Å; V58-M60 PolarHBondContact O-N 3.31Å; M60-V62 PolarHBondContact O-N 2.87Å; M60-L63 PolarHBondContact O-N 2.99Å; M60-R64 VanDerWaalsContact O-CB 3.23Å; M60-R64 WeakPolarHBondContact O-CB 3.36Å; M60-R64 PolarHBondContact O-N 3.34Å |
| 61 | L | 92.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 177.6 | -68.3 | 171 | 0 | 0 | 0 | 111.6 | L57 V58 D65 L356 L362 V365 L366 | L57-L61 HydrophobicContact CD1-CD1 4.43Å; L57-L61 HydrophobicContact CD1-CG 4.37Å; L57-L61 HydrophobicContact CG-CD1 4.29Å; L57-L61 VanDerWaalsContact O-CG 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.34Å; L57-L61 PolarHBondContact O-N 3.48Å; V58-L61 PolarHBondContact O-N 3.33Å; L61-D65 PolarHBondContact O-N 2.94Å; L61-L356 HydrophobicContact CD1-CD2 3.94Å; L61-L362 HydrophobicContact CB-CD2 4.17Å; L61-V365 HydrophobicContact CD2-CG1 3.9Å; L61-L366 HydrophobicContact CD1-CB 4.1Å; L61-L366 HydrophobicContact CD1-CD1 4.31Å; L61-L366 HydrophobicContact CD2-CB 4.31Å; L61-L366 HydrophobicContact CD2-CD1 4.38Å |
| 62 | V | 92.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 179.1 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | V58 S59 M60 R64 H69 Y73 L77 L362 | V58-V62 WeakPolarHBondContact O-CG2 2.93Å; V58-V62 PolarHBondContact O-N 3.19Å; S59-V62 PolarHBondContact O-N 3.47Å; M60-V62 PolarHBondContact O-N 2.87Å; V62-R64 VanDerWaalsContact C-N 3.34Å; V62-H69 PolarHBondContact O-CD2 3.38Å; V62-H69 PolarHBondContact O-NE2 3.34Å; V62-Y73 HydrophobicContact CG2-CD1 4.35Å; V62-L77 HydrophobicContact CG1-CB 4.24Å; V62-L362 HydrophobicContact CG2-CD2 4.03Å |
| 63 | L | 92.4 | Very high | 91.1 | Very high | 97 Ų | 97 | 58.2 Ų | 58.2 | 51% | 0.508 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.8 | -30.4 | -180 | -72.7 | 172.3 | 0 | 0 | 0 | 113.2 | S59 M60 L77 | S59-L63 WeakPolarHBondContact O-CB 3.49Å; S59-L63 VanDerWaalsContact O-CG 3.28Å; S59-L63 WeakPolarHBondContact O-CG 3.46Å; S59-L63 PolarHBondContact O-N 2.77Å; M60-L63 PolarHBondContact O-N 2.99Å; L63-L77 HydrophobicContact CD1-CD1 4.31Å; L63-L77 HydrophobicContact CD2-CD1 4.44Å; L63-L77 HydrophobicContact CD2-CD2 3.67Å; L63-L77 HydrophobicContact CG-CD1 4.04Å; L63-L77 HydrophobicContact CG-CD2 4.17Å |
| 64 | R | 89.5 | Confident | 91.1 | Very high | 187 Ų | 187 | 55.4 Ų | 55.4 | 71% | 0.706 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -81.1 | -40.7 | -175.9 | -166.7 | 65.4 | 170 | 130 | -3.4 | 112.2 | M60 V62 | M60-R64 VanDerWaalsContact O-CB 3.23Å; M60-R64 WeakPolarHBondContact O-CB 3.36Å; M60-R64 PolarHBondContact O-N 3.34Å; V62-R64 VanDerWaalsContact C-N 3.34Å |
| 65 | D | 88.3 | Confident | 91.1 | Very high | 39 Ų | 39 | 55 Ų | 55 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | trans | -96.5 | 112.6 | -173.7 | -162.3 | -31.4 | 0 | 0 | 0 | 112.5 | L61 T67 L68 V365 | L61-D65 PolarHBondContact O-N 2.94Å; D65-T67 PolarHBondContact O-N 3.4Å; D65-T67 VanDerWaalsContact OD1-CB 3.27Å; D65-T67 WeakPolarHBondContact OD1-CB 3.12Å; D65-T67 VanDerWaalsContact OD1-CG2 3.31Å; D65-T67 WeakPolarHBondContact OD1-CG2 3.13Å; D65-T67 PolarHBondContact OD1-N 2.87Å; D65-T67 PolarHBondContact OD1-OG1 3.25Å; D65-T67 PolarHBondContact OD2-OG1 3.48Å; D65-L68 HydrophobicContact CB-CD1 4.17Å; D65-L68 HydrophobicContact CB-CG 4.28Å; D65-L68 PolarHBondContact O-N 2.89Å; D65-L68 VanDerWaalsContact O-N 3.12Å; D65-V365 HydrophobicContact CB-CG1 3.86Å; D65-V365 HydrophobicContact CB-CG2 4.16Å; D65-V365 WeakPolarHBondContact OD2-CG2 3.35Å | ||
| 66 | R | 86.2 | Confident | 91 | Very high | 203 Ų | 203 | 55 Ų | 55 | 77% | 0.766 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -62.1 | -24.1 | 177.5 | -63.7 | -64.8 | -176.7 | 119.3 | -2.9 | 113 | L68 H69 | R66-L68 PolarHBondContact O-N 2.98Å; R66-H69 WeakPolarHBondContact O-CB 3.47Å; R66-H69 PolarHBondContact O-N 3.22Å |
| 67 | T | 84 | Confident | 90.9 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 60% | 0.601 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -66.3 | -26.8 | 178.2 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | D65 | D65-T67 PolarHBondContact O-N 3.4Å; D65-T67 VanDerWaalsContact OD1-CB 3.27Å; D65-T67 WeakPolarHBondContact OD1-CB 3.12Å; D65-T67 VanDerWaalsContact OD1-CG2 3.31Å; D65-T67 WeakPolarHBondContact OD1-CG2 3.13Å; D65-T67 PolarHBondContact OD1-N 2.87Å; D65-T67 PolarHBondContact OD1-OG1 3.25Å; D65-T67 PolarHBondContact OD2-OG1 3.48Å |
| 68 | L | 84.6 | Confident | 91.1 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -87.3 | -1.9 | 178.1 | -60.2 | 176.7 | 0 | 0 | 0 | 113.1 | D65 R66 K70 Y73 D361 L362 V365 | D65-L68 HydrophobicContact CB-CD1 4.17Å; D65-L68 HydrophobicContact CB-CG 4.28Å; D65-L68 PolarHBondContact O-N 2.89Å; D65-L68 VanDerWaalsContact O-N 3.12Å; R66-L68 PolarHBondContact O-N 2.98Å; L68-K70 PolarHBondContact O-N 2.96Å; L68-Y73 HydrophobicContact CB-CD2 4.35Å; L68-Y73 HydrophobicContact CB-CG 4.35Å; L68-Y73 HydrophobicContact CD2-CE1 4Å; L68-Y73 HydrophobicContact CD2-CE2 3.98Å; L68-Y73 WeakPolarHBondContact O-CB 3.4Å; L68-Y73 WeakPolarHBondContact O-CD2 3.33Å; L68-Y73 VanDerWaalsContact O-CG 3.22Å; L68-D361 HydrophobicContact CD2-CB 3.84Å; L68-L362 HydrophobicContact CD1-CD2 3.65Å; L68-V365 HydrophobicContact CD1-CG2 4.07Å; L68-V365 HydrophobicContact CG-CG2 4.48Å |
| 69 | H | 88 | Confident | 91.1 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 29% | 0.292 | 23% | 0.232 | S | C | . | . | trans | -75.1 | 67.3 | 178.9 | -71.5 | -171.4 | 0 | 0 | 0 | 112.2 | V62 R66 F74 | V62-H69 PolarHBondContact O-CD2 3.38Å; V62-H69 PolarHBondContact O-NE2 3.34Å; R66-H69 WeakPolarHBondContact O-CB 3.47Å; R66-H69 PolarHBondContact O-N 3.22Å; H69-F74 HydrophobicContact CB-CZ 4.08Å | ||
| 70 | K | 87.7 | Confident | 91.1 | Very high | 115 Ų | 115 | 50 Ų | 50 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -117.8 | 155 | 172 | -51 | -70.5 | -173.4 | 170.2 | 0 | 109 | L68 P72 Y73 F74 | L68-K70 PolarHBondContact O-N 2.96Å; K70-P72 VanDerWaalsContact C-CD 3.44Å; K70-P72 HydrophobicContact CB-CG 4.28Å; K70-Y73 HydrophobicContact CB-CD2 4.02Å; K70-Y73 HydrophobicContact CG-CD2 4.4Å; K70-Y73 WeakPolarHBondContact O-CB 3.46Å; K70-Y73 PolarHBondContact O-N 2.96Å; K70-F74 PolarHBondContact O-N 3.48Å |
| 71 | A | 88.7 | Confident | 91.3 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -42.8 | -49.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y73 F74 F75 M150 C155 | A71-Y73 VanDerWaalsContact C-N 3.26Å; A71-Y73 PolarHBondContact O-N 3.49Å; A71-F74 PolarHBondContact O-N 3.29Å; A71-F75 PolarHBondContact O-N 2.84Å; A71-M150 HydrophobicContact CB-CB 4.43Å; A71-M150 HydrophobicContact CB-CE 3.63Å; A71-C155 VanDerWaalsContact CB-SG 3.54Å |
| 72 | P | 89.1 | Confident | 91.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -32.1 | -179.7 | 22 | -33.2 | 0 | 0 | 0 | 113.7 | K70 F75 L76 Y146 F303 | K70-P72 VanDerWaalsContact C-CD 3.44Å; K70-P72 HydrophobicContact CB-CG 4.28Å; P72-F75 PolarHBondContact O-N 3.3Å; P72-L76 PolarHBondContact O-N 2.78Å; P72-Y146 WeakPolarHBondContact CD-OH 3.44Å; P72-F303 HydrophobicContact CB-CE2 3.58Å; P72-F303 HydrophobicContact CB-CZ 3.85Å; P72-F303 WeakPolarHBondContact O-CZ 3.37Å |
| 73 | Y | 91.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.5 | -27.3 | 179.7 | -70.5 | -71.6 | 0 | 0 | 0 | 112.4 | V62 L68 K70 A71 L76 L77 L299 N359 L362 | V62-Y73 HydrophobicContact CG2-CD1 4.35Å; L68-Y73 HydrophobicContact CB-CD2 4.35Å; L68-Y73 HydrophobicContact CB-CG 4.35Å; L68-Y73 HydrophobicContact CD2-CE1 4Å; L68-Y73 HydrophobicContact CD2-CE2 3.98Å; L68-Y73 WeakPolarHBondContact O-CB 3.4Å; L68-Y73 WeakPolarHBondContact O-CD2 3.33Å; L68-Y73 VanDerWaalsContact O-CG 3.22Å; K70-Y73 HydrophobicContact CB-CD2 4.02Å; K70-Y73 HydrophobicContact CG-CD2 4.4Å; K70-Y73 WeakPolarHBondContact O-CB 3.46Å; K70-Y73 PolarHBondContact O-N 2.96Å; A71-Y73 VanDerWaalsContact C-N 3.26Å; A71-Y73 PolarHBondContact O-N 3.49Å; Y73-L76 HydrophobicContact CD1-CD2 4.23Å; Y73-L76 PolarHBondContact O-N 3.12Å; Y73-L77 VanDerWaalsContact O-CB 3.3Å; Y73-L77 WeakPolarHBondContact O-CB 3.34Å; Y73-L77 PolarHBondContact O-N 2.95Å; Y73-L299 HydrophobicContact CE2-CD2 4.42Å; Y73-L299 VanDerWaalsContact OH-CD2 3.31Å; Y73-L299 WeakPolarHBondContact OH-CD2 3.45Å; Y73-N359 VanDerWaalsContact CE1-ND2 3.3Å; Y73-N359 WeakPolarHBondContact CE1-ND2 3.11Å; Y73-N359 PolarHBondContact OH-ND2 3.26Å; Y73-N359 PolarHBondContact OH-OD1 3.43Å; Y73-L362 HydrophobicContact CE1-CG 4.46Å |
| 74 | F | 94.2 | Very high | 91.8 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 19% | 0.189 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | 170.8 | -68.2 | -55.4 | 0 | 0 | 0 | 112.1 | H69 K70 A71 L76 L77 D78 I152 | H69-F74 HydrophobicContact CB-CZ 4.08Å; K70-F74 PolarHBondContact O-N 3.48Å; A71-F74 PolarHBondContact O-N 3.29Å; F74-L76 VanDerWaalsContact C-N 3.35Å; F74-L77 PolarHBondContact O-N 3.46Å; F74-D78 PolarHBondContact O-N 3.04Å; F74-I152 HydrophobicContact CE2-CD1 4.39Å; F74-I152 HydrophobicContact CE2-CG1 4.3Å; F74-I152 HydrophobicContact CZ-CD1 4.05Å; F74-I152 HydrophobicContact CZ-CG1 4.41Å |
| 75 | F | 95.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.3 | -36.1 | 173.5 | -58.6 | -31 | 0 | 0 | 0 | 112.4 | A71 P72 L79 M128 V132 T135 M150 C155 I158 I159 | A71-F75 PolarHBondContact O-N 2.84Å; P72-F75 PolarHBondContact O-N 3.3Å; F75-L79 WeakPolarHBondContact O-CB 3.44Å; F75-L79 PolarHBondContact O-N 2.88Å; F75-M128 HydrophobicContact CB-CE 3.83Å; F75-M128 HydrophobicContact CD1-CE 3.79Å; F75-M128 HydrophobicContact CG-CE 4.06Å; F75-V132 HydrophobicContact CB-CG2 3.66Å; F75-V132 HydrophobicContact CD2-CG2 4.04Å; F75-V132 HydrophobicContact CG-CG2 4.2Å; F75-T135 HydrophobicContact CE2-CG2 3.89Å; F75-T135 WeakPolarHBondContact CE2-OG1 3.48Å; F75-M150 HydrophobicContact CE2-CE 4.08Å; F75-M150 HydrophobicContact CZ-CE 4.04Å; F75-C155 HydrophobicContact CE1-CB 4.04Å; F75-C155 HydrophobicContact CZ-CB 4.39Å; F75-I158 HydrophobicContact CE1-CB 4.12Å; F75-I158 HydrophobicContact CE1-CG2 3.91Å; F75-I158 HydrophobicContact CZ-CB 4.22Å; F75-I158 HydrophobicContact CZ-CD1 3.87Å; F75-I158 HydrophobicContact CZ-CG2 3.97Å; F75-I159 HydrophobicContact CD1-CD1 4.19Å; F75-I159 HydrophobicContact CD1-CG1 3.99Å; F75-I159 HydrophobicContact CE1-CD1 4.47Å; F75-I159 HydrophobicContact CE1-CG1 4.15Å |
| 76 | L | 93.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 172.6 | 179.3 | 60.9 | 0 | 0 | 0 | 111.8 | V58 P72 Y73 F74 L79 C80 F303 C355 L362 | V58-L76 HydrophobicContact CG1-CD2 4.23Å; V58-L76 HydrophobicContact CG1-CG 4.37Å; P72-L76 PolarHBondContact O-N 2.78Å; Y73-L76 HydrophobicContact CD1-CD2 4.23Å; Y73-L76 PolarHBondContact O-N 3.12Å; F74-L76 VanDerWaalsContact C-N 3.35Å; L76-L79 PolarHBondContact O-N 3.04Å; L76-C80 WeakPolarHBondContact O-CB 3.47Å; L76-C80 PolarHBondContact O-N 3.31Å; L76-C80 PolarHBondContact O-SG 3.14Å; L76-F303 HydrophobicContact CB-CE1 4.1Å; L76-F303 HydrophobicContact CB-CZ 4.14Å; L76-F303 HydrophobicContact CD1-CE1 4.44Å; L76-C355 VanDerWaalsContact CD1-SG 3.52Å; L76-L362 HydrophobicContact CD2-CD1 4.28Å |
| 77 | L | 95 | Very high | 92.9 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 11% | 0.105 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 177.2 | 174.4 | 65.5 | 0 | 0 | 0 | 111.2 | V62 L63 Y73 F74 C80 L81 | V62-L77 HydrophobicContact CG1-CB 4.24Å; L63-L77 HydrophobicContact CD1-CD1 4.31Å; L63-L77 HydrophobicContact CD2-CD1 4.44Å; L63-L77 HydrophobicContact CD2-CD2 3.67Å; L63-L77 HydrophobicContact CG-CD1 4.04Å; L63-L77 HydrophobicContact CG-CD2 4.17Å; Y73-L77 VanDerWaalsContact O-CB 3.3Å; Y73-L77 WeakPolarHBondContact O-CB 3.34Å; Y73-L77 PolarHBondContact O-N 2.95Å; F74-L77 PolarHBondContact O-N 3.46Å; L77-C80 PolarHBondContact O-N 3.27Å; L77-L81 HydrophobicContact CD1-CD1 4.04Å; L77-L81 HydrophobicContact CD1-CG 4.2Å; L77-L81 HydrophobicContact CG-CD1 4.04Å; L77-L81 WeakPolarHBondContact O-CB 3.37Å; L77-L81 WeakPolarHBondContact O-CG 3.38Å; L77-L81 PolarHBondContact O-N 3.02Å |
| 78 | D | 96.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 25.7 Ų | 25.7 | 10% | 0.102 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61 | -43.9 | 177 | 173.6 | 80.4 | 0 | 0 | 0 | 112.1 | F74 C80 L81 A82 H124 M128 I159 W163 | F74-D78 PolarHBondContact O-N 3.04Å; D78-C80 PolarHBondContact O-N 3.49Å; D78-L81 PolarHBondContact O-N 3.14Å; D78-A82 WeakPolarHBondContact O-CB 3.38Å; D78-A82 PolarHBondContact O-N 2.86Å; D78-H124 IonicContact OD1-NE2 2.74Å; D78-H124 IonicContact OD2-CE1 2.68Å; D78-H124 PolarHBondContact OD2-CE1 3.22Å; D78-H124 IonicContact OD2-NE2 3.87Å; D78-H124 PolarHBondContact OD2-NE2 3.02Å; D78-H124 VanDerWaalsContact OD2-NE2 3.14Å; D78-M128 HydrophobicContact CB-CE 4.36Å; D78-M128 WeakPolarHBondContact OD2-CE 3.32Å; D78-I159 HydrophobicContact CB-CD1 4.11Å; D78-I159 HydrophobicContact CB-CG1 4.35Å; D78-I159 HydrophobicContact CB-CG2 4.48Å; D78-I159 WeakPolarHBondContact OD1-CG2 3.33Å; D78-W163 PolarHBondContact OD1-NE1 3.12Å; D78-W163 VanDerWaalsContact OD1-NE1 3.11Å |
| 79 | L | 94.8 | Very high | 94 | Very high | 12 Ų | 12 | 27.3 Ų | 27.3 | 6% | 0.063 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 175 | -173.5 | 66.3 | 0 | 0 | 0 | 112.1 | F75 L76 A82 D83 A125 L129 | F75-L79 WeakPolarHBondContact O-CB 3.44Å; F75-L79 PolarHBondContact O-N 2.88Å; L76-L79 PolarHBondContact O-N 3.04Å; L79-A82 PolarHBondContact O-N 3.47Å; L79-D83 PolarHBondContact O-N 3.38Å; L79-A125 HydrophobicContact CD1-CB 4.15Å; L79-L129 HydrophobicContact CD2-CD2 4.15Å |
| 80 | C | 95.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 178 | -76.5 | 0 | 0 | 0 | 0 | 112.3 | N55 S59 L76 L77 D78 D83 A84 | N55-C80 HydrophobicContact CB-CB 4.1Å; N55-C80 WeakPolarHBondContact CB-O 3.42Å; N55-C80 PolarHBondContact OD1-SG 3.14Å; N55-C80 VanDerWaalsContact OD1-SG 3.35Å; S59-C80 WeakPolarHBondContact OG-CB 3.26Å; L76-C80 WeakPolarHBondContact O-CB 3.47Å; L76-C80 PolarHBondContact O-N 3.31Å; L76-C80 PolarHBondContact O-SG 3.14Å; L77-C80 PolarHBondContact O-N 3.27Å; D78-C80 PolarHBondContact O-N 3.49Å; C80-D83 PolarHBondContact O-N 2.98Å; C80-A84 WeakPolarHBondContact O-CB 3.34Å; C80-A84 PolarHBondContact O-N 2.91Å |
| 81 | L | 96.4 | Very high | 94.6 | Very high | 76 Ų | 76 | 19.1 Ų | 19.1 | 40% | 0.398 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -64 | -44.1 | 176.8 | -71.9 | 173.6 | 0 | 0 | 0 | 111.2 | L77 D78 D83 A84 V85 | L77-L81 HydrophobicContact CD1-CD1 4.04Å; L77-L81 HydrophobicContact CD1-CG 4.2Å; L77-L81 HydrophobicContact CG-CD1 4.04Å; L77-L81 WeakPolarHBondContact O-CB 3.37Å; L77-L81 WeakPolarHBondContact O-CG 3.38Å; L77-L81 PolarHBondContact O-N 3.02Å; D78-L81 PolarHBondContact O-N 3.14Å; L81-D83 PolarHBondContact O-N 3.44Å; L81-A84 PolarHBondContact O-N 2.94Å; L81-V85 VanDerWaalsContact O-CG2 3.3Å; L81-V85 WeakPolarHBondContact O-CG2 3.49Å; L81-V85 PolarHBondContact O-N 3.2Å |
| 82 | A | 96.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 21 Ų | 21 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | D78 L79 V85 R86 F121 W163 | D78-A82 WeakPolarHBondContact O-CB 3.38Å; D78-A82 PolarHBondContact O-N 2.86Å; L79-A82 PolarHBondContact O-N 3.47Å; A82-V85 PolarHBondContact O-N 3.29Å; A82-R86 WeakPolarHBondContact O-CB 3.46Å; A82-R86 PolarHBondContact O-N 3.4Å; A82-F121 HydrophobicContact CB-CD1 4.15Å; A82-F121 HydrophobicContact CB-CE1 4.38Å; A82-W163 HydrophobicContact CB-CZ2 4.38Å |
| 83 | D | 95.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 23.9 Ų | 23.9 | 3% | 0.032 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.1 | -37.6 | 176.3 | -88.2 | -33.2 | 0 | 0 | 0 | 113 | L79 C80 L81 R86 S87 N351 | L79-D83 PolarHBondContact O-N 3.38Å; C80-D83 PolarHBondContact O-N 2.98Å; L81-D83 PolarHBondContact O-N 3.44Å; D83-R86 PolarHBondContact O-N 2.72Å; D83-R86 IonicContact OD1-CZ 2.85Å; D83-R86 IonicContact OD1-NE 3.49Å; D83-R86 PolarHBondContact OD1-NE 3.38Å; D83-R86 IonicContact OD1-NH2 3Å; D83-R86 PolarHBondContact OD1-NH2 2.93Å; D83-S87 VanDerWaalsContact O-CB 3.31Å; D83-S87 WeakPolarHBondContact O-CB 3.35Å; D83-S87 PolarHBondContact O-N 3.21Å; D83-S87 PolarHBondContact O-OG 3.26Å; D83-N351 PolarHBondContact OD2-ND2 3.45Å |
| 84 | A | 96.1 | Very high | 95.1 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 6% | 0.058 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L52 N55 L56 C80 L81 S87 A88 | L52-A84 HydrophobicContact CD2-CB 4.48Å; L52-A84 WeakPolarHBondContact CD2-O 3.45Å; N55-A84 HydrophobicContact CB-CB 4.12Å; L56-A84 HydrophobicContact CD2-CB 4.27Å; L56-A84 HydrophobicContact CG-CB 4.47Å; C80-A84 WeakPolarHBondContact O-CB 3.34Å; C80-A84 PolarHBondContact O-N 2.91Å; L81-A84 PolarHBondContact O-N 2.94Å; A84-S87 PolarHBondContact O-N 3.22Å; A84-A88 WeakPolarHBondContact O-CB 3.42Å; A84-A88 PolarHBondContact O-N 3.4Å |
| 85 | V | 96.8 | Very high | 95.1 | Very high | 74 Ų | 74 | 24.2 Ų | 24.2 | 45% | 0.448 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 176.5 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | L81 A82 S87 A88 A89 F121 | L81-V85 VanDerWaalsContact O-CG2 3.3Å; L81-V85 WeakPolarHBondContact O-CG2 3.49Å; L81-V85 PolarHBondContact O-N 3.2Å; A82-V85 PolarHBondContact O-N 3.29Å; V85-S87 VanDerWaalsContact C-N 3.3Å; V85-S87 PolarHBondContact O-N 2.85Å; V85-A88 PolarHBondContact O-N 3.02Å; V85-A89 WeakPolarHBondContact O-CB 3.35Å; V85-A89 PolarHBondContact O-N 3.34Å; V85-F121 HydrophobicContact CB-CE1 4.26Å; V85-F121 HydrophobicContact CB-CZ 3.96Å; V85-F121 HydrophobicContact CG1-CE1 4.22Å; V85-F121 HydrophobicContact CG1-CE2 4.29Å; V85-F121 HydrophobicContact CG1-CZ 3.5Å; V85-F121 VanDerWaalsContact CG1-CZ 3.5Å |
| 86 | R | 95.6 | Very high | 95 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 8% | 0.075 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.5 | -44.4 | 175.2 | -177.5 | 176.7 | 59.4 | 101.1 | -5.4 | 111.9 | A82 D83 A88 A89 C90 F121 | A82-R86 WeakPolarHBondContact O-CB 3.46Å; A82-R86 PolarHBondContact O-N 3.4Å; D83-R86 PolarHBondContact O-N 2.72Å; D83-R86 IonicContact OD1-CZ 2.85Å; D83-R86 IonicContact OD1-NE 3.49Å; D83-R86 PolarHBondContact OD1-NE 3.38Å; D83-R86 IonicContact OD1-NH2 3Å; D83-R86 PolarHBondContact OD1-NH2 2.93Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 3.02Å; R86-A89 PolarHBondContact O-N 2.9Å; R86-C90 HydrophobicContact CG-CB 4.41Å; R86-C90 VanDerWaalsContact O-CB 3.28Å; R86-C90 WeakPolarHBondContact O-CB 3.37Å; R86-C90 PolarHBondContact O-N 3.26Å; R86-F121 HydrophobicContact CB-CB 4.14Å; R86-F121 HydrophobicContact CB-CD1 4.35Å; R86-F121 HydrophobicContact CB-CD2 3.56Å; R86-F121 HydrophobicContact CB-CE2 4Å; R86-F121 HydrophobicContact CB-CG 3.79Å; R86-F121 HydrophobicContact CG-CB 4.1Å; R86-F121 HydrophobicContact CG-CD2 3.79Å; R86-F121 HydrophobicContact CG-CG 4.14Å |
| 87 | S | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.1 | -33 | -178.8 | -55 | 0 | 0 | 0 | 0 | 112.4 | S51 D83 A84 V85 P92 | S51-S87 WeakPolarHBondContact CB-OG 3.39Å; S51-S87 PolarHBondContact OG-OG 3.16Å; D83-S87 VanDerWaalsContact O-CB 3.31Å; D83-S87 WeakPolarHBondContact O-CB 3.35Å; D83-S87 PolarHBondContact O-N 3.21Å; D83-S87 PolarHBondContact O-OG 3.26Å; A84-S87 PolarHBondContact O-N 3.22Å; V85-S87 VanDerWaalsContact C-N 3.3Å; V85-S87 PolarHBondContact O-N 2.85Å; S87-P92 WeakPolarHBondContact O-CD 3.41Å |
| 88 | A | 95.8 | Very high | 94.6 | Very high | 56 Ų | 56 | 25 Ų | 25 | 46% | 0.463 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -78 | -36.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L52 A84 V85 R86 P92 | L52-A88 HydrophobicContact CD2-CB 3.98Å; A84-A88 WeakPolarHBondContact O-CB 3.42Å; A84-A88 PolarHBondContact O-N 3.4Å; V85-A88 PolarHBondContact O-N 3.02Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 3.02Å; A88-P92 WeakPolarHBondContact O-CD 3.27Å; A88-P92 VanDerWaalsContact O-CG 3.28Å; A88-P92 WeakPolarHBondContact O-CG 3.44Å |
| 89 | A | 94 | Very high | 94.4 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 31% | 0.306 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -98.3 | -25.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V85 R86 F93 | V85-A89 WeakPolarHBondContact O-CB 3.35Å; V85-A89 PolarHBondContact O-N 3.34Å; R86-A89 PolarHBondContact O-N 2.9Å; A89-F93 WeakPolarHBondContact O-CD2 3.39Å; A89-F93 WeakPolarHBondContact O-CE2 3.34Å |
| 90 | C | 94.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -48.1 | -175.5 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | R86 F93 V94 | R86-C90 HydrophobicContact CG-CB 4.41Å; R86-C90 VanDerWaalsContact O-CB 3.28Å; R86-C90 WeakPolarHBondContact O-CB 3.37Å; R86-C90 PolarHBondContact O-N 3.26Å; C90-F93 WeakPolarHBondContact O-CB 3.26Å; C90-F93 PolarHBondContact O-N 3.03Å; C90-V94 PolarHBondContact O-N 2.92Å |
| 91 | F | 94.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -33.4 | -173.1 | -64.2 | -16.7 | 0 | 0 | 0 | 115.5 | L44 I47 I48 F93 V94 L95 F345 A348 | L44-F91 HydrophobicContact CD1-CB 4.43Å; L44-F91 HydrophobicContact CD1-CG 4.42Å; I47-F91 HydrophobicContact CG2-CD2 4.27Å; I47-F91 HydrophobicContact CG2-CE2 3.73Å; I47-F91 HydrophobicContact CG2-CZ 4.47Å; I48-F91 HydrophobicContact CD1-CB 3.75Å; I48-F91 HydrophobicContact CG1-CB 3.56Å; I48-F91 HydrophobicContact CG1-CD2 3.85Å; I48-F91 HydrophobicContact CG1-CG 4.21Å; F91-F93 VanDerWaalsContact C-N 3.25Å; F91-F93 PolarHBondContact O-N 3.12Å; F91-V94 PolarHBondContact O-N 3.34Å; F91-L95 WeakPolarHBondContact O-CB 3.47Å; F91-L95 PolarHBondContact O-N 3.15Å; F91-F345 HydrophobicContact CD1-CD1 4.47Å; F91-F345 HydrophobicContact CE1-CB 4.26Å; F91-F345 AromaticContact CE1-CD1 3.62Å; F91-F345 HydrophobicContact CE1-CD1 3.62Å; F91-F345 HydrophobicContact CE1-CE1 4.15Å; F91-F345 HydrophobicContact CE1-CG 4.02Å; F91-F345 HydrophobicContact CZ-CB 4.06Å; F91-F345 HydrophobicContact CZ-CD1 4.18Å; F91-F345 HydrophobicContact CZ-CG 4.32Å; F91-A348 HydrophobicContact CE2-CB 3.66Å; F91-A348 HydrophobicContact CZ-CB 3.91Å |
| 92 | P | 94.9 | Very high | 93.1 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 32% | 0.318 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.1 | -33.8 | 175.3 | -27.9 | 38.8 | 0 | 0 | 0 | 112.9 | S87 A88 L95 V96 | S87-P92 WeakPolarHBondContact O-CD 3.41Å; A88-P92 WeakPolarHBondContact O-CD 3.27Å; A88-P92 VanDerWaalsContact O-CG 3.28Å; A88-P92 WeakPolarHBondContact O-CG 3.44Å; P92-L95 WeakPolarHBondContact O-CB 3.47Å; P92-L95 PolarHBondContact O-N 3Å; P92-V96 WeakPolarHBondContact O-CG2 3.48Å; P92-V96 PolarHBondContact O-N 3.36Å |
| 93 | F | 93.6 | Very high | 92.7 | Very high | 62 Ų | 62 | 38.8 Ų | 38.8 | 27% | 0.272 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.7 | -40.3 | 175.7 | -68.8 | -86.2 | 0 | 0 | 0 | 111.9 | A89 C90 F91 L95 V96 S97 W104 Y106 V114 | A89-F93 WeakPolarHBondContact O-CD2 3.39Å; A89-F93 WeakPolarHBondContact O-CE2 3.34Å; C90-F93 WeakPolarHBondContact O-CB 3.26Å; C90-F93 PolarHBondContact O-N 3.03Å; F91-F93 VanDerWaalsContact C-N 3.25Å; F91-F93 PolarHBondContact O-N 3.12Å; F93-L95 VanDerWaalsContact C-N 3.33Å; F93-V96 PolarHBondContact O-N 2.83Å; F93-S97 PolarHBondContact O-N 2.99Å; F93-W104 HydrophobicContact CB-CH2 3.76Å; F93-W104 HydrophobicContact CB-CZ3 4.05Å; F93-W104 AromaticContact CD1-CH2 3.99Å; F93-W104 HydrophobicContact CD1-CH2 3.99Å; F93-W104 HydrophobicContact CD1-CZ2 4.4Å; F93-W104 HydrophobicContact CG-CH2 4.2Å; F93-Y106 AromaticContact CD1-CD2 3.93Å; F93-Y106 HydrophobicContact CD1-CD2 3.93Å; F93-Y106 AromaticContact CD1-CE2 3.7Å; F93-Y106 HydrophobicContact CD1-CE2 3.7Å; F93-Y106 HydrophobicContact CE1-CD2 4.41Å; F93-Y106 HydrophobicContact CE1-CE2 4.22Å; F93-V114 HydrophobicContact CB-CG1 4.3Å; F93-V114 HydrophobicContact CB-CG2 4.19Å; F93-V114 HydrophobicContact CD1-CG2 4.1Å; F93-V114 HydrophobicContact CD2-CG2 3.71Å; F93-V114 HydrophobicContact CE1-CG2 4.43Å; F93-V114 HydrophobicContact CE2-CG2 4.06Å; F93-V114 HydrophobicContact CG-CG2 3.73Å; F93-V114 HydrophobicContact CZ-CG2 4.4Å |
| 94 | V | 92.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 173.2 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | L44 C90 F91 V96 S97 V98 Q188 F345 | L44-V94 HydrophobicContact CD2-CB 4.06Å; L44-V94 HydrophobicContact CD2-CG1 3.84Å; C90-V94 PolarHBondContact O-N 2.92Å; F91-V94 PolarHBondContact O-N 3.34Å; V94-V96 PolarHBondContact O-N 3.36Å; V94-S97 WeakPolarHBondContact O-CB 3.45Å; V94-S97 PolarHBondContact O-N 2.87Å; V94-S97 VanDerWaalsContact O-N 3.1Å; V94-V98 WeakPolarHBondContact O-CG2 3.41Å; V94-V98 PolarHBondContact O-N 3.38Å; V94-Q188 HydrophobicContact CG2-CB 4.03Å; V94-F345 HydrophobicContact CG1-CE2 3.9Å; V94-F345 HydrophobicContact CG1-CZ 4.2Å; V94-F345 HydrophobicContact CG2-CZ 4.38Å |
| 95 | L | 92.8 | Very high | 92 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 27% | 0.272 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 177.6 | -173 | 131 | 0 | 0 | 0 | 112.2 | L41 L44 I48 F91 P92 F93 S97 V98 H99 | L41-L95 HydrophobicContact CD2-CG 4Å; L41-L95 WeakPolarHBondContact CD2-O 3.24Å; L44-L95 HydrophobicContact CB-CD1 4.24Å; L44-L95 HydrophobicContact CD2-CB 3.73Å; L44-L95 HydrophobicContact CD2-CD1 4.35Å; L44-L95 HydrophobicContact CD2-CG 4.47Å; L44-L95 HydrophobicContact CG-CB 4.49Å; L44-L95 HydrophobicContact CG-CD1 4.35Å; I48-L95 HydrophobicContact CD1-CD1 4.07Å; F91-L95 WeakPolarHBondContact O-CB 3.47Å; F91-L95 PolarHBondContact O-N 3.15Å; P92-L95 WeakPolarHBondContact O-CB 3.47Å; P92-L95 PolarHBondContact O-N 3Å; F93-L95 VanDerWaalsContact C-N 3.33Å; L95-S97 VanDerWaalsContact C-N 3.32Å; L95-V98 PolarHBondContact O-N 2.81Å; L95-H99 WeakPolarHBondContact O-CB 3.39Å; L95-H99 PolarHBondContact O-N 3.38Å |
| 96 | V | 92.8 | Very high | 91.7 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 174.4 | 172 | 0 | 0 | 0 | 0 | 111.4 | P92 F93 V94 H99 N100 P105 Y106 | P92-V96 WeakPolarHBondContact O-CG2 3.48Å; P92-V96 PolarHBondContact O-N 3.36Å; F93-V96 PolarHBondContact O-N 2.83Å; V94-V96 PolarHBondContact O-N 3.36Å; V96-H99 PolarHBondContact O-N 2.93Å; V96-N100 WeakPolarHBondContact CG1-ND2 3.39Å; V96-N100 PolarHBondContact O-N 3.45Å; V96-N100 VanDerWaalsContact O-N 3.1Å; V96-N100 PolarHBondContact O-ND2 3.09Å; V96-P105 HydrophobicContact CG1-CG 3.82Å; V96-Y106 HydrophobicContact CB-CE2 4.15Å; V96-Y106 HydrophobicContact CG1-CE2 3.72Å |
| 97 | S | 91.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 177.4 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | F93 V94 L95 H99 N100 S102 D103 F182 | F93-S97 PolarHBondContact O-N 2.99Å; V94-S97 WeakPolarHBondContact O-CB 3.45Å; V94-S97 PolarHBondContact O-N 2.87Å; V94-S97 VanDerWaalsContact O-N 3.1Å; L95-S97 VanDerWaalsContact C-N 3.32Å; S97-H99 VanDerWaalsContact C-N 3.32Å; S97-H99 PolarHBondContact O-N 3.2Å; S97-N100 PolarHBondContact O-N 3.47Å; S97-S102 WeakPolarHBondContact O-CA 3.29Å; S97-S102 PolarHBondContact O-N 3.13Å; S97-D103 WeakPolarHBondContact CA-O 3.42Å; S97-D103 PolarHBondContact O-N 2.95Å; S97-D103 PolarHBondContact OG-O 3.49Å; S97-F182 WeakPolarHBondContact OG-CE2 3.49Å; S97-F182 WeakPolarHBondContact OG-CZ 3.47Å |
| 98 | V | 90.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 174.6 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | K40 L41 V94 L95 N100 S101 D187 W342 | K40-V98 HydrophobicContact CB-CG1 3.71Å; K40-V98 HydrophobicContact CD-CG1 4.22Å; L41-V98 HydrophobicContact CD2-CB 3.98Å; L41-V98 HydrophobicContact CD2-CG1 3.82Å; L41-V98 HydrophobicContact CG-CG1 3.86Å; V94-V98 WeakPolarHBondContact O-CG2 3.41Å; V94-V98 PolarHBondContact O-N 3.38Å; L95-V98 PolarHBondContact O-N 2.81Å; V98-N100 VanDerWaalsContact C-N 3.3Å; V98-N100 PolarHBondContact O-N 3.3Å; V98-S101 PolarHBondContact O-N 3.1Å; V98-D187 HydrophobicContact CG2-CB 3.69Å; V98-W342 HydrophobicContact CG2-CZ2 4.16Å |
| 99 | H | 90.9 | Very high | 90.7 | Very high | 128 Ų | 128 | 59 Ų | 59 | 59% | 0.593 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61 | -38.9 | 178.6 | 178.1 | -87 | 0 | 0 | 0 | 112.3 | L41 L95 V96 S97 S101 | L41-H99 HydrophobicContact CD1-CB 4.49Å; L41-H99 HydrophobicContact CD2-CB 4.07Å; L95-H99 WeakPolarHBondContact O-CB 3.39Å; L95-H99 PolarHBondContact O-N 3.38Å; V96-H99 PolarHBondContact O-N 2.93Å; S97-H99 VanDerWaalsContact C-N 3.32Å; S97-H99 PolarHBondContact O-N 3.2Å; H99-S101 PolarHBondContact O-N 2.94Å; H99-S101 VanDerWaalsContact O-N 3.16Å |
| 100 | N | 89.7 | Confident | 90.5 | Very high | 64 Ų | 64 | 58.4 Ų | 58.4 | 34% | 0.342 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 32.7 | -179.8 | -64.9 | -56.1 | 0 | 0 | 0 | 112.9 | V96 S97 V98 S102 D103 | V96-N100 WeakPolarHBondContact CG1-ND2 3.39Å; V96-N100 PolarHBondContact O-N 3.45Å; V96-N100 VanDerWaalsContact O-N 3.1Å; V96-N100 PolarHBondContact O-ND2 3.09Å; S97-N100 PolarHBondContact O-N 3.47Å; V98-N100 VanDerWaalsContact C-N 3.3Å; V98-N100 PolarHBondContact O-N 3.3Å; N100-S102 PolarHBondContact O-N 2.94Å; N100-D103 VanDerWaalsContact O-CB 3.32Å; N100-D103 WeakPolarHBondContact O-CB 3.39Å; N100-D103 PolarHBondContact O-N 3.4Å |
| 101 | S | 86.4 | Confident | 90.4 | Very high | 101 Ų | 101 | 58.6 Ų | 58.6 | 71% | 0.706 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 43.7 | 178.8 | -56.3 | 0 | 0 | 0 | 0 | 113.9 | V98 H99 D103 | V98-S101 PolarHBondContact O-N 3.1Å; H99-S101 PolarHBondContact O-N 2.94Å; H99-S101 VanDerWaalsContact O-N 3.16Å; S101-D103 VanDerWaalsContact C-N 3.32Å |
| 102 | S | 85 | Confident | 90.1 | Very high | 35 Ų | 35 | 62.3 Ų | 62.3 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 63.2 | 40.2 | 179.8 | -28.5 | 0 | 0 | 0 | 0 | 111.8 | S97 N100 F182 D187 | S97-S102 WeakPolarHBondContact O-CA 3.29Å; S97-S102 PolarHBondContact O-N 3.13Å; N100-S102 PolarHBondContact O-N 2.94Å; S102-F182 WeakPolarHBondContact O-CE1 3.37Å; S102-F182 WeakPolarHBondContact O-CZ 3.42Å; S102-D187 WeakPolarHBondContact CB-OD1 3.45Å; S102-D187 PolarHBondContact OG-OD1 3.32Å |
| 103 | D | 87.2 | Confident | 89.9 | Confident | 74 Ų | 74 | 63.6 Ų | 63.6 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | trans | -116.9 | 153.8 | 175.4 | -151.3 | 32.3 | 0 | 0 | 0 | 110.5 | S97 N100 S101 P105 R184 | S97-D103 WeakPolarHBondContact CA-O 3.42Å; S97-D103 PolarHBondContact O-N 2.95Å; S97-D103 PolarHBondContact OG-O 3.49Å; N100-D103 VanDerWaalsContact O-CB 3.32Å; N100-D103 WeakPolarHBondContact O-CB 3.39Å; N100-D103 PolarHBondContact O-N 3.4Å; S101-D103 VanDerWaalsContact C-N 3.32Å; D103-P105 VanDerWaalsContact O-CD 3.25Å; D103-P105 WeakPolarHBondContact O-CD 3.39Å; D103-R184 IonicContact OD1-CZ 3.9Å; D103-R184 IonicContact OD1-NE 3.5Å; D103-R184 IonicContact OD1-NH2 3.14Å; D103-R184 PolarHBondContact OD1-NH2 3.49Å | ||
| 104 | W | 89.3 | Confident | 89.9 | Confident | 30 Ų | 30 | 61.1 Ų | 61.1 | 11% | 0.114 | 33% | 0.327 | C | S | . | . | trans | -104.7 | 98.1 | -179.6 | -173.6 | -95.1 | 0 | 0 | 0 | 110.1 | F93 Y106 S107 S110 C111 V114 F182 C189 | F93-W104 HydrophobicContact CB-CH2 3.76Å; F93-W104 HydrophobicContact CB-CZ3 4.05Å; F93-W104 AromaticContact CD1-CH2 3.99Å; F93-W104 HydrophobicContact CD1-CH2 3.99Å; F93-W104 HydrophobicContact CD1-CZ2 4.4Å; F93-W104 HydrophobicContact CG-CH2 4.2Å; W104-Y106 VanDerWaalsContact C-N 3.26Å; W104-Y106 HydrophobicContact CH2-CD2 4.38Å; W104-Y106 HydrophobicContact CZ2-CD2 4.04Å; W104-Y106 PolarHBondContact NE1-O 2.83Å; W104-Y106 PolarHBondContact O-N 3.27Å; W104-S107 PolarHBondContact NE1-O 3.36Å; W104-S110 PolarHBondContact NE1-OG 3.14Å; W104-C111 HydrophobicContact CD2-CB 4.34Å; W104-C111 HydrophobicContact CZ2-CB 3.97Å; W104-V114 HydrophobicContact CH2-CB 4.29Å; W104-V114 HydrophobicContact CH2-CG1 4.45Å; W104-V114 HydrophobicContact CH2-CG2 4.16Å; W104-F182 HydrophobicContact CB-CB 4.3Å; W104-F182 HydrophobicContact CB-CD1 3.99Å; W104-F182 HydrophobicContact CB-CD2 3.99Å; W104-F182 HydrophobicContact CB-CE1 4.31Å; W104-F182 HydrophobicContact CB-CE2 4.34Å; W104-F182 HydrophobicContact CB-CG 3.82Å; W104-F182 HydrophobicContact CB-CZ 4.49Å; W104-F182 HydrophobicContact CD2-CD2 4.42Å; W104-F182 AromaticContact CE3-CD2 3.98Å; W104-F182 HydrophobicContact CE3-CD2 3.98Å; W104-F182 HydrophobicContact CE3-CE2 4.21Å; W104-F182 HydrophobicContact CG-CD2 4.46Å; W104-F182 HydrophobicContact CG-CG 4.5Å; W104-C189 VanDerWaalsContact CE3-SG 3.58Å | ||
| 105 | P | 88.9 | Confident | 89.8 | Confident | 75 Ų | 75 | 61 Ų | 61 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | trans | -78 | -11.3 | -174.4 | 33.2 | -38.6 | 0 | 0 | 0 | 113.2 | V96 D103 | V96-P105 HydrophobicContact CG1-CG 3.82Å; D103-P105 VanDerWaalsContact O-CD 3.25Å; D103-P105 WeakPolarHBondContact O-CD 3.39Å | ||
| 106 | Y | 90.6 | Very high | 89.8 | Confident | 103 Ų | 103 | 60.4 Ų | 60.4 | 40% | 0.404 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -90.3 | 176.7 | -177.2 | -56.8 | -77.8 | 0 | 0 | 0 | 112.3 | F93 V96 W104 S110 | F93-Y106 AromaticContact CD1-CD2 3.93Å; F93-Y106 HydrophobicContact CD1-CD2 3.93Å; F93-Y106 AromaticContact CD1-CE2 3.7Å; F93-Y106 HydrophobicContact CD1-CE2 3.7Å; F93-Y106 HydrophobicContact CE1-CD2 4.41Å; F93-Y106 HydrophobicContact CE1-CE2 4.22Å; V96-Y106 HydrophobicContact CB-CE2 4.15Å; V96-Y106 HydrophobicContact CG1-CE2 3.72Å; W104-Y106 VanDerWaalsContact C-N 3.26Å; W104-Y106 HydrophobicContact CH2-CD2 4.38Å; W104-Y106 HydrophobicContact CZ2-CD2 4.04Å; W104-Y106 PolarHBondContact NE1-O 2.83Å; W104-Y106 PolarHBondContact O-N 3.27Å; Y106-S110 WeakPolarHBondContact CB-OG 3.31Å |
| 107 | S | 90.4 | Very high | 89.8 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 49% | 0.49 | 32% | 0.323 | S | S | . | . | trans | -66.1 | 155.9 | 179.3 | 72.2 | 0 | 0 | 0 | 0 | 112.6 | W104 L109 S110 C111 | W104-S107 PolarHBondContact NE1-O 3.36Å; S107-L109 PolarHBondContact O-N 3.47Å; S107-S110 PolarHBondContact N-OG 3.46Å; S107-S110 PolarHBondContact O-N 3.38Å; S107-S110 VanDerWaalsContact O-N 3.12Å; S107-S110 PolarHBondContact O-OG 2.9Å; S107-S110 PolarHBondContact OG-N 2.89Å; S107-C111 PolarHBondContact O-N 3.03Å | ||
| 108 | K | 86.8 | Confident | 89.8 | Confident | 183 Ų | 183 | 62.1 Ų | 62.1 | 80% | 0.796 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -56.8 | -32.3 | 172.2 | -65.2 | -176.6 | 179.7 | -177.2 | 0 | 112.6 | C111 K112 | K108-C111 PolarHBondContact O-N 3.29Å; K108-K112 WeakPolarHBondContact O-CG 3.22Å; K108-K112 PolarHBondContact O-N 2.87Å |
| 109 | L | 88.4 | Confident | 89.8 | Confident | 125 Ų | 125 | 63.1 Ų | 63.1 | 65% | 0.654 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65 | -45.6 | 176.8 | 179.8 | 62.4 | 0 | 0 | 0 | 111.5 | S107 C111 K112 V113 | S107-L109 PolarHBondContact O-N 3.47Å; L109-C111 VanDerWaalsContact C-N 3.28Å; L109-C111 PolarHBondContact O-N 2.92Å; L109-K112 PolarHBondContact O-N 3.3Å; L109-V113 HydrophobicContact CD1-CG2 4.47Å; L109-V113 WeakPolarHBondContact O-CG2 3.42Å; L109-V113 PolarHBondContact O-N 2.95Å |
| 110 | S | 90.4 | Very high | 90 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 178.3 | 66 | 0 | 0 | 0 | 0 | 112.4 | W104 Y106 S107 K112 V113 V114 | W104-S110 PolarHBondContact NE1-OG 3.14Å; Y106-S110 WeakPolarHBondContact CB-OG 3.31Å; S107-S110 PolarHBondContact N-OG 3.46Å; S107-S110 PolarHBondContact O-N 3.38Å; S107-S110 VanDerWaalsContact O-N 3.12Å; S107-S110 PolarHBondContact O-OG 2.9Å; S107-S110 PolarHBondContact OG-N 2.89Å; S110-K112 PolarHBondContact O-N 3.14Å; S110-V113 PolarHBondContact O-N 2.84Å; S110-V114 WeakPolarHBondContact O-CG2 3.42Å; S110-V114 PolarHBondContact O-N 3.41Å |
| 111 | C | 90.4 | Very high | 90.3 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 174.7 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | W104 S107 K108 L109 V113 V114 A115 C189 | W104-C111 HydrophobicContact CD2-CB 4.34Å; W104-C111 HydrophobicContact CZ2-CB 3.97Å; S107-C111 PolarHBondContact O-N 3.03Å; K108-C111 PolarHBondContact O-N 3.29Å; L109-C111 VanDerWaalsContact C-N 3.28Å; L109-C111 PolarHBondContact O-N 2.92Å; C111-V113 VanDerWaalsContact C-N 3.35Å; C111-V113 PolarHBondContact O-N 3.2Å; C111-V114 PolarHBondContact O-N 3.09Å; C111-A115 WeakPolarHBondContact O-CB 3.27Å; C111-A115 PolarHBondContact O-N 3.42Å; C111-C189 WeakPolarHBondContact CA-SG 3.35Å; C111-C189 HydrophobicContact CB-CB 4.04Å; C111-C189 WeakPolarHBondContact CB-SG 3.21Å; C111-C189 VanDerWaalsContact O-CB 3.27Å; C111-C189 WeakPolarHBondContact O-CB 3.45Å; C111-C189 WeakPolarHBondContact SG-CB 3.41Å; C111-C189 CovalentContact SG-SG 2.03Å; C111-C189 PolarHBondContact SG-SG 3.4Å |
| 112 | K | 89.1 | Confident | 90.6 | Very high | 81 Ų | 81 | 50.6 Ų | 50.6 | 35% | 0.352 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 176.8 | -67.8 | -177.1 | 177.8 | -173.1 | 0 | 112.5 | K108 L109 S110 F116 | K108-K112 WeakPolarHBondContact O-CG 3.22Å; K108-K112 PolarHBondContact O-N 2.87Å; L109-K112 PolarHBondContact O-N 3.3Å; S110-K112 PolarHBondContact O-N 3.14Å; K112-F116 WeakPolarHBondContact O-CB 3.27Å; K112-F116 PolarHBondContact O-N 3.39Å |
| 113 | V | 91.2 | Very high | 90.9 | Very high | 77 Ų | 77 | 49.5 Ų | 49.5 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 178.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | L109 S110 C111 A115 F116 M117 | L109-V113 HydrophobicContact CD1-CG2 4.47Å; L109-V113 WeakPolarHBondContact O-CG2 3.42Å; L109-V113 PolarHBondContact O-N 2.95Å; S110-V113 PolarHBondContact O-N 2.84Å; C111-V113 VanDerWaalsContact C-N 3.35Å; C111-V113 PolarHBondContact O-N 3.2Å; V113-A115 PolarHBondContact O-N 2.96Å; V113-F116 PolarHBondContact O-N 3.42Å; V113-M117 HydrophobicContact CG1-CG 4.4Å; V113-M117 VanDerWaalsContact O-CG 3.27Å; V113-M117 WeakPolarHBondContact O-CG 3.11Å; V113-M117 PolarHBondContact O-N 3.45Å |
| 114 | V | 92.7 | Very high | 91.4 | Very high | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -40.1 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | F93 W104 S110 C111 M117 S118 | F93-V114 HydrophobicContact CB-CG1 4.3Å; F93-V114 HydrophobicContact CB-CG2 4.19Å; F93-V114 HydrophobicContact CD1-CG2 4.1Å; F93-V114 HydrophobicContact CD2-CG2 3.71Å; F93-V114 HydrophobicContact CE1-CG2 4.43Å; F93-V114 HydrophobicContact CE2-CG2 4.06Å; F93-V114 HydrophobicContact CG-CG2 3.73Å; F93-V114 HydrophobicContact CZ-CG2 4.4Å; W104-V114 HydrophobicContact CH2-CB 4.29Å; W104-V114 HydrophobicContact CH2-CG1 4.45Å; W104-V114 HydrophobicContact CH2-CG2 4.16Å; S110-V114 WeakPolarHBondContact O-CG2 3.42Å; S110-V114 PolarHBondContact O-N 3.41Å; C111-V114 PolarHBondContact O-N 3.09Å; V114-M117 PolarHBondContact O-N 3.37Å; V114-S118 WeakPolarHBondContact O-CB 3.29Å; V114-S118 PolarHBondContact O-N 2.95Å; V114-S118 PolarHBondContact O-OG 3Å |
| 115 | A | 90.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -48.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C111 V113 M117 S118 V119 Y180 C189 | C111-A115 WeakPolarHBondContact O-CB 3.27Å; C111-A115 PolarHBondContact O-N 3.42Å; V113-A115 PolarHBondContact O-N 2.96Å; A115-M117 PolarHBondContact O-N 3.29Å; A115-S118 PolarHBondContact O-N 2.69Å; A115-V119 WeakPolarHBondContact O-CG2 3.5Å; A115-V119 PolarHBondContact O-N 3.05Å; A115-Y180 HydrophobicContact CB-CD1 3.45Å; A115-Y180 VanDerWaalsContact CB-CD1 3.45Å; A115-Y180 HydrophobicContact CB-CD2 4.45Å; A115-Y180 HydrophobicContact CB-CE1 4.03Å; A115-Y180 HydrophobicContact CB-CG 3.7Å; A115-C189 WeakPolarHBondContact CA-O 3.43Å; A115-C189 HydrophobicContact CB-CB 4.08Å; A115-C189 WeakPolarHBondContact CB-O 3.41Å |
| 116 | F | 92.2 | Very high | 91.9 | Very high | 39 Ų | 39 | 41.5 Ų | 41.5 | 17% | 0.171 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.3 | -48.5 | 175.8 | 169.8 | -95.5 | 0 | 0 | 0 | 112 | K112 V113 S118 V119 L120 A170 F171 V174 Y180 | K112-F116 WeakPolarHBondContact O-CB 3.27Å; K112-F116 PolarHBondContact O-N 3.39Å; V113-F116 PolarHBondContact O-N 3.42Å; F116-S118 VanDerWaalsContact C-N 3.34Å; F116-S118 PolarHBondContact O-N 2.89Å; F116-V119 PolarHBondContact O-N 3.06Å; F116-L120 HydrophobicContact CE1-CD2 4.02Å; F116-L120 HydrophobicContact CZ-CD2 4.34Å; F116-L120 VanDerWaalsContact O-CB 3.24Å; F116-L120 WeakPolarHBondContact O-CB 3.39Å; F116-L120 PolarHBondContact O-N 2.99Å; F116-A170 HydrophobicContact CD2-CB 3.85Å; F116-A170 WeakPolarHBondContact CD2-O 3.19Å; F116-A170 HydrophobicContact CE2-CB 3.56Å; F116-A170 HydrophobicContact CZ-CB 4.3Å; F116-F171 HydrophobicContact CE2-CB 4.5Å; F116-F171 HydrophobicContact CE2-CD2 4.28Å; F116-V174 HydrophobicContact CD2-CG2 3.65Å; F116-V174 HydrophobicContact CE2-CG2 4.29Å; F116-V174 HydrophobicContact CG-CG2 4.37Å; F116-Y180 HydrophobicContact CB-CE2 4.19Å |
| 117 | M | 93.7 | Very high | 92.1 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 26% | 0.261 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.1 | -42 | 179.3 | -68.7 | -62.6 | -70.6 | 0 | 0 | 111.5 | V113 V114 A115 V119 L120 F121 | V113-M117 HydrophobicContact CG1-CG 4.4Å; V113-M117 VanDerWaalsContact O-CG 3.27Å; V113-M117 WeakPolarHBondContact O-CG 3.11Å; V113-M117 PolarHBondContact O-N 3.45Å; V114-M117 PolarHBondContact O-N 3.37Å; A115-M117 PolarHBondContact O-N 3.29Å; M117-V119 PolarHBondContact O-N 3.15Å; M117-L120 WeakPolarHBondContact O-CB 3.46Å; M117-L120 PolarHBondContact O-N 3.18Å; M117-L120 HydrophobicContact SD-CD2 4.22Å; M117-F121 HydrophobicContact CB-CD2 4.48Å; M117-F121 HydrophobicContact CB-CE2 4.26Å; M117-F121 HydrophobicContact CE-CE2 3.55Å; M117-F121 HydrophobicContact CE-CZ 3.68Å; M117-F121 WeakPolarHBondContact O-CD2 3.3Å; M117-F121 PolarHBondContact O-N 3.44Å |
| 118 | S | 92.1 | Very high | 92.4 | Very high | 22 Ų | 22 | 34.3 Ų | 34.3 | 15% | 0.154 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | V114 A115 F116 C122 | V114-S118 WeakPolarHBondContact O-CB 3.29Å; V114-S118 PolarHBondContact O-N 2.95Å; V114-S118 PolarHBondContact O-OG 3Å; A115-S118 PolarHBondContact O-N 2.69Å; F116-S118 VanDerWaalsContact C-N 3.34Å; F116-S118 PolarHBondContact O-N 2.89Å; S118-C122 WeakPolarHBondContact O-CB 3.01Å; S118-C122 PolarHBondContact O-N 3.48Å; S118-C122 VanDerWaalsContact O-N 3.12Å |
| 119 | V | 90.8 | Very high | 92.7 | Very high | 23 Ų | 23 | 25.9 Ų | 25.9 | 14% | 0.139 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | A115 F116 M117 F121 C122 F123 A170 Y180 | A115-V119 WeakPolarHBondContact O-CG2 3.5Å; A115-V119 PolarHBondContact O-N 3.05Å; F116-V119 PolarHBondContact O-N 3.06Å; M117-V119 PolarHBondContact O-N 3.15Å; V119-F121 PolarHBondContact O-N 3.49Å; V119-C122 WeakPolarHBondContact O-CB 3.36Å; V119-C122 PolarHBondContact O-N 3.43Å; V119-F123 HydrophobicContact CG1-CD2 3.59Å; V119-F123 HydrophobicContact CG1-CE2 3.57Å; V119-F123 WeakPolarHBondContact O-CD2 3.27Å; V119-F123 PolarHBondContact O-N 2.88Å; V119-A170 HydrophobicContact CG1-CB 4.11Å; V119-Y180 HydrophobicContact CG2-CE1 4.02Å |
| 120 | L | 94.3 | Very high | 93 | Very high | 10 Ų | 10 | 22.8 Ų | 22.8 | 5% | 0.052 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.4 | -52.5 | 176.2 | 173.1 | 65.3 | 0 | 0 | 0 | 111.4 | F116 M117 C122 F123 H124 W163 A166 V167 A170 | F116-L120 HydrophobicContact CE1-CD2 4.02Å; F116-L120 HydrophobicContact CZ-CD2 4.34Å; F116-L120 VanDerWaalsContact O-CB 3.24Å; F116-L120 WeakPolarHBondContact O-CB 3.39Å; F116-L120 PolarHBondContact O-N 2.99Å; M117-L120 WeakPolarHBondContact O-CB 3.46Å; M117-L120 PolarHBondContact O-N 3.18Å; M117-L120 HydrophobicContact SD-CD2 4.22Å; L120-C122 VanDerWaalsContact C-N 3.31Å; L120-C122 PolarHBondContact O-N 3.14Å; L120-F123 PolarHBondContact O-N 3.43Å; L120-H124 VanDerWaalsContact O-CB 3.26Å; L120-H124 WeakPolarHBondContact O-CB 3.18Å; L120-H124 PolarHBondContact O-N 3.4Å; L120-W163 HydrophobicContact CD2-CZ3 4.28Å; L120-W163 HydrophobicContact CG-CZ3 4.49Å; L120-A166 VanDerWaalsContact CD1-C 3.49Å; L120-A166 HydrophobicContact CD1-CB 3.74Å; L120-V167 HydrophobicContact CD1-CB 4.3Å; L120-V167 HydrophobicContact CD1-CG2 3.6Å; L120-A170 HydrophobicContact CB-CB 3.98Å; L120-A170 HydrophobicContact CD1-CB 4.41Å |
| 121 | F | 95.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 22.3 Ų | 22.3 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.9 | -32.7 | -179.7 | -70.7 | -61.6 | 0 | 0 | 0 | 112.8 | A82 V85 R86 M117 V119 A125 W163 | A82-F121 HydrophobicContact CB-CD1 4.15Å; A82-F121 HydrophobicContact CB-CE1 4.38Å; V85-F121 HydrophobicContact CB-CE1 4.26Å; V85-F121 HydrophobicContact CB-CZ 3.96Å; V85-F121 HydrophobicContact CG1-CE1 4.22Å; V85-F121 HydrophobicContact CG1-CE2 4.29Å; V85-F121 HydrophobicContact CG1-CZ 3.5Å; V85-F121 VanDerWaalsContact CG1-CZ 3.5Å; R86-F121 HydrophobicContact CB-CB 4.14Å; R86-F121 HydrophobicContact CB-CD1 4.35Å; R86-F121 HydrophobicContact CB-CD2 3.56Å; R86-F121 HydrophobicContact CB-CE2 4Å; R86-F121 HydrophobicContact CB-CG 3.79Å; R86-F121 HydrophobicContact CG-CB 4.1Å; R86-F121 HydrophobicContact CG-CD2 3.79Å; R86-F121 HydrophobicContact CG-CG 4.14Å; M117-F121 HydrophobicContact CB-CD2 4.48Å; M117-F121 HydrophobicContact CB-CE2 4.26Å; M117-F121 HydrophobicContact CE-CE2 3.55Å; M117-F121 HydrophobicContact CE-CZ 3.68Å; M117-F121 WeakPolarHBondContact O-CD2 3.3Å; M117-F121 PolarHBondContact O-N 3.44Å; V119-F121 PolarHBondContact O-N 3.49Å; F121-A125 WeakPolarHBondContact O-CB 3.34Å; F121-A125 PolarHBondContact O-N 3.48Å; F121-W163 HydrophobicContact CD1-CH2 4.31Å; F121-W163 AromaticContact CE1-CH2 3.82Å; F121-W163 HydrophobicContact CE1-CH2 3.82Å; F121-W163 HydrophobicContact CE1-CZ3 4.41Å |
| 122 | C | 92.6 | Very high | 93.4 | Very high | 14 Ų | 14 | 22.3 Ų | 22.3 | 10% | 0.095 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.1 | -50.4 | 174.4 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | S118 V119 L120 A125 A126 W314 | S118-C122 WeakPolarHBondContact O-CB 3.01Å; S118-C122 PolarHBondContact O-N 3.48Å; S118-C122 VanDerWaalsContact O-N 3.12Å; V119-C122 WeakPolarHBondContact O-CB 3.36Å; V119-C122 PolarHBondContact O-N 3.43Å; L120-C122 VanDerWaalsContact C-N 3.31Å; L120-C122 PolarHBondContact O-N 3.14Å; C122-A125 PolarHBondContact O-N 2.96Å; C122-A126 PolarHBondContact O-N 2.95Å; C122-W314 HydrophobicContact CB-CH2 3.93Å; C122-W314 HydrophobicContact CB-CZ2 4.49Å; C122-W314 WeakPolarHBondContact SG-CH2 3.42Å; C122-W314 WeakPolarHBondContact SG-CZ3 3.28Å |
| 123 | F | 93 | Very high | 93.7 | Very high | 11 Ų | 11 | 18.4 Ų | 18.4 | 5% | 0.048 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 177.1 | -81.8 | -66.1 | 0 | 0 | 0 | 112.2 | V119 L120 A125 A126 F127 A166 M169 F204 M207 L208 | V119-F123 HydrophobicContact CG1-CD2 3.59Å; V119-F123 HydrophobicContact CG1-CE2 3.57Å; V119-F123 WeakPolarHBondContact O-CD2 3.27Å; V119-F123 PolarHBondContact O-N 2.88Å; L120-F123 PolarHBondContact O-N 3.43Å; F123-A125 PolarHBondContact O-N 3.01Å; F123-A126 PolarHBondContact O-N 2.91Å; F123-F127 HydrophobicContact CB-CD2 4.36Å; F123-F127 HydrophobicContact CB-CE2 4.2Å; F123-F127 HydrophobicContact CD1-CE2 4.29Å; F123-F127 WeakPolarHBondContact O-CB 3.35Å; F123-F127 WeakPolarHBondContact O-CD2 3.48Å; F123-F127 PolarHBondContact O-N 3.28Å; F123-A166 HydrophobicContact CB-CB 4.25Å; F123-M169 HydrophobicContact CD1-CB 4.29Å; F123-M169 HydrophobicContact CD2-CB 3.98Å; F123-M169 HydrophobicContact CE2-CB 4.2Å; F123-M169 HydrophobicContact CG-CB 4.03Å; F123-M169 HydrophobicContact CZ-CB 4.48Å; F123-F204 HydrophobicContact CZ-CD1 4.32Å; F123-M207 HydrophobicContact CD1-CE 4.19Å; F123-M207 HydrophobicContact CE1-CE 3.38Å; F123-M207 HydrophobicContact CZ-CE 3.59Å; F123-L208 HydrophobicContact CD1-CD1 4.13Å; F123-L208 HydrophobicContact CE1-CB 3.93Å; F123-L208 HydrophobicContact CE1-CD1 3.97Å; F123-L208 HydrophobicContact CE1-CG 4.49Å; F123-L208 HydrophobicContact CZ-CB 4.34Å |
| 124 | H | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.7 | -50.3 | 173.7 | 176.4 | -92 | 0 | 0 | 0 | 111.3 | D78 L120 A126 F127 M128 W163 A166 | D78-H124 IonicContact OD1-NE2 2.74Å; D78-H124 IonicContact OD2-CE1 2.68Å; D78-H124 PolarHBondContact OD2-CE1 3.22Å; D78-H124 IonicContact OD2-NE2 3.87Å; D78-H124 PolarHBondContact OD2-NE2 3.02Å; D78-H124 VanDerWaalsContact OD2-NE2 3.14Å; L120-H124 VanDerWaalsContact O-CB 3.26Å; L120-H124 WeakPolarHBondContact O-CB 3.18Å; L120-H124 PolarHBondContact O-N 3.4Å; H124-A126 PolarHBondContact O-N 2.95Å; H124-F127 PolarHBondContact O-N 3.46Å; H124-M128 VanDerWaalsContact CE1-CG 3.48Å; H124-M128 WeakPolarHBondContact CE1-CG 3.2Å; H124-M128 VanDerWaalsContact O-CB 3.31Å; H124-M128 WeakPolarHBondContact O-CB 3.05Å; H124-M128 WeakPolarHBondContact O-CG 3.28Å; H124-M128 PolarHBondContact O-N 3.32Å; H124-W163 AromaticContact CD2-CD1 3.94Å; H124-W163 AromaticContact CD2-CD2 3.63Å; H124-W163 AromaticContact CD2-CE2 3.55Å; H124-W163 AromaticContact CD2-CG 3.91Å; H124-W163 AromaticContact CD2-NE1 3.72Å; H124-W163 AromaticContact NE2-CD1 3.62Å; H124-W163 AromaticContact NE2-CD2 3.86Å; H124-W163 AromaticContact NE2-CE2 3.32Å; H124-W163 VanDerWaalsContact NE2-CE2 3.32Å; H124-W163 AromaticContact NE2-CZ2 3.78Å; H124-W163 AromaticContact NE2-NE1 3.13Å; H124-W163 PolarHBondContact NE2-NE1 3.09Å; H124-W163 VanDerWaalsContact NE2-NE1 3.13Å; H124-A166 HydrophobicContact CB-CB 3.85Å |
| 125 | A | 94.9 | Very high | 93.8 | Very high | 9 Ų | 9 | 16.4 Ų | 16.4 | 7% | 0.074 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L79 F121 C122 F123 M128 L129 F310 | L79-A125 HydrophobicContact CD1-CB 4.15Å; F121-A125 WeakPolarHBondContact O-CB 3.34Å; F121-A125 PolarHBondContact O-N 3.48Å; C122-A125 PolarHBondContact O-N 2.96Å; F123-A125 PolarHBondContact O-N 3.01Å; A125-M128 PolarHBondContact O-N 3.01Å; A125-L129 WeakPolarHBondContact O-CB 3.4Å; A125-L129 WeakPolarHBondContact O-CG 3.4Å; A125-L129 PolarHBondContact O-N 3.41Å; A125-F310 HydrophobicContact CB-CE2 4.18Å |
| 126 | A | 93.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 3% | 0.025 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C122 F123 H124 L129 F130 L208 V211 | C122-A126 PolarHBondContact O-N 2.95Å; F123-A126 PolarHBondContact O-N 2.91Å; H124-A126 PolarHBondContact O-N 2.95Å; A126-L129 PolarHBondContact O-N 3.33Å; A126-F130 PolarHBondContact O-N 3.33Å; A126-L208 HydrophobicContact CB-CD1 3.96Å; A126-V211 HydrophobicContact CB-CG1 4.07Å |
| 127 | F | 95.7 | Very high | 93.8 | Very high | 21 Ų | 21 | 16 Ų | 16 | 9% | 0.092 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.9 | -38.9 | 177.5 | -71.4 | -48 | 0 | 0 | 0 | 112.5 | F123 H124 F130 C131 V162 L165 A166 M169 V211 | F123-F127 HydrophobicContact CB-CD2 4.36Å; F123-F127 HydrophobicContact CB-CE2 4.2Å; F123-F127 HydrophobicContact CD1-CE2 4.29Å; F123-F127 WeakPolarHBondContact O-CB 3.35Å; F123-F127 WeakPolarHBondContact O-CD2 3.48Å; F123-F127 PolarHBondContact O-N 3.28Å; H124-F127 PolarHBondContact O-N 3.46Å; F127-F130 WeakPolarHBondContact O-CB 3.37Å; F127-F130 PolarHBondContact O-N 3.38Å; F127-C131 PolarHBondContact O-N 3.39Å; F127-C131 PolarHBondContact O-SG 3.2Å; F127-V162 HydrophobicContact CB-CB 4.44Å; F127-V162 HydrophobicContact CB-CG1 3.59Å; F127-V162 HydrophobicContact CB-CG2 4.25Å; F127-L165 HydrophobicContact CD2-CB 4Å; F127-L165 HydrophobicContact CE2-CB 3.91Å; F127-L165 HydrophobicContact CZ-CB 4.45Å; F127-A166 HydrophobicContact CD2-CB 4.5Å; F127-M169 HydrophobicContact CE2-CG 3.92Å; F127-M169 HydrophobicContact CZ-CE 4.08Å; F127-M169 HydrophobicContact CZ-CG 4.03Å; F127-V211 HydrophobicContact CD1-CG1 3.95Å; F127-V211 HydrophobicContact CD1-CG2 4.21Å; F127-V211 HydrophobicContact CE1-CG1 4.18Å; F127-V211 HydrophobicContact CE1-CG2 3.59Å; F127-V211 HydrophobicContact CZ-CG2 4.38Å |
| 128 | M | 95.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 175.2 | -79.9 | -50.9 | -69.7 | 0 | 0 | 111.3 | F75 D78 H124 A125 F130 C131 V132 I159 V162 | F75-M128 HydrophobicContact CB-CE 3.83Å; F75-M128 HydrophobicContact CD1-CE 3.79Å; F75-M128 HydrophobicContact CG-CE 4.06Å; D78-M128 HydrophobicContact CB-CE 4.36Å; D78-M128 WeakPolarHBondContact OD2-CE 3.32Å; H124-M128 VanDerWaalsContact CE1-CG 3.48Å; H124-M128 WeakPolarHBondContact CE1-CG 3.2Å; H124-M128 VanDerWaalsContact O-CB 3.31Å; H124-M128 WeakPolarHBondContact O-CB 3.05Å; H124-M128 WeakPolarHBondContact O-CG 3.28Å; H124-M128 PolarHBondContact O-N 3.32Å; A125-M128 PolarHBondContact O-N 3.01Å; M128-F130 VanDerWaalsContact C-N 3.3Å; M128-F130 PolarHBondContact O-N 3.05Å; M128-C131 PolarHBondContact O-N 3.27Å; M128-V132 WeakPolarHBondContact O-CB 3.49Å; M128-V132 VanDerWaalsContact O-CG2 3.25Å; M128-V132 WeakPolarHBondContact O-CG2 3.47Å; M128-V132 PolarHBondContact O-N 3.21Å; M128-I159 HydrophobicContact CE-CG1 4.12Å; M128-V162 HydrophobicContact CB-CG1 4.39Å; M128-V162 HydrophobicContact CG-CB 4.31Å; M128-V162 HydrophobicContact CG-CG1 3.51Å; M128-V162 HydrophobicContact SD-CB 3.61Å; M128-V162 HydrophobicContact SD-CG1 3.51Å; M128-V162 VanDerWaalsContact SD-CG1 3.51Å; M128-V162 HydrophobicContact SD-CG2 3.67Å |
| 129 | L | 94 | Very high | 93.6 | Very high | 6 Ų | 6 | 14.7 Ų | 14.7 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.8 | -37.4 | 176.5 | -69.4 | 175.2 | 0 | 0 | 0 | 111.9 | L79 A125 A126 V132 A133 T215 I306 T307 F310 | L79-L129 HydrophobicContact CD2-CD2 4.15Å; A125-L129 WeakPolarHBondContact O-CB 3.4Å; A125-L129 WeakPolarHBondContact O-CG 3.4Å; A125-L129 PolarHBondContact O-N 3.41Å; A126-L129 PolarHBondContact O-N 3.33Å; L129-V132 PolarHBondContact O-N 3.39Å; L129-A133 WeakPolarHBondContact O-CB 3.35Å; L129-A133 PolarHBondContact O-N 2.84Å; L129-T215 HydrophobicContact CB-CG2 4.46Å; L129-I306 HydrophobicContact CD2-CG2 4.37Å; L129-T307 HydrophobicContact CB-CG2 4.43Å; L129-F310 HydrophobicContact CD1-CB 3.74Å; L129-F310 HydrophobicContact CD1-CD1 4Å; L129-F310 HydrophobicContact CD1-CD2 3.8Å; L129-F310 HydrophobicContact CD1-CE2 4.41Å; L129-F310 HydrophobicContact CD1-CG 3.56Å |
| 130 | F | 95.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 15.1 Ų | 15.1 | 26% | 0.259 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -61 | -50.8 | 171.4 | 179 | -102.9 | 0 | 0 | 0 | 112 | A126 F127 M128 V132 A133 V134 V211 A214 T215 F218 | A126-F130 PolarHBondContact O-N 3.33Å; F127-F130 WeakPolarHBondContact O-CB 3.37Å; F127-F130 PolarHBondContact O-N 3.38Å; M128-F130 VanDerWaalsContact C-N 3.3Å; M128-F130 PolarHBondContact O-N 3.05Å; F130-V132 VanDerWaalsContact C-N 3.3Å; F130-V132 PolarHBondContact O-N 3.37Å; F130-A133 WeakPolarHBondContact O-CB 3.44Å; F130-A133 PolarHBondContact O-N 3.16Å; F130-A133 VanDerWaalsContact O-N 3.11Å; F130-V134 HydrophobicContact CD1-CG2 4.43Å; F130-V134 HydrophobicContact CE1-CG2 4Å; F130-V134 HydrophobicContact CE2-CG2 4.32Å; F130-V134 HydrophobicContact CZ-CG2 3.94Å; F130-V134 WeakPolarHBondContact O-CG2 3.02Å; F130-V134 PolarHBondContact O-N 3.23Å; F130-V211 HydrophobicContact CB-CG1 4.45Å; F130-A214 HydrophobicContact CD2-CB 4.41Å; F130-A214 HydrophobicContact CE2-CB 4.09Å; F130-T215 WeakPolarHBondContact CA-OG1 3.4Å; F130-T215 WeakPolarHBondContact CB-OG1 3.44Å; F130-F218 HydrophobicContact CD2-CD2 4.41Å; F130-F218 AromaticContact CE2-CD2 3.56Å; F130-F218 HydrophobicContact CE2-CD2 3.56Å; F130-F218 AromaticContact CE2-CE2 3.56Å; F130-F218 HydrophobicContact CE2-CE2 3.56Å; F130-F218 HydrophobicContact CZ-CD2 4.2Å; F130-F218 AromaticContact CZ-CE2 3.76Å; F130-F218 HydrophobicContact CZ-CE2 3.76Å; F130-F218 HydrophobicContact CZ-CZ 4.47Å |
| 131 | C | 95.4 | Very high | 93.2 | Very high | 16 Ų | 16 | 15.7 Ų | 15.7 | 11% | 0.108 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.8 | -37.4 | 178 | -73.1 | 0 | 0 | 0 | 0 | 112.5 | F127 M128 T135 I158 V162 | F127-C131 PolarHBondContact O-N 3.39Å; F127-C131 PolarHBondContact O-SG 3.2Å; M128-C131 PolarHBondContact O-N 3.27Å; C131-T135 VanDerWaalsContact O-CB 3.29Å; C131-T135 WeakPolarHBondContact O-CB 3.45Å; C131-T135 PolarHBondContact O-N 3.41Å; C131-T135 PolarHBondContact O-OG1 3.4Å; C131-I158 HydrophobicContact CB-CG2 3.96Å; C131-V162 HydrophobicContact CB-CG2 4.47Å |
| 132 | V | 94.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 20 Ų | 20 | 4% | 0.036 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 172.3 | 169 | 0 | 0 | 0 | 0 | 110.3 | F75 M128 L129 F130 V134 T135 R136 F303 | F75-V132 HydrophobicContact CB-CG2 3.66Å; F75-V132 HydrophobicContact CD2-CG2 4.04Å; F75-V132 HydrophobicContact CG-CG2 4.2Å; M128-V132 WeakPolarHBondContact O-CB 3.49Å; M128-V132 VanDerWaalsContact O-CG2 3.25Å; M128-V132 WeakPolarHBondContact O-CG2 3.47Å; M128-V132 PolarHBondContact O-N 3.21Å; L129-V132 PolarHBondContact O-N 3.39Å; F130-V132 VanDerWaalsContact C-N 3.3Å; F130-V132 PolarHBondContact O-N 3.37Å; V132-V134 PolarHBondContact O-N 3.11Å; V132-T135 PolarHBondContact O-N 3.43Å; V132-R136 HydrophobicContact CG1-CG 4.24Å; V132-R136 WeakPolarHBondContact O-CG 3.38Å; V132-R136 PolarHBondContact O-N 2.97Å; V132-F303 HydrophobicContact CG1-CB 3.81Å; V132-F303 HydrophobicContact CG1-CD1 3.48Å; V132-F303 VanDerWaalsContact CG1-CD1 3.48Å; V132-F303 HydrophobicContact CG1-CD2 4.4Å; V132-F303 HydrophobicContact CG1-CE1 4.11Å; V132-F303 HydrophobicContact CG1-CG 3.64Å |
| 133 | A | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L129 F130 T135 R136 Y137 T215 F218 Y219 | L129-A133 WeakPolarHBondContact O-CB 3.35Å; L129-A133 PolarHBondContact O-N 2.84Å; F130-A133 WeakPolarHBondContact O-CB 3.44Å; F130-A133 PolarHBondContact O-N 3.16Å; F130-A133 VanDerWaalsContact O-N 3.11Å; A133-T135 VanDerWaalsContact C-N 3.33Å; A133-T135 PolarHBondContact O-N 3.26Å; A133-R136 PolarHBondContact O-N 3.49Å; A133-Y137 WeakPolarHBondContact O-CB 3.27Å; A133-Y137 PolarHBondContact O-N 2.8Å; A133-T215 HydrophobicContact CB-CG2 3.95Å; A133-F218 HydrophobicContact CB-CB 4.21Å; A133-Y219 HydrophobicContact CB-CD2 3.75Å; A133-Y219 HydrophobicContact CB-CE1 4.27Å; A133-Y219 HydrophobicContact CB-CE2 3.36Å; A133-Y219 HydrophobicContact CB-CG 4.35Å |
| 134 | V | 93.6 | Very high | 92.2 | Very high | 38 Ų | 38 | 33.6 Ų | 33.6 | 23% | 0.23 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 175.6 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | F130 V132 R136 Y137 L138 F218 | F130-V134 HydrophobicContact CD1-CG2 4.43Å; F130-V134 HydrophobicContact CE1-CG2 4Å; F130-V134 HydrophobicContact CE2-CG2 4.32Å; F130-V134 HydrophobicContact CZ-CG2 3.94Å; F130-V134 WeakPolarHBondContact O-CG2 3.02Å; F130-V134 PolarHBondContact O-N 3.23Å; V132-V134 PolarHBondContact O-N 3.11Å; V134-R136 PolarHBondContact O-N 3.49Å; V134-Y137 WeakPolarHBondContact O-CB 3.35Å; V134-Y137 PolarHBondContact O-N 3.43Å; V134-L138 HydrophobicContact CG1-CD1 4.12Å; V134-L138 HydrophobicContact CG1-CG 4.44Å; V134-L138 WeakPolarHBondContact O-CG 3.47Å; V134-L138 PolarHBondContact O-N 2.84Å; V134-F218 HydrophobicContact CG2-CD1 4.15Å; V134-F218 HydrophobicContact CG2-CD2 4.48Å; V134-F218 HydrophobicContact CG2-CE1 4.06Å; V134-F218 HydrophobicContact CG2-CE2 4.41Å; V134-F218 HydrophobicContact CG2-CG 4.36Å; V134-F218 HydrophobicContact CG2-CZ 4.19Å |
| 135 | T | 92.7 | Very high | 91.9 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -43.8 | -179.9 | -61.3 | 0 | 0 | 0 | 0 | 112 | F75 C131 V132 A133 Y137 L138 A139 Y146 M150 | F75-T135 HydrophobicContact CE2-CG2 3.89Å; F75-T135 WeakPolarHBondContact CE2-OG1 3.48Å; C131-T135 VanDerWaalsContact O-CB 3.29Å; C131-T135 WeakPolarHBondContact O-CB 3.45Å; C131-T135 PolarHBondContact O-N 3.41Å; C131-T135 PolarHBondContact O-OG1 3.4Å; V132-T135 PolarHBondContact O-N 3.43Å; A133-T135 VanDerWaalsContact C-N 3.33Å; A133-T135 PolarHBondContact O-N 3.26Å; T135-Y137 VanDerWaalsContact C-N 3.33Å; T135-L138 PolarHBondContact O-N 2.76Å; T135-A139 WeakPolarHBondContact O-CB 3.47Å; T135-A139 PolarHBondContact O-N 2.93Å; T135-Y146 HydrophobicContact CG2-CD2 4.4Å; T135-Y146 HydrophobicContact CG2-CE2 3.67Å; T135-M150 HydrophobicContact CG2-CE 3.64Å |
| 136 | R | 92.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 176.9 | -67.4 | -57.3 | 83.2 | -156.8 | -2.1 | 111.3 | V132 A133 V134 A139 I140 Y146 L222 E296 F303 | V132-R136 HydrophobicContact CG1-CG 4.24Å; V132-R136 WeakPolarHBondContact O-CG 3.38Å; V132-R136 PolarHBondContact O-N 2.97Å; A133-R136 PolarHBondContact O-N 3.49Å; V134-R136 PolarHBondContact O-N 3.49Å; R136-A139 PolarHBondContact O-N 3.3Å; R136-I140 PolarHBondContact O-N 2.84Å; R136-I140 VanDerWaalsContact O-N 3.14Å; R136-Y146 PolarHBondContact NH2-OH 3.39Å; R136-L222 HydrophobicContact CB-CD2 4.17Å; R136-E296 IonicContact CZ-OE2 3.81Å; R136-E296 IonicContact NH1-OE2 2.71Å; R136-E296 PolarHBondContact NH1-OE2 2.99Å; R136-F303 HydrophobicContact CG-CB 4.37Å; R136-F303 HydrophobicContact CG-CD2 4.32Å |
| 137 | Y | 90.8 | Very high | 91.4 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 12% | 0.122 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.8 | -47.2 | 172.3 | 175.3 | -94.8 | 0 | 0 | 0 | 111.9 | A133 V134 T135 A139 I140 A141 K221 L222 | A133-Y137 WeakPolarHBondContact O-CB 3.27Å; A133-Y137 PolarHBondContact O-N 2.8Å; V134-Y137 WeakPolarHBondContact O-CB 3.35Å; V134-Y137 PolarHBondContact O-N 3.43Å; T135-Y137 VanDerWaalsContact C-N 3.33Å; Y137-A139 PolarHBondContact O-N 3.38Å; Y137-I140 PolarHBondContact O-N 3.48Å; Y137-A141 HydrophobicContact CD2-CB 4.32Å; Y137-A141 HydrophobicContact CE1-CB 4.18Å; Y137-A141 HydrophobicContact CE2-CB 3.92Å; Y137-A141 VanDerWaalsContact O-CB 3.27Å; Y137-A141 WeakPolarHBondContact O-CB 3.39Å; Y137-A141 PolarHBondContact O-N 2.91Å; Y137-K221 HydrophobicContact CE2-CD 3.95Å; Y137-K221 HydrophobicContact CE2-CG 4.05Å; Y137-K221 WeakPolarHBondContact OH-CE 3.32Å; Y137-K221 PolarHBondContact OH-NZ 2.89Å; Y137-L222 HydrophobicContact CD2-CB 4.27Å; Y137-L222 HydrophobicContact CD2-CD1 4.36Å |
| 138 | L | 91.3 | Very high | 91.1 | Very high | 45 Ų | 45 | 50 Ų | 50 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | 177.9 | -69 | 175.3 | 0 | 0 | 0 | 112.5 | V134 T135 I140 H142 H143 Y146 | V134-L138 HydrophobicContact CG1-CD1 4.12Å; V134-L138 HydrophobicContact CG1-CG 4.44Å; V134-L138 WeakPolarHBondContact O-CG 3.47Å; V134-L138 PolarHBondContact O-N 2.84Å; T135-L138 PolarHBondContact O-N 2.76Å; L138-I140 VanDerWaalsContact C-N 3.34Å; L138-I140 PolarHBondContact O-N 3.46Å; L138-H142 CarbonylContact O-C 2.99Å; L138-H142 VanDerWaalsContact O-CA 3.26Å; L138-H142 WeakPolarHBondContact O-CA 3.46Å; L138-H142 PolarHBondContact O-N 3.17Å; L138-H143 PolarHBondContact O-N 2.93Å; L138-Y146 HydrophobicContact CB-CD2 4.48Å |
| 139 | A | 89.8 | Confident | 90.8 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T135 R136 Y137 H143 Y146 | T135-A139 WeakPolarHBondContact O-CB 3.47Å; T135-A139 PolarHBondContact O-N 2.93Å; R136-A139 PolarHBondContact O-N 3.3Å; Y137-A139 PolarHBondContact O-N 3.38Å; A139-H143 WeakPolarHBondContact O-CA 3.29Å; A139-H143 WeakPolarHBondContact O-CB 3.46Å; A139-Y146 HydrophobicContact CB-CD1 4.16Å; A139-Y146 HydrophobicContact CB-CD2 3.76Å; A139-Y146 HydrophobicContact CB-CE1 4.19Å; A139-Y146 HydrophobicContact CB-CE2 3.8Å; A139-Y146 HydrophobicContact CB-CG 3.97Å |
| 140 | I | 88.4 | Confident | 90.6 | Very high | 32 Ų | 32 | 58.8 Ų | 58.8 | 16% | 0.164 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -86.4 | -45.9 | -175.1 | -67 | 166.3 | 0 | 0 | 0 | 112 | R136 Y137 L138 L222 F225 | R136-I140 PolarHBondContact O-N 2.84Å; R136-I140 VanDerWaalsContact O-N 3.14Å; Y137-I140 PolarHBondContact O-N 3.48Å; L138-I140 VanDerWaalsContact C-N 3.34Å; L138-I140 PolarHBondContact O-N 3.46Å; I140-L222 HydrophobicContact CB-CD1 3.89Å; I140-L222 HydrophobicContact CD1-CD1 3.81Å; I140-L222 HydrophobicContact CD1-CD2 4.17Å; I140-L222 HydrophobicContact CD1-CG 4.44Å; I140-L222 HydrophobicContact CG1-CD1 4.43Å; I140-L222 HydrophobicContact CG2-CD1 3.94Å; I140-F225 HydrophobicContact CG2-CD1 4.04Å; I140-F225 HydrophobicContact CG2-CE1 3.94Å |
| 141 | A | 87.8 | Confident | 90.5 | Very high | 21 Ų | 21 | 59 Ų | 59 | 17% | 0.174 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -83.7 | -32 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y137 F225 | Y137-A141 HydrophobicContact CD2-CB 4.32Å; Y137-A141 HydrophobicContact CE1-CB 4.18Å; Y137-A141 HydrophobicContact CE2-CB 3.92Å; Y137-A141 VanDerWaalsContact O-CB 3.27Å; Y137-A141 WeakPolarHBondContact O-CB 3.39Å; Y137-A141 PolarHBondContact O-N 2.91Å; A141-F225 HydrophobicContact CB-CD1 4.31Å; A141-F225 HydrophobicContact CB-CD2 4.38Å; A141-F225 HydrophobicContact CB-CE1 4Å; A141-F225 HydrophobicContact CB-CE2 4.07Å; A141-F225 HydrophobicContact CB-CG 4.49Å; A141-F225 HydrophobicContact CB-CZ 3.87Å |
| 142 | H | 88.2 | Confident | 90.3 | Very high | 99 Ų | 99 | 63.4 Ų | 63.4 | 46% | 0.458 | 30% | 0.301 | S | S | . | . | trans | -132 | 49.1 | -174.2 | -63.2 | -69.4 | 0 | 0 | 0 | 112.1 | L138 R144 F145 Y146 | L138-H142 CarbonylContact O-C 2.99Å; L138-H142 VanDerWaalsContact O-CA 3.26Å; L138-H142 WeakPolarHBondContact O-CA 3.46Å; L138-H142 PolarHBondContact O-N 3.17Å; H142-R144 VanDerWaalsContact C-N 3.28Å; H142-R144 PolarHBondContact O-N 2.99Å; H142-R144 VanDerWaalsContact O-N 3.09Å; H142-F145 HydrophobicContact CB-CB 4.24Å; H142-F145 WeakPolarHBondContact O-CB 3.45Å; H142-F145 PolarHBondContact O-N 3.44Å; H142-Y146 PolarHBondContact O-N 3.11Å | ||
| 143 | H | 86.3 | Confident | 90.3 | Very high | 83 Ų | 83 | 73.1 Ų | 73.1 | 38% | 0.384 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -47.2 | -43.6 | -175.5 | -176.7 | -94.6 | 0 | 0 | 0 | 114.5 | L138 A139 F145 Y146 A147 | L138-H143 PolarHBondContact O-N 2.93Å; A139-H143 WeakPolarHBondContact O-CA 3.29Å; A139-H143 WeakPolarHBondContact O-CB 3.46Å; H143-F145 VanDerWaalsContact C-N 3.33Å; H143-F145 PolarHBondContact O-N 3.26Å; H143-Y146 PolarHBondContact O-N 2.89Å; H143-A147 WeakPolarHBondContact O-CB 3.3Å; H143-A147 PolarHBondContact O-N 3.25Å |
| 144 | R | 86.9 | Confident | 90.3 | Very high | 227 Ų | 227 | 75.4 Ų | 75.4 | 86% | 0.857 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.5 | -39.2 | 178.8 | -72 | -169.2 | -77 | 178.1 | -4.4 | 113 | H142 K148 | H142-R144 VanDerWaalsContact C-N 3.28Å; H142-R144 PolarHBondContact O-N 2.99Å; H142-R144 VanDerWaalsContact O-N 3.09Å; R144-K148 PolarHBondContact O-N 2.96Å |
| 145 | F | 89.4 | Confident | 90.3 | Very high | 110 Ų | 110 | 73.8 Ų | 73.8 | 48% | 0.482 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.1 | -45.6 | 176.9 | 179.3 | -93.2 | 0 | 0 | 0 | 110.4 | H142 H143 A147 K148 R149 | H142-F145 HydrophobicContact CB-CB 4.24Å; H142-F145 WeakPolarHBondContact O-CB 3.45Å; H142-F145 PolarHBondContact O-N 3.44Å; H143-F145 VanDerWaalsContact C-N 3.33Å; H143-F145 PolarHBondContact O-N 3.26Å; F145-A147 PolarHBondContact O-N 3.47Å; F145-K148 PolarHBondContact O-N 3.42Å; F145-R149 HydrophobicContact CD1-CG 4.3Å; F145-R149 HydrophobicContact CD2-CG 4.08Å; F145-R149 HydrophobicContact CE1-CB 4.26Å; F145-R149 HydrophobicContact CE1-CG 4.01Å; F145-R149 HydrophobicContact CE2-CG 3.78Å; F145-R149 HydrophobicContact CG-CG 4.34Å; F145-R149 HydrophobicContact CZ-CB 4.43Å; F145-R149 HydrophobicContact CZ-CG 3.75Å; F145-R149 WeakPolarHBondContact O-CB 3.33Å; F145-R149 WeakPolarHBondContact O-CG 3.26Å; F145-R149 PolarHBondContact O-N 3.29Å |
| 146 | Y | 90.3 | Very high | 90.5 | Very high | 22 Ų | 22 | 75.6 Ų | 75.6 | 9% | 0.086 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.6 | -52 | 177.1 | 174.6 | -90.3 | 0 | 0 | 0 | 111.9 | P72 T135 R136 L138 A139 H142 H143 K148 R149 M150 | P72-Y146 WeakPolarHBondContact CD-OH 3.44Å; T135-Y146 HydrophobicContact CG2-CD2 4.4Å; T135-Y146 HydrophobicContact CG2-CE2 3.67Å; R136-Y146 PolarHBondContact NH2-OH 3.39Å; L138-Y146 HydrophobicContact CB-CD2 4.48Å; A139-Y146 HydrophobicContact CB-CD1 4.16Å; A139-Y146 HydrophobicContact CB-CD2 3.76Å; A139-Y146 HydrophobicContact CB-CE1 4.19Å; A139-Y146 HydrophobicContact CB-CE2 3.8Å; A139-Y146 HydrophobicContact CB-CG 3.97Å; H142-Y146 PolarHBondContact O-N 3.11Å; H143-Y146 PolarHBondContact O-N 2.89Å; Y146-K148 VanDerWaalsContact C-N 3.27Å; Y146-K148 PolarHBondContact O-N 3.44Å; Y146-R149 PolarHBondContact O-N 3.49Å; Y146-M150 HydrophobicContact CD2-CB 4.28Å; Y146-M150 HydrophobicContact CD2-CG 3.42Å; Y146-M150 VanDerWaalsContact CD2-CG 3.42Å; Y146-M150 HydrophobicContact CE2-CB 4.12Å; Y146-M150 HydrophobicContact CE2-CE 4.23Å; Y146-M150 HydrophobicContact CE2-CG 3.51Å; Y146-M150 HydrophobicContact CG-CG 4.02Å; Y146-M150 VanDerWaalsContact O-CB 3.3Å; Y146-M150 WeakPolarHBondContact O-CB 3.25Å; Y146-M150 WeakPolarHBondContact O-CG 3.49Å; Y146-M150 PolarHBondContact O-N 2.98Å |
| 147 | A | 86.9 | Confident | 90.7 | Very high | 66 Ų | 66 | 78.4 Ų | 78.4 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.9 | -31.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | H143 F145 | H143-A147 WeakPolarHBondContact O-CB 3.3Å; H143-A147 PolarHBondContact O-N 3.25Å; F145-A147 PolarHBondContact O-N 3.47Å |
| 148 | K | 89.8 | Confident | 90.9 | Very high | 178 Ų | 178 | 78.4 Ų | 78.4 | 77% | 0.774 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -82.6 | -31.6 | 178.8 | -172.1 | 175.2 | 179.9 | 178.9 | 0 | 113.1 | R144 F145 Y146 | R144-K148 PolarHBondContact O-N 2.96Å; F145-K148 PolarHBondContact O-N 3.42Å; Y146-K148 VanDerWaalsContact C-N 3.27Å; Y146-K148 PolarHBondContact O-N 3.44Å |
| 149 | R | 90 | Very high | 91.2 | Very high | 156 Ų | 156 | 77.7 Ų | 77.7 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -101.7 | -28.3 | -170.1 | -70.2 | -73.4 | -167.3 | 171.3 | 1.7 | 114.1 | F145 Y146 T151 T154 | F145-R149 HydrophobicContact CD1-CG 4.3Å; F145-R149 HydrophobicContact CD2-CG 4.08Å; F145-R149 HydrophobicContact CE1-CB 4.26Å; F145-R149 HydrophobicContact CE1-CG 4.01Å; F145-R149 HydrophobicContact CE2-CG 3.78Å; F145-R149 HydrophobicContact CG-CG 4.34Å; F145-R149 HydrophobicContact CZ-CB 4.43Å; F145-R149 HydrophobicContact CZ-CG 3.75Å; F145-R149 WeakPolarHBondContact O-CB 3.33Å; F145-R149 WeakPolarHBondContact O-CG 3.26Å; F145-R149 PolarHBondContact O-N 3.29Å; Y146-R149 PolarHBondContact O-N 3.49Å; R149-T151 PolarHBondContact O-N 3.49Å; R149-T154 PolarHBondContact O-OG1 3.24Å |
| 150 | M | 90.1 | Very high | 91.6 | Very high | 37 Ų | 37 | 81.3 Ų | 81.3 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | trans | -82.5 | 87.3 | -176.1 | -68.3 | -65.5 | -68.9 | 0 | 0 | 110.8 | A71 F75 T135 Y146 T154 I158 | A71-M150 HydrophobicContact CB-CB 4.43Å; A71-M150 HydrophobicContact CB-CE 3.63Å; F75-M150 HydrophobicContact CE2-CE 4.08Å; F75-M150 HydrophobicContact CZ-CE 4.04Å; T135-M150 HydrophobicContact CG2-CE 3.64Å; Y146-M150 HydrophobicContact CD2-CB 4.28Å; Y146-M150 HydrophobicContact CD2-CG 3.42Å; Y146-M150 VanDerWaalsContact CD2-CG 3.42Å; Y146-M150 HydrophobicContact CE2-CB 4.12Å; Y146-M150 HydrophobicContact CE2-CE 4.23Å; Y146-M150 HydrophobicContact CE2-CG 3.51Å; Y146-M150 HydrophobicContact CG-CG 4.02Å; Y146-M150 VanDerWaalsContact O-CB 3.3Å; Y146-M150 WeakPolarHBondContact O-CB 3.25Å; Y146-M150 WeakPolarHBondContact O-CG 3.49Å; Y146-M150 PolarHBondContact O-N 2.98Å; M150-T154 HydrophobicContact SD-CG2 4.31Å; M150-I158 HydrophobicContact CE-CD1 4.49Å | ||
| 151 | T | 92.7 | Very high | 92 | Very high | 64 Ų | 64 | 83.5 Ų | 83.5 | 39% | 0.393 | 41% | 0.413 | S | S | . | . | trans | -99.9 | 168.5 | 172.2 | 70 | 0 | 0 | 0 | 0 | 110.9 | R149 W153 T154 C155 | R149-T151 PolarHBondContact O-N 3.49Å; T151-W153 VanDerWaalsContact C-N 3.26Å; T151-W153 PolarHBondContact O-N 2.95Å; T151-T154 WeakPolarHBondContact O-CB 3.35Å; T151-T154 PolarHBondContact O-N 3.19Å; T151-T154 PolarHBondContact OG1-N 3.13Å; T151-T154 PolarHBondContact OG1-OG1 3.49Å; T151-C155 PolarHBondContact O-N 3.07Å; T151-C155 PolarHBondContact O-SG 3.37Å | ||
| 152 | I | 90.8 | Very high | 92.5 | Very high | 107 Ų | 107 | 82.5 Ų | 82.5 | 55% | 0.549 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.3 | -38.5 | 174.8 | -165.2 | 164.7 | 0 | 0 | 0 | 112 | F74 C155 A156 | F74-I152 HydrophobicContact CE2-CD1 4.39Å; F74-I152 HydrophobicContact CE2-CG1 4.3Å; F74-I152 HydrophobicContact CZ-CD1 4.05Å; F74-I152 HydrophobicContact CZ-CG1 4.41Å; I152-C155 WeakPolarHBondContact O-CB 3.47Å; I152-C155 PolarHBondContact O-N 3.29Å; I152-A156 PolarHBondContact O-N 2.95Å |
| 153 | W | 93.8 | Very high | 93 | Very high | 210 Ų | 210 | 81.5 Ų | 81.5 | 80% | 0.795 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.6 | -38.7 | 176.4 | -62.1 | 109.7 | 0 | 0 | 0 | 112.3 | T151 C155 A156 A157 | T151-W153 VanDerWaalsContact C-N 3.26Å; T151-W153 PolarHBondContact O-N 2.95Å; W153-C155 VanDerWaalsContact C-N 3.35Å; W153-A156 PolarHBondContact O-N 3.31Å; W153-A157 WeakPolarHBondContact O-CB 3.33Å; W153-A157 PolarHBondContact O-N 3.45Å |
| 154 | T | 94.2 | Very high | 93.5 | Very high | 49 Ų | 49 | 81.9 Ų | 81.9 | 30% | 0.301 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 174.1 | -48.6 | 0 | 0 | 0 | 0 | 111.2 | R149 M150 T151 A157 I158 | R149-T154 PolarHBondContact O-OG1 3.24Å; M150-T154 HydrophobicContact SD-CG2 4.31Å; T151-T154 WeakPolarHBondContact O-CB 3.35Å; T151-T154 PolarHBondContact O-N 3.19Å; T151-T154 PolarHBondContact OG1-N 3.13Å; T151-T154 PolarHBondContact OG1-OG1 3.49Å; T154-A157 PolarHBondContact O-N 2.96Å; T154-I158 HydrophobicContact CG2-CD1 4.17Å; T154-I158 VanDerWaalsContact O-CG1 3.29Å; T154-I158 WeakPolarHBondContact O-CG1 3.5Å; T154-I158 PolarHBondContact O-N 3.43Å |
| 155 | C | 94.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 74.1 Ų | 74.1 | 3% | 0.027 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 175.6 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | A71 F75 T151 I152 W153 A157 I158 I159 | A71-C155 VanDerWaalsContact CB-SG 3.54Å; F75-C155 HydrophobicContact CE1-CB 4.04Å; F75-C155 HydrophobicContact CZ-CB 4.39Å; T151-C155 PolarHBondContact O-N 3.07Å; T151-C155 PolarHBondContact O-SG 3.37Å; I152-C155 WeakPolarHBondContact O-CB 3.47Å; I152-C155 PolarHBondContact O-N 3.29Å; W153-C155 VanDerWaalsContact C-N 3.35Å; C155-A157 PolarHBondContact O-N 3.32Å; C155-I158 PolarHBondContact O-N 2.95Å; C155-I159 WeakPolarHBondContact O-CG1 3.43Å; C155-I159 PolarHBondContact O-N 3.41Å |
| 156 | A | 95.4 | Very high | 94.2 | Very high | 44 Ų | 44 | 68.9 Ų | 68.9 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I152 W153 I158 I159 C160 | I152-A156 PolarHBondContact O-N 2.95Å; W153-A156 PolarHBondContact O-N 3.31Å; A156-I158 VanDerWaalsContact C-N 3.35Å; A156-I158 PolarHBondContact O-N 2.82Å; A156-I159 PolarHBondContact O-N 2.94Å; A156-C160 WeakPolarHBondContact O-CB 3.34Å; A156-C160 PolarHBondContact O-N 3.06Å; A156-C160 PolarHBondContact O-SG 3.13Å |
| 157 | A | 96.6 | Very high | 94.4 | Very high | 59 Ų | 59 | 70.7 Ų | 70.7 | 49% | 0.488 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W153 T154 C155 M161 | W153-A157 WeakPolarHBondContact O-CB 3.33Å; W153-A157 PolarHBondContact O-N 3.45Å; T154-A157 PolarHBondContact O-N 2.96Å; C155-A157 PolarHBondContact O-N 3.32Å; A157-M161 VanDerWaalsContact O-CB 3.28Å; A157-M161 WeakPolarHBondContact O-CB 3.05Å; A157-M161 PolarHBondContact O-N 3.35Å |
| 158 | I | 96.7 | Very high | 94.6 | Very high | 31 Ų | 31 | 70.3 Ų | 70.3 | 16% | 0.159 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 175.2 | -70.1 | 164.4 | 0 | 0 | 0 | 110.5 | F75 C131 M150 T154 C155 A156 M161 V162 | F75-I158 HydrophobicContact CE1-CB 4.12Å; F75-I158 HydrophobicContact CE1-CG2 3.91Å; F75-I158 HydrophobicContact CZ-CB 4.22Å; F75-I158 HydrophobicContact CZ-CD1 3.87Å; F75-I158 HydrophobicContact CZ-CG2 3.97Å; C131-I158 HydrophobicContact CB-CG2 3.96Å; M150-I158 HydrophobicContact CE-CD1 4.49Å; T154-I158 HydrophobicContact CG2-CD1 4.17Å; T154-I158 VanDerWaalsContact O-CG1 3.29Å; T154-I158 WeakPolarHBondContact O-CG1 3.5Å; T154-I158 PolarHBondContact O-N 3.43Å; C155-I158 PolarHBondContact O-N 2.95Å; A156-I158 VanDerWaalsContact C-N 3.35Å; A156-I158 PolarHBondContact O-N 2.82Å; I158-M161 HydrophobicContact CG2-CE 4.38Å; I158-M161 PolarHBondContact O-N 3.26Å; I158-V162 WeakPolarHBondContact O-CG2 3.35Å; I158-V162 PolarHBondContact O-N 3.45Å |
| 159 | I | 97.4 | Very high | 94.5 | Very high | 30 Ų | 30 | 64 Ų | 64 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 178.3 | -69 | 164.8 | 0 | 0 | 0 | 110.2 | F75 D78 M128 C155 A156 M161 V162 W163 | F75-I159 HydrophobicContact CD1-CD1 4.19Å; F75-I159 HydrophobicContact CD1-CG1 3.99Å; F75-I159 HydrophobicContact CE1-CD1 4.47Å; F75-I159 HydrophobicContact CE1-CG1 4.15Å; D78-I159 HydrophobicContact CB-CD1 4.11Å; D78-I159 HydrophobicContact CB-CG1 4.35Å; D78-I159 HydrophobicContact CB-CG2 4.48Å; D78-I159 WeakPolarHBondContact OD1-CG2 3.33Å; M128-I159 HydrophobicContact CE-CG1 4.12Å; C155-I159 WeakPolarHBondContact O-CG1 3.43Å; C155-I159 PolarHBondContact O-N 3.41Å; A156-I159 PolarHBondContact O-N 2.94Å; I159-M161 VanDerWaalsContact C-N 3.29Å; I159-M161 PolarHBondContact O-N 3.08Å; I159-V162 PolarHBondContact O-N 2.75Å; I159-V162 VanDerWaalsContact O-N 3.09Å; I159-W163 VanDerWaalsContact O-CD1 3.29Å; I159-W163 PolarHBondContact O-N 3.36Å |
| 160 | C | 97.6 | Very high | 94.4 | Very high | 79 Ų | 79 | 56.6 Ų | 56.6 | 53% | 0.534 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.6 | -42.6 | 176.8 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | A156 V162 W163 T164 | A156-C160 WeakPolarHBondContact O-CB 3.34Å; A156-C160 PolarHBondContact O-N 3.06Å; A156-C160 PolarHBondContact O-SG 3.13Å; C160-V162 VanDerWaalsContact C-N 3.32Å; C160-V162 PolarHBondContact O-N 3.25Å; C160-W163 PolarHBondContact O-N 3.48Å; C160-T164 WeakPolarHBondContact O-CG2 3.35Å; C160-T164 PolarHBondContact O-N 3.42Å; C160-T164 PolarHBondContact O-OG1 3.38Å |
| 161 | M | 97.4 | Very high | 94.2 | Very high | 77 Ų | 77 | 59.1 Ų | 59.1 | 38% | 0.379 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 176.7 | 175.8 | -87.9 | -65.7 | 0 | 0 | 112.3 | A157 I158 I159 T164 L165 | A157-M161 VanDerWaalsContact O-CB 3.28Å; A157-M161 WeakPolarHBondContact O-CB 3.05Å; A157-M161 PolarHBondContact O-N 3.35Å; I158-M161 HydrophobicContact CG2-CE 4.38Å; I158-M161 PolarHBondContact O-N 3.26Å; I159-M161 VanDerWaalsContact C-N 3.29Å; I159-M161 PolarHBondContact O-N 3.08Å; M161-T164 WeakPolarHBondContact CA-OG1 3.04Å; M161-T164 PolarHBondContact O-OG1 3.28Å; M161-L165 HydrophobicContact CG-CD1 4.24Å; M161-L165 WeakPolarHBondContact O-CB 3.27Å; M161-L165 WeakPolarHBondContact O-CG 3.27Å; M161-L165 PolarHBondContact O-N 2.64Å; M161-L165 HydrophobicContact SD-CD1 3.26Å; M161-L165 WeakPolarHBondContact SD-CD1 3.46Å; M161-L165 HydrophobicContact SD-CG 4.27Å |
| 162 | V | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.5 | -42.4 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | F127 M128 C131 I158 I159 C160 T164 L165 A166 | F127-V162 HydrophobicContact CB-CB 4.44Å; F127-V162 HydrophobicContact CB-CG1 3.59Å; F127-V162 HydrophobicContact CB-CG2 4.25Å; M128-V162 HydrophobicContact CB-CG1 4.39Å; M128-V162 HydrophobicContact CG-CB 4.31Å; M128-V162 HydrophobicContact CG-CG1 3.51Å; M128-V162 HydrophobicContact SD-CB 3.61Å; M128-V162 HydrophobicContact SD-CG1 3.51Å; M128-V162 VanDerWaalsContact SD-CG1 3.51Å; M128-V162 HydrophobicContact SD-CG2 3.67Å; C131-V162 HydrophobicContact CB-CG2 4.47Å; I158-V162 WeakPolarHBondContact O-CG2 3.35Å; I158-V162 PolarHBondContact O-N 3.45Å; I159-V162 PolarHBondContact O-N 2.75Å; I159-V162 VanDerWaalsContact O-N 3.09Å; C160-V162 VanDerWaalsContact C-N 3.32Å; C160-V162 PolarHBondContact O-N 3.25Å; V162-T164 PolarHBondContact O-N 2.98Å; V162-L165 PolarHBondContact O-N 3.31Å; V162-A166 VanDerWaalsContact O-CB 3.32Å; V162-A166 WeakPolarHBondContact O-CB 3.02Å; V162-A166 PolarHBondContact O-N 2.85Å |
| 163 | W | 97.9 | Very high | 92.9 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 30% | 0.295 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 173.8 | -83.4 | 99.5 | 0 | 0 | 0 | 112.3 | D78 A82 L120 F121 H124 I159 C160 A166 V167 | D78-W163 PolarHBondContact OD1-NE1 3.12Å; D78-W163 VanDerWaalsContact OD1-NE1 3.11Å; A82-W163 HydrophobicContact CB-CZ2 4.38Å; L120-W163 HydrophobicContact CD2-CZ3 4.28Å; L120-W163 HydrophobicContact CG-CZ3 4.49Å; F121-W163 HydrophobicContact CD1-CH2 4.31Å; F121-W163 AromaticContact CE1-CH2 3.82Å; F121-W163 HydrophobicContact CE1-CH2 3.82Å; F121-W163 HydrophobicContact CE1-CZ3 4.41Å; H124-W163 AromaticContact CD2-CD1 3.94Å; H124-W163 AromaticContact CD2-CD2 3.63Å; H124-W163 AromaticContact CD2-CE2 3.55Å; H124-W163 AromaticContact CD2-CG 3.91Å; H124-W163 AromaticContact CD2-NE1 3.72Å; H124-W163 AromaticContact NE2-CD1 3.62Å; H124-W163 AromaticContact NE2-CD2 3.86Å; H124-W163 AromaticContact NE2-CE2 3.32Å; H124-W163 VanDerWaalsContact NE2-CE2 3.32Å; H124-W163 AromaticContact NE2-CZ2 3.78Å; H124-W163 AromaticContact NE2-NE1 3.13Å; H124-W163 PolarHBondContact NE2-NE1 3.09Å; H124-W163 VanDerWaalsContact NE2-NE1 3.13Å; I159-W163 VanDerWaalsContact O-CD1 3.29Å; I159-W163 PolarHBondContact O-N 3.36Å; C160-W163 PolarHBondContact O-N 3.48Å; W163-A166 PolarHBondContact O-N 3.13Å; W163-V167 WeakPolarHBondContact O-CG2 3.31Å; W163-V167 PolarHBondContact O-N 3.13Å |
| 164 | T | 97.1 | Very high | 92 | Very high | 91 Ų | 91 | 46.7 Ų | 46.7 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.8 | -41.6 | 178.7 | 56.1 | 0 | 0 | 0 | 0 | 112 | C160 M161 V162 V167 A168 | C160-T164 WeakPolarHBondContact O-CG2 3.35Å; C160-T164 PolarHBondContact O-N 3.42Å; C160-T164 PolarHBondContact O-OG1 3.38Å; M161-T164 WeakPolarHBondContact CA-OG1 3.04Å; M161-T164 PolarHBondContact O-OG1 3.28Å; V162-T164 PolarHBondContact O-N 2.98Å; T164-V167 PolarHBondContact O-N 3.4Å; T164-A168 WeakPolarHBondContact O-CB 3.44Å; T164-A168 PolarHBondContact O-N 3.17Å |
| 165 | L | 95.1 | Very high | 90.9 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 34% | 0.335 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 173 | -77.4 | 168.7 | 0 | 0 | 0 | 111.7 | F127 M161 V162 V167 A168 M169 | F127-L165 HydrophobicContact CD2-CB 4Å; F127-L165 HydrophobicContact CE2-CB 3.91Å; F127-L165 HydrophobicContact CZ-CB 4.45Å; M161-L165 HydrophobicContact CG-CD1 4.24Å; M161-L165 WeakPolarHBondContact O-CB 3.27Å; M161-L165 WeakPolarHBondContact O-CG 3.27Å; M161-L165 PolarHBondContact O-N 2.64Å; M161-L165 HydrophobicContact SD-CD1 3.26Å; M161-L165 WeakPolarHBondContact SD-CD1 3.46Å; M161-L165 HydrophobicContact SD-CG 4.27Å; V162-L165 PolarHBondContact O-N 3.31Å; L165-V167 VanDerWaalsContact C-N 3.35Å; L165-V167 PolarHBondContact O-N 2.79Å; L165-A168 PolarHBondContact O-N 3.2Å; L165-M169 VanDerWaalsContact O-CG 3.3Å; L165-M169 WeakPolarHBondContact O-CG 3.47Å; L165-M169 PolarHBondContact O-N 3.07Å |
| 166 | A | 95.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L120 F123 H124 F127 V162 W163 M169 A170 | L120-A166 VanDerWaalsContact CD1-C 3.49Å; L120-A166 HydrophobicContact CD1-CB 3.74Å; F123-A166 HydrophobicContact CB-CB 4.25Å; H124-A166 HydrophobicContact CB-CB 3.85Å; F127-A166 HydrophobicContact CD2-CB 4.5Å; V162-A166 VanDerWaalsContact O-CB 3.32Å; V162-A166 WeakPolarHBondContact O-CB 3.02Å; V162-A166 PolarHBondContact O-N 2.85Å; W163-A166 PolarHBondContact O-N 3.13Å; A166-M169 PolarHBondContact O-N 3.18Å; A166-A170 WeakPolarHBondContact O-CB 3.41Å; A166-A170 PolarHBondContact O-N 2.87Å |
| 167 | V | 94.1 | Very high | 87.6 | Confident | 61 Ų | 61 | 59.5 Ų | 59.5 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63 | -47.1 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | L120 W163 T164 L165 M169 A170 F171 | L120-V167 HydrophobicContact CD1-CB 4.3Å; L120-V167 HydrophobicContact CD1-CG2 3.6Å; W163-V167 WeakPolarHBondContact O-CG2 3.31Å; W163-V167 PolarHBondContact O-N 3.13Å; T164-V167 PolarHBondContact O-N 3.4Å; L165-V167 VanDerWaalsContact C-N 3.35Å; L165-V167 PolarHBondContact O-N 2.79Å; V167-M169 PolarHBondContact O-N 3.11Å; V167-A170 PolarHBondContact O-N 3.34Å; V167-A170 VanDerWaalsContact O-N 3.13Å; V167-F171 VanDerWaalsContact O-CB 3.24Å; V167-F171 WeakPolarHBondContact O-CB 3.23Å; V167-F171 PolarHBondContact O-N 3.46Å |
| 168 | A | 91.7 | Very high | 85.8 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.7 | -31.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T164 L165 P172 | T164-A168 WeakPolarHBondContact O-CB 3.44Å; T164-A168 PolarHBondContact O-N 3.17Å; L165-A168 PolarHBondContact O-N 3.2Å; A168-P172 WeakPolarHBondContact O-CD 3.45Å |
| 169 | M | 87.9 | Confident | 84.6 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 22% | 0.222 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -82.8 | -34.4 | 175.6 | -62.1 | -47.2 | -169.2 | 0 | 0 | 113.9 | F123 F127 L165 A166 V167 P172 F204 M207 | F123-M169 HydrophobicContact CD1-CB 4.29Å; F123-M169 HydrophobicContact CD2-CB 3.98Å; F123-M169 HydrophobicContact CE2-CB 4.2Å; F123-M169 HydrophobicContact CG-CB 4.03Å; F123-M169 HydrophobicContact CZ-CB 4.48Å; F127-M169 HydrophobicContact CE2-CG 3.92Å; F127-M169 HydrophobicContact CZ-CE 4.08Å; F127-M169 HydrophobicContact CZ-CG 4.03Å; L165-M169 VanDerWaalsContact O-CG 3.3Å; L165-M169 WeakPolarHBondContact O-CG 3.47Å; L165-M169 PolarHBondContact O-N 3.07Å; A166-M169 PolarHBondContact O-N 3.18Å; V167-M169 PolarHBondContact O-N 3.11Å; M169-P172 WeakPolarHBondContact O-CD 3.46Å; M169-F204 WeakPolarHBondContact O-CE1 3.45Å; M169-M207 HydrophobicContact CB-CE 3.85Å; M169-M207 HydrophobicContact CE-CE 3.72Å; M169-M207 HydrophobicContact CE-CG 4.34Å; M169-M207 HydrophobicContact CE-SD 3.07Å; M169-M207 WeakPolarHBondContact CE-SD 3.25Å; M169-M207 HydrophobicContact CG-CE 3.47Å; M169-M207 VanDerWaalsContact CG-CE 3.47Å; M169-M207 HydrophobicContact CG-SD 4.18Å; M169-M207 HydrophobicContact SD-CE 3.3Å; M169-M207 WeakPolarHBondContact SD-CE 3.44Å; M169-M207 HydrophobicContact SD-SD 3.35Å |
| 170 | A | 88.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -78.4 | -21.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F116 V119 L120 A166 V167 Y180 | F116-A170 HydrophobicContact CD2-CB 3.85Å; F116-A170 WeakPolarHBondContact CD2-O 3.19Å; F116-A170 HydrophobicContact CE2-CB 3.56Å; F116-A170 HydrophobicContact CZ-CB 4.3Å; V119-A170 HydrophobicContact CG1-CB 4.11Å; L120-A170 HydrophobicContact CB-CB 3.98Å; L120-A170 HydrophobicContact CD1-CB 4.41Å; A166-A170 WeakPolarHBondContact O-CB 3.41Å; A166-A170 PolarHBondContact O-N 2.87Å; V167-A170 PolarHBondContact O-N 3.34Å; V167-A170 VanDerWaalsContact O-N 3.13Å; A170-Y180 PolarHBondContact O-OH 3.34Å |
| 171 | F | 85.3 | Confident | 83.3 | Confident | 91 Ų | 91 | 56 Ų | 56 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -79.7 | -37.4 | -170.1 | -161.1 | -121.8 | 0 | 0 | 0 | 116.2 | F116 V167 V174 F175 | F116-F171 HydrophobicContact CE2-CB 4.5Å; F116-F171 HydrophobicContact CE2-CD2 4.28Å; V167-F171 VanDerWaalsContact O-CB 3.24Å; V167-F171 WeakPolarHBondContact O-CB 3.23Å; V167-F171 PolarHBondContact O-N 3.46Å; F171-V174 HydrophobicContact CD2-CG2 4.33Å; F171-V174 WeakPolarHBondContact O-CB 3.32Å; F171-V174 WeakPolarHBondContact O-CG2 3.15Å; F171-V174 PolarHBondContact O-N 2.99Å; F171-F175 HydrophobicContact CD1-CD2 4.18Å; F171-F175 AromaticContact CD1-CE2 3.25Å; F171-F175 HydrophobicContact CD1-CE2 3.25Å; F171-F175 AromaticContact CD1-CZ 3.78Å; F171-F175 HydrophobicContact CD1-CZ 3.78Å; F171-F175 HydrophobicContact CE1-CD2 4.23Å; F171-F175 HydrophobicContact CE1-CE1 4.17Å; F171-F175 AromaticContact CE1-CE2 3.05Å; F171-F175 HydrophobicContact CE1-CE2 3.05Å; F171-F175 AromaticContact CE1-CZ 3.02Å; F171-F175 HydrophobicContact CE1-CZ 3.02Å; F171-F175 HydrophobicContact CE2-CZ 4.5Å; F171-F175 HydrophobicContact CG-CE2 4.2Å; F171-F175 HydrophobicContact CZ-CE1 4.23Å; F171-F175 AromaticContact CZ-CE2 3.82Å; F171-F175 HydrophobicContact CZ-CE2 3.82Å; F171-F175 AromaticContact CZ-CZ 3.44Å; F171-F175 HydrophobicContact CZ-CZ 3.44Å; F171-F175 VanDerWaalsContact CZ-CZ 3.44Å |
| 172 | P | 80.9 | Confident | 82.8 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.8 | -36.2 | -176 | -23.5 | 33.3 | 0 | 0 | 0 | 114.9 | A168 M169 V174 F175 F204 | A168-P172 WeakPolarHBondContact O-CD 3.45Å; M169-P172 WeakPolarHBondContact O-CD 3.46Å; P172-V174 PolarHBondContact O-N 3.36Å; P172-F175 PolarHBondContact O-N 3.46Å; P172-F204 HydrophobicContact CB-CE2 4.34Å; P172-F204 HydrophobicContact CB-CZ 3.72Å; P172-F204 HydrophobicContact CG-CE1 4.42Å; P172-F204 HydrophobicContact CG-CZ 3.79Å |
| 173 | P | 75.2 | Confident | 82.2 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.032 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.3 | -30.3 | 171.3 | -27.1 | 36.4 | 0 | 0 | 0 | 113.6 | F175 N176 T179 Y180 F191 F204 | P173-F175 VanDerWaalsContact C-N 3.27Å; P173-F175 PolarHBondContact O-N 3.23Å; P173-N176 PolarHBondContact O-N 3.36Å; P173-T179 PolarHBondContact O-OG1 3.03Å; P173-Y180 HydrophobicContact CB-CD2 4.23Å; P173-Y180 HydrophobicContact CB-CE1 4.1Å; P173-Y180 HydrophobicContact CB-CE2 3.61Å; P173-F191 HydrophobicContact CB-CD2 3.91Å; P173-F191 HydrophobicContact CB-CE2 3.96Å; P173-F191 HydrophobicContact CG-CD2 4.06Å; P173-F191 HydrophobicContact CG-CE2 4.06Å; P173-F204 HydrophobicContact CG-CE2 4.12Å; P173-F204 HydrophobicContact CG-CZ 4.3Å |
| 174 | V | 75.1 | Confident | 81.6 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.9 | -33 | -176.9 | -177.9 | 0 | 0 | 0 | 0 | 112.5 | F116 F171 P172 Y180 | F116-V174 HydrophobicContact CD2-CG2 3.65Å; F116-V174 HydrophobicContact CE2-CG2 4.29Å; F116-V174 HydrophobicContact CG-CG2 4.37Å; F171-V174 HydrophobicContact CD2-CG2 4.33Å; F171-V174 WeakPolarHBondContact O-CB 3.32Å; F171-V174 WeakPolarHBondContact O-CG2 3.15Å; F171-V174 PolarHBondContact O-N 2.99Å; P172-V174 PolarHBondContact O-N 3.36Å; V174-Y180 HydrophobicContact CG2-CD2 4.41Å; V174-Y180 HydrophobicContact CG2-CE2 3.8Å |
| 175 | F | 70.3 | Confident | 80.9 | Confident | 144 Ų | 144 | 58.7 Ų | 58.7 | 63% | 0.632 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -78.5 | -21.9 | -176.9 | -69 | -64.2 | 0 | 0 | 0 | 114.5 | F171 P172 P173 | F171-F175 HydrophobicContact CD1-CD2 4.18Å; F171-F175 AromaticContact CD1-CE2 3.25Å; F171-F175 HydrophobicContact CD1-CE2 3.25Å; F171-F175 AromaticContact CD1-CZ 3.78Å; F171-F175 HydrophobicContact CD1-CZ 3.78Å; F171-F175 HydrophobicContact CE1-CD2 4.23Å; F171-F175 HydrophobicContact CE1-CE1 4.17Å; F171-F175 AromaticContact CE1-CE2 3.05Å; F171-F175 HydrophobicContact CE1-CE2 3.05Å; F171-F175 AromaticContact CE1-CZ 3.02Å; F171-F175 HydrophobicContact CE1-CZ 3.02Å; F171-F175 HydrophobicContact CE2-CZ 4.5Å; F171-F175 HydrophobicContact CG-CE2 4.2Å; F171-F175 HydrophobicContact CZ-CE1 4.23Å; F171-F175 AromaticContact CZ-CE2 3.82Å; F171-F175 HydrophobicContact CZ-CE2 3.82Å; F171-F175 AromaticContact CZ-CZ 3.44Å; F171-F175 HydrophobicContact CZ-CZ 3.44Å; F171-F175 VanDerWaalsContact CZ-CZ 3.44Å; P172-F175 PolarHBondContact O-N 3.46Å; P173-F175 VanDerWaalsContact C-N 3.27Å; P173-F175 PolarHBondContact O-N 3.23Å |
| 176 | N | 65.1 | Low | 80.3 | Confident | 86 Ų | 86 | 55.7 Ų | 55.7 | 46% | 0.46 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -90.5 | 121.3 | 179.3 | -76.2 | -60.5 | 0 | 0 | 0 | 109.9 | P173 G178 T179 | P173-N176 PolarHBondContact O-N 3.36Å; N176-G178 PolarHBondContact O-N 3Å; N176-G178 VanDerWaalsContact O-N 3.1Å; N176-T179 HydrophobicContact CB-CG2 3.52Å; N176-T179 PolarHBondContact O-OG1 3.44Å |
| 177 | V | 56.1 | Low | 79.8 | Confident | 137 Ų | 137 | 55.8 Ų | 55.8 | 83% | 0.83 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 110.6 | 179.3 | -169.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 178 | G | 58.8 | Low | 79.5 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.8 | 24 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | N176 R194 | N176-G178 PolarHBondContact O-N 3Å; N176-G178 VanDerWaalsContact O-N 3.1Å; G178-R194 PolarHBondContact O-NH2 2.74Å |
| 179 | T | 71.4 | Confident | 79.3 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 14% | 0.135 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -92.8 | -40 | 172.5 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | P173 N176 F191 E192 | P173-T179 PolarHBondContact O-OG1 3.03Å; N176-T179 HydrophobicContact CB-CG2 3.52Å; N176-T179 PolarHBondContact O-OG1 3.44Å; T179-F191 HydrophobicContact CG2-CE2 3.97Å; T179-F191 CarbonylContact O-C 3.55Å; T179-F191 WeakPolarHBondContact O-CA 3.41Å; T179-E192 PolarHBondContact O-N 3.05Å |
| 180 | Y | 84 | Confident | 79.1 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 109.6 | 173.3 | -72 | -47.7 | 0 | 0 | 0 | 109.4 | A115 F116 V119 A170 P173 V174 F191 | A115-Y180 HydrophobicContact CB-CD1 3.45Å; A115-Y180 VanDerWaalsContact CB-CD1 3.45Å; A115-Y180 HydrophobicContact CB-CD2 4.45Å; A115-Y180 HydrophobicContact CB-CE1 4.03Å; A115-Y180 HydrophobicContact CB-CG 3.7Å; F116-Y180 HydrophobicContact CB-CE2 4.19Å; V119-Y180 HydrophobicContact CG2-CE1 4.02Å; A170-Y180 PolarHBondContact O-OH 3.34Å; P173-Y180 HydrophobicContact CB-CD2 4.23Å; P173-Y180 HydrophobicContact CB-CE1 4.1Å; P173-Y180 HydrophobicContact CB-CE2 3.61Å; V174-Y180 HydrophobicContact CG2-CD2 4.41Å; V174-Y180 HydrophobicContact CG2-CE2 3.8Å; Y180-F191 HydrophobicContact CD1-CB 4.31Å; Y180-F191 HydrophobicContact CE1-CB 4.16Å; Y180-F191 HydrophobicContact CE1-CD2 4.33Å |
| 181 | E | 84.3 | Confident | 78.5 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 163.1 | -178.7 | -63 | -159.3 | 161.5 | 0 | 0 | 110.8 | I183 C189 I190 | E181-I183 PolarHBondContact O-N 3.5Å; E181-C189 WeakPolarHBondContact O-CA 3.36Å; E181-I190 PolarHBondContact N-O 2.78Å; E181-I190 VanDerWaalsContact N-O 3.11Å; E181-I190 PolarHBondContact O-N 2.92Å |
| 182 | F | 87.1 | Confident | 78 | Confident | 44 Ų | 44 | 49.4 Ų | 49.4 | 19% | 0.193 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 117.4 | 176.1 | 176.9 | -110.1 | 0 | 0 | 0 | 109.6 | S97 S102 W104 R184 | S97-F182 WeakPolarHBondContact OG-CE2 3.49Å; S97-F182 WeakPolarHBondContact OG-CZ 3.47Å; S102-F182 WeakPolarHBondContact O-CE1 3.37Å; S102-F182 WeakPolarHBondContact O-CZ 3.42Å; W104-F182 HydrophobicContact CB-CB 4.3Å; W104-F182 HydrophobicContact CB-CD1 3.99Å; W104-F182 HydrophobicContact CB-CD2 3.99Å; W104-F182 HydrophobicContact CB-CE1 4.31Å; W104-F182 HydrophobicContact CB-CE2 4.34Å; W104-F182 HydrophobicContact CB-CG 3.82Å; W104-F182 HydrophobicContact CB-CZ 4.49Å; W104-F182 HydrophobicContact CD2-CD2 4.42Å; W104-F182 AromaticContact CE3-CD2 3.98Å; W104-F182 HydrophobicContact CE3-CD2 3.98Å; W104-F182 HydrophobicContact CE3-CE2 4.21Å; W104-F182 HydrophobicContact CG-CD2 4.46Å; W104-F182 HydrophobicContact CG-CG 4.5Å; F182-R184 HydrophobicContact CD1-CG 4.13Å; F182-R184 HydrophobicContact CE1-CG 3.64Å |
| 183 | I | 85.9 | Confident | 77.3 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 107.2 | 178.9 | -55.8 | -174.6 | 0 | 0 | 0 | 108.3 | E181 D185 E186 D187 Q188 I190 | E181-I183 PolarHBondContact O-N 3.5Å; I183-D185 HydrophobicContact CG2-CB 4.25Å; I183-D185 PolarHBondContact O-N 2.96Å; I183-E186 HydrophobicContact CB-CB 4.34Å; I183-E186 HydrophobicContact CB-CG 4.39Å; I183-E186 HydrophobicContact CG2-CB 4.28Å; I183-E186 HydrophobicContact CG2-CG 3.94Å; I183-E186 PolarHBondContact O-N 3.04Å; I183-D187 PolarHBondContact O-N 2.92Å; I183-D187 VanDerWaalsContact O-N 3.16Å; I183-Q188 PolarHBondContact N-O 2.74Å; I183-I190 HydrophobicContact CB-CG2 4.42Å; I183-I190 HydrophobicContact CD1-CG2 3.4Å; I183-I190 HydrophobicContact CG1-CG2 3.91Å |
| 184 | R | 84.6 | Confident | 76.7 | Confident | 153 Ų | 153 | 53.6 Ų | 53.6 | 58% | 0.577 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -56 | -33.2 | 179 | -79.1 | -171.3 | 158.3 | -162.7 | -5.2 | 113.4 | D103 F182 E186 | D103-R184 IonicContact OD1-CZ 3.9Å; D103-R184 IonicContact OD1-NE 3.5Å; D103-R184 IonicContact OD1-NH2 3.14Å; D103-R184 PolarHBondContact OD1-NH2 3.49Å; F182-R184 HydrophobicContact CD1-CG 4.13Å; F182-R184 HydrophobicContact CE1-CG 3.64Å; R184-E186 VanDerWaalsContact C-N 3.25Å; R184-E186 PolarHBondContact O-N 3.29Å |
| 185 | D | 82.3 | Confident | 75.8 | Confident | 83 Ų | 83 | 54.2 Ų | 54.2 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -70.9 | -21 | 179.2 | -67.2 | -55.1 | 0 | 0 | 0 | 113.8 | I183 H334 L337 | I183-D185 HydrophobicContact CG2-CB 4.25Å; I183-D185 PolarHBondContact O-N 2.96Å; D185-H334 IonicContact OD1-CE1 3.96Å; D185-H334 IonicContact OD1-ND1 3.76Å; D185-H334 PolarHBondContact OD1-ND1 2.94Å; D185-L337 HydrophobicContact CB-CD2 3.42Å; D185-L337 VanDerWaalsContact CB-CD2 3.42Å; D185-L337 WeakPolarHBondContact O-CD2 3.03Å |
| 186 | E | 82.9 | Confident | 75 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -108.5 | -1.7 | -178.6 | -59.8 | -173.8 | -141.9 | 0 | 0 | 113.4 | I183 R184 Q188 H193 Y317 R324 L337 V341 | I183-E186 HydrophobicContact CB-CB 4.34Å; I183-E186 HydrophobicContact CB-CG 4.39Å; I183-E186 HydrophobicContact CG2-CB 4.28Å; I183-E186 HydrophobicContact CG2-CG 3.94Å; I183-E186 PolarHBondContact O-N 3.04Å; R184-E186 VanDerWaalsContact C-N 3.25Å; R184-E186 PolarHBondContact O-N 3.29Å; E186-Q188 HydrophobicContact CB-CG 3.76Å; E186-Q188 PolarHBondContact O-N 2.9Å; E186-Q188 VanDerWaalsContact O-N 3.08Å; E186-Q188 PolarHBondContact OE2-NE2 3.28Å; E186-H193 IonicContact OE1-CE1 3.18Å; E186-Y317 PolarHBondContact OE2-OH 3Å; E186-R324 VanDerWaalsContact CD-NH2 3.34Å; E186-R324 IonicContact OE1-CZ 2.78Å; E186-R324 IonicContact OE1-NH1 3.3Å; E186-R324 PolarHBondContact OE1-NH1 2.9Å; E186-R324 IonicContact OE1-NH2 2.69Å; E186-R324 PolarHBondContact OE1-NH2 3.28Å; E186-L337 HydrophobicContact CG-CD2 3.77Å; E186-L337 HydrophobicContact CG-CG 4.47Å; E186-V341 HydrophobicContact CB-CG2 4.03Å; E186-V341 HydrophobicContact CG-CG2 3.83Å |
| 187 | D | 84.6 | Confident | 74.3 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 19.1 | -175.3 | -51.9 | -47.7 | 0 | 0 | 0 | 114.3 | K40 V98 S102 I183 | K40-D187 IonicContact NZ-OD1 2.71Å; K40-D187 IonicContact NZ-OD2 3.36Å; K40-D187 PolarHBondContact NZ-OD2 3.09Å; V98-D187 HydrophobicContact CG2-CB 3.69Å; S102-D187 WeakPolarHBondContact CB-OD1 3.45Å; S102-D187 PolarHBondContact OG-OD1 3.32Å; I183-D187 PolarHBondContact O-N 2.92Å; I183-D187 VanDerWaalsContact O-N 3.16Å |
| 188 | Q | 88.4 | Confident | 74.3 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 157.1 | -172.3 | 68.7 | -177.6 | -30.3 | 0 | 0 | 113.4 | V94 I183 E186 I190 | V94-Q188 HydrophobicContact CG2-CB 4.03Å; I183-Q188 PolarHBondContact N-O 2.74Å; E186-Q188 HydrophobicContact CB-CG 3.76Å; E186-Q188 PolarHBondContact O-N 2.9Å; E186-Q188 VanDerWaalsContact O-N 3.08Å; E186-Q188 PolarHBondContact OE2-NE2 3.28Å; Q188-I190 HydrophobicContact CG-CB 4.3Å; Q188-I190 HydrophobicContact CG-CG2 4.27Å |
| 189 | C | 86.1 | Confident | 74.4 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117 | 168.1 | -70.5 | 0 | 0 | 0 | 0 | 109.6 | W104 C111 A115 E181 | W104-C189 VanDerWaalsContact CE3-SG 3.58Å; C111-C189 WeakPolarHBondContact CA-SG 3.35Å; C111-C189 HydrophobicContact CB-CB 4.04Å; C111-C189 WeakPolarHBondContact CB-SG 3.21Å; C111-C189 VanDerWaalsContact O-CB 3.27Å; C111-C189 WeakPolarHBondContact O-CB 3.45Å; C111-C189 WeakPolarHBondContact SG-CB 3.41Å; C111-C189 CovalentContact SG-SG 2.03Å; C111-C189 PolarHBondContact SG-SG 3.4Å; A115-C189 WeakPolarHBondContact CA-O 3.43Å; A115-C189 HydrophobicContact CB-CB 4.08Å; A115-C189 WeakPolarHBondContact CB-O 3.41Å; E181-C189 WeakPolarHBondContact O-CA 3.36Å |
| 190 | I | 83.6 | Confident | 74.1 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 10% | 0.097 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 177.5 | -178.4 | -165.7 | 147.2 | 0 | 0 | 0 | 110.3 | E181 I183 Q188 E192 Y317 | E181-I190 PolarHBondContact N-O 2.78Å; E181-I190 VanDerWaalsContact N-O 3.11Å; E181-I190 PolarHBondContact O-N 2.92Å; I183-I190 HydrophobicContact CB-CG2 4.42Å; I183-I190 HydrophobicContact CD1-CG2 3.4Å; I183-I190 HydrophobicContact CG1-CG2 3.91Å; Q188-I190 HydrophobicContact CG-CB 4.3Å; Q188-I190 HydrophobicContact CG-CG2 4.27Å; I190-E192 PolarHBondContact O-N 3.28Å; I190-Y317 WeakPolarHBondContact CD1-OH 3.08Å |
| 191 | F | 77.1 | Confident | 73.3 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 123.7 | 175 | -172.5 | -92.9 | 0 | 0 | 0 | 110.5 | P173 T179 Y180 H193 T201 | P173-F191 HydrophobicContact CB-CD2 3.91Å; P173-F191 HydrophobicContact CB-CE2 3.96Å; P173-F191 HydrophobicContact CG-CD2 4.06Å; P173-F191 HydrophobicContact CG-CE2 4.06Å; T179-F191 HydrophobicContact CG2-CE2 3.97Å; T179-F191 CarbonylContact O-C 3.55Å; T179-F191 WeakPolarHBondContact O-CA 3.41Å; Y180-F191 HydrophobicContact CD1-CB 4.31Å; Y180-F191 HydrophobicContact CE1-CB 4.16Å; Y180-F191 HydrophobicContact CE1-CD2 4.33Å; F191-H193 PolarHBondContact O-N 3.47Å; F191-H193 PolarHBondContact O-ND1 3.38Å; F191-T201 HydrophobicContact CE1-CG2 3.35Å; F191-T201 HydrophobicContact CZ-CG2 3.34Å |
| 192 | E | 73 | Confident | 72.8 | Confident | 63 Ų | 63 | 60.8 Ų | 60.8 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | trans | -63.7 | 124 | 174.4 | -168.1 | -166.8 | -168.5 | 0 | 0 | 109 | T179 I190 R194 | T179-E192 PolarHBondContact O-N 3.05Å; I190-E192 PolarHBondContact O-N 3.28Å; E192-R194 PolarHBondContact O-N 2.83Å; E192-R194 IonicContact OE2-CZ 3.18Å; E192-R194 IonicContact OE2-NE 2.86Å; E192-R194 PolarHBondContact OE2-NE 3.41Å; E192-R194 IonicContact OE2-NH2 3.84Å; E192-R194 PolarHBondContact OE2-NH2 3.46Å | ||
| 193 | H | 67.4 | Low | 72.3 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 14% | 0.139 | 30% | 0.295 | C | S | . | . | trans | -76.4 | 71.7 | 178.6 | -64.9 | 73.5 | 0 | 0 | 0 | 109.4 | E186 F191 H195 C321 R324 | E186-H193 IonicContact OE1-CE1 3.18Å; F191-H193 PolarHBondContact O-N 3.47Å; F191-H193 PolarHBondContact O-ND1 3.38Å; H193-H195 PolarHBondContact O-N 2.91Å; H193-C321 WeakPolarHBondContact NE2-CB 3.4Å; H193-C321 PolarHBondContact NE2-SG 2.87Å; H193-R324 HydrophobicContact CB-CB 4.29Å | ||
| 194 | R | 62.2 | Low | 71.9 | Confident | 112 Ų | 112 | 61.5 Ų | 61.5 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | trans | -70.3 | 130.4 | -179.9 | -163.2 | 165.3 | -72.3 | -179.3 | 0.5 | 109.4 | G178 E192 T201 | G178-R194 PolarHBondContact O-NH2 2.74Å; E192-R194 PolarHBondContact O-N 2.83Å; E192-R194 IonicContact OE2-CZ 3.18Å; E192-R194 IonicContact OE2-NE 2.86Å; E192-R194 PolarHBondContact OE2-NE 3.41Å; E192-R194 IonicContact OE2-NH2 3.84Å; E192-R194 PolarHBondContact OE2-NH2 3.46Å; R194-T201 HydrophobicContact CB-CG2 4.17Å; R194-T201 PolarHBondContact O-OG1 2.89Å | ||
| 195 | H | 55.5 | Low | 71.6 | Confident | 78 Ų | 78 | 55.5 Ų | 55.5 | 36% | 0.361 | 28% | 0.278 | S | S | . | . | trans | -51.5 | 153.2 | 179.1 | -176.6 | -85.2 | 0 | 0 | 0 | 111.7 | H193 K197 Q328 | H193-H195 PolarHBondContact O-N 2.91Å; H195-K197 PolarHBondContact O-N 3.23Å; H195-Q328 VanDerWaalsContact NE2-CG 3.26Å; H195-Q328 WeakPolarHBondContact NE2-CG 3.3Å; H195-Q328 PolarHBondContact NE2-NE2 2.74Å; H195-Q328 VanDerWaalsContact NE2-NE2 3.14Å | ||
| 196 | L | 54.2 | Low | 71.6 | Confident | 84 Ų | 84 | 55.5 Ų | 55.5 | 44% | 0.44 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -29.9 | -8.3 | -178.8 | -135.9 | 79.4 | 0 | 0 | 0 | 120 | N198 V325 F326 | L196-N198 VanDerWaalsContact C-N 3.35Å; L196-V325 HydrophobicContact CD1-CG1 3.82Å; L196-F326 HydrophobicContact CD1-CD1 4.16Å; L196-F326 HydrophobicContact CD1-CE1 4.11Å |
| 197 | K | 51.6 | Low | 71.7 | Confident | 194 Ų | 194 | 57.5 Ų | 57.5 | 84% | 0.843 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -11.6 | -175.8 | -150.2 | 174.7 | -179 | -177.1 | 0 | 114 | H195 | H195-K197 PolarHBondContact O-N 3.23Š|
| 198 | N | 55.8 | Low | 71.8 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 42% | 0.422 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -119.6 | 115.7 | 169.2 | -94.7 | 63.1 | 0 | 0 | 0 | 109.8 | L196 D200 | L196-N198 VanDerWaalsContact C-N 3.35Å; N198-D200 PolarHBondContact ND2-OD2 3.01Å; N198-D200 PolarHBondContact O-N 3.01Å |
| 199 | N | 59.7 | Low | 71.8 | Confident | 139 Ų | 139 | 58.8 Ų | 58.8 | 74% | 0.743 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.7 | -15.5 | -178.2 | -73.8 | -14.1 | 0 | 0 | 0 | 114.4 | G203 | N199-G203 PolarHBondContact O-N 3.27Å |
| 200 | D | 64.8 | Low | 72 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.6 | -38.1 | -170 | -48.5 | -45.2 | 0 | 0 | 0 | 112.8 | N198 G203 F204 | N198-D200 PolarHBondContact ND2-OD2 3.01Å; N198-D200 PolarHBondContact O-N 3.01Å; D200-G203 PolarHBondContact O-N 3.37Å; D200-F204 WeakPolarHBondContact O-CD2 3.42Å; D200-F204 PolarHBondContact O-N 3.41Å |
| 201 | T | 68.6 | Low | 72.5 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.9 | -43.6 | -173.9 | 69.7 | 0 | 0 | 0 | 0 | 111.8 | F191 R194 G203 F204 M205 | F191-T201 HydrophobicContact CE1-CG2 3.35Å; F191-T201 HydrophobicContact CZ-CG2 3.34Å; R194-T201 HydrophobicContact CB-CG2 4.17Å; R194-T201 PolarHBondContact O-OG1 2.89Å; T201-G203 VanDerWaalsContact C-N 3.32Å; T201-G203 PolarHBondContact O-N 3.45Å; T201-F204 PolarHBondContact O-N 2.95Å; T201-M205 WeakPolarHBondContact O-CG 3.24Å; T201-M205 PolarHBondContact O-N 2.79Å |
| 202 | L | 72.9 | Confident | 73.1 | Confident | 43 Ų | 43 | 62 Ų | 62 | 23% | 0.225 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 177.3 | -177 | 69.5 | 0 | 0 | 0 | 110.9 | M205 L206 F322 V325 F326 | L202-M205 PolarHBondContact O-N 3.02Å; L202-L206 HydrophobicContact CD1-CD1 4.21Å; L202-L206 HydrophobicContact CD1-CG 4.24Å; L202-L206 HydrophobicContact CD2-CD1 4.26Å; L202-L206 HydrophobicContact CG-CD1 3.77Å; L202-L206 HydrophobicContact CG-CG 4.21Å; L202-L206 VanDerWaalsContact O-CB 3.29Å; L202-L206 WeakPolarHBondContact O-CB 3.25Å; L202-L206 VanDerWaalsContact O-CG 3.26Å; L202-L206 WeakPolarHBondContact O-CG 3.27Å; L202-L206 PolarHBondContact O-N 3.49Å; L202-F322 HydrophobicContact CD1-CE1 4.48Å; L202-V325 HydrophobicContact CD1-CG1 4.16Å; L202-F326 HydrophobicContact CD1-CE2 4.47Å; L202-F326 HydrophobicContact CD1-CZ 3.91Å |
| 203 | G | 77.1 | Confident | 73.9 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 38% | 0.381 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N199 D200 T201 M205 L206 M207 | N199-G203 PolarHBondContact O-N 3.27Å; D200-G203 PolarHBondContact O-N 3.37Å; T201-G203 VanDerWaalsContact C-N 3.32Å; T201-G203 PolarHBondContact O-N 3.45Å; G203-M205 PolarHBondContact O-N 3.18Å; G203-L206 PolarHBondContact O-N 3.23Å; G203-M207 WeakPolarHBondContact O-CB 3.39Å; G203-M207 PolarHBondContact O-N 2.91Å |
| 204 | F | 76.9 | Confident | 75.2 | Confident | 43 Ų | 43 | 65 Ų | 65 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 178.1 | -78.6 | -67.6 | 0 | 0 | 0 | 112.9 | F123 M169 P172 P173 D200 T201 M207 L208 | F123-F204 HydrophobicContact CZ-CD1 4.32Å; M169-F204 WeakPolarHBondContact O-CE1 3.45Å; P172-F204 HydrophobicContact CB-CE2 4.34Å; P172-F204 HydrophobicContact CB-CZ 3.72Å; P172-F204 HydrophobicContact CG-CE1 4.42Å; P172-F204 HydrophobicContact CG-CZ 3.79Å; P173-F204 HydrophobicContact CG-CE2 4.12Å; P173-F204 HydrophobicContact CG-CZ 4.3Å; D200-F204 WeakPolarHBondContact O-CD2 3.42Å; D200-F204 PolarHBondContact O-N 3.41Å; T201-F204 PolarHBondContact O-N 2.95Å; F204-M207 HydrophobicContact CD1-CE 3.97Å; F204-M207 HydrophobicContact CE1-CE 4.41Å; F204-M207 PolarHBondContact O-N 3.22Å; F204-L208 PolarHBondContact O-N 2.95Å |
| 205 | M | 78 | Confident | 76.7 | Confident | 28 Ų | 28 | 59.8 Ų | 59.8 | 14% | 0.138 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 179.7 | -70 | -61.7 | -54.7 | 0 | 0 | 112.2 | T201 L202 G203 M207 L208 A209 C321 F322 | T201-M205 WeakPolarHBondContact O-CG 3.24Å; T201-M205 PolarHBondContact O-N 2.79Å; L202-M205 PolarHBondContact O-N 3.02Å; G203-M205 PolarHBondContact O-N 3.18Å; M205-M207 VanDerWaalsContact C-N 3.32Å; M205-M207 PolarHBondContact O-N 3.01Å; M205-L208 PolarHBondContact O-N 3.44Å; M205-A209 PolarHBondContact O-N 3.36Å; M205-C321 HydrophobicContact CE-CB 3.11Å; M205-C321 HydrophobicContact SD-CB 4.02Å; M205-F322 HydrophobicContact CB-CE1 4.03Å; M205-F322 HydrophobicContact CB-CZ 4.03Å; M205-F322 HydrophobicContact CE-CE2 4.44Å |
| 206 | L | 83.1 | Confident | 78.3 | Confident | 82 Ų | 82 | 57.6 Ų | 57.6 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 176.3 | -77.2 | 174.7 | 0 | 0 | 0 | 111.3 | L202 G203 A209 V210 F322 | L202-L206 HydrophobicContact CD1-CD1 4.21Å; L202-L206 HydrophobicContact CD1-CG 4.24Å; L202-L206 HydrophobicContact CD2-CD1 4.26Å; L202-L206 HydrophobicContact CG-CD1 3.77Å; L202-L206 HydrophobicContact CG-CG 4.21Å; L202-L206 VanDerWaalsContact O-CB 3.29Å; L202-L206 WeakPolarHBondContact O-CB 3.25Å; L202-L206 VanDerWaalsContact O-CG 3.26Å; L202-L206 WeakPolarHBondContact O-CG 3.27Å; L202-L206 PolarHBondContact O-N 3.49Å; G203-L206 PolarHBondContact O-N 3.23Å; L206-A209 PolarHBondContact O-N 3.19Å; L206-V210 WeakPolarHBondContact O-CB 3.34Å; L206-V210 VanDerWaalsContact O-CG2 3.23Å; L206-V210 WeakPolarHBondContact O-CG2 3.34Å; L206-V210 PolarHBondContact O-N 3.22Å; L206-F322 HydrophobicContact CD2-CE1 4Å; L206-F322 HydrophobicContact CD2-CZ 4.12Å; L206-F322 HydrophobicContact CG-CE1 4.34Å |
| 207 | M | 85.7 | Confident | 80.2 | Confident | 44 Ų | 44 | 55.6 Ų | 55.6 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 178.7 | 179.5 | -177.3 | 78.4 | 0 | 0 | 112.3 | F123 M169 G203 F204 M205 A209 V210 V211 | F123-M207 HydrophobicContact CD1-CE 4.19Å; F123-M207 HydrophobicContact CE1-CE 3.38Å; F123-M207 HydrophobicContact CZ-CE 3.59Å; M169-M207 HydrophobicContact CB-CE 3.85Å; M169-M207 HydrophobicContact CE-CE 3.72Å; M169-M207 HydrophobicContact CE-CG 4.34Å; M169-M207 HydrophobicContact CE-SD 3.07Å; M169-M207 WeakPolarHBondContact CE-SD 3.25Å; M169-M207 HydrophobicContact CG-CE 3.47Å; M169-M207 VanDerWaalsContact CG-CE 3.47Å; M169-M207 HydrophobicContact CG-SD 4.18Å; M169-M207 HydrophobicContact SD-CE 3.3Å; M169-M207 WeakPolarHBondContact SD-CE 3.44Å; M169-M207 HydrophobicContact SD-SD 3.35Å; G203-M207 WeakPolarHBondContact O-CB 3.39Å; G203-M207 PolarHBondContact O-N 2.91Å; F204-M207 HydrophobicContact CD1-CE 3.97Å; F204-M207 HydrophobicContact CE1-CE 4.41Å; F204-M207 PolarHBondContact O-N 3.22Å; M205-M207 VanDerWaalsContact C-N 3.32Å; M205-M207 PolarHBondContact O-N 3.01Å; M207-A209 VanDerWaalsContact C-N 3.31Å; M207-A209 PolarHBondContact O-N 3.06Å; M207-V210 PolarHBondContact O-N 3.29Å; M207-V211 WeakPolarHBondContact O-CG2 3.44Å; M207-V211 PolarHBondContact O-N 2.73Å |
| 208 | L | 85.7 | Confident | 82.1 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 174.1 | -178 | 64.2 | 0 | 0 | 0 | 110.8 | F123 A126 F204 M205 V210 V211 V212 | F123-L208 HydrophobicContact CD1-CD1 4.13Å; F123-L208 HydrophobicContact CE1-CB 3.93Å; F123-L208 HydrophobicContact CE1-CD1 3.97Å; F123-L208 HydrophobicContact CE1-CG 4.49Å; F123-L208 HydrophobicContact CZ-CB 4.34Å; A126-L208 HydrophobicContact CB-CD1 3.96Å; F204-L208 PolarHBondContact O-N 2.95Å; M205-L208 PolarHBondContact O-N 3.44Å; L208-V210 PolarHBondContact O-N 3.43Å; L208-V211 PolarHBondContact O-N 3.29Å; L208-V212 VanDerWaalsContact O-CG2 3.32Å; L208-V212 WeakPolarHBondContact O-CG2 3.49Å; L208-V212 PolarHBondContact O-N 3.02Å |
| 209 | A | 88.8 | Confident | 83.8 | Confident | 19 Ų | 19 | 45.7 Ų | 45.7 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | M205 L206 M207 V212 L213 F322 | M205-A209 PolarHBondContact O-N 3.36Å; L206-A209 PolarHBondContact O-N 3.19Å; M207-A209 VanDerWaalsContact C-N 3.31Å; M207-A209 PolarHBondContact O-N 3.06Å; A209-V212 PolarHBondContact O-N 3.4Å; A209-L213 WeakPolarHBondContact O-CB 3.45Å; A209-L213 WeakPolarHBondContact O-CG 3.48Å; A209-L213 PolarHBondContact O-N 3.41Å; A209-F322 HydrophobicContact CB-CE2 4.09Å; A209-F322 HydrophobicContact CB-CZ 4.14Å |
| 210 | V | 91.3 | Very high | 85.3 | Confident | 92 Ų | 92 | 41.4 Ų | 41.4 | 56% | 0.558 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -61.8 | -45 | 177.4 | 167.6 | 0 | 0 | 0 | 0 | 111.3 | L206 M207 L208 V212 L213 A214 | L206-V210 WeakPolarHBondContact O-CB 3.34Å; L206-V210 VanDerWaalsContact O-CG2 3.23Å; L206-V210 WeakPolarHBondContact O-CG2 3.34Å; L206-V210 PolarHBondContact O-N 3.22Å; M207-V210 PolarHBondContact O-N 3.29Å; L208-V210 PolarHBondContact O-N 3.43Å; V210-V212 PolarHBondContact O-N 2.74Å; V210-L213 PolarHBondContact O-N 3.04Å; V210-A214 WeakPolarHBondContact O-CB 3.3Å; V210-A214 PolarHBondContact O-N 3.45Å |
| 211 | V | 92.2 | Very high | 86.5 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 178.2 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | A126 F127 F130 M207 L208 A214 T215 | A126-V211 HydrophobicContact CB-CG1 4.07Å; F127-V211 HydrophobicContact CD1-CG1 3.95Å; F127-V211 HydrophobicContact CD1-CG2 4.21Å; F127-V211 HydrophobicContact CE1-CG1 4.18Å; F127-V211 HydrophobicContact CE1-CG2 3.59Å; F127-V211 HydrophobicContact CZ-CG2 4.38Å; F130-V211 HydrophobicContact CB-CG1 4.45Å; M207-V211 WeakPolarHBondContact O-CG2 3.44Å; M207-V211 PolarHBondContact O-N 2.73Å; L208-V211 PolarHBondContact O-N 3.29Å; V211-A214 PolarHBondContact O-N 3.37Å; V211-T215 WeakPolarHBondContact O-CB 3.37Å; V211-T215 PolarHBondContact O-N 3.32Å; V211-T215 PolarHBondContact O-OG1 3.09Å |
| 212 | V | 90.3 | Very high | 87.6 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 5% | 0.048 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.7 | -48.5 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | L208 A209 V210 A214 T215 H216 F310 L311 | L208-V212 VanDerWaalsContact O-CG2 3.32Å; L208-V212 WeakPolarHBondContact O-CG2 3.49Å; L208-V212 PolarHBondContact O-N 3.02Å; A209-V212 PolarHBondContact O-N 3.4Å; V210-V212 PolarHBondContact O-N 2.74Å; V212-A214 PolarHBondContact O-N 3.2Å; V212-T215 WeakPolarHBondContact O-CB 3.34Å; V212-T215 PolarHBondContact O-N 3.27Å; V212-H216 PolarHBondContact O-N 3.26Å; V212-H216 VanDerWaalsContact O-N 3.11Å; V212-H216 PolarHBondContact O-ND1 3.04Å; V212-F310 HydrophobicContact CG2-CE1 3.96Å; V212-L311 HydrophobicContact CG1-CD1 3.65Å |
| 213 | L | 91.1 | Very high | 88.3 | Confident | 118 Ų | 118 | 43.5 Ų | 43.5 | 62% | 0.618 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 178.6 | -70.6 | 173.7 | 0 | 0 | 0 | 111.9 | A209 V210 T215 H216 G217 | A209-L213 WeakPolarHBondContact O-CB 3.45Å; A209-L213 WeakPolarHBondContact O-CG 3.48Å; A209-L213 PolarHBondContact O-N 3.41Å; V210-L213 PolarHBondContact O-N 3.04Å; L213-T215 VanDerWaalsContact C-N 3.32Å; L213-T215 PolarHBondContact O-N 2.96Å; L213-H216 PolarHBondContact O-N 3.1Å; L213-G217 PolarHBondContact O-N 3.12Å |
| 214 | A | 93.3 | Very high | 88.9 | Confident | 38 Ų | 38 | 47 Ų | 47 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F130 V210 V211 V212 H216 G217 F218 | F130-A214 HydrophobicContact CD2-CB 4.41Å; F130-A214 HydrophobicContact CE2-CB 4.09Å; V210-A214 WeakPolarHBondContact O-CB 3.3Å; V210-A214 PolarHBondContact O-N 3.45Å; V211-A214 PolarHBondContact O-N 3.37Å; V212-A214 PolarHBondContact O-N 3.2Å; A214-H216 VanDerWaalsContact C-N 3.33Å; A214-H216 PolarHBondContact O-N 3.33Å; A214-G217 PolarHBondContact O-N 3.11Å; A214-G217 VanDerWaalsContact O-N 3.16Å; A214-F218 WeakPolarHBondContact O-CD2 3.12Å; A214-F218 PolarHBondContact O-N 3.03Å |
| 215 | T | 93.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 176.1 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | L129 F130 A133 V211 V212 L213 F218 Y219 T307 | L129-T215 HydrophobicContact CB-CG2 4.46Å; F130-T215 WeakPolarHBondContact CA-OG1 3.4Å; F130-T215 WeakPolarHBondContact CB-OG1 3.44Å; A133-T215 HydrophobicContact CB-CG2 3.95Å; V211-T215 WeakPolarHBondContact O-CB 3.37Å; V211-T215 PolarHBondContact O-N 3.32Å; V211-T215 PolarHBondContact O-OG1 3.09Å; V212-T215 WeakPolarHBondContact O-CB 3.34Å; V212-T215 PolarHBondContact O-N 3.27Å; L213-T215 VanDerWaalsContact C-N 3.32Å; L213-T215 PolarHBondContact O-N 2.96Å; T215-F218 PolarHBondContact O-N 3.2Å; T215-Y219 HydrophobicContact CG2-CD2 4.1Å; T215-Y219 HydrophobicContact CG2-CE2 3.97Å; T215-Y219 WeakPolarHBondContact O-CD2 3.29Å; T215-Y219 PolarHBondContact O-N 3.47Å; T215-Y219 VanDerWaalsContact O-N 3.1Å; T215-T307 HydrophobicContact CG2-CG2 3.65Å |
| 216 | H | 90.8 | Very high | 89.8 | Confident | 32 Ų | 32 | 46 Ų | 46 | 15% | 0.148 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.8 | -35.5 | 177.4 | -70.5 | 76.5 | 0 | 0 | 0 | 112.1 | V212 L213 A214 Y219 A220 L311 | V212-H216 PolarHBondContact O-N 3.26Å; V212-H216 VanDerWaalsContact O-N 3.11Å; V212-H216 PolarHBondContact O-ND1 3.04Å; L213-H216 PolarHBondContact O-N 3.1Å; A214-H216 VanDerWaalsContact C-N 3.33Å; A214-H216 PolarHBondContact O-N 3.33Å; H216-Y219 PolarHBondContact O-N 3.09Å; H216-A220 WeakPolarHBondContact O-CB 3.4Å; H216-A220 PolarHBondContact O-N 3.25Å; H216-L311 WeakPolarHBondContact NE2-CB 3.26Å; H216-L311 WeakPolarHBondContact NE2-CD2 3.38Å |
| 217 | G | 92.5 | Very high | 89.9 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L213 A214 A220 K221 | L213-G217 PolarHBondContact O-N 3.12Å; A214-G217 PolarHBondContact O-N 3.11Å; A214-G217 VanDerWaalsContact O-N 3.16Å; G217-A220 PolarHBondContact O-N 2.92Å; G217-K221 WeakPolarHBondContact O-CB 3.49Å; G217-K221 PolarHBondContact O-N 3.21Å |
| 218 | F | 92.4 | Very high | 89.9 | Confident | 64 Ų | 64 | 54.7 Ų | 54.7 | 28% | 0.281 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 174.4 | -90.8 | -83.7 | 0 | 0 | 0 | 112.4 | F130 A133 V134 A214 T215 K221 L222 | F130-F218 HydrophobicContact CD2-CD2 4.41Å; F130-F218 AromaticContact CE2-CD2 3.56Å; F130-F218 HydrophobicContact CE2-CD2 3.56Å; F130-F218 AromaticContact CE2-CE2 3.56Å; F130-F218 HydrophobicContact CE2-CE2 3.56Å; F130-F218 HydrophobicContact CZ-CD2 4.2Å; F130-F218 AromaticContact CZ-CE2 3.76Å; F130-F218 HydrophobicContact CZ-CE2 3.76Å; F130-F218 HydrophobicContact CZ-CZ 4.47Å; A133-F218 HydrophobicContact CB-CB 4.21Å; V134-F218 HydrophobicContact CG2-CD1 4.15Å; V134-F218 HydrophobicContact CG2-CD2 4.48Å; V134-F218 HydrophobicContact CG2-CE1 4.06Å; V134-F218 HydrophobicContact CG2-CE2 4.41Å; V134-F218 HydrophobicContact CG2-CG 4.36Å; V134-F218 HydrophobicContact CG2-CZ 4.19Å; A214-F218 WeakPolarHBondContact O-CD2 3.12Å; A214-F218 PolarHBondContact O-N 3.03Å; T215-F218 PolarHBondContact O-N 3.2Å; F218-K221 WeakPolarHBondContact O-CB 3.39Å; F218-K221 PolarHBondContact O-N 3.45Å; F218-L222 PolarHBondContact O-N 3.35Å |
| 219 | Y | 90.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 174.6 | -82.1 | -64.5 | 0 | 0 | 0 | 112.7 | A133 T215 H216 K221 L222 L223 F303 Y304 T307 | A133-Y219 HydrophobicContact CB-CD2 3.75Å; A133-Y219 HydrophobicContact CB-CE1 4.27Å; A133-Y219 HydrophobicContact CB-CE2 3.36Å; A133-Y219 HydrophobicContact CB-CG 4.35Å; T215-Y219 HydrophobicContact CG2-CD2 4.1Å; T215-Y219 HydrophobicContact CG2-CE2 3.97Å; T215-Y219 WeakPolarHBondContact O-CD2 3.29Å; T215-Y219 PolarHBondContact O-N 3.47Å; T215-Y219 VanDerWaalsContact O-N 3.1Å; H216-Y219 PolarHBondContact O-N 3.09Å; Y219-K221 VanDerWaalsContact C-N 3.32Å; Y219-K221 PolarHBondContact O-N 3.34Å; Y219-L222 HydrophobicContact CD1-CD2 4.24Å; Y219-L222 WeakPolarHBondContact O-CB 3.2Å; Y219-L222 PolarHBondContact O-N 2.86Å; Y219-L222 VanDerWaalsContact O-N 3.13Å; Y219-L223 WeakPolarHBondContact O-CG 3.14Å; Y219-L223 PolarHBondContact O-N 2.93Å; Y219-F303 PolarHBondContact OH-O 3.47Å; Y219-Y304 AromaticContact CD1-CD2 3.7Å; Y219-Y304 HydrophobicContact CD1-CD2 3.7Å; Y219-Y304 HydrophobicContact CD1-CG 4.23Å; Y219-Y304 HydrophobicContact CD2-CD2 4.14Å; Y219-Y304 HydrophobicContact CE1-CD2 4.35Å; Y219-Y304 AromaticContact CG-CD2 3.58Å; Y219-Y304 HydrophobicContact CG-CD2 3.58Å; Y219-Y304 HydrophobicContact CG-CE2 4.28Å; Y219-T307 HydrophobicContact CD2-CG2 4.08Å; Y219-T307 HydrophobicContact CE2-CG2 3.67Å; Y219-T307 VanDerWaalsContact CE2-OG1 3.27Å; Y219-T307 WeakPolarHBondContact CE2-OG1 3.38Å; Y219-T307 PolarHBondContact OH-OG1 3.38Å |
| 220 | A | 91 | Very high | 89 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 40% | 0.397 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | H216 G217 L222 L223 L224 | H216-A220 WeakPolarHBondContact O-CB 3.4Å; H216-A220 PolarHBondContact O-N 3.25Å; G217-A220 PolarHBondContact O-N 2.92Å; A220-L222 VanDerWaalsContact C-N 3.31Å; A220-L222 PolarHBondContact O-N 2.84Å; A220-L223 PolarHBondContact O-N 3.35Å; A220-L224 WeakPolarHBondContact O-CB 3.23Å; A220-L224 VanDerWaalsContact O-CG 3.26Å; A220-L224 WeakPolarHBondContact O-CG 3.2Å; A220-L224 PolarHBondContact O-N 3.26Å |
| 221 | K | 91.9 | Very high | 87.8 | Confident | 108 Ų | 108 | 66.8 Ų | 66.8 | 47% | 0.47 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.1 | -42 | 173.6 | -172.5 | -175.7 | -179.1 | -178.2 | 0 | 112 | Y137 G217 F218 Y219 F225 | Y137-K221 HydrophobicContact CE2-CD 3.95Å; Y137-K221 HydrophobicContact CE2-CG 4.05Å; Y137-K221 WeakPolarHBondContact OH-CE 3.32Å; Y137-K221 PolarHBondContact OH-NZ 2.89Å; G217-K221 WeakPolarHBondContact O-CB 3.49Å; G217-K221 PolarHBondContact O-N 3.21Å; F218-K221 WeakPolarHBondContact O-CB 3.39Å; F218-K221 PolarHBondContact O-N 3.45Å; Y219-K221 VanDerWaalsContact C-N 3.32Å; Y219-K221 PolarHBondContact O-N 3.34Å; K221-F225 WeakPolarHBondContact O-CB 3.26Å; K221-F225 PolarHBondContact O-N 3.43Å |
| 222 | L | 90 | Very high | 86.3 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 176.1 | 176.1 | 57.5 | 0 | 0 | 0 | 112.3 | R136 Y137 I140 F218 Y219 A220 F225 E226 | R136-L222 HydrophobicContact CB-CD2 4.17Å; Y137-L222 HydrophobicContact CD2-CB 4.27Å; Y137-L222 HydrophobicContact CD2-CD1 4.36Å; I140-L222 HydrophobicContact CB-CD1 3.89Å; I140-L222 HydrophobicContact CD1-CD1 3.81Å; I140-L222 HydrophobicContact CD1-CD2 4.17Å; I140-L222 HydrophobicContact CD1-CG 4.44Å; I140-L222 HydrophobicContact CG1-CD1 4.43Å; I140-L222 HydrophobicContact CG2-CD1 3.94Å; F218-L222 PolarHBondContact O-N 3.35Å; Y219-L222 HydrophobicContact CD1-CD2 4.24Å; Y219-L222 WeakPolarHBondContact O-CB 3.2Å; Y219-L222 PolarHBondContact O-N 2.86Å; Y219-L222 VanDerWaalsContact O-N 3.13Å; A220-L222 VanDerWaalsContact C-N 3.31Å; A220-L222 PolarHBondContact O-N 2.84Å; L222-F225 WeakPolarHBondContact O-CB 3.29Å; L222-F225 PolarHBondContact O-N 3.38Å; L222-E226 PolarHBondContact O-N 3.49Å |
| 223 | L | 88.2 | Confident | 84.5 | Confident | 66 Ų | 66 | 80.1 Ų | 80.1 | 35% | 0.346 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 179.2 | -68.8 | 173.7 | 0 | 0 | 0 | 111.6 | Y219 A220 F225 E226 Y227 Y304 | Y219-L223 WeakPolarHBondContact O-CG 3.14Å; Y219-L223 PolarHBondContact O-N 2.93Å; A220-L223 PolarHBondContact O-N 3.35Å; L223-F225 VanDerWaalsContact C-N 3.33Å; L223-E226 PolarHBondContact O-N 3.48Å; L223-Y227 WeakPolarHBondContact O-CB 3.49Å; L223-Y227 PolarHBondContact O-N 2.99Å; L223-Y304 HydrophobicContact CD1-CD1 4.49Å; L223-Y304 HydrophobicContact CD1-CE1 3.98Å; L223-Y304 HydrophobicContact CD1-CE2 4.06Å |
| 224 | L | 89.4 | Confident | 83 | Confident | 110 Ų | 110 | 80.3 Ų | 80.3 | 58% | 0.576 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.9 | -40.7 | 173 | -70.5 | 173.8 | 0 | 0 | 0 | 111.5 | A220 Y227 R228 | A220-L224 WeakPolarHBondContact O-CB 3.23Å; A220-L224 VanDerWaalsContact O-CG 3.26Å; A220-L224 WeakPolarHBondContact O-CG 3.2Å; A220-L224 PolarHBondContact O-N 3.26Å; L224-Y227 PolarHBondContact O-N 2.97Å; L224-R228 WeakPolarHBondContact O-CB 3.38Å; L224-R228 WeakPolarHBondContact O-CG 3.49Å; L224-R228 PolarHBondContact O-N 2.97Å |
| 225 | F | 88.2 | Confident | 81.2 | Confident | 34 Ų | 34 | 84.3 Ų | 84.3 | 15% | 0.149 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 173.5 | 178.5 | -91.8 | 0 | 0 | 0 | 111.2 | I140 A141 K221 L222 L223 Y227 R228 H229 | I140-F225 HydrophobicContact CG2-CD1 4.04Å; I140-F225 HydrophobicContact CG2-CE1 3.94Å; A141-F225 HydrophobicContact CB-CD1 4.31Å; A141-F225 HydrophobicContact CB-CD2 4.38Å; A141-F225 HydrophobicContact CB-CE1 4Å; A141-F225 HydrophobicContact CB-CE2 4.07Å; A141-F225 HydrophobicContact CB-CG 4.49Å; A141-F225 HydrophobicContact CB-CZ 3.87Å; K221-F225 WeakPolarHBondContact O-CB 3.26Å; K221-F225 PolarHBondContact O-N 3.43Å; L222-F225 WeakPolarHBondContact O-CB 3.29Å; L222-F225 PolarHBondContact O-N 3.38Å; L223-F225 VanDerWaalsContact C-N 3.33Å; F225-Y227 PolarHBondContact O-N 3.07Å; F225-R228 PolarHBondContact O-N 3.44Å; F225-H229 AromaticContact CD2-CD2 3.82Å; F225-H229 AromaticContact CD2-NE2 3.9Å; F225-H229 AromaticContact CE1-CD2 3.69Å; F225-H229 AromaticContact CE1-NE2 3.9Å; F225-H229 AromaticContact CE2-CD2 3.47Å; F225-H229 VanDerWaalsContact CE2-CD2 3.47Å; F225-H229 WeakPolarHBondContact CE2-CD2 3.34Å; F225-H229 AromaticContact CE2-NE2 3.13Å; F225-H229 WeakPolarHBondContact CE2-NE2 3.19Å; F225-H229 AromaticContact CZ-CD2 3.4Å; F225-H229 WeakPolarHBondContact CZ-CD2 3.36Å; F225-H229 AromaticContact CZ-CE1 3.62Å; F225-H229 AromaticContact CZ-NE2 3.12Å; F225-H229 WeakPolarHBondContact CZ-NE2 3.5Å; F225-H229 WeakPolarHBondContact O-CB 3.22Å; F225-H229 PolarHBondContact O-CD2 3.37Å; F225-H229 VanDerWaalsContact O-CD2 3.29Å; F225-H229 PolarHBondContact O-N 3.43Å |
| 226 | E | 86.3 | Confident | 79.1 | Confident | 17 Ų | 17 | 92.6 Ų | 92.6 | 8% | 0.079 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 177.7 | -170 | 179.4 | 163.6 | 0 | 0 | 111.8 | L222 L223 R228 H229 R230 | L222-E226 PolarHBondContact O-N 3.49Å; L223-E226 PolarHBondContact O-N 3.48Å; E226-R228 PolarHBondContact O-N 3.2Å; E226-H229 PolarHBondContact O-N 3.27Å; E226-R230 WeakPolarHBondContact O-CG 3.38Å; E226-R230 PolarHBondContact O-N 2.93Å; E226-R230 IonicContact OE1-CZ 3.4Å; E226-R230 IonicContact OE1-NE 3.12Å; E226-R230 PolarHBondContact OE1-NE 2.99Å; E226-R230 VanDerWaalsContact OE1-NE 3.12Å; E226-R230 IonicContact OE1-NH2 2.78Å; E226-R230 PolarHBondContact OE1-NH2 3.34Å |
| 227 | Y | 85.4 | Confident | 77.4 | Confident | 139 Ų | 139 | 96 Ų | 96 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 177.6 | 178.8 | -98.4 | 0 | 0 | 0 | 111.9 | L223 L224 F225 H229 R230 K231 | L223-Y227 WeakPolarHBondContact O-CB 3.49Å; L223-Y227 PolarHBondContact O-N 2.99Å; L224-Y227 PolarHBondContact O-N 2.97Å; F225-Y227 PolarHBondContact O-N 3.07Å; Y227-H229 VanDerWaalsContact C-N 3.35Å; Y227-H229 PolarHBondContact O-N 3.29Å; Y227-R230 PolarHBondContact O-N 3.37Å; Y227-K231 VanDerWaalsContact CZ-CE 3.46Å; Y227-K231 WeakPolarHBondContact OH-CE 3.29Å; Y227-K231 PolarHBondContact OH-NZ 3.48Å |
| 228 | R | 84.6 | Confident | 75.5 | Confident | 169 Ų | 169 | 99.4 Ų | 99.4 | 64% | 0.638 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | 175.2 | -71.3 | -167.4 | -52.9 | 163.9 | 5.7 | 111.8 | L224 F225 E226 R230 K231 | L224-R228 WeakPolarHBondContact O-CB 3.38Å; L224-R228 WeakPolarHBondContact O-CG 3.49Å; L224-R228 PolarHBondContact O-N 2.97Å; F225-R228 PolarHBondContact O-N 3.44Å; E226-R228 PolarHBondContact O-N 3.2Å; R228-R230 PolarHBondContact O-N 2.99Å; R228-K231 PolarHBondContact O-N 2.98Å |
| 229 | H | 80 | Confident | 73.6 | Confident | 74 Ų | 74 | 101 Ų | 101 | 34% | 0.343 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.8 | -28.4 | 179.9 | -87.8 | -103.2 | 0 | 0 | 0 | 113.8 | F225 E226 Y227 K231 M232 | F225-H229 AromaticContact CD2-CD2 3.82Å; F225-H229 AromaticContact CD2-NE2 3.9Å; F225-H229 AromaticContact CE1-CD2 3.69Å; F225-H229 AromaticContact CE1-NE2 3.9Å; F225-H229 AromaticContact CE2-CD2 3.47Å; F225-H229 VanDerWaalsContact CE2-CD2 3.47Å; F225-H229 WeakPolarHBondContact CE2-CD2 3.34Å; F225-H229 AromaticContact CE2-NE2 3.13Å; F225-H229 WeakPolarHBondContact CE2-NE2 3.19Å; F225-H229 AromaticContact CZ-CD2 3.4Å; F225-H229 WeakPolarHBondContact CZ-CD2 3.36Å; F225-H229 AromaticContact CZ-CE1 3.62Å; F225-H229 AromaticContact CZ-NE2 3.12Å; F225-H229 WeakPolarHBondContact CZ-NE2 3.5Å; F225-H229 WeakPolarHBondContact O-CB 3.22Å; F225-H229 PolarHBondContact O-CD2 3.37Å; F225-H229 VanDerWaalsContact O-CD2 3.29Å; F225-H229 PolarHBondContact O-N 3.43Å; E226-H229 PolarHBondContact O-N 3.27Å; Y227-H229 VanDerWaalsContact C-N 3.35Å; Y227-H229 PolarHBondContact O-N 3.29Å; H229-K231 VanDerWaalsContact C-N 3.28Å; H229-K231 PolarHBondContact O-N 3.04Å; H229-M232 HydrophobicContact CB-CE 3.93Å; H229-M232 WeakPolarHBondContact CE1-CE 3.41Å; H229-M232 VanDerWaalsContact CG-CE 3.48Å; H229-M232 WeakPolarHBondContact ND1-CE 3.48Å; H229-M232 PolarHBondContact O-N 3.41Å |
| 230 | R | 77 | Confident | 71.6 | Confident | 163 Ų | 163 | 106.1 Ų | 106.1 | 62% | 0.615 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.3 | -24.5 | 174.5 | -77.7 | -176.9 | -178 | -122.6 | 5.1 | 113.6 | E226 Y227 R228 M232 | E226-R230 WeakPolarHBondContact O-CG 3.38Å; E226-R230 PolarHBondContact O-N 2.93Å; E226-R230 IonicContact OE1-CZ 3.4Å; E226-R230 IonicContact OE1-NE 3.12Å; E226-R230 PolarHBondContact OE1-NE 2.99Å; E226-R230 VanDerWaalsContact OE1-NE 3.12Å; E226-R230 IonicContact OE1-NH2 2.78Å; E226-R230 PolarHBondContact OE1-NH2 3.34Å; Y227-R230 PolarHBondContact O-N 3.37Å; R228-R230 PolarHBondContact O-N 2.99Å; R230-M232 PolarHBondContact O-N 2.94Å |
| 231 | K | 65.2 | Low | 69.7 | Low | 144 Ų | 144 | 110.4 Ų | 110.4 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -9.6 | 176 | -68.7 | -165.7 | 178.3 | -175.6 | 0 | 113.6 | Y227 R228 H229 K233 | Y227-K231 VanDerWaalsContact CZ-CE 3.46Å; Y227-K231 WeakPolarHBondContact OH-CE 3.29Å; Y227-K231 PolarHBondContact OH-NZ 3.48Å; R228-K231 PolarHBondContact O-N 2.98Å; H229-K231 VanDerWaalsContact C-N 3.28Å; H229-K231 PolarHBondContact O-N 3.04Å; K231-K233 PolarHBondContact O-N 2.89Å |
| 232 | M | 61 | Low | 67.6 | Low | 113 Ų | 113 | 108 Ų | 108 | 56% | 0.557 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -76.8 | 121.3 | 174.4 | -63.3 | -166.3 | -74.2 | 0 | 0 | 109.8 | H229 R230 | H229-M232 HydrophobicContact CB-CE 3.93Å; H229-M232 WeakPolarHBondContact CE1-CE 3.41Å; H229-M232 VanDerWaalsContact CG-CE 3.48Å; H229-M232 WeakPolarHBondContact ND1-CE 3.48Å; H229-M232 PolarHBondContact O-N 3.41Å; R230-M232 PolarHBondContact O-N 2.94Å |
| 233 | K | 52.4 | Low | 65.8 | Low | 193 Ų | 193 | 116.1 Ų | 116.1 | 84% | 0.839 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.4 | 172.6 | -65.4 | -176.7 | 179.5 | -176.5 | 0 | 108.8 | K231 V235 | K231-K233 PolarHBondContact O-N 2.89Å; K233-V235 PolarHBondContact O-N 3.47Å |
| 234 | P | 58.7 | Low | 63.9 | Low | 122 Ų | 122 | 120 Ų | 120 | 79% | 0.792 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 134.6 | 175.2 | 23.9 | -31.9 | 0 | 0 | 0 | 109.1 | Q236 | P234-Q236 PolarHBondContact O-N 3.46Š|
| 235 | V | 57.1 | Low | 61.9 | Low | 122 Ų | 122 | 125.5 Ų | 125.5 | 74% | 0.739 | 62% | 0.623 | S | S | * | * | trans | -57.7 | 112.2 | 177.9 | 176 | 0 | 0 | 0 | 0 | 107.9 | K233 L237 | K233-V235 PolarHBondContact O-N 3.47Å; V235-L237 HydrophobicContact CG1-CD1 4.11Å; V235-L237 HydrophobicContact CG1-CG 4.41Å; V235-L237 PolarHBondContact O-N 2.81Å; V235-L237 VanDerWaalsContact O-N 3.13Å | ||
| 236 | Q | 48.7 | Very low | 59.9 | Low | 177 Ų | 177 | 128.4 Ų | 128.4 | 83% | 0.827 | 64% | 0.644 | S | S | * | * | trans | -78.6 | 97.3 | 175.2 | -161.6 | 163.2 | 3.3 | 0 | 0 | 106.7 | P234 V238 | P234-Q236 PolarHBondContact O-N 3.46Å; Q236-V238 VanDerWaalsContact C-N 3.3Å; Q236-V238 PolarHBondContact O-N 3.3Å | ||
| 237 | L | 55.2 | Low | 57.8 | Low | 105 Ų | 105 | 134.2 Ų | 134.2 | 55% | 0.55 | 67% | 0.669 | S | S | . | * | trans | -72.3 | 93.2 | 172.8 | -75.9 | 96.5 | 0 | 0 | 0 | 108.1 | V235 R286 | V235-L237 HydrophobicContact CG1-CD1 4.11Å; V235-L237 HydrophobicContact CG1-CG 4.41Å; V235-L237 PolarHBondContact O-N 2.81Å; V235-L237 VanDerWaalsContact O-N 3.13Å; L237-R286 VanDerWaalsContact CD2-NH2 3.31Å | ||
| 238 | V | 51.6 | Low | 55.6 | Low | 113 Ų | 113 | 135.4 Ų | 135.4 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | trans | -64.7 | 124.6 | 159.7 | -175.4 | 0 | 0 | 0 | 0 | 105.9 | Q236 A240 | Q236-V238 VanDerWaalsContact C-N 3.3Å; Q236-V238 PolarHBondContact O-N 3.3Å; V238-A240 PolarHBondContact O-N 3.1Å | ||
| 239 | P | 53.3 | Low | 53.8 | Low | 96 Ų | 96 | 128.8 Ų | 128.8 | 62% | 0.623 | 66% | 0.664 | S | S | * | * | trans | -55.1 | 138.2 | 173.9 | 23.2 | -31.7 | 0 | 0 | 0 | 108.4 | I241 | P239-I241 VanDerWaalsContact C-N 3.27Å; P239-I241 PolarHBondContact O-N 3.34Å | ||
| 240 | A | 48.3 | Very low | 52 | Low | 109 Ų | 109 | 132.6 Ų | 132.6 | 90% | 0.901 | 70% | 0.695 | S | S | * | * | trans | -65.3 | 92.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | V238 S242 | V238-A240 PolarHBondContact O-N 3.1Å; A240-S242 PolarHBondContact O-N 3.1Å | ||
| 241 | I | 50.8 | Low | 50.6 | Low | 138 Ų | 138 | 126.4 Ų | 126.4 | 71% | 0.708 | 68% | 0.682 | S | S | * | * | trans | -80.9 | 97.3 | 169.3 | -61.8 | 169 | 0 | 0 | 0 | 104.9 | P239 Q243 | P239-I241 VanDerWaalsContact C-N 3.27Å; P239-I241 PolarHBondContact O-N 3.34Å; I241-Q243 PolarHBondContact O-N 3.24Å | ||
| 242 | S | 48.3 | Very low | 49.7 | Very low | 59 Ų | 59 | 121.8 Ų | 121.8 | 41% | 0.413 | 67% | 0.671 | S | S | . | * | trans | -69.4 | 127 | 164.6 | 112.6 | 0 | 0 | 0 | 0 | 107 | A240 N244 W245 | A240-S242 PolarHBondContact O-N 3.1Å; S242-N244 PolarHBondContact O-N 3.05Å; S242-N244 PolarHBondContact OG-N 3.41Å; S242-W245 WeakPolarHBondContact OG-CB 3.47Å; S242-W245 PolarHBondContact OG-N 3.34Å | ||
| 243 | Q | 51.7 | Low | 49.5 | Very low | 176 Ų | 176 | 120.6 Ų | 120.6 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -75.6 | -10 | 168 | -69.5 | -170.9 | -28.8 | 0 | 0 | 112.8 | I241 | I241-Q243 PolarHBondContact O-N 3.24Š|
| 244 | N | 48.3 | Very low | 49.6 | Very low | 147 Ų | 147 | 114.2 Ų | 114.2 | 79% | 0.786 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -102.6 | -8.5 | -168.1 | -68.8 | 5.6 | 0 | 0 | 0 | 115.2 | S242 | S242-N244 PolarHBondContact O-N 3.05Å; S242-N244 PolarHBondContact OG-N 3.41Å |
| 245 | W | 48.1 | Very low | 49.7 | Very low | 226 Ų | 226 | 114.3 Ų | 114.3 | 86% | 0.856 | 65% | 0.649 | S | S | * | * | trans | -111.1 | 75 | 174 | -58.2 | 100.5 | 0 | 0 | 0 | 109.4 | S242 F247 | S242-W245 WeakPolarHBondContact OG-CB 3.47Å; S242-W245 PolarHBondContact OG-N 3.34Å; W245-F247 PolarHBondContact O-N 3.47Å | ||
| 246 | T | 45.6 | Very low | 49.8 | Very low | 94 Ų | 94 | 110 Ų | 110 | 58% | 0.577 | 63% | 0.627 | S | S | * | * | trans | -77.7 | 104.9 | 157.6 | 39.8 | 0 | 0 | 0 | 0 | 107.2 | H248 | T246-H248 WeakPolarHBondContact CB-NE2 3.41Å; T246-H248 PolarHBondContact O-CD2 3.4Å; T246-H248 PolarHBondContact O-N 3.31Å; T246-H248 PolarHBondContact OG1-CD2 3.06Å; T246-H248 PolarHBondContact OG1-NE2 3.2Å | ||
| 247 | F | 42.8 | Very low | 50.3 | Low | 139 Ų | 139 | 102.3 Ų | 102.3 | 61% | 0.61 | 59% | 0.593 | S | S | * | * | trans | -61.3 | 100.5 | 170 | -173.6 | -98.2 | 0 | 0 | 0 | 106.7 | W245 A252 | W245-F247 PolarHBondContact O-N 3.47Å; F247-A252 HydrophobicContact CD1-CB 3.95Å; F247-A252 WeakPolarHBondContact O-CB 3.35Å | ||
| 248 | H | 39.6 | Very low | 50.6 | Low | 165 Ų | 165 | 99.7 Ų | 99.7 | 76% | 0.764 | 59% | 0.586 | S | S | * | * | trans | -97.3 | 99 | 176.4 | -74.4 | -78.2 | 0 | 0 | 0 | 108.4 | T246 | T246-H248 WeakPolarHBondContact CB-NE2 3.41Å; T246-H248 PolarHBondContact O-CD2 3.4Å; T246-H248 PolarHBondContact O-N 3.31Å; T246-H248 PolarHBondContact OG1-CD2 3.06Å; T246-H248 PolarHBondContact OG1-NE2 3.2Å | ||
| 249 | G | 46.7 | Very low | 51.3 | Low | 30 Ų | 30 | 98.5 Ų | 98.5 | 31% | 0.309 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -159.4 | 155.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | G251 A252 | G249-G251 PolarHBondContact O-N 2.68Å; G249-A252 VanDerWaalsContact O-CB 3.24Å; G249-A252 WeakPolarHBondContact O-CB 3.33Å; G249-A252 PolarHBondContact O-N 3.11Å |
| 250 | P | 41.7 | Very low | 51.9 | Low | 153 Ų | 153 | 98.7 Ų | 98.7 | 99% | 0.994 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 98.4 | 176.8 | 22.4 | -24.6 | 0 | 0 | 0 | 108.7 | ||
| 251 | G | 47.8 | Very low | 52.7 | Low | 34 Ų | 34 | 99.1 Ų | 99.1 | 35% | 0.351 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 131.1 | -0.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115 | G249 T253 A256 | G249-G251 PolarHBondContact O-N 2.68Å; G251-T253 VanDerWaalsContact C-N 3.32Å; G251-A256 VanDerWaalsContact O-CB 3.23Å; G251-A256 WeakPolarHBondContact O-CB 3.44Å |
| 252 | A | 47 | Very low | 53.5 | Low | 47 Ų | 47 | 95.4 Ų | 95.4 | 39% | 0.388 | 54% | 0.54 | S | S | . | . | trans | -69.6 | -23.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F247 G249 | F247-A252 HydrophobicContact CD1-CB 3.95Å; F247-A252 WeakPolarHBondContact O-CB 3.35Å; G249-A252 VanDerWaalsContact O-CB 3.24Å; G249-A252 WeakPolarHBondContact O-CB 3.33Å; G249-A252 PolarHBondContact O-N 3.11Å | ||
| 253 | T | 55 | Low | 54.3 | Low | 87 Ų | 87 | 95.8 Ų | 95.8 | 53% | 0.534 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -79.4 | 149.3 | 172.8 | 58.1 | 0 | 0 | 0 | 0 | 109 | G251 Q255 A256 | G251-T253 VanDerWaalsContact C-N 3.32Å; T253-Q255 PolarHBondContact O-N 3.47Å; T253-Q255 PolarHBondContact OG1-OE1 3.4Å; T253-A256 PolarHBondContact O-N 3.15Å; T253-A256 VanDerWaalsContact O-N 3.15Å |
| 254 | G | 56.4 | Low | 55.1 | Low | 60 Ų | 60 | 95.3 Ų | 95.3 | 62% | 0.619 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -10.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | A256 A257 A258 | G254-A256 PolarHBondContact O-N 2.88Å; G254-A257 PolarHBondContact O-N 3.4Å; G254-A258 WeakPolarHBondContact O-CB 3.47Å; G254-A258 PolarHBondContact O-N 3.25Å |
| 255 | Q | 59.3 | Low | 55.6 | Low | 124 Ų | 124 | 90 Ų | 90 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -56.3 | -38.5 | 169.7 | -89.4 | 119 | -31.1 | 0 | 0 | 114.9 | T253 A258 N259 | T253-Q255 PolarHBondContact O-N 3.47Å; T253-Q255 PolarHBondContact OG1-OE1 3.4Å; Q255-A258 PolarHBondContact O-N 3.26Å; Q255-N259 VanDerWaalsContact O-CB 3.24Å; Q255-N259 WeakPolarHBondContact O-CB 3.44Å; Q255-N259 PolarHBondContact O-N 2.88Å; Q255-N259 PolarHBondContact O-ND2 2.91Å; Q255-N259 PolarHBondContact O-OD1 2.84Å |
| 256 | A | 59 | Low | 56 | Low | 32 Ų | 32 | 91.7 Ų | 91.7 | 26% | 0.264 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69 | -37.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G251 T253 G254 W260 | G251-A256 VanDerWaalsContact O-CB 3.23Å; G251-A256 WeakPolarHBondContact O-CB 3.44Å; T253-A256 PolarHBondContact O-N 3.15Å; T253-A256 VanDerWaalsContact O-N 3.15Å; G254-A256 PolarHBondContact O-N 2.88Å; A256-W260 WeakPolarHBondContact O-CB 3.37Å; A256-W260 PolarHBondContact O-N 3.45Å |
| 257 | A | 60.3 | Low | 56.7 | Low | 14 Ų | 14 | 89.1 Ų | 89.1 | 12% | 0.116 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G254 N259 W260 I261 P270 L273 | G254-A257 PolarHBondContact O-N 3.4Å; A257-N259 PolarHBondContact O-N 2.85Å; A257-W260 PolarHBondContact O-N 2.95Å; A257-I261 VanDerWaalsContact O-CD1 3.26Å; A257-I261 WeakPolarHBondContact O-CD1 3.36Å; A257-I261 WeakPolarHBondContact O-CG1 3.31Å; A257-I261 PolarHBondContact O-N 3.02Å; A257-P270 HydrophobicContact CB-CG 4.39Å; A257-L273 HydrophobicContact CB-CD1 3.9Å; A257-L273 HydrophobicContact CB-CG 4.29Å |
| 258 | A | 61.8 | Low | 57.3 | Low | 50 Ų | 50 | 88.6 Ų | 88.6 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G254 Q255 W260 I261 A262 | G254-A258 WeakPolarHBondContact O-CB 3.47Å; G254-A258 PolarHBondContact O-N 3.25Å; Q255-A258 PolarHBondContact O-N 3.26Å; A258-W260 VanDerWaalsContact C-N 3.34Å; A258-W260 PolarHBondContact O-N 3.44Å; A258-I261 PolarHBondContact O-N 3.26Å; A258-A262 VanDerWaalsContact O-CB 3.23Å; A258-A262 WeakPolarHBondContact O-CB 3.48Å; A258-A262 PolarHBondContact O-N 2.98Å |
| 259 | N | 65.2 | Low | 58.2 | Low | 88 Ų | 88 | 84.4 Ų | 84.4 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.8 | -33.1 | 177.6 | -70 | -7.2 | 0 | 0 | 0 | 112.1 | Q255 A257 G263 F264 | Q255-N259 VanDerWaalsContact O-CB 3.24Å; Q255-N259 WeakPolarHBondContact O-CB 3.44Å; Q255-N259 PolarHBondContact O-N 2.88Å; Q255-N259 PolarHBondContact O-ND2 2.91Å; Q255-N259 PolarHBondContact O-OD1 2.84Å; A257-N259 PolarHBondContact O-N 2.85Å; N259-G263 PolarHBondContact O-N 2.96Å; N259-F264 WeakPolarHBondContact O-CB 3.36Å; N259-F264 PolarHBondContact O-N 3.42Å |
| 260 | W | 65.4 | Low | 59 | Low | 101 Ų | 101 | 84 Ų | 84 | 38% | 0.383 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.9 | -43.5 | 173.8 | -163.6 | 93.4 | 0 | 0 | 0 | 111.7 | A256 A257 A258 A262 G263 G267 M269 P270 L273 | A256-W260 WeakPolarHBondContact O-CB 3.37Å; A256-W260 PolarHBondContact O-N 3.45Å; A257-W260 PolarHBondContact O-N 2.95Å; A258-W260 VanDerWaalsContact C-N 3.34Å; A258-W260 PolarHBondContact O-N 3.44Å; W260-A262 VanDerWaalsContact C-N 3.28Å; W260-A262 PolarHBondContact O-N 3Å; W260-G263 PolarHBondContact O-N 3.27Å; W260-G263 VanDerWaalsContact O-N 3.11Å; W260-G267 PolarHBondContact NE1-O 2.98Å; W260-G267 VanDerWaalsContact NE1-O 3.14Å; W260-M269 HydrophobicContact CH2-CB 4.19Å; W260-M269 HydrophobicContact CZ2-CB 3.77Å; W260-P270 HydrophobicContact CB-CG 4.28Å; W260-P270 HydrophobicContact CG-CG 4.42Å; W260-L273 HydrophobicContact CE3-CD1 3.9Å |
| 261 | I | 65.6 | Low | 59.9 | Low | 118 Ų | 118 | 80.7 Ų | 80.7 | 61% | 0.605 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.8 | -34.7 | 175.7 | -55.8 | 153.7 | 0 | 0 | 0 | 110.9 | A257 A258 G263 L273 | A257-I261 VanDerWaalsContact O-CD1 3.26Å; A257-I261 WeakPolarHBondContact O-CD1 3.36Å; A257-I261 WeakPolarHBondContact O-CG1 3.31Å; A257-I261 PolarHBondContact O-N 3.02Å; A258-I261 PolarHBondContact O-N 3.26Å; I261-G263 PolarHBondContact O-N 3.36Å; I261-L273 HydrophobicContact CD1-CD1 4.11Å; I261-L273 HydrophobicContact CD1-CD2 4.39Å; I261-L273 HydrophobicContact CG1-CD1 3.76Å; I261-L273 HydrophobicContact CG1-CD2 4.33Å |
| 262 | A | 68.8 | Low | 60.4 | Low | 60 Ų | 60 | 83.1 Ų | 83.1 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 4.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | A258 W260 F264 | A258-A262 VanDerWaalsContact O-CB 3.23Å; A258-A262 WeakPolarHBondContact O-CB 3.48Å; A258-A262 PolarHBondContact O-N 2.98Å; W260-A262 VanDerWaalsContact C-N 3.28Å; W260-A262 PolarHBondContact O-N 3Å; A262-F264 HydrophobicContact CB-CD2 3.8Å; A262-F264 HydrophobicContact CB-CE2 4.02Å; A262-F264 WeakPolarHBondContact O-CD2 3.36Å; A262-F264 PolarHBondContact O-N 3.44Å |
| 263 | G | 65.4 | Low | 60.9 | Low | 66 Ų | 66 | 82.6 Ų | 82.6 | 68% | 0.68 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 4.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | N259 W260 I261 | N259-G263 PolarHBondContact O-N 2.96Å; W260-G263 PolarHBondContact O-N 3.27Å; W260-G263 VanDerWaalsContact O-N 3.11Å; I261-G263 PolarHBondContact O-N 3.36Å |
| 264 | F | 66.5 | Low | 61.1 | Low | 167 Ų | 167 | 81.3 Ų | 81.3 | 73% | 0.732 | 48% | 0.478 | S | S | * | . | trans | -85.5 | -7.9 | 179.7 | -64.5 | -78.3 | 0 | 0 | 0 | 113.8 | N259 A262 R266 | N259-F264 WeakPolarHBondContact O-CB 3.36Å; N259-F264 PolarHBondContact O-N 3.42Å; A262-F264 HydrophobicContact CB-CD2 3.8Å; A262-F264 HydrophobicContact CB-CE2 4.02Å; A262-F264 WeakPolarHBondContact O-CD2 3.36Å; A262-F264 PolarHBondContact O-N 3.44Å; F264-R266 PolarHBondContact O-N 3Å | ||
| 265 | G | 58.7 | Low | 61.2 | Low | 34 Ų | 34 | 80.2 Ų | 80.2 | 35% | 0.351 | 47% | 0.466 | S | S | . | . | trans | -90.1 | 94.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G267 | G265-G267 PolarHBondContact O-N 2.93Å; G265-G267 VanDerWaalsContact O-N 3.09Å | ||
| 266 | R | 56.6 | Low | 61.2 | Low | 263 Ų | 263 | 79.5 Ų | 79.5 | 99% | 0.992 | 47% | 0.465 | S | S | * | . | trans | -82.9 | 61.6 | 166.7 | -73.4 | -161.4 | 177.5 | 165.9 | 1.1 | 111.8 | F264 | F264-R266 PolarHBondContact O-N 3Š| ||
| 267 | G | 60.3 | Low | 61.2 | Low | 40 Ų | 40 | 86.6 Ų | 86.6 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -160.7 | 170.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | W260 G265 | W260-G267 PolarHBondContact NE1-O 2.98Å; W260-G267 VanDerWaalsContact NE1-O 3.14Å; G265-G267 PolarHBondContact O-N 2.93Å; G265-G267 VanDerWaalsContact O-N 3.09Å |
| 268 | P | 57.3 | Low | 61.3 | Low | 128 Ų | 128 | 92 Ų | 92 | 83% | 0.831 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -57.2 | 142.2 | 177.3 | 23.5 | -31.8 | 0 | 0 | 0 | 111.1 | ||
| 269 | M | 58.5 | Low | 61.4 | Low | 77 Ų | 77 | 94 Ų | 94 | 38% | 0.379 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 134 | -177 | 53.3 | -179.3 | 155.7 | 0 | 0 | 112.1 | W260 L274 | W260-M269 HydrophobicContact CH2-CB 4.19Å; W260-M269 HydrophobicContact CZ2-CB 3.77Å; M269-L274 HydrophobicContact CE-CD1 4.28Å; M269-L274 HydrophobicContact CE-CD2 3.35Å; M269-L274 HydrophobicContact CE-CG 3.96Å; M269-L274 HydrophobicContact CG-CD1 3.9Å; M269-L274 HydrophobicContact CG-CD2 4.23Å; M269-L274 HydrophobicContact CG-CG 3.76Å; M269-L274 HydrophobicContact SD-CD1 4.21Å; M269-L274 HydrophobicContact SD-CD2 3.4Å; M269-L274 WeakPolarHBondContact SD-CD2 3.36Å; M269-L274 HydrophobicContact SD-CG 3.52Å; M269-L274 VanDerWaalsContact SD-CG 3.52Å |
| 270 | P | 62.3 | Low | 61.3 | Low | 22 Ų | 22 | 95.8 Ų | 95.8 | 14% | 0.143 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 145.8 | -179 | 24.2 | -31.1 | 0 | 0 | 0 | 111.4 | A257 W260 T272 L273 L274 | A257-P270 HydrophobicContact CB-CG 4.39Å; W260-P270 HydrophobicContact CB-CG 4.28Å; W260-P270 HydrophobicContact CG-CG 4.42Å; P270-T272 PolarHBondContact O-N 3.28Å; P270-T272 VanDerWaalsContact O-N 3.1Å; P270-L273 HydrophobicContact CG-CB 4.4Å; P270-L273 HydrophobicContact CG-CD1 3.96Å; P270-L273 PolarHBondContact O-N 2.92Å; P270-L274 PolarHBondContact O-N 3.47Å |
| 271 | P | 60.1 | Low | 61.3 | Low | 82 Ų | 82 | 96.9 Ų | 96.9 | 53% | 0.532 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.8 | -25.9 | -173 | 18.5 | -29.6 | 0 | 0 | 0 | 114.1 | L274 G275 | P271-L274 WeakPolarHBondContact O-CB 3.49Å; P271-L274 PolarHBondContact O-N 3.39Å; P271-G275 PolarHBondContact O-N 3.19Å; P271-G275 VanDerWaalsContact O-N 3.17Å |
| 272 | T | 58.8 | Low | 61.4 | Low | 86 Ų | 86 | 95 Ų | 95 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -37.5 | 174.8 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | P270 I276 | P270-T272 PolarHBondContact O-N 3.28Å; P270-T272 VanDerWaalsContact O-N 3.1Å; T272-I276 WeakPolarHBondContact O-CG1 3.44Å; T272-I276 PolarHBondContact O-N 3.4Å |
| 273 | L | 58.2 | Low | 61.3 | Low | 35 Ų | 35 | 97 Ų | 97 | 18% | 0.183 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -77.5 | -32.7 | 176.1 | -96.4 | 158.8 | 0 | 0 | 0 | 112.7 | A257 W260 I261 P270 G275 I276 R277 | A257-L273 HydrophobicContact CB-CD1 3.9Å; A257-L273 HydrophobicContact CB-CG 4.29Å; W260-L273 HydrophobicContact CE3-CD1 3.9Å; I261-L273 HydrophobicContact CD1-CD1 4.11Å; I261-L273 HydrophobicContact CD1-CD2 4.39Å; I261-L273 HydrophobicContact CG1-CD1 3.76Å; I261-L273 HydrophobicContact CG1-CD2 4.33Å; P270-L273 HydrophobicContact CG-CB 4.4Å; P270-L273 HydrophobicContact CG-CD1 3.96Å; P270-L273 PolarHBondContact O-N 2.92Å; L273-G275 VanDerWaalsContact C-N 3.32Å; L273-G275 PolarHBondContact O-N 3.22Å; L273-I276 PolarHBondContact O-N 3.37Å; L273-R277 PolarHBondContact O-N 2.99Å |
| 274 | L | 58.8 | Low | 61.5 | Low | 61 Ų | 61 | 99.5 Ų | 99.5 | 32% | 0.319 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.7 | -44.2 | 171.3 | -91.3 | 163 | 0 | 0 | 0 | 111.8 | M269 P270 P271 I276 R277 Q278 | M269-L274 HydrophobicContact CE-CD1 4.28Å; M269-L274 HydrophobicContact CE-CD2 3.35Å; M269-L274 HydrophobicContact CE-CG 3.96Å; M269-L274 HydrophobicContact CG-CD1 3.9Å; M269-L274 HydrophobicContact CG-CD2 4.23Å; M269-L274 HydrophobicContact CG-CG 3.76Å; M269-L274 HydrophobicContact SD-CD1 4.21Å; M269-L274 HydrophobicContact SD-CD2 3.4Å; M269-L274 WeakPolarHBondContact SD-CD2 3.36Å; M269-L274 HydrophobicContact SD-CG 3.52Å; M269-L274 VanDerWaalsContact SD-CG 3.52Å; P270-L274 PolarHBondContact O-N 3.47Å; P271-L274 WeakPolarHBondContact O-CB 3.49Å; P271-L274 PolarHBondContact O-N 3.39Å; L274-I276 PolarHBondContact O-N 3.42Å; L274-R277 PolarHBondContact O-N 3.24Å; L274-Q278 WeakPolarHBondContact O-CB 3.44Å; L274-Q278 WeakPolarHBondContact O-CG 3.34Å; L274-Q278 PolarHBondContact O-N 3.01Å |
| 275 | G | 58.8 | Low | 61.8 | Low | 36 Ų | 36 | 100.1 Ų | 100.1 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P271 L273 N279 | P271-G275 PolarHBondContact O-N 3.19Å; P271-G275 VanDerWaalsContact O-N 3.17Å; L273-G275 VanDerWaalsContact C-N 3.32Å; L273-G275 PolarHBondContact O-N 3.22Å; G275-N279 VanDerWaalsContact O-CB 3.28Å; G275-N279 WeakPolarHBondContact O-CB 3.31Å; G275-N279 PolarHBondContact O-N 2.87Å |
| 276 | I | 59.9 | Low | 62.3 | Low | 110 Ų | 110 | 104.5 Ų | 104.5 | 56% | 0.564 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.7 | -45 | 177.2 | -65.4 | 167.6 | 0 | 0 | 0 | 111.1 | T272 L273 L274 N279 L280 | T272-I276 WeakPolarHBondContact O-CG1 3.44Å; T272-I276 PolarHBondContact O-N 3.4Å; L273-I276 PolarHBondContact O-N 3.37Å; L274-I276 PolarHBondContact O-N 3.42Å; I276-N279 PolarHBondContact O-N 2.6Å; I276-L280 PolarHBondContact O-N 2.78Å |
| 277 | R | 59.2 | Low | 63.1 | Low | 181 Ų | 181 | 96.7 Ų | 96.7 | 68% | 0.683 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.5 | -41.3 | 178.7 | -170.1 | 180 | -177 | -160.1 | 1.7 | 112.1 | L273 L274 N279 L280 H281 | L273-R277 PolarHBondContact O-N 2.99Å; L274-R277 PolarHBondContact O-N 3.24Å; R277-N279 VanDerWaalsContact C-N 3.33Å; R277-L280 PolarHBondContact O-N 3.3Å; R277-H281 WeakPolarHBondContact O-CB 3.07Å; R277-H281 PolarHBondContact O-N 3.44Å |
| 278 | Q | 61.1 | Low | 63.6 | Low | 127 Ų | 127 | 99.2 Ų | 99.2 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -39.4 | 173.4 | -76.4 | -178.7 | -13.6 | 0 | 0 | 111.7 | L274 H281 N282 | L274-Q278 WeakPolarHBondContact O-CB 3.44Å; L274-Q278 WeakPolarHBondContact O-CG 3.34Å; L274-Q278 PolarHBondContact O-N 3.01Å; Q278-H281 PolarHBondContact O-N 3.17Å; Q278-N282 VanDerWaalsContact O-CB 3.31Å; Q278-N282 WeakPolarHBondContact O-CB 3.36Å; Q278-N282 VanDerWaalsContact O-CG 3.31Å; Q278-N282 PolarHBondContact O-N 3.34Å; Q278-N282 PolarHBondContact O-ND2 3.45Å |
| 279 | N | 63.4 | Low | 64.4 | Low | 93 Ų | 93 | 94.5 Ų | 94.5 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.3 | -163.1 | 16.2 | 0 | 0 | 0 | 111.5 | G275 I276 R277 N282 Q283 | G275-N279 VanDerWaalsContact O-CB 3.28Å; G275-N279 WeakPolarHBondContact O-CB 3.31Å; G275-N279 PolarHBondContact O-N 2.87Å; I276-N279 PolarHBondContact O-N 2.6Å; R277-N279 VanDerWaalsContact C-N 3.33Å; N279-N282 PolarHBondContact O-N 2.89Å; N279-Q283 VanDerWaalsContact O-CB 3.26Å; N279-Q283 WeakPolarHBondContact O-CB 3.43Å; N279-Q283 WeakPolarHBondContact O-CG 3.39Å; N279-Q283 PolarHBondContact O-N 3.04Å |
| 280 | L | 63.2 | Low | 65.1 | Low | 125 Ų | 125 | 96.6 Ų | 96.6 | 65% | 0.654 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.7 | -44.3 | 175.7 | -168.8 | 75.6 | 0 | 0 | 0 | 111.9 | I276 R277 Q283 H284 | I276-L280 PolarHBondContact O-N 2.78Å; R277-L280 PolarHBondContact O-N 3.3Å; L280-Q283 PolarHBondContact O-N 3.38Å; L280-H284 WeakPolarHBondContact O-CB 3.31Å; L280-H284 PolarHBondContact O-N 3.19Å |
| 281 | H | 65.4 | Low | 65.8 | Low | 123 Ų | 123 | 101.2 Ų | 101.2 | 57% | 0.569 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -43.9 | 176 | -175.1 | 78.3 | 0 | 0 | 0 | 111.7 | R277 Q278 H284 R285 | R277-H281 WeakPolarHBondContact O-CB 3.07Å; R277-H281 PolarHBondContact O-N 3.44Å; Q278-H281 PolarHBondContact O-N 3.17Å; H281-H284 PolarHBondContact O-N 2.97Å; H281-R285 WeakPolarHBondContact O-CB 3.37Å; H281-R285 PolarHBondContact O-N 3.29Å |
| 282 | N | 67.7 | Low | 66.7 | Low | 78 Ų | 78 | 102.2 Ų | 102.2 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.5 | -35.8 | 176.4 | -77.3 | -25.3 | 0 | 0 | 0 | 112.7 | Q278 N279 R286 | Q278-N282 VanDerWaalsContact O-CB 3.31Å; Q278-N282 WeakPolarHBondContact O-CB 3.36Å; Q278-N282 VanDerWaalsContact O-CG 3.31Å; Q278-N282 PolarHBondContact O-N 3.34Å; Q278-N282 PolarHBondContact O-ND2 3.45Å; N279-N282 PolarHBondContact O-N 2.89Å; N282-R286 WeakPolarHBondContact O-CB 3.39Å; N282-R286 VanDerWaalsContact O-CG 3.24Å; N282-R286 WeakPolarHBondContact O-CG 3.43Å; N282-R286 PolarHBondContact O-N 3.34Å |
| 283 | Q | 68 | Low | 67.6 | Low | 104 Ų | 104 | 101.5 Ų | 101.5 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -48.4 | 173.6 | -75 | -111.4 | -42.2 | 0 | 0 | 111 | N279 L280 R285 R286 L287 | N279-Q283 VanDerWaalsContact O-CB 3.26Å; N279-Q283 WeakPolarHBondContact O-CB 3.43Å; N279-Q283 WeakPolarHBondContact O-CG 3.39Å; N279-Q283 PolarHBondContact O-N 3.04Å; L280-Q283 PolarHBondContact O-N 3.38Å; Q283-R285 PolarHBondContact O-N 3.25Å; Q283-R286 PolarHBondContact O-N 2.65Å; Q283-L287 PolarHBondContact O-N 2.69Å |
| 284 | H | 69.6 | Low | 68.6 | Low | 118 Ų | 118 | 106.1 Ų | 106.1 | 55% | 0.546 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 178.8 | -162.6 | 70.3 | 0 | 0 | 0 | 111.5 | L280 H281 R286 L287 L288 | L280-H284 WeakPolarHBondContact O-CB 3.31Å; L280-H284 PolarHBondContact O-N 3.19Å; H281-H284 PolarHBondContact O-N 2.97Å; H284-R286 VanDerWaalsContact C-N 3.32Å; H284-R286 PolarHBondContact O-N 2.91Å; H284-L287 PolarHBondContact O-N 3.47Å; H284-L288 WeakPolarHBondContact O-CG 3.48Å; H284-L288 PolarHBondContact O-N 2.9Å |
| 285 | R | 72.3 | Confident | 69.6 | Low | 179 Ų | 179 | 105.2 Ų | 105.2 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -35.2 | 175.5 | -163.7 | 174.7 | -177.1 | -175.3 | 1.8 | 112.8 | H281 Q283 G289 | H281-R285 WeakPolarHBondContact O-CB 3.37Å; H281-R285 PolarHBondContact O-N 3.29Å; Q283-R285 PolarHBondContact O-N 3.25Å; R285-G289 PolarHBondContact O-N 3.48Å; R285-G289 VanDerWaalsContact O-N 3.14Å |
| 286 | R | 70 | Confident | 70.7 | Confident | 126 Ų | 126 | 104.8 Ų | 104.8 | 48% | 0.475 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.4 | -41.1 | 174.3 | -78.2 | 174.4 | -178.7 | -175.7 | 1.4 | 112.6 | L237 N282 Q283 H284 G289 M290 | L237-R286 VanDerWaalsContact CD2-NH2 3.31Å; N282-R286 WeakPolarHBondContact O-CB 3.39Å; N282-R286 VanDerWaalsContact O-CG 3.24Å; N282-R286 WeakPolarHBondContact O-CG 3.43Å; N282-R286 PolarHBondContact O-N 3.34Å; Q283-R286 PolarHBondContact O-N 2.65Å; H284-R286 VanDerWaalsContact C-N 3.32Å; H284-R286 PolarHBondContact O-N 2.91Å; R286-G289 PolarHBondContact O-N 3.42Å; R286-M290 WeakPolarHBondContact O-CG 3.28Å; R286-M290 PolarHBondContact O-N 3.23Å |
| 287 | L | 72.9 | Confident | 71.8 | Confident | 100 Ų | 100 | 103.1 Ų | 103.1 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.9 | -50.2 | 175.2 | -83.2 | 157.3 | 0 | 0 | 0 | 110.5 | Q283 H284 G289 M290 E291 | Q283-L287 PolarHBondContact O-N 2.69Å; H284-L287 PolarHBondContact O-N 3.47Å; L287-G289 VanDerWaalsContact C-N 3.33Å; L287-G289 PolarHBondContact O-N 2.89Å; L287-M290 PolarHBondContact O-N 3.27Å; L287-M290 VanDerWaalsContact O-N 3.14Å; L287-E291 WeakPolarHBondContact O-CG 3.32Å; L287-E291 PolarHBondContact O-N 3.48Å |
| 288 | L | 70.5 | Confident | 73 | Confident | 92 Ų | 92 | 100.1 Ų | 100.1 | 48% | 0.482 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 175.7 | -69.5 | 169 | 0 | 0 | 0 | 112.1 | H284 M290 E291 E292 | H284-L288 WeakPolarHBondContact O-CG 3.48Å; H284-L288 PolarHBondContact O-N 2.9Å; L288-M290 PolarHBondContact O-N 3.37Å; L288-E291 PolarHBondContact O-N 3.41Å; L288-E292 PolarHBondContact O-N 3.06Å |
| 289 | G | 73.1 | Confident | 74.1 | Confident | 29 Ų | 29 | 94.7 Ų | 94.7 | 30% | 0.299 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R285 R286 L287 E292 V293 | R285-G289 PolarHBondContact O-N 3.48Å; R285-G289 VanDerWaalsContact O-N 3.14Å; R286-G289 PolarHBondContact O-N 3.42Å; L287-G289 VanDerWaalsContact C-N 3.33Å; L287-G289 PolarHBondContact O-N 2.89Å; G289-E292 PolarHBondContact O-N 2.9Å; G289-V293 WeakPolarHBondContact O-CG2 3.44Å; G289-V293 PolarHBondContact O-N 3.32Å |
| 290 | M | 75 | Confident | 75.2 | Confident | 122 Ų | 122 | 90.5 Ų | 90.5 | 60% | 0.601 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -68.9 | -35.2 | 174.9 | -73.5 | -178.8 | 69.3 | 0 | 0 | 112.1 | R286 L287 L288 R294 | R286-M290 WeakPolarHBondContact O-CG 3.28Å; R286-M290 PolarHBondContact O-N 3.23Å; L287-M290 PolarHBondContact O-N 3.27Å; L287-M290 VanDerWaalsContact O-N 3.14Å; L288-M290 PolarHBondContact O-N 3.37Å; M290-R294 WeakPolarHBondContact O-CB 3.37Å; M290-R294 PolarHBondContact O-N 2.99Å |
| 291 | E | 76.2 | Confident | 76.3 | Confident | 118 Ų | 118 | 91.9 Ų | 91.9 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66.9 | -42.3 | 173.2 | -70.2 | -162.7 | 142.3 | 0 | 0 | 112.1 | L287 L288 R294 S295 | L287-E291 WeakPolarHBondContact O-CG 3.32Å; L287-E291 PolarHBondContact O-N 3.48Å; L288-E291 PolarHBondContact O-N 3.41Å; E291-R294 WeakPolarHBondContact O-CB 3.39Å; E291-R294 PolarHBondContact O-N 3.15Å; E291-R294 VanDerWaalsContact O-N 3.15Å; E291-S295 PolarHBondContact O-N 3.1Å |
| 292 | E | 78.5 | Confident | 77.4 | Confident | 104 Ų | 104 | 86.1 Ų | 86.1 | 49% | 0.486 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 175.5 | -170.3 | 172.5 | -160 | 0 | 0 | 111.9 | L288 G289 R294 S295 E296 | L288-E292 PolarHBondContact O-N 3.06Å; G289-E292 PolarHBondContact O-N 2.9Å; E292-R294 VanDerWaalsContact C-N 3.29Å; E292-R294 PolarHBondContact O-N 3.46Å; E292-S295 PolarHBondContact O-N 3.22Å; E292-S295 PolarHBondContact O-OG 3.42Å; E292-E296 WeakPolarHBondContact O-CG 3.44Å; E292-E296 PolarHBondContact O-N 3.26Å |
| 293 | V | 77.3 | Confident | 78.5 | Confident | 71 Ų | 71 | 82.6 Ų | 82.6 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 174.3 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | G289 R297 | G289-V293 WeakPolarHBondContact O-CG2 3.44Å; G289-V293 PolarHBondContact O-N 3.32Å; V293-R297 WeakPolarHBondContact O-CG 3.05Å; V293-R297 PolarHBondContact O-N 3.4Å; V293-R297 VanDerWaalsContact O-N 3.16Å |
| 294 | R | 80 | Confident | 79.5 | Confident | 131 Ų | 131 | 81 Ų | 81 | 49% | 0.494 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 178.6 | -173.3 | -175.4 | -69.3 | 160.3 | -4.5 | 111.4 | M290 E291 E292 R297 R298 | M290-R294 WeakPolarHBondContact O-CB 3.37Å; M290-R294 PolarHBondContact O-N 2.99Å; E291-R294 WeakPolarHBondContact O-CB 3.39Å; E291-R294 PolarHBondContact O-N 3.15Å; E291-R294 VanDerWaalsContact O-N 3.15Å; E292-R294 VanDerWaalsContact C-N 3.29Å; E292-R294 PolarHBondContact O-N 3.46Å; R294-R297 PolarHBondContact O-N 2.92Å; R294-R298 WeakPolarHBondContact O-CG 3.37Å; R294-R298 PolarHBondContact O-N 2.96Å; R294-R298 VanDerWaalsContact O-N 3.12Å |
| 295 | S | 79 | Confident | 80.5 | Confident | 43 Ų | 43 | 77.4 Ų | 77.4 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 176.3 | 65.9 | 0 | 0 | 0 | 0 | 110.8 | E291 E292 R297 R298 L299 | E291-S295 PolarHBondContact O-N 3.1Å; E292-S295 PolarHBondContact O-N 3.22Å; E292-S295 PolarHBondContact O-OG 3.42Å; S295-R297 VanDerWaalsContact C-N 3.28Å; S295-R297 PolarHBondContact O-N 3.45Å; S295-R298 WeakPolarHBondContact O-CB 3.32Å; S295-R298 PolarHBondContact O-N 3.34Å; S295-L299 WeakPolarHBondContact O-CG 3.28Å; S295-L299 PolarHBondContact O-N 2.95Å |
| 296 | E | 82.6 | Confident | 81.3 | Confident | 27 Ų | 27 | 69 Ų | 69 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.1 | -37.4 | 175.9 | -73.8 | -65 | 148.5 | 0 | 0 | 112.6 | R136 E292 L299 G300 | R136-E296 IonicContact CZ-OE2 3.81Å; R136-E296 IonicContact NH1-OE2 2.71Å; R136-E296 PolarHBondContact NH1-OE2 2.99Å; E292-E296 WeakPolarHBondContact O-CG 3.44Å; E292-E296 PolarHBondContact O-N 3.26Å; E296-L299 PolarHBondContact O-N 2.97Å; E296-G300 PolarHBondContact O-N 3.49Å |
| 297 | R | 82.6 | Confident | 82.3 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 173.3 | -72.1 | 178.7 | -174 | 179.1 | 2.9 | 113.1 | V293 R294 S295 L299 G300 R301 | V293-R297 WeakPolarHBondContact O-CG 3.05Å; V293-R297 PolarHBondContact O-N 3.4Å; V293-R297 VanDerWaalsContact O-N 3.16Å; R294-R297 PolarHBondContact O-N 2.92Å; S295-R297 VanDerWaalsContact C-N 3.28Å; S295-R297 PolarHBondContact O-N 3.45Å; R297-L299 VanDerWaalsContact C-N 3.33Å; R297-G300 PolarHBondContact O-N 2.89Å; R297-R301 WeakPolarHBondContact O-CG 3.11Å; R297-R301 PolarHBondContact O-N 2.87Å |
| 298 | R | 84.6 | Confident | 83.2 | Confident | 118 Ų | 118 | 61.4 Ų | 61.4 | 45% | 0.445 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 174.9 | -70 | -179.8 | -168.6 | 178 | 5.5 | 110.6 | R294 S295 R301 M302 E360 | R294-R298 WeakPolarHBondContact O-CG 3.37Å; R294-R298 PolarHBondContact O-N 2.96Å; R294-R298 VanDerWaalsContact O-N 3.12Å; S295-R298 WeakPolarHBondContact O-CB 3.32Å; S295-R298 PolarHBondContact O-N 3.34Å; R298-R301 PolarHBondContact O-N 3.34Å; R298-M302 PolarHBondContact O-N 3.49Å; R298-E360 IonicContact CZ-OE2 3.87Å; R298-E360 IonicContact NH1-OE2 2.72Å; R298-E360 PolarHBondContact NH1-OE2 3.44Å |
| 299 | L | 84.9 | Confident | 84.2 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 7% | 0.073 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 173.6 | -65.9 | 174.3 | 0 | 0 | 0 | 111.3 | Y73 S295 E296 R297 R301 M302 F303 | Y73-L299 HydrophobicContact CE2-CD2 4.42Å; Y73-L299 VanDerWaalsContact OH-CD2 3.31Å; Y73-L299 WeakPolarHBondContact OH-CD2 3.45Å; S295-L299 WeakPolarHBondContact O-CG 3.28Å; S295-L299 PolarHBondContact O-N 2.95Å; E296-L299 PolarHBondContact O-N 2.97Å; R297-L299 VanDerWaalsContact C-N 3.33Å; L299-R301 VanDerWaalsContact C-N 3.32Å; L299-R301 PolarHBondContact O-N 3.17Å; L299-M302 HydrophobicContact CD2-CE 4.44Å; L299-M302 WeakPolarHBondContact O-CB 3.18Å; L299-M302 PolarHBondContact O-N 3.43Å; L299-M302 VanDerWaalsContact O-N 3.15Å; L299-F303 WeakPolarHBondContact O-CD2 3.2Å; L299-F303 PolarHBondContact O-N 2.85Å |
| 300 | G | 85.6 | Confident | 85 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.1 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | E296 R297 F303 Y304 | E296-G300 PolarHBondContact O-N 3.49Å; R297-G300 PolarHBondContact O-N 2.89Å; G300-F303 PolarHBondContact O-N 2.95Å; G300-Y304 WeakPolarHBondContact O-CB 3.31Å; G300-Y304 PolarHBondContact O-N 2.91Å |
| 301 | R | 86.3 | Confident | 85.8 | Confident | 154 Ų | 154 | 54.3 Ų | 54.3 | 58% | 0.581 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62.6 | -41.2 | 175.1 | -75.7 | 174 | 57.2 | -149.8 | -4.5 | 112.7 | R297 R298 L299 Y304 T305 | R297-R301 WeakPolarHBondContact O-CG 3.11Å; R297-R301 PolarHBondContact O-N 2.87Å; R298-R301 PolarHBondContact O-N 3.34Å; L299-R301 VanDerWaalsContact C-N 3.32Å; L299-R301 PolarHBondContact O-N 3.17Å; R301-Y304 PolarHBondContact O-N 3.01Å; R301-T305 PolarHBondContact O-N 2.97Å; R301-T305 PolarHBondContact O-OG1 3.27Å; R301-T305 VanDerWaalsContact O-OG1 3.05Å |
| 302 | M | 89.3 | Confident | 86.6 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -52.5 | 175.9 | 174.3 | -171 | 80.8 | 0 | 0 | 111.4 | R298 L299 Y304 T305 I306 L358 N359 | R298-M302 PolarHBondContact O-N 3.49Å; L299-M302 HydrophobicContact CD2-CE 4.44Å; L299-M302 WeakPolarHBondContact O-CB 3.18Å; L299-M302 PolarHBondContact O-N 3.43Å; L299-M302 VanDerWaalsContact O-N 3.15Å; M302-Y304 VanDerWaalsContact C-N 3.29Å; M302-Y304 PolarHBondContact O-N 3.5Å; M302-T305 PolarHBondContact O-N 3.14Å; M302-T305 VanDerWaalsContact O-N 3.14Å; M302-I306 HydrophobicContact CG-CD1 3.94Å; M302-I306 WeakPolarHBondContact O-CG1 3.24Å; M302-I306 PolarHBondContact O-N 3.42Å; M302-L358 HydrophobicContact CB-CB 4.14Å; M302-L358 HydrophobicContact CG-CB 3.88Å; M302-L358 HydrophobicContact CG-CD1 4.4Å; M302-N359 HydrophobicContact SD-CB 3.53Å; M302-N359 VanDerWaalsContact SD-CB 3.53Å; M302-N359 PolarHBondContact SD-ND2 3.45Å; M302-N359 VanDerWaalsContact SD-ND2 3.44Å |
| 303 | F | 89.8 | Confident | 87.3 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.4 | -35.5 | 179.4 | -76.2 | -70.1 | 0 | 0 | 0 | 112.9 | P72 L76 V132 R136 Y219 L299 G300 I306 T307 | P72-F303 HydrophobicContact CB-CE2 3.58Å; P72-F303 HydrophobicContact CB-CZ 3.85Å; P72-F303 WeakPolarHBondContact O-CZ 3.37Å; L76-F303 HydrophobicContact CB-CE1 4.1Å; L76-F303 HydrophobicContact CB-CZ 4.14Å; L76-F303 HydrophobicContact CD1-CE1 4.44Å; V132-F303 HydrophobicContact CG1-CB 3.81Å; V132-F303 HydrophobicContact CG1-CD1 3.48Å; V132-F303 VanDerWaalsContact CG1-CD1 3.48Å; V132-F303 HydrophobicContact CG1-CD2 4.4Å; V132-F303 HydrophobicContact CG1-CE1 4.11Å; V132-F303 HydrophobicContact CG1-CG 3.64Å; R136-F303 HydrophobicContact CG-CB 4.37Å; R136-F303 HydrophobicContact CG-CD2 4.32Å; Y219-F303 PolarHBondContact OH-O 3.47Å; L299-F303 WeakPolarHBondContact O-CD2 3.2Å; L299-F303 PolarHBondContact O-N 2.85Å; G300-F303 PolarHBondContact O-N 2.95Å; F303-I306 HydrophobicContact CD1-CD1 4.36Å; F303-I306 PolarHBondContact O-N 2.97Å; F303-T307 WeakPolarHBondContact O-CB 3.44Å; F303-T307 PolarHBondContact O-N 3.44Å; F303-T307 PolarHBondContact O-OG1 3.42Å |
| 304 | Y | 90.1 | Very high | 88 | Confident | 70 Ų | 70 | 46.6 Ų | 46.6 | 28% | 0.275 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 171.6 | 174.1 | -114.7 | 0 | 0 | 0 | 111.6 | Y219 L223 G300 R301 M302 I306 T307 L308 | Y219-Y304 AromaticContact CD1-CD2 3.7Å; Y219-Y304 HydrophobicContact CD1-CD2 3.7Å; Y219-Y304 HydrophobicContact CD1-CG 4.23Å; Y219-Y304 HydrophobicContact CD2-CD2 4.14Å; Y219-Y304 HydrophobicContact CE1-CD2 4.35Å; Y219-Y304 AromaticContact CG-CD2 3.58Å; Y219-Y304 HydrophobicContact CG-CD2 3.58Å; Y219-Y304 HydrophobicContact CG-CE2 4.28Å; L223-Y304 HydrophobicContact CD1-CD1 4.49Å; L223-Y304 HydrophobicContact CD1-CE1 3.98Å; L223-Y304 HydrophobicContact CD1-CE2 4.06Å; G300-Y304 WeakPolarHBondContact O-CB 3.31Å; G300-Y304 PolarHBondContact O-N 2.91Å; R301-Y304 PolarHBondContact O-N 3.01Å; M302-Y304 VanDerWaalsContact C-N 3.29Å; M302-Y304 PolarHBondContact O-N 3.5Å; Y304-I306 VanDerWaalsContact C-N 3.34Å; Y304-I306 PolarHBondContact O-N 2.7Å; Y304-T307 PolarHBondContact O-N 2.86Å; Y304-L308 HydrophobicContact CE1-CD2 4.49Å; Y304-L308 WeakPolarHBondContact O-CB 3.34Å; Y304-L308 PolarHBondContact O-N 3.38Å |
| 305 | T | 89.8 | Confident | 88.5 | Confident | 43 Ų | 43 | 41.9 Ų | 41.9 | 26% | 0.264 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | R301 M302 T307 L308 L309 F354 L358 | R301-T305 PolarHBondContact O-N 2.97Å; R301-T305 PolarHBondContact O-OG1 3.27Å; R301-T305 VanDerWaalsContact O-OG1 3.05Å; M302-T305 PolarHBondContact O-N 3.14Å; M302-T305 VanDerWaalsContact O-N 3.14Å; T305-T307 VanDerWaalsContact C-N 3.32Å; T305-T307 PolarHBondContact O-N 3.48Å; T305-L308 PolarHBondContact O-N 3.48Å; T305-L309 HydrophobicContact CG2-CD1 4.1Å; T305-L309 HydrophobicContact CG2-CG 4.48Å; T305-L309 VanDerWaalsContact O-CG 3.29Å; T305-L309 WeakPolarHBondContact O-CG 3.07Å; T305-L309 PolarHBondContact O-N 3.3Å; T305-F354 HydrophobicContact CG2-CD1 4.2Å; T305-L358 HydrophobicContact CG2-CD1 3.67Å |
| 306 | I | 90 | Very high | 89.1 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 176.6 | -65.5 | 160.8 | 0 | 0 | 0 | 110.8 | L129 M302 F303 Y304 L309 F310 C355 | L129-I306 HydrophobicContact CD2-CG2 4.37Å; M302-I306 HydrophobicContact CG-CD1 3.94Å; M302-I306 WeakPolarHBondContact O-CG1 3.24Å; M302-I306 PolarHBondContact O-N 3.42Å; F303-I306 HydrophobicContact CD1-CD1 4.36Å; F303-I306 PolarHBondContact O-N 2.97Å; Y304-I306 VanDerWaalsContact C-N 3.34Å; Y304-I306 PolarHBondContact O-N 2.7Å; I306-L309 PolarHBondContact O-N 2.74Å; I306-F310 PolarHBondContact O-N 3.38Å; I306-F310 VanDerWaalsContact O-N 3.07Å; I306-C355 WeakPolarHBondContact CD1-SG 3.28Å |
| 307 | T | 91.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.5 | -38 | 179.7 | -53.2 | 0 | 0 | 0 | 0 | 112 | L129 T215 Y219 F303 Y304 T305 L309 F310 L311 | L129-T307 HydrophobicContact CB-CG2 4.43Å; T215-T307 HydrophobicContact CG2-CG2 3.65Å; Y219-T307 HydrophobicContact CD2-CG2 4.08Å; Y219-T307 HydrophobicContact CE2-CG2 3.67Å; Y219-T307 VanDerWaalsContact CE2-OG1 3.27Å; Y219-T307 WeakPolarHBondContact CE2-OG1 3.38Å; Y219-T307 PolarHBondContact OH-OG1 3.38Å; F303-T307 WeakPolarHBondContact O-CB 3.44Å; F303-T307 PolarHBondContact O-N 3.44Å; F303-T307 PolarHBondContact O-OG1 3.42Å; Y304-T307 PolarHBondContact O-N 2.86Å; T305-T307 VanDerWaalsContact C-N 3.32Å; T305-T307 PolarHBondContact O-N 3.48Å; T307-L309 VanDerWaalsContact C-N 3.34Å; T307-F310 WeakPolarHBondContact O-CB 3.29Å; T307-F310 PolarHBondContact O-N 2.99Å; T307-L311 PolarHBondContact O-N 3.24Å; T307-L311 VanDerWaalsContact O-N 3.13Å |
| 308 | L | 91.4 | Very high | 89.7 | Confident | 64 Ų | 64 | 38.2 Ų | 38.2 | 34% | 0.335 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 175.9 | -177.6 | 65.1 | 0 | 0 | 0 | 111.2 | Y304 T305 F310 L311 V312 | Y304-L308 HydrophobicContact CE1-CD2 4.49Å; Y304-L308 WeakPolarHBondContact O-CB 3.34Å; Y304-L308 PolarHBondContact O-N 3.38Å; T305-L308 PolarHBondContact O-N 3.48Å; L308-F310 VanDerWaalsContact C-N 3.31Å; L308-F310 PolarHBondContact O-N 2.87Å; L308-L311 WeakPolarHBondContact O-CB 3.33Å; L308-L311 PolarHBondContact O-N 3.45Å; L308-V312 WeakPolarHBondContact O-CG2 3.38Å; L308-V312 PolarHBondContact O-N 3.5Å |
| 309 | L | 91.3 | Very high | 89.9 | Confident | 35 Ų | 35 | 36.2 Ų | 36.2 | 18% | 0.183 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 175.2 | -71.9 | 166.6 | 0 | 0 | 0 | 111.7 | T305 I306 T307 L311 V312 L313 Q347 V350 F354 | T305-L309 HydrophobicContact CG2-CD1 4.1Å; T305-L309 HydrophobicContact CG2-CG 4.48Å; T305-L309 VanDerWaalsContact O-CG 3.29Å; T305-L309 WeakPolarHBondContact O-CG 3.07Å; T305-L309 PolarHBondContact O-N 3.3Å; I306-L309 PolarHBondContact O-N 2.74Å; T307-L309 VanDerWaalsContact C-N 3.34Å; L309-L311 VanDerWaalsContact C-N 3.34Å; L309-L311 PolarHBondContact O-N 3.41Å; L309-V312 PolarHBondContact O-N 3.47Å; L309-L313 WeakPolarHBondContact O-CB 3.26Å; L309-L313 WeakPolarHBondContact O-CG 3.3Å; L309-L313 PolarHBondContact O-N 2.91Å; L309-Q347 PolarHBondContact O-OE1 3.22Å; L309-V350 HydrophobicContact CB-CG1 4.38Å; L309-V350 HydrophobicContact CD1-CG1 3.93Å; L309-V350 HydrophobicContact CD2-CG1 4.5Å; L309-F354 HydrophobicContact CD1-CB 3.98Å; L309-F354 HydrophobicContact CD1-CD1 3.58Å; L309-F354 HydrophobicContact CD1-CD2 3.46Å; L309-F354 VanDerWaalsContact CD1-CD2 3.46Å; L309-F354 HydrophobicContact CD1-CE1 3.82Å; L309-F354 HydrophobicContact CD1-CE2 3.72Å; L309-F354 HydrophobicContact CD1-CG 3.37Å; L309-F354 HydrophobicContact CD1-CZ 3.88Å; L309-F354 HydrophobicContact CD2-CE2 4.44Å; L309-F354 HydrophobicContact CD2-CZ 4.3Å |
| 310 | F | 90.2 | Very high | 89.9 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.9 | -48.8 | 170.8 | -177 | -87.8 | 0 | 0 | 0 | 111.5 | A125 L129 V212 I306 T307 L308 V312 L313 W314 Q347 | A125-F310 HydrophobicContact CB-CE2 4.18Å; L129-F310 HydrophobicContact CD1-CB 3.74Å; L129-F310 HydrophobicContact CD1-CD1 4Å; L129-F310 HydrophobicContact CD1-CD2 3.8Å; L129-F310 HydrophobicContact CD1-CE2 4.41Å; L129-F310 HydrophobicContact CD1-CG 3.56Å; V212-F310 HydrophobicContact CG2-CE1 3.96Å; I306-F310 PolarHBondContact O-N 3.38Å; I306-F310 VanDerWaalsContact O-N 3.07Å; T307-F310 WeakPolarHBondContact O-CB 3.29Å; T307-F310 PolarHBondContact O-N 2.99Å; L308-F310 VanDerWaalsContact C-N 3.31Å; L308-F310 PolarHBondContact O-N 2.87Å; F310-V312 PolarHBondContact O-N 3.09Å; F310-L313 PolarHBondContact O-N 3.32Å; F310-W314 AromaticContact CD2-CD1 3.6Å; F310-W314 HydrophobicContact CD2-CG 4.47Å; F310-W314 AromaticContact CD2-NE1 3.7Å; F310-W314 HydrophobicContact CE1-CB 4.42Å; F310-W314 HydrophobicContact CE1-CG 4.16Å; F310-W314 AromaticContact CE2-CD1 3.54Å; F310-W314 HydrophobicContact CE2-CD2 4.33Å; F310-W314 AromaticContact CE2-CE2 3.89Å; F310-W314 HydrophobicContact CE2-CG 4.13Å; F310-W314 AromaticContact CE2-NE1 3.35Å; F310-W314 AromaticContact CG-CD1 3.96Å; F310-W314 AromaticContact CZ-CD1 3.83Å; F310-W314 HydrophobicContact CZ-CD2 4.14Å; F310-W314 AromaticContact CZ-CG 3.96Å; F310-W314 HydrophobicContact CZ-CG 3.96Å; F310-W314 AromaticContact CZ-NE1 3.9Å; F310-W314 VanDerWaalsContact O-CB 3.25Å; F310-W314 WeakPolarHBondContact O-CB 3.3Å; F310-W314 VanDerWaalsContact O-CD1 3.26Å; F310-W314 PolarHBondContact O-N 3.32Å; F310-Q347 HydrophobicContact CD2-CG 4.12Å |
| 311 | L | 91.8 | Very high | 89.8 | Confident | 52 Ų | 52 | 35.4 Ų | 35.4 | 27% | 0.272 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 176.2 | 178.4 | 67.5 | 0 | 0 | 0 | 112.3 | V212 H216 T307 L308 L309 L313 W314 A315 | V212-L311 HydrophobicContact CG1-CD1 3.65Å; H216-L311 WeakPolarHBondContact NE2-CB 3.26Å; H216-L311 WeakPolarHBondContact NE2-CD2 3.38Å; T307-L311 PolarHBondContact O-N 3.24Å; T307-L311 VanDerWaalsContact O-N 3.13Å; L308-L311 WeakPolarHBondContact O-CB 3.33Å; L308-L311 PolarHBondContact O-N 3.45Å; L309-L311 VanDerWaalsContact C-N 3.34Å; L309-L311 PolarHBondContact O-N 3.41Å; L311-L313 VanDerWaalsContact C-N 3.31Å; L311-L313 PolarHBondContact O-N 2.95Å; L311-W314 PolarHBondContact O-N 3Å; L311-A315 HydrophobicContact CD1-CB 4.24Å; L311-A315 WeakPolarHBondContact O-CA 3.43Å; L311-A315 WeakPolarHBondContact O-CB 3.33Å; L311-A315 PolarHBondContact O-N 3.23Å |
| 312 | V | 92.7 | Very high | 89.6 | Confident | 80 Ų | 80 | 29.9 Ų | 29.9 | 49% | 0.485 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.5 | -39.4 | -176.7 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | L308 L309 F310 P316 | L308-V312 WeakPolarHBondContact O-CG2 3.38Å; L308-V312 PolarHBondContact O-N 3.5Å; L309-V312 PolarHBondContact O-N 3.47Å; F310-V312 PolarHBondContact O-N 3.09Å; V312-P316 VanDerWaalsContact O-CD 3.26Å; V312-P316 WeakPolarHBondContact O-CD 3.35Å |
| 313 | L | 92.8 | Very high | 89.4 | Confident | 22 Ų | 22 | 35.9 Ų | 35.9 | 12% | 0.115 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -82.4 | -27.9 | -177.9 | -69.9 | 170.2 | 0 | 0 | 0 | 113 | L309 F310 L311 M343 Q347 V350 | L309-L313 WeakPolarHBondContact O-CB 3.26Å; L309-L313 WeakPolarHBondContact O-CG 3.3Å; L309-L313 PolarHBondContact O-N 2.91Å; F310-L313 PolarHBondContact O-N 3.32Å; L311-L313 VanDerWaalsContact C-N 3.31Å; L311-L313 PolarHBondContact O-N 2.95Å; L313-M343 HydrophobicContact CD2-CB 4.28Å; L313-M343 HydrophobicContact CD2-CE 4.25Å; L313-Q347 HydrophobicContact CD1-CB 4.37Å; L313-V350 HydrophobicContact CD1-CB 4.11Å; L313-V350 HydrophobicContact CD1-CG1 4.11Å; L313-V350 HydrophobicContact CD1-CG2 3.99Å |
| 314 | W | 91.6 | Very high | 88.8 | Confident | 28 Ų | 28 | 38.4 Ų | 38.4 | 11% | 0.106 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -93.8 | -27.3 | 178.8 | -78.8 | 81 | 0 | 0 | 0 | 114.6 | C122 F310 L311 Y317 I318 | C122-W314 HydrophobicContact CB-CH2 3.93Å; C122-W314 HydrophobicContact CB-CZ2 4.49Å; C122-W314 WeakPolarHBondContact SG-CH2 3.42Å; C122-W314 WeakPolarHBondContact SG-CZ3 3.28Å; F310-W314 AromaticContact CD2-CD1 3.6Å; F310-W314 HydrophobicContact CD2-CG 4.47Å; F310-W314 AromaticContact CD2-NE1 3.7Å; F310-W314 HydrophobicContact CE1-CB 4.42Å; F310-W314 HydrophobicContact CE1-CG 4.16Å; F310-W314 AromaticContact CE2-CD1 3.54Å; F310-W314 HydrophobicContact CE2-CD2 4.33Å; F310-W314 AromaticContact CE2-CE2 3.89Å; F310-W314 HydrophobicContact CE2-CG 4.13Å; F310-W314 AromaticContact CE2-NE1 3.35Å; F310-W314 AromaticContact CG-CD1 3.96Å; F310-W314 AromaticContact CZ-CD1 3.83Å; F310-W314 HydrophobicContact CZ-CD2 4.14Å; F310-W314 AromaticContact CZ-CG 3.96Å; F310-W314 HydrophobicContact CZ-CG 3.96Å; F310-W314 AromaticContact CZ-NE1 3.9Å; F310-W314 VanDerWaalsContact O-CB 3.25Å; F310-W314 WeakPolarHBondContact O-CB 3.3Å; F310-W314 VanDerWaalsContact O-CD1 3.26Å; F310-W314 PolarHBondContact O-N 3.32Å; L311-W314 PolarHBondContact O-N 3Å; W314-Y317 HydrophobicContact CE3-CD1 4.13Å; W314-Y317 HydrophobicContact CZ3-CD1 4.03Å; W314-Y317 HydrophobicContact CZ3-CE1 4.38Å; W314-Y317 WeakPolarHBondContact O-CB 3.32Å; W314-Y317 PolarHBondContact O-N 2.96Å; W314-Y317 VanDerWaalsContact O-N 3.09Å; W314-I318 HydrophobicContact CB-CD1 4.26Å; W314-I318 WeakPolarHBondContact O-CG1 3.26Å; W314-I318 PolarHBondContact O-N 3.38Å |
| 315 | A | 91 | Very high | 88.2 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 26% | 0.264 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -56.6 | -44 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L311 Y317 I318 V319 | L311-A315 HydrophobicContact CD1-CB 4.24Å; L311-A315 WeakPolarHBondContact O-CA 3.43Å; L311-A315 WeakPolarHBondContact O-CB 3.33Å; L311-A315 PolarHBondContact O-N 3.23Å; A315-Y317 VanDerWaalsContact C-N 3.26Å; A315-Y317 PolarHBondContact O-N 3.38Å; A315-I318 PolarHBondContact O-N 3.2Å; A315-V319 WeakPolarHBondContact O-CB 3.36Å; A315-V319 VanDerWaalsContact O-CG2 3.28Å; A315-V319 WeakPolarHBondContact O-CG2 3.5Å; A315-V319 PolarHBondContact O-N 3.35Å |
| 316 | P | 92.6 | Very high | 87.6 | Confident | 31 Ų | 31 | 39.1 Ų | 39.1 | 20% | 0.201 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.5 | -39 | 177.3 | -23.5 | 34.4 | 0 | 0 | 0 | 112.4 | V312 A320 Y336 T340 M343 | V312-P316 VanDerWaalsContact O-CD 3.26Å; V312-P316 WeakPolarHBondContact O-CD 3.35Å; P316-A320 WeakPolarHBondContact O-CB 3.28Å; P316-A320 PolarHBondContact O-N 3.35Å; P316-Y336 PolarHBondContact O-OH 3.27Å; P316-T340 HydrophobicContact CB-CG2 3.5Å; P316-T340 VanDerWaalsContact CB-CG2 3.5Å; P316-M343 HydrophobicContact CG-CE 4.43Å; P316-M343 HydrophobicContact CG-SD 4.16Å |
| 317 | Y | 89.1 | Confident | 86.8 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.6 | -48.8 | 177 | -174.8 | -110.2 | 0 | 0 | 0 | 111.2 | E186 I190 W314 A315 V319 A320 C321 V341 | E186-Y317 PolarHBondContact OE2-OH 3Å; I190-Y317 WeakPolarHBondContact CD1-OH 3.08Å; W314-Y317 HydrophobicContact CE3-CD1 4.13Å; W314-Y317 HydrophobicContact CZ3-CD1 4.03Å; W314-Y317 HydrophobicContact CZ3-CE1 4.38Å; W314-Y317 WeakPolarHBondContact O-CB 3.32Å; W314-Y317 PolarHBondContact O-N 2.96Å; W314-Y317 VanDerWaalsContact O-N 3.09Å; A315-Y317 VanDerWaalsContact C-N 3.26Å; A315-Y317 PolarHBondContact O-N 3.38Å; Y317-V319 VanDerWaalsContact C-N 3.28Å; Y317-V319 PolarHBondContact O-N 2.83Å; Y317-A320 WeakPolarHBondContact O-CA 3.19Å; Y317-A320 WeakPolarHBondContact O-CB 3.37Å; Y317-A320 PolarHBondContact O-N 3Å; Y317-C321 VanDerWaalsContact CE1-SG 3.55Å; Y317-C321 VanDerWaalsContact CZ-SG 3.6Å; Y317-C321 PolarHBondContact O-N 3.12Å; Y317-C321 PolarHBondContact O-SG 3.42Å; Y317-V341 HydrophobicContact CD2-CG2 3.98Å; Y317-V341 HydrophobicContact CE2-CG2 3.69Å |
| 318 | I | 87.5 | Confident | 85.2 | Confident | 19 Ų | 19 | 49 Ų | 49 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.3 | -44 | 176.8 | -66.3 | 169.2 | 0 | 0 | 0 | 110.9 | W314 A315 C321 F322 | W314-I318 HydrophobicContact CB-CD1 4.26Å; W314-I318 WeakPolarHBondContact O-CG1 3.26Å; W314-I318 PolarHBondContact O-N 3.38Å; A315-I318 PolarHBondContact O-N 3.2Å; I318-C321 PolarHBondContact O-N 2.92Å; I318-F322 HydrophobicContact CG2-CD2 3.69Å; I318-F322 HydrophobicContact CG2-CE2 3.52Å; I318-F322 WeakPolarHBondContact O-CD2 3.38Å; I318-F322 PolarHBondContact O-N 3.02Å |
| 319 | V | 88.8 | Confident | 83.5 | Confident | 77 Ų | 77 | 51.3 Ų | 51.3 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 176 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | A315 Y317 C321 F322 W323 | A315-V319 WeakPolarHBondContact O-CB 3.36Å; A315-V319 VanDerWaalsContact O-CG2 3.28Å; A315-V319 WeakPolarHBondContact O-CG2 3.5Å; A315-V319 PolarHBondContact O-N 3.35Å; Y317-V319 VanDerWaalsContact C-N 3.28Å; Y317-V319 PolarHBondContact O-N 2.83Å; V319-C321 VanDerWaalsContact C-N 3.33Å; V319-C321 PolarHBondContact O-N 3.25Å; V319-F322 PolarHBondContact O-N 3.48Å; V319-W323 WeakPolarHBondContact O-CB 3.47Å; V319-W323 PolarHBondContact O-N 3.49Å |
| 320 | A | 85.9 | Confident | 82 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P316 Y317 W323 R324 Y336 | P316-A320 WeakPolarHBondContact O-CB 3.28Å; P316-A320 PolarHBondContact O-N 3.35Å; Y317-A320 WeakPolarHBondContact O-CA 3.19Å; Y317-A320 WeakPolarHBondContact O-CB 3.37Å; Y317-A320 PolarHBondContact O-N 3Å; A320-W323 WeakPolarHBondContact O-CB 3.16Å; A320-W323 PolarHBondContact O-N 2.98Å; A320-R324 WeakPolarHBondContact O-CG 3.45Å; A320-R324 PolarHBondContact O-N 3.13Å; A320-Y336 HydrophobicContact CB-CE1 3.79Å |
| 321 | C | 82 | Confident | 81 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 176.7 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | H193 M205 Y317 I318 V319 W323 R324 V325 | H193-C321 WeakPolarHBondContact NE2-CB 3.4Å; H193-C321 PolarHBondContact NE2-SG 2.87Å; M205-C321 HydrophobicContact CE-CB 3.11Å; M205-C321 HydrophobicContact SD-CB 4.02Å; Y317-C321 VanDerWaalsContact CE1-SG 3.55Å; Y317-C321 VanDerWaalsContact CZ-SG 3.6Å; Y317-C321 PolarHBondContact O-N 3.12Å; Y317-C321 PolarHBondContact O-SG 3.42Å; I318-C321 PolarHBondContact O-N 2.92Å; V319-C321 VanDerWaalsContact C-N 3.33Å; V319-C321 PolarHBondContact O-N 3.25Å; C321-W323 VanDerWaalsContact C-N 3.34Å; C321-W323 PolarHBondContact O-N 3.14Å; C321-R324 PolarHBondContact O-N 3.11Å; C321-V325 WeakPolarHBondContact O-CG2 3.46Å; C321-V325 PolarHBondContact O-N 2.71Å |
| 322 | F | 82.9 | Confident | 80.3 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 17% | 0.171 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 174.7 | -81.5 | -64.6 | 0 | 0 | 0 | 112.1 | L202 M205 L206 A209 I318 V319 R324 V325 F326 | L202-F322 HydrophobicContact CD1-CE1 4.48Å; M205-F322 HydrophobicContact CB-CE1 4.03Å; M205-F322 HydrophobicContact CB-CZ 4.03Å; M205-F322 HydrophobicContact CE-CE2 4.44Å; L206-F322 HydrophobicContact CD2-CE1 4Å; L206-F322 HydrophobicContact CD2-CZ 4.12Å; L206-F322 HydrophobicContact CG-CE1 4.34Å; A209-F322 HydrophobicContact CB-CE2 4.09Å; A209-F322 HydrophobicContact CB-CZ 4.14Å; I318-F322 HydrophobicContact CG2-CD2 3.69Å; I318-F322 HydrophobicContact CG2-CE2 3.52Å; I318-F322 WeakPolarHBondContact O-CD2 3.38Å; I318-F322 PolarHBondContact O-N 3.02Å; V319-F322 PolarHBondContact O-N 3.48Å; F322-R324 VanDerWaalsContact C-N 3.33Å; F322-R324 PolarHBondContact O-N 2.96Å; F322-V325 PolarHBondContact O-N 3.03Å; F322-V325 VanDerWaalsContact O-N 3.1Å; F322-F326 HydrophobicContact CB-CD2 4.32Å; F322-F326 HydrophobicContact CB-CE2 4.42Å; F322-F326 HydrophobicContact CD1-CD2 4.34Å; F322-F326 AromaticContact CD1-CE2 3.68Å; F322-F326 HydrophobicContact CD1-CE2 3.68Å; F322-F326 HydrophobicContact CE1-CE2 4.44Å; F322-F326 HydrophobicContact CG-CE2 4.46Å; F322-F326 WeakPolarHBondContact O-CD2 3.33Å; F322-F326 PolarHBondContact O-N 2.87Å |
| 323 | W | 84.1 | Confident | 79.9 | Confident | 128 Ų | 128 | 59 Ų | 59 | 49% | 0.485 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 176.8 | -168.3 | -67 | 0 | 0 | 0 | 111.7 | V319 A320 C321 V325 F326 V327 I332 | V319-W323 WeakPolarHBondContact O-CB 3.47Å; V319-W323 PolarHBondContact O-N 3.49Å; A320-W323 WeakPolarHBondContact O-CB 3.16Å; A320-W323 PolarHBondContact O-N 2.98Å; C321-W323 VanDerWaalsContact C-N 3.34Å; C321-W323 PolarHBondContact O-N 3.14Å; W323-V325 PolarHBondContact O-N 3.08Å; W323-F326 PolarHBondContact O-N 3.4Å; W323-V327 HydrophobicContact CD2-CG2 4.43Å; W323-V327 HydrophobicContact CG-CG2 4.47Å; W323-V327 PolarHBondContact O-N 3.03Å; W323-I332 HydrophobicContact CB-CD1 4.04Å; W323-I332 HydrophobicContact CG-CD1 4Å; W323-I332 HydrophobicContact CG-CG1 4.31Å |
| 324 | R | 78.8 | Confident | 79.4 | Confident | 57 Ų | 57 | 62 Ų | 62 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.6 | -30.8 | 176.2 | -69.3 | -165.6 | -153.8 | 159 | 19 | 113.3 | E186 H193 A320 C321 F322 I332 L337 | E186-R324 VanDerWaalsContact CD-NH2 3.34Å; E186-R324 IonicContact OE1-CZ 2.78Å; E186-R324 IonicContact OE1-NH1 3.3Å; E186-R324 PolarHBondContact OE1-NH1 2.9Å; E186-R324 IonicContact OE1-NH2 2.69Å; E186-R324 PolarHBondContact OE1-NH2 3.28Å; H193-R324 HydrophobicContact CB-CB 4.29Å; A320-R324 WeakPolarHBondContact O-CG 3.45Å; A320-R324 PolarHBondContact O-N 3.13Å; C321-R324 PolarHBondContact O-N 3.11Å; F322-R324 VanDerWaalsContact C-N 3.33Å; F322-R324 PolarHBondContact O-N 2.96Å; R324-I332 HydrophobicContact CB-CD1 4.48Å; R324-I332 HydrophobicContact CG-CD1 3.37Å; R324-L337 VanDerWaalsContact CZ-CD1 3.48Å |
| 325 | V | 76.8 | Confident | 79.1 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -76.2 | -36.9 | 179.4 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | L196 L202 C321 F322 W323 | L196-V325 HydrophobicContact CD1-CG1 3.82Å; L202-V325 HydrophobicContact CD1-CG1 4.16Å; C321-V325 WeakPolarHBondContact O-CG2 3.46Å; C321-V325 PolarHBondContact O-N 2.71Å; F322-V325 PolarHBondContact O-N 3.03Å; F322-V325 VanDerWaalsContact O-N 3.1Å; W323-V325 PolarHBondContact O-N 3.08Å |
| 326 | F | 76.2 | Confident | 78.9 | Confident | 126 Ų | 126 | 73.4 Ų | 73.4 | 55% | 0.553 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -98.5 | -28 | -171.4 | -71.7 | -65.7 | 0 | 0 | 0 | 115.8 | L196 L202 F322 W323 | L196-F326 HydrophobicContact CD1-CD1 4.16Å; L196-F326 HydrophobicContact CD1-CE1 4.11Å; L202-F326 HydrophobicContact CD1-CE2 4.47Å; L202-F326 HydrophobicContact CD1-CZ 3.91Å; F322-F326 HydrophobicContact CB-CD2 4.32Å; F322-F326 HydrophobicContact CB-CE2 4.42Å; F322-F326 HydrophobicContact CD1-CD2 4.34Å; F322-F326 AromaticContact CD1-CE2 3.68Å; F322-F326 HydrophobicContact CD1-CE2 3.68Å; F322-F326 HydrophobicContact CE1-CE2 4.44Å; F322-F326 HydrophobicContact CG-CE2 4.46Å; F322-F326 WeakPolarHBondContact O-CD2 3.33Å; F322-F326 PolarHBondContact O-N 2.87Å; W323-F326 PolarHBondContact O-N 3.4Å |
| 327 | V | 73.6 | Confident | 78.7 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 35% | 0.345 | 36% | 0.362 | S | S | . | . | trans | -110.8 | 107.2 | -171.7 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | W323 C330 | W323-V327 HydrophobicContact CD2-CG2 4.43Å; W323-V327 HydrophobicContact CG-CG2 4.47Å; W323-V327 PolarHBondContact O-N 3.03Å; V327-C330 HydrophobicContact CG1-CB 3.91Å | ||
| 328 | Q | 59.3 | Low | 78.6 | Confident | 154 Ų | 154 | 72.3 Ų | 72.3 | 72% | 0.72 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -73.5 | -23.9 | 179.3 | -83 | -173.7 | -34.2 | 0 | 0 | 115 | H195 | H195-Q328 VanDerWaalsContact NE2-CG 3.26Å; H195-Q328 WeakPolarHBondContact NE2-CG 3.3Å; H195-Q328 PolarHBondContact NE2-NE2 2.74Å; H195-Q328 VanDerWaalsContact NE2-NE2 3.14Å |
| 329 | S | 54.1 | Low | 78.7 | Confident | 112 Ų | 112 | 76.4 Ų | 76.4 | 78% | 0.783 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -114.8 | -4.4 | -159.1 | -47.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 330 | C | 60.3 | Low | 78.8 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 51% | 0.507 | 36% | 0.364 | S | S | . | . | trans | -113.8 | 108.3 | 178.3 | -72.5 | 0 | 0 | 0 | 0 | 109.3 | V327 I332 | V327-C330 HydrophobicContact CG1-CB 3.91Å; C330-I332 PolarHBondContact O-N 3.33Å; C330-I332 VanDerWaalsContact O-N 3.1Å | ||
| 331 | T | 69.7 | Low | 79 | Confident | 140 Ų | 140 | 72.8 Ų | 72.8 | 86% | 0.859 | 36% | 0.364 | S | S | * | . | trans | -59.5 | 113.7 | 168.3 | 50.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 332 | I | 75.7 | Confident | 79.5 | Confident | 37 Ų | 37 | 73.5 Ų | 73.5 | 19% | 0.19 | 37% | 0.367 | C | S | . | . | trans | -62.1 | 128.3 | 173.7 | -59.7 | -180 | 0 | 0 | 0 | 107.2 | W323 R324 C330 H334 Y336 L337 | W323-I332 HydrophobicContact CB-CD1 4.04Å; W323-I332 HydrophobicContact CG-CD1 4Å; W323-I332 HydrophobicContact CG-CG1 4.31Å; R324-I332 HydrophobicContact CB-CD1 4.48Å; R324-I332 HydrophobicContact CG-CD1 3.37Å; C330-I332 PolarHBondContact O-N 3.33Å; C330-I332 VanDerWaalsContact O-N 3.1Å; I332-H334 PolarHBondContact O-N 2.88Å; I332-Y336 HydrophobicContact CG2-CD1 3.71Å; I332-L337 HydrophobicContact CG2-CD1 4.1Å | ||
| 333 | P | 85.3 | Confident | 79.9 | Confident | 85 Ų | 85 | 74.7 Ų | 74.7 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | trans | -60.9 | 126.1 | 178.3 | 21.4 | -29.6 | 0 | 0 | 0 | 109.7 | R335 Y336 L337 | P333-R335 PolarHBondContact O-N 3.34Å; P333-Y336 WeakPolarHBondContact O-CB 3.49Å; P333-Y336 PolarHBondContact O-N 3.2Å; P333-L337 PolarHBondContact O-N 3.1Å | ||
| 334 | H | 82.8 | Confident | 80.3 | Confident | 84 Ų | 84 | 68.8 Ų | 68.8 | 39% | 0.389 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -52.4 | -31.6 | -178.4 | -178.6 | 90.8 | 0 | 0 | 0 | 112.7 | D185 I332 L337 S338 | D185-H334 IonicContact OD1-CE1 3.96Å; D185-H334 IonicContact OD1-ND1 3.76Å; D185-H334 PolarHBondContact OD1-ND1 2.94Å; I332-H334 PolarHBondContact O-N 2.88Å; H334-L337 WeakPolarHBondContact O-CB 3.37Å; H334-L337 PolarHBondContact O-N 2.87Å; H334-S338 PolarHBondContact O-N 3.43Å |
| 335 | R | 84.4 | Confident | 80.9 | Confident | 210 Ų | 210 | 66.6 Ų | 66.6 | 79% | 0.792 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 173.9 | -62.7 | -173.7 | -174.4 | -152.5 | 1.5 | 113.2 | P333 L337 I339 | P333-R335 PolarHBondContact O-N 3.34Å; R335-L337 VanDerWaalsContact C-N 3.31Å; R335-I339 WeakPolarHBondContact O-CD1 3.33Å; R335-I339 VanDerWaalsContact O-CG1 3.24Å; R335-I339 WeakPolarHBondContact O-CG1 3.19Å; R335-I339 PolarHBondContact O-N 3.49Å |
| 336 | Y | 87.6 | Confident | 81.7 | Confident | 91 Ų | 91 | 67.3 Ų | 67.3 | 36% | 0.357 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 177.4 | 175.2 | -98.6 | 0 | 0 | 0 | 109.7 | P316 A320 I332 P333 S338 I339 T340 | P316-Y336 PolarHBondContact O-OH 3.27Å; A320-Y336 HydrophobicContact CB-CE1 3.79Å; I332-Y336 HydrophobicContact CG2-CD1 3.71Å; P333-Y336 WeakPolarHBondContact O-CB 3.49Å; P333-Y336 PolarHBondContact O-N 3.2Å; Y336-S338 PolarHBondContact O-N 3.5Å; Y336-I339 PolarHBondContact O-N 3.26Å; Y336-T340 HydrophobicContact CD1-CG2 4.18Å; Y336-T340 HydrophobicContact CD2-CG2 4.35Å; Y336-T340 HydrophobicContact CE1-CG2 3.79Å; Y336-T340 HydrophobicContact CE2-CG2 3.97Å; Y336-T340 HydrophobicContact CG-CG2 4.44Å; Y336-T340 WeakPolarHBondContact O-CG2 3.41Å; Y336-T340 PolarHBondContact O-N 2.92Å; Y336-T340 PolarHBondContact O-OG1 3.38Å |
| 337 | L | 87 | Confident | 82.5 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.1 | -52.9 | 179 | -153.6 | 84 | 0 | 0 | 0 | 112.7 | D185 E186 R324 I332 P333 H334 R335 I339 T340 V341 | D185-L337 HydrophobicContact CB-CD2 3.42Å; D185-L337 VanDerWaalsContact CB-CD2 3.42Å; D185-L337 WeakPolarHBondContact O-CD2 3.03Å; E186-L337 HydrophobicContact CG-CD2 3.77Å; E186-L337 HydrophobicContact CG-CG 4.47Å; R324-L337 VanDerWaalsContact CZ-CD1 3.48Å; I332-L337 HydrophobicContact CG2-CD1 4.1Å; P333-L337 PolarHBondContact O-N 3.1Å; H334-L337 WeakPolarHBondContact O-CB 3.37Å; H334-L337 PolarHBondContact O-N 2.87Å; R335-L337 VanDerWaalsContact C-N 3.31Å; L337-I339 VanDerWaalsContact C-N 3.35Å; L337-I339 PolarHBondContact O-N 3.44Å; L337-T340 PolarHBondContact O-N 3.08Å; L337-T340 PolarHBondContact O-OG1 2.97Å; L337-V341 WeakPolarHBondContact O-CG2 3.1Å; L337-V341 PolarHBondContact O-N 2.81Å |
| 338 | S | 87 | Confident | 83.3 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.8 | -51 | 176.2 | -170.4 | 0 | 0 | 0 | 0 | 109.6 | K40 H334 Y336 T340 V341 W342 | K40-S338 WeakPolarHBondContact CE-OG 3.44Å; H334-S338 PolarHBondContact O-N 3.43Å; Y336-S338 PolarHBondContact O-N 3.5Å; S338-T340 VanDerWaalsContact C-N 3.29Å; S338-T340 PolarHBondContact O-N 3.39Å; S338-V341 PolarHBondContact O-N 2.78Å; S338-W342 WeakPolarHBondContact O-CB 3.37Å; S338-W342 PolarHBondContact O-N 2.92Å; S338-W342 PolarHBondContact OG-NE1 3.36Å |
| 339 | I | 89.8 | Confident | 84.8 | Confident | 104 Ų | 104 | 51.7 Ų | 51.7 | 53% | 0.533 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.8 | -45.8 | -180 | -67.1 | 162.9 | 0 | 0 | 0 | 111.5 | R335 Y336 L337 W342 M343 | R335-I339 WeakPolarHBondContact O-CD1 3.33Å; R335-I339 VanDerWaalsContact O-CG1 3.24Å; R335-I339 WeakPolarHBondContact O-CG1 3.19Å; R335-I339 PolarHBondContact O-N 3.49Å; Y336-I339 PolarHBondContact O-N 3.26Å; L337-I339 VanDerWaalsContact C-N 3.35Å; L337-I339 PolarHBondContact O-N 3.44Å; I339-W342 PolarHBondContact O-N 3.02Å; I339-M343 HydrophobicContact CG2-CG 4.41Å; I339-M343 HydrophobicContact CG2-SD 4.06Å; I339-M343 VanDerWaalsContact O-CG 3.27Å; I339-M343 WeakPolarHBondContact O-CG 3.24Å; I339-M343 PolarHBondContact O-N 2.79Å |
| 340 | T | 91.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -41.1 | -178.8 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | P316 Y336 L337 S338 M343 S344 | P316-T340 HydrophobicContact CB-CG2 3.5Å; P316-T340 VanDerWaalsContact CB-CG2 3.5Å; Y336-T340 HydrophobicContact CD1-CG2 4.18Å; Y336-T340 HydrophobicContact CD2-CG2 4.35Å; Y336-T340 HydrophobicContact CE1-CG2 3.79Å; Y336-T340 HydrophobicContact CE2-CG2 3.97Å; Y336-T340 HydrophobicContact CG-CG2 4.44Å; Y336-T340 WeakPolarHBondContact O-CG2 3.41Å; Y336-T340 PolarHBondContact O-N 2.92Å; Y336-T340 PolarHBondContact O-OG1 3.38Å; L337-T340 PolarHBondContact O-N 3.08Å; L337-T340 PolarHBondContact O-OG1 2.97Å; S338-T340 VanDerWaalsContact C-N 3.29Å; S338-T340 PolarHBondContact O-N 3.39Å; T340-M343 PolarHBondContact O-N 2.62Å; T340-S344 PolarHBondContact O-N 3.46Å |
| 341 | V | 90.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 175 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | E186 Y317 L337 S338 M343 S344 F345 | E186-V341 HydrophobicContact CB-CG2 4.03Å; E186-V341 HydrophobicContact CG-CG2 3.83Å; Y317-V341 HydrophobicContact CD2-CG2 3.98Å; Y317-V341 HydrophobicContact CE2-CG2 3.69Å; L337-V341 WeakPolarHBondContact O-CG2 3.1Å; L337-V341 PolarHBondContact O-N 2.81Å; S338-V341 PolarHBondContact O-N 2.78Å; V341-M343 VanDerWaalsContact C-N 3.34Å; V341-M343 PolarHBondContact O-N 3.11Å; V341-S344 WeakPolarHBondContact O-CB 3.35Å; V341-S344 PolarHBondContact O-N 2.95Å; V341-S344 PolarHBondContact O-OG 3.31Å; V341-F345 HydrophobicContact CG1-CD2 4.36Å; V341-F345 HydrophobicContact CG1-CE1 4.34Å; V341-F345 HydrophobicContact CG1-CE2 3.71Å; V341-F345 HydrophobicContact CG1-CZ 3.71Å; V341-F345 PolarHBondContact O-N 3.17Å |
| 342 | W | 91.1 | Very high | 88.6 | Confident | 16 Ų | 16 | 38 Ų | 38 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.2 | -31.1 | -175.9 | -75.2 | 76.5 | 0 | 0 | 0 | 112.4 | K40 F43 L44 V98 S338 I339 S344 F345 A346 | K40-W342 HydrophobicContact CB-CH2 3.61Å; K40-W342 HydrophobicContact CB-CZ2 3.43Å; K40-W342 VanDerWaalsContact CB-CZ2 3.43Å; K40-W342 HydrophobicContact CD-CZ2 3.82Å; K40-W342 HydrophobicContact CG-CH2 4.14Å; K40-W342 HydrophobicContact CG-CZ2 3.49Å; K40-W342 VanDerWaalsContact CG-CZ2 3.49Å; K40-W342 WeakPolarHBondContact O-CH2 3.42Å; K40-W342 VanDerWaalsContact O-CZ3 3.31Å; K40-W342 WeakPolarHBondContact O-CZ3 3.43Å; F43-W342 AromaticContact CD1-CE3 3.58Å; F43-W342 HydrophobicContact CD1-CE3 3.58Å; F43-W342 HydrophobicContact CD1-CZ3 4.02Å; F43-W342 HydrophobicContact CE1-CE3 4.16Å; L44-W342 HydrophobicContact CB-CH2 3.69Å; L44-W342 HydrophobicContact CB-CZ3 3.52Å; L44-W342 HydrophobicContact CD1-CH2 4.38Å; L44-W342 HydrophobicContact CD1-CZ3 3.94Å; L44-W342 HydrophobicContact CD2-CH2 4.07Å; L44-W342 HydrophobicContact CD2-CZ3 4.43Å; L44-W342 HydrophobicContact CG-CH2 4.27Å; L44-W342 HydrophobicContact CG-CZ3 4.15Å; V98-W342 HydrophobicContact CG2-CZ2 4.16Å; S338-W342 WeakPolarHBondContact O-CB 3.37Å; S338-W342 PolarHBondContact O-N 2.92Å; S338-W342 PolarHBondContact OG-NE1 3.36Å; I339-W342 PolarHBondContact O-N 3.02Å; W342-S344 VanDerWaalsContact C-N 3.32Å; W342-F345 HydrophobicContact CD2-CD2 4.45Å; W342-F345 HydrophobicContact CE3-CD2 4.27Å; W342-F345 PolarHBondContact O-N 3.32Å; W342-A346 PolarHBondContact O-N 2.99Å |
| 343 | M | 92.4 | Very high | 89.2 | Confident | 63 Ų | 63 | 39.9 Ų | 39.9 | 31% | 0.31 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 167.6 | -72.6 | 179.1 | 91.1 | 0 | 0 | 111.8 | L313 P316 I339 T340 V341 F345 A346 Q347 | L313-M343 HydrophobicContact CD2-CB 4.28Å; L313-M343 HydrophobicContact CD2-CE 4.25Å; P316-M343 HydrophobicContact CG-CE 4.43Å; P316-M343 HydrophobicContact CG-SD 4.16Å; I339-M343 HydrophobicContact CG2-CG 4.41Å; I339-M343 HydrophobicContact CG2-SD 4.06Å; I339-M343 VanDerWaalsContact O-CG 3.27Å; I339-M343 WeakPolarHBondContact O-CG 3.24Å; I339-M343 PolarHBondContact O-N 2.79Å; T340-M343 PolarHBondContact O-N 2.62Å; V341-M343 VanDerWaalsContact C-N 3.34Å; V341-M343 PolarHBondContact O-N 3.11Å; M343-F345 VanDerWaalsContact C-N 3.3Å; M343-F345 PolarHBondContact O-N 2.95Å; M343-A346 PolarHBondContact O-N 3.04Å; M343-Q347 PolarHBondContact O-N 3.13Å |
| 344 | S | 92.1 | Very high | 89.3 | Confident | 5 Ų | 5 | 39 Ų | 39 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -34.6 | 176.7 | 83.9 | 0 | 0 | 0 | 0 | 112.4 | T340 V341 W342 Q347 | T340-S344 PolarHBondContact O-N 3.46Å; V341-S344 WeakPolarHBondContact O-CB 3.35Å; V341-S344 PolarHBondContact O-N 2.95Å; V341-S344 PolarHBondContact O-OG 3.31Å; W342-S344 VanDerWaalsContact C-N 3.32Å; S344-Q347 VanDerWaalsContact O-CB 3.25Å; S344-Q347 WeakPolarHBondContact O-CB 3.27Å |
| 345 | F | 92.4 | Very high | 89.5 | Confident | 10 Ų | 10 | 35 Ų | 35 | 4% | 0.044 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.9 | -40.6 | 175.6 | -64.4 | -20.6 | 0 | 0 | 0 | 112.3 | L44 I47 F91 V94 V341 W342 M343 Q347 A348 | L44-F345 HydrophobicContact CD1-CD2 4.11Å; I47-F345 HydrophobicContact CD1-CB 4.25Å; F91-F345 HydrophobicContact CD1-CD1 4.47Å; F91-F345 HydrophobicContact CE1-CB 4.26Å; F91-F345 AromaticContact CE1-CD1 3.62Å; F91-F345 HydrophobicContact CE1-CD1 3.62Å; F91-F345 HydrophobicContact CE1-CE1 4.15Å; F91-F345 HydrophobicContact CE1-CG 4.02Å; F91-F345 HydrophobicContact CZ-CB 4.06Å; F91-F345 HydrophobicContact CZ-CD1 4.18Å; F91-F345 HydrophobicContact CZ-CG 4.32Å; V94-F345 HydrophobicContact CG1-CE2 3.9Å; V94-F345 HydrophobicContact CG1-CZ 4.2Å; V94-F345 HydrophobicContact CG2-CZ 4.38Å; V341-F345 HydrophobicContact CG1-CD2 4.36Å; V341-F345 HydrophobicContact CG1-CE1 4.34Å; V341-F345 HydrophobicContact CG1-CE2 3.71Å; V341-F345 HydrophobicContact CG1-CZ 3.71Å; V341-F345 PolarHBondContact O-N 3.17Å; W342-F345 HydrophobicContact CD2-CD2 4.45Å; W342-F345 HydrophobicContact CE3-CD2 4.27Å; W342-F345 PolarHBondContact O-N 3.32Å; M343-F345 VanDerWaalsContact C-N 3.3Å; M343-F345 PolarHBondContact O-N 2.95Å; F345-Q347 PolarHBondContact O-N 2.91Å; F345-Q347 VanDerWaalsContact O-N 3.09Å; F345-A348 WeakPolarHBondContact O-CB 2.98Å; F345-A348 PolarHBondContact O-N 3.16Å |
| 346 | A | 92.6 | Very high | 89.7 | Confident | 19 Ų | 19 | 26.3 Ų | 26.3 | 16% | 0.157 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.3 | -26.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I47 W342 M343 A348 G349 V350 | I47-A346 HydrophobicContact CD1-CB 4.3Å; W342-A346 PolarHBondContact O-N 2.99Å; M343-A346 PolarHBondContact O-N 3.04Å; A346-A348 PolarHBondContact O-N 3.02Å; A346-A348 VanDerWaalsContact O-N 3.11Å; A346-G349 PolarHBondContact O-N 2.92Å; A346-G349 VanDerWaalsContact O-N 3.09Å; A346-V350 WeakPolarHBondContact O-CG2 3.5Å; A346-V350 PolarHBondContact O-N 3.44Å; A346-V350 VanDerWaalsContact O-N 3.1Å |
| 347 | Q | 92.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -47.1 | -40.8 | 172.2 | -176 | 67 | 27 | 0 | 0 | 113 | L309 F310 L313 M343 S344 F345 G349 V350 N351 | L309-Q347 PolarHBondContact O-OE1 3.22Å; F310-Q347 HydrophobicContact CD2-CG 4.12Å; L313-Q347 HydrophobicContact CD1-CB 4.37Å; M343-Q347 PolarHBondContact O-N 3.13Å; S344-Q347 VanDerWaalsContact O-CB 3.25Å; S344-Q347 WeakPolarHBondContact O-CB 3.27Å; F345-Q347 PolarHBondContact O-N 2.91Å; F345-Q347 VanDerWaalsContact O-N 3.09Å; Q347-G349 VanDerWaalsContact C-N 3.29Å; Q347-G349 PolarHBondContact O-N 3.49Å; Q347-V350 PolarHBondContact O-N 3.28Å; Q347-N351 PolarHBondContact NE2-OD1 2.96Å; Q347-N351 PolarHBondContact O-N 3.45Å |
| 348 | A | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.6 | -41.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I47 S51 N55 F91 F345 A346 P352 | I47-A348 HydrophobicContact CG2-CB 4.45Å; S51-A348 WeakPolarHBondContact OG-CB 3.48Å; S51-A348 PolarHBondContact OG-O 3.5Å; N55-A348 PolarHBondContact ND2-O 3.04Å; N55-A348 VanDerWaalsContact ND2-O 3.12Å; F91-A348 HydrophobicContact CE2-CB 3.66Å; F91-A348 HydrophobicContact CZ-CB 3.91Å; F345-A348 WeakPolarHBondContact O-CB 2.98Å; F345-A348 PolarHBondContact O-N 3.16Å; A346-A348 PolarHBondContact O-N 3.02Å; A346-A348 VanDerWaalsContact O-N 3.11Å; A348-P352 WeakPolarHBondContact O-CD 3.33Å |
| 349 | G | 89.8 | Confident | 89.3 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 6% | 0.062 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -83.7 | -27.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A346 Q347 P352 I353 | A346-G349 PolarHBondContact O-N 2.92Å; A346-G349 VanDerWaalsContact O-N 3.09Å; Q347-G349 VanDerWaalsContact C-N 3.29Å; Q347-G349 PolarHBondContact O-N 3.49Å; G349-P352 WeakPolarHBondContact O-CD 3.34Å; G349-I353 WeakPolarHBondContact O-CD1 2.98Å; G349-I353 WeakPolarHBondContact O-CG1 3.33Å |
| 350 | V | 90.1 | Very high | 88.9 | Confident | 32 Ų | 32 | 28.2 Ų | 28.2 | 19% | 0.194 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.2 | -39.3 | -178.8 | 169.1 | 0 | 0 | 0 | 0 | 111.7 | L309 L313 A346 Q347 I353 F354 | L309-V350 HydrophobicContact CB-CG1 4.38Å; L309-V350 HydrophobicContact CD1-CG1 3.93Å; L309-V350 HydrophobicContact CD2-CG1 4.5Å; L313-V350 HydrophobicContact CD1-CB 4.11Å; L313-V350 HydrophobicContact CD1-CG1 4.11Å; L313-V350 HydrophobicContact CD1-CG2 3.99Å; A346-V350 WeakPolarHBondContact O-CG2 3.5Å; A346-V350 PolarHBondContact O-N 3.44Å; A346-V350 VanDerWaalsContact O-N 3.1Å; Q347-V350 PolarHBondContact O-N 3.28Å; V350-I353 PolarHBondContact O-N 2.95Å; V350-F354 HydrophobicContact CG1-CD2 3.55Å; V350-F354 HydrophobicContact CG1-CE2 3.7Å; V350-F354 WeakPolarHBondContact O-CD2 3.17Å; V350-F354 PolarHBondContact O-N 2.8Å; V350-F354 VanDerWaalsContact O-N 3.13Å |
| 351 | N | 85.5 | Confident | 88.5 | Confident | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -49.3 | -60.4 | -179.1 | -77.6 | -11.9 | 0 | 0 | 0 | 113.7 | D83 Q347 I353 F354 C355 | D83-N351 PolarHBondContact OD2-ND2 3.45Å; Q347-N351 PolarHBondContact NE2-OD1 2.96Å; Q347-N351 PolarHBondContact O-N 3.45Å; N351-I353 VanDerWaalsContact C-N 3.33Å; N351-I353 PolarHBondContact O-N 3.46Å; N351-F354 PolarHBondContact O-N 2.97Å; N351-C355 PolarHBondContact O-N 3.29Å; N351-C355 PolarHBondContact O-SG 2.91Å |
| 352 | P | 88.1 | Confident | 88.1 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.7 | -31.6 | -176.8 | 25.9 | -35.4 | 0 | 0 | 0 | 113.4 | G54 N55 V58 A348 G349 C355 L356 | G54-P352 WeakPolarHBondContact O-CB 3.24Å; N55-P352 WeakPolarHBondContact OD1-CD 3.11Å; V58-P352 HydrophobicContact CG2-CB 4.08Å; A348-P352 WeakPolarHBondContact O-CD 3.33Å; G349-P352 WeakPolarHBondContact O-CD 3.34Å; P352-C355 PolarHBondContact O-N 3.41Å; P352-L356 WeakPolarHBondContact O-CG 3.34Å; P352-L356 PolarHBondContact O-N 2.94Å |
| 353 | I | 88.6 | Confident | 87.9 | Confident | 75 Ų | 75 | 34.2 Ų | 34.2 | 39% | 0.385 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.5 | -51.3 | 177.6 | -65.9 | 171.3 | 0 | 0 | 0 | 109.9 | V50 G349 V350 N351 C355 L356 L357 | V50-I353 HydrophobicContact CG1-CD1 3.82Å; V50-I353 HydrophobicContact CG1-CG1 4.34Å; G349-I353 WeakPolarHBondContact O-CD1 2.98Å; G349-I353 WeakPolarHBondContact O-CG1 3.33Å; V350-I353 PolarHBondContact O-N 2.95Å; N351-I353 VanDerWaalsContact C-N 3.33Å; N351-I353 PolarHBondContact O-N 3.46Å; I353-C355 VanDerWaalsContact C-N 3.34Å; I353-C355 PolarHBondContact O-N 3.42Å; I353-L356 PolarHBondContact O-N 3.33Å; I353-L357 HydrophobicContact CG2-CD1 3.74Å; I353-L357 HydrophobicContact CG2-CG 4.31Å; I353-L357 WeakPolarHBondContact O-CB 3.27Å; I353-L357 VanDerWaalsContact O-CG 3.29Å; I353-L357 WeakPolarHBondContact O-CG 3.32Å; I353-L357 PolarHBondContact O-N 3.48Å |
| 354 | F | 88 | Confident | 87.6 | Confident | 66 Ų | 66 | 36.6 Ų | 36.6 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70 | -32.7 | -179.2 | -82 | -92.5 | 0 | 0 | 0 | 112.4 | T305 L309 V350 N351 L356 L357 L358 | T305-F354 HydrophobicContact CG2-CD1 4.2Å; L309-F354 HydrophobicContact CD1-CB 3.98Å; L309-F354 HydrophobicContact CD1-CD1 3.58Å; L309-F354 HydrophobicContact CD1-CD2 3.46Å; L309-F354 VanDerWaalsContact CD1-CD2 3.46Å; L309-F354 HydrophobicContact CD1-CE1 3.82Å; L309-F354 HydrophobicContact CD1-CE2 3.72Å; L309-F354 HydrophobicContact CD1-CG 3.37Å; L309-F354 HydrophobicContact CD1-CZ 3.88Å; L309-F354 HydrophobicContact CD2-CE2 4.44Å; L309-F354 HydrophobicContact CD2-CZ 4.3Å; V350-F354 HydrophobicContact CG1-CD2 3.55Å; V350-F354 HydrophobicContact CG1-CE2 3.7Å; V350-F354 WeakPolarHBondContact O-CD2 3.17Å; V350-F354 PolarHBondContact O-N 2.8Å; V350-F354 VanDerWaalsContact O-N 3.13Å; N351-F354 PolarHBondContact O-N 2.97Å; F354-L356 VanDerWaalsContact C-N 3.35Å; F354-L356 PolarHBondContact O-N 3.49Å; F354-L357 PolarHBondContact O-N 2.97Å; F354-L358 HydrophobicContact CB-CD1 4.39Å; F354-L358 HydrophobicContact CD1-CD1 4.19Å; F354-L358 VanDerWaalsContact O-CB 3.27Å; F354-L358 WeakPolarHBondContact O-CB 3.12Å; F354-L358 VanDerWaalsContact O-CG 3.27Å; F354-L358 WeakPolarHBondContact O-CG 3.33Å; F354-L358 PolarHBondContact O-N 3.16Å |
| 355 | C | 86.7 | Confident | 87.2 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.3 | -47.4 | 170 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | V58 L76 I306 N351 P352 I353 N359 | V58-C355 HydrophobicContact CG2-CB 4.48Å; L76-C355 VanDerWaalsContact CD1-SG 3.52Å; I306-C355 WeakPolarHBondContact CD1-SG 3.28Å; N351-C355 PolarHBondContact O-N 3.29Å; N351-C355 PolarHBondContact O-SG 2.91Å; P352-C355 PolarHBondContact O-N 3.41Å; I353-C355 VanDerWaalsContact C-N 3.34Å; I353-C355 PolarHBondContact O-N 3.42Å; C355-N359 WeakPolarHBondContact O-CB 3.34Å; C355-N359 PolarHBondContact O-N 2.95Å |
| 356 | L | 87.2 | Confident | 86.9 | Confident | 28 Ų | 28 | 38.6 Ų | 38.6 | 15% | 0.147 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.1 | -37.2 | 179.6 | -70 | 172.5 | 0 | 0 | 0 | 112.6 | L57 V58 L61 P352 I353 F354 L362 R363 | L57-L356 HydrophobicContact CD2-CD1 4.11Å; V58-L356 HydrophobicContact CG2-CD1 4.2Å; V58-L356 HydrophobicContact CG2-CD2 3.91Å; V58-L356 HydrophobicContact CG2-CG 3.79Å; L61-L356 HydrophobicContact CD1-CD2 3.94Å; P352-L356 WeakPolarHBondContact O-CG 3.34Å; P352-L356 PolarHBondContact O-N 2.94Å; I353-L356 PolarHBondContact O-N 3.33Å; F354-L356 VanDerWaalsContact C-N 3.35Å; F354-L356 PolarHBondContact O-N 3.49Å; L356-L362 HydrophobicContact CD2-CB 4.34Å; L356-R363 WeakPolarHBondContact O-CD 3Å; L356-R363 WeakPolarHBondContact O-CG 3.19Å |
| 357 | L | 86.4 | Confident | 86.6 | Confident | 101 Ų | 101 | 43.2 Ų | 43.2 | 53% | 0.529 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -71.2 | -42 | -179.2 | -70.9 | 175.6 | 0 | 0 | 0 | 112.7 | I353 F354 | I353-L357 HydrophobicContact CG2-CD1 3.74Å; I353-L357 HydrophobicContact CG2-CG 4.31Å; I353-L357 WeakPolarHBondContact O-CB 3.27Å; I353-L357 VanDerWaalsContact O-CG 3.29Å; I353-L357 WeakPolarHBondContact O-CG 3.32Å; I353-L357 PolarHBondContact O-N 3.48Å; F354-L357 PolarHBondContact O-N 2.97Å |
| 358 | L | 84.2 | Confident | 86.1 | Confident | 73 Ų | 73 | 44.8 Ų | 44.8 | 38% | 0.382 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -87.3 | -22.1 | -172.3 | -61.8 | 176.1 | 0 | 0 | 0 | 113.2 | M302 T305 F354 | M302-L358 HydrophobicContact CB-CB 4.14Å; M302-L358 HydrophobicContact CG-CB 3.88Å; M302-L358 HydrophobicContact CG-CD1 4.4Å; T305-L358 HydrophobicContact CG2-CD1 3.67Å; F354-L358 HydrophobicContact CB-CD1 4.39Å; F354-L358 HydrophobicContact CD1-CD1 4.19Å; F354-L358 VanDerWaalsContact O-CB 3.27Å; F354-L358 WeakPolarHBondContact O-CB 3.12Å; F354-L358 VanDerWaalsContact O-CG 3.27Å; F354-L358 WeakPolarHBondContact O-CG 3.33Å; F354-L358 PolarHBondContact O-N 3.16Å |
| 359 | N | 84.4 | Confident | 85.4 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | trans | -93.6 | 110.1 | -179.1 | -158.9 | -44.2 | 0 | 0 | 0 | 112 | Y73 M302 C355 D361 L362 R363 | Y73-N359 VanDerWaalsContact CE1-ND2 3.3Å; Y73-N359 WeakPolarHBondContact CE1-ND2 3.11Å; Y73-N359 PolarHBondContact OH-ND2 3.26Å; Y73-N359 PolarHBondContact OH-OD1 3.43Å; M302-N359 HydrophobicContact SD-CB 3.53Å; M302-N359 VanDerWaalsContact SD-CB 3.53Å; M302-N359 PolarHBondContact SD-ND2 3.45Å; M302-N359 VanDerWaalsContact SD-ND2 3.44Å; C355-N359 WeakPolarHBondContact O-CB 3.34Å; C355-N359 PolarHBondContact O-N 2.95Å; N359-D361 VanDerWaalsContact C-N 3.31Å; N359-D361 PolarHBondContact O-N 3.2Å; N359-D361 WeakPolarHBondContact OD1-CA 3.5Å; N359-D361 WeakPolarHBondContact OD1-CB 3.16Å; N359-D361 PolarHBondContact OD1-N 2.99Å; N359-L362 HydrophobicContact CB-CB 3.95Å; N359-L362 HydrophobicContact CB-CD1 3.75Å; N359-L362 HydrophobicContact CB-CG 3.95Å; N359-L362 PolarHBondContact OD1-N 3.41Å; N359-L362 VanDerWaalsContact OD1-N 3.14Å; N359-R363 WeakPolarHBondContact O-CG 3.34Å; N359-R363 PolarHBondContact O-N 3.03Å | ||
| 360 | E | 81.4 | Confident | 84.8 | Confident | 81 Ų | 81 | 53.1 Ų | 53.1 | 38% | 0.379 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.6 | -33.6 | 174.9 | -76 | 177.3 | 164.9 | 0 | 0 | 113 | R298 R363 K364 | R298-E360 IonicContact CZ-OE2 3.87Å; R298-E360 IonicContact NH1-OE2 2.72Å; R298-E360 PolarHBondContact NH1-OE2 3.44Å; E360-R363 VanDerWaalsContact CG-NH2 3.35Å; E360-R363 PolarHBondContact O-N 2.84Å; E360-K364 VanDerWaalsContact O-CG 3.27Å; E360-K364 WeakPolarHBondContact O-CG 3.47Å; E360-K364 PolarHBondContact O-N 3.41Å |
| 361 | D | 81.9 | Confident | 83.5 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -72.2 | -46.2 | -177.2 | -58.3 | -34.5 | 0 | 0 | 0 | 110 | L68 N359 R363 K364 V365 | L68-D361 HydrophobicContact CD2-CB 3.84Å; N359-D361 VanDerWaalsContact C-N 3.31Å; N359-D361 PolarHBondContact O-N 3.2Å; N359-D361 WeakPolarHBondContact OD1-CA 3.5Å; N359-D361 WeakPolarHBondContact OD1-CB 3.16Å; N359-D361 PolarHBondContact OD1-N 2.99Å; D361-R363 VanDerWaalsContact C-N 3.27Å; D361-R363 PolarHBondContact O-N 2.98Å; D361-K364 WeakPolarHBondContact O-CB 3.37Å; D361-K364 PolarHBondContact O-N 3.1Å; D361-K364 VanDerWaalsContact O-N 3.09Å; D361-K364 IonicContact OD1-NZ 3.36Å; D361-K364 PolarHBondContact OD1-NZ 3.17Å; D361-V365 WeakPolarHBondContact O-CG2 3.41Å; D361-V365 PolarHBondContact O-N 3.38Å |
| 362 | L | 83.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.5 | -40 | 172.3 | -69.4 | 172.9 | 0 | 0 | 0 | 112 | V58 L61 V62 L68 Y73 L76 L356 N359 V365 L366 | V58-L362 HydrophobicContact CG1-CD1 4.43Å; L61-L362 HydrophobicContact CB-CD2 4.17Å; V62-L362 HydrophobicContact CG2-CD2 4.03Å; L68-L362 HydrophobicContact CD1-CD2 3.65Å; Y73-L362 HydrophobicContact CE1-CG 4.46Å; L76-L362 HydrophobicContact CD2-CD1 4.28Å; L356-L362 HydrophobicContact CD2-CB 4.34Å; N359-L362 HydrophobicContact CB-CB 3.95Å; N359-L362 HydrophobicContact CB-CD1 3.75Å; N359-L362 HydrophobicContact CB-CG 3.95Å; N359-L362 PolarHBondContact OD1-N 3.41Å; N359-L362 VanDerWaalsContact OD1-N 3.14Å; L362-V365 PolarHBondContact O-N 3.29Å; L362-L366 VanDerWaalsContact O-CB 3.27Å; L362-L366 WeakPolarHBondContact O-CB 3.25Å; L362-L366 PolarHBondContact O-N 2.87Å |
| 363 | R | 87.3 | Confident | 80.3 | Confident | 87 Ų | 87 | 65.8 Ų | 65.8 | 33% | 0.328 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 176.8 | -71.6 | -172.7 | -65 | 161.8 | -0.7 | 113.1 | L356 N359 E360 D361 R367 | L356-R363 WeakPolarHBondContact O-CD 3Å; L356-R363 WeakPolarHBondContact O-CG 3.19Å; N359-R363 WeakPolarHBondContact O-CG 3.34Å; N359-R363 PolarHBondContact O-N 3.03Å; E360-R363 VanDerWaalsContact CG-NH2 3.35Å; E360-R363 PolarHBondContact O-N 2.84Å; D361-R363 VanDerWaalsContact C-N 3.27Å; D361-R363 PolarHBondContact O-N 2.98Å; R363-R367 WeakPolarHBondContact O-CB 3.28Å; R363-R367 WeakPolarHBondContact O-CG 3.43Å; R363-R367 PolarHBondContact O-N 3.49Å |
| 364 | K | 84.9 | Confident | 78.4 | Confident | 114 Ų | 114 | 70.1 Ų | 70.1 | 50% | 0.496 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 174.9 | -73.1 | 166.7 | -170.1 | 165.3 | 0 | 110.4 | E360 D361 R367 A368 | E360-K364 VanDerWaalsContact O-CG 3.27Å; E360-K364 WeakPolarHBondContact O-CG 3.47Å; E360-K364 PolarHBondContact O-N 3.41Å; D361-K364 WeakPolarHBondContact O-CB 3.37Å; D361-K364 PolarHBondContact O-N 3.1Å; D361-K364 VanDerWaalsContact O-N 3.09Å; D361-K364 IonicContact OD1-NZ 3.36Å; D361-K364 PolarHBondContact OD1-NZ 3.17Å; K364-R367 PolarHBondContact O-N 2.71Å; K364-A368 PolarHBondContact O-N 3.18Å |
| 365 | V | 83.8 | Confident | 76.5 | Confident | 9 Ų | 9 | 75.9 Ų | 75.9 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 177.8 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | L61 D65 L68 D361 L362 R367 A368 H369 | L61-V365 HydrophobicContact CD2-CG1 3.9Å; D65-V365 HydrophobicContact CB-CG1 3.86Å; D65-V365 HydrophobicContact CB-CG2 4.16Å; D65-V365 WeakPolarHBondContact OD2-CG2 3.35Å; L68-V365 HydrophobicContact CD1-CG2 4.07Å; L68-V365 HydrophobicContact CG-CG2 4.48Å; D361-V365 WeakPolarHBondContact O-CG2 3.41Å; D361-V365 PolarHBondContact O-N 3.38Å; L362-V365 PolarHBondContact O-N 3.29Å; V365-R367 VanDerWaalsContact C-N 3.35Å; V365-R367 PolarHBondContact O-N 2.58Å; V365-A368 WeakPolarHBondContact O-CB 3.34Å; V365-A368 PolarHBondContact O-N 3.25Å; V365-A368 VanDerWaalsContact O-N 3.13Å; V365-H369 PolarHBondContact O-CD2 3.27Å; V365-H369 PolarHBondContact O-N 3.41Å; V365-H369 VanDerWaalsContact O-N 3.13Å |
| 366 | L | 86.6 | Confident | 74.8 | Confident | 47 Ų | 47 | 80.1 Ų | 80.1 | 25% | 0.246 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 175.2 | -180 | 62.7 | 0 | 0 | 0 | 111.9 | L57 L61 L362 A368 H369 L370 | L57-L366 HydrophobicContact CD1-CD1 4.18Å; L57-L366 HydrophobicContact CD2-CD1 4.3Å; L61-L366 HydrophobicContact CD1-CB 4.1Å; L61-L366 HydrophobicContact CD1-CD1 4.31Å; L61-L366 HydrophobicContact CD2-CB 4.31Å; L61-L366 HydrophobicContact CD2-CD1 4.38Å; L362-L366 VanDerWaalsContact O-CB 3.27Å; L362-L366 WeakPolarHBondContact O-CB 3.25Å; L362-L366 PolarHBondContact O-N 2.87Å; L366-A368 VanDerWaalsContact C-N 3.33Å; L366-A368 PolarHBondContact O-N 3.44Å; L366-H369 PolarHBondContact O-N 3.29Å; L366-L370 HydrophobicContact CG-CD1 4.15Å; L366-L370 PolarHBondContact O-N 3.26Å; L366-L370 VanDerWaalsContact O-N 3.07Å |
| 367 | R | 85.8 | Confident | 73 | Confident | 116 Ų | 116 | 86 Ų | 86 | 44% | 0.438 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 175.9 | -78 | -173.3 | -65.3 | -100.2 | -1.8 | 112.5 | R363 K364 V365 H369 L370 Y373 | R363-R367 WeakPolarHBondContact O-CB 3.28Å; R363-R367 WeakPolarHBondContact O-CG 3.43Å; R363-R367 PolarHBondContact O-N 3.49Å; K364-R367 PolarHBondContact O-N 2.71Å; V365-R367 VanDerWaalsContact C-N 3.35Å; V365-R367 PolarHBondContact O-N 2.58Å; R367-H369 PolarHBondContact O-N 2.92Å; R367-L370 PolarHBondContact O-N 2.03Å; R367-Y373 WeakPolarHBondContact O-CB 3.37Å |
| 368 | A | 81.8 | Confident | 71.2 | Confident | 37 Ų | 37 | 88.9 Ų | 88.9 | 31% | 0.306 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.8 | -28.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K364 V365 L366 Y373 W374 | K364-A368 PolarHBondContact O-N 3.18Å; V365-A368 WeakPolarHBondContact O-CB 3.34Å; V365-A368 PolarHBondContact O-N 3.25Å; V365-A368 VanDerWaalsContact O-N 3.13Å; L366-A368 VanDerWaalsContact C-N 3.33Å; L366-A368 PolarHBondContact O-N 3.44Å; A368-Y373 HydrophobicContact CB-CD1 4.42Å; A368-Y373 HydrophobicContact CB-CE1 4.34Å; A368-W374 PolarHBondContact O-NE1 3.01Å; A368-W374 VanDerWaalsContact O-NE1 3.11Å |
| 369 | H | 77.1 | Confident | 69.2 | Low | 101 Ų | 101 | 93 Ų | 93 | 47% | 0.468 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -90.7 | -10.8 | 176.5 | -70.8 | -62.5 | 0 | 0 | 0 | 114.3 | V365 L366 R367 | V365-H369 PolarHBondContact O-CD2 3.27Å; V365-H369 PolarHBondContact O-N 3.41Å; V365-H369 VanDerWaalsContact O-N 3.13Å; L366-H369 PolarHBondContact O-N 3.29Å; R367-H369 PolarHBondContact O-N 2.92Å |
| 370 | L | 77.9 | Confident | 66.9 | Low | 79 Ų | 79 | 99.1 Ų | 99.1 | 41% | 0.414 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -73.8 | 129.7 | 173.7 | -91.4 | 143.5 | 0 | 0 | 0 | 110.3 | L366 R367 T372 Y373 | L366-L370 HydrophobicContact CG-CD1 4.15Å; L366-L370 PolarHBondContact O-N 3.26Å; L366-L370 VanDerWaalsContact O-N 3.07Å; R367-L370 PolarHBondContact O-N 2.03Å; L370-T372 PolarHBondContact O-N 3.17Å; L370-Y373 WeakPolarHBondContact O-CB 3.06Å; L370-Y373 PolarHBondContact O-N 2.86Å |
| 371 | P | 62.8 | Low | 64.8 | Low | 101 Ų | 101 | 99.7 Ų | 99.7 | 66% | 0.656 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.8 | -25.8 | -176.1 | 16.7 | -28.6 | 0 | 0 | 0 | 113.8 | Y373 W374 | P371-Y373 VanDerWaalsContact C-N 3.31Å; P371-Y373 PolarHBondContact O-N 3.36Å; P371-W374 PolarHBondContact O-N 3.38Å |
| 372 | T | 56 | Low | 62.8 | Low | 96 Ų | 96 | 106.6 Ų | 106.6 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -30.9 | 177.1 | -23.4 | 0 | 0 | 0 | 0 | 113.2 | L370 R375 T376 | L370-T372 PolarHBondContact O-N 3.17Å; T372-R375 WeakPolarHBondContact O-CB 3.49Å; T372-R375 PolarHBondContact O-N 3.49Å; T372-T376 PolarHBondContact O-N 3.38Å; T372-T376 PolarHBondContact O-OG1 2.92Å; T372-T376 VanDerWaalsContact O-OG1 3.09Å |
| 373 | Y | 50.4 | Low | 60.6 | Low | 110 Ų | 110 | 113.2 Ų | 113.2 | 43% | 0.431 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.1 | -33.9 | 179.1 | -177.1 | -102.2 | 0 | 0 | 0 | 112.6 | R367 A368 L370 P371 R375 T376 K377 | R367-Y373 WeakPolarHBondContact O-CB 3.37Å; A368-Y373 HydrophobicContact CB-CD1 4.42Å; A368-Y373 HydrophobicContact CB-CE1 4.34Å; L370-Y373 WeakPolarHBondContact O-CB 3.06Å; L370-Y373 PolarHBondContact O-N 2.86Å; P371-Y373 VanDerWaalsContact C-N 3.31Å; P371-Y373 PolarHBondContact O-N 3.36Å; Y373-R375 PolarHBondContact O-N 3.23Å; Y373-T376 PolarHBondContact O-N 3.35Å; Y373-K377 HydrophobicContact CE1-CD 4.34Å; Y373-K377 PolarHBondContact O-N 3.1Å |
| 374 | W | 48.1 | Very low | 58.2 | Low | 165 Ų | 165 | 117.3 Ų | 117.3 | 63% | 0.625 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61 | -37.3 | 172.6 | -74.1 | 85.1 | 0 | 0 | 0 | 111.6 | A368 P371 Q378 | A368-W374 PolarHBondContact O-NE1 3.01Å; A368-W374 VanDerWaalsContact O-NE1 3.11Å; P371-W374 PolarHBondContact O-N 3.38Å; W374-Q378 PolarHBondContact O-N 3.2Å |
| 375 | R | 49.3 | Very low | 55.9 | Low | 188 Ų | 188 | 116.5 Ų | 116.5 | 71% | 0.709 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68 | -36.7 | 177.1 | -151.9 | 179.3 | -130.1 | 170.9 | 2.2 | 112.8 | T372 Y373 H379 | T372-R375 WeakPolarHBondContact O-CB 3.49Å; T372-R375 PolarHBondContact O-N 3.49Å; Y373-R375 PolarHBondContact O-N 3.23Å; R375-H379 PolarHBondContact O-CD2 3.35Å |
| 376 | T | 51.4 | Low | 53.7 | Low | 90 Ų | 90 | 126.3 Ų | 126.3 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77 | -35.1 | 178 | -33 | 0 | 0 | 0 | 0 | 112.4 | T372 Y373 Q378 H379 L380 | T372-T376 PolarHBondContact O-N 3.38Å; T372-T376 PolarHBondContact O-OG1 2.92Å; T372-T376 VanDerWaalsContact O-OG1 3.09Å; Y373-T376 PolarHBondContact O-N 3.35Å; T376-Q378 VanDerWaalsContact C-N 3.34Å; T376-H379 PolarHBondContact O-N 3.47Å; T376-L380 PolarHBondContact O-N 3.3Å |
| 377 | K | 47.5 | Very low | 51.2 | Low | 150 Ų | 150 | 130.2 Ų | 130.2 | 65% | 0.652 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.3 | -28 | 178.3 | -153.3 | -177.2 | -175.9 | -168.7 | 0 | 112.9 | Y373 H379 | Y373-K377 HydrophobicContact CE1-CD 4.34Å; Y373-K377 PolarHBondContact O-N 3.1Å; K377-H379 VanDerWaalsContact C-N 3.28Å |
| 378 | Q | 49.3 | Very low | 48.9 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 76% | 0.762 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -19 | 171.1 | -84.1 | 176.4 | -42.8 | 0 | 0 | 113.8 | W374 T376 | W374-Q378 PolarHBondContact O-N 3.2Å; T376-Q378 VanDerWaalsContact C-N 3.34Å |
| 379 | H | 42 | Very low | 47 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 73% | 0.731 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 1.6 | -177.5 | -88.5 | -63.7 | 0 | 0 | 0 | 114.6 | R375 T376 K377 P381 | R375-H379 PolarHBondContact O-CD2 3.35Å; T376-H379 PolarHBondContact O-N 3.47Å; K377-H379 VanDerWaalsContact C-N 3.28Å; H379-P381 WeakPolarHBondContact O-CD 3.43Å |
| 380 | L | 36.3 | Very low | 45.5 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 71% | 0.707 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -89.2 | 114.7 | 171.5 | -142.4 | 78.9 | 0 | 0 | 0 | 108.5 | T376 Q382 | T376-L380 PolarHBondContact O-N 3.3Å; L380-Q382 PolarHBondContact O-N 3.12Å |
| 381 | P | 38.1 | Very low | 43.8 | Very low | 93 Ų | 93 | 147.9 Ų | 147.9 | 60% | 0.604 | 74% | 0.74 | S | S | * | * | trans | -60.4 | 133.2 | 173.4 | 25.2 | -31.4 | 0 | 0 | 0 | 108.9 | H379 D383 | H379-P381 WeakPolarHBondContact O-CD 3.43Å; P381-D383 PolarHBondContact O-N 2.62Å | ||
| 382 | Q | 39.7 | Very low | 42.7 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | trans | -78.1 | 69.2 | 178.8 | -165 | 166.3 | -17.6 | 0 | 0 | 107.7 | L380 E384 | L380-Q382 PolarHBondContact O-N 3.12Å; Q382-E384 PolarHBondContact O-N 3.2Å | ||
| 383 | D | 37.3 | Very low | 41.9 | Very low | 139 Ų | 139 | 153.8 Ų | 153.8 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -73.1 | 112.6 | -179.5 | -79.3 | -19.2 | 0 | 0 | 0 | 110.6 | P381 | P381-D383 PolarHBondContact O-N 2.62Š| ||
| 384 | E | 36.2 | Very low | 41.4 | Very low | 174 Ų | 174 | 156.5 Ų | 156.5 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 56.3 | 92.2 | 152 | -61.3 | -166.5 | 148.1 | 0 | 0 | 118 | Q382 Y386 | Q382-E384 PolarHBondContact O-N 3.2Å; E384-Y386 PolarHBondContact O-N 3.33Å | ||
| 385 | A | 37.3 | Very low | 41 | Very low | 97 Ų | 97 | 155.9 Ų | 155.9 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -54.3 | 116.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | C387 | A385-C387 PolarHBondContact O-N 3.21Š| ||
| 386 | Y | 36.4 | Very low | 40.4 | Very low | 215 Ų | 215 | 153.6 Ų | 153.6 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -50.8 | 100.8 | 161 | -83.4 | -97.6 | 0 | 0 | 0 | 109.8 | E384 I388 | E384-Y386 PolarHBondContact O-N 3.33Å; Y386-I388 HydrophobicContact CD1-CD1 4.38Å; Y386-I388 HydrophobicContact CD1-CG1 4.44Å | ||
| 387 | C | 33.9 | Very low | 39.5 | Very low | 128 Ų | 128 | 158.5 Ų | 158.5 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -92.5 | 94.6 | 155.4 | -91.5 | 0 | 0 | 0 | 0 | 107.3 | A385 | A385-C387 PolarHBondContact O-N 3.21Š| ||
| 388 | I | 39 | Very low | 38.8 | Very low | 151 Ų | 151 | 159.3 Ų | 159.3 | 77% | 0.774 | 82% | 0.821 | S | S | * | * | trans | -93.2 | 113 | 156.9 | -58.7 | 179.6 | 0 | 0 | 0 | 105.3 | Y386 | Y386-I388 HydrophobicContact CD1-CD1 4.38Å; Y386-I388 HydrophobicContact CD1-CG1 4.44Å | ||
| 389 | M | 40.7 | Very low | 37.9 | Very low | 259 Ų | 259 | 158.9 Ų | 158.9 | 100% | 1.276 | 83% | 0.826 | S | S | * | * | trans | -127.2 | 0 | 160.4 | -140.3 | 179.8 | -166.3 | 0 | 0 | 108.5 |
Retrieved 389 of 389 residues in 127.8 ms
(Link to these results)