| 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 | 42.7 | Very low | 44.3 | Very low | 257 Ų | 257 | 119 Ų | 119 | 100% | 1.266 | 86% | 0.856 | S | S | * | * | 0 | 117.2 | 0 | -101.3 | 169.3 | 164.9 | 0 | 0 | 107.4 | |||||
| 2 | G | 36.4 | Very low | 45.4 | Very low | 80 Ų | 80 | 113.5 Ų | 113.5 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | 163.1 | 79.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 3 | A | 42.6 | Very low | 46.5 | Very low | 96 Ų | 96 | 114.1 Ų | 114.1 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | trans | -95.2 | 109.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | D | 41.3 | Very low | 47.9 | Very low | 168 Ų | 168 | 113.3 Ų | 113.3 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | trans | -112.3 | 100 | 163.1 | -79.3 | -22.3 | 0 | 0 | 0 | 108.2 | G6 | D4-G6 PolarHBondContact O-N 3.44Š| ||
| 5 | S | 51.2 | Low | 49.7 | Very low | 127 Ų | 127 | 111.9 Ų | 111.9 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -74.5 | 95.4 | 167 | 49.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 6 | G | 39.3 | Very low | 51.6 | Low | 71 Ų | 71 | 109.8 Ų | 109.8 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -99.5 | 118.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D4 | D4-G6 PolarHBondContact O-N 3.44Š| ||
| 7 | S | 41.6 | Very low | 53.4 | Low | 114 Ų | 114 | 107.9 Ų | 107.9 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -42.7 | 146.5 | 172.4 | 48.7 | 0 | 0 | 0 | 0 | 115.5 | A9 | S7-A9 PolarHBondContact O-N 3.37Š| ||
| 8 | G | 50.3 | Low | 54.8 | Low | 88 Ų | 88 | 110.3 Ų | 110.3 | 91% | 0.907 | 75% | 0.754 | S | S | * | * | trans | -46.4 | 104.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 9 | A | 42.3 | Very low | 55.9 | Low | 91 Ų | 91 | 110.8 Ų | 110.8 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -88.7 | 136.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | S7 | S7-A9 PolarHBondContact O-N 3.37Š| ||
| 10 | A | 50.7 | Low | 57 | Low | 86 Ų | 86 | 107.5 Ų | 107.5 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -46.2 | 142.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | G12 | A10-G12 PolarHBondContact O-N 3.4Š| ||
| 11 | P | 48.5 | Very low | 57.9 | Low | 131 Ų | 131 | 111.2 Ų | 111.2 | 85% | 0.851 | 73% | 0.73 | S | S | * | * | trans | -57.4 | 106.4 | -178.7 | 23.3 | -31.2 | 0 | 0 | 0 | 107.7 | ||||
| 12 | G | 57.4 | Low | 59.6 | Low | 53 Ų | 53 | 109.1 Ų | 109.1 | 55% | 0.546 | 71% | 0.708 | S | S | . | * | trans | -53.2 | 151.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108 | A10 A14 | A10-G12 PolarHBondContact O-N 3.4Å; G12-A14 PolarHBondContact O-N 3.32Å; G12-A14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | P | 60.6 | Low | 61.9 | Low | 121 Ų | 121 | 109.4 Ų | 109.4 | 79% | 0.786 | 69% | 0.688 | S | S | * | * | trans | -49.4 | 128.2 | -178.2 | 22.3 | -32.9 | 0 | 0 | 0 | 108.8 | V15 | P13-V15 PolarHBondContact O-N 3.15Š| ||
| 14 | A | 65.7 | Low | 63.6 | Low | 103 Ų | 103 | 116.8 Ų | 116.8 | 85% | 0.851 | 70% | 0.695 | S | S | * | * | trans | -52.8 | 109.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | G12 S16 | G12-A14 PolarHBondContact O-N 3.32Å; G12-A14 VanDerWaalsContact O-N 3.11Å; A14-S16 PolarHBondContact O-N 3.43Å; A14-S16 VanDerWaalsContact O-N 3.12Å | ||
| 15 | V | 74.2 | Confident | 65.7 | Low | 93 Ų | 93 | 110.8 Ų | 110.8 | 56% | 0.564 | 66% | 0.662 | S | S | * | * | trans | -72.2 | 109.9 | -178.9 | -179 | 0 | 0 | 0 | 0 | 106.4 | P13 P26 F27 | P13-V15 PolarHBondContact O-N 3.15Å; V15-P26 HydrophobicContact CB-CG 4.48Å; V15-F27 VanDerWaalsContact O-CZ 3.27Å; V15-F27 WeakPolarHBondContact O-CZ 3.49Å | ||
| 16 | S | 80.5 | Confident | 67.5 | Low | 77 Ų | 77 | 109.6 Ų | 109.6 | 54% | 0.538 | 65% | 0.651 | S | S | . | * | trans | -66.3 | 132.9 | 173 | 58.8 | 0 | 0 | 0 | 0 | 109.3 | A14 | A14-S16 PolarHBondContact O-N 3.43Å; A14-S16 VanDerWaalsContact O-N 3.12Å | ||
| 17 | W | 81.9 | Confident | 69.7 | Low | 78 Ų | 78 | 108.6 Ų | 108.6 | 30% | 0.295 | 63% | 0.627 | S | S | . | * | trans | -55.6 | 139.7 | 170.9 | 179.6 | 90.5 | 0 | 0 | 0 | 110.6 | K19 F27 Y31 D33 | W17-K19 HydrophobicContact CH2-CB 3.55Å; W17-K19 HydrophobicContact CH2-CD 4.45Å; W17-K19 HydrophobicContact CH2-CG 3.74Å; W17-K19 HydrophobicContact CZ2-CB 4.42Å; W17-K19 HydrophobicContact CZ3-CB 3.72Å; W17-K19 HydrophobicContact CZ3-CG 4.35Å; W17-F27 HydrophobicContact CB-CD2 4.04Å; W17-F27 HydrophobicContact CB-CE1 4.33Å; W17-F27 HydrophobicContact CB-CE2 3.68Å; W17-F27 HydrophobicContact CB-CZ 3.83Å; W17-F27 AromaticContact CD1-CD2 3.64Å; W17-F27 AromaticContact CD1-CG 3.84Å; W17-F27 HydrophobicContact CG-CD2 4.25Å; W17-F27 HydrophobicContact CG-CE2 4.36Å; W17-Y31 HydrophobicContact CB-CD1 4.3Å; W17-Y31 HydrophobicContact CB-CE1 3.7Å; W17-Y31 AromaticContact CD1-CD1 3.46Å; W17-Y31 VanDerWaalsContact CD1-CD1 3.46Å; W17-Y31 AromaticContact CD1-CE1 3.78Å; W17-Y31 HydrophobicContact CD2-CD1 4.47Å; W17-Y31 HydrophobicContact CD2-CE1 4.41Å; W17-Y31 AromaticContact CG-CD1 3.84Å; W17-Y31 HydrophobicContact CG-CD1 3.84Å; W17-Y31 AromaticContact CG-CE1 3.68Å; W17-Y31 HydrophobicContact CG-CE1 3.68Å; W17-Y31 AromaticContact NE1-CD1 3.89Å; W17-D33 HydrophobicContact CD2-CB 4.22Å; W17-D33 HydrophobicContact CE3-CB 3.7Å; W17-D33 HydrophobicContact CZ3-CB 4.09Å | ||
| 18 | R | 79.7 | Confident | 71.8 | Confident | 152 Ų | 152 | 107 Ų | 107 | 57% | 0.574 | 61% | 0.614 | S | S | * | * | trans | -123.3 | 139.9 | 177.6 | -64.5 | -178.3 | 180 | 176.2 | -0.6 | 109.9 | V20 Q25 | R18-V20 VanDerWaalsContact C-N 3.26Å; R18-V20 HydrophobicContact CB-CG2 4.11Å; R18-V20 PolarHBondContact O-N 3.48Å; R18-Q25 PolarHBondContact O-NE2 3.06Å; R18-Q25 PolarHBondContact O-OE1 3.3Å | ||
| 19 | K | 74.4 | Confident | 73.2 | Confident | 120 Ų | 120 | 111.3 Ų | 111.3 | 52% | 0.522 | 62% | 0.616 | S | S | . | * | trans | -79.5 | 72.4 | 177.3 | -165.6 | 179.9 | -178.2 | -169.7 | 0 | 111.2 | W17 P298 | W17-K19 HydrophobicContact CH2-CB 3.55Å; W17-K19 HydrophobicContact CH2-CD 4.45Å; W17-K19 HydrophobicContact CH2-CG 3.74Å; W17-K19 HydrophobicContact CZ2-CB 4.42Å; W17-K19 HydrophobicContact CZ3-CB 3.72Å; W17-K19 HydrophobicContact CZ3-CG 4.35Å; K19-P298 WeakPolarHBondContact CE-O 3.25Å; K19-P298 VanDerWaalsContact NZ-CB 3.34Å; K19-P298 PolarHBondContact NZ-O 3.46Å | ||
| 20 | V | 79.3 | Confident | 75.1 | Confident | 43 Ų | 43 | 113.3 Ų | 113.3 | 26% | 0.261 | 61% | 0.614 | S | S | . | * | trans | -127.9 | 119 | -179 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | R18 W22 E23 | R18-V20 VanDerWaalsContact C-N 3.26Å; R18-V20 HydrophobicContact CB-CG2 4.11Å; R18-V20 PolarHBondContact O-N 3.48Å; V20-W22 VanDerWaalsContact C-N 3.34Å; V20-W22 HydrophobicContact CG1-CD2 3.59Å; V20-W22 HydrophobicContact CG1-CE3 4.36Å; V20-W22 HydrophobicContact CG1-CG 3.78Å; V20-W22 HydrophobicContact CG1-CH2 4.4Å; V20-W22 HydrophobicContact CG1-CZ2 3.68Å; V20-E23 HydrophobicContact CB-CB 4.34Å; V20-E23 HydrophobicContact CG1-CB 3.83Å | ||
| 21 | L | 74.6 | Confident | 76.7 | Confident | 186 Ų | 186 | 113 Ų | 113 | 97% | 0.974 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -73.9 | -24.5 | -175 | -165.6 | 72.4 | 0 | 0 | 0 | 113.1 | ||
| 22 | W | 79.4 | Confident | 78.2 | Confident | 213 Ų | 213 | 111 Ų | 111 | 81% | 0.807 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -99.8 | -14.3 | -170.7 | 57.4 | -101.3 | 0 | 0 | 0 | 114.5 | V20 | V20-W22 VanDerWaalsContact C-N 3.34Å; V20-W22 HydrophobicContact CG1-CD2 3.59Å; V20-W22 HydrophobicContact CG1-CE3 4.36Å; V20-W22 HydrophobicContact CG1-CG 3.78Å; V20-W22 HydrophobicContact CG1-CH2 4.4Å; V20-W22 HydrophobicContact CG1-CZ2 3.68Å |
| 23 | E | 83.4 | Confident | 79.5 | Confident | 86 Ų | 86 | 110.2 Ų | 110.2 | 40% | 0.402 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -101.6 | 130.7 | -176 | -164.9 | 175.9 | -176.6 | 0 | 0 | 110.8 | V20 | V20-E23 HydrophobicContact CB-CB 4.34Å; V20-E23 HydrophobicContact CG1-CB 3.83Å |
| 24 | R | 80.2 | Confident | 80.5 | Confident | 251 Ų | 251 | 115.5 Ų | 115.5 | 95% | 0.947 | 57% | 0.568 | S | S | * | * | trans | -80 | 124.7 | 179.8 | -156 | 175.5 | -171.8 | 179.3 | 2.4 | 110.2 | ||||
| 25 | Q | 85.4 | Confident | 81.2 | Confident | 42 Ų | 42 | 118.1 Ų | 118.1 | 20% | 0.196 | 56% | 0.556 | C | S | . | * | trans | -120.4 | 156.9 | -174.4 | -65.8 | 176.2 | 57.9 | 0 | 0 | 111.6 | R18 F27 | R18-Q25 PolarHBondContact O-NE2 3.06Å; R18-Q25 PolarHBondContact O-OE1 3.3Å; Q25-F27 HydrophobicContact CB-CD2 4.02Å; Q25-F27 PolarHBondContact O-N 3.08Å | ||
| 26 | P | 87.8 | Confident | 81.6 | Confident | 102 Ų | 102 | 117 Ų | 117 | 66% | 0.662 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -79.1 | 41.8 | -177.9 | 35.5 | -37.9 | 0 | 0 | 0 | 112.5 | V15 | V15-P26 HydrophobicContact CB-CG 4.48Š|
| 27 | F | 85.3 | Confident | 81.7 | Confident | 51 Ų | 51 | 119.4 Ų | 119.4 | 22% | 0.224 | 55% | 0.55 | C | S | . | . | S | Bend | trans | -124.5 | 145.6 | 177.7 | -64.3 | -82.1 | 0 | 0 | 0 | 108.9 | V15 W17 Q25 Y31 | V15-F27 VanDerWaalsContact O-CZ 3.27Å; V15-F27 WeakPolarHBondContact O-CZ 3.49Å; W17-F27 HydrophobicContact CB-CD2 4.04Å; W17-F27 HydrophobicContact CB-CE1 4.33Å; W17-F27 HydrophobicContact CB-CE2 3.68Å; W17-F27 HydrophobicContact CB-CZ 3.83Å; W17-F27 AromaticContact CD1-CD2 3.64Å; W17-F27 AromaticContact CD1-CG 3.84Å; W17-F27 HydrophobicContact CG-CD2 4.25Å; W17-F27 HydrophobicContact CG-CE2 4.36Å; Q25-F27 HydrophobicContact CB-CD2 4.02Å; Q25-F27 PolarHBondContact O-N 3.08Å; F27-Y31 HydrophobicContact CB-CD1 4.13Å; F27-Y31 HydrophobicContact CB-CG 3.95Å; F27-Y31 AromaticContact CD1-CD1 3.82Å; F27-Y31 HydrophobicContact CD1-CD1 3.82Å; F27-Y31 AromaticContact CD1-CD2 3.8Å; F27-Y31 HydrophobicContact CD1-CD2 3.8Å; F27-Y31 AromaticContact CD1-CE1 3.82Å; F27-Y31 HydrophobicContact CD1-CE1 3.82Å; F27-Y31 AromaticContact CD1-CE2 3.78Å; F27-Y31 HydrophobicContact CD1-CE2 3.78Å; F27-Y31 AromaticContact CD1-CG 3.81Å; F27-Y31 HydrophobicContact CD1-CG 3.81Å; F27-Y31 AromaticContact CD1-CZ 3.8Å; F27-Y31 HydrophobicContact CE1-CE1 4.05Å; F27-Y31 HydrophobicContact CE1-CE2 4.09Å; F27-Y31 AromaticContact CE1-CZ 3.82Å; F27-Y31 HydrophobicContact CG-CD1 4.06Å; F27-Y31 HydrophobicContact CG-CE1 4.36Å; F27-Y31 HydrophobicContact CG-CG 4.18Å |
| 28 | P | 86.1 | Confident | 81.8 | Confident | 80 Ų | 80 | 122.6 Ų | 122.6 | 52% | 0.519 | 57% | 0.568 | S | S | . | * | trans | -65.4 | 153.7 | 174.9 | 29.3 | -34.7 | 0 | 0 | 0 | 110.6 | N30 Y31 | P28-N30 WeakPolarHBondContact CB-OD1 3.42Å; P28-N30 PolarHBondContact O-N 3.26Å; P28-Y31 WeakPolarHBondContact O-CB 3.35Å; P28-Y31 PolarHBondContact O-N 3.17Å | ||
| 29 | D | 79.9 | Confident | 81.7 | Confident | 178 Ų | 178 | 119.3 Ų | 119.3 | 95% | 0.952 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -22.2 | -175.6 | -65.7 | -12.4 | 0 | 0 | 0 | 113.8 | ||
| 30 | N | 82.9 | Confident | 82 | Confident | 134 Ų | 134 | 116.2 Ų | 116.2 | 72% | 0.717 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 12.8 | 177.1 | 66.4 | -15.2 | 0 | 0 | 0 | 113.9 | P28 V32 | P28-N30 WeakPolarHBondContact CB-OD1 3.42Å; P28-N30 PolarHBondContact O-N 3.26Å; N30-V32 PolarHBondContact O-N 2.79Å |
| 31 | Y | 84.4 | Confident | 82 | Confident | 79 Ų | 79 | 120.7 Ų | 120.7 | 31% | 0.31 | 56% | 0.56 | S | S | . | * | trans | -69 | 128.2 | 177.2 | -178.2 | -95.5 | 0 | 0 | 0 | 111 | W17 F27 P28 D33 | W17-Y31 HydrophobicContact CB-CD1 4.3Å; W17-Y31 HydrophobicContact CB-CE1 3.7Å; W17-Y31 AromaticContact CD1-CD1 3.46Å; W17-Y31 VanDerWaalsContact CD1-CD1 3.46Å; W17-Y31 AromaticContact CD1-CE1 3.78Å; W17-Y31 HydrophobicContact CD2-CD1 4.47Å; W17-Y31 HydrophobicContact CD2-CE1 4.41Å; W17-Y31 AromaticContact CG-CD1 3.84Å; W17-Y31 HydrophobicContact CG-CD1 3.84Å; W17-Y31 AromaticContact CG-CE1 3.68Å; W17-Y31 HydrophobicContact CG-CE1 3.68Å; W17-Y31 AromaticContact NE1-CD1 3.89Å; F27-Y31 HydrophobicContact CB-CD1 4.13Å; F27-Y31 HydrophobicContact CB-CG 3.95Å; F27-Y31 AromaticContact CD1-CD1 3.82Å; F27-Y31 HydrophobicContact CD1-CD1 3.82Å; F27-Y31 AromaticContact CD1-CD2 3.8Å; F27-Y31 HydrophobicContact CD1-CD2 3.8Å; F27-Y31 AromaticContact CD1-CE1 3.82Å; F27-Y31 HydrophobicContact CD1-CE1 3.82Å; F27-Y31 AromaticContact CD1-CE2 3.78Å; F27-Y31 HydrophobicContact CD1-CE2 3.78Å; F27-Y31 AromaticContact CD1-CG 3.81Å; F27-Y31 HydrophobicContact CD1-CG 3.81Å; F27-Y31 AromaticContact CD1-CZ 3.8Å; F27-Y31 HydrophobicContact CE1-CE1 4.05Å; F27-Y31 HydrophobicContact CE1-CE2 4.09Å; F27-Y31 AromaticContact CE1-CZ 3.82Å; F27-Y31 HydrophobicContact CG-CD1 4.06Å; F27-Y31 HydrophobicContact CG-CE1 4.36Å; F27-Y31 HydrophobicContact CG-CG 4.18Å; P28-Y31 WeakPolarHBondContact O-CB 3.35Å; P28-Y31 PolarHBondContact O-N 3.17Å; Y31-D33 HydrophobicContact CE1-CB 4.19Å | ||
| 32 | V | 79.2 | Confident | 82.2 | Confident | 90 Ų | 90 | 119.7 Ų | 119.7 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | trans | -115.1 | 125.4 | 173.2 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | N30 F36 | N30-V32 PolarHBondContact O-N 2.79Å; V32-F36 HydrophobicContact CG1-CB 3.52Å; V32-F36 HydrophobicContact CG1-CD1 3.98Å; V32-F36 HydrophobicContact CG1-CD2 3.63Å; V32-F36 HydrophobicContact CG1-CE2 4.26Å; V32-F36 HydrophobicContact CG1-CG 3.44Å; V32-F36 VanDerWaalsContact CG1-CG 3.44Å | ||
| 33 | D | 83.5 | Confident | 82 | Confident | 36 Ų | 36 | 112 Ų | 112 | 19% | 0.193 | 52% | 0.518 | C | S | . | . | trans | -69.5 | 152.4 | -179.7 | -170.6 | 43.7 | 0 | 0 | 0 | 112.2 | W17 Y31 R35 F36 | W17-D33 HydrophobicContact CD2-CB 4.22Å; W17-D33 HydrophobicContact CE3-CB 3.7Å; W17-D33 HydrophobicContact CZ3-CB 4.09Å; Y31-D33 HydrophobicContact CE1-CB 4.19Å; D33-R35 PolarHBondContact O-N 3.35Å; D33-R35 WeakPolarHBondContact OD2-CB 3.13Å; D33-R35 WeakPolarHBondContact OD2-CG 3.38Å; D33-R35 PolarHBondContact OD2-N 2.98Å; D33-F36 WeakPolarHBondContact O-CB 3.44Å; D33-F36 PolarHBondContact O-N 3.47Å | ||
| 34 | R | 82.9 | Confident | 81.4 | Confident | 231 Ų | 231 | 112 Ų | 112 | 87% | 0.872 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -62.9 | -27 | -179.8 | -67.6 | -175.2 | 178 | -175.1 | -0.5 | 112.7 | F36 | R34-F36 PolarHBondContact O-N 3.21Š|
| 35 | R | 80.8 | Confident | 80.7 | Confident | 159 Ų | 159 | 103.9 Ų | 103.9 | 60% | 0.6 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -78.4 | -4 | 177.7 | -58.5 | -173.9 | 167.7 | 176.3 | -2.1 | 113.8 | D33 L37 E38 E39 | D33-R35 PolarHBondContact O-N 3.35Å; D33-R35 WeakPolarHBondContact OD2-CB 3.13Å; D33-R35 WeakPolarHBondContact OD2-CG 3.38Å; D33-R35 PolarHBondContact OD2-N 2.98Å; R35-L37 VanDerWaalsContact C-N 3.29Å; R35-L37 PolarHBondContact O-N 3.33Å; R35-E38 HydrophobicContact CB-CB 4.48Å; R35-E38 WeakPolarHBondContact CG-OE2 3.29Å; R35-E38 WeakPolarHBondContact O-CA 3.3Å; R35-E38 VanDerWaalsContact O-CB 3.29Å; R35-E38 WeakPolarHBondContact O-CB 3.46Å; R35-E38 PolarHBondContact O-N 3.41Å; R35-E39 PolarHBondContact O-N 2.96Å |
| 36 | F | 81.6 | Confident | 79.8 | Confident | 68 Ų | 68 | 105.2 Ų | 105.2 | 30% | 0.298 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -53 | -44 | -176.2 | 176.4 | -92.3 | 0 | 0 | 0 | 113.5 | V32 D33 R34 P298 W299 | V32-F36 HydrophobicContact CG1-CB 3.52Å; V32-F36 HydrophobicContact CG1-CD1 3.98Å; V32-F36 HydrophobicContact CG1-CD2 3.63Å; V32-F36 HydrophobicContact CG1-CE2 4.26Å; V32-F36 HydrophobicContact CG1-CG 3.44Å; V32-F36 VanDerWaalsContact CG1-CG 3.44Å; D33-F36 WeakPolarHBondContact O-CB 3.44Å; D33-F36 PolarHBondContact O-N 3.47Å; R34-F36 PolarHBondContact O-N 3.21Å; F36-P298 HydrophobicContact CD2-CB 4.21Å; F36-P298 HydrophobicContact CD2-CG 3.36Å; F36-P298 HydrophobicContact CE2-CB 4.29Å; F36-P298 HydrophobicContact CE2-CG 3.48Å; F36-P298 VanDerWaalsContact CE2-CG 3.48Å; F36-P298 HydrophobicContact CG-CG 4Å; F36-P298 HydrophobicContact CZ-CG 4.18Å; F36-W299 AromaticContact CE1-CE3 3.91Å; F36-W299 HydrophobicContact CE1-CE3 3.91Å; F36-W299 AromaticContact CE1-CZ3 3.71Å; F36-W299 HydrophobicContact CE1-CZ3 3.71Å; F36-W299 AromaticContact CE2-CE3 3.89Å; F36-W299 HydrophobicContact CE2-CE3 3.89Å; F36-W299 HydrophobicContact CE2-CZ3 4.39Å; F36-W299 HydrophobicContact CZ-CD2 4.43Å; F36-W299 AromaticContact CZ-CE3 3.29Å; F36-W299 HydrophobicContact CZ-CE3 3.29Å; F36-W299 AromaticContact CZ-CZ3 3.61Å; F36-W299 HydrophobicContact CZ-CZ3 3.61Å |
| 37 | L | 83.9 | Confident | 78.8 | Confident | 129 Ų | 129 | 110 Ų | 110 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -80.3 | -19 | 177 | -64.6 | 179 | 0 | 0 | 0 | 113 | R35 E39 L40 | R35-L37 VanDerWaalsContact C-N 3.29Å; R35-L37 PolarHBondContact O-N 3.33Å; L37-E39 VanDerWaalsContact C-N 3.28Å; L37-L40 VanDerWaalsContact O-CB 3.28Å; L37-L40 WeakPolarHBondContact O-CB 3.19Å; L37-L40 PolarHBondContact O-N 3.1Å |
| 38 | E | 82.1 | Confident | 78.3 | Confident | 145 Ų | 145 | 116 Ų | 116 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -26.8 | 173.9 | -57.3 | 178.1 | 174.9 | 0 | 0 | 111.1 | R35 L40 | R35-E38 HydrophobicContact CB-CB 4.48Å; R35-E38 WeakPolarHBondContact CG-OE2 3.29Å; R35-E38 WeakPolarHBondContact O-CA 3.3Å; R35-E38 VanDerWaalsContact O-CB 3.29Å; R35-E38 WeakPolarHBondContact O-CB 3.46Å; R35-E38 PolarHBondContact O-N 3.41Å; E38-L40 VanDerWaalsContact C-N 3.25Å; E38-L40 PolarHBondContact O-N 3.45Å |
| 39 | E | 77.9 | Confident | 78.1 | Confident | 82 Ų | 82 | 118 Ų | 118 | 38% | 0.383 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | 0.2 | 175.5 | -67.3 | -178.3 | -171.7 | 0 | 0 | 113.7 | R35 L37 R41 P298 | R35-E39 PolarHBondContact O-N 2.96Å; L37-E39 VanDerWaalsContact C-N 3.28Å; E39-R41 PolarHBondContact O-N 3.47Å; E39-P298 HydrophobicContact CB-CG 4.31Å |
| 40 | L | 81.9 | Confident | 78.5 | Confident | 56 Ų | 56 | 119.2 Ų | 119.2 | 29% | 0.293 | 54% | 0.544 | S | S | . | . | trans | -68.1 | 115.6 | 177.9 | -168.6 | 153.4 | 0 | 0 | 0 | 109.9 | L37 E38 R42 I295 W299 | L37-L40 VanDerWaalsContact O-CB 3.28Å; L37-L40 WeakPolarHBondContact O-CB 3.19Å; L37-L40 PolarHBondContact O-N 3.1Å; E38-L40 VanDerWaalsContact C-N 3.25Å; E38-L40 PolarHBondContact O-N 3.45Å; L40-R42 HydrophobicContact CD2-CG 3.9Å; L40-I295 HydrophobicContact CD1-CG2 3.8Å; L40-I295 HydrophobicContact CD2-CG2 3.75Å; L40-I295 HydrophobicContact CG-CG2 3.63Å; L40-W299 HydrophobicContact CD1-CH2 4.09Å; L40-W299 HydrophobicContact CG-CH2 4.38Å | ||
| 41 | R | 79.6 | Confident | 78.8 | Confident | 136 Ų | 136 | 116.1 Ų | 116.1 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134.5 | 178.9 | -70.4 | 151.9 | 174 | -137.6 | 10.2 | 108.3 | E39 E44 Q296 | E39-R41 PolarHBondContact O-N 3.47Å; R41-E44 HydrophobicContact CB-CG 4.23Å; R41-E44 VanDerWaalsContact CD-CD 3.46Å; R41-E44 WeakPolarHBondContact CD-OE1 3.47Å; R41-E44 WeakPolarHBondContact CD-OE2 3.38Å; R41-E44 VanDerWaalsContact CG-OE1 3.3Å; R41-E44 WeakPolarHBondContact CG-OE1 3.31Å; R41-E44 IonicContact CZ-OE1 3.42Å; R41-E44 IonicContact CZ-OE2 3.77Å; R41-E44 IonicContact NE-OE1 2.59Å; R41-E44 PolarHBondContact NE-OE1 3.21Å; R41-E44 IonicContact NE-OE2 3.39Å; R41-E44 VanDerWaalsContact NH1-CD 3.3Å; R41-E44 IonicContact NH1-OE1 2.99Å; R41-E44 PolarHBondContact NH1-OE1 3.44Å; R41-E44 IonicContact NH1-OE2 2.8Å; R41-E44 PolarHBondContact NH1-OE2 3.4Å; R41-Q296 HydrophobicContact CB-CB 4.3Å; R41-Q296 PolarHBondContact N-O 3.02Å; R41-Q296 PolarHBondContact O-N 3.46Å |
| 42 | R | 78.3 | Confident | 79.1 | Confident | 165 Ų | 165 | 120.6 Ų | 120.6 | 62% | 0.623 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 135.6 | 172.4 | -69 | -171.6 | -179.6 | 149.1 | -0.6 | 109.2 | L40 E44 N294 I295 | L40-R42 HydrophobicContact CD2-CG 3.9Å; R42-E44 PolarHBondContact O-N 2.85Å; R42-E44 VanDerWaalsContact O-N 3.16Å; R42-N294 CarbonylContact C-O 3.55Å; R42-N294 WeakPolarHBondContact CA-O 3.12Å; R42-I295 HydrophobicContact CG-CG1 4.43Å |
| 43 | N | 74.9 | Confident | 79.5 | Confident | 53 Ų | 53 | 118.4 Ų | 118.4 | 28% | 0.283 | 53% | 0.53 | S | S | . | . | S | Bend | trans | 59.6 | 29.3 | 167.1 | -69.6 | -25 | 0 | 0 | 0 | 114.6 | L46 K292 N294 | N43-L46 HydrophobicContact CB-CD1 3.55Å; N43-L46 HydrophobicContact CB-CG 3.87Å; N43-L46 WeakPolarHBondContact O-CG 3.17Å; N43-K292 PolarHBondContact ND2-O 2.75Å; N43-K292 PolarHBondContact OD1-O 3.36Å; N43-N294 PolarHBondContact N-O 3.24Å; N43-N294 PolarHBondContact OD1-N 2.89Å |
| 44 | E | 70.4 | Confident | 79.8 | Confident | 85 Ų | 85 | 117.8 Ų | 117.8 | 40% | 0.397 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 132.1 | 171.1 | -100.5 | -172 | -157.4 | 0 | 0 | 110.1 | R41 R42 Q296 | R41-E44 HydrophobicContact CB-CG 4.23Å; R41-E44 VanDerWaalsContact CD-CD 3.46Å; R41-E44 WeakPolarHBondContact CD-OE1 3.47Å; R41-E44 WeakPolarHBondContact CD-OE2 3.38Å; R41-E44 VanDerWaalsContact CG-OE1 3.3Å; R41-E44 WeakPolarHBondContact CG-OE1 3.31Å; R41-E44 IonicContact CZ-OE1 3.42Å; R41-E44 IonicContact CZ-OE2 3.77Å; R41-E44 IonicContact NE-OE1 2.59Å; R41-E44 PolarHBondContact NE-OE1 3.21Å; R41-E44 IonicContact NE-OE2 3.39Å; R41-E44 VanDerWaalsContact NH1-CD 3.3Å; R41-E44 IonicContact NH1-OE1 2.99Å; R41-E44 PolarHBondContact NH1-OE1 3.44Å; R41-E44 IonicContact NH1-OE2 2.8Å; R41-E44 PolarHBondContact NH1-OE2 3.4Å; R42-E44 PolarHBondContact O-N 2.85Å; R42-E44 VanDerWaalsContact O-N 3.16Å; E44-Q296 PolarHBondContact O-NE2 2.86Å |
| 45 | G | 66.4 | Low | 80.3 | Confident | 80 Ų | 80 | 107.8 Ų | 107.8 | 83% | 0.825 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 17.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116 | R47 | G45-R47 PolarHBondContact O-N 3.03Š|
| 46 | L | 66.4 | Low | 80.6 | Confident | 71 Ų | 71 | 103.9 Ų | 103.9 | 37% | 0.372 | 48% | 0.481 | S | S | . | . | trans | -58.4 | 108 | 173.7 | -78.3 | -178.3 | 0 | 0 | 0 | 111.4 | N43 Q48 K292 | N43-L46 HydrophobicContact CB-CD1 3.55Å; N43-L46 HydrophobicContact CB-CG 3.87Å; N43-L46 WeakPolarHBondContact O-CG 3.17Å; L46-Q48 PolarHBondContact O-N 3.24Å; L46-K292 HydrophobicContact CD2-CD 4.05Å; L46-K292 HydrophobicContact CD2-CG 4.46Å | ||
| 47 | R | 67.4 | Low | 80.9 | Confident | 202 Ų | 202 | 105.1 Ų | 105.1 | 76% | 0.762 | 49% | 0.487 | S | S | * | . | trans | -75.6 | 107 | 175 | -161.7 | 167.5 | -172.1 | 167.4 | 0.7 | 109.5 | G45 Y49 Q289 | G45-R47 PolarHBondContact O-N 3.03Å; R47-Y49 PolarHBondContact O-N 2.99Å; R47-Q289 PolarHBondContact O-NE2 3.07Å | ||
| 48 | Q | 74.4 | Confident | 81.3 | Confident | 177 Ų | 177 | 99.6 Ų | 99.6 | 83% | 0.827 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 117.6 | 177.9 | -68.1 | -179 | -7.8 | 0 | 0 | 110.2 | L46 | L46-Q48 PolarHBondContact O-N 3.24Š|
| 49 | Y | 80.9 | Confident | 81.8 | Confident | 122 Ų | 122 | 93.1 Ų | 93.1 | 48% | 0.478 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 129.3 | 176.4 | -65.6 | -70.1 | 0 | 0 | 0 | 110.2 | R47 V54 L285 | R47-Y49 PolarHBondContact O-N 2.99Å; Y49-V54 HydrophobicContact CD1-CG2 4.22Å; Y49-V54 HydrophobicContact CG-CG2 4.17Å; Y49-L285 HydrophobicContact CD2-CD2 3.94Å; Y49-L285 HydrophobicContact CE2-CD2 4.33Å; Y49-L285 HydrophobicContact CG-CD2 4.48Å |
| 50 | R | 88.2 | Confident | 82.4 | Confident | 204 Ų | 204 | 89.5 Ų | 89.5 | 77% | 0.77 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 126.6 | 170.1 | -67.6 | 177.1 | 64.9 | -172.2 | -0.3 | 108.6 | W52 A53 V54 | R50-W52 PolarHBondContact O-N 2.87Å; R50-A53 HydrophobicContact CB-CB 4.06Å; R50-A53 WeakPolarHBondContact O-CA 3.31Å; R50-A53 WeakPolarHBondContact O-CB 3.29Å; R50-A53 PolarHBondContact O-N 2.81Å; R50-V54 PolarHBondContact O-N 2.78Å; R50-V54 VanDerWaalsContact O-N 3.1Å |
| 51 | Y | 89.6 | Confident | 83 | Confident | 69 Ų | 69 | 89 Ų | 89 | 27% | 0.271 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -47.2 | -54.6 | -178.1 | 176.6 | -102.2 | 0 | 0 | 0 | 113.4 | A53 V54 V55 P282 L283 I286 | Y51-A53 VanDerWaalsContact C-N 3.26Å; Y51-A53 PolarHBondContact O-N 3.3Å; Y51-V54 PolarHBondContact O-N 3.02Å; Y51-V54 VanDerWaalsContact O-N 3.08Å; Y51-V55 HydrophobicContact CD1-CG2 4.04Å; Y51-V55 HydrophobicContact CD2-CG2 4.27Å; Y51-V55 HydrophobicContact CE1-CG2 3.63Å; Y51-V55 HydrophobicContact CE2-CG2 3.9Å; Y51-V55 HydrophobicContact CG-CG2 4.35Å; Y51-V55 WeakPolarHBondContact O-CG2 3.43Å; Y51-V55 PolarHBondContact O-N 3.23Å; Y51-P282 HydrophobicContact CD2-CB 4.37Å; Y51-P282 HydrophobicContact CE2-CB 4.12Å; Y51-L283 HydrophobicContact CE2-CB 4.11Å; Y51-L283 HydrophobicContact CE2-CD1 4.5Å; Y51-I286 VanDerWaalsContact CA-CD1 3.44Å; Y51-I286 HydrophobicContact CD2-CD1 3.77Å; Y51-I286 HydrophobicContact CG-CD1 4.21Å |
| 52 | W | 89.9 | Confident | 83.7 | Confident | 172 Ų | 172 | 82.9 Ų | 82.9 | 65% | 0.652 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.4 | -27.8 | -179.2 | -71.2 | 115.3 | 0 | 0 | 0 | 114.4 | R50 V55 Q56 | R50-W52 PolarHBondContact O-N 2.87Å; W52-V55 HydrophobicContact CE3-CB 4.21Å; W52-V55 HydrophobicContact CE3-CG1 4.17Å; W52-V55 HydrophobicContact CE3-CG2 4.39Å; W52-V55 HydrophobicContact CZ3-CG1 4.2Å; W52-Q56 VanDerWaalsContact O-CG 3.3Å; W52-Q56 WeakPolarHBondContact O-CG 3.25Å; W52-Q56 PolarHBondContact O-N 3.22Å |
| 53 | A | 88.9 | Confident | 84.5 | Confident | 45 Ų | 45 | 75 Ų | 75 | 37% | 0.372 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.6 | -45.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R50 Y51 V55 Q56 E57 | R50-A53 HydrophobicContact CB-CB 4.06Å; R50-A53 WeakPolarHBondContact O-CA 3.31Å; R50-A53 WeakPolarHBondContact O-CB 3.29Å; R50-A53 PolarHBondContact O-N 2.81Å; Y51-A53 VanDerWaalsContact C-N 3.26Å; Y51-A53 PolarHBondContact O-N 3.3Å; A53-V55 VanDerWaalsContact C-N 3.32Å; A53-V55 PolarHBondContact O-N 2.88Å; A53-Q56 WeakPolarHBondContact O-CB 3.46Å; A53-Q56 PolarHBondContact O-N 3.45Å; A53-E57 WeakPolarHBondContact O-CG 3.38Å; A53-E57 PolarHBondContact O-N 3.47Å |
| 54 | V | 90.3 | Very high | 85.5 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 14% | 0.139 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 177.1 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | Y49 R50 Y51 E57 A58 P282 | Y49-V54 HydrophobicContact CD1-CG2 4.22Å; Y49-V54 HydrophobicContact CG-CG2 4.17Å; R50-V54 PolarHBondContact O-N 2.78Å; R50-V54 VanDerWaalsContact O-N 3.1Å; Y51-V54 PolarHBondContact O-N 3.02Å; Y51-V54 VanDerWaalsContact O-N 3.08Å; V54-E57 PolarHBondContact O-N 2.69Å; V54-A58 WeakPolarHBondContact O-CB 3.36Å; V54-A58 PolarHBondContact O-N 2.81Å; V54-P282 HydrophobicContact CB-CB 4.08Å; V54-P282 HydrophobicContact CG1-CB 3.7Å; V54-P282 HydrophobicContact CG1-CG 3.97Å |
| 55 | V | 91.6 | Very high | 86.7 | Confident | 20 Ų | 20 | 69.6 Ų | 69.6 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 173.9 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | Y51 W52 A53 E57 A58 G59 L279 P282 | Y51-V55 HydrophobicContact CD1-CG2 4.04Å; Y51-V55 HydrophobicContact CD2-CG2 4.27Å; Y51-V55 HydrophobicContact CE1-CG2 3.63Å; Y51-V55 HydrophobicContact CE2-CG2 3.9Å; Y51-V55 HydrophobicContact CG-CG2 4.35Å; Y51-V55 WeakPolarHBondContact O-CG2 3.43Å; Y51-V55 PolarHBondContact O-N 3.23Å; W52-V55 HydrophobicContact CE3-CB 4.21Å; W52-V55 HydrophobicContact CE3-CG1 4.17Å; W52-V55 HydrophobicContact CE3-CG2 4.39Å; W52-V55 HydrophobicContact CZ3-CG1 4.2Å; A53-V55 VanDerWaalsContact C-N 3.32Å; A53-V55 PolarHBondContact O-N 2.88Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-A58 PolarHBondContact O-N 3.42Å; V55-G59 PolarHBondContact O-N 2.89Å; V55-L279 HydrophobicContact CG1-CD2 4.11Å; V55-L279 HydrophobicContact CG2-CD2 4.42Å; V55-P282 HydrophobicContact CG2-CB 4.08Å; V55-P282 HydrophobicContact CG2-CG 4.24Å |
| 56 | Q | 88.6 | Confident | 88.2 | Confident | 77 Ų | 77 | 65.9 Ų | 65.9 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 175.1 | -75.5 | 175.1 | -6.2 | 0 | 0 | 111.5 | W52 A53 G59 | W52-Q56 VanDerWaalsContact O-CG 3.3Å; W52-Q56 WeakPolarHBondContact O-CG 3.25Å; W52-Q56 PolarHBondContact O-N 3.22Å; A53-Q56 WeakPolarHBondContact O-CB 3.46Å; A53-Q56 PolarHBondContact O-N 3.45Å; Q56-G59 PolarHBondContact O-N 2.86Å |
| 57 | E | 88.3 | Confident | 89.6 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 175.2 | -65.2 | -57 | 136.7 | 0 | 0 | 112.5 | A53 V54 V55 G59 L60 R237 | A53-E57 WeakPolarHBondContact O-CG 3.38Å; A53-E57 PolarHBondContact O-N 3.47Å; V54-E57 PolarHBondContact O-N 2.69Å; V55-E57 VanDerWaalsContact C-N 3.34Å; E57-G59 PolarHBondContact O-N 3.47Å; E57-L60 PolarHBondContact O-N 3.46Å; E57-L60 VanDerWaalsContact O-N 3.14Å; E57-R237 IonicContact OE1-CZ 3.94Å; E57-R237 IonicContact OE1-NE 3.4Å; E57-R237 IonicContact OE1-NH2 3.99Å; E57-R237 PolarHBondContact OE1-NH2 2.83Å; E57-R237 IonicContact OE2-CZ 3.81Å; E57-R237 IonicContact OE2-NH1 2.64Å; E57-R237 IonicContact OE2-NH2 3.6Å; E57-R237 PolarHBondContact OE2-NH2 3.4Å |
| 58 | A | 92.1 | Very high | 91 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 11% | 0.107 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.1 | -20.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V54 V55 L60 V61 A62 P282 | V54-A58 WeakPolarHBondContact O-CB 3.36Å; V54-A58 PolarHBondContact O-N 2.81Å; V55-A58 PolarHBondContact O-N 3.42Å; A58-L60 PolarHBondContact O-N 2.84Å; A58-V61 PolarHBondContact O-N 3.31Å; A58-V61 VanDerWaalsContact O-N 3.08Å; A58-A62 PolarHBondContact O-N 3Å; A58-A62 VanDerWaalsContact O-N 3.15Å; A58-P282 HydrophobicContact CB-CG 3.94Å |
| 59 | G | 91.4 | Very high | 92.1 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 9% | 0.093 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.7 | -32.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V55 Q56 E57 A62 Q63 | V55-G59 PolarHBondContact O-N 2.89Å; Q56-G59 PolarHBondContact O-N 2.86Å; E57-G59 PolarHBondContact O-N 3.47Å; G59-A62 PolarHBondContact O-N 3.34Å; G59-Q63 WeakPolarHBondContact O-CB 3.38Å; G59-Q63 PolarHBondContact O-N 3.3Å |
| 60 | L | 91.8 | Very high | 92.8 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 175 | -74.9 | 178.1 | 0 | 0 | 0 | 112.9 | E57 A58 Q63 Q64 Y169 L233 F244 | E57-L60 PolarHBondContact O-N 3.46Å; E57-L60 VanDerWaalsContact O-N 3.14Å; A58-L60 PolarHBondContact O-N 2.84Å; L60-Q63 WeakPolarHBondContact O-CB 3.37Å; L60-Q63 PolarHBondContact O-N 3.25Å; L60-Q64 PolarHBondContact O-N 3.08Å; L60-Q64 VanDerWaalsContact O-N 3.15Å; L60-Y169 HydrophobicContact CB-CD1 4.36Å; L60-Y169 WeakPolarHBondContact CD1-O 3.38Å; L60-L233 HydrophobicContact CD2-CD2 3.8Å; L60-F244 HydrophobicContact CD2-CE2 3.51Å; L60-F244 HydrophobicContact CD2-CZ 3.52Å; L60-F244 HydrophobicContact CG-CE2 4.26Å; L60-F244 HydrophobicContact CG-CZ 3.76Å |
| 61 | V | 94.1 | Very high | 93.2 | Very high | 44 Ų | 44 | 32.3 Ų | 32.3 | 27% | 0.267 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67 | -47.4 | 177.5 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | A58 Q63 Q64 I65 Y169 V277 | A58-V61 PolarHBondContact O-N 3.31Å; A58-V61 VanDerWaalsContact O-N 3.08Å; V61-Q63 PolarHBondContact O-N 2.85Å; V61-Q64 PolarHBondContact O-N 3.03Å; V61-I65 HydrophobicContact CG1-CD1 4.17Å; V61-I65 WeakPolarHBondContact O-CG1 3.11Å; V61-I65 PolarHBondContact O-N 3.3Å; V61-I65 VanDerWaalsContact O-N 3.11Å; V61-Y169 HydrophobicContact CB-CE1 4.19Å; V61-Y169 HydrophobicContact CG1-CE1 4.4Å; V61-Y169 HydrophobicContact CG2-CD1 3.92Å; V61-Y169 HydrophobicContact CG2-CE1 3.93Å; V61-Y169 HydrophobicContact CG2-CG 4.32Å; V61-V277 HydrophobicContact CB-CG1 3.91Å; V61-V277 HydrophobicContact CG1-CG1 3.71Å |
| 62 | A | 94.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 31.6 Ų | 31.6 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59 | -37.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A58 G59 I65 S66 L274 T278 | A58-A62 PolarHBondContact O-N 3Å; A58-A62 VanDerWaalsContact O-N 3.15Å; G59-A62 PolarHBondContact O-N 3.34Å; A62-I65 PolarHBondContact O-N 2.91Å; A62-S66 WeakPolarHBondContact O-CB 3.49Å; A62-S66 PolarHBondContact O-N 3.47Å; A62-S66 PolarHBondContact O-OG 2.94Å; A62-L274 HydrophobicContact CB-CD2 3.92Å; A62-L274 WeakPolarHBondContact O-CD2 3.25Å; A62-T278 HydrophobicContact CB-CG2 3.27Å |
| 63 | Q | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 175 | -175.8 | 68.9 | 19.5 | 0 | 0 | 111.9 | G59 L60 V61 I65 S66 C67 W229 L233 C248 | G59-Q63 WeakPolarHBondContact O-CB 3.38Å; G59-Q63 PolarHBondContact O-N 3.3Å; L60-Q63 WeakPolarHBondContact O-CB 3.37Å; L60-Q63 PolarHBondContact O-N 3.25Å; V61-Q63 PolarHBondContact O-N 2.85Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-I65 PolarHBondContact O-N 3.45Å; Q63-S66 CarbonylContact O-C 3.6Å; Q63-S66 WeakPolarHBondContact O-CB 3.19Å; Q63-S66 PolarHBondContact O-N 2.85Å; Q63-S66 VanDerWaalsContact O-N 3.12Å; Q63-C67 WeakPolarHBondContact O-CB 3.37Å; Q63-C67 PolarHBondContact O-N 2.95Å; Q63-C67 PolarHBondContact O-SG 3.1Å; Q63-C67 VanDerWaalsContact O-SG 3.34Å; Q63-W229 VanDerWaalsContact NE2-CE2 3.28Å; Q63-W229 VanDerWaalsContact NE2-CZ2 3.27Å; Q63-L233 HydrophobicContact CB-CD2 4.3Å; Q63-L233 HydrophobicContact CG-CD2 3.64Å; Q63-C248 VanDerWaalsContact OE1-CA 3.27Å |
| 64 | Q | 95.2 | Very high | 94 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | -178.3 | -66 | -54.8 | -32.2 | 0 | 0 | 111.7 | L60 V61 S66 C67 V68 L164 F167 Y169 | L60-Q64 PolarHBondContact O-N 3.08Å; L60-Q64 VanDerWaalsContact O-N 3.15Å; V61-Q64 PolarHBondContact O-N 3.03Å; Q64-S66 VanDerWaalsContact C-N 3.27Å; Q64-S66 PolarHBondContact O-N 3.44Å; Q64-C67 PolarHBondContact O-N 3.46Å; Q64-V68 WeakPolarHBondContact O-CG2 3.43Å; Q64-V68 PolarHBondContact O-N 3.38Å; Q64-L164 HydrophobicContact CB-CD2 3.8Å; Q64-F167 HydrophobicContact CG-CD1 3.91Å; Q64-F167 HydrophobicContact CG-CE1 4.03Å; Q64-F167 HydrophobicContact CG-CG 4.19Å; Q64-F167 HydrophobicContact CG-CZ 4.42Å; Q64-Y169 HydrophobicContact CB-CE1 4.15Å; Q64-Y169 HydrophobicContact CG-CE1 3.71Å |
| 65 | I | 96.8 | Very high | 94.2 | Very high | 22 Ų | 22 | 22.5 Ų | 22.5 | 11% | 0.113 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59 | -42.5 | 173.1 | -64.3 | 169.1 | 0 | 0 | 0 | 110.4 | V61 A62 Q63 V68 A69 L164 L270 L273 L274 V277 | V61-I65 HydrophobicContact CG1-CD1 4.17Å; V61-I65 WeakPolarHBondContact O-CG1 3.11Å; V61-I65 PolarHBondContact O-N 3.3Å; V61-I65 VanDerWaalsContact O-N 3.11Å; A62-I65 PolarHBondContact O-N 2.91Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-I65 PolarHBondContact O-N 3.45Å; I65-V68 PolarHBondContact O-N 3.41Å; I65-A69 PolarHBondContact O-N 3.38Å; I65-L164 HydrophobicContact CG1-CD1 4.39Å; I65-L164 HydrophobicContact CG1-CD2 4.21Å; I65-L270 HydrophobicContact CG2-CD1 3.75Å; I65-L273 HydrophobicContact CD1-CD2 4.47Å; I65-L273 HydrophobicContact CG2-CD2 4.07Å; I65-L274 HydrophobicContact CB-CD2 3.98Å; I65-L274 HydrophobicContact CG2-CD2 3.84Å; I65-V277 HydrophobicContact CD1-CG2 4.32Å |
| 66 | S | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.4 | -37.7 | 178.7 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | A62 Q63 Q64 A69 L70 G252 | A62-S66 WeakPolarHBondContact O-CB 3.49Å; A62-S66 PolarHBondContact O-N 3.47Å; A62-S66 PolarHBondContact O-OG 2.94Å; Q63-S66 CarbonylContact O-C 3.6Å; Q63-S66 WeakPolarHBondContact O-CB 3.19Å; Q63-S66 PolarHBondContact O-N 2.85Å; Q63-S66 VanDerWaalsContact O-N 3.12Å; Q64-S66 VanDerWaalsContact C-N 3.27Å; Q64-S66 PolarHBondContact O-N 3.44Å; S66-A69 PolarHBondContact O-N 3.49Å; S66-L70 WeakPolarHBondContact O-CB 3.34Å; S66-L70 WeakPolarHBondContact O-CG 3.45Å; S66-L70 PolarHBondContact O-N 3.21Å; S66-G252 WeakPolarHBondContact OG-CA 3.4Å |
| 67 | C | 96.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 173.5 | -75.5 | 0 | 0 | 0 | 0 | 111.7 | Q63 Q64 L70 F71 V225 F226 | Q63-C67 WeakPolarHBondContact O-CB 3.37Å; Q63-C67 PolarHBondContact O-N 2.95Å; Q63-C67 PolarHBondContact O-SG 3.1Å; Q63-C67 VanDerWaalsContact O-SG 3.34Å; Q64-C67 PolarHBondContact O-N 3.46Å; C67-L70 PolarHBondContact O-N 3.45Å; C67-F71 WeakPolarHBondContact O-CB 3.37Å; C67-F71 PolarHBondContact O-N 2.91Å; C67-V225 HydrophobicContact CB-CG1 3.59Å; C67-F226 HydrophobicContact CB-CE1 4.43Å |
| 68 | V | 97.2 | Very high | 94.6 | Very high | 13 Ų | 13 | 18.4 Ų | 18.4 | 8% | 0.079 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 173.4 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | Q64 I65 L70 F71 L72 L160 L164 F226 | Q64-V68 WeakPolarHBondContact O-CG2 3.43Å; Q64-V68 PolarHBondContact O-N 3.38Å; I65-V68 PolarHBondContact O-N 3.41Å; V68-L70 PolarHBondContact O-N 3.02Å; V68-F71 PolarHBondContact O-N 3.24Å; V68-L72 HydrophobicContact CG1-CD1 4.13Å; V68-L72 WeakPolarHBondContact O-CG 3.33Å; V68-L72 PolarHBondContact O-N 3.21Å; V68-L160 HydrophobicContact CG1-CB 4.26Å; V68-L160 HydrophobicContact CG1-CD1 4.02Å; V68-L160 HydrophobicContact CG1-CD2 4.22Å; V68-L160 HydrophobicContact CG1-CG 4.4Å; V68-L160 HydrophobicContact CG2-CD2 4.48Å; V68-L164 HydrophobicContact CG2-CD2 3.89Å; V68-L164 HydrophobicContact CG2-CG 4.22Å; V68-F226 HydrophobicContact CG2-CE1 3.74Å; V68-F226 HydrophobicContact CG2-CZ 4.16Å |
| 69 | A | 96.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 21 Ų | 21 | 7% | 0.066 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I65 S66 F71 L72 T73 L270 | I65-A69 PolarHBondContact O-N 3.38Å; S66-A69 PolarHBondContact O-N 3.49Å; A69-F71 PolarHBondContact O-N 3.09Å; A69-L72 PolarHBondContact O-N 3.32Å; A69-T73 VanDerWaalsContact O-CG2 3.23Å; A69-T73 WeakPolarHBondContact O-CG2 3.48Å; A69-T73 PolarHBondContact O-N 2.84Å; A69-L270 HydrophobicContact CB-CD1 4.35Å; A69-L270 HydrophobicContact CB-CD2 3.54Å |
| 70 | L | 96.1 | Very high | 94.4 | Very high | 46 Ų | 46 | 25.6 Ų | 25.6 | 24% | 0.241 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 176.7 | -77.9 | 174.6 | 0 | 0 | 0 | 112 | S66 C67 V68 L72 T73 L74 V251 C254 | S66-L70 WeakPolarHBondContact O-CB 3.34Å; S66-L70 WeakPolarHBondContact O-CG 3.45Å; S66-L70 PolarHBondContact O-N 3.21Å; C67-L70 PolarHBondContact O-N 3.45Å; V68-L70 PolarHBondContact O-N 3.02Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 3.41Å; L70-T73 WeakPolarHBondContact CA-OG1 3.34Å; L70-T73 PolarHBondContact O-N 3.45Å; L70-T73 VanDerWaalsContact O-N 3.15Å; L70-T73 PolarHBondContact O-OG1 3.19Å; L70-L74 WeakPolarHBondContact O-CG 3.31Å; L70-L74 PolarHBondContact O-N 2.68Å; L70-V251 HydrophobicContact CD1-CG1 3.65Å; L70-C254 HydrophobicContact CD1-CB 4.49Å; L70-C254 HydrophobicContact CD2-CB 4.17Å |
| 71 | F | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 176.7 | 177.7 | -101.8 | 0 | 0 | 0 | 112.2 | C67 V68 A69 L74 W75 S187 L190 M218 A222 F226 | C67-F71 WeakPolarHBondContact O-CB 3.37Å; C67-F71 PolarHBondContact O-N 2.91Å; V68-F71 PolarHBondContact O-N 3.24Å; A69-F71 PolarHBondContact O-N 3.09Å; F71-L74 PolarHBondContact O-N 3.44Å; F71-W75 PolarHBondContact O-N 2.83Å; F71-W75 VanDerWaalsContact O-N 3.08Å; F71-S187 VanDerWaalsContact CZ-CB 3.46Å; F71-L190 HydrophobicContact CE1-CD1 3.98Å; F71-M218 HydrophobicContact CD2-CE 4.41Å; F71-M218 HydrophobicContact CE1-CE 3.94Å; F71-M218 HydrophobicContact CE2-CE 3.49Å; F71-M218 VanDerWaalsContact CE2-CE 3.49Å; F71-M218 HydrophobicContact CZ-CE 3.21Å; F71-A222 HydrophobicContact CE2-CB 3.88Å; F71-A222 HydrophobicContact CZ-CB 4.25Å; F71-F226 HydrophobicContact CB-CE2 4.21Å; F71-F226 HydrophobicContact CB-CZ 3.83Å; F71-F226 AromaticContact CD1-CE2 3.95Å; F71-F226 HydrophobicContact CD1-CE2 3.95Å; F71-F226 HydrophobicContact CD1-CZ 4.02Å; F71-F226 HydrophobicContact CD2-CE2 4.01Å; F71-F226 HydrophobicContact CD2-CZ 4.49Å; F71-F226 HydrophobicContact CE1-CE2 4.31Å; F71-F226 HydrophobicContact CE2-CE2 4.39Å; F71-F226 AromaticContact CG-CE2 3.77Å; F71-F226 HydrophobicContact CG-CE2 3.77Å; F71-F226 AromaticContact CG-CZ 3.86Å; F71-F226 HydrophobicContact CG-CZ 3.86Å |
| 72 | L | 96.1 | Very high | 93.6 | Very high | 54 Ų | 54 | 31.9 Ų | 31.9 | 28% | 0.283 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 174.6 | -70 | 174.5 | 0 | 0 | 0 | 112.4 | V68 A69 L70 W75 L76 L160 L190 | V68-L72 HydrophobicContact CG1-CD1 4.13Å; V68-L72 WeakPolarHBondContact O-CG 3.33Å; V68-L72 PolarHBondContact O-N 3.21Å; A69-L72 PolarHBondContact O-N 3.32Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 3.41Å; L72-W75 PolarHBondContact O-N 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.37Å; L72-L76 PolarHBondContact O-N 2.99Å; L72-L160 HydrophobicContact CD1-CD1 4.21Å; L72-L160 HydrophobicContact CD2-CD1 3.84Å; L72-L160 HydrophobicContact CG-CD1 4.21Å; L72-L190 HydrophobicContact CD2-CD1 3.69Å |
| 73 | T | 95.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.1 | -41.6 | 177 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | A69 L70 W75 L76 Y77 G258 L259 L262 | A69-T73 VanDerWaalsContact O-CG2 3.23Å; A69-T73 WeakPolarHBondContact O-CG2 3.48Å; A69-T73 PolarHBondContact O-N 2.84Å; L70-T73 WeakPolarHBondContact CA-OG1 3.34Å; L70-T73 PolarHBondContact O-N 3.45Å; L70-T73 VanDerWaalsContact O-N 3.15Å; L70-T73 PolarHBondContact O-OG1 3.19Å; T73-W75 VanDerWaalsContact C-N 3.33Å; T73-W75 PolarHBondContact O-N 2.99Å; T73-L76 PolarHBondContact O-N 2.99Å; T73-Y77 WeakPolarHBondContact O-CB 3.08Å; T73-Y77 WeakPolarHBondContact O-CD2 3.27Å; T73-Y77 PolarHBondContact O-N 2.87Å; T73-G258 WeakPolarHBondContact CG2-O 3.39Å; T73-L259 HydrophobicContact CG2-CB 4.06Å; T73-L259 HydrophobicContact CG2-CD1 4.35Å; T73-L262 HydrophobicContact CG2-CD1 4.39Å |
| 74 | L | 94.3 | Very high | 92.9 | Very high | 32 Ų | 32 | 36.1 Ų | 36.1 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 175 | -69.9 | 172 | 0 | 0 | 0 | 111 | L70 F71 Y77 M78 L88 W221 | L70-L74 WeakPolarHBondContact O-CG 3.31Å; L70-L74 PolarHBondContact O-N 2.68Å; F71-L74 PolarHBondContact O-N 3.44Å; L74-Y77 PolarHBondContact O-N 3.37Å; L74-M78 WeakPolarHBondContact O-CG 3.41Å; L74-M78 PolarHBondContact O-N 2.88Å; L74-M78 VanDerWaalsContact O-N 3.08Å; L74-L88 HydrophobicContact CD2-CD1 4.36Å; L74-W221 HydrophobicContact CD1-CD2 3.95Å; L74-W221 HydrophobicContact CD1-CE3 3.49Å; L74-W221 VanDerWaalsContact CD1-CE3 3.49Å; L74-W221 HydrophobicContact CD1-CH2 4.33Å; L74-W221 HydrophobicContact CD1-CZ3 3.71Å |
| 75 | W | 94.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 37 Ų | 37 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | 176.1 | 177.3 | 75.8 | 0 | 0 | 0 | 112.3 | F71 L72 T73 Y77 M78 E79 Y153 L190 R193 M218 | F71-W75 PolarHBondContact O-N 2.83Å; F71-W75 VanDerWaalsContact O-N 3.08Å; L72-W75 PolarHBondContact O-N 3.25Å; T73-W75 VanDerWaalsContact C-N 3.33Å; T73-W75 PolarHBondContact O-N 2.99Å; W75-Y77 VanDerWaalsContact C-N 3.31Å; W75-Y77 PolarHBondContact O-N 2.89Å; W75-M78 PolarHBondContact O-N 3.45Å; W75-M78 VanDerWaalsContact O-N 3.1Å; W75-E79 VanDerWaalsContact CH2-CD 3.42Å; W75-E79 HydrophobicContact CH2-CG 4.45Å; W75-E79 WeakPolarHBondContact CH2-OE2 3.25Å; W75-E79 HydrophobicContact CZ2-CG 4.43Å; W75-E79 WeakPolarHBondContact CZ3-OE2 3.49Å; W75-E79 PolarHBondContact O-N 3.16Å; W75-Y153 AromaticContact CH2-CE1 3.6Å; W75-Y153 HydrophobicContact CH2-CE1 3.6Å; W75-Y153 HydrophobicContact CZ2-CE1 4.12Å; W75-Y153 HydrophobicContact CZ3-CE1 4.39Å; W75-L190 HydrophobicContact CD2-CB 4.23Å; W75-L190 HydrophobicContact CD2-CD1 4.38Å; W75-L190 HydrophobicContact CD2-CD2 3.86Å; W75-L190 HydrophobicContact CD2-CG 4.38Å; W75-L190 HydrophobicContact CE3-CD2 4.04Å; W75-L190 HydrophobicContact CG-CB 4.1Å; W75-L190 HydrophobicContact CG-CD1 4.28Å; W75-L190 HydrophobicContact CH2-CD2 4.12Å; W75-L190 HydrophobicContact CZ2-CD2 3.9Å; W75-L190 HydrophobicContact CZ3-CD2 4.16Å; W75-L190 PolarHBondContact NE1-O 3.11Å; W75-R193 HydrophobicContact CZ2-CB 4.21Å; W75-M218 HydrophobicContact CB-CE 3.7Å; W75-M218 HydrophobicContact CB-SD 4.28Å; W75-M218 HydrophobicContact CG-CE 4.02Å |
| 76 | L | 93.5 | Very high | 92.1 | Very high | 45 Ų | 45 | 39.1 Ų | 39.1 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -41.5 | 178.1 | -75.7 | 168.5 | 0 | 0 | 0 | 111.9 | L72 T73 M78 E79 Q80 L262 | L72-L76 WeakPolarHBondContact O-CG 3.37Å; L72-L76 PolarHBondContact O-N 2.99Å; T73-L76 PolarHBondContact O-N 2.99Å; L76-M78 VanDerWaalsContact C-N 3.31Å; L76-M78 PolarHBondContact O-N 2.94Å; L76-E79 PolarHBondContact O-N 3.37Å; L76-Q80 WeakPolarHBondContact O-CG 3.22Å; L76-Q80 PolarHBondContact O-N 3.27Å; L76-L262 HydrophobicContact CB-CD1 3.75Å; L76-L262 HydrophobicContact CD1-CD1 3.82Å; L76-L262 HydrophobicContact CG-CD1 4.44Å |
| 77 | Y | 92.2 | Very high | 91.7 | Very high | 56 Ų | 56 | 42.2 Ų | 42.2 | 22% | 0.22 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.4 | -35.8 | 176.2 | -85.3 | -59.3 | 0 | 0 | 0 | 113.1 | T73 L74 W75 G81 L82 L83 S261 L262 | T73-Y77 WeakPolarHBondContact O-CB 3.08Å; T73-Y77 WeakPolarHBondContact O-CD2 3.27Å; T73-Y77 PolarHBondContact O-N 2.87Å; L74-Y77 PolarHBondContact O-N 3.37Å; W75-Y77 VanDerWaalsContact C-N 3.31Å; W75-Y77 PolarHBondContact O-N 2.89Å; Y77-G81 PolarHBondContact O-N 3.43Å; Y77-L82 HydrophobicContact CD1-CB 4.08Å; Y77-L82 HydrophobicContact CD1-CD1 3.81Å; Y77-L82 HydrophobicContact CE1-CD1 4.03Å; Y77-L82 PolarHBondContact O-N 3.05Å; Y77-L83 HydrophobicContact CD1-CD1 4.22Å; Y77-L83 HydrophobicContact CD2-CD1 4.03Å; Y77-L83 HydrophobicContact CG-CD1 3.64Å; Y77-L83 PolarHBondContact O-N 3.42Å; Y77-S261 VanDerWaalsContact OH-CB 3.31Å; Y77-S261 WeakPolarHBondContact OH-CB 3.28Å; Y77-S261 PolarHBondContact OH-OG 3.32Å; Y77-L262 HydrophobicContact CD1-CD2 4.26Å; Y77-L262 HydrophobicContact CD2-CD1 4.41Å; Y77-L262 HydrophobicContact CE1-CD2 3.97Å; Y77-L262 HydrophobicContact CE1-CG 4.48Å; Y77-L262 HydrophobicContact CE2-CD1 4.22Å; Y77-L262 HydrophobicContact CE2-CG 4.49Å |
| 78 | M | 89.9 | Confident | 91.5 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.6 | -36.1 | 173.2 | -66.8 | -160.2 | -38.8 | 0 | 0 | 112.2 | L74 W75 L76 Q80 G81 L83 L88 L194 M218 | L74-M78 WeakPolarHBondContact O-CG 3.41Å; L74-M78 PolarHBondContact O-N 2.88Å; L74-M78 VanDerWaalsContact O-N 3.08Å; W75-M78 PolarHBondContact O-N 3.45Å; W75-M78 VanDerWaalsContact O-N 3.1Å; L76-M78 VanDerWaalsContact C-N 3.31Å; L76-M78 PolarHBondContact O-N 2.94Å; M78-Q80 VanDerWaalsContact C-N 3.3Å; M78-Q80 PolarHBondContact O-N 2.92Å; M78-G81 PolarHBondContact O-N 3.04Å; M78-G81 VanDerWaalsContact O-N 3.1Å; M78-L83 HydrophobicContact CG-CB 4.15Å; M78-L88 HydrophobicContact CG-CD1 4.4Å; M78-L88 HydrophobicContact SD-CD1 4.35Å; M78-L88 HydrophobicContact SD-CD2 3.93Å; M78-L194 HydrophobicContact CB-CD2 3.82Å; M78-L194 HydrophobicContact CE-CD1 3.27Å; M78-L194 HydrophobicContact CE-CD2 3.99Å; M78-L194 HydrophobicContact CE-CG 4.28Å; M78-M218 HydrophobicContact CE-CG 3.6Å; M78-M218 HydrophobicContact CE-SD 3.31Å; M78-M218 WeakPolarHBondContact CE-SD 3.27Å |
| 79 | E | 89.6 | Confident | 91.2 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 175 | -171.6 | -175.4 | -154.7 | 0 | 0 | 111.3 | W75 L76 G81 Y153 L194 | W75-E79 VanDerWaalsContact CH2-CD 3.42Å; W75-E79 HydrophobicContact CH2-CG 4.45Å; W75-E79 WeakPolarHBondContact CH2-OE2 3.25Å; W75-E79 HydrophobicContact CZ2-CG 4.43Å; W75-E79 WeakPolarHBondContact CZ3-OE2 3.49Å; W75-E79 PolarHBondContact O-N 3.16Å; L76-E79 PolarHBondContact O-N 3.37Å; E79-G81 PolarHBondContact O-N 3.32Å; E79-Y153 PolarHBondContact OE1-OH 3.46Å; E79-L194 HydrophobicContact CB-CD2 4.21Å |
| 80 | Q | 89.4 | Confident | 91 | Very high | 107 Ų | 107 | 52 Ų | 52 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -4.2 | 175.4 | -67.3 | 176.2 | 6.3 | 0 | 0 | 114.1 | L76 M78 L82 | L76-Q80 WeakPolarHBondContact O-CG 3.22Å; L76-Q80 PolarHBondContact O-N 3.27Å; M78-Q80 VanDerWaalsContact C-N 3.3Å; M78-Q80 PolarHBondContact O-N 2.92Å; Q80-L82 HydrophobicContact CB-CD1 4.23Å; Q80-L82 HydrophobicContact CB-CG 4.17Å; Q80-L82 PolarHBondContact O-N 3.08Å |
| 81 | G | 84.2 | Confident | 90.8 | Very high | 62 Ų | 62 | 53 Ų | 53 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 13.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y77 M78 E79 | Y77-G81 PolarHBondContact O-N 3.43Å; M78-G81 PolarHBondContact O-N 3.04Å; M78-G81 VanDerWaalsContact O-N 3.1Å; E79-G81 PolarHBondContact O-N 3.32Å |
| 82 | L | 86.3 | Confident | 90.6 | Very high | 120 Ų | 120 | 53.4 Ų | 53.4 | 63% | 0.628 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -81.3 | -24.6 | 179.6 | -67.7 | 174.8 | 0 | 0 | 0 | 112.9 | Y77 Q80 | Y77-L82 HydrophobicContact CD1-CB 4.08Å; Y77-L82 HydrophobicContact CD1-CD1 3.81Å; Y77-L82 HydrophobicContact CE1-CD1 4.03Å; Y77-L82 PolarHBondContact O-N 3.05Å; Q80-L82 HydrophobicContact CB-CD1 4.23Å; Q80-L82 HydrophobicContact CB-CG 4.17Å; Q80-L82 PolarHBondContact O-N 3.08Å |
| 83 | L | 85.6 | Confident | 90.5 | Very high | 53 Ų | 53 | 54.9 Ų | 54.9 | 28% | 0.277 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -121 | 123.3 | 177.8 | -96.2 | 132.8 | 0 | 0 | 0 | 110.4 | Y77 M78 L88 | Y77-L83 HydrophobicContact CD1-CD1 4.22Å; Y77-L83 HydrophobicContact CD2-CD1 4.03Å; Y77-L83 HydrophobicContact CG-CD1 3.64Å; Y77-L83 PolarHBondContact O-N 3.42Å; M78-L83 HydrophobicContact CG-CB 4.15Å; L83-L88 HydrophobicContact CB-CD1 4.12Å; L83-L88 HydrophobicContact CD2-CD1 3.41Å; L83-L88 VanDerWaalsContact CD2-CD1 3.41Å; L83-L88 HydrophobicContact CG-CD1 4.3Å |
| 84 | S | 87.5 | Confident | 90.5 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | trans | -81.9 | 144.6 | 177.8 | 70.7 | 0 | 0 | 0 | 0 | 111 | S86 T87 L88 | S84-S86 VanDerWaalsContact C-N 3.26Å; S84-S86 PolarHBondContact O-N 3.48Å; S84-S86 PolarHBondContact OG-OG 2.85Å; S84-T87 PolarHBondContact O-N 2.82Å; S84-T87 PolarHBondContact O-OG1 3.47Å; S84-T87 WeakPolarHBondContact OG-CB 3.49Å; S84-T87 WeakPolarHBondContact OG-CG2 3.31Å; S84-T87 PolarHBondContact OG-N 3.41Å; S84-T87 PolarHBondContact OG-OG1 2.84Å; S84-L88 PolarHBondContact O-N 3.46Å | ||
| 85 | P | 87.2 | Confident | 90.5 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58 | -37.8 | 179.4 | -25.9 | 34.6 | 0 | 0 | 0 | 113.4 | T87 L88 L89 H214 | P85-T87 PolarHBondContact O-N 3.39Å; P85-L88 WeakPolarHBondContact O-CB 3.29Å; P85-L88 PolarHBondContact O-N 2.94Å; P85-L89 WeakPolarHBondContact O-CG 3.33Å; P85-L89 PolarHBondContact O-N 2.83Å; P85-H214 WeakPolarHBondContact CG-CE1 3.41Å; P85-H214 WeakPolarHBondContact CG-ND1 3.5Å; P85-H214 WeakPolarHBondContact CG-NE2 3.3Å |
| 86 | S | 88.4 | Confident | 90.5 | Very high | 66 Ų | 66 | 61.9 Ų | 61.9 | 46% | 0.462 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -41 | 179.3 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | S84 L88 L89 W90 | S84-S86 VanDerWaalsContact C-N 3.26Å; S84-S86 PolarHBondContact O-N 3.48Å; S84-S86 PolarHBondContact OG-OG 2.85Å; S86-L88 VanDerWaalsContact C-N 3.33Å; S86-L89 PolarHBondContact O-N 2.86Å; S86-W90 PolarHBondContact O-N 2.98Å |
| 87 | T | 89.6 | Confident | 90.5 | Very high | 65 Ų | 65 | 65 Ų | 65 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 175.2 | 59.5 | 0 | 0 | 0 | 0 | 111.5 | S84 P85 L89 W90 T91 | S84-T87 PolarHBondContact O-N 2.82Å; S84-T87 PolarHBondContact O-OG1 3.47Å; S84-T87 WeakPolarHBondContact OG-CB 3.49Å; S84-T87 WeakPolarHBondContact OG-CG2 3.31Å; S84-T87 PolarHBondContact OG-N 3.41Å; S84-T87 PolarHBondContact OG-OG1 2.84Å; P85-T87 PolarHBondContact O-N 3.39Å; T87-L89 VanDerWaalsContact C-N 3.34Å; T87-L89 PolarHBondContact O-N 3.35Å; T87-W90 PolarHBondContact O-N 2.89Å; T87-T91 WeakPolarHBondContact O-CB 3.45Å; T87-T91 VanDerWaalsContact O-CG2 3.28Å; T87-T91 WeakPolarHBondContact O-CG2 3.13Å; T87-T91 PolarHBondContact O-N 3.16Å; T87-T91 PolarHBondContact O-OG1 3.44Å |
| 88 | L | 90.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 173.4 | -120 | 88.3 | 0 | 0 | 0 | 112 | L74 M78 L83 S84 P85 S86 T91 G92 T217 W221 | L74-L88 HydrophobicContact CD2-CD1 4.36Å; M78-L88 HydrophobicContact CG-CD1 4.4Å; M78-L88 HydrophobicContact SD-CD1 4.35Å; M78-L88 HydrophobicContact SD-CD2 3.93Å; L83-L88 HydrophobicContact CB-CD1 4.12Å; L83-L88 HydrophobicContact CD2-CD1 3.41Å; L83-L88 VanDerWaalsContact CD2-CD1 3.41Å; L83-L88 HydrophobicContact CG-CD1 4.3Å; S84-L88 PolarHBondContact O-N 3.46Å; P85-L88 WeakPolarHBondContact O-CB 3.29Å; P85-L88 PolarHBondContact O-N 2.94Å; S86-L88 VanDerWaalsContact C-N 3.33Å; L88-T91 VanDerWaalsContact CA-OG1 3.3Å; L88-T91 WeakPolarHBondContact CA-OG1 3.49Å; L88-T91 PolarHBondContact O-OG1 2.81Å; L88-G92 WeakPolarHBondContact O-CA 3.37Å; L88-G92 PolarHBondContact O-N 3.27Å; L88-T217 HydrophobicContact CB-CG2 3.49Å; L88-T217 VanDerWaalsContact CB-CG2 3.49Å; L88-T217 HydrophobicContact CD2-CG2 3.83Å; L88-T217 HydrophobicContact CG-CG2 4.28Å; L88-W221 VanDerWaalsContact CD2-CD1 3.42Å; L88-W221 HydrophobicContact CD2-CD2 4.21Å; L88-W221 HydrophobicContact CD2-CG 3.87Å; L88-W221 HydrophobicContact CG-CZ2 4.32Å; L88-W221 PolarHBondContact O-NE1 3.43Å |
| 89 | L | 91.6 | Very high | 90.7 | Very high | 46 Ų | 46 | 68.3 Ų | 68.3 | 24% | 0.241 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.4 | -45.5 | 178.8 | -74.4 | 172.7 | 0 | 0 | 0 | 111.9 | P85 S86 T87 G92 L93 F216 T217 C220 | P85-L89 WeakPolarHBondContact O-CG 3.33Å; P85-L89 PolarHBondContact O-N 2.83Å; S86-L89 PolarHBondContact O-N 2.86Å; T87-L89 VanDerWaalsContact C-N 3.34Å; T87-L89 PolarHBondContact O-N 3.35Å; L89-G92 PolarHBondContact O-N 3.49Å; L89-L93 WeakPolarHBondContact O-CB 3.3Å; L89-L93 PolarHBondContact O-N 2.87Å; L89-F216 HydrophobicContact CD1-CD1 4.19Å; L89-F216 HydrophobicContact CD1-CE1 4.22Å; L89-F216 HydrophobicContact CD2-CD1 3.92Å; L89-F216 HydrophobicContact CD2-CE1 3.68Å; L89-T217 HydrophobicContact CD2-CG2 4.11Å; L89-T217 HydrophobicContact CG-CG2 4Å; L89-T217 WeakPolarHBondContact CG-OG1 3.27Å; L89-C220 HydrophobicContact CD2-CB 4.49Å |
| 90 | W | 91.8 | Very high | 90.8 | Very high | 184 Ų | 184 | 68.8 Ų | 68.8 | 70% | 0.697 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.4 | -42.8 | 177.7 | -75.9 | 115 | 0 | 0 | 0 | 112.4 | S86 T87 L93 L94 | S86-W90 PolarHBondContact O-N 2.98Å; T87-W90 PolarHBondContact O-N 2.89Å; W90-L93 HydrophobicContact CE3-CD2 3.99Å; W90-L93 HydrophobicContact CZ3-CD2 3.87Å; W90-L93 PolarHBondContact O-N 2.74Å; W90-L94 WeakPolarHBondContact O-CB 3.49Å; W90-L94 PolarHBondContact O-N 3.01Å |
| 91 | T | 93.3 | Very high | 90.9 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 40% | 0.399 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 175 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | T87 L88 L94 C95 | T87-T91 WeakPolarHBondContact O-CB 3.45Å; T87-T91 VanDerWaalsContact O-CG2 3.28Å; T87-T91 WeakPolarHBondContact O-CG2 3.13Å; T87-T91 PolarHBondContact O-N 3.16Å; T87-T91 PolarHBondContact O-OG1 3.44Å; L88-T91 VanDerWaalsContact CA-OG1 3.3Å; L88-T91 WeakPolarHBondContact CA-OG1 3.49Å; L88-T91 PolarHBondContact O-OG1 2.81Å; T91-L94 PolarHBondContact O-N 3.39Å; T91-C95 WeakPolarHBondContact O-CB 3.37Å; T91-C95 PolarHBondContact O-N 3.37Å; T91-C95 PolarHBondContact O-SG 2.85Å |
| 92 | G | 92.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 66.3 Ų | 66.3 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L88 L89 C95 A96 | L88-G92 WeakPolarHBondContact O-CA 3.37Å; L88-G92 PolarHBondContact O-N 3.27Å; L89-G92 PolarHBondContact O-N 3.49Å; G92-C95 PolarHBondContact O-N 2.92Å; G92-A96 WeakPolarHBondContact O-CB 3.28Å; G92-A96 PolarHBondContact O-N 2.96Å |
| 93 | L | 93.3 | Very high | 91.5 | Very high | 86 Ų | 86 | 64.1 Ų | 64.1 | 45% | 0.45 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 174.2 | 179.5 | 64.9 | 0 | 0 | 0 | 111.2 | L89 W90 C95 A96 L97 | L89-L93 WeakPolarHBondContact O-CB 3.3Å; L89-L93 PolarHBondContact O-N 2.87Å; W90-L93 HydrophobicContact CE3-CD2 3.99Å; W90-L93 HydrophobicContact CZ3-CD2 3.87Å; W90-L93 PolarHBondContact O-N 2.74Å; L93-C95 PolarHBondContact O-N 3.32Å; L93-A96 PolarHBondContact O-N 3.49Å; L93-L97 HydrophobicContact CD1-CD1 4.36Å; L93-L97 HydrophobicContact CD1-CG 4.39Å; L93-L97 HydrophobicContact CG-CD1 4.16Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3.24Å |
| 94 | L | 95.3 | Very high | 91.6 | Very high | 102 Ų | 102 | 63.2 Ų | 63.2 | 53% | 0.534 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 175.7 | 179.2 | 64.5 | 0 | 0 | 0 | 111.1 | W90 T91 A96 L97 L98 | W90-L94 WeakPolarHBondContact O-CB 3.49Å; W90-L94 PolarHBondContact O-N 3.01Å; T91-L94 PolarHBondContact O-N 3.39Å; L94-A96 VanDerWaalsContact C-N 3.34Å; L94-A96 PolarHBondContact O-N 3.4Å; L94-L97 PolarHBondContact O-N 2.96Å; L94-L98 HydrophobicContact CD1-CD1 4.11Å; L94-L98 HydrophobicContact CD1-CG 4.21Å; L94-L98 HydrophobicContact CG-CD1 4Å; L94-L98 HydrophobicContact CG-CG 4.46Å; L94-L98 WeakPolarHBondContact O-CB 3.41Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.45Å; L94-L98 PolarHBondContact O-N 3.45Å |
| 95 | C | 94.6 | Very high | 91.7 | Very high | 60 Ų | 60 | 65 Ų | 65 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 176.3 | -73.9 | 0 | 0 | 0 | 0 | 112.1 | T91 G92 L93 G99 L224 | T91-C95 WeakPolarHBondContact O-CB 3.37Å; T91-C95 PolarHBondContact O-N 3.37Å; T91-C95 PolarHBondContact O-SG 2.85Å; G92-C95 PolarHBondContact O-N 2.92Å; L93-C95 PolarHBondContact O-N 3.32Å; C95-G99 WeakPolarHBondContact O-CA 3.31Å; C95-G99 PolarHBondContact O-N 3.43Å; C95-L224 HydrophobicContact CB-CD2 3.92Å |
| 96 | A | 93.5 | Very high | 91.7 | Very high | 33 Ų | 33 | 65.6 Ų | 65.6 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | G92 L93 L94 G99 Y100 L224 | G92-A96 WeakPolarHBondContact O-CB 3.28Å; G92-A96 PolarHBondContact O-N 2.96Å; L93-A96 PolarHBondContact O-N 3.49Å; L94-A96 VanDerWaalsContact C-N 3.34Å; L94-A96 PolarHBondContact O-N 3.4Å; A96-G99 PolarHBondContact O-N 3.32Å; A96-Y100 VanDerWaalsContact O-CB 3.22Å; A96-Y100 WeakPolarHBondContact O-CB 3.43Å; A96-Y100 PolarHBondContact O-N 3.08Å; A96-L224 HydrophobicContact CB-CD1 3.82Å |
| 97 | L | 93.6 | Very high | 91.4 | Very high | 110 Ų | 110 | 63.3 Ų | 63.3 | 58% | 0.576 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.8 | -45.8 | 177.5 | -70.5 | 172.1 | 0 | 0 | 0 | 111.7 | L93 L94 Y100 G101 | L93-L97 HydrophobicContact CD1-CD1 4.36Å; L93-L97 HydrophobicContact CD1-CG 4.39Å; L93-L97 HydrophobicContact CG-CD1 4.16Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 3.24Å; L94-L97 PolarHBondContact O-N 2.96Å; L97-Y100 PolarHBondContact O-N 2.92Å; L97-G101 PolarHBondContact O-N 3.41Å |
| 98 | L | 94.6 | Very high | 90.9 | Very high | 112 Ų | 112 | 65.2 Ų | 65.2 | 59% | 0.586 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.3 | -44.6 | 176.3 | -70.1 | 176 | 0 | 0 | 0 | 111.5 | L94 G101 L102 | L94-L98 HydrophobicContact CD1-CD1 4.11Å; L94-L98 HydrophobicContact CD1-CG 4.21Å; L94-L98 HydrophobicContact CG-CD1 4Å; L94-L98 HydrophobicContact CG-CG 4.46Å; L94-L98 WeakPolarHBondContact O-CB 3.41Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.45Å; L94-L98 PolarHBondContact O-N 3.45Å; L98-G101 PolarHBondContact O-N 2.88Å; L98-L102 WeakPolarHBondContact O-CB 3.34Å; L98-L102 PolarHBondContact O-N 3.15Å |
| 99 | G | 92.9 | Very high | 89.7 | Confident | 18 Ų | 18 | 76.8 Ų | 76.8 | 19% | 0.186 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C95 A96 L102 Y103 | C95-G99 WeakPolarHBondContact O-CA 3.31Å; C95-G99 PolarHBondContact O-N 3.43Å; A96-G99 PolarHBondContact O-N 3.32Å; G99-L102 PolarHBondContact O-N 3.4Å; G99-Y103 VanDerWaalsContact O-CB 3.28Å; G99-Y103 WeakPolarHBondContact O-CB 3.41Å; G99-Y103 PolarHBondContact O-N 3.24Å |
| 100 | Y | 91.6 | Very high | 88.3 | Confident | 76 Ų | 76 | 78.5 Ų | 78.5 | 30% | 0.298 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 175.3 | -175.1 | -108.9 | 0 | 0 | 0 | 112.1 | A96 L97 Y103 Q104 R119 D122 | A96-Y100 VanDerWaalsContact O-CB 3.22Å; A96-Y100 WeakPolarHBondContact O-CB 3.43Å; A96-Y100 PolarHBondContact O-N 3.08Å; L97-Y100 PolarHBondContact O-N 2.92Å; Y100-Y103 WeakPolarHBondContact O-CB 3.31Å; Y100-Y103 PolarHBondContact O-N 2.96Å; Y100-Q104 VanDerWaalsContact CD1-NE2 3.33Å; Y100-Q104 HydrophobicContact CE1-CG 4.26Å; Y100-Q104 WeakPolarHBondContact O-CG 3.38Å; Y100-Q104 PolarHBondContact O-N 2.94Å; Y100-R119 HydrophobicContact CE1-CG 4.45Å; Y100-R119 WeakPolarHBondContact OH-CG 3.23Å; Y100-D122 HydrophobicContact CE2-CB 4.36Å; Y100-D122 WeakPolarHBondContact CE2-OD2 3.3Å; Y100-D122 PolarHBondContact OH-OD2 2.88Å |
| 101 | G | 91.3 | Very high | 86.9 | Confident | 36 Ų | 36 | 73.5 Ų | 73.5 | 37% | 0.371 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | L97 L98 Q104 A105 | L97-G101 PolarHBondContact O-N 3.41Å; L98-G101 PolarHBondContact O-N 2.88Å; G101-Q104 PolarHBondContact O-N 2.67Å; G101-A105 WeakPolarHBondContact O-CB 3.39Å; G101-A105 PolarHBondContact O-N 3.41Å |
| 102 | L | 91.8 | Very high | 85.2 | Confident | 81 Ų | 81 | 74.4 Ų | 74.4 | 42% | 0.424 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 176 | -177.6 | 59.8 | 0 | 0 | 0 | 111.8 | L98 G99 Q104 A105 L106 L232 | L98-L102 WeakPolarHBondContact O-CB 3.34Å; L98-L102 PolarHBondContact O-N 3.15Å; G99-L102 PolarHBondContact O-N 3.4Å; L102-Q104 VanDerWaalsContact C-N 3.27Å; L102-Q104 PolarHBondContact O-N 3.2Å; L102-A105 PolarHBondContact O-N 3.18Å; L102-A105 VanDerWaalsContact O-N 3.16Å; L102-L106 HydrophobicContact CD1-CD1 3.99Å; L102-L106 HydrophobicContact CD1-CG 4.24Å; L102-L106 HydrophobicContact CG-CD1 3.81Å; L102-L106 WeakPolarHBondContact O-CB 3.38Å; L102-L106 WeakPolarHBondContact O-CD1 3.44Å; L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.41Å; L102-L106 PolarHBondContact O-N 3.41Å; L102-L232 HydrophobicContact CB-CD1 4.27Å; L102-L232 HydrophobicContact CD2-CD1 4.2Å; L102-L232 HydrophobicContact CD2-CD2 4.38Å; L102-L232 HydrophobicContact CG-CD1 4.09Å |
| 103 | Y | 90 | Very high | 83.5 | Confident | 74 Ų | 74 | 82 Ų | 82 | 29% | 0.29 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.5 | -40.6 | 176.7 | -175.8 | -97.9 | 0 | 0 | 0 | 112.3 | G99 Y100 A107 L232 R235 | G99-Y103 VanDerWaalsContact O-CB 3.28Å; G99-Y103 WeakPolarHBondContact O-CB 3.41Å; G99-Y103 PolarHBondContact O-N 3.24Å; Y100-Y103 WeakPolarHBondContact O-CB 3.31Å; Y100-Y103 PolarHBondContact O-N 2.96Å; Y103-A107 PolarHBondContact O-N 3.41Å; Y103-L232 HydrophobicContact CD2-CD1 4.34Å; Y103-R235 HydrophobicContact CD2-CG 4.17Å; Y103-R235 VanDerWaalsContact CE1-NH2 3.35Å; Y103-R235 HydrophobicContact CE2-CG 3.76Å; Y103-R235 VanDerWaalsContact CZ-NH2 3.28Å; Y103-R235 PolarHBondContact O-NH1 3Å; Y103-R235 VanDerWaalsContact OH-CZ 3.27Å; Y103-R235 PolarHBondContact OH-NE 3.27Å; Y103-R235 PolarHBondContact OH-NH2 2.81Å |
| 104 | Q | 88.7 | Confident | 81.9 | Confident | 35 Ų | 35 | 82.4 Ų | 82.4 | 16% | 0.164 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -73.8 | -38.3 | 174.6 | -71.9 | -169.4 | 88.5 | 0 | 0 | 112.8 | Y100 G101 L102 L106 A107 H115 R119 | Y100-Q104 VanDerWaalsContact CD1-NE2 3.33Å; Y100-Q104 HydrophobicContact CE1-CG 4.26Å; Y100-Q104 WeakPolarHBondContact O-CG 3.38Å; Y100-Q104 PolarHBondContact O-N 2.94Å; G101-Q104 PolarHBondContact O-N 2.67Å; L102-Q104 VanDerWaalsContact C-N 3.27Å; L102-Q104 PolarHBondContact O-N 3.2Å; Q104-L106 PolarHBondContact O-N 3.04Å; Q104-A107 WeakPolarHBondContact O-CB 3.47Å; Q104-A107 PolarHBondContact O-N 3.4Å; Q104-H115 PolarHBondContact OE1-CD2 3.22Å; Q104-R119 VanDerWaalsContact OE1-CZ 3.24Å |
| 105 | A | 88.4 | Confident | 80.3 | Confident | 83 Ų | 83 | 79 Ų | 79 | 69% | 0.686 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.4 | -29.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | G101 L102 A107 | G101-A105 WeakPolarHBondContact O-CB 3.39Å; G101-A105 PolarHBondContact O-N 3.41Å; L102-A105 PolarHBondContact O-N 3.18Å; L102-A105 VanDerWaalsContact O-N 3.16Å; A105-A107 VanDerWaalsContact C-N 3.29Å |
| 106 | L | 87.9 | Confident | 78.6 | Confident | 34 Ų | 34 | 83 Ų | 83 | 18% | 0.178 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -5.1 | 173.3 | -68.6 | 160.7 | 0 | 0 | 0 | 112.9 | L102 Q104 L232 L236 C239 | L102-L106 HydrophobicContact CD1-CD1 3.99Å; L102-L106 HydrophobicContact CD1-CG 4.24Å; L102-L106 HydrophobicContact CG-CD1 3.81Å; L102-L106 WeakPolarHBondContact O-CB 3.38Å; L102-L106 WeakPolarHBondContact O-CD1 3.44Å; L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.41Å; L102-L106 PolarHBondContact O-N 3.41Å; Q104-L106 PolarHBondContact O-N 3.04Å; L106-L232 HydrophobicContact CD1-CD1 4.31Å; L106-L236 HydrophobicContact CD1-CB 4.41Å; L106-L236 HydrophobicContact CD1-CD1 4.16Å; L106-L236 HydrophobicContact CD2-CD1 4.35Å; L106-C239 HydrophobicContact CD2-CB 3.84Å |
| 107 | A | 82.4 | Confident | 77 | Confident | 18 Ų | 18 | 91.3 Ų | 91.3 | 15% | 0.149 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -68.2 | 141.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y103 Q104 A105 R109 | Y103-A107 PolarHBondContact O-N 3.41Å; Q104-A107 WeakPolarHBondContact O-CB 3.47Å; Q104-A107 PolarHBondContact O-N 3.4Å; A105-A107 VanDerWaalsContact C-N 3.29Å; A107-R109 PolarHBondContact O-N 2.91Å |
| 108 | P | 78.1 | Confident | 76.3 | Confident | 105 Ų | 105 | 88.5 Ų | 88.5 | 68% | 0.682 | 48% | 0.481 | S | S | * | . | trans | -56.1 | 136.3 | 174.9 | -23.8 | 33.1 | 0 | 0 | 0 | 111.8 | G110 | P108-G110 PolarHBondContact O-N 3.15Š| ||
| 109 | R | 66 | Low | 75.6 | Confident | 245 Ų | 245 | 88.1 Ų | 88.1 | 93% | 0.925 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -5.8 | -174 | -85.9 | -178 | 166.8 | 102.8 | -2.3 | 116.4 | A107 | A107-R109 PolarHBondContact O-N 2.91Š|
| 110 | G | 63.1 | Low | 75.2 | Confident | 82 Ų | 82 | 95.6 Ų | 95.6 | 85% | 0.845 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -1.1 | -175 | 0 | 0 | 0 | 0 | 0 | 116.3 | P108 | P108-G110 PolarHBondContact O-N 3.15Š|
| 111 | D | 61.7 | Low | 75 | Confident | 78 Ų | 78 | 94.6 Ų | 94.6 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | trans | -107.8 | 16 | -165.7 | -158 | 22.4 | 0 | 0 | 0 | 114.5 | D113 N114 H115 | D111-D113 PolarHBondContact O-N 3.35Å; D111-N114 PolarHBondContact O-N 3.45Å; D111-H115 PolarHBondContact O-N 2.93Å; D111-H115 PolarHBondContact O-ND1 2.97Å; D111-H115 IonicContact OD2-CE1 3.4Å; D111-H115 PolarHBondContact OD2-CE1 3.43Å; D111-H115 IonicContact OD2-ND1 3.57Å | ||
| 112 | S | 57.3 | Low | 74.8 | Confident | 84 Ų | 84 | 96 Ų | 96 | 59% | 0.587 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -34.8 | -166.1 | -64.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 113 | D | 57.9 | Low | 74.6 | Confident | 169 Ų | 169 | 97.2 Ų | 97.2 | 90% | 0.904 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -23.9 | -176.7 | -79.6 | -12.7 | 0 | 0 | 0 | 113.1 | D111 | D111-D113 PolarHBondContact O-N 3.35Š|
| 114 | N | 59.5 | Low | 74.6 | Confident | 96 Ų | 96 | 98.7 Ų | 98.7 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -14.2 | 176.4 | -135.6 | 11.5 | 0 | 0 | 0 | 112.4 | D111 H116 T118 | D111-N114 PolarHBondContact O-N 3.45Å; N114-H116 PolarHBondContact O-N 2.73Å; N114-T118 WeakPolarHBondContact O-CG2 3.47Å; N114-T118 PolarHBondContact O-N 2.96Å; N114-T118 PolarHBondContact O-OG1 3.38Å |
| 115 | H | 60.6 | Low | 74.6 | Confident | 30 Ų | 30 | 99.4 Ų | 99.4 | 14% | 0.139 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -68.5 | -31.9 | -171.9 | -103.4 | 70.9 | 0 | 0 | 0 | 115.3 | Q104 D111 T118 R119 | Q104-H115 PolarHBondContact OE1-CD2 3.22Å; D111-H115 PolarHBondContact O-N 2.93Å; D111-H115 PolarHBondContact O-ND1 2.97Å; D111-H115 IonicContact OD2-CE1 3.4Å; D111-H115 PolarHBondContact OD2-CE1 3.43Å; D111-H115 IonicContact OD2-ND1 3.57Å; H115-T118 VanDerWaalsContact CA-OG1 3.25Å; H115-T118 WeakPolarHBondContact CA-OG1 3.19Å; H115-T118 PolarHBondContact O-OG1 2.95Å; H115-R119 VanDerWaalsContact O-CG 3.28Å; H115-R119 WeakPolarHBondContact O-CG 3.28Å; H115-R119 PolarHBondContact O-N 2.97Å |
| 116 | H | 59 | Low | 74.7 | Confident | 143 Ų | 143 | 97.5 Ų | 97.5 | 66% | 0.662 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.9 | -36.5 | -179 | -91.9 | -76.8 | 0 | 0 | 0 | 112.7 | N114 | N114-H116 PolarHBondContact O-N 2.73Å |
| 117 | R | 61.4 | Low | 74.7 | Confident | 209 Ų | 209 | 98.9 Ų | 98.9 | 79% | 0.789 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.9 | -38.2 | 175 | -77.1 | 178.4 | 140 | 169 | -5.1 | 111.3 | S121 | R117-S121 PolarHBondContact O-N 3.47Å; R117-S121 PolarHBondContact O-OG 3.36Å |
| 118 | T | 77.3 | Confident | 75.1 | Confident | 50 Ų | 50 | 102.7 Ų | 102.7 | 31% | 0.307 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.6 | -38 | 178.8 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | N114 H115 W120 S121 D122 | N114-T118 WeakPolarHBondContact O-CG2 3.47Å; N114-T118 PolarHBondContact O-N 2.96Å; N114-T118 PolarHBondContact O-OG1 3.38Å; H115-T118 VanDerWaalsContact CA-OG1 3.25Å; H115-T118 WeakPolarHBondContact CA-OG1 3.19Å; H115-T118 PolarHBondContact O-OG1 2.95Å; T118-W120 VanDerWaalsContact C-N 3.29Å; T118-W120 PolarHBondContact O-N 3.41Å; T118-S121 VanDerWaalsContact CA-OG 3.3Å; T118-S121 WeakPolarHBondContact CA-OG 3.41Å; T118-S121 PolarHBondContact O-N 2.81Å; T118-S121 VanDerWaalsContact O-N 3.16Å; T118-S121 PolarHBondContact O-OG 2.81Å; T118-D122 WeakPolarHBondContact O-CB 3.35Å; T118-D122 PolarHBondContact O-N 3.36Å |
| 119 | R | 81.6 | Confident | 75.6 | Confident | 104 Ų | 104 | 104.1 Ų | 104.1 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.3 | -41.5 | 174.5 | -76.1 | 170.9 | -174.5 | -177 | 4 | 113.2 | Y100 Q104 H115 D122 L123 | Y100-R119 HydrophobicContact CE1-CG 4.45Å; Y100-R119 WeakPolarHBondContact OH-CG 3.23Å; Q104-R119 VanDerWaalsContact OE1-CZ 3.24Å; H115-R119 VanDerWaalsContact O-CG 3.28Å; H115-R119 WeakPolarHBondContact O-CG 3.28Å; H115-R119 PolarHBondContact O-N 2.97Å; R119-D122 PolarHBondContact O-N 3.2Å; R119-L123 WeakPolarHBondContact O-CB 3.25Å; R119-L123 PolarHBondContact O-N 2.99Å |
| 120 | W | 84.3 | Confident | 76.7 | Confident | 175 Ų | 175 | 96.4 Ų | 96.4 | 66% | 0.663 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.9 | -40.6 | 178.3 | -175.6 | -99.8 | 0 | 0 | 0 | 111.4 | T118 D122 L123 Q124 | T118-W120 VanDerWaalsContact C-N 3.29Å; T118-W120 PolarHBondContact O-N 3.41Å; W120-D122 VanDerWaalsContact C-N 3.34Å; W120-L123 HydrophobicContact CE3-CD2 4.4Å; W120-L123 HydrophobicContact CZ3-CD2 4.32Å; W120-L123 PolarHBondContact O-N 2.93Å; W120-Q124 WeakPolarHBondContact O-CB 3.33Å; W120-Q124 PolarHBondContact O-N 2.97Å |
| 121 | S | 86.1 | Confident | 77.9 | Confident | 55 Ų | 55 | 96.2 Ų | 96.2 | 39% | 0.385 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -36.4 | 174.6 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | R117 T118 Q124 S125 | R117-S121 PolarHBondContact O-N 3.47Å; R117-S121 PolarHBondContact O-OG 3.36Å; T118-S121 VanDerWaalsContact CA-OG 3.3Å; T118-S121 WeakPolarHBondContact CA-OG 3.41Å; T118-S121 PolarHBondContact O-N 2.81Å; T118-S121 VanDerWaalsContact O-N 3.16Å; T118-S121 PolarHBondContact O-OG 2.81Å; S121-Q124 PolarHBondContact O-N 3.03Å; S121-S125 WeakPolarHBondContact O-CB 3.34Å; S121-S125 PolarHBondContact O-N 3.28Å; S121-S125 PolarHBondContact O-OG 2.87Å |
| 122 | D | 87.1 | Confident | 79.2 | Confident | 66 Ų | 66 | 98.3 Ų | 98.3 | 35% | 0.353 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 176 | -67.2 | -11.6 | 0 | 0 | 0 | 110.2 | Y100 T118 R119 W120 Q124 S125 A126 | Y100-D122 HydrophobicContact CE2-CB 4.36Å; Y100-D122 WeakPolarHBondContact CE2-OD2 3.3Å; Y100-D122 PolarHBondContact OH-OD2 2.88Å; T118-D122 WeakPolarHBondContact O-CB 3.35Å; T118-D122 PolarHBondContact O-N 3.36Å; R119-D122 PolarHBondContact O-N 3.2Å; W120-D122 VanDerWaalsContact C-N 3.34Å; D122-Q124 VanDerWaalsContact C-N 3.34Å; D122-Q124 PolarHBondContact O-N 3.35Å; D122-S125 PolarHBondContact O-N 3.04Å; D122-S125 PolarHBondContact O-OG 3.47Å; D122-A126 VanDerWaalsContact O-CB 3.29Å; D122-A126 WeakPolarHBondContact O-CB 3.42Å; D122-A126 PolarHBondContact O-N 3.26Å |
| 123 | L | 87.9 | Confident | 80.6 | Confident | 107 Ų | 107 | 95.1 Ų | 95.1 | 56% | 0.56 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 175.9 | -176.4 | 63.7 | 0 | 0 | 0 | 111.7 | R119 W120 A126 S127 | R119-L123 WeakPolarHBondContact O-CB 3.25Å; R119-L123 PolarHBondContact O-N 2.99Å; W120-L123 HydrophobicContact CE3-CD2 4.4Å; W120-L123 HydrophobicContact CZ3-CD2 4.32Å; W120-L123 PolarHBondContact O-N 2.93Å; L123-A126 PolarHBondContact O-N 2.89Å; L123-S127 VanDerWaalsContact O-CB 3.25Å; L123-S127 WeakPolarHBondContact O-CB 3.49Å; L123-S127 PolarHBondContact O-N 3.29Å |
| 124 | Q | 90.6 | Very high | 82.1 | Confident | 105 Ų | 105 | 91 Ų | 91 | 49% | 0.491 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 176 | -179.8 | 180 | -14.2 | 0 | 0 | 110.8 | W120 S121 D122 S127 I128 | W120-Q124 WeakPolarHBondContact O-CB 3.33Å; W120-Q124 PolarHBondContact O-N 2.97Å; S121-Q124 PolarHBondContact O-N 3.03Å; D122-Q124 VanDerWaalsContact C-N 3.34Å; D122-Q124 PolarHBondContact O-N 3.35Å; Q124-S127 PolarHBondContact O-N 3.38Å; Q124-I128 HydrophobicContact CG-CD1 3.95Å; Q124-I128 VanDerWaalsContact O-CG1 3.25Å; Q124-I128 WeakPolarHBondContact O-CG1 3.44Å; Q124-I128 PolarHBondContact O-N 3.1Å |
| 125 | S | 88.9 | Confident | 83.3 | Confident | 50 Ų | 50 | 88.8 Ų | 88.8 | 35% | 0.35 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 178 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | S121 D122 S127 I128 F129 | S121-S125 WeakPolarHBondContact O-CB 3.34Å; S121-S125 PolarHBondContact O-N 3.28Å; S121-S125 PolarHBondContact O-OG 2.87Å; D122-S125 PolarHBondContact O-N 3.04Å; D122-S125 PolarHBondContact O-OG 3.47Å; S125-S127 VanDerWaalsContact C-N 3.33Å; S125-S127 PolarHBondContact O-N 3.39Å; S125-I128 PolarHBondContact O-N 2.64Å; S125-F129 VanDerWaalsContact O-CD2 3.26Å; S125-F129 WeakPolarHBondContact O-CD2 3.5Å; S125-F129 PolarHBondContact O-N 2.9Å |
| 126 | A | 88.9 | Confident | 84.5 | Confident | 42 Ų | 42 | 91.7 Ų | 91.7 | 35% | 0.347 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D122 L123 F129 L130 | D122-A126 VanDerWaalsContact O-CB 3.29Å; D122-A126 WeakPolarHBondContact O-CB 3.42Å; D122-A126 PolarHBondContact O-N 3.26Å; L123-A126 PolarHBondContact O-N 2.89Å; A126-F129 PolarHBondContact O-N 3.49Å; A126-L130 WeakPolarHBondContact O-CB 3.31Å; A126-L130 VanDerWaalsContact O-CG 3.23Å; A126-L130 WeakPolarHBondContact O-CG 3.47Å; A126-L130 PolarHBondContact O-N 3.47Å |
| 127 | S | 88.4 | Confident | 85.8 | Confident | 63 Ų | 63 | 84.9 Ų | 84.9 | 44% | 0.441 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | L123 Q124 S125 L130 S131 | L123-S127 VanDerWaalsContact O-CB 3.25Å; L123-S127 WeakPolarHBondContact O-CB 3.49Å; L123-S127 PolarHBondContact O-N 3.29Å; Q124-S127 PolarHBondContact O-N 3.38Å; S125-S127 VanDerWaalsContact C-N 3.33Å; S125-S127 PolarHBondContact O-N 3.39Å; S127-L130 PolarHBondContact O-N 2.96Å; S127-S131 VanDerWaalsContact O-CB 3.27Å; S127-S131 WeakPolarHBondContact O-CB 3.49Å; S127-S131 PolarHBondContact O-N 3.22Å; S127-S131 PolarHBondContact O-OG 3.15Å |
| 128 | I | 91 | Very high | 86.8 | Confident | 99 Ų | 99 | 77.7 Ų | 77.7 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 175.6 | -68.9 | 164.5 | 0 | 0 | 0 | 110.4 | Q124 S125 L130 S131 F132 | Q124-I128 HydrophobicContact CG-CD1 3.95Å; Q124-I128 VanDerWaalsContact O-CG1 3.25Å; Q124-I128 WeakPolarHBondContact O-CG1 3.44Å; Q124-I128 PolarHBondContact O-N 3.1Å; S125-I128 PolarHBondContact O-N 2.64Å; I128-L130 PolarHBondContact O-N 3.01Å; I128-S131 PolarHBondContact O-N 3.47Å; I128-F132 WeakPolarHBondContact O-CB 3.45Å; I128-F132 PolarHBondContact O-N 2.81Å |
| 129 | F | 89.2 | Confident | 87.2 | Confident | 134 Ų | 134 | 78.7 Ų | 78.7 | 59% | 0.588 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.5 | -44.8 | 178.9 | -89.7 | -72.9 | 0 | 0 | 0 | 112.1 | S125 A126 T133 | S125-F129 VanDerWaalsContact O-CD2 3.26Å; S125-F129 WeakPolarHBondContact O-CD2 3.5Å; S125-F129 PolarHBondContact O-N 2.9Å; A126-F129 PolarHBondContact O-N 3.49Å; F129-T133 VanDerWaalsContact O-CB 3.27Å; F129-T133 WeakPolarHBondContact O-CB 3.3Å; F129-T133 PolarHBondContact O-N 3.24Å; F129-T133 PolarHBondContact O-OG1 2.84Å |
| 130 | L | 89.4 | Confident | 87.3 | Confident | 83 Ų | 83 | 76.4 Ų | 76.4 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 177.9 | -72 | 170 | 0 | 0 | 0 | 111.4 | A126 S127 I128 F132 T133 F134 F216 | A126-L130 WeakPolarHBondContact O-CB 3.31Å; A126-L130 VanDerWaalsContact O-CG 3.23Å; A126-L130 WeakPolarHBondContact O-CG 3.47Å; A126-L130 PolarHBondContact O-N 3.47Å; S127-L130 PolarHBondContact O-N 2.96Å; I128-L130 PolarHBondContact O-N 3.01Å; L130-F132 PolarHBondContact O-N 2.77Å; L130-T133 PolarHBondContact O-N 2.97Å; L130-F134 VanDerWaalsContact O-CB 3.27Å; L130-F134 WeakPolarHBondContact O-CB 3.5Å; L130-F134 PolarHBondContact O-N 3.48Å; L130-F216 HydrophobicContact CD2-CE2 4.26Å; L130-F216 HydrophobicContact CD2-CZ 4.01Å; L130-F216 WeakPolarHBondContact O-CE2 3.4Å |
| 131 | S | 87.7 | Confident | 87.3 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 178.6 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | S127 I128 F134 G135 | S127-S131 VanDerWaalsContact O-CB 3.27Å; S127-S131 WeakPolarHBondContact O-CB 3.49Å; S127-S131 PolarHBondContact O-N 3.22Å; S127-S131 PolarHBondContact O-OG 3.15Å; I128-S131 PolarHBondContact O-N 3.47Å; S131-F134 PolarHBondContact O-N 3.44Å; S131-G135 PolarHBondContact O-N 3Å |
| 132 | F | 88.9 | Confident | 87.2 | Confident | 123 Ų | 123 | 70.5 Ų | 70.5 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.3 | -48.9 | 176.3 | -170.2 | -89.1 | 0 | 0 | 0 | 111 | I128 L130 F134 G135 F136 | I128-F132 WeakPolarHBondContact O-CB 3.45Å; I128-F132 PolarHBondContact O-N 2.81Å; L130-F132 PolarHBondContact O-N 2.77Å; F132-F134 PolarHBondContact O-N 3.24Å; F132-G135 PolarHBondContact O-N 3.18Å; F132-G135 VanDerWaalsContact O-N 3.14Å; F132-F136 AromaticContact CD1-CD2 3.55Å; F132-F136 HydrophobicContact CD1-CD2 3.55Å; F132-F136 HydrophobicContact CD1-CE2 4.05Å; F132-F136 HydrophobicContact CD1-CG 4.27Å; F132-F136 AromaticContact CD2-CD2 3.68Å; F132-F136 HydrophobicContact CD2-CD2 3.68Å; F132-F136 AromaticContact CD2-CE2 3.39Å; F132-F136 HydrophobicContact CD2-CE2 3.39Å; F132-F136 HydrophobicContact CD2-CZ 4.43Å; F132-F136 AromaticContact CE1-CD2 3.37Å; F132-F136 HydrophobicContact CE1-CD2 3.37Å; F132-F136 AromaticContact CE1-CE2 3.66Å; F132-F136 HydrophobicContact CE1-CE2 3.66Å; F132-F136 AromaticContact CE1-CG 3.88Å; F132-F136 HydrophobicContact CE1-CG 3.88Å; F132-F136 HydrophobicContact CE1-CZ 4.31Å; F132-F136 AromaticContact CE2-CD2 3.55Å; F132-F136 HydrophobicContact CE2-CD2 3.55Å; F132-F136 AromaticContact CE2-CE2 2.95Å; F132-F136 HydrophobicContact CE2-CE2 2.95Å; F132-F136 AromaticContact CE2-CZ 3.61Å; F132-F136 HydrophobicContact CE2-CZ 3.61Å; F132-F136 AromaticContact CG-CD2 3.7Å; F132-F136 HydrophobicContact CG-CD2 3.7Å; F132-F136 AromaticContact CG-CE2 3.93Å; F132-F136 HydrophobicContact CG-CE2 3.93Å; F132-F136 HydrophobicContact CZ-CD1 4.43Å; F132-F136 AromaticContact CZ-CD2 3.37Å; F132-F136 HydrophobicContact CZ-CD2 3.37Å; F132-F136 HydrophobicContact CZ-CE1 4.18Å; F132-F136 AromaticContact CZ-CE2 3.1Å; F132-F136 HydrophobicContact CZ-CE2 3.1Å; F132-F136 HydrophobicContact CZ-CG 4.07Å; F132-F136 AromaticContact CZ-CZ 3.52Å; F132-F136 HydrophobicContact CZ-CZ 3.52Å; F132-F136 WeakPolarHBondContact O-CB 3.37Å; F132-F136 VanDerWaalsContact O-CD2 3.3Å; F132-F136 WeakPolarHBondContact O-CD2 3.34Å; F132-F136 PolarHBondContact O-N 3.43Å |
| 133 | T | 87.5 | Confident | 87.1 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 10% | 0.104 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.1 | -40.7 | 178.9 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | F129 L130 S137 F216 L219 | F129-T133 VanDerWaalsContact O-CB 3.27Å; F129-T133 WeakPolarHBondContact O-CB 3.3Å; F129-T133 PolarHBondContact O-N 3.24Å; F129-T133 PolarHBondContact O-OG1 2.84Å; L130-T133 PolarHBondContact O-N 2.97Å; T133-S137 VanDerWaalsContact O-CB 3.29Å; T133-S137 WeakPolarHBondContact O-CB 3.33Å; T133-S137 PolarHBondContact O-N 2.84Å; T133-F216 HydrophobicContact CG2-CD2 3.94Å; T133-F216 HydrophobicContact CG2-CE2 4.29Å; T133-L219 HydrophobicContact CG2-CB 3.63Å; T133-L219 HydrophobicContact CG2-CD1 3.79Å; T133-L219 HydrophobicContact CG2-CG 4.31Å |
| 134 | F | 87.9 | Confident | 86.9 | Confident | 82 Ų | 82 | 68.6 Ų | 68.6 | 36% | 0.36 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 175.8 | -177 | -99.6 | 0 | 0 | 0 | 112.2 | L130 S131 F132 F136 S137 L213 F216 | L130-F134 VanDerWaalsContact O-CB 3.27Å; L130-F134 WeakPolarHBondContact O-CB 3.5Å; L130-F134 PolarHBondContact O-N 3.48Å; S131-F134 PolarHBondContact O-N 3.44Å; F132-F134 PolarHBondContact O-N 3.24Å; F134-F136 PolarHBondContact O-N 3.43Å; F134-S137 WeakPolarHBondContact O-CB 3.36Å; F134-S137 PolarHBondContact O-N 3.27Å; F134-L213 HydrophobicContact CE2-CD2 4.1Å; F134-F216 HydrophobicContact CB-CD2 3.8Å; F134-F216 HydrophobicContact CB-CE2 3.74Å; F134-F216 HydrophobicContact CB-CZ 4.41Å; F134-F216 HydrophobicContact CD2-CB 4.48Å; F134-F216 HydrophobicContact CD2-CD1 4.18Å; F134-F216 HydrophobicContact CD2-CD2 4.12Å; F134-F216 HydrophobicContact CD2-CE1 4.44Å; F134-F216 HydrophobicContact CD2-CE2 4.4Å; F134-F216 AromaticContact CD2-CG 4Å; F134-F216 HydrophobicContact CD2-CG 4Å; F134-F216 HydrophobicContact CG-CD2 4.49Å |
| 135 | G | 84.9 | Confident | 86.5 | Confident | 49 Ų | 49 | 67.9 Ų | 67.9 | 51% | 0.505 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S131 F132 P138 | S131-G135 PolarHBondContact O-N 3Å; F132-G135 PolarHBondContact O-N 3.18Å; F132-G135 VanDerWaalsContact O-N 3.14Å; G135-P138 WeakPolarHBondContact O-CD 3.41Å |
| 136 | F | 86 | Confident | 86.4 | Confident | 91 Ų | 91 | 70.6 Ų | 70.6 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -87.8 | -13.8 | 179.4 | -79.5 | -88.4 | 0 | 0 | 0 | 114 | F132 F134 P138 V139 L140 | F132-F136 AromaticContact CD1-CD2 3.55Å; F132-F136 HydrophobicContact CD1-CD2 3.55Å; F132-F136 HydrophobicContact CD1-CE2 4.05Å; F132-F136 HydrophobicContact CD1-CG 4.27Å; F132-F136 AromaticContact CD2-CD2 3.68Å; F132-F136 HydrophobicContact CD2-CD2 3.68Å; F132-F136 AromaticContact CD2-CE2 3.39Å; F132-F136 HydrophobicContact CD2-CE2 3.39Å; F132-F136 HydrophobicContact CD2-CZ 4.43Å; F132-F136 AromaticContact CE1-CD2 3.37Å; F132-F136 HydrophobicContact CE1-CD2 3.37Å; F132-F136 AromaticContact CE1-CE2 3.66Å; F132-F136 HydrophobicContact CE1-CE2 3.66Å; F132-F136 AromaticContact CE1-CG 3.88Å; F132-F136 HydrophobicContact CE1-CG 3.88Å; F132-F136 HydrophobicContact CE1-CZ 4.31Å; F132-F136 AromaticContact CE2-CD2 3.55Å; F132-F136 HydrophobicContact CE2-CD2 3.55Å; F132-F136 AromaticContact CE2-CE2 2.95Å; F132-F136 HydrophobicContact CE2-CE2 2.95Å; F132-F136 AromaticContact CE2-CZ 3.61Å; F132-F136 HydrophobicContact CE2-CZ 3.61Å; F132-F136 AromaticContact CG-CD2 3.7Å; F132-F136 HydrophobicContact CG-CD2 3.7Å; F132-F136 AromaticContact CG-CE2 3.93Å; F132-F136 HydrophobicContact CG-CE2 3.93Å; F132-F136 HydrophobicContact CZ-CD1 4.43Å; F132-F136 AromaticContact CZ-CD2 3.37Å; F132-F136 HydrophobicContact CZ-CD2 3.37Å; F132-F136 HydrophobicContact CZ-CE1 4.18Å; F132-F136 AromaticContact CZ-CE2 3.1Å; F132-F136 HydrophobicContact CZ-CE2 3.1Å; F132-F136 HydrophobicContact CZ-CG 4.07Å; F132-F136 AromaticContact CZ-CZ 3.52Å; F132-F136 HydrophobicContact CZ-CZ 3.52Å; F132-F136 WeakPolarHBondContact O-CB 3.37Å; F132-F136 VanDerWaalsContact O-CD2 3.3Å; F132-F136 WeakPolarHBondContact O-CD2 3.34Å; F132-F136 PolarHBondContact O-N 3.43Å; F134-F136 PolarHBondContact O-N 3.43Å; F136-P138 VanDerWaalsContact C-CD 3.48Å; F136-V139 WeakPolarHBondContact O-CA 3.3Å; F136-V139 WeakPolarHBondContact O-CB 3.28Å; F136-V139 PolarHBondContact O-N 3.06Å; F136-L140 HydrophobicContact CB-CD1 4.5Å; F136-L140 WeakPolarHBondContact O-CG 3.41Å; F136-L140 PolarHBondContact O-N 3.33Å |
| 137 | S | 86.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -50.3 | -46.5 | 179.9 | 176.1 | 0 | 0 | 0 | 0 | 113.8 | T133 F134 V139 L140 R141 S212 T215 F216 | T133-S137 VanDerWaalsContact O-CB 3.29Å; T133-S137 WeakPolarHBondContact O-CB 3.33Å; T133-S137 PolarHBondContact O-N 2.84Å; F134-S137 WeakPolarHBondContact O-CB 3.36Å; F134-S137 PolarHBondContact O-N 3.27Å; S137-V139 VanDerWaalsContact C-N 3.3Å; S137-V139 PolarHBondContact O-N 2.84Å; S137-L140 PolarHBondContact O-N 3.4Å; S137-R141 PolarHBondContact O-N 2.85Å; S137-S212 PolarHBondContact OG-O 2.98Å; S137-T215 VanDerWaalsContact OG-CB 3.28Å; S137-T215 WeakPolarHBondContact OG-CB 3.27Å; S137-F216 PolarHBondContact OG-N 3.1Å; S137-F216 VanDerWaalsContact OG-N 3.14Å |
| 138 | P | 82.6 | Confident | 86.5 | Confident | 59 Ų | 59 | 72.6 Ų | 72.6 | 38% | 0.383 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 176.1 | -20.2 | 31.9 | 0 | 0 | 0 | 113.4 | G135 F136 T142 | G135-P138 WeakPolarHBondContact O-CD 3.41Å; F136-P138 VanDerWaalsContact C-CD 3.48Å; P138-T142 WeakPolarHBondContact O-CB 3.3Å; P138-T142 VanDerWaalsContact O-CG2 3.31Å; P138-T142 WeakPolarHBondContact O-CG2 3.44Å; P138-T142 PolarHBondContact O-N 3.15Å; P138-T142 PolarHBondContact O-OG1 3.19Å |
| 139 | V | 85.8 | Confident | 86.4 | Confident | 70 Ų | 70 | 71.2 Ų | 71.2 | 42% | 0.424 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.3 | -46.3 | 179.5 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | F136 S137 R141 T142 L143 | F136-V139 WeakPolarHBondContact O-CA 3.3Å; F136-V139 WeakPolarHBondContact O-CB 3.28Å; F136-V139 PolarHBondContact O-N 3.06Å; S137-V139 VanDerWaalsContact C-N 3.3Å; S137-V139 PolarHBondContact O-N 2.84Å; V139-R141 VanDerWaalsContact C-N 3.29Å; V139-R141 PolarHBondContact O-N 3.38Å; V139-T142 WeakPolarHBondContact CA-OG1 3.36Å; V139-T142 PolarHBondContact O-N 3.11Å; V139-T142 PolarHBondContact O-OG1 2.82Å; V139-L143 HydrophobicContact CG1-CD1 3.99Å; V139-L143 HydrophobicContact CG1-CG 4.35Å; V139-L143 WeakPolarHBondContact O-CB 3.33Å; V139-L143 VanDerWaalsContact O-CG 3.25Å; V139-L143 WeakPolarHBondContact O-CG 3.38Å; V139-L143 PolarHBondContact O-N 3.26Å |
| 140 | L | 84.1 | Confident | 86.6 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 30% | 0.298 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 178.3 | -68.9 | 173.8 | 0 | 0 | 0 | 111.9 | F136 S137 T144 V188 L219 | F136-L140 HydrophobicContact CB-CD1 4.5Å; F136-L140 WeakPolarHBondContact O-CG 3.41Å; F136-L140 PolarHBondContact O-N 3.33Å; S137-L140 PolarHBondContact O-N 3.4Å; L140-T144 PolarHBondContact O-OG1 3.47Å; L140-V188 HydrophobicContact CB-CG1 3.89Å; L140-V188 HydrophobicContact CB-CG2 4.28Å; L140-V188 HydrophobicContact CD1-CG2 4.26Å; L140-V188 VanDerWaalsContact O-CG1 3.3Å; L140-V188 WeakPolarHBondContact O-CG1 3.34Å; L140-L219 HydrophobicContact CD1-CD1 3.57Å |
| 141 | R | 82.6 | Confident | 86.8 | Confident | 23 Ų | 23 | 70 Ų | 70 | 9% | 0.087 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.4 | -55.3 | 174.7 | -178.8 | 177.2 | 172.4 | 130.7 | 9.6 | 111.6 | S137 V139 L143 T144 E145 L194 S211 T215 | S137-R141 PolarHBondContact O-N 2.85Å; V139-R141 VanDerWaalsContact C-N 3.29Å; V139-R141 PolarHBondContact O-N 3.38Å; R141-L143 VanDerWaalsContact C-N 3.27Å; R141-L143 PolarHBondContact O-N 3.49Å; R141-T144 PolarHBondContact O-N 2.69Å; R141-T144 VanDerWaalsContact O-N 3.08Å; R141-T144 PolarHBondContact O-OG1 3.34Å; R141-E145 WeakPolarHBondContact O-CB 3.35Å; R141-E145 PolarHBondContact O-N 2.93Å; R141-L194 PolarHBondContact NH2-O 3.33Å; R141-S211 VanDerWaalsContact NH1-CB 3.31Å; R141-S211 PolarHBondContact NH1-O 3.45Å; R141-T215 HydrophobicContact CB-CG2 4.39Å |
| 142 | T | 85.1 | Confident | 87 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.4 | -31.6 | -174.4 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | P138 V139 T144 | P138-T142 WeakPolarHBondContact O-CB 3.3Å; P138-T142 VanDerWaalsContact O-CG2 3.31Å; P138-T142 WeakPolarHBondContact O-CG2 3.44Å; P138-T142 PolarHBondContact O-N 3.15Å; P138-T142 PolarHBondContact O-OG1 3.19Å; V139-T142 WeakPolarHBondContact CA-OG1 3.36Å; V139-T142 PolarHBondContact O-N 3.11Å; V139-T142 PolarHBondContact O-OG1 2.82Å; T142-T144 VanDerWaalsContact C-N 3.3Å; T142-T144 PolarHBondContact O-N 3.12Å |
| 143 | L | 84.1 | Confident | 87.3 | Confident | 116 Ų | 116 | 64.8 Ų | 64.8 | 61% | 0.607 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.9 | -32.1 | 174.9 | -73.6 | 173.3 | 0 | 0 | 0 | 113.6 | V139 R141 | V139-L143 HydrophobicContact CG1-CD1 3.99Å; V139-L143 HydrophobicContact CG1-CG 4.35Å; V139-L143 WeakPolarHBondContact O-CB 3.33Å; V139-L143 VanDerWaalsContact O-CG 3.25Å; V139-L143 WeakPolarHBondContact O-CG 3.38Å; V139-L143 PolarHBondContact O-N 3.26Å; R141-L143 VanDerWaalsContact C-N 3.27Å; R141-L143 PolarHBondContact O-N 3.49Å |
| 144 | T | 83.4 | Confident | 87.7 | Confident | 16 Ų | 16 | 66.4 Ų | 66.4 | 10% | 0.098 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -101.4 | -11.8 | -176.8 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | L140 R141 T142 S146 V147 V188 S192 | L140-T144 PolarHBondContact O-OG1 3.47Å; R141-T144 PolarHBondContact O-N 2.69Å; R141-T144 VanDerWaalsContact O-N 3.08Å; R141-T144 PolarHBondContact O-OG1 3.34Å; T142-T144 VanDerWaalsContact C-N 3.3Å; T142-T144 PolarHBondContact O-N 3.12Å; T144-S146 PolarHBondContact O-N 3.39Å; T144-V147 PolarHBondContact O-N 3.15Å; T144-V188 HydrophobicContact CG2-CG1 3.87Å; T144-S192 VanDerWaalsContact OG1-CB 3.22Å; T144-S192 WeakPolarHBondContact OG1-CB 3.36Å |
| 145 | E | 83.8 | Confident | 88 | Confident | 91 Ų | 91 | 66 Ų | 66 | 43% | 0.425 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.4 | -34.6 | -178.4 | -174.8 | 166.3 | -156.7 | 0 | 0 | 113.3 | R141 V147 R193 | R141-E145 WeakPolarHBondContact O-CB 3.35Å; R141-E145 PolarHBondContact O-N 2.93Å; E145-V147 PolarHBondContact O-N 2.82Å; E145-R193 VanDerWaalsContact CA-NH2 3.31Å; E145-R193 PolarHBondContact O-NH2 3.27Å |
| 146 | S | 86 | Confident | 88.5 | Confident | 107 Ų | 107 | 64 Ų | 64 | 75% | 0.748 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -10 | -179.4 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | T144 | T144-S146 PolarHBondContact O-N 3.39Š|
| 147 | V | 88.9 | Confident | 89 | Confident | 59 Ų | 59 | 62.5 Ų | 62.5 | 36% | 0.358 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -82.2 | 143 | -179.2 | -175.6 | 0 | 0 | 0 | 0 | 110 | T144 E145 T151 V152 R193 | T144-V147 PolarHBondContact O-N 3.15Å; E145-V147 PolarHBondContact O-N 2.82Å; V147-T151 WeakPolarHBondContact CG1-OG1 3.5Å; V147-V152 HydrophobicContact CB-CG2 3.95Å; V147-V152 HydrophobicContact CG1-CG2 3.86Å; V147-R193 PolarHBondContact O-NH1 2.83Å |
| 148 | C | 89.9 | Confident | 89.5 | Confident | 88 Ų | 88 | 67.4 Ų | 67.4 | 60% | 0.595 | 39% | 0.393 | S | S | * | . | trans | -58.9 | 147.4 | 176.9 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | D150 T151 V152 | C148-D150 PolarHBondContact O-N 3.24Å; C148-T151 HydrophobicContact CB-CG2 4.48Å; C148-T151 PolarHBondContact O-N 2.79Å; C148-T151 PolarHBondContact O-OG1 2.92Å; C148-V152 VanDerWaalsContact O-CG2 3.31Å; C148-V152 WeakPolarHBondContact O-CG2 3.33Å; C148-V152 PolarHBondContact O-N 3.49Å | ||
| 149 | T | 89.7 | Confident | 90.2 | Very high | 69 Ų | 69 | 67 Ų | 67 | 42% | 0.423 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | -178.9 | 48 | 0 | 0 | 0 | 0 | 112.8 | T151 V152 Y153 | T149-T151 VanDerWaalsContact C-N 3.34Å; T149-T151 PolarHBondContact O-N 3.24Å; T149-V152 WeakPolarHBondContact O-CB 3.46Å; T149-V152 PolarHBondContact O-N 3.03Å; T149-Y153 VanDerWaalsContact O-CD2 3.3Å; T149-Y153 WeakPolarHBondContact O-CD2 3.47Å; T149-Y153 PolarHBondContact O-N 3.39Å |
| 150 | D | 93 | Very high | 90.7 | Very high | 125 Ų | 125 | 64.2 Ų | 64.2 | 67% | 0.668 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.9 | -39.8 | -177.6 | -57.6 | -24.4 | 0 | 0 | 0 | 111.4 | C148 Y153 A154 | C148-D150 PolarHBondContact O-N 3.24Å; D150-Y153 PolarHBondContact O-N 3.29Å; D150-A154 WeakPolarHBondContact O-CB 3.48Å; D150-A154 PolarHBondContact O-N 2.97Å |
| 151 | T | 93.5 | Very high | 91.4 | Very high | 66 Ų | 66 | 66.4 Ų | 66.4 | 41% | 0.405 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.7 | -35 | 176.6 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | V147 C148 T149 A154 M155 | V147-T151 WeakPolarHBondContact CG1-OG1 3.5Å; C148-T151 HydrophobicContact CB-CG2 4.48Å; C148-T151 PolarHBondContact O-N 2.79Å; C148-T151 PolarHBondContact O-OG1 2.92Å; T149-T151 VanDerWaalsContact C-N 3.34Å; T149-T151 PolarHBondContact O-N 3.24Å; T151-A154 PolarHBondContact O-N 3.3Å; T151-M155 VanDerWaalsContact O-CB 3.29Å; T151-M155 WeakPolarHBondContact O-CB 3.41Å; T151-M155 WeakPolarHBondContact O-CG 3.44Å; T151-M155 PolarHBondContact O-N 2.85Å |
| 152 | V | 93.2 | Very high | 92 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 172.1 | 167.5 | 0 | 0 | 0 | 0 | 111 | V147 C148 T149 M155 T156 C189 R193 | V147-V152 HydrophobicContact CB-CG2 3.95Å; V147-V152 HydrophobicContact CG1-CG2 3.86Å; C148-V152 VanDerWaalsContact O-CG2 3.31Å; C148-V152 WeakPolarHBondContact O-CG2 3.33Å; C148-V152 PolarHBondContact O-N 3.49Å; T149-V152 WeakPolarHBondContact O-CB 3.46Å; T149-V152 PolarHBondContact O-N 3.03Å; V152-M155 PolarHBondContact O-N 2.87Å; V152-T156 WeakPolarHBondContact O-CB 3.43Å; V152-T156 PolarHBondContact O-N 3.5Å; V152-T156 PolarHBondContact O-OG1 3.46Å; V152-C189 HydrophobicContact CG1-CB 3.99Å; V152-C189 VanDerWaalsContact CG1-O 3.25Å; V152-C189 WeakPolarHBondContact CG1-O 3.39Å; V152-R193 HydrophobicContact CG1-CG 3.9Å |
| 153 | Y | 94.4 | Very high | 92.6 | Very high | 90 Ų | 90 | 63.1 Ų | 63.1 | 35% | 0.353 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 178.1 | -65.6 | -44.2 | 0 | 0 | 0 | 112.7 | W75 E79 T149 D150 T156 A157 L190 | W75-Y153 AromaticContact CH2-CE1 3.6Å; W75-Y153 HydrophobicContact CH2-CE1 3.6Å; W75-Y153 HydrophobicContact CZ2-CE1 4.12Å; W75-Y153 HydrophobicContact CZ3-CE1 4.39Å; E79-Y153 PolarHBondContact OE1-OH 3.46Å; T149-Y153 VanDerWaalsContact O-CD2 3.3Å; T149-Y153 WeakPolarHBondContact O-CD2 3.47Å; T149-Y153 PolarHBondContact O-N 3.39Å; D150-Y153 PolarHBondContact O-N 3.29Å; Y153-T156 PolarHBondContact O-N 3.2Å; Y153-A157 WeakPolarHBondContact O-CB 3.3Å; Y153-A157 PolarHBondContact O-N 2.95Å; Y153-L190 HydrophobicContact CD1-CD2 4.3Å; Y153-L190 HydrophobicContact CE1-CD2 4.27Å |
| 154 | A | 95.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 59.4 Ų | 59.4 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | D150 T151 A157 L158 | D150-A154 WeakPolarHBondContact O-CB 3.48Å; D150-A154 PolarHBondContact O-N 2.97Å; T151-A154 PolarHBondContact O-N 3.3Å; A154-A157 PolarHBondContact O-N 3.43Å; A154-L158 WeakPolarHBondContact O-CG 3.23Å; A154-L158 PolarHBondContact O-N 2.86Å |
| 155 | M | 94.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 64 Ų | 64 | 37% | 0.365 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 178.9 | -71.6 | -58.7 | -63.5 | 0 | 0 | 111.8 | T151 V152 A157 L158 M159 F185 | T151-M155 VanDerWaalsContact O-CB 3.29Å; T151-M155 WeakPolarHBondContact O-CB 3.41Å; T151-M155 WeakPolarHBondContact O-CG 3.44Å; T151-M155 PolarHBondContact O-N 2.85Å; V152-M155 PolarHBondContact O-N 2.87Å; M155-A157 PolarHBondContact O-N 3.33Å; M155-L158 PolarHBondContact O-N 3.48Å; M155-L158 HydrophobicContact SD-CD1 4.5Å; M155-M159 HydrophobicContact CE-CE 4.02Å; M155-M159 VanDerWaalsContact O-CB 3.27Å; M155-M159 WeakPolarHBondContact O-CB 3.43Å; M155-M159 WeakPolarHBondContact O-CG 3.36Å; M155-M159 PolarHBondContact O-N 3.27Å; M155-F185 HydrophobicContact CB-CE1 4.4Å; M155-F185 HydrophobicContact CE-CE1 4.28Å |
| 156 | T | 96.2 | Very high | 94.1 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58 | -48.4 | 173.2 | -65.2 | 0 | 0 | 0 | 0 | 111.2 | V152 Y153 L158 M159 L160 A186 C189 L190 | V152-T156 WeakPolarHBondContact O-CB 3.43Å; V152-T156 PolarHBondContact O-N 3.5Å; V152-T156 PolarHBondContact O-OG1 3.46Å; Y153-T156 PolarHBondContact O-N 3.2Å; T156-L158 PolarHBondContact O-N 3.42Å; T156-M159 PolarHBondContact O-N 2.98Å; T156-L160 HydrophobicContact CG2-CD1 3.8Å; T156-L160 HydrophobicContact CG2-CG 4.3Å; T156-L160 WeakPolarHBondContact O-CB 3.29Å; T156-L160 WeakPolarHBondContact O-CG 3.35Å; T156-L160 PolarHBondContact O-N 3.47Å; T156-A186 HydrophobicContact CG2-CB 4.06Å; T156-C189 VanDerWaalsContact OG1-CB 3.31Å; T156-C189 WeakPolarHBondContact OG1-CB 3.32Å; T156-L190 HydrophobicContact CG2-CD1 3.61Å; T156-L190 HydrophobicContact CG2-CD2 3.85Å; T156-L190 HydrophobicContact CG2-CG 3.52Å |
| 157 | A | 96.3 | Very high | 94.5 | Very high | 60 Ų | 60 | 56.5 Ų | 56.5 | 50% | 0.496 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y153 A154 M155 M159 L161 | Y153-A157 WeakPolarHBondContact O-CB 3.3Å; Y153-A157 PolarHBondContact O-N 2.95Å; A154-A157 PolarHBondContact O-N 3.43Å; M155-A157 PolarHBondContact O-N 3.33Å; A157-M159 VanDerWaalsContact C-N 3.33Å; A157-M159 PolarHBondContact O-N 3.48Å; A157-L161 WeakPolarHBondContact O-CB 3.35Å; A157-L161 PolarHBondContact O-N 2.64Å |
| 158 | L | 97.1 | Very high | 94.6 | Very high | 103 Ų | 103 | 55.7 Ų | 55.7 | 54% | 0.539 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 175.9 | -71.8 | 174.2 | 0 | 0 | 0 | 112.3 | A154 M155 T156 L161 A162 | A154-L158 WeakPolarHBondContact O-CG 3.23Å; A154-L158 PolarHBondContact O-N 2.86Å; M155-L158 PolarHBondContact O-N 3.48Å; M155-L158 HydrophobicContact SD-CD1 4.5Å; T156-L158 PolarHBondContact O-N 3.42Å; L158-L161 PolarHBondContact O-N 3.27Å; L158-A162 WeakPolarHBondContact O-CB 3.33Å; L158-A162 PolarHBondContact O-N 3.07Å |
| 159 | M | 97 | Very high | 94.5 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 26% | 0.256 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -77 | -34.6 | -177.8 | -68.7 | -71.9 | 144.3 | 0 | 0 | 112.3 | M155 T156 A157 L161 A162 H163 A182 F185 A186 | M155-M159 HydrophobicContact CE-CE 4.02Å; M155-M159 VanDerWaalsContact O-CB 3.27Å; M155-M159 WeakPolarHBondContact O-CB 3.43Å; M155-M159 WeakPolarHBondContact O-CG 3.36Å; M155-M159 PolarHBondContact O-N 3.27Å; T156-M159 PolarHBondContact O-N 2.98Å; A157-M159 VanDerWaalsContact C-N 3.33Å; A157-M159 PolarHBondContact O-N 3.48Å; M159-L161 VanDerWaalsContact C-N 3.35Å; M159-A162 PolarHBondContact O-N 2.61Å; M159-H163 WeakPolarHBondContact O-CB 3.29Å; M159-H163 PolarHBondContact O-N 3.46Å; M159-A182 WeakPolarHBondContact O-CB 3.23Å; M159-A182 HydrophobicContact SD-CB 4.31Å; M159-F185 HydrophobicContact CB-CD1 4.28Å; M159-F185 HydrophobicContact CG-CD1 3.63Å; M159-F185 HydrophobicContact CG-CE1 4.05Å; M159-F185 HydrophobicContact SD-CD1 4.23Å; M159-A186 HydrophobicContact CB-CB 4.03Å |
| 160 | L | 97.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.5 | -36.4 | 169.2 | -68.9 | 173.4 | 0 | 0 | 0 | 111.5 | V68 L72 T156 H163 L164 A186 F226 | V68-L160 HydrophobicContact CG1-CB 4.26Å; V68-L160 HydrophobicContact CG1-CD1 4.02Å; V68-L160 HydrophobicContact CG1-CD2 4.22Å; V68-L160 HydrophobicContact CG1-CG 4.4Å; V68-L160 HydrophobicContact CG2-CD2 4.48Å; L72-L160 HydrophobicContact CD1-CD1 4.21Å; L72-L160 HydrophobicContact CD2-CD1 3.84Å; L72-L160 HydrophobicContact CG-CD1 4.21Å; T156-L160 HydrophobicContact CG2-CD1 3.8Å; T156-L160 HydrophobicContact CG2-CG 4.3Å; T156-L160 WeakPolarHBondContact O-CB 3.29Å; T156-L160 WeakPolarHBondContact O-CG 3.35Å; T156-L160 PolarHBondContact O-N 3.47Å; L160-H163 WeakPolarHBondContact O-CB 3.36Å; L160-H163 PolarHBondContact O-N 3.31Å; L160-L164 WeakPolarHBondContact O-CG 3.34Å; L160-L164 PolarHBondContact O-N 3.44Å; L160-A186 HydrophobicContact CD2-CB 3.8Å; L160-A186 HydrophobicContact CG-CB 3.78Å; L160-F226 HydrophobicContact CD2-CZ 4.42Å |
| 161 | L | 97.1 | Very high | 94 | Very high | 104 Ų | 104 | 55.3 Ų | 55.3 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 172 | -174.2 | 149.3 | 0 | 0 | 0 | 111.3 | A157 L158 M159 H163 L164 V165 | A157-L161 WeakPolarHBondContact O-CB 3.35Å; A157-L161 PolarHBondContact O-N 2.64Å; L158-L161 PolarHBondContact O-N 3.27Å; M159-L161 VanDerWaalsContact C-N 3.35Å; L161-H163 VanDerWaalsContact C-N 3.28Å; L161-H163 PolarHBondContact O-N 2.81Å; L161-L164 PolarHBondContact O-N 2.87Å; L161-V165 HydrophobicContact CD2-CG2 4.04Å; L161-V165 WeakPolarHBondContact O-CG2 3.4Å; L161-V165 PolarHBondContact O-N 2.83Å |
| 162 | A | 96.4 | Very high | 93.3 | Very high | 35 Ų | 35 | 52.3 Ų | 52.3 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L158 M159 V165 A166 A182 | L158-A162 WeakPolarHBondContact O-CB 3.33Å; L158-A162 PolarHBondContact O-N 3.07Å; M159-A162 PolarHBondContact O-N 2.61Å; A162-V165 PolarHBondContact O-N 3.32Å; A162-A166 WeakPolarHBondContact O-CB 3.48Å; A162-A166 PolarHBondContact O-N 3.14Å; A162-A182 HydrophobicContact CB-CB 4.31Å |
| 163 | H | 96.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.1 | -51.6 | 172.8 | 167.4 | 72.3 | 0 | 0 | 0 | 111.5 | M159 L160 L161 F167 S179 A182 A183 F226 | M159-H163 WeakPolarHBondContact O-CB 3.29Å; M159-H163 PolarHBondContact O-N 3.46Å; L160-H163 WeakPolarHBondContact O-CB 3.36Å; L160-H163 PolarHBondContact O-N 3.31Å; L161-H163 VanDerWaalsContact C-N 3.28Å; L161-H163 PolarHBondContact O-N 2.81Å; H163-F167 WeakPolarHBondContact O-CB 3.45Å; H163-F167 PolarHBondContact O-N 3.41Å; H163-S179 PolarHBondContact CE1-OG 3.03Å; H163-S179 VanDerWaalsContact CE1-OG 3.27Å; H163-S179 PolarHBondContact ND1-O 2.93Å; H163-S179 PolarHBondContact ND1-OG 3.23Å; H163-S179 PolarHBondContact O-OG 2.9Å; H163-A182 HydrophobicContact CB-CB 4.25Å; H163-A183 HydrophobicContact CB-CB 4.25Å; H163-F226 AromaticContact CE1-CD1 3.71Å; H163-F226 AromaticContact NE2-CD1 3.29Å; H163-F226 VanDerWaalsContact NE2-CD1 3.29Å; H163-F226 WeakPolarHBondContact NE2-CD1 3.48Å; H163-F226 AromaticContact NE2-CE1 3.72Å |
| 164 | L | 95.8 | Very high | 92.1 | Very high | 39 Ų | 39 | 55.7 Ų | 55.7 | 20% | 0.204 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 178.7 | -68.8 | 172 | 0 | 0 | 0 | 111.8 | Q64 I65 V68 L160 L161 Y169 | Q64-L164 HydrophobicContact CB-CD2 3.8Å; I65-L164 HydrophobicContact CG1-CD1 4.39Å; I65-L164 HydrophobicContact CG1-CD2 4.21Å; V68-L164 HydrophobicContact CG2-CD2 3.89Å; V68-L164 HydrophobicContact CG2-CG 4.22Å; L160-L164 WeakPolarHBondContact O-CG 3.34Å; L160-L164 PolarHBondContact O-N 3.44Å; L161-L164 PolarHBondContact O-N 2.87Å; L164-Y169 VanDerWaalsContact O-CE2 3.23Å; L164-Y169 WeakPolarHBondContact O-CE2 3.46Å; L164-Y169 PolarHBondContact O-OH 3.01Å |
| 165 | V | 95.1 | Very high | 91.3 | Very high | 112 Ų | 112 | 54.5 Ų | 54.5 | 68% | 0.679 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -69.5 | -40.6 | -178.4 | 174 | 0 | 0 | 0 | 0 | 112.1 | L161 A162 F167 | L161-V165 HydrophobicContact CD2-CG2 4.04Å; L161-V165 WeakPolarHBondContact O-CG2 3.4Å; L161-V165 PolarHBondContact O-N 2.83Å; A162-V165 PolarHBondContact O-N 3.32Å; V165-F167 VanDerWaalsContact C-N 3.29Å; V165-F167 PolarHBondContact O-N 2.86Å |
| 166 | A | 93.6 | Very high | 90.8 | Very high | 32 Ų | 32 | 52 Ų | 52 | 26% | 0.264 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -83.8 | -2.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A162 L178 | A162-A166 WeakPolarHBondContact O-CB 3.48Å; A162-A166 PolarHBondContact O-N 3.14Å; A166-L178 HydrophobicContact CB-CB 4.35Å; A166-L178 HydrophobicContact CB-CD2 3.72Å; A166-L178 HydrophobicContact CB-CG 3.94Å |
| 167 | F | 93.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 4% | 0.039 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -69.1 | 128.5 | -178 | -170.7 | -92.5 | 0 | 0 | 0 | 110.7 | Q64 H163 V165 Y169 P172 P230 | Q64-F167 HydrophobicContact CG-CD1 3.91Å; Q64-F167 HydrophobicContact CG-CE1 4.03Å; Q64-F167 HydrophobicContact CG-CG 4.19Å; Q64-F167 HydrophobicContact CG-CZ 4.42Å; H163-F167 WeakPolarHBondContact O-CB 3.45Å; H163-F167 PolarHBondContact O-N 3.41Å; V165-F167 VanDerWaalsContact C-N 3.29Å; V165-F167 PolarHBondContact O-N 2.86Å; F167-Y169 VanDerWaalsContact C-N 3.34Å; F167-Y169 HydrophobicContact CB-CE1 4.46Å; F167-Y169 HydrophobicContact CB-CE2 4.08Å; F167-Y169 AromaticContact CD1-CD1 3.69Å; F167-Y169 HydrophobicContact CD1-CD1 3.69Å; F167-Y169 HydrophobicContact CD1-CD2 4.42Å; F167-Y169 AromaticContact CD1-CE1 3.7Å; F167-Y169 HydrophobicContact CD1-CE1 3.7Å; F167-Y169 HydrophobicContact CD1-CE2 4.46Å; F167-Y169 HydrophobicContact CD1-CG 4.06Å; F167-Y169 HydrophobicContact CE1-CD1 4.27Å; F167-Y169 HydrophobicContact CE1-CE1 4.49Å; F167-Y169 HydrophobicContact CG-CE1 4.44Å; F167-Y169 WeakPolarHBondContact O-CD2 3.46Å; F167-Y169 PolarHBondContact O-N 3.49Å; F167-P172 HydrophobicContact CE1-CB 3.78Å; F167-P172 HydrophobicContact CZ-CB 3.68Å; F167-P230 HydrophobicContact CE2-CB 4.2Å; F167-P230 HydrophobicContact CE2-CG 4.06Å; F167-P230 HydrophobicContact CZ-CB 3.72Å; F167-P230 HydrophobicContact CZ-CG 4.04Å |
| 168 | P | 91.4 | Very high | 90.3 | Very high | 41 Ų | 41 | 59.1 Ų | 59.1 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | trans | -76.2 | 82.9 | -179.2 | 31.3 | -34.8 | 0 | 0 | 0 | 111.2 | A170 H171 P172 | P168-A170 PolarHBondContact O-N 3.23Å; P168-H171 WeakPolarHBondContact CG-O 3.29Å; P168-H171 CarbonylContact O-C 3.13Å; P168-H171 PolarHBondContact O-N 3.08Å; P168-P172 WeakPolarHBondContact O-CA 3.14Å | ||
| 169 | Y | 89 | Confident | 90.2 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -62.6 | -25.6 | -177.6 | -68.3 | -74 | 0 | 0 | 0 | 114.6 | L60 V61 Q64 L164 F167 | L60-Y169 HydrophobicContact CB-CD1 4.36Å; L60-Y169 WeakPolarHBondContact CD1-O 3.38Å; V61-Y169 HydrophobicContact CB-CE1 4.19Å; V61-Y169 HydrophobicContact CG1-CE1 4.4Å; V61-Y169 HydrophobicContact CG2-CD1 3.92Å; V61-Y169 HydrophobicContact CG2-CE1 3.93Å; V61-Y169 HydrophobicContact CG2-CG 4.32Å; Q64-Y169 HydrophobicContact CB-CE1 4.15Å; Q64-Y169 HydrophobicContact CG-CE1 3.71Å; L164-Y169 VanDerWaalsContact O-CE2 3.23Å; L164-Y169 WeakPolarHBondContact O-CE2 3.46Å; L164-Y169 PolarHBondContact O-OH 3.01Å; F167-Y169 VanDerWaalsContact C-N 3.34Å; F167-Y169 HydrophobicContact CB-CE1 4.46Å; F167-Y169 HydrophobicContact CB-CE2 4.08Å; F167-Y169 AromaticContact CD1-CD1 3.69Å; F167-Y169 HydrophobicContact CD1-CD1 3.69Å; F167-Y169 HydrophobicContact CD1-CD2 4.42Å; F167-Y169 AromaticContact CD1-CE1 3.7Å; F167-Y169 HydrophobicContact CD1-CE1 3.7Å; F167-Y169 HydrophobicContact CD1-CE2 4.46Å; F167-Y169 HydrophobicContact CD1-CG 4.06Å; F167-Y169 HydrophobicContact CE1-CD1 4.27Å; F167-Y169 HydrophobicContact CE1-CE1 4.49Å; F167-Y169 HydrophobicContact CG-CE1 4.44Å; F167-Y169 WeakPolarHBondContact O-CD2 3.46Å; F167-Y169 PolarHBondContact O-N 3.49Å |
| 170 | A | 85.3 | Confident | 90.1 | Very high | 74 Ų | 74 | 53.4 Ų | 53.4 | 61% | 0.612 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -74 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P168 | P168-A170 PolarHBondContact O-N 3.23Š|
| 171 | H | 85.1 | Confident | 90 | Very high | 141 Ų | 141 | 57.7 Ų | 57.7 | 65% | 0.653 | 35% | 0.348 | S | S | * | . | trans | -137.8 | 82.4 | -177.9 | -63.6 | -61.9 | 0 | 0 | 0 | 109.4 | P168 S173 | P168-H171 WeakPolarHBondContact CG-O 3.29Å; P168-H171 CarbonylContact O-C 3.13Å; P168-H171 PolarHBondContact O-N 3.08Å; H171-S173 PolarHBondContact O-N 3.39Å | ||
| 172 | P | 80.2 | Confident | 90 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.013 | 33% | 0.325 | C | S | . | . | trans | -70.2 | -8.9 | -175.1 | 27.1 | -37.5 | 0 | 0 | 0 | 114.6 | F167 P168 P174 P230 Q234 | F167-P172 HydrophobicContact CE1-CB 3.78Å; F167-P172 HydrophobicContact CZ-CB 3.68Å; P168-P172 WeakPolarHBondContact O-CA 3.14Å; P172-P174 CarbonylContact O-C 3.5Å; P172-P230 HydrophobicContact CB-CB 4.19Å; P172-Q234 HydrophobicContact CG-CB 3.79Å; P172-Q234 HydrophobicContact CG-CG 3.94Å | ||
| 173 | S | 81 | Confident | 90 | Very high | 54 Ų | 54 | 51.5 Ų | 51.5 | 38% | 0.378 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -125.3 | 121.1 | 178.7 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | H171 | H171-S173 PolarHBondContact O-N 3.39Š|
| 174 | P | 80.9 | Confident | 89.9 | Confident | 110 Ų | 110 | 53.4 Ų | 53.4 | 71% | 0.714 | 32% | 0.321 | S | S | * | . | S | Bend | cis | -71.2 | 155.9 | -3.9 | 30.9 | -35.1 | 0 | 0 | 0 | 112.6 | P172 G176 | P172-P174 CarbonylContact O-C 3.5Å; P174-G176 PolarHBondContact O-N 3.45Å |
| 175 | P | 78 | Confident | 89.8 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 137.3 | 175 | 25.9 | -34.9 | 0 | 0 | 0 | 110.6 | S177 L180 A227 | P175-S177 PolarHBondContact O-N 2.88Å; P175-L180 HydrophobicContact CB-CD1 4.22Å; P175-L180 HydrophobicContact CG-CD1 3.73Å; P175-A227 HydrophobicContact CG-CB 4.18Å |
| 176 | G | 84.5 | Confident | 89.9 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 131.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P174 L178 S179 L180 | P174-G176 PolarHBondContact O-N 3.45Å; G176-L178 VanDerWaalsContact C-N 3.31Å; G176-L178 PolarHBondContact O-N 2.89Å; G176-S179 WeakPolarHBondContact O-CB 3.48Å; G176-S179 PolarHBondContact O-N 3.45Å; G176-S179 VanDerWaalsContact O-N 3.1Å; G176-L180 PolarHBondContact O-N 3.45Å |
| 177 | S | 89.9 | Confident | 89.9 | Confident | 92 Ų | 92 | 49 Ų | 49 | 64% | 0.643 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -56.7 | -41.8 | -175 | 56.1 | 0 | 0 | 0 | 0 | 113 | P175 N181 | P175-S177 PolarHBondContact O-N 2.88Å; S177-N181 VanDerWaalsContact O-CB 3.24Å; S177-N181 WeakPolarHBondContact O-CB 3.42Å; S177-N181 PolarHBondContact O-N 3.32Å; S177-N181 PolarHBondContact O-ND2 2.96Å |
| 178 | L | 93.1 | Very high | 89.9 | Confident | 122 Ų | 122 | 49.2 Ų | 49.2 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.6 | -47.7 | 176.6 | -179 | 63.8 | 0 | 0 | 0 | 111.7 | A166 G176 N181 A182 | A166-L178 HydrophobicContact CB-CB 4.35Å; A166-L178 HydrophobicContact CB-CD2 3.72Å; A166-L178 HydrophobicContact CB-CG 3.94Å; G176-L178 VanDerWaalsContact C-N 3.31Å; G176-L178 PolarHBondContact O-N 2.89Å; L178-N181 PolarHBondContact O-N 3.39Å; L178-A182 WeakPolarHBondContact O-CB 3.46Å; L178-A182 PolarHBondContact O-N 2.87Å |
| 179 | S | 94.8 | Very high | 90 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | -179.1 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | H163 G176 A182 A183 | H163-S179 PolarHBondContact CE1-OG 3.03Å; H163-S179 VanDerWaalsContact CE1-OG 3.27Å; H163-S179 PolarHBondContact ND1-O 2.93Å; H163-S179 PolarHBondContact ND1-OG 3.23Å; H163-S179 PolarHBondContact O-OG 2.9Å; G176-S179 WeakPolarHBondContact O-CB 3.48Å; G176-S179 PolarHBondContact O-N 3.45Å; G176-S179 VanDerWaalsContact O-N 3.1Å; S179-A182 PolarHBondContact O-N 3.41Å; S179-A183 PolarHBondContact O-N 3.08Å; S179-A183 VanDerWaalsContact O-N 3.08Å |
| 180 | L | 94.1 | Very high | 90.2 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 17% | 0.173 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 178.7 | -171.4 | 161.8 | 0 | 0 | 0 | 111.1 | P175 G176 A182 A183 L184 A227 | P175-L180 HydrophobicContact CB-CD1 4.22Å; P175-L180 HydrophobicContact CG-CD1 3.73Å; G176-L180 PolarHBondContact O-N 3.45Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 2.91Å; L180-A183 PolarHBondContact O-N 3.03Å; L180-L184 HydrophobicContact CD2-CD1 3.33Å; L180-L184 HydrophobicContact CD2-CG 3.72Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.05Å; L180-A227 HydrophobicContact CD1-CB 3.76Å |
| 181 | N | 95.2 | Very high | 90.5 | Very high | 100 Ų | 100 | 41.3 Ų | 41.3 | 54% | 0.535 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 178.6 | -71.7 | -15.4 | 0 | 0 | 0 | 112 | S177 L178 L184 F185 | S177-N181 VanDerWaalsContact O-CB 3.24Å; S177-N181 WeakPolarHBondContact O-CB 3.42Å; S177-N181 PolarHBondContact O-N 3.32Å; S177-N181 PolarHBondContact O-ND2 2.96Å; L178-N181 PolarHBondContact O-N 3.39Å; N181-L184 PolarHBondContact O-N 2.9Å; N181-F185 WeakPolarHBondContact O-CB 3.35Å; N181-F185 PolarHBondContact O-N 3.29Å |
| 182 | A | 96.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M159 A162 H163 L178 S179 L180 F185 A186 | M159-A182 WeakPolarHBondContact O-CB 3.23Å; M159-A182 HydrophobicContact SD-CB 4.31Å; A162-A182 HydrophobicContact CB-CB 4.31Å; H163-A182 HydrophobicContact CB-CB 4.25Å; L178-A182 WeakPolarHBondContact O-CB 3.46Å; L178-A182 PolarHBondContact O-N 2.87Å; S179-A182 PolarHBondContact O-N 3.41Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 2.91Å; A182-F185 PolarHBondContact O-N 3.41Å; A182-A186 WeakPolarHBondContact O-CB 3.35Å; A182-A186 PolarHBondContact O-N 3.25Å |
| 183 | A | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | H163 S179 L180 A186 S187 F226 | H163-A183 HydrophobicContact CB-CB 4.25Å; S179-A183 PolarHBondContact O-N 3.08Å; S179-A183 VanDerWaalsContact O-N 3.08Å; L180-A183 PolarHBondContact O-N 3.03Å; A183-A186 PolarHBondContact O-N 3.38Å; A183-S187 WeakPolarHBondContact O-CB 3.5Å; A183-S187 PolarHBondContact O-N 2.89Å; A183-F226 HydrophobicContact CB-CB 4.14Å; A183-F226 HydrophobicContact CB-CD1 4.47Å; A183-F226 HydrophobicContact CB-CD2 3.62Å; A183-F226 HydrophobicContact CB-CE2 4.09Å; A183-F226 HydrophobicContact CB-CG 3.83Å |
| 184 | L | 94.9 | Very high | 91.5 | Very high | 42 Ų | 42 | 34.5 Ų | 34.5 | 22% | 0.22 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.6 | -43.1 | 175.5 | -72.2 | -174.7 | 0 | 0 | 0 | 111.6 | L180 N181 A186 S187 V188 L219 A222 L223 | L180-L184 HydrophobicContact CD2-CD1 3.33Å; L180-L184 HydrophobicContact CD2-CG 3.72Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.05Å; N181-L184 PolarHBondContact O-N 2.9Å; L184-A186 PolarHBondContact O-N 3.49Å; L184-S187 WeakPolarHBondContact CA-OG 3.41Å; L184-S187 WeakPolarHBondContact O-CB 3.38Å; L184-S187 PolarHBondContact O-N 3.29Å; L184-S187 VanDerWaalsContact O-N 3.15Å; L184-S187 PolarHBondContact O-OG 3.31Å; L184-V188 WeakPolarHBondContact O-CG2 3.33Å; L184-V188 PolarHBondContact O-N 2.97Å; L184-L219 HydrophobicContact CD2-CD2 4.16Å; L184-A222 HydrophobicContact CD2-CB 4Å; L184-L223 HydrophobicContact CD1-CD2 4.28Å; L184-L223 HydrophobicContact CD2-CD2 3.94Å; L184-L223 HydrophobicContact CD2-CG 4.12Å |
| 185 | F | 94.6 | Very high | 91 | Very high | 91 Ų | 91 | 32.7 Ų | 32.7 | 40% | 0.399 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 175.8 | -178.3 | -89.6 | 0 | 0 | 0 | 111.6 | M155 M159 N181 A182 S187 V188 C189 | M155-F185 HydrophobicContact CB-CE1 4.4Å; M155-F185 HydrophobicContact CE-CE1 4.28Å; M159-F185 HydrophobicContact CB-CD1 4.28Å; M159-F185 HydrophobicContact CG-CD1 3.63Å; M159-F185 HydrophobicContact CG-CE1 4.05Å; M159-F185 HydrophobicContact SD-CD1 4.23Å; N181-F185 WeakPolarHBondContact O-CB 3.35Å; N181-F185 PolarHBondContact O-N 3.29Å; A182-F185 PolarHBondContact O-N 3.41Å; F185-S187 VanDerWaalsContact C-N 3.28Å; F185-S187 PolarHBondContact O-N 2.86Å; F185-V188 PolarHBondContact O-N 3.41Å; F185-C189 WeakPolarHBondContact CE1-SG 3.41Å; F185-C189 WeakPolarHBondContact O-CB 3.34Å; F185-C189 PolarHBondContact O-N 3.41Å; F185-C189 PolarHBondContact O-SG 2.99Å |
| 186 | A | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.3 | -41.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T156 M159 L160 A182 A183 L184 C189 L190 | T156-A186 HydrophobicContact CG2-CB 4.06Å; M159-A186 HydrophobicContact CB-CB 4.03Å; L160-A186 HydrophobicContact CD2-CB 3.8Å; L160-A186 HydrophobicContact CG-CB 3.78Å; A182-A186 WeakPolarHBondContact O-CB 3.35Å; A182-A186 PolarHBondContact O-N 3.25Å; A183-A186 PolarHBondContact O-N 3.38Å; L184-A186 PolarHBondContact O-N 3.49Å; A186-C189 PolarHBondContact O-N 2.9Å; A186-L190 WeakPolarHBondContact O-CG 3.28Å; A186-L190 PolarHBondContact O-N 3.33Å |
| 187 | S | 95.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 177.6 | 77.9 | 0 | 0 | 0 | 0 | 112.9 | F71 A183 L184 F185 A191 L219 | F71-S187 VanDerWaalsContact CZ-CB 3.46Å; A183-S187 WeakPolarHBondContact O-CB 3.5Å; A183-S187 PolarHBondContact O-N 2.89Å; L184-S187 WeakPolarHBondContact CA-OG 3.41Å; L184-S187 WeakPolarHBondContact O-CB 3.38Å; L184-S187 PolarHBondContact O-N 3.29Å; L184-S187 VanDerWaalsContact O-N 3.15Å; L184-S187 PolarHBondContact O-OG 3.31Å; F185-S187 VanDerWaalsContact C-N 3.28Å; F185-S187 PolarHBondContact O-N 2.86Å; S187-A191 WeakPolarHBondContact O-CB 3.34Å; S187-A191 PolarHBondContact O-N 3.18Å; S187-L219 WeakPolarHBondContact OG-CD2 3.49Å |
| 188 | V | 92.9 | Very high | 86.7 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.2 | -45.3 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | L140 T144 L184 F185 L190 A191 S192 L219 | L140-V188 HydrophobicContact CB-CG1 3.89Å; L140-V188 HydrophobicContact CB-CG2 4.28Å; L140-V188 HydrophobicContact CD1-CG2 4.26Å; L140-V188 VanDerWaalsContact O-CG1 3.3Å; L140-V188 WeakPolarHBondContact O-CG1 3.34Å; T144-V188 HydrophobicContact CG2-CG1 3.87Å; L184-V188 WeakPolarHBondContact O-CG2 3.33Å; L184-V188 PolarHBondContact O-N 2.97Å; F185-V188 PolarHBondContact O-N 3.41Å; V188-L190 VanDerWaalsContact C-N 3.34Å; V188-L190 PolarHBondContact O-N 2.83Å; V188-A191 PolarHBondContact O-N 3.18Å; V188-S192 PolarHBondContact O-N 3.08Å; V188-L219 HydrophobicContact CG2-CD1 4.45Å; V188-L219 HydrophobicContact CG2-CD2 3.71Å; V188-L219 HydrophobicContact CG2-CG 4.38Å |
| 189 | C | 93.2 | Very high | 84.2 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.034 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.2 | -50 | 175.6 | -78.7 | 0 | 0 | 0 | 0 | 111.5 | V152 T156 F185 A186 S192 | V152-C189 HydrophobicContact CG1-CB 3.99Å; V152-C189 VanDerWaalsContact CG1-O 3.25Å; V152-C189 WeakPolarHBondContact CG1-O 3.39Å; T156-C189 VanDerWaalsContact OG1-CB 3.31Å; T156-C189 WeakPolarHBondContact OG1-CB 3.32Å; F185-C189 WeakPolarHBondContact CE1-SG 3.41Å; F185-C189 WeakPolarHBondContact O-CB 3.34Å; F185-C189 PolarHBondContact O-N 3.41Å; F185-C189 PolarHBondContact O-SG 2.99Å; A186-C189 PolarHBondContact O-N 2.9Å; C189-S192 PolarHBondContact O-N 3.26Å; C189-S192 PolarHBondContact O-OG 3.32Å |
| 190 | L | 93.4 | Very high | 81.7 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 176 | -74.6 | 176.4 | 0 | 0 | 0 | 112.6 | F71 L72 W75 Y153 T156 A186 V188 S192 R193 | F71-L190 HydrophobicContact CE1-CD1 3.98Å; L72-L190 HydrophobicContact CD2-CD1 3.69Å; W75-L190 HydrophobicContact CD2-CB 4.23Å; W75-L190 HydrophobicContact CD2-CD1 4.38Å; W75-L190 HydrophobicContact CD2-CD2 3.86Å; W75-L190 HydrophobicContact CD2-CG 4.38Å; W75-L190 HydrophobicContact CE3-CD2 4.04Å; W75-L190 HydrophobicContact CG-CB 4.1Å; W75-L190 HydrophobicContact CG-CD1 4.28Å; W75-L190 HydrophobicContact CH2-CD2 4.12Å; W75-L190 HydrophobicContact CZ2-CD2 3.9Å; W75-L190 HydrophobicContact CZ3-CD2 4.16Å; W75-L190 PolarHBondContact NE1-O 3.11Å; Y153-L190 HydrophobicContact CD1-CD2 4.3Å; Y153-L190 HydrophobicContact CE1-CD2 4.27Å; T156-L190 HydrophobicContact CG2-CD1 3.61Å; T156-L190 HydrophobicContact CG2-CD2 3.85Å; T156-L190 HydrophobicContact CG2-CG 3.52Å; A186-L190 WeakPolarHBondContact O-CG 3.28Å; A186-L190 PolarHBondContact O-N 3.33Å; V188-L190 VanDerWaalsContact C-N 3.34Å; V188-L190 PolarHBondContact O-N 2.83Å; L190-S192 PolarHBondContact O-N 3.14Å; L190-R193 PolarHBondContact O-N 2.83Å; L190-R193 VanDerWaalsContact O-N 3.09Å |
| 191 | A | 91 | Very high | 79.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.2 | -32.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S187 V188 R193 L194 T215 M218 | S187-A191 WeakPolarHBondContact O-CB 3.34Å; S187-A191 PolarHBondContact O-N 3.18Å; V188-A191 PolarHBondContact O-N 3.18Å; A191-R193 PolarHBondContact O-N 3.37Å; A191-L194 PolarHBondContact O-N 3.17Å; A191-T215 HydrophobicContact CB-CG2 3.92Å; A191-M218 HydrophobicContact CB-CB 3.95Å; A191-M218 HydrophobicContact CB-CG 4.05Å |
| 192 | S | 90.1 | Very high | 76.9 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.028 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.5 | 177.7 | 81.1 | 0 | 0 | 0 | 0 | 114.5 | T144 V188 C189 L190 | T144-S192 VanDerWaalsContact OG1-CB 3.22Å; T144-S192 WeakPolarHBondContact OG1-CB 3.36Å; V188-S192 PolarHBondContact O-N 3.08Å; C189-S192 PolarHBondContact O-N 3.26Å; C189-S192 PolarHBondContact O-OG 3.32Å; L190-S192 PolarHBondContact O-N 3.14Å |
| 193 | R | 90.3 | Very high | 74.3 | Confident | 49 Ų | 49 | 56 Ų | 56 | 19% | 0.185 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -5.9 | 179.7 | -59.8 | -64.1 | 83.8 | 145.4 | -5.8 | 113.3 | W75 E145 V147 V152 L190 A191 | W75-R193 HydrophobicContact CZ2-CB 4.21Å; E145-R193 VanDerWaalsContact CA-NH2 3.31Å; E145-R193 PolarHBondContact O-NH2 3.27Å; V147-R193 PolarHBondContact O-NH1 2.83Å; V152-R193 HydrophobicContact CG1-CG 3.9Å; L190-R193 PolarHBondContact O-N 2.83Å; L190-R193 VanDerWaalsContact O-N 3.09Å; A191-R193 PolarHBondContact O-N 3.37Å |
| 194 | L | 86 | Confident | 71.8 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -70.2 | 129.8 | 177.5 | -69 | 165.5 | 0 | 0 | 0 | 110.4 | M78 E79 R141 A191 G196 H214 M218 | M78-L194 HydrophobicContact CB-CD2 3.82Å; M78-L194 HydrophobicContact CE-CD1 3.27Å; M78-L194 HydrophobicContact CE-CD2 3.99Å; M78-L194 HydrophobicContact CE-CG 4.28Å; E79-L194 HydrophobicContact CB-CD2 4.21Å; R141-L194 PolarHBondContact NH2-O 3.33Å; A191-L194 PolarHBondContact O-N 3.17Å; L194-G196 PolarHBondContact O-N 2.82Å; L194-H214 HydrophobicContact CB-CB 4.18Å; L194-H214 HydrophobicContact CD1-CB 3.89Å; L194-M218 HydrophobicContact CD1-CG 3.72Å; L194-M218 HydrophobicContact CD1-SD 4.47Å |
| 195 | P | 71.7 | Confident | 69.3 | Low | 72 Ų | 72 | 68.4 Ų | 68.4 | 47% | 0.468 | 41% | 0.41 | S | S | . | . | trans | -60 | 123.9 | 178.1 | 23.8 | -31.3 | 0 | 0 | 0 | 109.1 | ||||
| 196 | G | 61.7 | Low | 66.8 | Low | 13 Ų | 13 | 70 Ų | 70 | 13% | 0.134 | 43% | 0.432 | C | S | . | . | trans | -93.2 | 0.2 | -171 | 0 | 0 | 0 | 0 | 0 | 115.1 | L194 | L194-G196 PolarHBondContact O-N 2.82Š| ||
| 197 | D | 52 | Low | 64.4 | Low | 139 Ų | 139 | 75.9 Ų | 75.9 | 74% | 0.743 | 47% | 0.474 | S | S | * | . | trans | -144.8 | 146.7 | -166.3 | -94.9 | -31.6 | 0 | 0 | 0 | 114.5 | ||||
| 198 | L | 47.3 | Very low | 62.2 | Low | 153 Ų | 153 | 78 Ų | 78 | 80% | 0.801 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 80.6 | 73.4 | 150.9 | -152.6 | 79.5 | 0 | 0 | 0 | 117.4 | ||
| 199 | H | 40.9 | Very low | 60.3 | Low | 176 Ų | 176 | 80.8 Ų | 80.8 | 82% | 0.815 | 51% | 0.508 | S | S | * | . | trans | 165.3 | 68.3 | 135.1 | -98.2 | -92.7 | 0 | 0 | 0 | 111.8 | ||||
| 200 | T | 42.3 | Very low | 58.7 | Low | 139 Ų | 139 | 83.9 Ų | 83.9 | 85% | 0.853 | 53% | 0.528 | S | S | * | . | trans | -134.6 | 83.5 | 158.6 | -38.2 | 0 | 0 | 0 | 0 | 109.6 | G202 | T200-G202 PolarHBondContact O-N 3.48Š| ||
| 201 | S | 43.4 | Very low | 57.3 | Low | 119 Ų | 119 | 85.1 Ų | 85.1 | 83% | 0.832 | 54% | 0.537 | S | S | * | . | trans | -67 | 113.5 | 163.9 | 49.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 202 | G | 44.4 | Very low | 56.7 | Low | 78 Ų | 78 | 85.4 Ų | 85.4 | 80% | 0.804 | 54% | 0.539 | S | S | * | . | trans | 120.7 | 105.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116 | T200 | T200-G202 PolarHBondContact O-N 3.48Š| ||
| 203 | G | 43 | Very low | 56.5 | Low | 79 Ų | 79 | 87.8 Ų | 87.8 | 81% | 0.814 | 55% | 0.552 | S | S | * | * | trans | 117.6 | 99 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 204 | L | 43.3 | Very low | 56.3 | Low | 164 Ų | 164 | 86.8 Ų | 86.8 | 86% | 0.859 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 53.2 | 84.9 | 149.6 | -137.3 | 76.5 | 0 | 0 | 0 | 118 | ||
| 205 | D | 42.6 | Very low | 56.5 | Low | 138 Ų | 138 | 86.7 Ų | 86.7 | 74% | 0.738 | 55% | 0.548 | S | S | * | . | 168 | 97.3 | 118.9 | -80.4 | -18.2 | 0 | 0 | 0 | 110.9 | S207 | D205-S207 PolarHBondContact O-N 3.49Š| |||
| 206 | S | 43.1 | Very low | 57.5 | Low | 124 Ų | 124 | 84.4 Ų | 84.4 | 87% | 0.867 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 100.2 | 174 | 47.4 | 0 | 0 | 0 | 0 | 111 | ||
| 207 | S | 44.4 | Very low | 58.9 | Low | 124 Ų | 124 | 83.8 Ų | 83.8 | 87% | 0.867 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -177.8 | -9 | 153.3 | 50.7 | 0 | 0 | 0 | 0 | 115.4 | D205 | D205-S207 PolarHBondContact O-N 3.49Š|
| 208 | S | 49.7 | Very low | 60.9 | Low | 44 Ų | 44 | 77.2 Ų | 77.2 | 31% | 0.308 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -111.6 | 130.4 | 178.3 | 63.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 209 | S | 53.4 | Low | 63.1 | Low | 70 Ų | 70 | 70.4 Ų | 70.4 | 49% | 0.49 | 45% | 0.454 | S | S | . | . | trans | -57.9 | 126.3 | -179.1 | -172.7 | 0 | 0 | 0 | 0 | 110 | S211 S212 | S209-S211 PolarHBondContact O-N 2.91Å; S209-S211 PolarHBondContact OG-OG 2.92Å; S209-S211 VanDerWaalsContact OG-OG 3.11Å; S209-S212 PolarHBondContact O-N 2.96Å; S209-S212 PolarHBondContact O-OG 2.86Å | ||
| 210 | P | 58.5 | Low | 65.6 | Low | 70 Ų | 70 | 63.1 Ų | 63.1 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -55.5 | -28.4 | -173.2 | 19.9 | -32 | 0 | 0 | 0 | 113.2 | H214 | P210-H214 PolarHBondContact O-CD2 3.36Å |
| 211 | S | 64 | Low | 68.1 | Low | 31 Ų | 31 | 58.2 Ų | 58.2 | 22% | 0.217 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.6 | -28.7 | 177.3 | 59 | 0 | 0 | 0 | 0 | 115.1 | R141 S209 | R141-S211 VanDerWaalsContact NH1-CB 3.31Å; R141-S211 PolarHBondContact NH1-O 3.45Å; S209-S211 PolarHBondContact O-N 2.91Å; S209-S211 PolarHBondContact OG-OG 2.92Å; S209-S211 VanDerWaalsContact OG-OG 3.11Å |
| 212 | S | 78.3 | Confident | 70.6 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -80.8 | -22.8 | -178.3 | 67.4 | 0 | 0 | 0 | 0 | 112.9 | S137 S209 T215 F216 | S137-S212 PolarHBondContact OG-O 2.98Å; S209-S212 PolarHBondContact O-N 2.96Å; S209-S212 PolarHBondContact O-OG 2.86Å; S212-T215 PolarHBondContact O-N 3.47Å; S212-F216 WeakPolarHBondContact O-CB 3.47Å; S212-F216 PolarHBondContact O-N 3.4Å |
| 213 | L | 85.8 | Confident | 73 | Confident | 54 Ų | 54 | 50.9 Ų | 50.9 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 177.5 | -69.3 | 174.1 | 0 | 0 | 0 | 111.9 | F134 F216 T217 | F134-L213 HydrophobicContact CE2-CD2 4.1Å; L213-F216 PolarHBondContact O-N 2.88Å; L213-T217 VanDerWaalsContact O-CB 3.23Å; L213-T217 WeakPolarHBondContact O-CB 3.15Å; L213-T217 PolarHBondContact O-N 3.28Å; L213-T217 PolarHBondContact O-OG1 2.65Å |
| 214 | H | 87.4 | Confident | 75.5 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 13% | 0.13 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 176 | -75.8 | -91.8 | 0 | 0 | 0 | 111.9 | P85 L194 P210 T217 M218 | P85-H214 WeakPolarHBondContact CG-CE1 3.41Å; P85-H214 WeakPolarHBondContact CG-ND1 3.5Å; P85-H214 WeakPolarHBondContact CG-NE2 3.3Å; L194-H214 HydrophobicContact CB-CB 4.18Å; L194-H214 HydrophobicContact CD1-CB 3.89Å; P210-H214 PolarHBondContact O-CD2 3.36Å; H214-T217 PolarHBondContact O-N 3.47Å; H214-M218 WeakPolarHBondContact O-CG 3.49Å; H214-M218 PolarHBondContact O-N 2.86Å |
| 215 | T | 89.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.5 | -41.2 | 179.9 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | S137 R141 A191 S212 T217 M218 L219 | S137-T215 VanDerWaalsContact OG-CB 3.28Å; S137-T215 WeakPolarHBondContact OG-CB 3.27Å; R141-T215 HydrophobicContact CB-CG2 4.39Å; A191-T215 HydrophobicContact CB-CG2 3.92Å; S212-T215 PolarHBondContact O-N 3.47Å; T215-T217 PolarHBondContact O-N 2.93Å; T215-M218 PolarHBondContact O-N 3.27Å; T215-L219 HydrophobicContact CG2-CD1 4.06Å; T215-L219 WeakPolarHBondContact O-CB 3.49Å; T215-L219 WeakPolarHBondContact O-CG 3.27Å; T215-L219 PolarHBondContact O-N 2.86Å |
| 216 | F | 91.5 | Very high | 80.4 | Confident | 24 Ų | 24 | 35.1 Ų | 35.1 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -47.1 | 173.6 | 172.5 | -109.6 | 0 | 0 | 0 | 111.5 | L89 L130 T133 F134 S137 S212 L213 M218 L219 C220 | L89-F216 HydrophobicContact CD1-CD1 4.19Å; L89-F216 HydrophobicContact CD1-CE1 4.22Å; L89-F216 HydrophobicContact CD2-CD1 3.92Å; L89-F216 HydrophobicContact CD2-CE1 3.68Å; L130-F216 HydrophobicContact CD2-CE2 4.26Å; L130-F216 HydrophobicContact CD2-CZ 4.01Å; L130-F216 WeakPolarHBondContact O-CE2 3.4Å; T133-F216 HydrophobicContact CG2-CD2 3.94Å; T133-F216 HydrophobicContact CG2-CE2 4.29Å; F134-F216 HydrophobicContact CB-CD2 3.8Å; F134-F216 HydrophobicContact CB-CE2 3.74Å; F134-F216 HydrophobicContact CB-CZ 4.41Å; F134-F216 HydrophobicContact CD2-CB 4.48Å; F134-F216 HydrophobicContact CD2-CD1 4.18Å; F134-F216 HydrophobicContact CD2-CD2 4.12Å; F134-F216 HydrophobicContact CD2-CE1 4.44Å; F134-F216 HydrophobicContact CD2-CE2 4.4Å; F134-F216 AromaticContact CD2-CG 4Å; F134-F216 HydrophobicContact CD2-CG 4Å; F134-F216 HydrophobicContact CG-CD2 4.49Å; S137-F216 PolarHBondContact OG-N 3.1Å; S137-F216 VanDerWaalsContact OG-N 3.14Å; S212-F216 WeakPolarHBondContact O-CB 3.47Å; S212-F216 PolarHBondContact O-N 3.4Å; L213-F216 PolarHBondContact O-N 2.88Å; F216-M218 PolarHBondContact O-N 3.49Å; F216-L219 PolarHBondContact O-N 3.14Å; F216-C220 VanDerWaalsContact CE2-SG 3.51Å; F216-C220 WeakPolarHBondContact CZ-SG 3.3Å; F216-C220 PolarHBondContact O-N 2.96Å; F216-C220 PolarHBondContact O-SG 3.4Å; F216-C220 VanDerWaalsContact O-SG 3.32Å |
| 217 | T | 92.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | 180 | -58 | 0 | 0 | 0 | 0 | 111.8 | L88 L89 L213 H214 T215 L219 C220 W221 | L88-T217 HydrophobicContact CB-CG2 3.49Å; L88-T217 VanDerWaalsContact CB-CG2 3.49Å; L88-T217 HydrophobicContact CD2-CG2 3.83Å; L88-T217 HydrophobicContact CG-CG2 4.28Å; L89-T217 HydrophobicContact CD2-CG2 4.11Å; L89-T217 HydrophobicContact CG-CG2 4Å; L89-T217 WeakPolarHBondContact CG-OG1 3.27Å; L213-T217 VanDerWaalsContact O-CB 3.23Å; L213-T217 WeakPolarHBondContact O-CB 3.15Å; L213-T217 PolarHBondContact O-N 3.28Å; L213-T217 PolarHBondContact O-OG1 2.65Å; H214-T217 PolarHBondContact O-N 3.47Å; T215-T217 PolarHBondContact O-N 2.93Å; T217-L219 VanDerWaalsContact C-N 3.35Å; T217-L219 PolarHBondContact O-N 2.94Å; T217-C220 PolarHBondContact O-N 3.23Å; T217-W221 PolarHBondContact O-N 3.16Å |
| 218 | M | 93.2 | Very high | 85 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 176.3 | -77.1 | -58.3 | -67.4 | 0 | 0 | 112.3 | F71 W75 M78 A191 L194 H214 T215 F216 W221 A222 | F71-M218 HydrophobicContact CD2-CE 4.41Å; F71-M218 HydrophobicContact CE1-CE 3.94Å; F71-M218 HydrophobicContact CE2-CE 3.49Å; F71-M218 VanDerWaalsContact CE2-CE 3.49Å; F71-M218 HydrophobicContact CZ-CE 3.21Å; W75-M218 HydrophobicContact CB-CE 3.7Å; W75-M218 HydrophobicContact CB-SD 4.28Å; W75-M218 HydrophobicContact CG-CE 4.02Å; M78-M218 HydrophobicContact CE-CG 3.6Å; M78-M218 HydrophobicContact CE-SD 3.31Å; M78-M218 WeakPolarHBondContact CE-SD 3.27Å; A191-M218 HydrophobicContact CB-CB 3.95Å; A191-M218 HydrophobicContact CB-CG 4.05Å; L194-M218 HydrophobicContact CD1-CG 3.72Å; L194-M218 HydrophobicContact CD1-SD 4.47Å; H214-M218 WeakPolarHBondContact O-CG 3.49Å; H214-M218 PolarHBondContact O-N 2.86Å; T215-M218 PolarHBondContact O-N 3.27Å; F216-M218 PolarHBondContact O-N 3.49Å; M218-W221 PolarHBondContact O-N 3.39Å; M218-A222 WeakPolarHBondContact O-CB 3.47Å; M218-A222 PolarHBondContact O-N 3.1Å |
| 219 | L | 94 | Very high | 87.1 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 176.5 | -75.6 | 165.4 | 0 | 0 | 0 | 112 | T133 L140 L184 S187 V188 T215 F216 T217 W221 A222 L223 | T133-L219 HydrophobicContact CG2-CB 3.63Å; T133-L219 HydrophobicContact CG2-CD1 3.79Å; T133-L219 HydrophobicContact CG2-CG 4.31Å; L140-L219 HydrophobicContact CD1-CD1 3.57Å; L184-L219 HydrophobicContact CD2-CD2 4.16Å; S187-L219 WeakPolarHBondContact OG-CD2 3.49Å; V188-L219 HydrophobicContact CG2-CD1 4.45Å; V188-L219 HydrophobicContact CG2-CD2 3.71Å; V188-L219 HydrophobicContact CG2-CG 4.38Å; T215-L219 HydrophobicContact CG2-CD1 4.06Å; T215-L219 WeakPolarHBondContact O-CB 3.49Å; T215-L219 WeakPolarHBondContact O-CG 3.27Å; T215-L219 PolarHBondContact O-N 2.86Å; F216-L219 PolarHBondContact O-N 3.14Å; T217-L219 VanDerWaalsContact C-N 3.35Å; T217-L219 PolarHBondContact O-N 2.94Å; L219-W221 VanDerWaalsContact C-N 3.35Å; L219-W221 PolarHBondContact O-N 3.2Å; L219-A222 PolarHBondContact O-N 2.95Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 2.93Å |
| 220 | C | 94 | Very high | 88.9 | Confident | 23 Ų | 23 | 26.2 Ų | 26.2 | 16% | 0.155 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 175.2 | -71.9 | 0 | 0 | 0 | 0 | 111.8 | L89 F216 T217 L223 L224 | L89-C220 HydrophobicContact CD2-CB 4.49Å; F216-C220 VanDerWaalsContact CE2-SG 3.51Å; F216-C220 WeakPolarHBondContact CZ-SG 3.3Å; F216-C220 PolarHBondContact O-N 2.96Å; F216-C220 PolarHBondContact O-SG 3.4Å; F216-C220 VanDerWaalsContact O-SG 3.32Å; T217-C220 PolarHBondContact O-N 3.23Å; C220-L223 PolarHBondContact O-N 3.49Å; C220-L224 WeakPolarHBondContact O-CB 3.37Å; C220-L224 PolarHBondContact O-N 3.19Å |
| 221 | W | 95.1 | Very high | 90.5 | Very high | 36 Ų | 36 | 24.2 Ų | 24.2 | 14% | 0.136 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.6 | -37 | 176.5 | -90.1 | 86.4 | 0 | 0 | 0 | 112.9 | L74 L88 T217 M218 L219 L223 L224 V225 | L74-W221 HydrophobicContact CD1-CD2 3.95Å; L74-W221 HydrophobicContact CD1-CE3 3.49Å; L74-W221 VanDerWaalsContact CD1-CE3 3.49Å; L74-W221 HydrophobicContact CD1-CH2 4.33Å; L74-W221 HydrophobicContact CD1-CZ3 3.71Å; L88-W221 VanDerWaalsContact CD2-CD1 3.42Å; L88-W221 HydrophobicContact CD2-CD2 4.21Å; L88-W221 HydrophobicContact CD2-CG 3.87Å; L88-W221 HydrophobicContact CG-CZ2 4.32Å; L88-W221 PolarHBondContact O-NE1 3.43Å; T217-W221 PolarHBondContact O-N 3.16Å; M218-W221 PolarHBondContact O-N 3.39Å; L219-W221 VanDerWaalsContact C-N 3.35Å; L219-W221 PolarHBondContact O-N 3.2Å; W221-L223 VanDerWaalsContact C-N 3.35Å; W221-L223 PolarHBondContact O-N 3.27Å; W221-L224 HydrophobicContact CD2-CD2 4.41Å; W221-L224 HydrophobicContact CE3-CD2 4.08Å; W221-L224 HydrophobicContact CH2-CD2 4.42Å; W221-L224 HydrophobicContact CZ3-CD2 4.08Å; W221-L224 PolarHBondContact O-N 2.86Å; W221-V225 HydrophobicContact CE3-CG2 3.91Å; W221-V225 HydrophobicContact CZ3-CG2 4.38Å; W221-V225 WeakPolarHBondContact O-CB 3.37Å; W221-V225 VanDerWaalsContact O-CG2 3.3Å; W221-V225 WeakPolarHBondContact O-CG2 3.49Å; W221-V225 PolarHBondContact O-N 3.18Å |
| 222 | A | 95.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61 | -44.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F71 L184 M218 L219 V225 F226 | F71-A222 HydrophobicContact CE2-CB 3.88Å; F71-A222 HydrophobicContact CZ-CB 4.25Å; L184-A222 HydrophobicContact CD2-CB 4Å; M218-A222 WeakPolarHBondContact O-CB 3.47Å; M218-A222 PolarHBondContact O-N 3.1Å; L219-A222 PolarHBondContact O-N 2.95Å; A222-V225 PolarHBondContact O-N 3Å; A222-F226 HydrophobicContact CB-CD2 4.05Å; A222-F226 HydrophobicContact CB-CE2 4.39Å; A222-F226 VanDerWaalsContact O-CB 3.27Å; A222-F226 WeakPolarHBondContact O-CB 3.3Å; A222-F226 VanDerWaalsContact O-CD2 3.29Å; A222-F226 WeakPolarHBondContact O-CD2 3.46Å; A222-F226 PolarHBondContact O-N 3.49Å |
| 223 | L | 94.1 | Very high | 92.4 | Very high | 43 Ų | 43 | 23.6 Ų | 23.6 | 23% | 0.225 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 174.2 | -70.1 | 172.1 | 0 | 0 | 0 | 111.8 | L184 L219 C220 W221 V225 A227 L228 | L184-L223 HydrophobicContact CD1-CD2 4.28Å; L184-L223 HydrophobicContact CD2-CD2 3.94Å; L184-L223 HydrophobicContact CD2-CG 4.12Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 2.93Å; C220-L223 PolarHBondContact O-N 3.49Å; W221-L223 VanDerWaalsContact C-N 3.35Å; W221-L223 PolarHBondContact O-N 3.27Å; L223-V225 PolarHBondContact O-N 3.37Å; L223-A227 HydrophobicContact CD2-CB 4.42Å; L223-A227 WeakPolarHBondContact O-CA 3.49Å; L223-A227 VanDerWaalsContact O-CB 3.27Å; L223-A227 WeakPolarHBondContact O-CB 3.36Å; L223-A227 PolarHBondContact O-N 3.25Å; L223-L228 HydrophobicContact CB-CD1 4.49Å; L223-L228 VanDerWaalsContact O-CD1 3.3Å; L223-L228 WeakPolarHBondContact O-CD1 3.5Å; L223-L228 PolarHBondContact O-N 3.05Å |
| 224 | L | 94.9 | Very high | 92.6 | Very high | 28 Ų | 28 | 21.9 Ų | 21.9 | 15% | 0.147 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -59.8 | -47.3 | 178 | -168.3 | 75.1 | 0 | 0 | 0 | 111.5 | C95 A96 C220 W221 L228 W229 | C95-L224 HydrophobicContact CB-CD2 3.92Å; A96-L224 HydrophobicContact CB-CD1 3.82Å; C220-L224 WeakPolarHBondContact O-CB 3.37Å; C220-L224 PolarHBondContact O-N 3.19Å; W221-L224 HydrophobicContact CD2-CD2 4.41Å; W221-L224 HydrophobicContact CE3-CD2 4.08Å; W221-L224 HydrophobicContact CH2-CD2 4.42Å; W221-L224 HydrophobicContact CZ3-CD2 4.08Å; W221-L224 PolarHBondContact O-N 2.86Å; L224-L228 HydrophobicContact CD1-CD2 4.48Å; L224-W229 VanDerWaalsContact O-CB 3.28Å; L224-W229 WeakPolarHBondContact O-CB 3.42Å; L224-W229 PolarHBondContact O-N 3.12Å |
| 225 | V | 94.7 | Very high | 92.7 | Very high | 18 Ų | 18 | 24 Ų | 24 | 11% | 0.109 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -82.4 | -38.5 | -173.4 | 174.3 | 0 | 0 | 0 | 0 | 113 | C67 W221 A222 L223 W229 | C67-V225 HydrophobicContact CB-CG1 3.59Å; W221-V225 HydrophobicContact CE3-CG2 3.91Å; W221-V225 HydrophobicContact CZ3-CG2 4.38Å; W221-V225 WeakPolarHBondContact O-CB 3.37Å; W221-V225 VanDerWaalsContact O-CG2 3.3Å; W221-V225 WeakPolarHBondContact O-CG2 3.49Å; W221-V225 PolarHBondContact O-N 3.18Å; A222-V225 PolarHBondContact O-N 3Å; L223-V225 PolarHBondContact O-N 3.37Å; V225-W229 WeakPolarHBondContact O-CB 3.35Å |
| 226 | F | 94.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 1% | 0.013 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -101.8 | -18.1 | -173.5 | -57.9 | -58.3 | 0 | 0 | 0 | 114.3 | C67 V68 F71 L160 H163 A183 A222 P230 | C67-F226 HydrophobicContact CB-CE1 4.43Å; V68-F226 HydrophobicContact CG2-CE1 3.74Å; V68-F226 HydrophobicContact CG2-CZ 4.16Å; F71-F226 HydrophobicContact CB-CE2 4.21Å; F71-F226 HydrophobicContact CB-CZ 3.83Å; F71-F226 AromaticContact CD1-CE2 3.95Å; F71-F226 HydrophobicContact CD1-CE2 3.95Å; F71-F226 HydrophobicContact CD1-CZ 4.02Å; F71-F226 HydrophobicContact CD2-CE2 4.01Å; F71-F226 HydrophobicContact CD2-CZ 4.49Å; F71-F226 HydrophobicContact CE1-CE2 4.31Å; F71-F226 HydrophobicContact CE2-CE2 4.39Å; F71-F226 AromaticContact CG-CE2 3.77Å; F71-F226 HydrophobicContact CG-CE2 3.77Å; F71-F226 AromaticContact CG-CZ 3.86Å; F71-F226 HydrophobicContact CG-CZ 3.86Å; L160-F226 HydrophobicContact CD2-CZ 4.42Å; H163-F226 AromaticContact CE1-CD1 3.71Å; H163-F226 AromaticContact NE2-CD1 3.29Å; H163-F226 VanDerWaalsContact NE2-CD1 3.29Å; H163-F226 WeakPolarHBondContact NE2-CD1 3.48Å; H163-F226 AromaticContact NE2-CE1 3.72Å; A183-F226 HydrophobicContact CB-CB 4.14Å; A183-F226 HydrophobicContact CB-CD1 4.47Å; A183-F226 HydrophobicContact CB-CD2 3.62Å; A183-F226 HydrophobicContact CB-CE2 4.09Å; A183-F226 HydrophobicContact CB-CG 3.83Å; A222-F226 HydrophobicContact CB-CD2 4.05Å; A222-F226 HydrophobicContact CB-CE2 4.39Å; A222-F226 VanDerWaalsContact O-CB 3.27Å; A222-F226 WeakPolarHBondContact O-CB 3.3Å; A222-F226 VanDerWaalsContact O-CD2 3.29Å; A222-F226 WeakPolarHBondContact O-CD2 3.46Å; A222-F226 PolarHBondContact O-N 3.49Å; F226-P230 WeakPolarHBondContact O-CG 3.49Å |
| 227 | A | 92.1 | Very high | 92.6 | Very high | 12 Ų | 12 | 25.7 Ų | 25.7 | 10% | 0.099 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -113.9 | -50.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P175 L180 L223 C231 | P175-A227 HydrophobicContact CG-CB 4.18Å; L180-A227 HydrophobicContact CD1-CB 3.76Å; L223-A227 HydrophobicContact CD2-CB 4.42Å; L223-A227 WeakPolarHBondContact O-CA 3.49Å; L223-A227 VanDerWaalsContact O-CB 3.27Å; L223-A227 WeakPolarHBondContact O-CB 3.36Å; L223-A227 PolarHBondContact O-N 3.25Å; A227-C231 PolarHBondContact O-SG 2.91Å |
| 228 | L | 92.6 | Very high | 92.4 | Very high | 94 Ų | 94 | 31 Ų | 31 | 49% | 0.492 | 15% | 0.153 | S | C | . | . | I | π-helix | trans | -80.4 | -43.4 | -176.3 | -78.5 | 78.4 | 0 | 0 | 0 | 112.2 | L223 L224 C231 L232 | L223-L228 HydrophobicContact CB-CD1 4.49Å; L223-L228 VanDerWaalsContact O-CD1 3.3Å; L223-L228 WeakPolarHBondContact O-CD1 3.5Å; L223-L228 PolarHBondContact O-N 3.05Å; L224-L228 HydrophobicContact CD1-CD2 4.48Å; L228-C231 WeakPolarHBondContact O-CB 3.3Å; L228-C231 PolarHBondContact O-N 3.01Å; L228-L232 PolarHBondContact O-N 3.32Å; L228-L232 VanDerWaalsContact O-N 3.1Å |
| 229 | W | 93.9 | Very high | 92.2 | Very high | 68 Ų | 68 | 34.5 Ų | 34.5 | 26% | 0.258 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.4 | -46 | -178.2 | 173.3 | -94.6 | 0 | 0 | 0 | 113.6 | Q63 L224 V225 C231 L232 L233 V247 V251 | Q63-W229 VanDerWaalsContact NE2-CE2 3.28Å; Q63-W229 VanDerWaalsContact NE2-CZ2 3.27Å; L224-W229 VanDerWaalsContact O-CB 3.28Å; L224-W229 WeakPolarHBondContact O-CB 3.42Å; L224-W229 PolarHBondContact O-N 3.12Å; V225-W229 WeakPolarHBondContact O-CB 3.35Å; W229-C231 VanDerWaalsContact C-N 3.29Å; W229-C231 PolarHBondContact O-N 3.45Å; W229-L232 HydrophobicContact CE3-CD2 4.42Å; W229-L232 HydrophobicContact CZ3-CD2 4.4Å; W229-L232 PolarHBondContact O-N 3.28Å; W229-L233 HydrophobicContact CZ2-CD1 4.22Å; W229-L233 WeakPolarHBondContact O-CB 3.3Å; W229-L233 PolarHBondContact O-N 2.59Å; W229-V247 HydrophobicContact CH2-CG1 3.63Å; W229-V247 HydrophobicContact CZ2-CG1 3.62Å; W229-V251 HydrophobicContact CH2-CG2 4.12Å; W229-V251 HydrophobicContact CZ2-CG2 3.82Å |
| 230 | P | 92.2 | Very high | 92 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -33.6 | 177.9 | -20.5 | 32.8 | 0 | 0 | 0 | 113.5 | F167 P172 F226 L233 Q234 | F167-P230 HydrophobicContact CE2-CB 4.2Å; F167-P230 HydrophobicContact CE2-CG 4.06Å; F167-P230 HydrophobicContact CZ-CB 3.72Å; F167-P230 HydrophobicContact CZ-CG 4.04Å; P172-P230 HydrophobicContact CB-CB 4.19Å; F226-P230 WeakPolarHBondContact O-CG 3.49Å; P230-L233 PolarHBondContact O-N 2.64Å; P230-Q234 WeakPolarHBondContact O-CB 3.38Å; P230-Q234 PolarHBondContact O-N 3.39Å |
| 231 | C | 90.6 | Very high | 91.7 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 174.7 | -64.6 | 0 | 0 | 0 | 0 | 112 | A227 L228 W229 R235 | A227-C231 PolarHBondContact O-SG 2.91Å; L228-C231 WeakPolarHBondContact O-CB 3.3Å; L228-C231 PolarHBondContact O-N 3.01Å; W229-C231 VanDerWaalsContact C-N 3.29Å; W229-C231 PolarHBondContact O-N 3.45Å; C231-R235 PolarHBondContact O-N 3.34Å |
| 232 | L | 91.4 | Very high | 91.3 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -44.5 | 175.2 | 176.5 | 63.7 | 0 | 0 | 0 | 111.3 | L102 Y103 L106 L228 W229 Q234 R235 L236 | L102-L232 HydrophobicContact CB-CD1 4.27Å; L102-L232 HydrophobicContact CD2-CD1 4.2Å; L102-L232 HydrophobicContact CD2-CD2 4.38Å; L102-L232 HydrophobicContact CG-CD1 4.09Å; Y103-L232 HydrophobicContact CD2-CD1 4.34Å; L106-L232 HydrophobicContact CD1-CD1 4.31Å; L228-L232 PolarHBondContact O-N 3.32Å; L228-L232 VanDerWaalsContact O-N 3.1Å; W229-L232 HydrophobicContact CE3-CD2 4.42Å; W229-L232 HydrophobicContact CZ3-CD2 4.4Å; W229-L232 PolarHBondContact O-N 3.28Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 2.91Å; L232-R235 PolarHBondContact O-N 2.91Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 PolarHBondContact O-N 2.78Å |
| 233 | L | 90.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -37.5 | -178.1 | -169.7 | 72.6 | 0 | 0 | 0 | 112.2 | L60 Q63 W229 P230 L236 R237 F244 V247 | L60-L233 HydrophobicContact CD2-CD2 3.8Å; Q63-L233 HydrophobicContact CB-CD2 4.3Å; Q63-L233 HydrophobicContact CG-CD2 3.64Å; W229-L233 HydrophobicContact CZ2-CD1 4.22Å; W229-L233 WeakPolarHBondContact O-CB 3.3Å; W229-L233 PolarHBondContact O-N 2.59Å; P230-L233 PolarHBondContact O-N 2.64Å; L233-L236 HydrophobicContact CD1-CD2 4.49Å; L233-L236 PolarHBondContact O-N 3.22Å; L233-R237 WeakPolarHBondContact O-CB 3.48Å; L233-R237 PolarHBondContact O-N 3.16Å; L233-F244 HydrophobicContact CD1-CD2 3.56Å; L233-F244 HydrophobicContact CD1-CE2 3.75Å; L233-F244 HydrophobicContact CD2-CD2 4.4Å; L233-F244 HydrophobicContact CD2-CE2 3.74Å; L233-F244 HydrophobicContact CG-CD2 3.73Å; L233-F244 HydrophobicContact CG-CE2 3.55Å; L233-V247 HydrophobicContact CD1-CG1 4.01Å |
| 234 | Q | 89.9 | Confident | 91 | Very high | 18 Ų | 18 | 47 Ų | 47 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -50.1 | 174.5 | -175 | 51.7 | 35.5 | 0 | 0 | 111.7 | P172 P230 L232 L236 R237 D238 | P172-Q234 HydrophobicContact CG-CB 3.79Å; P172-Q234 HydrophobicContact CG-CG 3.94Å; P230-Q234 WeakPolarHBondContact O-CB 3.38Å; P230-Q234 PolarHBondContact O-N 3.39Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 2.91Å; Q234-L236 VanDerWaalsContact C-N 3.29Å; Q234-L236 PolarHBondContact O-N 3.1Å; Q234-R237 WeakPolarHBondContact O-CB 3.43Å; Q234-R237 PolarHBondContact O-N 2.79Å; Q234-R237 VanDerWaalsContact O-N 3.16Å; Q234-D238 PolarHBondContact NE2-OD1 3.47Å; Q234-D238 PolarHBondContact NE2-OD2 3.22Å; Q234-D238 VanDerWaalsContact O-CG 3.26Å; Q234-D238 PolarHBondContact O-N 3.2Å |
| 235 | R | 89 | Confident | 90.8 | Very high | 71 Ų | 71 | 46.9 Ų | 46.9 | 27% | 0.268 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.2 | -78.1 | -156.6 | -178 | -174.2 | -2.6 | 112.1 | Y103 C231 L232 R237 D238 C239 | Y103-R235 HydrophobicContact CD2-CG 4.17Å; Y103-R235 VanDerWaalsContact CE1-NH2 3.35Å; Y103-R235 HydrophobicContact CE2-CG 3.76Å; Y103-R235 VanDerWaalsContact CZ-NH2 3.28Å; Y103-R235 PolarHBondContact O-NH1 3Å; Y103-R235 VanDerWaalsContact OH-CZ 3.27Å; Y103-R235 PolarHBondContact OH-NE 3.27Å; Y103-R235 PolarHBondContact OH-NH2 2.81Å; C231-R235 PolarHBondContact O-N 3.34Å; L232-R235 PolarHBondContact O-N 2.91Å; R235-R237 VanDerWaalsContact C-N 3.29Å; R235-R237 PolarHBondContact O-N 3.22Å; R235-D238 PolarHBondContact O-N 3.2Å; R235-C239 PolarHBondContact O-N 3.25Å; R235-C239 PolarHBondContact O-SG 3.49Å; R235-C239 VanDerWaalsContact O-SG 3.38Å |
| 236 | L | 90.9 | Very high | 90.7 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 177.8 | -175.8 | 67.6 | 0 | 0 | 0 | 111.5 | L106 L232 L233 Q234 A240 V243 V247 | L106-L236 HydrophobicContact CD1-CB 4.41Å; L106-L236 HydrophobicContact CD1-CD1 4.16Å; L106-L236 HydrophobicContact CD2-CD1 4.35Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 PolarHBondContact O-N 2.78Å; L233-L236 HydrophobicContact CD1-CD2 4.49Å; L233-L236 PolarHBondContact O-N 3.22Å; Q234-L236 VanDerWaalsContact C-N 3.29Å; Q234-L236 PolarHBondContact O-N 3.1Å; L236-A240 HydrophobicContact CD1-CB 4.47Å; L236-A240 CarbonylContact O-C 3.32Å; L236-A240 VanDerWaalsContact O-C 3.32Å; L236-A240 WeakPolarHBondContact O-CA 3.46Å; L236-A240 PolarHBondContact O-N 2.82Å; L236-V243 HydrophobicContact CD1-CB 4.26Å; L236-V243 HydrophobicContact CD1-CG1 3.94Å; L236-V243 HydrophobicContact CD2-CG1 4.23Å; L236-V243 HydrophobicContact CG-CG1 4.45Å; L236-V247 HydrophobicContact CD2-CB 4.19Å; L236-V247 HydrophobicContact CD2-CG1 4.48Å; L236-V247 HydrophobicContact CD2-CG2 3.76Å |
| 237 | R | 89.4 | Confident | 90.7 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 18% | 0.177 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 176.2 | -179 | 179.9 | 170.4 | -152.9 | -5.5 | 111.9 | E57 L233 Q234 R235 F244 | E57-R237 IonicContact OE1-CZ 3.94Å; E57-R237 IonicContact OE1-NE 3.4Å; E57-R237 IonicContact OE1-NH2 3.99Å; E57-R237 PolarHBondContact OE1-NH2 2.83Å; E57-R237 IonicContact OE2-CZ 3.81Å; E57-R237 IonicContact OE2-NH1 2.64Å; E57-R237 IonicContact OE2-NH2 3.6Å; E57-R237 PolarHBondContact OE2-NH2 3.4Å; L233-R237 WeakPolarHBondContact O-CB 3.48Å; L233-R237 PolarHBondContact O-N 3.16Å; Q234-R237 WeakPolarHBondContact O-CB 3.43Å; Q234-R237 PolarHBondContact O-N 2.79Å; Q234-R237 VanDerWaalsContact O-N 3.16Å; R235-R237 VanDerWaalsContact C-N 3.29Å; R235-R237 PolarHBondContact O-N 3.22Å; R237-F244 HydrophobicContact CB-CB 4.27Å; R237-F244 HydrophobicContact CB-CD2 3.75Å; R237-F244 HydrophobicContact CB-CE2 4.27Å; R237-F244 HydrophobicContact CB-CG 3.94Å; R237-F244 HydrophobicContact CG-CD1 4.33Å; R237-F244 HydrophobicContact CG-CD2 4.25Å; R237-F244 HydrophobicContact CG-CG 4.16Å |
| 238 | D | 88.7 | Confident | 90.8 | Very high | 110 Ų | 110 | 51.5 Ų | 51.5 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.6 | -36.4 | -178.6 | -64.2 | -27.1 | 0 | 0 | 0 | 112 | Q234 R235 | Q234-D238 PolarHBondContact NE2-OD1 3.47Å; Q234-D238 PolarHBondContact NE2-OD2 3.22Å; Q234-D238 VanDerWaalsContact O-CG 3.26Å; Q234-D238 PolarHBondContact O-N 3.2Å; R235-D238 PolarHBondContact O-N 3.2Å |
| 239 | C | 88.9 | Confident | 90.8 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 51% | 0.514 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -86.4 | -37.9 | 179.7 | -62.8 | 0 | 0 | 0 | 0 | 114 | L106 R235 | L106-C239 HydrophobicContact CD2-CB 3.84Å; R235-C239 PolarHBondContact O-N 3.25Å; R235-C239 PolarHBondContact O-SG 3.49Å; R235-C239 VanDerWaalsContact O-SG 3.38Å |
| 240 | A | 89.6 | Confident | 90.9 | Very high | 27 Ų | 27 | 53.7 Ų | 53.7 | 22% | 0.223 | 30% | 0.295 | C | S | . | . | trans | -147.9 | 79 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112 | L236 W242 V243 F244 | L236-A240 HydrophobicContact CD1-CB 4.47Å; L236-A240 CarbonylContact O-C 3.32Å; L236-A240 VanDerWaalsContact O-C 3.32Å; L236-A240 WeakPolarHBondContact O-CA 3.46Å; L236-A240 PolarHBondContact O-N 2.82Å; A240-W242 VanDerWaalsContact C-N 3.27Å; A240-W242 PolarHBondContact O-N 2.85Å; A240-V243 HydrophobicContact CB-CB 3.97Å; A240-V243 HydrophobicContact CB-CG2 3.89Å; A240-V243 PolarHBondContact O-N 2.9Å; A240-F244 PolarHBondContact O-N 3.35Å | ||
| 241 | P | 86.9 | Confident | 91.1 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 41% | 0.409 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.9 | -30.1 | -174.3 | 24.3 | -34.9 | 0 | 0 | 0 | 113.7 | F244 G245 | P241-F244 WeakPolarHBondContact O-CB 3.49Å; P241-G245 PolarHBondContact O-N 3.38Å; P241-G245 VanDerWaalsContact O-N 3.12Å |
| 242 | W | 87.4 | Confident | 91.4 | Very high | 208 Ų | 208 | 53.7 Ų | 53.7 | 79% | 0.788 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.9 | -43.9 | 174.2 | -78.4 | 98.4 | 0 | 0 | 0 | 112.4 | A240 F244 G245 C246 | A240-W242 VanDerWaalsContact C-N 3.27Å; A240-W242 PolarHBondContact O-N 2.85Å; W242-F244 VanDerWaalsContact C-N 3.32Å; W242-G245 PolarHBondContact O-N 3.5Å; W242-C246 PolarHBondContact O-N 3.2Å; W242-C246 VanDerWaalsContact O-N 3.16Å; W242-C246 PolarHBondContact O-SG 3.34Å |
| 243 | V | 90.9 | Very high | 91.7 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 178.4 | -177 | 0 | 0 | 0 | 0 | 109.9 | L236 A240 G245 C246 V247 | L236-V243 HydrophobicContact CD1-CB 4.26Å; L236-V243 HydrophobicContact CD1-CG1 3.94Å; L236-V243 HydrophobicContact CD2-CG1 4.23Å; L236-V243 HydrophobicContact CG-CG1 4.45Å; A240-V243 HydrophobicContact CB-CB 3.97Å; A240-V243 HydrophobicContact CB-CG2 3.89Å; A240-V243 PolarHBondContact O-N 2.9Å; V243-G245 VanDerWaalsContact C-N 3.34Å; V243-G245 PolarHBondContact O-N 2.73Å; V243-C246 WeakPolarHBondContact O-CB 3.41Å; V243-C246 PolarHBondContact O-N 2.81Å; V243-V247 HydrophobicContact CG1-CG2 4.3Å; V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 3.23Å |
| 244 | F | 91.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -53 | -49.7 | 171.5 | 165.4 | -94.8 | 0 | 0 | 0 | 112 | L60 L233 R237 A240 P241 W242 C246 V247 C248 | L60-F244 HydrophobicContact CD2-CE2 3.51Å; L60-F244 HydrophobicContact CD2-CZ 3.52Å; L60-F244 HydrophobicContact CG-CE2 4.26Å; L60-F244 HydrophobicContact CG-CZ 3.76Å; L233-F244 HydrophobicContact CD1-CD2 3.56Å; L233-F244 HydrophobicContact CD1-CE2 3.75Å; L233-F244 HydrophobicContact CD2-CD2 4.4Å; L233-F244 HydrophobicContact CD2-CE2 3.74Å; L233-F244 HydrophobicContact CG-CD2 3.73Å; L233-F244 HydrophobicContact CG-CE2 3.55Å; R237-F244 HydrophobicContact CB-CB 4.27Å; R237-F244 HydrophobicContact CB-CD2 3.75Å; R237-F244 HydrophobicContact CB-CE2 4.27Å; R237-F244 HydrophobicContact CB-CG 3.94Å; R237-F244 HydrophobicContact CG-CD1 4.33Å; R237-F244 HydrophobicContact CG-CD2 4.25Å; R237-F244 HydrophobicContact CG-CG 4.16Å; A240-F244 PolarHBondContact O-N 3.35Å; P241-F244 WeakPolarHBondContact O-CB 3.49Å; W242-F244 VanDerWaalsContact C-N 3.32Å; F244-C246 VanDerWaalsContact C-N 3.35Å; F244-C246 PolarHBondContact O-N 2.86Å; F244-V247 PolarHBondContact O-N 3.3Å; F244-C248 VanDerWaalsContact CE2-SG 3.56Å; F244-C248 WeakPolarHBondContact CZ-SG 3.35Å; F244-C248 PolarHBondContact O-N 2.98Å; F244-C248 PolarHBondContact O-SG 3.16Å |
| 245 | G | 91.1 | Very high | 92.2 | Very high | 25 Ų | 25 | 59 Ų | 59 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P241 W242 V243 C248 V249 | P241-G245 PolarHBondContact O-N 3.38Å; P241-G245 VanDerWaalsContact O-N 3.12Å; W242-G245 PolarHBondContact O-N 3.5Å; V243-G245 VanDerWaalsContact C-N 3.34Å; V243-G245 PolarHBondContact O-N 2.73Å; G245-C248 PolarHBondContact O-N 2.86Å; G245-V249 WeakPolarHBondContact O-CG2 3.27Å; G245-V249 PolarHBondContact O-N 3.07Å |
| 246 | C | 93.2 | Very high | 92.6 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 58% | 0.581 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.2 | -42.4 | 175.7 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | W242 V243 F244 C248 V249 L250 | W242-C246 PolarHBondContact O-N 3.2Å; W242-C246 VanDerWaalsContact O-N 3.16Å; W242-C246 PolarHBondContact O-SG 3.34Å; V243-C246 WeakPolarHBondContact O-CB 3.41Å; V243-C246 PolarHBondContact O-N 2.81Å; F244-C246 VanDerWaalsContact C-N 3.35Å; F244-C246 PolarHBondContact O-N 2.86Å; C246-C248 VanDerWaalsContact C-N 3.35Å; C246-V249 PolarHBondContact O-N 3.4Å; C246-L250 WeakPolarHBondContact O-CB 3.28Å; C246-L250 PolarHBondContact O-N 3.37Å |
| 247 | V | 93.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 176.9 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | W229 L233 L236 V243 F244 L250 V251 | W229-V247 HydrophobicContact CH2-CG1 3.63Å; W229-V247 HydrophobicContact CZ2-CG1 3.62Å; L233-V247 HydrophobicContact CD1-CG1 4.01Å; L236-V247 HydrophobicContact CD2-CB 4.19Å; L236-V247 HydrophobicContact CD2-CG1 4.48Å; L236-V247 HydrophobicContact CD2-CG2 3.76Å; V243-V247 HydrophobicContact CG1-CG2 4.3Å; V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 3.23Å; F244-V247 PolarHBondContact O-N 3.3Å; V247-L250 PolarHBondContact O-N 3.31Å; V247-V251 HydrophobicContact CG1-CG2 4.36Å; V247-V251 WeakPolarHBondContact O-CG2 3.23Å; V247-V251 PolarHBondContact O-N 2.95Å |
| 248 | C | 93.6 | Very high | 93 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 10% | 0.095 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 176.7 | -73.4 | 0 | 0 | 0 | 0 | 113 | Q63 F244 G245 C246 G252 | Q63-C248 VanDerWaalsContact OE1-CA 3.27Å; F244-C248 VanDerWaalsContact CE2-SG 3.56Å; F244-C248 WeakPolarHBondContact CZ-SG 3.35Å; F244-C248 PolarHBondContact O-N 2.98Å; F244-C248 PolarHBondContact O-SG 3.16Å; G245-C248 PolarHBondContact O-N 2.86Å; C246-C248 VanDerWaalsContact C-N 3.35Å; C248-G252 PolarHBondContact O-N 3.44Å |
| 249 | V | 94.4 | Very high | 93.3 | Very high | 100 Ų | 100 | 53.6 Ų | 53.6 | 61% | 0.606 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.5 | -44.7 | 175 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | G245 C246 V251 G252 V253 | G245-V249 WeakPolarHBondContact O-CG2 3.27Å; G245-V249 PolarHBondContact O-N 3.07Å; C246-V249 PolarHBondContact O-N 3.4Å; V249-V251 PolarHBondContact O-N 2.86Å; V249-G252 PolarHBondContact O-N 3.44Å; V249-V253 HydrophobicContact CG1-CG2 4.3Å; V249-V253 VanDerWaalsContact O-CG2 3.31Å; V249-V253 WeakPolarHBondContact O-CG2 3.48Å; V249-V253 PolarHBondContact O-N 3.34Å |
| 250 | L | 96.2 | Very high | 93.6 | Very high | 108 Ų | 108 | 51.1 Ų | 51.1 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.3 | -49.1 | 179.1 | 179.2 | 65.4 | 0 | 0 | 0 | 111.6 | C246 V247 G252 V253 C254 | C246-L250 WeakPolarHBondContact O-CB 3.28Å; C246-L250 PolarHBondContact O-N 3.37Å; V247-L250 PolarHBondContact O-N 3.31Å; L250-G252 VanDerWaalsContact C-N 3.32Å; L250-G252 PolarHBondContact O-N 2.94Å; L250-V253 PolarHBondContact O-N 2.88Å; L250-C254 WeakPolarHBondContact O-CB 3.26Å; L250-C254 PolarHBondContact O-N 3.35Å; L250-C254 PolarHBondContact O-SG 3.32Å |
| 251 | V | 95.9 | Very high | 93.8 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 11% | 0.109 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.8 | -36.7 | 179.9 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | L70 W229 V247 V249 C254 G255 | L70-V251 HydrophobicContact CD1-CG1 3.65Å; W229-V251 HydrophobicContact CH2-CG2 4.12Å; W229-V251 HydrophobicContact CZ2-CG2 3.82Å; V247-V251 HydrophobicContact CG1-CG2 4.36Å; V247-V251 WeakPolarHBondContact O-CG2 3.23Å; V247-V251 PolarHBondContact O-N 2.95Å; V249-V251 PolarHBondContact O-N 2.86Å; V251-C254 PolarHBondContact O-N 2.96Å; V251-G255 PolarHBondContact O-N 3.03Å |
| 252 | G | 96.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | S66 C248 V249 L250 G255 V256 | S66-G252 WeakPolarHBondContact OG-CA 3.4Å; C248-G252 PolarHBondContact O-N 3.44Å; V249-G252 PolarHBondContact O-N 3.44Å; L250-G252 VanDerWaalsContact C-N 3.32Å; L250-G252 PolarHBondContact O-N 2.94Å; G252-G255 PolarHBondContact O-N 2.83Å; G252-V256 WeakPolarHBondContact O-CG2 3.39Å; G252-V256 PolarHBondContact O-N 2.98Å |
| 253 | V | 96.9 | Very high | 94.4 | Very high | 94 Ų | 94 | 49.8 Ų | 49.8 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 176.2 | 171.3 | 0 | 0 | 0 | 0 | 111 | V249 L250 G255 V256 G257 | V249-V253 HydrophobicContact CG1-CG2 4.3Å; V249-V253 VanDerWaalsContact O-CG2 3.31Å; V249-V253 WeakPolarHBondContact O-CG2 3.48Å; V249-V253 PolarHBondContact O-N 3.34Å; L250-V253 PolarHBondContact O-N 2.88Å; V253-G255 VanDerWaalsContact C-N 3.35Å; V253-G255 PolarHBondContact O-N 3.49Å; V253-V256 PolarHBondContact O-N 2.84Å; V253-G257 PolarHBondContact O-N 3.48Å |
| 254 | C | 96.6 | Very high | 94.6 | Very high | 61 Ų | 61 | 50.6 Ų | 50.6 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 175.2 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | L70 L250 V251 G257 G258 | L70-C254 HydrophobicContact CD1-CB 4.49Å; L70-C254 HydrophobicContact CD2-CB 4.17Å; L250-C254 WeakPolarHBondContact O-CB 3.26Å; L250-C254 PolarHBondContact O-N 3.35Å; L250-C254 PolarHBondContact O-SG 3.32Å; V251-C254 PolarHBondContact O-N 2.96Å; C254-G257 PolarHBondContact O-N 3.49Å; C254-G258 PolarHBondContact O-N 3.48Å |
| 255 | G | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | V251 G252 V253 L259 | V251-G255 PolarHBondContact O-N 3.03Å; G252-G255 PolarHBondContact O-N 2.83Å; V253-G255 VanDerWaalsContact C-N 3.35Å; V253-G255 PolarHBondContact O-N 3.49Å; G255-L259 WeakPolarHBondContact O-CB 3.36Å; G255-L259 PolarHBondContact O-N 3.35Å |
| 256 | V | 97.1 | Very high | 94.8 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 21% | 0.212 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 175.4 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | G252 V253 L259 G260 A267 L270 A271 L274 | G252-V256 WeakPolarHBondContact O-CG2 3.39Å; G252-V256 PolarHBondContact O-N 2.98Å; V253-V256 PolarHBondContact O-N 2.84Å; V256-L259 PolarHBondContact O-N 3.24Å; V256-G260 PolarHBondContact O-N 2.85Å; V256-A267 HydrophobicContact CG1-CB 4.08Å; V256-A267 WeakPolarHBondContact O-CB 3.22Å; V256-L270 HydrophobicContact CG2-CD2 4.09Å; V256-L270 HydrophobicContact CG2-CG 4.07Å; V256-A271 HydrophobicContact CG1-CB 4.13Å; V256-A271 HydrophobicContact CG2-CB 4.11Å; V256-L274 HydrophobicContact CG2-CD1 3.91Å |
| 257 | G | 96.1 | Very high | 94.9 | Very high | 44 Ų | 44 | 47.3 Ų | 47.3 | 45% | 0.454 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V253 C254 G260 S261 | V253-G257 PolarHBondContact O-N 3.48Å; C254-G257 PolarHBondContact O-N 3.49Å; G257-G260 PolarHBondContact O-N 2.86Å; G257-S261 PolarHBondContact O-N 3.41Å; G257-S261 PolarHBondContact O-OG 3.18Å |
| 258 | G | 93.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -34.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | T73 C254 S261 | T73-G258 WeakPolarHBondContact CG2-O 3.39Å; C254-G258 PolarHBondContact O-N 3.48Å; G258-S261 PolarHBondContact O-OG 2.82Å |
| 259 | L | 94.8 | Very high | 95.2 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75.6 | -34.6 | 172.3 | -170.5 | 59.9 | 0 | 0 | 0 | 111.2 | T73 G255 V256 L262 W263 L270 | T73-L259 HydrophobicContact CG2-CB 4.06Å; T73-L259 HydrophobicContact CG2-CD1 4.35Å; G255-L259 WeakPolarHBondContact O-CB 3.36Å; G255-L259 PolarHBondContact O-N 3.35Å; V256-L259 PolarHBondContact O-N 3.24Å; L259-L262 PolarHBondContact O-N 3.07Å; L259-W263 CarbonylContact O-C 3.58Å; L259-W263 PolarHBondContact O-N 3.45Å; L259-L270 HydrophobicContact CB-CD2 4.45Å; L259-L270 HydrophobicContact CD2-CB 4.12Å; L259-L270 HydrophobicContact CD2-CD2 3.98Å |
| 260 | G | 95 | Very high | 95.3 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 26% | 0.258 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.7 | -27.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | V256 G257 L262 | V256-G260 PolarHBondContact O-N 2.85Å; G257-G260 PolarHBondContact O-N 2.86Å; G260-L262 PolarHBondContact O-N 2.85Å |
| 261 | S | 94.5 | Very high | 95.4 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -25.1 | 171.6 | 55.5 | 0 | 0 | 0 | 0 | 113 | Y77 G257 G258 | Y77-S261 VanDerWaalsContact OH-CB 3.31Å; Y77-S261 WeakPolarHBondContact OH-CB 3.28Å; Y77-S261 PolarHBondContact OH-OG 3.32Å; G257-S261 PolarHBondContact O-N 3.41Å; G257-S261 PolarHBondContact O-OG 3.18Å; G258-S261 PolarHBondContact O-OG 2.82Å |
| 262 | L | 92.5 | Very high | 95.4 | Very high | 45 Ų | 45 | 50.4 Ų | 50.4 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -48.3 | -180 | -63.8 | 164.5 | 0 | 0 | 0 | 111.3 | T73 L76 Y77 L259 G260 | T73-L262 HydrophobicContact CG2-CD1 4.39Å; L76-L262 HydrophobicContact CB-CD1 3.75Å; L76-L262 HydrophobicContact CD1-CD1 3.82Å; L76-L262 HydrophobicContact CG-CD1 4.44Å; Y77-L262 HydrophobicContact CD1-CD2 4.26Å; Y77-L262 HydrophobicContact CD2-CD1 4.41Å; Y77-L262 HydrophobicContact CE1-CD2 3.97Å; Y77-L262 HydrophobicContact CE1-CG 4.48Å; Y77-L262 HydrophobicContact CE2-CD1 4.22Å; Y77-L262 HydrophobicContact CE2-CG 4.49Å; L259-L262 PolarHBondContact O-N 3.07Å; G260-L262 PolarHBondContact O-N 2.85Å |
| 263 | W | 94.4 | Very high | 95.5 | Very high | 154 Ų | 154 | 53.7 Ų | 53.7 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | trans | -142.2 | 100.7 | -177.7 | -176.6 | 37.4 | 0 | 0 | 0 | 111.3 | L259 G265 G266 A267 L269 | L259-W263 CarbonylContact O-C 3.58Å; L259-W263 PolarHBondContact O-N 3.45Å; W263-G265 VanDerWaalsContact C-N 3.28Å; W263-G265 PolarHBondContact O-N 2.85Å; W263-G266 VanDerWaalsContact CD2-N 3.28Å; W263-G266 PolarHBondContact O-N 3.4Å; W263-A267 PolarHBondContact O-N 2.88Å; W263-A267 VanDerWaalsContact O-N 3.17Å; W263-L269 HydrophobicContact CH2-CD1 4.32Å | ||
| 264 | P | 93.2 | Very high | 95.4 | Very high | 90 Ų | 90 | 50 Ų | 50 | 58% | 0.584 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.5 | -32.6 | -175.7 | 23.4 | -33.5 | 0 | 0 | 0 | 112.9 | A267 V268 | P264-A267 PolarHBondContact O-N 3.39Å; P264-V268 WeakPolarHBondContact O-CG2 3.3Å; P264-V268 PolarHBondContact O-N 3.21Å; P264-V268 VanDerWaalsContact O-N 3.15Å |
| 265 | G | 95.1 | Very high | 95.4 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W263 A267 V268 L269 | W263-G265 VanDerWaalsContact C-N 3.28Å; W263-G265 PolarHBondContact O-N 2.85Å; G265-A267 VanDerWaalsContact C-N 3.34Å; G265-A267 PolarHBondContact O-N 2.85Å; G265-V268 PolarHBondContact O-N 3.22Å; G265-L269 WeakPolarHBondContact O-CG 3.49Å; G265-L269 PolarHBondContact O-N 2.92Å; G265-L269 VanDerWaalsContact O-N 3.08Å |
| 266 | G | 93.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 51 Ų | 51 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63 | -39.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W263 L269 L270 | W263-G266 VanDerWaalsContact CD2-N 3.28Å; W263-G266 PolarHBondContact O-N 3.4Å; G266-L269 PolarHBondContact O-N 3.21Å; G266-L270 WeakPolarHBondContact O-CB 3.25Å; G266-L270 PolarHBondContact O-N 3.41Å |
| 267 | A | 95.4 | Very high | 95.3 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V256 W263 P264 G265 L270 A271 | V256-A267 HydrophobicContact CG1-CB 4.08Å; V256-A267 WeakPolarHBondContact O-CB 3.22Å; W263-A267 PolarHBondContact O-N 2.88Å; W263-A267 VanDerWaalsContact O-N 3.17Å; P264-A267 PolarHBondContact O-N 3.39Å; G265-A267 VanDerWaalsContact C-N 3.34Å; G265-A267 PolarHBondContact O-N 2.85Å; A267-L270 PolarHBondContact O-N 3.21Å; A267-A271 VanDerWaalsContact O-CB 3.25Å; A267-A271 WeakPolarHBondContact O-CB 3.29Å; A267-A271 PolarHBondContact O-N 3.05Å |
| 268 | V | 96.8 | Very high | 95.2 | Very high | 103 Ų | 103 | 49.9 Ų | 49.9 | 62% | 0.624 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 175.4 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | P264 G265 A271 A272 | P264-V268 WeakPolarHBondContact O-CG2 3.3Å; P264-V268 PolarHBondContact O-N 3.21Å; P264-V268 VanDerWaalsContact O-N 3.15Å; G265-V268 PolarHBondContact O-N 3.22Å; V268-A271 PolarHBondContact O-N 3.01Å; V268-A272 VanDerWaalsContact O-CB 3.29Å; V268-A272 WeakPolarHBondContact O-CB 3.39Å; V268-A272 PolarHBondContact O-N 3.01Å |
| 269 | L | 96.6 | Very high | 95.3 | Very high | 114 Ų | 114 | 53 Ų | 53 | 60% | 0.597 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.4 | -43.3 | 176.7 | -68.7 | 173.4 | 0 | 0 | 0 | 112.1 | W263 G265 G266 A272 L273 | W263-L269 HydrophobicContact CH2-CD1 4.32Å; G265-L269 WeakPolarHBondContact O-CG 3.49Å; G265-L269 PolarHBondContact O-N 2.92Å; G265-L269 VanDerWaalsContact O-N 3.08Å; G266-L269 PolarHBondContact O-N 3.21Å; L269-A272 PolarHBondContact O-N 2.75Å; L269-L273 WeakPolarHBondContact O-CB 3.29Å; L269-L273 PolarHBondContact O-N 2.9Å |
| 270 | L | 96.6 | Very high | 95.2 | Very high | 17 Ų | 17 | 55.3 Ų | 55.3 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 177.3 | -179.3 | 62.2 | 0 | 0 | 0 | 111.3 | I65 A69 V256 L259 G266 A267 A272 L273 L274 | I65-L270 HydrophobicContact CG2-CD1 3.75Å; A69-L270 HydrophobicContact CB-CD1 4.35Å; A69-L270 HydrophobicContact CB-CD2 3.54Å; V256-L270 HydrophobicContact CG2-CD2 4.09Å; V256-L270 HydrophobicContact CG2-CG 4.07Å; L259-L270 HydrophobicContact CB-CD2 4.45Å; L259-L270 HydrophobicContact CD2-CB 4.12Å; L259-L270 HydrophobicContact CD2-CD2 3.98Å; G266-L270 WeakPolarHBondContact O-CB 3.25Å; G266-L270 PolarHBondContact O-N 3.41Å; A267-L270 PolarHBondContact O-N 3.21Å; L270-A272 VanDerWaalsContact C-N 3.32Å; L270-A272 PolarHBondContact O-N 3.46Å; L270-L273 PolarHBondContact O-N 3.03Å; L270-L274 HydrophobicContact CD1-CD1 4.35Å; L270-L274 HydrophobicContact CD1-CG 4.22Å; L270-L274 HydrophobicContact CG-CD1 4.16Å; L270-L274 HydrophobicContact CG-CG 4.42Å; L270-L274 WeakPolarHBondContact O-CB 3.06Å; L270-L274 VanDerWaalsContact O-CG 3.3Å; L270-L274 WeakPolarHBondContact O-CG 3.43Å; L270-L274 PolarHBondContact O-N 2.95Å |
| 271 | A | 96.9 | Very high | 95.1 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V256 A267 V268 L274 G275 | V256-A271 HydrophobicContact CG1-CB 4.13Å; V256-A271 HydrophobicContact CG2-CB 4.11Å; A267-A271 VanDerWaalsContact O-CB 3.25Å; A267-A271 WeakPolarHBondContact O-CB 3.29Å; A267-A271 PolarHBondContact O-N 3.05Å; V268-A271 PolarHBondContact O-N 3.01Å; A271-L274 PolarHBondContact O-N 3.34Å; A271-G275 PolarHBondContact O-N 2.9Å |
| 272 | A | 97.2 | Very high | 95.1 | Very high | 54 Ų | 54 | 54 Ų | 54 | 45% | 0.446 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V268 L269 L270 G275 T276 | V268-A272 VanDerWaalsContact O-CB 3.29Å; V268-A272 WeakPolarHBondContact O-CB 3.39Å; V268-A272 PolarHBondContact O-N 3.01Å; L269-A272 PolarHBondContact O-N 2.75Å; L270-A272 VanDerWaalsContact C-N 3.32Å; L270-A272 PolarHBondContact O-N 3.46Å; A272-G275 PolarHBondContact O-N 3.38Å; A272-T276 VanDerWaalsContact O-CG2 3.29Å; A272-T276 WeakPolarHBondContact O-CG2 3.21Å; A272-T276 PolarHBondContact O-N 3.38Å; A272-T276 PolarHBondContact O-OG1 3.46Å |
| 273 | L | 96.8 | Very high | 95 | Very high | 80 Ų | 80 | 54.8 Ų | 54.8 | 42% | 0.419 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 176.9 | 178.1 | 64.1 | 0 | 0 | 0 | 112.4 | I65 L269 L270 T276 V277 | I65-L273 HydrophobicContact CD1-CD2 4.47Å; I65-L273 HydrophobicContact CG2-CD2 4.07Å; L269-L273 WeakPolarHBondContact O-CB 3.29Å; L269-L273 PolarHBondContact O-N 2.9Å; L270-L273 PolarHBondContact O-N 3.03Å; L273-T276 WeakPolarHBondContact CA-OG1 3.42Å; L273-T276 PolarHBondContact O-N 3.47Å; L273-T276 PolarHBondContact O-OG1 3.03Å; L273-V277 HydrophobicContact CD1-CG2 4.13Å; L273-V277 WeakPolarHBondContact O-CB 3.19Å; L273-V277 VanDerWaalsContact O-CG2 3.31Å; L273-V277 WeakPolarHBondContact O-CG2 3.45Å; L273-V277 PolarHBondContact O-N 3.19Å |
| 274 | L | 96.6 | Very high | 94.9 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 177.2 | -67.7 | 176.3 | 0 | 0 | 0 | 110.8 | A62 I65 V256 L270 A271 V277 T278 | A62-L274 HydrophobicContact CB-CD2 3.92Å; A62-L274 WeakPolarHBondContact O-CD2 3.25Å; I65-L274 HydrophobicContact CB-CD2 3.98Å; I65-L274 HydrophobicContact CG2-CD2 3.84Å; V256-L274 HydrophobicContact CG2-CD1 3.91Å; L270-L274 HydrophobicContact CD1-CD1 4.35Å; L270-L274 HydrophobicContact CD1-CG 4.22Å; L270-L274 HydrophobicContact CG-CD1 4.16Å; L270-L274 HydrophobicContact CG-CG 4.42Å; L270-L274 WeakPolarHBondContact O-CB 3.06Å; L270-L274 VanDerWaalsContact O-CG 3.3Å; L270-L274 WeakPolarHBondContact O-CG 3.43Å; L270-L274 PolarHBondContact O-N 2.95Å; A271-L274 PolarHBondContact O-N 3.34Å; L274-V277 PolarHBondContact O-N 3.35Å; L274-T278 WeakPolarHBondContact O-CB 3.43Å; L274-T278 VanDerWaalsContact O-CG2 3.3Å; L274-T278 WeakPolarHBondContact O-CG2 3.47Å; L274-T278 PolarHBondContact O-N 3.16Å; L274-T278 PolarHBondContact O-OG1 2.73Å |
| 275 | G | 95.6 | Very high | 94.7 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A271 A272 L279 L280 | A271-G275 PolarHBondContact O-N 2.9Å; A272-G275 PolarHBondContact O-N 3.38Å; G275-L279 WeakPolarHBondContact O-CB 3.09Å; G275-L279 PolarHBondContact O-N 3.01Å; G275-L280 PolarHBondContact O-N 3.06Å |
| 276 | T | 95.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 51.7 Ų | 51.7 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -67 | -47 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | A272 L273 T278 L280 C281 | A272-T276 VanDerWaalsContact O-CG2 3.29Å; A272-T276 WeakPolarHBondContact O-CG2 3.21Å; A272-T276 PolarHBondContact O-N 3.38Å; A272-T276 PolarHBondContact O-OG1 3.46Å; L273-T276 WeakPolarHBondContact CA-OG1 3.42Å; L273-T276 PolarHBondContact O-N 3.47Å; L273-T276 PolarHBondContact O-OG1 3.03Å; T276-T278 PolarHBondContact O-N 2.9Å; T276-L280 HydrophobicContact CG2-CD2 3.97Å; T276-L280 CarbonylContact O-C 3.52Å; T276-L280 WeakPolarHBondContact O-CA 3.42Å; T276-L280 WeakPolarHBondContact O-CB 3.42Å; T276-L280 PolarHBondContact O-N 2.91Å; T276-L280 VanDerWaalsContact O-N 3.1Å; T276-C281 PolarHBondContact O-N 2.99Å; T276-C281 PolarHBondContact O-SG 3.47Å |
| 277 | V | 94.9 | Very high | 94.2 | Very high | 27 Ų | 27 | 59.2 Ų | 59.2 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -66 | -40 | 180 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | V61 I65 L273 L274 P282 | V61-V277 HydrophobicContact CB-CG1 3.91Å; V61-V277 HydrophobicContact CG1-CG1 3.71Å; I65-V277 HydrophobicContact CD1-CG2 4.32Å; L273-V277 HydrophobicContact CD1-CG2 4.13Å; L273-V277 WeakPolarHBondContact O-CB 3.19Å; L273-V277 VanDerWaalsContact O-CG2 3.31Å; L273-V277 WeakPolarHBondContact O-CG2 3.45Å; L273-V277 PolarHBondContact O-N 3.19Å; L274-V277 PolarHBondContact O-N 3.35Å; V277-P282 WeakPolarHBondContact O-CD 3.46Å |
| 278 | T | 93.9 | Very high | 93.9 | Very high | 28 Ų | 28 | 64.2 Ų | 64.2 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | I | π-helix | trans | -84.4 | -30.5 | -175.2 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | A62 L274 T276 P282 | A62-T278 HydrophobicContact CB-CG2 3.27Å; L274-T278 WeakPolarHBondContact O-CB 3.43Å; L274-T278 VanDerWaalsContact O-CG2 3.3Å; L274-T278 WeakPolarHBondContact O-CG2 3.47Å; L274-T278 PolarHBondContact O-N 3.16Å; L274-T278 PolarHBondContact O-OG1 2.73Å; T276-T278 PolarHBondContact O-N 2.9Å; T278-P282 WeakPolarHBondContact O-CG 3.32Å |
| 279 | L | 94.5 | Very high | 93.3 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 42% | 0.424 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -118.9 | -49.4 | -173.3 | -56.5 | 175.4 | 0 | 0 | 0 | 112 | V55 G275 L283 | V55-L279 HydrophobicContact CG1-CD2 4.11Å; V55-L279 HydrophobicContact CG2-CD2 4.42Å; G275-L279 WeakPolarHBondContact O-CB 3.09Å; G275-L279 PolarHBondContact O-N 3.01Å; L279-L283 WeakPolarHBondContact O-CB 3.33Å; L279-L283 PolarHBondContact O-N 2.8Å; L279-L283 VanDerWaalsContact O-N 3.15Å |
| 280 | L | 93.8 | Very high | 92.5 | Very high | 82 Ų | 82 | 60.2 Ų | 60.2 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -70.4 | -44.8 | -175.7 | -171.3 | 65.4 | 0 | 0 | 0 | 111.7 | G275 T276 L283 L284 | G275-L280 PolarHBondContact O-N 3.06Å; T276-L280 HydrophobicContact CG2-CD2 3.97Å; T276-L280 CarbonylContact O-C 3.52Å; T276-L280 WeakPolarHBondContact O-CA 3.42Å; T276-L280 WeakPolarHBondContact O-CB 3.42Å; T276-L280 PolarHBondContact O-N 2.91Å; T276-L280 VanDerWaalsContact O-N 3.1Å; L280-L283 WeakPolarHBondContact O-CB 3.43Å; L280-L283 PolarHBondContact O-N 2.99Å; L280-L284 HydrophobicContact CD1-CG 4.49Å; L280-L284 HydrophobicContact CG-CD1 4.01Å; L280-L284 HydrophobicContact CG-CG 4.33Å; L280-L284 WeakPolarHBondContact O-CB 3.13Å; L280-L284 VanDerWaalsContact O-CG 3.28Å; L280-L284 WeakPolarHBondContact O-CG 3.17Å; L280-L284 PolarHBondContact O-N 2.77Å |
| 281 | C | 93.3 | Very high | 91.8 | Very high | 64 Ų | 64 | 65.3 Ų | 65.3 | 43% | 0.432 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 179.5 | -71.6 | 0 | 0 | 0 | 0 | 112.2 | T276 L283 L284 L285 | T276-C281 PolarHBondContact O-N 2.99Å; T276-C281 PolarHBondContact O-SG 3.47Å; C281-L283 VanDerWaalsContact C-N 3.31Å; C281-L283 PolarHBondContact O-N 2.8Å; C281-L284 PolarHBondContact O-N 3.3Å; C281-L285 WeakPolarHBondContact O-CB 3.42Å; C281-L285 PolarHBondContact O-N 2.82Å |
| 282 | P | 93.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 68.9 Ų | 68.9 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 171.9 | -31.3 | 40.3 | 0 | 0 | 0 | 113.8 | Y51 V54 V55 A58 V277 T278 L285 I286 | Y51-P282 HydrophobicContact CD2-CB 4.37Å; Y51-P282 HydrophobicContact CE2-CB 4.12Å; V54-P282 HydrophobicContact CB-CB 4.08Å; V54-P282 HydrophobicContact CG1-CB 3.7Å; V54-P282 HydrophobicContact CG1-CG 3.97Å; V55-P282 HydrophobicContact CG2-CB 4.08Å; V55-P282 HydrophobicContact CG2-CG 4.24Å; A58-P282 HydrophobicContact CB-CG 3.94Å; V277-P282 WeakPolarHBondContact O-CD 3.46Å; T278-P282 WeakPolarHBondContact O-CG 3.32Å; P282-L285 PolarHBondContact O-N 3.44Å; P282-I286 WeakPolarHBondContact O-CG1 3.46Å; P282-I286 PolarHBondContact O-N 3.4Å |
| 283 | L | 92.1 | Very high | 90.5 | Very high | 62 Ų | 62 | 71.1 Ų | 71.1 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.1 | -177 | 69.7 | 0 | 0 | 0 | 111.4 | Y51 L279 L280 C281 I286 R287 | Y51-L283 HydrophobicContact CE2-CB 4.11Å; Y51-L283 HydrophobicContact CE2-CD1 4.5Å; L279-L283 WeakPolarHBondContact O-CB 3.33Å; L279-L283 PolarHBondContact O-N 2.8Å; L279-L283 VanDerWaalsContact O-N 3.15Å; L280-L283 WeakPolarHBondContact O-CB 3.43Å; L280-L283 PolarHBondContact O-N 2.99Å; C281-L283 VanDerWaalsContact C-N 3.31Å; C281-L283 PolarHBondContact O-N 2.8Å; L283-I286 PolarHBondContact O-N 3.45Å; L283-R287 WeakPolarHBondContact O-CG 3.49Å; L283-R287 PolarHBondContact O-N 3.35Å |
| 284 | L | 90.9 | Very high | 89.8 | Confident | 80 Ų | 80 | 70.5 Ų | 70.5 | 42% | 0.419 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 176.6 | -71 | 172.6 | 0 | 0 | 0 | 111.2 | L280 C281 I286 R287 L288 | L280-L284 HydrophobicContact CD1-CG 4.49Å; L280-L284 HydrophobicContact CG-CD1 4.01Å; L280-L284 HydrophobicContact CG-CG 4.33Å; L280-L284 WeakPolarHBondContact O-CB 3.13Å; L280-L284 VanDerWaalsContact O-CG 3.28Å; L280-L284 WeakPolarHBondContact O-CG 3.17Å; L280-L284 PolarHBondContact O-N 2.77Å; C281-L284 PolarHBondContact O-N 3.3Å; L284-I286 VanDerWaalsContact C-N 3.34Å; L284-I286 PolarHBondContact O-N 3.16Å; L284-R287 PolarHBondContact O-N 3.43Å; L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 VanDerWaalsContact O-CG 3.3Å; L284-L288 WeakPolarHBondContact O-CG 3.35Å; L284-L288 PolarHBondContact O-N 3.4Å |
| 285 | L | 89.9 | Confident | 89.2 | Confident | 82 Ų | 82 | 73 Ų | 73 | 43% | 0.429 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 177.3 | -173.5 | 154.2 | 0 | 0 | 0 | 111.4 | Y49 C281 P282 L288 Q289 | Y49-L285 HydrophobicContact CD2-CD2 3.94Å; Y49-L285 HydrophobicContact CE2-CD2 4.33Å; Y49-L285 HydrophobicContact CG-CD2 4.48Å; C281-L285 WeakPolarHBondContact O-CB 3.42Å; C281-L285 PolarHBondContact O-N 2.82Å; P282-L285 PolarHBondContact O-N 3.44Å; L285-L288 PolarHBondContact O-N 2.78Å; L285-Q289 PolarHBondContact O-N 3.25Å |
| 286 | I | 89.1 | Confident | 88.7 | Confident | 49 Ų | 49 | 74 Ų | 74 | 25% | 0.251 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.9 | -36.1 | 178.5 | -67 | 170.6 | 0 | 0 | 0 | 111.6 | Y51 P282 L283 L284 Q289 | Y51-I286 VanDerWaalsContact CA-CD1 3.44Å; Y51-I286 HydrophobicContact CD2-CD1 3.77Å; Y51-I286 HydrophobicContact CG-CD1 4.21Å; P282-I286 WeakPolarHBondContact O-CG1 3.46Å; P282-I286 PolarHBondContact O-N 3.4Å; L283-I286 PolarHBondContact O-N 3.45Å; L284-I286 VanDerWaalsContact C-N 3.34Å; L284-I286 PolarHBondContact O-N 3.16Å; I286-Q289 WeakPolarHBondContact O-CB 3.42Å; I286-Q289 PolarHBondContact O-N 3.06Å |
| 287 | R | 88.6 | Confident | 88.1 | Confident | 161 Ų | 161 | 72 Ų | 72 | 61% | 0.608 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.3 | -45.3 | 173.3 | -75.7 | -170.8 | 178.9 | 158.9 | 1.2 | 111.7 | L283 L284 Q289 S290 | L283-R287 WeakPolarHBondContact O-CG 3.49Å; L283-R287 PolarHBondContact O-N 3.35Å; L284-R287 PolarHBondContact O-N 3.43Å; R287-Q289 PolarHBondContact O-N 2.98Å; R287-S290 PolarHBondContact O-N 3.44Å; R287-S290 PolarHBondContact O-OG 3.23Å |
| 288 | L | 88.2 | Confident | 87.3 | Confident | 116 Ų | 116 | 71.6 Ų | 71.6 | 61% | 0.607 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.3 | -21.6 | 176.8 | -68.7 | 171.7 | 0 | 0 | 0 | 112.5 | L284 L285 S290 D291 | L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 VanDerWaalsContact O-CG 3.3Å; L284-L288 WeakPolarHBondContact O-CG 3.35Å; L284-L288 PolarHBondContact O-N 3.4Å; L285-L288 PolarHBondContact O-N 2.78Å; L288-S290 VanDerWaalsContact C-N 3.27Å; L288-S290 PolarHBondContact O-N 2.94Å; L288-D291 PolarHBondContact O-N 3.49Å |
| 289 | Q | 84 | Confident | 86.6 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.9 | -31.4 | 174.8 | -173.2 | 174.1 | 16.3 | 0 | 0 | 112.5 | R47 L285 I286 R287 D291 K292 | R47-Q289 PolarHBondContact O-NE2 3.07Å; L285-Q289 PolarHBondContact O-N 3.25Å; I286-Q289 WeakPolarHBondContact O-CB 3.42Å; I286-Q289 PolarHBondContact O-N 3.06Å; R287-Q289 PolarHBondContact O-N 2.98Å; Q289-D291 PolarHBondContact O-N 3.31Å; Q289-K292 WeakPolarHBondContact O-CB 3.16Å; Q289-K292 PolarHBondContact O-N 2.9Å |
| 290 | S | 80.3 | Confident | 85.9 | Confident | 94 Ų | 94 | 75.8 Ų | 75.8 | 66% | 0.657 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -23.7 | 177 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | R287 L288 K292 | R287-S290 PolarHBondContact O-N 3.44Å; R287-S290 PolarHBondContact O-OG 3.23Å; L288-S290 VanDerWaalsContact C-N 3.27Å; L288-S290 PolarHBondContact O-N 2.94Å; S290-K292 VanDerWaalsContact C-N 3.33Å |
| 291 | D | 82.9 | Confident | 85.2 | Confident | 123 Ų | 123 | 80.6 Ų | 80.6 | 66% | 0.658 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 3.4 | -174.8 | -55.5 | -14.9 | 0 | 0 | 0 | 111.7 | L288 Q289 D293 | L288-D291 PolarHBondContact O-N 3.49Å; Q289-D291 PolarHBondContact O-N 3.31Å; D291-D293 PolarHBondContact O-N 3Å |
| 292 | K | 82.2 | Confident | 84.2 | Confident | 121 Ų | 121 | 82.3 Ų | 82.3 | 53% | 0.526 | 43% | 0.427 | S | S | . | . | trans | -75.4 | 118.8 | 178.3 | -170.3 | 169.8 | -177.2 | 174 | 0 | 110.3 | N43 L46 Q289 S290 | N43-K292 PolarHBondContact ND2-O 2.75Å; N43-K292 PolarHBondContact OD1-O 3.36Å; L46-K292 HydrophobicContact CD2-CD 4.05Å; L46-K292 HydrophobicContact CD2-CG 4.46Å; Q289-K292 WeakPolarHBondContact O-CB 3.16Å; Q289-K292 PolarHBondContact O-N 2.9Å; S290-K292 VanDerWaalsContact C-N 3.33Å | ||
| 293 | D | 83.8 | Confident | 83.2 | Confident | 101 Ų | 101 | 89.4 Ų | 89.4 | 54% | 0.54 | 46% | 0.46 | S | S | . | . | trans | -117.1 | 93.4 | 172.4 | -166.6 | 15.4 | 0 | 0 | 0 | 109.2 | D291 | D291-D293 PolarHBondContact O-N 3Š| ||
| 294 | N | 82.9 | Confident | 82.2 | Confident | 66 Ų | 66 | 93.7 Ų | 93.7 | 35% | 0.353 | 48% | 0.481 | S | S | . | . | trans | -96.4 | 117.7 | 175.1 | -166.9 | 44.4 | 0 | 0 | 0 | 109.4 | R42 N43 Q296 | R42-N294 CarbonylContact C-O 3.55Å; R42-N294 WeakPolarHBondContact CA-O 3.12Å; N43-N294 PolarHBondContact N-O 3.24Å; N43-N294 PolarHBondContact OD1-N 2.89Å; N294-Q296 PolarHBondContact ND2-NE2 3.43Å | ||
| 295 | I | 84.3 | Confident | 81 | Confident | 71 Ų | 71 | 99.7 Ų | 99.7 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 115.7 | 175.9 | -60.6 | 171 | 0 | 0 | 0 | 107.4 | L40 R42 W299 | L40-I295 HydrophobicContact CD1-CG2 3.8Å; L40-I295 HydrophobicContact CD2-CG2 3.75Å; L40-I295 HydrophobicContact CG-CG2 3.63Å; R42-I295 HydrophobicContact CG-CG1 4.43Å; I295-W299 HydrophobicContact CG2-CH2 4.23Å; I295-W299 HydrophobicContact CG2-CZ2 3.95Å |
| 296 | Q | 83.2 | Confident | 79.7 | Confident | 47 Ų | 47 | 102.7 Ų | 102.7 | 22% | 0.22 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 148.9 | 169.8 | -74 | 165.7 | 6.3 | 0 | 0 | 109 | R41 E44 N294 D300 | R41-Q296 HydrophobicContact CB-CB 4.3Å; R41-Q296 PolarHBondContact N-O 3.02Å; R41-Q296 PolarHBondContact O-N 3.46Å; E44-Q296 PolarHBondContact O-NE2 2.86Å; N294-Q296 PolarHBondContact ND2-NE2 3.43Å; Q296-D300 WeakPolarHBondContact CA-OD2 3.45Å; Q296-D300 WeakPolarHBondContact CB-OD2 3.3Å; Q296-D300 WeakPolarHBondContact CG-OD2 3.27Å |
| 297 | G | 84.3 | Confident | 78.1 | Confident | 13 Ų | 13 | 106.2 Ų | 106.2 | 13% | 0.134 | 53% | 0.53 | C | S | . | . | trans | -162.3 | 179.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W299 D300 | G297-W299 PolarHBondContact O-N 3.4Å; G297-D300 PolarHBondContact N-OD2 3.1Å; G297-D300 WeakPolarHBondContact O-CB 3.28Å; G297-D300 PolarHBondContact O-N 3.46Å | ||
| 298 | P | 78.1 | Confident | 76.5 | Confident | 19 Ų | 19 | 103.2 Ų | 103.2 | 12% | 0.123 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -10.3 | -176.9 | 21.8 | -33.6 | 0 | 0 | 0 | 115.2 | K19 F36 E39 | K19-P298 WeakPolarHBondContact CE-O 3.25Å; K19-P298 VanDerWaalsContact NZ-CB 3.34Å; K19-P298 PolarHBondContact NZ-O 3.46Å; F36-P298 HydrophobicContact CD2-CB 4.21Å; F36-P298 HydrophobicContact CD2-CG 3.36Å; F36-P298 HydrophobicContact CE2-CB 4.29Å; F36-P298 HydrophobicContact CE2-CG 3.48Å; F36-P298 VanDerWaalsContact CE2-CG 3.48Å; F36-P298 HydrophobicContact CG-CG 4Å; F36-P298 HydrophobicContact CZ-CG 4.18Å; E39-P298 HydrophobicContact CB-CG 4.31Å |
| 299 | W | 78.9 | Confident | 75 | Confident | 125 Ų | 125 | 102.7 Ų | 102.7 | 47% | 0.473 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -7.4 | 174.4 | 58.4 | 82.1 | 0 | 0 | 0 | 113.8 | F36 L40 I295 G297 | F36-W299 AromaticContact CE1-CE3 3.91Å; F36-W299 HydrophobicContact CE1-CE3 3.91Å; F36-W299 AromaticContact CE1-CZ3 3.71Å; F36-W299 HydrophobicContact CE1-CZ3 3.71Å; F36-W299 AromaticContact CE2-CE3 3.89Å; F36-W299 HydrophobicContact CE2-CE3 3.89Å; F36-W299 HydrophobicContact CE2-CZ3 4.39Å; F36-W299 HydrophobicContact CZ-CD2 4.43Å; F36-W299 AromaticContact CZ-CE3 3.29Å; F36-W299 HydrophobicContact CZ-CE3 3.29Å; F36-W299 AromaticContact CZ-CZ3 3.61Å; F36-W299 HydrophobicContact CZ-CZ3 3.61Å; L40-W299 HydrophobicContact CD1-CH2 4.09Å; L40-W299 HydrophobicContact CG-CH2 4.38Å; I295-W299 HydrophobicContact CG2-CH2 4.23Å; I295-W299 HydrophobicContact CG2-CZ2 3.95Å; G297-W299 PolarHBondContact O-N 3.4Å |
| 300 | D | 80.1 | Confident | 73.6 | Confident | 73 Ų | 73 | 108.4 Ų | 108.4 | 39% | 0.39 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -65.5 | 147.2 | 177.7 | -67.5 | -26 | 0 | 0 | 0 | 110.8 | Q296 G297 A302 | Q296-D300 WeakPolarHBondContact CA-OD2 3.45Å; Q296-D300 WeakPolarHBondContact CB-OD2 3.3Å; Q296-D300 WeakPolarHBondContact CG-OD2 3.27Å; G297-D300 PolarHBondContact N-OD2 3.1Å; G297-D300 WeakPolarHBondContact O-CB 3.28Å; G297-D300 PolarHBondContact O-N 3.46Å; D300-A302 PolarHBondContact O-N 2.95Å |
| 301 | E | 78.2 | Confident | 72.4 | Confident | 183 Ų | 183 | 111.9 Ų | 111.9 | 86% | 0.855 | 56% | 0.557 | S | S | * | * | trans | -58 | 136.4 | 179.6 | -66.4 | 177.6 | -177.1 | 0 | 0 | 110.5 | E303 | E301-E303 PolarHBondContact O-N 3.12Š| ||
| 302 | A | 72.1 | Confident | 70.8 | Confident | 99 Ų | 99 | 113.1 Ų | 113.1 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | trans | -68.8 | 108.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | D300 I304 | D300-A302 PolarHBondContact O-N 2.95Å; A302-I304 PolarHBondContact O-N 2.78Å | ||
| 303 | E | 72.6 | Confident | 69 | Low | 154 Ų | 154 | 119 Ų | 119 | 72% | 0.72 | 59% | 0.591 | S | S | * | * | trans | -73.9 | 115 | 171.2 | -66.6 | -177.8 | 173.7 | 0 | 0 | 109.7 | E301 R305 | E301-E303 PolarHBondContact O-N 3.12Å; E303-R305 PolarHBondContact O-N 2.76Å | ||
| 304 | I | 71.4 | Confident | 68.3 | Low | 152 Ų | 152 | 119.9 Ų | 119.9 | 78% | 0.779 | 59% | 0.594 | S | S | * | * | trans | -71.6 | 97.5 | 169 | -56.5 | 171.8 | 0 | 0 | 0 | 106.9 | A302 E306 | A302-I304 PolarHBondContact O-N 2.78Å; I304-E306 HydrophobicContact CG2-CG 4.07Å; I304-E306 PolarHBondContact O-N 3.11Å; I304-E306 VanDerWaalsContact O-N 3.1Å | ||
| 305 | R | 65.1 | Low | 67.5 | Low | 205 Ų | 205 | 122.7 Ų | 122.7 | 77% | 0.774 | 61% | 0.607 | S | S | * | * | trans | -76 | 95.8 | 165.5 | -67 | -172.6 | -178.9 | -174.5 | 2.1 | 107.1 | E303 D307 | E303-R305 PolarHBondContact O-N 2.76Å; R305-D307 VanDerWaalsContact C-N 3.34Å; R305-D307 PolarHBondContact O-N 2.88Å | ||
| 306 | E | 63.7 | Low | 66.6 | Low | 146 Ų | 146 | 125.6 Ų | 125.6 | 68% | 0.682 | 62% | 0.62 | S | S | * | * | trans | -63.2 | 100.7 | 167.4 | -66.3 | -176.3 | 177.8 | 0 | 0 | 107.5 | I304 L308 | I304-E306 HydrophobicContact CG2-CG 4.07Å; I304-E306 PolarHBondContact O-N 3.11Å; I304-E306 VanDerWaalsContact O-N 3.1Å; E306-L308 HydrophobicContact CB-CG 4.32Å; E306-L308 PolarHBondContact O-N 3.01Å | ||
| 307 | D | 55.1 | Low | 65.6 | Low | 123 Ų | 123 | 130.2 Ų | 130.2 | 66% | 0.658 | 64% | 0.644 | S | S | * | * | trans | -67.6 | 76.7 | 166.8 | -83.5 | -24 | 0 | 0 | 0 | 108.2 | R305 T309 H310 | R305-D307 VanDerWaalsContact C-N 3.34Å; R305-D307 PolarHBondContact O-N 2.88Å; D307-T309 PolarHBondContact O-N 2.99Å; D307-H310 PolarHBondContact O-N 3.12Å | ||
| 308 | L | 55.2 | Low | 64.4 | Low | 97 Ų | 97 | 137.6 Ų | 137.6 | 51% | 0.508 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -61.3 | -5.6 | 174.4 | -80.6 | 159 | 0 | 0 | 0 | 112.9 | E306 H310 F311 | E306-L308 HydrophobicContact CB-CG 4.32Å; E306-L308 PolarHBondContact O-N 3.01Å; L308-H310 PolarHBondContact O-N 3.29Å; L308-F311 HydrophobicContact CD2-CD2 4.27Å; L308-F311 PolarHBondContact O-N 3.24Å; L308-F311 VanDerWaalsContact O-N 3.12Å |
| 309 | T | 56 | Low | 63.5 | Low | 106 Ų | 106 | 145.5 Ų | 145.5 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -60.1 | -26.5 | 171.4 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | D307 | D307-T309 PolarHBondContact O-N 2.99Š|
| 310 | H | 56 | Low | 62.4 | Low | 158 Ų | 158 | 146.9 Ų | 146.9 | 73% | 0.731 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -80.1 | -15.9 | 176 | -164.7 | -75.2 | 0 | 0 | 0 | 113.8 | D307 L308 | D307-H310 PolarHBondContact O-N 3.12Å; L308-H310 PolarHBondContact O-N 3.29Å |
| 311 | F | 55.2 | Low | 61.1 | Low | 167 Ų | 167 | 152.6 Ų | 152.6 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -100.5 | -1.9 | -179 | -68.9 | -73.1 | 0 | 0 | 0 | 114.1 | L308 | L308-F311 HydrophobicContact CD2-CD2 4.27Å; L308-F311 PolarHBondContact O-N 3.24Å; L308-F311 VanDerWaalsContact O-N 3.12Å |
| 312 | L | 48.6 | Very low | 59.7 | Low | 149 Ų | 149 | 150.1 Ų | 150.1 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | trans | -104.4 | 35.9 | -179.7 | -73.9 | 172.8 | 0 | 0 | 0 | 113.3 | ||||
| 313 | H | 45 | Very low | 58.5 | Low | 245 Ų | 245 | 154.7 Ų | 154.7 | 100% | 1.134 | 74% | 0.741 | S | S | * | * | trans | -113 | 0 | 169.3 | -94.8 | -99.1 | 0 | 0 | 0 | 111.4 |
Retrieved 313 of 313 residues in 55.1 ms
(Link to these results)