| 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 | 35.3 | Very low | 42.3 | Very low | 240 Ų | 240 | 142 Ų | 142 | 100% | 1.182 | 72% | 0.72 | S | S | * | * | 0 | 110 | 0 | -77.3 | 174 | 174.1 | 0 | 0 | 108.3 | K3 | M1-K3 PolarHBondContact O-N 2.89Š| |||
| 2 | A | 35.5 | Very low | 43.3 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | trans | -67.5 | 121.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | K4 | A2-K4 PolarHBondContact O-N 3.32Å; A2-K4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | K | 35.4 | Very low | 44.5 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | -56.5 | 113.3 | 168.8 | -91 | -179 | 172.1 | -178.9 | 0 | 107.5 | M1 P5 | M1-K3 PolarHBondContact O-N 2.89Å; K3-P5 WeakPolarHBondContact O-CD 3.28Å | ||
| 4 | K | 40.9 | Very low | 45.8 | Very low | 189 Ų | 189 | 131.5 Ų | 131.5 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | trans | -58.3 | 120.8 | 170.9 | -78.8 | -175.5 | 177 | 179.9 | 0 | 108.1 | A2 G6 | A2-K4 PolarHBondContact O-N 3.32Å; A2-K4 VanDerWaalsContact O-N 3.09Å; K4-G6 PolarHBondContact O-N 3.43Å | ||
| 5 | P | 39.4 | Very low | 46.4 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 27.1 | -177.9 | 31.5 | -34.3 | 0 | 0 | 0 | 113.3 | K3 | K3-P5 WeakPolarHBondContact O-CD 3.28Š|
| 6 | G | 42.4 | Very low | 47.2 | Very low | 47 Ų | 47 | 130.3 Ų | 130.3 | 49% | 0.485 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.2 | -23.4 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | K4 | K4-G6 PolarHBondContact O-N 3.43Š|
| 7 | N | 45.1 | Very low | 47.9 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 45% | 0.449 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -113 | -14.7 | -166.8 | -83.3 | 6.4 | 0 | 0 | 0 | 115.9 | M9 F11 | N7-M9 VanDerWaalsContact C-N 3.3Å; N7-M9 PolarHBondContact O-N 3.1Å; N7-F11 VanDerWaalsContact O-CD2 3.31Å; N7-F11 WeakPolarHBondContact O-CD2 3.36Å |
| 8 | Y | 46 | Very low | 48.8 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 66% | 0.655 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -75.7 | -16.7 | -177.9 | -67.5 | -76.5 | 0 | 0 | 0 | 114.1 | Y10 | Y8-Y10 PolarHBondContact O-N 3.17Š|
| 9 | M | 47.3 | Very low | 49.7 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 75% | 0.754 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -71.1 | -14.3 | -179.8 | -98.8 | -175 | 175.4 | 0 | 0 | 114 | N7 F14 | N7-M9 VanDerWaalsContact C-N 3.3Å; N7-M9 PolarHBondContact O-N 3.1Å; M9-F14 WeakPolarHBondContact O-CZ 3.33Å |
| 10 | Y | 51 | Low | 50.4 | Low | 129 Ų | 129 | 134.9 Ų | 134.9 | 51% | 0.506 | 67% | 0.67 | S | S | . | * | G | 310 helix | trans | -118.9 | 8.2 | -177.9 | -61.3 | -75.8 | 0 | 0 | 0 | 113.9 | Y8 G12 F14 I21 L24 | Y8-Y10 PolarHBondContact O-N 3.17Å; Y10-G12 VanDerWaalsContact C-N 3.33Å; Y10-G12 PolarHBondContact O-N 3.36Å; Y10-G12 VanDerWaalsContact O-N 3.12Å; Y10-F14 HydrophobicContact CD1-CE2 4.29Å; Y10-F14 HydrophobicContact CD1-CZ 4.48Å; Y10-F14 WeakPolarHBondContact O-CE2 3.31Å; Y10-I21 HydrophobicContact CE1-CG2 4.42Å; Y10-L24 HydrophobicContact CD1-CD1 4.1Å; Y10-L24 HydrophobicContact CE1-CD1 3.53Å |
| 11 | F | 47.1 | Very low | 51 | Low | 154 Ų | 154 | 129 Ų | 129 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -82.4 | 81.6 | 166.9 | -87.7 | -83.9 | 0 | 0 | 0 | 109.1 | N7 | N7-F11 VanDerWaalsContact O-CD2 3.31Å; N7-F11 WeakPolarHBondContact O-CD2 3.36Å |
| 12 | G | 54.6 | Low | 52.3 | Low | 47 Ų | 47 | 120.7 Ų | 120.7 | 49% | 0.485 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -177.8 | 159.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y10 F14 | Y10-G12 VanDerWaalsContact C-N 3.33Å; Y10-G12 PolarHBondContact O-N 3.36Å; Y10-G12 VanDerWaalsContact O-N 3.12Å; G12-F14 WeakPolarHBondContact O-CD2 3.44Å; G12-F14 WeakPolarHBondContact O-CE2 3.49Å; G12-F14 PolarHBondContact O-N 2.96Å |
| 13 | C | 59 | Low | 53.7 | Low | 145 Ų | 145 | 121.4 Ų | 121.4 | 98% | 0.98 | 60% | 0.6 | S | S | * | * | trans | -73.1 | 110.6 | 165.7 | -83.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 14 | F | 61.9 | Low | 55 | Low | 87 Ų | 87 | 115.4 Ų | 115.4 | 38% | 0.382 | 58% | 0.576 | S | S | . | * | trans | -92.9 | 138.9 | 172.3 | -61.1 | -80.3 | 0 | 0 | 0 | 109.8 | M9 Y10 G12 L16 I21 | M9-F14 WeakPolarHBondContact O-CZ 3.33Å; Y10-F14 HydrophobicContact CD1-CE2 4.29Å; Y10-F14 HydrophobicContact CD1-CZ 4.48Å; Y10-F14 WeakPolarHBondContact O-CE2 3.31Å; G12-F14 WeakPolarHBondContact O-CD2 3.44Å; G12-F14 WeakPolarHBondContact O-CE2 3.49Å; G12-F14 PolarHBondContact O-N 2.96Å; F14-L16 PolarHBondContact O-N 3.44Å; F14-I21 HydrophobicContact CB-CD1 4.09Å; F14-I21 HydrophobicContact CB-CG2 4.24Å; F14-I21 HydrophobicContact CG-CG2 4.29Å | ||
| 15 | Y | 55.3 | Low | 56 | Low | 187 Ų | 187 | 111.1 Ų | 111.1 | 73% | 0.733 | 56% | 0.555 | S | S | * | * | trans | -65.1 | 129.9 | 170.8 | -118.6 | -90.7 | 0 | 0 | 0 | 108.6 | F17 D18 I21 | Y15-F17 PolarHBondContact O-N 3.14Å; Y15-D18 VanDerWaalsContact O-CB 3.26Å; Y15-D18 WeakPolarHBondContact O-CB 3.46Å; Y15-D18 PolarHBondContact O-N 3.01Å; Y15-I21 WeakPolarHBondContact O-CD1 3.49Å | ||
| 16 | L | 59.3 | Low | 57.2 | Low | 56 Ų | 56 | 109.7 Ų | 109.7 | 29% | 0.293 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -33.8 | 179.8 | -148.6 | 81.3 | 0 | 0 | 0 | 113.4 | F14 W25 F29 | F14-L16 PolarHBondContact O-N 3.44Å; L16-W25 PolarHBondContact O-NE1 3.23Å; L16-F29 HydrophobicContact CD1-CE1 3.53Å; L16-F29 HydrophobicContact CD1-CZ 3.3Å; L16-F29 HydrophobicContact CD2-CE1 3.6Å; L16-F29 HydrophobicContact CD2-CZ 3.84Å; L16-F29 HydrophobicContact CG-CE1 3.56Å; L16-F29 HydrophobicContact CG-CE2 4.4Å; L16-F29 HydrophobicContact CG-CZ 3.26Å |
| 17 | F | 59 | Low | 58.2 | Low | 151 Ų | 151 | 113.1 Ų | 113.1 | 66% | 0.662 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 8.4 | -177.5 | -57.3 | -67 | 0 | 0 | 0 | 114.2 | Y15 R19 W25 | Y15-F17 PolarHBondContact O-N 3.14Å; F17-R19 PolarHBondContact O-N 2.77Å; F17-W25 HydrophobicContact CD1-CZ2 4.34Å |
| 18 | D | 63.4 | Low | 59 | Low | 57 Ų | 57 | 112.6 Ų | 112.6 | 31% | 0.305 | 55% | 0.548 | S | S | . | . | trans | -66.9 | 121.9 | 174.3 | -169.8 | -12.4 | 0 | 0 | 0 | 109 | Y15 K20 I21 | Y15-D18 VanDerWaalsContact O-CB 3.26Å; Y15-D18 WeakPolarHBondContact O-CB 3.46Å; Y15-D18 PolarHBondContact O-N 3.01Å; D18-K20 PolarHBondContact O-N 2.86Å; D18-K20 PolarHBondContact OD1-N 3.47Å; D18-I21 HydrophobicContact CB-CG1 4.15Å; D18-I21 WeakPolarHBondContact O-CG1 3.37Å; D18-I21 PolarHBondContact O-N 2.91Å; D18-I21 VanDerWaalsContact O-N 3.09Å | ||
| 19 | R | 66.3 | Low | 59.8 | Low | 236 Ų | 236 | 106 Ų | 106 | 89% | 0.891 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -56.3 | -25.2 | -178.9 | -86.3 | -176 | 172.6 | 179.6 | -1.9 | 112.3 | F17 I21 S22 | F17-R19 PolarHBondContact O-N 2.77Å; R19-I21 VanDerWaalsContact C-N 3.27Å; R19-I21 PolarHBondContact O-N 2.93Å; R19-S22 WeakPolarHBondContact O-CB 3.45Å; R19-S22 PolarHBondContact O-N 3.48Å |
| 20 | K | 64.2 | Low | 60.9 | Low | 170 Ų | 170 | 102.8 Ų | 102.8 | 74% | 0.739 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -68.3 | -21.6 | -179.3 | -67.8 | -176.9 | -179.7 | 179.4 | 0 | 114.3 | D18 | D18-K20 PolarHBondContact O-N 2.86Å; D18-K20 PolarHBondContact OD1-N 3.47Å |
| 21 | I | 63.6 | Low | 62.4 | Low | 11 Ų | 11 | 103.3 Ų | 103.3 | 6% | 0.056 | 51% | 0.514 | C | S | . | . | G | 310 helix | trans | -102.7 | 6.7 | 178.2 | 53.6 | 164.7 | 0 | 0 | 0 | 112.9 | Y10 F14 Y15 D18 R19 T23 L24 W25 | Y10-I21 HydrophobicContact CE1-CG2 4.42Å; F14-I21 HydrophobicContact CB-CD1 4.09Å; F14-I21 HydrophobicContact CB-CG2 4.24Å; F14-I21 HydrophobicContact CG-CG2 4.29Å; Y15-I21 WeakPolarHBondContact O-CD1 3.49Å; D18-I21 HydrophobicContact CB-CG1 4.15Å; D18-I21 WeakPolarHBondContact O-CG1 3.37Å; D18-I21 PolarHBondContact O-N 2.91Å; D18-I21 VanDerWaalsContact O-N 3.09Å; R19-I21 VanDerWaalsContact C-N 3.27Å; R19-I21 PolarHBondContact O-N 2.93Å; I21-T23 PolarHBondContact O-N 3.14Å; I21-L24 HydrophobicContact CB-CD1 4.35Å; I21-L24 HydrophobicContact CG2-CD1 4.07Å; I21-L24 WeakPolarHBondContact O-CA 3.39Å; I21-L24 WeakPolarHBondContact O-CB 3.33Å; I21-L24 PolarHBondContact O-N 3.41Å; I21-W25 PolarHBondContact O-N 3.34Å |
| 22 | S | 61.4 | Low | 64.1 | Low | 65 Ų | 65 | 98.5 Ų | 98.5 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -57.5 | -32.3 | 178.7 | 173.6 | 0 | 0 | 0 | 0 | 112.9 | R19 L24 W25 | R19-S22 WeakPolarHBondContact O-CB 3.45Å; R19-S22 PolarHBondContact O-N 3.48Å; S22-L24 VanDerWaalsContact C-N 3.28Å; S22-L24 PolarHBondContact O-N 3Å; S22-W25 VanDerWaalsContact O-CB 3.24Å; S22-W25 WeakPolarHBondContact O-CB 3.43Å; S22-W25 PolarHBondContact O-N 3.41Å |
| 23 | T | 65.8 | Low | 65.4 | Low | 116 Ų | 116 | 98.8 Ų | 98.8 | 71% | 0.712 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -69.6 | -24.9 | 174.1 | 23.4 | 0 | 0 | 0 | 0 | 113.5 | I21 | I21-T23 PolarHBondContact O-N 3.14Š|
| 24 | L | 62.8 | Low | 66.7 | Low | 46 Ų | 46 | 96 Ų | 96 | 24% | 0.241 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -85.1 | -11.7 | 174.1 | -75.4 | 148.7 | 0 | 0 | 0 | 112.1 | Y10 I21 S22 I27 I28 | Y10-L24 HydrophobicContact CD1-CD1 4.1Å; Y10-L24 HydrophobicContact CE1-CD1 3.53Å; I21-L24 HydrophobicContact CB-CD1 4.35Å; I21-L24 HydrophobicContact CG2-CD1 4.07Å; I21-L24 WeakPolarHBondContact O-CA 3.39Å; I21-L24 WeakPolarHBondContact O-CB 3.33Å; I21-L24 PolarHBondContact O-N 3.41Å; S22-L24 VanDerWaalsContact C-N 3.28Å; S22-L24 PolarHBondContact O-N 3Å; L24-I27 HydrophobicContact CD2-CD1 4.44Å; L24-I27 CarbonylContact O-C 3.57Å; L24-I27 WeakPolarHBondContact O-CA 3.24Å; L24-I27 WeakPolarHBondContact O-CB 3.5Å; L24-I27 PolarHBondContact O-N 3.17Å; L24-I28 HydrophobicContact CB-CD1 3.64Å; L24-I28 HydrophobicContact CB-CG1 4.19Å; L24-I28 WeakPolarHBondContact O-CG1 3.44Å; L24-I28 PolarHBondContact O-N 2.95Å |
| 25 | W | 60.9 | Low | 67.9 | Low | 100 Ų | 100 | 93.5 Ų | 93.5 | 38% | 0.379 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -52.8 | -46.9 | -178.7 | -83.1 | 20.5 | 0 | 0 | 0 | 115 | L16 F17 I21 S22 I27 I28 F29 | L16-W25 PolarHBondContact O-NE1 3.23Å; F17-W25 HydrophobicContact CD1-CZ2 4.34Å; I21-W25 PolarHBondContact O-N 3.34Å; S22-W25 VanDerWaalsContact O-CB 3.24Å; S22-W25 WeakPolarHBondContact O-CB 3.43Å; S22-W25 PolarHBondContact O-N 3.41Å; W25-I27 PolarHBondContact O-N 2.92Å; W25-I28 PolarHBondContact O-N 3.42Å; W25-F29 HydrophobicContact CB-CD2 3.61Å; W25-F29 HydrophobicContact CB-CE2 4.11Å; W25-F29 AromaticContact CD1-CD2 3.68Å; W25-F29 AromaticContact CD1-CE2 3.23Å; W25-F29 AromaticContact CD2-CD2 3.9Å; W25-F29 HydrophobicContact CD2-CD2 3.9Å; W25-F29 AromaticContact CD2-CE2 3.97Å; W25-F29 HydrophobicContact CD2-CE2 3.97Å; W25-F29 AromaticContact CE2-CE2 3.89Å; W25-F29 AromaticContact CG-CD2 3.46Å; W25-F29 HydrophobicContact CG-CD2 3.46Å; W25-F29 VanDerWaalsContact CG-CD2 3.46Å; W25-F29 AromaticContact CG-CE2 3.53Å; W25-F29 HydrophobicContact CG-CE2 3.53Å; W25-F29 AromaticContact NE1-CE2 3.41Å; W25-F29 WeakPolarHBondContact O-CA 3.4Å; W25-F29 WeakPolarHBondContact O-CB 3.36Å; W25-F29 WeakPolarHBondContact O-CD2 3.28Å; W25-F29 PolarHBondContact O-N 3.46Å |
| 26 | P | 64 | Low | 69.5 | Low | 96 Ų | 96 | 85.3 Ų | 85.3 | 62% | 0.623 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.9 | -18 | 178 | 23.5 | -32.4 | 0 | 0 | 0 | 113.5 | ||
| 27 | I | 64.3 | Low | 70.9 | Confident | 118 Ų | 118 | 86.8 Ų | 86.8 | 61% | 0.605 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -86.9 | -38.6 | 176.3 | -57.3 | 173.4 | 0 | 0 | 0 | 110.1 | L24 W25 | L24-I27 HydrophobicContact CD2-CD1 4.44Å; L24-I27 CarbonylContact O-C 3.57Å; L24-I27 WeakPolarHBondContact O-CA 3.24Å; L24-I27 WeakPolarHBondContact O-CB 3.5Å; L24-I27 PolarHBondContact O-N 3.17Å; W25-I27 PolarHBondContact O-N 2.92Å |
| 28 | I | 61.4 | Low | 72.5 | Confident | 74 Ų | 74 | 82.5 Ų | 82.5 | 38% | 0.379 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -88.6 | -44.8 | -176.2 | -62.3 | 174.7 | 0 | 0 | 0 | 112.2 | L24 W25 R30 | L24-I28 HydrophobicContact CB-CD1 3.64Å; L24-I28 HydrophobicContact CB-CG1 4.19Å; L24-I28 WeakPolarHBondContact O-CG1 3.44Å; L24-I28 PolarHBondContact O-N 2.95Å; W25-I28 PolarHBondContact O-N 3.42Å; I28-R30 VanDerWaalsContact C-N 3.34Å; I28-R30 PolarHBondContact O-N 2.94Å |
| 29 | F | 62.7 | Low | 73.9 | Confident | 28 Ų | 28 | 83.4 Ų | 83.4 | 12% | 0.123 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -92.6 | 56.4 | 176.6 | -55.9 | -73.5 | 0 | 0 | 0 | 111.5 | L16 W25 F33 I34 | L16-F29 HydrophobicContact CD1-CE1 3.53Å; L16-F29 HydrophobicContact CD1-CZ 3.3Å; L16-F29 HydrophobicContact CD2-CE1 3.6Å; L16-F29 HydrophobicContact CD2-CZ 3.84Å; L16-F29 HydrophobicContact CG-CE1 3.56Å; L16-F29 HydrophobicContact CG-CE2 4.4Å; L16-F29 HydrophobicContact CG-CZ 3.26Å; W25-F29 HydrophobicContact CB-CD2 3.61Å; W25-F29 HydrophobicContact CB-CE2 4.11Å; W25-F29 AromaticContact CD1-CD2 3.68Å; W25-F29 AromaticContact CD1-CE2 3.23Å; W25-F29 AromaticContact CD2-CD2 3.9Å; W25-F29 HydrophobicContact CD2-CD2 3.9Å; W25-F29 AromaticContact CD2-CE2 3.97Å; W25-F29 HydrophobicContact CD2-CE2 3.97Å; W25-F29 AromaticContact CE2-CE2 3.89Å; W25-F29 AromaticContact CG-CD2 3.46Å; W25-F29 HydrophobicContact CG-CD2 3.46Å; W25-F29 VanDerWaalsContact CG-CD2 3.46Å; W25-F29 AromaticContact CG-CE2 3.53Å; W25-F29 HydrophobicContact CG-CE2 3.53Å; W25-F29 AromaticContact NE1-CE2 3.41Å; W25-F29 WeakPolarHBondContact O-CA 3.4Å; W25-F29 WeakPolarHBondContact O-CB 3.36Å; W25-F29 WeakPolarHBondContact O-CD2 3.28Å; W25-F29 PolarHBondContact O-N 3.46Å; F29-F33 AromaticContact CD1-CD1 3.71Å; F29-F33 HydrophobicContact CD1-CD1 3.71Å; F29-F33 AromaticContact CD1-CE1 3.89Å; F29-F33 HydrophobicContact CD1-CE1 3.89Å; F29-F33 HydrophobicContact CE1-CD1 4.06Å; F29-F33 AromaticContact CE1-CE1 3.75Å; F29-F33 HydrophobicContact CE1-CE1 3.75Å; F29-I34 HydrophobicContact CB-CD1 4.23Å; F29-I34 HydrophobicContact CB-CG1 4.12Å |
| 30 | R | 71.8 | Confident | 75 | Confident | 86 Ų | 86 | 76.9 Ų | 76.9 | 33% | 0.325 | 40% | 0.396 | S | S | . | . | trans | -59.3 | 154 | 165.3 | -85 | 175.7 | 158.2 | -162.3 | 2.9 | 110.1 | I28 W32 F33 I34 E98 I101 | I28-R30 VanDerWaalsContact C-N 3.34Å; I28-R30 PolarHBondContact O-N 2.94Å; R30-W32 VanDerWaalsContact CB-CD1 3.49Å; R30-W32 HydrophobicContact CB-CG 4.3Å; R30-W32 PolarHBondContact O-N 2.96Å; R30-F33 WeakPolarHBondContact O-CA 3.36Å; R30-F33 WeakPolarHBondContact O-CB 3.48Å; R30-F33 PolarHBondContact O-N 3.42Å; R30-I34 PolarHBondContact O-N 3.49Å; R30-E98 WeakPolarHBondContact CD-OE1 3.41Å; R30-E98 IonicContact CZ-OE1 3.46Å; R30-E98 IonicContact CZ-OE2 3.36Å; R30-E98 IonicContact NE-OE1 3.73Å; R30-E98 PolarHBondContact NE-OE1 3.31Å; R30-E98 IonicContact NH1-OE1 2.64Å; R30-E98 PolarHBondContact NH1-OE1 3.32Å; R30-E98 IonicContact NH1-OE2 2.64Å; R30-E98 PolarHBondContact NH1-OE2 2.93Å; R30-I101 VanDerWaalsContact NH1-CD1 3.34Å | ||
| 31 | D | 81.9 | Confident | 76.4 | Confident | 139 Ų | 139 | 72.7 Ų | 72.7 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -51.8 | -35.6 | -175.7 | -60.2 | -29.8 | 0 | 0 | 0 | 112.7 | F33 I34 A35 | D31-F33 VanDerWaalsContact C-N 3.34Å; D31-F33 PolarHBondContact O-N 3.41Å; D31-I34 PolarHBondContact O-N 2.98Å; D31-A35 WeakPolarHBondContact O-CB 3.31Å; D31-A35 PolarHBondContact O-N 3.43Å |
| 32 | W | 82.4 | Confident | 77.9 | Confident | 53 Ų | 53 | 75 Ų | 75 | 20% | 0.201 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64 | -36.1 | 176.5 | 70.2 | -105.5 | 0 | 0 | 0 | 112.8 | R30 C36 T90 M91 E98 | R30-W32 VanDerWaalsContact CB-CD1 3.49Å; R30-W32 HydrophobicContact CB-CG 4.3Å; R30-W32 PolarHBondContact O-N 2.96Å; W32-C36 WeakPolarHBondContact O-CB 3.45Å; W32-C36 PolarHBondContact O-N 2.94Å; W32-T90 HydrophobicContact CB-CG2 4.06Å; W32-T90 VanDerWaalsContact O-CG2 3.31Å; W32-T90 WeakPolarHBondContact O-CG2 3.4Å; W32-M91 HydrophobicContact CH2-CE 4.37Å; W32-M91 HydrophobicContact CH2-SD 4.37Å; W32-M91 HydrophobicContact CZ3-CE 4.25Å; W32-M91 HydrophobicContact CZ3-SD 3.67Å; W32-E98 HydrophobicContact CZ2-CG 4.08Å; W32-E98 PolarHBondContact NE1-OE1 3.34Å |
| 33 | F | 83 | Confident | 79.4 | Confident | 54 Ų | 54 | 72.3 Ų | 72.3 | 24% | 0.237 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.9 | -41.7 | 178.7 | -173.1 | -91.8 | 0 | 0 | 0 | 110.7 | F29 R30 D31 C36 Q37 | F29-F33 AromaticContact CD1-CD1 3.71Å; F29-F33 HydrophobicContact CD1-CD1 3.71Å; F29-F33 AromaticContact CD1-CE1 3.89Å; F29-F33 HydrophobicContact CD1-CE1 3.89Å; F29-F33 HydrophobicContact CE1-CD1 4.06Å; F29-F33 AromaticContact CE1-CE1 3.75Å; F29-F33 HydrophobicContact CE1-CE1 3.75Å; R30-F33 WeakPolarHBondContact O-CA 3.36Å; R30-F33 WeakPolarHBondContact O-CB 3.48Å; R30-F33 PolarHBondContact O-N 3.42Å; D31-F33 VanDerWaalsContact C-N 3.34Å; D31-F33 PolarHBondContact O-N 3.41Å; F33-C36 PolarHBondContact O-N 3.47Å; F33-Q37 WeakPolarHBondContact O-CB 3.33Å; F33-Q37 PolarHBondContact O-N 3.47Å |
| 34 | I | 84.5 | Confident | 80.6 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 45% | 0.446 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.1 | -59.5 | 172.8 | 0 | 0 | 0 | 110.2 | F29 R30 D31 C36 Q37 A38 | F29-I34 HydrophobicContact CB-CD1 4.23Å; F29-I34 HydrophobicContact CB-CG1 4.12Å; R30-I34 PolarHBondContact O-N 3.49Å; D31-I34 PolarHBondContact O-N 2.98Å; I34-C36 PolarHBondContact O-N 2.67Å; I34-Q37 PolarHBondContact O-N 3.23Å; I34-A38 PolarHBondContact O-N 2.94Å |
| 35 | A | 87.6 | Confident | 82.2 | Confident | 34 Ų | 34 | 73.7 Ų | 73.7 | 28% | 0.281 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D31 Q37 A38 F39 T90 | D31-A35 WeakPolarHBondContact O-CB 3.31Å; D31-A35 PolarHBondContact O-N 3.43Å; A35-Q37 VanDerWaalsContact C-N 3.3Å; A35-Q37 PolarHBondContact O-N 2.99Å; A35-A38 PolarHBondContact O-N 3.04Å; A35-F39 WeakPolarHBondContact O-CD2 3.35Å; A35-F39 PolarHBondContact O-N 3.2Å; A35-T90 HydrophobicContact CB-CG2 4.34Å |
| 36 | C | 89.2 | Confident | 83.8 | Confident | 15 Ų | 15 | 69.5 Ų | 69.5 | 10% | 0.101 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.7 | -44 | 175.8 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | W32 F33 I34 A38 F39 F40 S87 T90 | W32-C36 WeakPolarHBondContact O-CB 3.45Å; W32-C36 PolarHBondContact O-N 2.94Å; F33-C36 PolarHBondContact O-N 3.47Å; I34-C36 PolarHBondContact O-N 2.67Å; C36-A38 PolarHBondContact O-N 3.03Å; C36-F39 PolarHBondContact O-N 3.41Å; C36-F40 WeakPolarHBondContact O-CB 3.36Å; C36-F40 PolarHBondContact O-N 2.87Å; C36-S87 PolarHBondContact SG-O 3.48Å; C36-T90 HydrophobicContact CB-CG2 4.49Å |
| 37 | Q | 89.4 | Confident | 85.1 | Confident | 87 Ų | 87 | 68.1 Ų | 68.1 | 41% | 0.407 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 179 | -171.6 | 170.1 | 2.6 | 0 | 0 | 112.1 | F33 I34 A35 F40 T41 | F33-Q37 WeakPolarHBondContact O-CB 3.33Å; F33-Q37 PolarHBondContact O-N 3.47Å; I34-Q37 PolarHBondContact O-N 3.23Å; A35-Q37 VanDerWaalsContact C-N 3.3Å; A35-Q37 PolarHBondContact O-N 2.99Å; Q37-F40 PolarHBondContact O-N 2.8Å; Q37-T41 WeakPolarHBondContact O-CB 3.49Å; Q37-T41 PolarHBondContact O-N 3.3Å; Q37-T41 PolarHBondContact O-OG1 3.18Å |
| 38 | A | 91.5 | Very high | 86.6 | Confident | 61 Ų | 61 | 66.1 Ų | 66.1 | 50% | 0.504 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I34 A35 C36 T41 C42 | I34-A38 PolarHBondContact O-N 2.94Å; A35-A38 PolarHBondContact O-N 3.04Å; C36-A38 PolarHBondContact O-N 3.03Å; A38-T41 PolarHBondContact O-N 3.5Å; A38-C42 PolarHBondContact O-N 3.23Å |
| 39 | F | 93.2 | Very high | 88.1 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 33% | 0.329 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.3 | -38.4 | 177.8 | -78.1 | -70.5 | 0 | 0 | 0 | 112.3 | A35 C36 T41 C42 S43 S83 V86 S87 | A35-F39 WeakPolarHBondContact O-CD2 3.35Å; A35-F39 PolarHBondContact O-N 3.2Å; C36-F39 PolarHBondContact O-N 3.41Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.12Å; F39-C42 WeakPolarHBondContact O-CB 3.32Å; F39-C42 PolarHBondContact O-N 3.44Å; F39-S43 PolarHBondContact O-N 3.47Å; F39-S83 WeakPolarHBondContact O-CB 3.36Å; F39-V86 HydrophobicContact CD1-CB 4.15Å; F39-V86 HydrophobicContact CD1-CG1 3.98Å; F39-V86 HydrophobicContact CD2-CB 4.44Å; F39-V86 HydrophobicContact CD2-CG1 3.55Å; F39-V86 HydrophobicContact CE1-CB 4.37Å; F39-V86 HydrophobicContact CE1-CG1 3.95Å; F39-V86 HydrophobicContact CE2-CG1 3.55Å; F39-V86 HydrophobicContact CG-CB 4.21Å; F39-V86 HydrophobicContact CG-CG1 3.8Å; F39-V86 HydrophobicContact CZ-CG1 3.76Å; F39-S87 VanDerWaalsContact C-OG 3.28Å; F39-S87 WeakPolarHBondContact CB-OG 3.31Å |
| 40 | F | 90.5 | Very high | 89.5 | Confident | 99 Ų | 99 | 65.2 Ų | 65.2 | 43% | 0.434 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.7 | -35.5 | 176.7 | -156.2 | -91.4 | 0 | 0 | 0 | 111.7 | C36 Q37 S43 F44 S87 A125 | C36-F40 WeakPolarHBondContact O-CB 3.36Å; C36-F40 PolarHBondContact O-N 2.87Å; Q37-F40 PolarHBondContact O-N 2.8Å; F40-S43 WeakPolarHBondContact O-CB 3.36Å; F40-S43 PolarHBondContact O-N 3.49Å; F40-F44 WeakPolarHBondContact O-CB 3.43Å; F40-F44 PolarHBondContact O-N 3Å; F40-S87 PolarHBondContact N-OG 2.95Å; F40-S87 VanDerWaalsContact N-OG 3.1Å; F40-A125 HydrophobicContact CE2-CB 4.09Å |
| 41 | T | 93.1 | Very high | 90.5 | Very high | 83 Ų | 83 | 65.2 Ų | 65.2 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 173.6 | -55 | 0 | 0 | 0 | 0 | 111.4 | Q37 A38 F39 F44 A45 | Q37-T41 WeakPolarHBondContact O-CB 3.49Å; Q37-T41 PolarHBondContact O-N 3.3Å; Q37-T41 PolarHBondContact O-OG1 3.18Å; A38-T41 PolarHBondContact O-N 3.5Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.12Å; T41-F44 PolarHBondContact O-N 2.94Å; T41-A45 WeakPolarHBondContact O-CB 3.44Å; T41-A45 PolarHBondContact O-N 2.91Å |
| 42 | C | 93.7 | Very high | 90.9 | Very high | 58 Ų | 58 | 61.1 Ų | 61.1 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 174.1 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | A38 F39 A45 S46 | A38-C42 PolarHBondContact O-N 3.23Å; F39-C42 WeakPolarHBondContact O-CB 3.32Å; F39-C42 PolarHBondContact O-N 3.44Å; C42-A45 PolarHBondContact O-N 3.3Å; C42-S46 WeakPolarHBondContact O-CB 3.44Å; C42-S46 PolarHBondContact O-N 3.43Å; C42-S46 PolarHBondContact O-OG 3.01Å |
| 43 | S | 93.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 6% | 0.063 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54.5 | -54.6 | 173 | 154.9 | 0 | 0 | 0 | 0 | 110.8 | F39 F40 A45 S46 H47 N80 T84 | F39-S43 PolarHBondContact O-N 3.47Å; F40-S43 WeakPolarHBondContact O-CB 3.36Å; F40-S43 PolarHBondContact O-N 3.49Å; S43-A45 PolarHBondContact O-N 2.91Å; S43-S46 PolarHBondContact O-N 2.89Å; S43-S46 PolarHBondContact O-OG 2.93Å; S43-H47 WeakPolarHBondContact O-CB 3.33Å; S43-H47 PolarHBondContact O-N 3.24Å; S43-N80 WeakPolarHBondContact CA-OD1 3.45Å; S43-N80 WeakPolarHBondContact CB-OD1 3.41Å; S43-N80 PolarHBondContact O-OD1 3.38Å; S43-N80 PolarHBondContact OG-OD1 2.93Å; S43-T84 WeakPolarHBondContact CB-OG1 3.48Å; S43-T84 PolarHBondContact OG-OG1 3.36Å |
| 44 | F | 92.4 | Very high | 91.6 | Very high | 133 Ų | 133 | 60 Ų | 60 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -57.8 | -46.6 | 179.9 | -177.4 | -105.4 | 0 | 0 | 0 | 112.5 | F40 T41 S46 H47 V48 | F40-F44 WeakPolarHBondContact O-CB 3.43Å; F40-F44 PolarHBondContact O-N 3Å; T41-F44 PolarHBondContact O-N 2.94Å; F44-S46 PolarHBondContact O-N 3.29Å; F44-H47 PolarHBondContact O-N 3.41Å; F44-V48 HydrophobicContact CD1-CG2 4.25Å; F44-V48 HydrophobicContact CD2-CG2 4.47Å; F44-V48 HydrophobicContact CE1-CG2 3.85Å; F44-V48 HydrophobicContact CE2-CG2 4.08Å; F44-V48 HydrophobicContact CZ-CG2 3.75Å; F44-V48 WeakPolarHBondContact O-CG2 3.23Å; F44-V48 PolarHBondContact O-N 2.88Å |
| 45 | A | 95.2 | Very high | 91.8 | Very high | 58 Ų | 58 | 60.6 Ų | 60.6 | 48% | 0.479 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T41 C42 S43 H47 V48 L49 | T41-A45 WeakPolarHBondContact O-CB 3.44Å; T41-A45 PolarHBondContact O-N 2.91Å; C42-A45 PolarHBondContact O-N 3.3Å; S43-A45 PolarHBondContact O-N 2.91Å; A45-H47 VanDerWaalsContact C-N 3.34Å; A45-H47 PolarHBondContact O-N 2.84Å; A45-V48 PolarHBondContact O-N 3.43Å; A45-L49 WeakPolarHBondContact O-CB 3.36Å; A45-L49 PolarHBondContact O-N 3.24Å |
| 46 | S | 93.7 | Very high | 91.9 | Very high | 12 Ų | 12 | 61 Ų | 61 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -35.9 | 177.6 | 67 | 0 | 0 | 0 | 0 | 112.7 | C42 S43 F44 L49 A50 N80 | C42-S46 WeakPolarHBondContact O-CB 3.44Å; C42-S46 PolarHBondContact O-N 3.43Å; C42-S46 PolarHBondContact O-OG 3.01Å; S43-S46 PolarHBondContact O-N 2.89Å; S43-S46 PolarHBondContact O-OG 2.93Å; F44-S46 PolarHBondContact O-N 3.29Å; S46-L49 PolarHBondContact O-N 2.95Å; S46-A50 PolarHBondContact O-N 3.01Å; S46-N80 WeakPolarHBondContact OG-CA 3.28Å; S46-N80 VanDerWaalsContact OG-CB 3.23Å; S46-N80 WeakPolarHBondContact OG-CB 3.26Å; S46-N80 PolarHBondContact OG-N 3.46Å |
| 47 | H | 92.7 | Very high | 91.6 | Very high | 68 Ų | 68 | 63.1 Ų | 63.1 | 32% | 0.315 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69 | -45.1 | 176.6 | -167.4 | 66.1 | 0 | 0 | 0 | 111.8 | S43 F44 A45 L49 A50 E51 | S43-H47 WeakPolarHBondContact O-CB 3.33Å; S43-H47 PolarHBondContact O-N 3.24Å; F44-H47 PolarHBondContact O-N 3.41Å; A45-H47 VanDerWaalsContact C-N 3.34Å; A45-H47 PolarHBondContact O-N 2.84Å; H47-L49 PolarHBondContact O-N 3.17Å; H47-A50 WeakPolarHBondContact O-CB 3.44Å; H47-A50 PolarHBondContact O-N 2.92Å; H47-A50 VanDerWaalsContact O-N 3.17Å; H47-E51 PolarHBondContact O-N 3Å |
| 48 | V | 94.9 | Very high | 91.5 | Very high | 75 Ų | 75 | 64.4 Ų | 64.4 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 173.5 | 170.5 | 0 | 0 | 0 | 0 | 111 | F44 A45 E51 S52 | F44-V48 HydrophobicContact CD1-CG2 4.25Å; F44-V48 HydrophobicContact CD2-CG2 4.47Å; F44-V48 HydrophobicContact CE1-CG2 3.85Å; F44-V48 HydrophobicContact CE2-CG2 4.08Å; F44-V48 HydrophobicContact CZ-CG2 3.75Å; F44-V48 WeakPolarHBondContact O-CG2 3.23Å; F44-V48 PolarHBondContact O-N 2.88Å; A45-V48 PolarHBondContact O-N 3.43Å; V48-E51 PolarHBondContact O-N 3.18Å; V48-S52 WeakPolarHBondContact O-CB 3.2Å; V48-S52 PolarHBondContact O-N 2.69Å |
| 49 | L | 94 | Very high | 91.3 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 177.2 | -161.5 | 129.4 | 0 | 0 | 0 | 111.6 | A45 S46 H47 E51 S52 V53 T76 | A45-L49 WeakPolarHBondContact O-CB 3.36Å; A45-L49 PolarHBondContact O-N 3.24Å; S46-L49 PolarHBondContact O-N 2.95Å; H47-L49 PolarHBondContact O-N 3.17Å; L49-E51 PolarHBondContact O-N 3.47Å; L49-S52 WeakPolarHBondContact CA-OG 3.31Å; L49-S52 PolarHBondContact O-N 3.31Å; L49-S52 PolarHBondContact O-OG 3.47Å; L49-V53 HydrophobicContact CD2-CG2 4.44Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 3.34Å; L49-T76 HydrophobicContact CD2-CG2 3.37Å |
| 50 | A | 92.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.008 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S46 H47 S52 V53 I54 L77 | S46-A50 PolarHBondContact O-N 3.01Å; H47-A50 WeakPolarHBondContact O-CB 3.44Å; H47-A50 PolarHBondContact O-N 2.92Å; H47-A50 VanDerWaalsContact O-N 3.17Å; A50-S52 VanDerWaalsContact C-N 3.33Å; A50-S52 PolarHBondContact O-N 2.92Å; A50-V53 PolarHBondContact O-N 2.98Å; A50-I54 WeakPolarHBondContact O-CG1 3.39Å; A50-I54 PolarHBondContact O-N 3.19Å; A50-L77 HydrophobicContact CB-CD2 4.21Å; A50-L77 HydrophobicContact CB-CG 4.24Å |
| 51 | E | 91.4 | Very high | 90 | Very high | 85 Ų | 85 | 67.8 Ų | 67.8 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 176.2 | -71.9 | -62.8 | 153.2 | 0 | 0 | 111.9 | H47 V48 L49 V53 I54 L55 | H47-E51 PolarHBondContact O-N 3Å; V48-E51 PolarHBondContact O-N 3.18Å; L49-E51 PolarHBondContact O-N 3.47Å; E51-V53 VanDerWaalsContact C-N 3.32Å; E51-V53 PolarHBondContact O-N 2.9Å; E51-I54 PolarHBondContact O-N 3.27Å; E51-L55 WeakPolarHBondContact O-CB 3.22Å; E51-L55 WeakPolarHBondContact O-CG 3.48Å; E51-L55 PolarHBondContact O-N 3.32Å |
| 52 | S | 92.1 | Very high | 88.9 | Confident | 53 Ų | 53 | 66.9 Ų | 66.9 | 37% | 0.371 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 176.6 | 76.5 | 0 | 0 | 0 | 0 | 112.8 | V48 L49 A50 T56 | V48-S52 WeakPolarHBondContact O-CB 3.2Å; V48-S52 PolarHBondContact O-N 2.69Å; L49-S52 WeakPolarHBondContact CA-OG 3.31Å; L49-S52 PolarHBondContact O-N 3.31Å; L49-S52 PolarHBondContact O-OG 3.47Å; A50-S52 VanDerWaalsContact C-N 3.33Å; A50-S52 PolarHBondContact O-N 2.92Å; S52-T56 WeakPolarHBondContact O-CB 3.49Å; S52-T56 VanDerWaalsContact O-CG2 3.31Å; S52-T56 WeakPolarHBondContact O-CG2 3.48Å; S52-T56 PolarHBondContact O-N 2.91Å; S52-T56 PolarHBondContact O-OG1 3.35Å |
| 53 | V | 89.7 | Confident | 87.2 | Confident | 19 Ų | 19 | 69.9 Ų | 69.9 | 12% | 0.115 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.8 | -42 | 175.3 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | L49 A50 E51 T56 Q57 A69 I73 | L49-V53 HydrophobicContact CD2-CG2 4.44Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 3.34Å; A50-V53 PolarHBondContact O-N 2.98Å; E51-V53 VanDerWaalsContact C-N 3.32Å; E51-V53 PolarHBondContact O-N 2.9Å; V53-T56 WeakPolarHBondContact CA-OG1 3.47Å; V53-T56 PolarHBondContact O-N 3.48Å; V53-T56 PolarHBondContact O-OG1 3.5Å; V53-Q57 WeakPolarHBondContact O-CG 3.37Å; V53-Q57 PolarHBondContact O-N 3.36Å; V53-Q57 VanDerWaalsContact O-N 3.14Å; V53-A69 HydrophobicContact CG1-CB 4.19Å; V53-I73 HydrophobicContact CB-CG1 4.1Å; V53-I73 HydrophobicContact CG1-CD1 4.01Å; V53-I73 HydrophobicContact CG1-CG1 3.78Å |
| 54 | I | 89 | Confident | 85.5 | Confident | 64 Ų | 64 | 72.8 Ų | 72.8 | 33% | 0.328 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -49 | 176.4 | -66.1 | 166.5 | 0 | 0 | 0 | 110.6 | A50 E51 T56 Q57 V58 I73 | A50-I54 WeakPolarHBondContact O-CG1 3.39Å; A50-I54 PolarHBondContact O-N 3.19Å; E51-I54 PolarHBondContact O-N 3.27Å; I54-T56 PolarHBondContact O-N 2.77Å; I54-Q57 PolarHBondContact O-N 2.92Å; I54-Q57 VanDerWaalsContact O-N 3.17Å; I54-V58 HydrophobicContact CG2-CG2 4.26Å; I54-V58 WeakPolarHBondContact O-CG2 3.39Å; I54-V58 PolarHBondContact O-N 3.38Å; I54-I73 HydrophobicContact CD1-CD1 4.42Å; I54-I73 HydrophobicContact CG1-CD1 3.58Å; I54-I73 HydrophobicContact CG1-CG1 4.18Å |
| 55 | L | 90.1 | Very high | 84.2 | Confident | 100 Ų | 100 | 73.8 Ų | 73.8 | 52% | 0.524 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61 | -42 | -179.8 | -74.1 | 172.6 | 0 | 0 | 0 | 112.3 | E51 Q57 V58 L59 | E51-L55 WeakPolarHBondContact O-CB 3.22Å; E51-L55 WeakPolarHBondContact O-CG 3.48Å; E51-L55 PolarHBondContact O-N 3.32Å; L55-Q57 VanDerWaalsContact C-N 3.29Å; L55-Q57 PolarHBondContact O-N 3.25Å; L55-V58 PolarHBondContact O-N 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.36Å; L55-L59 VanDerWaalsContact O-CG 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.33Å; L55-L59 PolarHBondContact O-N 2.91Å |
| 56 | T | 88.7 | Confident | 83.2 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 26% | 0.258 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.6 | -32.4 | 177.5 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | S52 V53 I54 G60 L61 | S52-T56 WeakPolarHBondContact O-CB 3.49Å; S52-T56 VanDerWaalsContact O-CG2 3.31Å; S52-T56 WeakPolarHBondContact O-CG2 3.48Å; S52-T56 PolarHBondContact O-N 2.91Å; S52-T56 PolarHBondContact O-OG1 3.35Å; V53-T56 WeakPolarHBondContact CA-OG1 3.47Å; V53-T56 PolarHBondContact O-N 3.48Å; V53-T56 PolarHBondContact O-OG1 3.5Å; I54-T56 PolarHBondContact O-N 2.77Å; T56-G60 PolarHBondContact O-N 2.71Å; T56-L61 PolarHBondContact O-N 3.46Å; T56-L61 VanDerWaalsContact O-N 3.1Å |
| 57 | Q | 84.2 | Confident | 82.4 | Confident | 61 Ų | 61 | 75.3 Ų | 75.3 | 29% | 0.285 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71 | -45.9 | 172.3 | -68.1 | -53.9 | -62.5 | 0 | 0 | 112.2 | V53 I54 L55 L59 G60 V62 A69 | V53-Q57 WeakPolarHBondContact O-CG 3.37Å; V53-Q57 PolarHBondContact O-N 3.36Å; V53-Q57 VanDerWaalsContact O-N 3.14Å; I54-Q57 PolarHBondContact O-N 2.92Å; I54-Q57 VanDerWaalsContact O-N 3.17Å; L55-Q57 VanDerWaalsContact C-N 3.29Å; L55-Q57 PolarHBondContact O-N 3.25Å; Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-L59 PolarHBondContact O-N 2.85Å; Q57-G60 PolarHBondContact O-N 2.7Å; Q57-G60 VanDerWaalsContact O-N 3.14Å; Q57-V62 PolarHBondContact NE2-O 3.42Å; Q57-A69 HydrophobicContact CG-CB 3.83Å |
| 58 | V | 85.7 | Confident | 81.9 | Confident | 114 Ų | 114 | 80.4 Ų | 80.4 | 69% | 0.691 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.1 | -38.9 | -179.8 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | I54 L55 G60 | I54-V58 HydrophobicContact CG2-CG2 4.26Å; I54-V58 WeakPolarHBondContact O-CG2 3.39Å; I54-V58 PolarHBondContact O-N 3.38Å; L55-V58 PolarHBondContact O-N 3.3Å; V58-G60 VanDerWaalsContact C-N 3.27Å; V58-G60 PolarHBondContact O-N 2.9Å |
| 59 | L | 87 | Confident | 81.5 | Confident | 119 Ų | 119 | 77 Ų | 77 | 62% | 0.623 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.9 | 178.8 | -64.2 | 173.7 | 0 | 0 | 0 | 113.5 | L55 Q57 L61 | L55-L59 WeakPolarHBondContact O-CB 3.36Å; L55-L59 VanDerWaalsContact O-CG 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.33Å; L55-L59 PolarHBondContact O-N 2.91Å; Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-L59 PolarHBondContact O-N 2.85Å; L59-L61 HydrophobicContact CB-CD1 3.88Å; L59-L61 HydrophobicContact CB-CG 3.84Å; L59-L61 HydrophobicContact CD1-CD1 3.86Å; L59-L61 PolarHBondContact O-N 3.37Å |
| 60 | G | 80.7 | Confident | 81.1 | Confident | 62 Ų | 62 | 74.3 Ų | 74.3 | 64% | 0.639 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 18.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T56 Q57 V58 V62 | T56-G60 PolarHBondContact O-N 2.71Å; Q57-G60 PolarHBondContact O-N 2.7Å; Q57-G60 VanDerWaalsContact O-N 3.14Å; V58-G60 VanDerWaalsContact C-N 3.27Å; V58-G60 PolarHBondContact O-N 2.9Å; G60-V62 VanDerWaalsContact C-N 3.29Å; G60-V62 PolarHBondContact O-N 3.13Å |
| 61 | L | 77.7 | Confident | 80.8 | Confident | 125 Ų | 125 | 77.9 Ų | 77.9 | 65% | 0.654 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -69.6 | -28.8 | -176.5 | -72.8 | 168.3 | 0 | 0 | 0 | 112.2 | T56 L59 | T56-L61 PolarHBondContact O-N 3.46Å; T56-L61 VanDerWaalsContact O-N 3.1Å; L59-L61 HydrophobicContact CB-CD1 3.88Å; L59-L61 HydrophobicContact CB-CG 3.84Å; L59-L61 HydrophobicContact CD1-CD1 3.86Å; L59-L61 PolarHBondContact O-N 3.37Å |
| 62 | V | 68.9 | Low | 80.7 | Confident | 63 Ų | 63 | 76.1 Ų | 76.1 | 38% | 0.382 | 44% | 0.438 | S | S | . | . | trans | -137.8 | 113.3 | -177.4 | -168.5 | 0 | 0 | 0 | 0 | 110 | Q57 G60 I64 | Q57-V62 PolarHBondContact NE2-O 3.42Å; G60-V62 VanDerWaalsContact C-N 3.29Å; G60-V62 PolarHBondContact O-N 3.13Å; V62-I64 HydrophobicContact CB-CD1 4.37Å; V62-I64 HydrophobicContact CG1-CD1 3.65Å; V62-I64 HydrophobicContact CG1-CG1 3.63Å; V62-I64 PolarHBondContact O-N 3.5Å | ||
| 63 | S | 58.4 | Low | 80.7 | Confident | 122 Ų | 122 | 74.4 Ų | 74.4 | 85% | 0.853 | 42% | 0.424 | S | S | * | . | trans | -77.3 | 55.8 | 173.5 | 77.2 | 0 | 0 | 0 | 0 | 111.6 | F65 | S63-F65 PolarHBondContact O-N 3.49Š| ||
| 64 | I | 57.7 | Low | 80.7 | Confident | 69 Ų | 69 | 75.1 Ų | 75.1 | 35% | 0.354 | 43% | 0.426 | S | S | . | . | trans | -66 | 125.7 | 163.9 | -71.6 | 152.9 | 0 | 0 | 0 | 106 | V62 G66 R68 A69 | V62-I64 HydrophobicContact CB-CD1 4.37Å; V62-I64 HydrophobicContact CG1-CD1 3.65Å; V62-I64 HydrophobicContact CG1-CG1 3.63Å; V62-I64 PolarHBondContact O-N 3.5Å; I64-G66 PolarHBondContact O-N 2.98Å; I64-R68 HydrophobicContact CG2-CB 3.56Å; I64-A69 HydrophobicContact CB-CB 4.48Å; I64-A69 HydrophobicContact CG2-CB 4Å | ||
| 65 | F | 64.4 | Low | 80.9 | Confident | 155 Ų | 155 | 76 Ų | 76 | 68% | 0.68 | 44% | 0.435 | S | S | * | . | trans | -43.4 | 119.3 | 171.2 | -74.2 | -85.1 | 0 | 0 | 0 | 108.7 | S63 S67 R68 A69 | S63-F65 PolarHBondContact O-N 3.49Å; F65-S67 PolarHBondContact O-N 2.89Å; F65-R68 PolarHBondContact O-N 3.26Å; F65-A69 PolarHBondContact O-N 2.84Å | ||
| 66 | G | 74.3 | Confident | 81.1 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 47% | 0.474 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -50.4 | -30.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I64 R68 A69 V70 | I64-G66 PolarHBondContact O-N 2.98Å; G66-R68 PolarHBondContact O-N 2.89Å; G66-A69 PolarHBondContact O-N 2.95Å; G66-V70 VanDerWaalsContact O-CG2 3.24Å; G66-V70 WeakPolarHBondContact O-CG2 3.19Å; G66-V70 PolarHBondContact O-N 3.14Å |
| 67 | S | 78.1 | Confident | 81.3 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 173.4 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | F65 L71 | F65-S67 PolarHBondContact O-N 2.89Å; S67-L71 WeakPolarHBondContact O-CB 3.4Å; S67-L71 PolarHBondContact O-N 3.45Å |
| 68 | R | 82.2 | Confident | 81.7 | Confident | 176 Ų | 176 | 70.4 Ų | 70.4 | 66% | 0.664 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -71.5 | -37.3 | 176.8 | -70.4 | -175.9 | 179.8 | -178 | 0.6 | 111.9 | I64 F65 G66 L71 C72 | I64-R68 HydrophobicContact CG2-CB 3.56Å; F65-R68 PolarHBondContact O-N 3.26Å; G66-R68 PolarHBondContact O-N 2.89Å; R68-L71 PolarHBondContact O-N 3.37Å; R68-C72 WeakPolarHBondContact O-CB 3.47Å; R68-C72 PolarHBondContact O-N 2.93Å |
| 69 | A | 85 | Confident | 82.2 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 3% | 0.033 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | V53 Q57 I64 F65 G66 L71 C72 I73 | V53-A69 HydrophobicContact CG1-CB 4.19Å; Q57-A69 HydrophobicContact CG-CB 3.83Å; I64-A69 HydrophobicContact CB-CB 4.48Å; I64-A69 HydrophobicContact CG2-CB 4Å; F65-A69 PolarHBondContact O-N 2.84Å; G66-A69 PolarHBondContact O-N 2.95Å; A69-L71 PolarHBondContact O-N 3.44Å; A69-C72 WeakPolarHBondContact O-CB 3.33Å; A69-C72 PolarHBondContact O-N 3.33Å; A69-I73 WeakPolarHBondContact O-CG1 3.4Å; A69-I73 PolarHBondContact O-N 2.61Å |
| 70 | V | 85.9 | Confident | 82.5 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 174.5 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | G66 C72 I73 M74 L139 V143 | G66-V70 VanDerWaalsContact O-CG2 3.24Å; G66-V70 WeakPolarHBondContact O-CG2 3.19Å; G66-V70 PolarHBondContact O-N 3.14Å; V70-C72 VanDerWaalsContact C-N 3.32Å; V70-C72 PolarHBondContact O-N 2.88Å; V70-I73 PolarHBondContact O-N 3.5Å; V70-M74 HydrophobicContact CG1-CG 4.38Å; V70-M74 HydrophobicContact CG1-SD 4.09Å; V70-M74 WeakPolarHBondContact O-CG 3.36Å; V70-M74 PolarHBondContact O-N 3.47Å; V70-L139 HydrophobicContact CG1-CD2 4.4Å; V70-V143 HydrophobicContact CB-CG1 4.42Å; V70-V143 HydrophobicContact CG1-CB 4.3Å; V70-V143 HydrophobicContact CG1-CG1 3.85Å; V70-V143 HydrophobicContact CG2-CG1 3.84Å |
| 71 | L | 87 | Confident | 83.2 | Confident | 77 Ų | 77 | 60.3 Ų | 60.3 | 40% | 0.403 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 175.7 | -173.3 | 86 | 0 | 0 | 0 | 111.3 | S67 R68 A69 I73 M74 V75 Y144 | S67-L71 WeakPolarHBondContact O-CB 3.4Å; S67-L71 PolarHBondContact O-N 3.45Å; R68-L71 PolarHBondContact O-N 3.37Å; A69-L71 PolarHBondContact O-N 3.44Å; L71-I73 PolarHBondContact O-N 3.27Å; L71-M74 PolarHBondContact O-N 3.05Å; L71-V75 WeakPolarHBondContact O-CG2 3.39Å; L71-V75 PolarHBondContact O-N 3.48Å; L71-Y144 HydrophobicContact CB-CE2 4.2Å; L71-Y144 HydrophobicContact CD1-CD2 4.46Å; L71-Y144 HydrophobicContact CD1-CE2 3.64Å |
| 72 | C | 89.2 | Confident | 84 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 32% | 0.324 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.9 | -49 | 178 | -174.3 | 0 | 0 | 0 | 0 | 111 | R68 A69 V70 M74 V75 T76 | R68-C72 WeakPolarHBondContact O-CB 3.47Å; R68-C72 PolarHBondContact O-N 2.93Å; A69-C72 WeakPolarHBondContact O-CB 3.33Å; A69-C72 PolarHBondContact O-N 3.33Å; V70-C72 VanDerWaalsContact C-N 3.32Å; V70-C72 PolarHBondContact O-N 2.88Å; C72-M74 PolarHBondContact O-N 2.91Å; C72-V75 PolarHBondContact O-N 3.1Å; C72-T76 WeakPolarHBondContact O-CG2 3.31Å; C72-T76 PolarHBondContact O-N 3.01Å; C72-T76 PolarHBondContact O-OG1 3.2Å |
| 73 | I | 90.5 | Very high | 85.2 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 9% | 0.087 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.3 | -48.2 | 176.7 | -67.6 | 162.3 | 0 | 0 | 0 | 110.7 | V53 I54 A69 V70 L71 V75 T76 L77 L139 | V53-I73 HydrophobicContact CB-CG1 4.1Å; V53-I73 HydrophobicContact CG1-CD1 4.01Å; V53-I73 HydrophobicContact CG1-CG1 3.78Å; I54-I73 HydrophobicContact CD1-CD1 4.42Å; I54-I73 HydrophobicContact CG1-CD1 3.58Å; I54-I73 HydrophobicContact CG1-CG1 4.18Å; A69-I73 WeakPolarHBondContact O-CG1 3.4Å; A69-I73 PolarHBondContact O-N 2.61Å; V70-I73 PolarHBondContact O-N 3.5Å; L71-I73 PolarHBondContact O-N 3.27Å; I73-V75 PolarHBondContact O-N 2.96Å; I73-T76 VanDerWaalsContact CA-OG1 3.31Å; I73-T76 WeakPolarHBondContact CA-OG1 3.04Å; I73-T76 PolarHBondContact O-N 3.5Å; I73-T76 PolarHBondContact O-OG1 3.36Å; I73-L77 HydrophobicContact CG2-CD1 3.64Å; I73-L77 HydrophobicContact CG2-CG 4.19Å; I73-L77 WeakPolarHBondContact O-CB 3.05Å; I73-L77 WeakPolarHBondContact O-CG 3.44Å; I73-L77 PolarHBondContact O-N 3.24Å; I73-L139 HydrophobicContact CG2-CD1 3.75Å |
| 74 | M | 90.8 | Very high | 86.9 | Confident | 33 Ų | 33 | 52 Ų | 52 | 16% | 0.163 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 178.6 | -74.5 | 178.2 | 64.6 | 0 | 0 | 112.1 | V70 L71 C72 S78 L139 Y144 | V70-M74 HydrophobicContact CG1-CG 4.38Å; V70-M74 HydrophobicContact CG1-SD 4.09Å; V70-M74 WeakPolarHBondContact O-CG 3.36Å; V70-M74 PolarHBondContact O-N 3.47Å; L71-M74 PolarHBondContact O-N 3.05Å; C72-M74 PolarHBondContact O-N 2.91Å; M74-S78 WeakPolarHBondContact O-CB 3.41Å; M74-S78 PolarHBondContact O-N 2.96Å; M74-S78 PolarHBondContact O-OG 3.47Å; M74-L139 HydrophobicContact CG-CB 3.72Å; M74-L139 HydrophobicContact CG-CD1 4.18Å; M74-L139 HydrophobicContact SD-CB 4.08Å; M74-Y144 HydrophobicContact SD-CD2 4.43Å; M74-Y144 HydrophobicContact SD-CG 4.48Å |
| 75 | V | 92.3 | Very high | 88.7 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -48 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | L71 C72 I73 L77 S78 V79 | L71-V75 WeakPolarHBondContact O-CG2 3.39Å; L71-V75 PolarHBondContact O-N 3.48Å; C72-V75 PolarHBondContact O-N 3.1Å; I73-V75 PolarHBondContact O-N 2.96Å; V75-L77 PolarHBondContact O-N 2.91Å; V75-S78 WeakPolarHBondContact O-CB 3.26Å; V75-S78 PolarHBondContact O-N 3.1Å; V75-V79 WeakPolarHBondContact O-CG2 3.32Å; V75-V79 PolarHBondContact O-N 3.45Å |
| 76 | T | 93.7 | Very high | 90.1 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 10% | 0.104 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.8 | -40.8 | -178.8 | 47.5 | 0 | 0 | 0 | 0 | 112.7 | L49 C72 I73 S78 V79 N80 | L49-T76 HydrophobicContact CD2-CG2 3.37Å; C72-T76 WeakPolarHBondContact O-CG2 3.31Å; C72-T76 PolarHBondContact O-N 3.01Å; C72-T76 PolarHBondContact O-OG1 3.2Å; I73-T76 VanDerWaalsContact CA-OG1 3.31Å; I73-T76 WeakPolarHBondContact CA-OG1 3.04Å; I73-T76 PolarHBondContact O-N 3.5Å; I73-T76 PolarHBondContact O-OG1 3.36Å; T76-S78 VanDerWaalsContact C-N 3.33Å; T76-S78 PolarHBondContact O-N 3.45Å; T76-V79 PolarHBondContact O-N 2.87Å; T76-N80 PolarHBondContact O-N 2.92Å |
| 77 | L | 93.4 | Very high | 91 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.5 | -32.5 | 174.6 | -73.3 | 174.8 | 0 | 0 | 0 | 111.9 | A50 I73 V75 N80 C81 T135 V136 L139 | A50-L77 HydrophobicContact CB-CD2 4.21Å; A50-L77 HydrophobicContact CB-CG 4.24Å; I73-L77 HydrophobicContact CG2-CD1 3.64Å; I73-L77 HydrophobicContact CG2-CG 4.19Å; I73-L77 WeakPolarHBondContact O-CB 3.05Å; I73-L77 WeakPolarHBondContact O-CG 3.44Å; I73-L77 PolarHBondContact O-N 3.24Å; V75-L77 PolarHBondContact O-N 2.91Å; L77-N80 WeakPolarHBondContact O-CB 3.49Å; L77-N80 PolarHBondContact O-N 2.9Å; L77-C81 WeakPolarHBondContact O-CB 3.11Å; L77-C81 PolarHBondContact O-N 2.91Å; L77-C81 PolarHBondContact O-SG 2.73Å; L77-T135 HydrophobicContact CD1-CG2 3.74Å; L77-V136 HydrophobicContact CB-CG2 3.4Å; L77-V136 HydrophobicContact CD1-CG2 4.23Å; L77-V136 HydrophobicContact CG-CG2 4.47Å; L77-L139 HydrophobicContact CD1-CD1 4.41Å |
| 78 | S | 93.5 | Very high | 91.7 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65 | -42.9 | 173.8 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | M74 V75 T76 N80 C81 F82 | M74-S78 WeakPolarHBondContact O-CB 3.41Å; M74-S78 PolarHBondContact O-N 2.96Å; M74-S78 PolarHBondContact O-OG 3.47Å; V75-S78 WeakPolarHBondContact O-CB 3.26Å; V75-S78 PolarHBondContact O-N 3.1Å; T76-S78 VanDerWaalsContact C-N 3.33Å; T76-S78 PolarHBondContact O-N 3.45Å; S78-N80 VanDerWaalsContact C-N 3.32Å; S78-C81 PolarHBondContact O-N 3.36Å; S78-F82 WeakPolarHBondContact O-CB 3.24Å; S78-F82 PolarHBondContact O-N 3.01Å |
| 79 | V | 94.7 | Very high | 92.2 | Very high | 61 Ų | 61 | 39 Ų | 39 | 37% | 0.37 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 173.4 | 175 | 0 | 0 | 0 | 0 | 110.9 | V75 T76 F82 S83 | V75-V79 WeakPolarHBondContact O-CG2 3.32Å; V75-V79 PolarHBondContact O-N 3.45Å; T76-V79 PolarHBondContact O-N 2.87Å; V79-F82 PolarHBondContact O-N 3.37Å; V79-S83 VanDerWaalsContact O-CB 3.31Å; V79-S83 WeakPolarHBondContact O-CB 3.47Å; V79-S83 PolarHBondContact O-N 2.97Å; V79-S83 PolarHBondContact O-OG 3.28Å |
| 80 | N | 94.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.032 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.6 | -52.2 | 174.1 | -177 | 39.7 | 0 | 0 | 0 | 111.4 | S43 S46 T76 L77 S78 F82 S83 T84 S132 | S43-N80 WeakPolarHBondContact CA-OD1 3.45Å; S43-N80 WeakPolarHBondContact CB-OD1 3.41Å; S43-N80 PolarHBondContact O-OD1 3.38Å; S43-N80 PolarHBondContact OG-OD1 2.93Å; S46-N80 WeakPolarHBondContact OG-CA 3.28Å; S46-N80 VanDerWaalsContact OG-CB 3.23Å; S46-N80 WeakPolarHBondContact OG-CB 3.26Å; S46-N80 PolarHBondContact OG-N 3.46Å; T76-N80 PolarHBondContact O-N 2.92Å; L77-N80 WeakPolarHBondContact O-CB 3.49Å; L77-N80 PolarHBondContact O-N 2.9Å; S78-N80 VanDerWaalsContact C-N 3.32Å; N80-F82 PolarHBondContact O-N 3.21Å; N80-S83 PolarHBondContact O-N 2.9Å; N80-T84 VanDerWaalsContact O-CB 3.31Å; N80-T84 WeakPolarHBondContact O-CB 3.28Å; N80-T84 PolarHBondContact O-N 3.35Å; N80-T84 PolarHBondContact O-OG1 3.37Å; N80-T84 PolarHBondContact OD1-OG1 3.32Å; N80-S132 PolarHBondContact ND2-OG 2.71Å |
| 81 | C | 94.3 | Very high | 92.6 | Very high | 16 Ų | 16 | 41 Ų | 41 | 11% | 0.108 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -47.1 | 179.8 | -70.9 | 0 | 0 | 0 | 0 | 111.4 | L77 S78 T84 L85 L129 S132 | L77-C81 WeakPolarHBondContact O-CB 3.11Å; L77-C81 PolarHBondContact O-N 2.91Å; L77-C81 PolarHBondContact O-SG 2.73Å; S78-C81 PolarHBondContact O-N 3.36Å; C81-T84 PolarHBondContact O-N 3Å; C81-L85 VanDerWaalsContact O-CB 3.26Å; C81-L85 WeakPolarHBondContact O-CB 3.37Å; C81-L85 PolarHBondContact O-N 3.09Å; C81-L129 HydrophobicContact CB-CD1 3.76Å; C81-L129 WeakPolarHBondContact O-CD1 3.38Å; C81-S132 WeakPolarHBondContact SG-CB 3.4Å |
| 82 | F | 95.5 | Very high | 92.6 | Very high | 131 Ų | 131 | 38.3 Ų | 38.3 | 58% | 0.575 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -60.5 | -49.5 | 178.5 | 179.9 | -99.6 | 0 | 0 | 0 | 111.6 | S78 V79 N80 T84 L85 V86 | S78-F82 WeakPolarHBondContact O-CB 3.24Å; S78-F82 PolarHBondContact O-N 3.01Å; V79-F82 PolarHBondContact O-N 3.37Å; N80-F82 PolarHBondContact O-N 3.21Å; F82-T84 PolarHBondContact O-N 3.26Å; F82-L85 PolarHBondContact O-N 3.02Å; F82-V86 HydrophobicContact CD1-CG2 4.42Å; F82-V86 HydrophobicContact CE1-CG2 4.02Å; F82-V86 HydrophobicContact CE2-CG2 4.28Å; F82-V86 HydrophobicContact CZ-CG2 3.94Å; F82-V86 WeakPolarHBondContact O-CG2 3.43Å; F82-V86 PolarHBondContact O-N 3.35Å |
| 83 | S | 94.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.5 | -38.2 | -178 | -52.7 | 0 | 0 | 0 | 0 | 112 | F39 V79 N80 S87 | F39-S83 WeakPolarHBondContact O-CB 3.36Å; V79-S83 VanDerWaalsContact O-CB 3.31Å; V79-S83 WeakPolarHBondContact O-CB 3.47Å; V79-S83 PolarHBondContact O-N 2.97Å; V79-S83 PolarHBondContact O-OG 3.28Å; N80-S83 PolarHBondContact O-N 2.9Å; S83-S87 WeakPolarHBondContact O-CB 3.33Å; S83-S87 PolarHBondContact O-N 3.39Å; S83-S87 PolarHBondContact O-OG 3Å |
| 84 | T | 93.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.9 | -42.9 | 175.5 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | S43 N80 C81 F82 S87 L88 L129 | S43-T84 WeakPolarHBondContact CB-OG1 3.48Å; S43-T84 PolarHBondContact OG-OG1 3.36Å; N80-T84 VanDerWaalsContact O-CB 3.31Å; N80-T84 WeakPolarHBondContact O-CB 3.28Å; N80-T84 PolarHBondContact O-N 3.35Å; N80-T84 PolarHBondContact O-OG1 3.37Å; N80-T84 PolarHBondContact OD1-OG1 3.32Å; C81-T84 PolarHBondContact O-N 3Å; F82-T84 PolarHBondContact O-N 3.26Å; T84-S87 WeakPolarHBondContact O-CB 3.36Å; T84-S87 PolarHBondContact O-N 3.45Å; T84-L88 HydrophobicContact CG2-CD1 4.16Å; T84-L88 HydrophobicContact CG2-CG 4.48Å; T84-L88 WeakPolarHBondContact O-CG 3.35Å; T84-L88 PolarHBondContact O-N 3.35Å; T84-L129 HydrophobicContact CG2-CB 4.13Å; T84-L129 HydrophobicContact CG2-CD1 4.45Å |
| 85 | L | 94.8 | Very high | 91.7 | Very high | 82 Ų | 82 | 38.5 Ų | 38.5 | 43% | 0.429 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 177.6 | -179 | 66.4 | 0 | 0 | 0 | 111.3 | C81 F82 S87 L88 I89 L129 | C81-L85 VanDerWaalsContact O-CB 3.26Å; C81-L85 WeakPolarHBondContact O-CB 3.37Å; C81-L85 PolarHBondContact O-N 3.09Å; F82-L85 PolarHBondContact O-N 3.02Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 3.36Å; L85-L88 PolarHBondContact O-N 3.39Å; L85-I89 HydrophobicContact CD1-CD1 4.2Å; L85-I89 HydrophobicContact CG-CD1 4.01Å; L85-I89 WeakPolarHBondContact O-CG1 3.4Å; L85-I89 PolarHBondContact O-N 3.45Å; L85-L129 HydrophobicContact CB-CD2 4.18Å; L85-L129 HydrophobicContact CD1-CD2 4.01Å |
| 86 | V | 94.7 | Very high | 91.2 | Very high | 32 Ų | 32 | 37.7 Ų | 37.7 | 19% | 0.194 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | F39 F82 L88 I89 T90 | F39-V86 HydrophobicContact CD1-CB 4.15Å; F39-V86 HydrophobicContact CD1-CG1 3.98Å; F39-V86 HydrophobicContact CD2-CB 4.44Å; F39-V86 HydrophobicContact CD2-CG1 3.55Å; F39-V86 HydrophobicContact CE1-CB 4.37Å; F39-V86 HydrophobicContact CE1-CG1 3.95Å; F39-V86 HydrophobicContact CE2-CG1 3.55Å; F39-V86 HydrophobicContact CG-CB 4.21Å; F39-V86 HydrophobicContact CG-CG1 3.8Å; F39-V86 HydrophobicContact CZ-CG1 3.76Å; F82-V86 HydrophobicContact CD1-CG2 4.42Å; F82-V86 HydrophobicContact CE1-CG2 4.02Å; F82-V86 HydrophobicContact CE2-CG2 4.28Å; F82-V86 HydrophobicContact CZ-CG2 3.94Å; F82-V86 WeakPolarHBondContact O-CG2 3.43Å; F82-V86 PolarHBondContact O-N 3.35Å; V86-L88 PolarHBondContact O-N 3.06Å; V86-I89 PolarHBondContact O-N 3.27Å; V86-T90 WeakPolarHBondContact O-CB 3.43Å; V86-T90 PolarHBondContact O-N 2.97Å; V86-T90 PolarHBondContact O-OG1 2.91Å |
| 87 | S | 92.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 177.5 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | C36 F39 F40 S83 T84 L85 T90 M91 | C36-S87 PolarHBondContact SG-O 3.48Å; F39-S87 VanDerWaalsContact C-OG 3.28Å; F39-S87 WeakPolarHBondContact CB-OG 3.31Å; F40-S87 PolarHBondContact N-OG 2.95Å; F40-S87 VanDerWaalsContact N-OG 3.1Å; S83-S87 WeakPolarHBondContact O-CB 3.33Å; S83-S87 PolarHBondContact O-N 3.39Å; S83-S87 PolarHBondContact O-OG 3Å; T84-S87 WeakPolarHBondContact O-CB 3.36Å; T84-S87 PolarHBondContact O-N 3.45Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 3.36Å; S87-T90 PolarHBondContact O-N 3.01Å; S87-M91 VanDerWaalsContact O-CB 3.28Å; S87-M91 WeakPolarHBondContact O-CB 3.46Å; S87-M91 PolarHBondContact O-N 3.21Å |
| 88 | L | 92.2 | Very high | 89.7 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 177.5 | -73.1 | 169 | 0 | 0 | 0 | 111.2 | T84 L85 V86 M91 G92 Y122 A125 A126 L129 | T84-L88 HydrophobicContact CG2-CD1 4.16Å; T84-L88 HydrophobicContact CG2-CG 4.48Å; T84-L88 WeakPolarHBondContact O-CG 3.35Å; T84-L88 PolarHBondContact O-N 3.35Å; L85-L88 PolarHBondContact O-N 3.39Å; V86-L88 PolarHBondContact O-N 3.06Å; L88-M91 PolarHBondContact O-N 3.1Å; L88-G92 PolarHBondContact O-N 3.31Å; L88-Y122 HydrophobicContact CB-CE2 4.11Å; L88-Y122 HydrophobicContact CD2-CD1 4.4Å; L88-Y122 HydrophobicContact CD2-CD2 3.61Å; L88-Y122 HydrophobicContact CD2-CE1 4.28Å; L88-Y122 HydrophobicContact CD2-CE2 3.48Å; L88-Y122 VanDerWaalsContact CD2-CE2 3.48Å; L88-Y122 HydrophobicContact CD2-CG 4.09Å; L88-Y122 HydrophobicContact CG-CE2 4.42Å; L88-Y122 WeakPolarHBondContact O-CE2 3.35Å; L88-A125 HydrophobicContact CD2-CB 3.93Å; L88-A126 HydrophobicContact CD1-CB 4.15Å; L88-A126 HydrophobicContact CD2-CB 4.36Å; L88-L129 HydrophobicContact CD1-CD2 3.92Å |
| 89 | I | 92.7 | Very high | 88.8 | Confident | 94 Ų | 94 | 41.3 Ų | 41.3 | 48% | 0.482 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63 | -48.1 | 177.9 | -66.4 | 167.4 | 0 | 0 | 0 | 110.4 | L85 V86 M91 G92 V93 | L85-I89 HydrophobicContact CD1-CD1 4.2Å; L85-I89 HydrophobicContact CG-CD1 4.01Å; L85-I89 WeakPolarHBondContact O-CG1 3.4Å; L85-I89 PolarHBondContact O-N 3.45Å; V86-I89 PolarHBondContact O-N 3.27Å; I89-M91 PolarHBondContact O-N 3.47Å; I89-G92 PolarHBondContact O-N 3.34Å; I89-V93 HydrophobicContact CG2-CG2 4.25Å; I89-V93 WeakPolarHBondContact O-CB 3.33Å; I89-V93 WeakPolarHBondContact O-CG2 3.28Å; I89-V93 PolarHBondContact O-N 2.71Å |
| 90 | T | 90.8 | Very high | 87.9 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 20% | 0.202 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | -179.2 | -50.8 | 0 | 0 | 0 | 0 | 111.6 | W32 A35 C36 V86 S87 G94 | W32-T90 HydrophobicContact CB-CG2 4.06Å; W32-T90 VanDerWaalsContact O-CG2 3.31Å; W32-T90 WeakPolarHBondContact O-CG2 3.4Å; A35-T90 HydrophobicContact CB-CG2 4.34Å; C36-T90 HydrophobicContact CB-CG2 4.49Å; V86-T90 WeakPolarHBondContact O-CB 3.43Å; V86-T90 PolarHBondContact O-N 2.97Å; V86-T90 PolarHBondContact O-OG1 2.91Å; S87-T90 PolarHBondContact O-N 3.01Å; T90-G94 WeakPolarHBondContact O-CA 3.47Å; T90-G94 PolarHBondContact O-N 3.24Å |
| 91 | M | 88.3 | Confident | 86.8 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 20% | 0.197 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 175 | -169.6 | 80.3 | -170.2 | 0 | 0 | 111.4 | W32 S87 L88 I89 G94 I95 Y122 | W32-M91 HydrophobicContact CH2-CE 4.37Å; W32-M91 HydrophobicContact CH2-SD 4.37Å; W32-M91 HydrophobicContact CZ3-CE 4.25Å; W32-M91 HydrophobicContact CZ3-SD 3.67Å; S87-M91 VanDerWaalsContact O-CB 3.28Å; S87-M91 WeakPolarHBondContact O-CB 3.46Å; S87-M91 PolarHBondContact O-N 3.21Å; L88-M91 PolarHBondContact O-N 3.1Å; I89-M91 PolarHBondContact O-N 3.47Å; M91-G94 PolarHBondContact O-N 3.28Å; M91-I95 HydrophobicContact CE-CD1 3.75Å; M91-I95 HydrophobicContact CE-CG1 4.17Å; M91-I95 HydrophobicContact CG-CD1 3.92Å; M91-I95 VanDerWaalsContact O-CG1 3.31Å; M91-I95 WeakPolarHBondContact O-CG1 3.33Å; M91-I95 PolarHBondContact O-N 3.47Å; M91-Y122 HydrophobicContact CB-CD2 4.25Å; M91-Y122 HydrophobicContact CB-CE2 4.28Å; M91-Y122 HydrophobicContact CG-CD2 4.09Å |
| 92 | G | 87.1 | Confident | 85.5 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -47.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L88 I89 D96 | L88-G92 PolarHBondContact O-N 3.31Å; I89-G92 PolarHBondContact O-N 3.34Å; G92-D96 WeakPolarHBondContact O-CB 3.38Å; G92-D96 PolarHBondContact O-N 3.45Å |
| 93 | V | 87.8 | Confident | 84.2 | Confident | 83 Ų | 83 | 50.8 Ų | 50.8 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | I89 D96 T97 | I89-V93 HydrophobicContact CG2-CG2 4.25Å; I89-V93 WeakPolarHBondContact O-CB 3.33Å; I89-V93 WeakPolarHBondContact O-CG2 3.28Å; I89-V93 PolarHBondContact O-N 2.71Å; V93-D96 PolarHBondContact O-N 3.19Å; V93-T97 WeakPolarHBondContact O-CB 3.42Å; V93-T97 PolarHBondContact O-N 3.21Å; V93-T97 PolarHBondContact O-OG1 2.85Å |
| 94 | G | 84.7 | Confident | 82.9 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58 | -54.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T90 M91 D96 T97 E98 | T90-G94 WeakPolarHBondContact O-CA 3.47Å; T90-G94 PolarHBondContact O-N 3.24Å; M91-G94 PolarHBondContact O-N 3.28Å; G94-D96 PolarHBondContact O-N 2.92Å; G94-T97 WeakPolarHBondContact O-CB 3.47Å; G94-T97 PolarHBondContact O-N 3.25Å; G94-E98 WeakPolarHBondContact O-CG 3.47Å; G94-E98 PolarHBondContact O-N 2.94Å |
| 95 | I | 80.5 | Confident | 81.4 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 177.9 | -66.6 | 168.2 | 0 | 0 | 0 | 111.3 | M91 T97 E98 Q99 L118 | M91-I95 HydrophobicContact CE-CD1 3.75Å; M91-I95 HydrophobicContact CE-CG1 4.17Å; M91-I95 HydrophobicContact CG-CD1 3.92Å; M91-I95 VanDerWaalsContact O-CG1 3.31Å; M91-I95 WeakPolarHBondContact O-CG1 3.33Å; M91-I95 PolarHBondContact O-N 3.47Å; I95-T97 VanDerWaalsContact C-N 3.27Å; I95-T97 PolarHBondContact O-N 3.18Å; I95-E98 PolarHBondContact O-N 3.22Å; I95-Q99 WeakPolarHBondContact O-CB 3.33Å; I95-Q99 PolarHBondContact O-N 3.41Å; I95-L118 HydrophobicContact CD1-CD2 3.73Å; I95-L118 HydrophobicContact CD1-CG 4.38Å |
| 96 | D | 82.4 | Confident | 79.6 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 178.5 | 178 | 59.3 | 0 | 0 | 0 | 111.7 | G92 V93 G94 Q99 K100 | G92-D96 WeakPolarHBondContact O-CB 3.38Å; G92-D96 PolarHBondContact O-N 3.45Å; V93-D96 PolarHBondContact O-N 3.19Å; G94-D96 PolarHBondContact O-N 2.92Å; D96-Q99 PolarHBondContact O-N 3.18Å; D96-K100 VanDerWaalsContact O-CG 3.29Å; D96-K100 WeakPolarHBondContact O-CG 3.31Å; D96-K100 PolarHBondContact O-N 3.45Å; D96-K100 WeakPolarHBondContact OD1-CE 3.38Å; D96-K100 IonicContact OD1-NZ 2.87Å; D96-K100 WeakPolarHBondContact OD2-CE 3.09Å; D96-K100 IonicContact OD2-NZ 3.5Å; D96-K100 PolarHBondContact OD2-NZ 3.4Å |
| 97 | T | 80.5 | Confident | 77.6 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 37% | 0.368 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 175.7 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | V93 G94 I95 Q99 K100 I101 | V93-T97 WeakPolarHBondContact O-CB 3.42Å; V93-T97 PolarHBondContact O-N 3.21Å; V93-T97 PolarHBondContact O-OG1 2.85Å; G94-T97 WeakPolarHBondContact O-CB 3.47Å; G94-T97 PolarHBondContact O-N 3.25Å; I95-T97 VanDerWaalsContact C-N 3.27Å; I95-T97 PolarHBondContact O-N 3.18Å; T97-Q99 VanDerWaalsContact C-N 3.34Å; T97-Q99 PolarHBondContact O-N 2.69Å; T97-K100 PolarHBondContact O-N 3.2Å; T97-I101 HydrophobicContact CG2-CD1 4.08Å; T97-I101 WeakPolarHBondContact O-CG1 3.4Å; T97-I101 PolarHBondContact O-N 2.89Å |
| 98 | E | 74.8 | Confident | 75.6 | Confident | 40 Ų | 40 | 69.7 Ų | 69.7 | 19% | 0.187 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 174.4 | -64.3 | -50.4 | 151.9 | 0 | 0 | 111.4 | R30 W32 G94 I95 K100 I101 E102 | R30-E98 WeakPolarHBondContact CD-OE1 3.41Å; R30-E98 IonicContact CZ-OE1 3.46Å; R30-E98 IonicContact CZ-OE2 3.36Å; R30-E98 IonicContact NE-OE1 3.73Å; R30-E98 PolarHBondContact NE-OE1 3.31Å; R30-E98 IonicContact NH1-OE1 2.64Å; R30-E98 PolarHBondContact NH1-OE1 3.32Å; R30-E98 IonicContact NH1-OE2 2.64Å; R30-E98 PolarHBondContact NH1-OE2 2.93Å; W32-E98 HydrophobicContact CZ2-CG 4.08Å; W32-E98 PolarHBondContact NE1-OE1 3.34Å; G94-E98 WeakPolarHBondContact O-CG 3.47Å; G94-E98 PolarHBondContact O-N 2.94Å; I95-E98 PolarHBondContact O-N 3.22Å; E98-K100 PolarHBondContact O-N 2.8Å; E98-I101 PolarHBondContact O-N 3.3Å; E98-I101 VanDerWaalsContact O-N 3.11Å; E98-E102 WeakPolarHBondContact O-CB 2.88Å; E98-E102 PolarHBondContact O-N 3.28Å |
| 99 | Q | 74.2 | Confident | 73.7 | Confident | 60 Ų | 60 | 76.1 Ų | 76.1 | 28% | 0.28 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.7 | -35.1 | -178.2 | -161.2 | -179.3 | 13.8 | 0 | 0 | 111.6 | I95 D96 T97 R103 | I95-Q99 WeakPolarHBondContact O-CB 3.33Å; I95-Q99 PolarHBondContact O-N 3.41Å; D96-Q99 PolarHBondContact O-N 3.18Å; T97-Q99 VanDerWaalsContact C-N 3.34Å; T97-Q99 PolarHBondContact O-N 2.69Å; Q99-R103 WeakPolarHBondContact O-CG 3.13Å; Q99-R103 PolarHBondContact O-N 2.9Å |
| 100 | K | 75.7 | Confident | 71.6 | Confident | 125 Ų | 125 | 73.3 Ų | 73.3 | 54% | 0.543 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 173.9 | -74.9 | 167.2 | 178.5 | 167.6 | 0 | 112.3 | D96 T97 E98 A104 | D96-K100 VanDerWaalsContact O-CG 3.29Å; D96-K100 WeakPolarHBondContact O-CG 3.31Å; D96-K100 PolarHBondContact O-N 3.45Å; D96-K100 WeakPolarHBondContact OD1-CE 3.38Å; D96-K100 IonicContact OD1-NZ 2.87Å; D96-K100 WeakPolarHBondContact OD2-CE 3.09Å; D96-K100 IonicContact OD2-NZ 3.5Å; D96-K100 PolarHBondContact OD2-NZ 3.4Å; T97-K100 PolarHBondContact O-N 3.2Å; E98-K100 PolarHBondContact O-N 2.8Å; K100-A104 PolarHBondContact O-N 3.46Å |
| 101 | I | 71.7 | Confident | 69.4 | Low | 75 Ų | 75 | 78.9 Ų | 78.9 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 177.7 | -67.8 | 165.5 | 0 | 0 | 0 | 110.5 | R30 T97 E98 A104 A105 | R30-I101 VanDerWaalsContact NH1-CD1 3.34Å; T97-I101 HydrophobicContact CG2-CD1 4.08Å; T97-I101 WeakPolarHBondContact O-CG1 3.4Å; T97-I101 PolarHBondContact O-N 2.89Å; E98-I101 PolarHBondContact O-N 3.3Å; E98-I101 VanDerWaalsContact O-N 3.11Å; I101-A104 WeakPolarHBondContact O-CB 3.13Å; I101-A104 PolarHBondContact O-N 3.42Å; I101-A104 VanDerWaalsContact O-N 3.15Å; I101-A105 WeakPolarHBondContact O-CB 3.48Å; I101-A105 PolarHBondContact O-N 2.87Å |
| 102 | E | 67 | Low | 67.5 | Low | 34 Ų | 34 | 83.1 Ų | 83.1 | 16% | 0.159 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 179.2 | -175.6 | -177.9 | 170.1 | 0 | 0 | 111.9 | E98 A104 A105 L110 | E98-E102 WeakPolarHBondContact O-CB 2.88Å; E98-E102 PolarHBondContact O-N 3.28Å; E102-A104 PolarHBondContact O-N 3.46Å; E102-A105 PolarHBondContact O-N 2.84Å; E102-A105 VanDerWaalsContact O-N 3.09Å; E102-L110 HydrophobicContact CG-CB 3.99Å; E102-L110 HydrophobicContact CG-CD2 3.89Å; E102-L110 HydrophobicContact CG-CG 4.45Å |
| 103 | R | 67.7 | Low | 65.8 | Low | 180 Ų | 180 | 86.5 Ų | 86.5 | 68% | 0.679 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.4 | -34.1 | 175.5 | -72.7 | 179.8 | -164.4 | 173.4 | 8.9 | 112.3 | Q99 | Q99-R103 WeakPolarHBondContact O-CG 3.13Å; Q99-R103 PolarHBondContact O-N 2.9Å |
| 104 | A | 66.6 | Low | 63.8 | Low | 83 Ų | 83 | 85.3 Ų | 85.3 | 69% | 0.686 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -73.6 | -31.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K100 I101 E102 | K100-A104 PolarHBondContact O-N 3.46Å; I101-A104 WeakPolarHBondContact O-CB 3.13Å; I101-A104 PolarHBondContact O-N 3.42Å; I101-A104 VanDerWaalsContact O-N 3.15Å; E102-A104 PolarHBondContact O-N 3.46Å |
| 105 | A | 62.3 | Low | 62.1 | Low | 39 Ų | 39 | 93.4 Ų | 93.4 | 32% | 0.322 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -79.7 | -14.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I101 E102 H107 | I101-A105 WeakPolarHBondContact O-CB 3.48Å; I101-A105 PolarHBondContact O-N 2.87Å; E102-A105 PolarHBondContact O-N 2.84Å; E102-A105 VanDerWaalsContact O-N 3.09Å; A105-H107 PolarHBondContact O-N 2.97Å |
| 106 | K | 57.2 | Low | 60.8 | Low | 197 Ų | 197 | 95.3 Ų | 95.3 | 86% | 0.857 | 49% | 0.49 | S | S | * | . | trans | 45 | 32 | -180 | -78.8 | -170.4 | 177.4 | -177.4 | 0 | 114.5 | S108 | K106-S108 PolarHBondContact O-N 3.22Š| ||
| 107 | H | 51.7 | Low | 59.6 | Low | 106 Ų | 106 | 96.6 Ų | 96.6 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | trans | -87.4 | 110.5 | 179 | -77.1 | -34.6 | 0 | 0 | 0 | 109.9 | A105 W109 L110 | A105-H107 PolarHBondContact O-N 2.97Å; H107-W109 AromaticContact CG-NE1 3.92Å; H107-W109 PolarHBondContact O-N 2.87Å; H107-L110 HydrophobicContact CB-CD1 3.99Å; H107-L110 WeakPolarHBondContact O-CB 3.48Å; H107-L110 PolarHBondContact O-N 3.39Å | ||
| 108 | S | 52 | Low | 58.8 | Low | 94 Ų | 94 | 97.8 Ų | 97.8 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -14 | -177.4 | 54.2 | 0 | 0 | 0 | 0 | 115.3 | K106 | K106-S108 PolarHBondContact O-N 3.22Š|
| 109 | W | 51.1 | Low | 58.8 | Low | 150 Ų | 150 | 98.4 Ų | 98.4 | 57% | 0.568 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -15.7 | 173.4 | 71.1 | -88.8 | 0 | 0 | 0 | 113.1 | H107 | H107-W109 AromaticContact CG-NE1 3.92Å; H107-W109 PolarHBondContact O-N 2.87Å |
| 110 | L | 48.5 | Very low | 59 | Low | 35 Ų | 35 | 106.8 Ų | 106.8 | 18% | 0.183 | 55% | 0.546 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -17 | 172 | -93 | 135.4 | 0 | 0 | 0 | 112.2 | E102 H107 D112 L113 | E102-L110 HydrophobicContact CG-CB 3.99Å; E102-L110 HydrophobicContact CG-CD2 3.89Å; E102-L110 HydrophobicContact CG-CG 4.45Å; H107-L110 HydrophobicContact CB-CD1 3.99Å; H107-L110 WeakPolarHBondContact O-CB 3.48Å; H107-L110 PolarHBondContact O-N 3.39Å; L110-D112 PolarHBondContact O-N 3.31Å; L110-L113 HydrophobicContact CD2-CB 4.33Å; L110-L113 HydrophobicContact CD2-CD1 3.55Å; L110-L113 HydrophobicContact CG-CD1 4.09Å; L110-L113 WeakPolarHBondContact O-CA 3.32Å; L110-L113 VanDerWaalsContact O-CB 3.29Å; L110-L113 WeakPolarHBondContact O-CB 3.44Å; L110-L113 PolarHBondContact O-N 2.92Å |
| 111 | E | 46.4 | Very low | 59.4 | Low | 151 Ų | 151 | 105 Ų | 105 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -54.6 | -30.5 | 177.4 | -106.7 | 173 | 158.4 | 0 | 0 | 113.4 | L113 G114 | E111-L113 VanDerWaalsContact C-N 3.34Å; E111-G114 PolarHBondContact O-N 2.98Å; E111-G114 VanDerWaalsContact O-N 3.16Å |
| 112 | D | 48.2 | Very low | 60.1 | Low | 128 Ų | 128 | 104.4 Ų | 104.4 | 68% | 0.684 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -74.4 | -19 | 174.4 | -80.9 | -25.1 | 0 | 0 | 0 | 113.7 | L110 G114 | L110-D112 PolarHBondContact O-N 3.31Å; D112-G114 PolarHBondContact O-N 3.49Å |
| 113 | L | 50.2 | Low | 61.1 | Low | 92 Ų | 92 | 104.3 Ų | 104.3 | 48% | 0.482 | 55% | 0.55 | S | S | . | * | G | 310 helix | trans | -79.6 | 1.1 | 168.5 | -78.7 | 154.1 | 0 | 0 | 0 | 112.4 | L110 E111 Q115 N116 | L110-L113 HydrophobicContact CD2-CB 4.33Å; L110-L113 HydrophobicContact CD2-CD1 3.55Å; L110-L113 HydrophobicContact CG-CD1 4.09Å; L110-L113 WeakPolarHBondContact O-CA 3.32Å; L110-L113 VanDerWaalsContact O-CB 3.29Å; L110-L113 WeakPolarHBondContact O-CB 3.44Å; L110-L113 PolarHBondContact O-N 2.92Å; E111-L113 VanDerWaalsContact C-N 3.34Å; L113-Q115 CarbonylContact O-C 3.47Å; L113-Q115 PolarHBondContact O-N 3.17Å; L113-N116 PolarHBondContact O-N 3.45Å |
| 114 | G | 46.5 | Very low | 62.1 | Low | 57 Ų | 57 | 101 Ų | 101 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -3.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E111 D112 N116 | E111-G114 PolarHBondContact O-N 2.98Å; E111-G114 VanDerWaalsContact O-N 3.16Å; D112-G114 PolarHBondContact O-N 3.49Å; G114-N116 VanDerWaalsContact C-N 3.26Å; G114-N116 PolarHBondContact O-N 3.37Å |
| 115 | Q | 49 | Very low | 63.2 | Low | 174 Ų | 174 | 97.5 Ų | 97.5 | 81% | 0.813 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 32.7 | 162.7 | -65 | -162.1 | -15.5 | 0 | 0 | 114.1 | L113 S117 | L113-Q115 CarbonylContact O-C 3.47Å; L113-Q115 PolarHBondContact O-N 3.17Å; Q115-S117 PolarHBondContact O-N 2.89Å |
| 116 | N | 52.9 | Low | 64.5 | Low | 56 Ų | 56 | 97.3 Ų | 97.3 | 30% | 0.299 | 52% | 0.515 | S | S | . | . | trans | -68.3 | 42.5 | 163.5 | -116.5 | -5.3 | 0 | 0 | 0 | 111.7 | L113 G114 | L113-N116 PolarHBondContact O-N 3.45Å; G114-N116 VanDerWaalsContact C-N 3.26Å; G114-N116 PolarHBondContact O-N 3.37Å | ||
| 117 | S | 57.6 | Low | 66.1 | Low | 92 Ų | 92 | 93.6 Ų | 93.6 | 64% | 0.643 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 138.5 | 165.9 | 76.6 | 0 | 0 | 0 | 0 | 107.6 | Q115 S119 | Q115-S117 PolarHBondContact O-N 2.89Å; S117-S119 PolarHBondContact O-N 3.5Å |
| 118 | L | 63.4 | Low | 67.9 | Low | 86 Ų | 86 | 91 Ų | 91 | 45% | 0.45 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -48 | 120.2 | 174.2 | -80.8 | 149.2 | 0 | 0 | 0 | 108.9 | I95 Y122 | I95-L118 HydrophobicContact CD1-CD2 3.73Å; I95-L118 HydrophobicContact CD1-CG 4.38Å; L118-Y122 HydrophobicContact CB-CD1 4.15Å; L118-Y122 HydrophobicContact CB-CG 4.33Å; L118-Y122 HydrophobicContact CD1-CD1 4.44Å; L118-Y122 HydrophobicContact CD1-CE1 4.27Å; L118-Y122 HydrophobicContact CD2-CD1 3.6Å; L118-Y122 HydrophobicContact CD2-CD2 3.52Å; L118-Y122 HydrophobicContact CD2-CE1 3.77Å; L118-Y122 HydrophobicContact CD2-CE2 3.67Å; L118-Y122 HydrophobicContact CD2-CG 3.47Å; L118-Y122 VanDerWaalsContact CD2-CG 3.47Å; L118-Y122 HydrophobicContact CG-CD1 4.28Å; L118-Y122 HydrophobicContact CG-CG 4.46Å |
| 119 | S | 74.4 | Confident | 69.7 | Low | 52 Ų | 52 | 87.6 Ų | 87.6 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 153.1 | -175.9 | 68.7 | 0 | 0 | 0 | 0 | 111.5 | S117 S121 Y122 G123 | S117-S119 PolarHBondContact O-N 3.5Å; S119-S121 PolarHBondContact O-N 3.26Å; S119-S121 VanDerWaalsContact O-N 3.1Å; S119-Y122 VanDerWaalsContact O-CB 3.25Å; S119-Y122 WeakPolarHBondContact O-CB 3.31Å; S119-Y122 PolarHBondContact O-N 3.38Å; S119-Y122 PolarHBondContact OG-N 3.47Å; S119-G123 PolarHBondContact O-N 3.12Å |
| 120 | W | 79.8 | Confident | 71.6 | Confident | 237 Ų | 237 | 86 Ų | 86 | 90% | 0.898 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -51.9 | -34.6 | 172.7 | -78.2 | 90.9 | 0 | 0 | 0 | 112.6 | Y122 G123 I124 | W120-Y122 VanDerWaalsContact C-N 3.29Å; W120-Y122 PolarHBondContact O-N 3.45Å; W120-G123 PolarHBondContact O-N 3.1Å; W120-I124 WeakPolarHBondContact O-CG1 3.31Å; W120-I124 PolarHBondContact O-N 2.99Å |
| 121 | S | 84.1 | Confident | 73.5 | Confident | 86 Ų | 86 | 87.8 Ų | 87.8 | 60% | 0.601 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.5 | -35.6 | 175.8 | -51.6 | 0 | 0 | 0 | 0 | 112.9 | S119 I124 A125 | S119-S121 PolarHBondContact O-N 3.26Å; S119-S121 VanDerWaalsContact O-N 3.1Å; S121-I124 PolarHBondContact O-N 3.05Å; S121-A125 VanDerWaalsContact O-CB 3.31Å; S121-A125 WeakPolarHBondContact O-CB 3.49Å; S121-A125 PolarHBondContact O-N 3.02Å |
| 122 | Y | 86 | Confident | 75.6 | Confident | 63 Ų | 63 | 81.1 Ų | 81.1 | 25% | 0.247 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 174.1 | -178.9 | -86.8 | 0 | 0 | 0 | 111.4 | L88 M91 L118 S119 W120 A125 A126 | L88-Y122 HydrophobicContact CB-CE2 4.11Å; L88-Y122 HydrophobicContact CD2-CD1 4.4Å; L88-Y122 HydrophobicContact CD2-CD2 3.61Å; L88-Y122 HydrophobicContact CD2-CE1 4.28Å; L88-Y122 HydrophobicContact CD2-CE2 3.48Å; L88-Y122 VanDerWaalsContact CD2-CE2 3.48Å; L88-Y122 HydrophobicContact CD2-CG 4.09Å; L88-Y122 HydrophobicContact CG-CE2 4.42Å; L88-Y122 WeakPolarHBondContact O-CE2 3.35Å; M91-Y122 HydrophobicContact CB-CD2 4.25Å; M91-Y122 HydrophobicContact CB-CE2 4.28Å; M91-Y122 HydrophobicContact CG-CD2 4.09Å; L118-Y122 HydrophobicContact CB-CD1 4.15Å; L118-Y122 HydrophobicContact CB-CG 4.33Å; L118-Y122 HydrophobicContact CD1-CD1 4.44Å; L118-Y122 HydrophobicContact CD1-CE1 4.27Å; L118-Y122 HydrophobicContact CD2-CD1 3.6Å; L118-Y122 HydrophobicContact CD2-CD2 3.52Å; L118-Y122 HydrophobicContact CD2-CE1 3.77Å; L118-Y122 HydrophobicContact CD2-CE2 3.67Å; L118-Y122 HydrophobicContact CD2-CG 3.47Å; L118-Y122 VanDerWaalsContact CD2-CG 3.47Å; L118-Y122 HydrophobicContact CG-CD1 4.28Å; L118-Y122 HydrophobicContact CG-CG 4.46Å; S119-Y122 VanDerWaalsContact O-CB 3.25Å; S119-Y122 WeakPolarHBondContact O-CB 3.31Å; S119-Y122 PolarHBondContact O-N 3.38Å; S119-Y122 PolarHBondContact OG-N 3.47Å; W120-Y122 VanDerWaalsContact C-N 3.29Å; W120-Y122 PolarHBondContact O-N 3.45Å; Y122-A125 PolarHBondContact O-N 3.01Å; Y122-A126 PolarHBondContact O-N 3.29Å |
| 123 | G | 86.5 | Confident | 77.6 | Confident | 33 Ų | 33 | 77.3 Ų | 77.3 | 34% | 0.34 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S119 W120 A125 A126 I127 | S119-G123 PolarHBondContact O-N 3.12Å; W120-G123 PolarHBondContact O-N 3.1Å; G123-A125 PolarHBondContact O-N 3.48Å; G123-A126 PolarHBondContact O-N 3.46Å; G123-I127 WeakPolarHBondContact O-CG1 3.25Å; G123-I127 PolarHBondContact O-N 3.27Å |
| 124 | I | 89.4 | Confident | 79.6 | Confident | 110 Ų | 110 | 77.5 Ų | 77.5 | 56% | 0.564 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 176.7 | -65.8 | 168.4 | 0 | 0 | 0 | 110.9 | W120 S121 A126 I127 S128 | W120-I124 WeakPolarHBondContact O-CG1 3.31Å; W120-I124 PolarHBondContact O-N 2.99Å; S121-I124 PolarHBondContact O-N 3.05Å; I124-A126 VanDerWaalsContact C-N 3.34Å; I124-A126 PolarHBondContact O-N 2.85Å; I124-I127 PolarHBondContact O-N 2.87Å; I124-S128 PolarHBondContact O-N 3.38Å |
| 125 | A | 89.1 | Confident | 81.6 | Confident | 10 Ų | 10 | 77.6 Ų | 77.6 | 8% | 0.083 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F40 L88 S121 Y122 G123 I127 S128 L129 | F40-A125 HydrophobicContact CE2-CB 4.09Å; L88-A125 HydrophobicContact CD2-CB 3.93Å; S121-A125 VanDerWaalsContact O-CB 3.31Å; S121-A125 WeakPolarHBondContact O-CB 3.49Å; S121-A125 PolarHBondContact O-N 3.02Å; Y122-A125 PolarHBondContact O-N 3.01Å; G123-A125 PolarHBondContact O-N 3.48Å; A125-I127 PolarHBondContact O-N 2.92Å; A125-S128 PolarHBondContact O-N 3.3Å; A125-S128 PolarHBondContact O-OG 2.87Å; A125-L129 PolarHBondContact O-N 2.64Å |
| 126 | A | 90.1 | Very high | 83.5 | Confident | 35 Ų | 35 | 70.6 Ų | 70.6 | 29% | 0.289 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L88 Y122 G123 I124 L129 L130 | L88-A126 HydrophobicContact CD1-CB 4.15Å; L88-A126 HydrophobicContact CD2-CB 4.36Å; Y122-A126 PolarHBondContact O-N 3.29Å; G123-A126 PolarHBondContact O-N 3.46Å; I124-A126 VanDerWaalsContact C-N 3.34Å; I124-A126 PolarHBondContact O-N 2.85Å; A126-L129 WeakPolarHBondContact O-CB 3.45Å; A126-L129 PolarHBondContact O-N 3.46Å; A126-L130 PolarHBondContact O-N 2.88Å |
| 127 | I | 91.6 | Very high | 85.3 | Confident | 118 Ų | 118 | 72.7 Ų | 72.7 | 61% | 0.605 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 175.1 | -65.7 | 166 | 0 | 0 | 0 | 110.7 | G123 I124 A125 L129 L130 S131 | G123-I127 WeakPolarHBondContact O-CG1 3.25Å; G123-I127 PolarHBondContact O-N 3.27Å; I124-I127 PolarHBondContact O-N 2.87Å; A125-I127 PolarHBondContact O-N 2.92Å; I127-L129 VanDerWaalsContact C-N 3.26Å; I127-L129 PolarHBondContact O-N 2.95Å; I127-L130 WeakPolarHBondContact O-CB 3.35Å; I127-L130 PolarHBondContact O-N 3.06Å; I127-S131 PolarHBondContact O-N 3.36Å |
| 128 | S | 89.5 | Confident | 86.8 | Confident | 52 Ų | 52 | 72.2 Ų | 72.2 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.6 | -33.6 | 178.4 | 81.5 | 0 | 0 | 0 | 0 | 112.8 | I124 A125 S131 S132 | I124-S128 PolarHBondContact O-N 3.38Å; A125-S128 PolarHBondContact O-N 3.3Å; A125-S128 PolarHBondContact O-OG 2.87Å; S128-S131 PolarHBondContact O-N 2.91Å; S128-S132 PolarHBondContact O-N 3.47Å; S128-S132 VanDerWaalsContact O-N 3.1Å; S128-S132 PolarHBondContact O-OG 3.35Å |
| 129 | L | 89.8 | Confident | 87.9 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 12% | 0.115 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 175.5 | 177.2 | 62.6 | 0 | 0 | 0 | 111.2 | C81 T84 L85 L88 A125 A126 I127 S131 S132 C133 | C81-L129 HydrophobicContact CB-CD1 3.76Å; C81-L129 WeakPolarHBondContact O-CD1 3.38Å; T84-L129 HydrophobicContact CG2-CB 4.13Å; T84-L129 HydrophobicContact CG2-CD1 4.45Å; L85-L129 HydrophobicContact CB-CD2 4.18Å; L85-L129 HydrophobicContact CD1-CD2 4.01Å; L88-L129 HydrophobicContact CD1-CD2 3.92Å; A125-L129 PolarHBondContact O-N 2.64Å; A126-L129 WeakPolarHBondContact O-CB 3.45Å; A126-L129 PolarHBondContact O-N 3.46Å; I127-L129 VanDerWaalsContact C-N 3.26Å; I127-L129 PolarHBondContact O-N 2.95Å; L129-S131 VanDerWaalsContact C-N 3.35Å; L129-S131 PolarHBondContact O-N 3.22Å; L129-S132 PolarHBondContact O-N 3.21Å; L129-C133 WeakPolarHBondContact O-CB 3.41Å; L129-C133 PolarHBondContact O-N 3.45Å; L129-C133 PolarHBondContact O-SG 2.78Å; L129-C133 VanDerWaalsContact O-SG 3.35Å |
| 130 | L | 90.8 | Very high | 88.3 | Confident | 116 Ų | 116 | 68.4 Ų | 68.4 | 61% | 0.607 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.5 | -46.5 | 178.7 | -70.1 | 172.4 | 0 | 0 | 0 | 111.6 | A126 I127 S132 C133 I134 | A126-L130 PolarHBondContact O-N 2.88Å; I127-L130 WeakPolarHBondContact O-CB 3.35Å; I127-L130 PolarHBondContact O-N 3.06Å; L130-S132 PolarHBondContact O-N 2.72Å; L130-C133 PolarHBondContact O-N 2.87Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.34Å; L130-I134 PolarHBondContact O-N 2.97Å |
| 131 | S | 89.2 | Confident | 88.5 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.1 | -49 | 176.7 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | I127 S128 L129 C133 I134 T135 | I127-S131 PolarHBondContact O-N 3.36Å; S128-S131 PolarHBondContact O-N 2.91Å; L129-S131 VanDerWaalsContact C-N 3.35Å; L129-S131 PolarHBondContact O-N 3.22Å; S131-C133 PolarHBondContact O-N 3.03Å; S131-I134 PolarHBondContact O-N 2.73Å; S131-T135 PolarHBondContact O-N 3.46Å; S131-T135 PolarHBondContact O-OG1 3.11Å; S131-T135 VanDerWaalsContact O-OG1 3.1Å |
| 132 | S | 89.2 | Confident | 88.2 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 7% | 0.07 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 179.9 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | N80 C81 S128 L129 L130 T135 V136 | N80-S132 PolarHBondContact ND2-OG 2.71Å; C81-S132 WeakPolarHBondContact SG-CB 3.4Å; S128-S132 PolarHBondContact O-N 3.47Å; S128-S132 VanDerWaalsContact O-N 3.1Å; S128-S132 PolarHBondContact O-OG 3.35Å; L129-S132 PolarHBondContact O-N 3.21Å; L130-S132 PolarHBondContact O-N 2.72Å; S132-T135 PolarHBondContact O-N 2.94Å; S132-V136 WeakPolarHBondContact O-CG2 3.45Å; S132-V136 PolarHBondContact O-N 3.33Å |
| 133 | C | 89.8 | Confident | 87.7 | Confident | 48 Ų | 48 | 70.1 Ų | 70.1 | 32% | 0.324 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 176.1 | -74.5 | 0 | 0 | 0 | 0 | 112.1 | L129 L130 S131 T135 V136 I137 | L129-C133 WeakPolarHBondContact O-CB 3.41Å; L129-C133 PolarHBondContact O-N 3.45Å; L129-C133 PolarHBondContact O-SG 2.78Å; L129-C133 VanDerWaalsContact O-SG 3.35Å; L130-C133 PolarHBondContact O-N 2.87Å; S131-C133 PolarHBondContact O-N 3.03Å; C133-T135 VanDerWaalsContact C-N 3.32Å; C133-T135 PolarHBondContact O-N 3.45Å; C133-V136 PolarHBondContact O-N 3.49Å; C133-I137 VanDerWaalsContact O-CG1 3.28Å; C133-I137 WeakPolarHBondContact O-CG1 3.29Å; C133-I137 PolarHBondContact O-N 2.86Å |
| 134 | I | 92.2 | Very high | 86.8 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 177.4 | -68.8 | 165.3 | 0 | 0 | 0 | 110.1 | L130 S131 V136 I137 I138 | L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.34Å; L130-I134 PolarHBondContact O-N 2.97Å; S131-I134 PolarHBondContact O-N 2.73Å; I134-V136 PolarHBondContact O-N 3.02Å; I134-I137 PolarHBondContact O-N 3.29Å; I134-I138 HydrophobicContact CG2-CD1 3.68Å; I134-I138 HydrophobicContact CG2-CG1 4.32Å; I134-I138 VanDerWaalsContact O-CG1 3.32Å; I134-I138 WeakPolarHBondContact O-CG1 3.37Å; I134-I138 PolarHBondContact O-N 3.17Å |
| 135 | T | 89.4 | Confident | 85.2 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 36% | 0.356 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 176.9 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | L77 S131 S132 C133 I137 I138 L139 | L77-T135 HydrophobicContact CD1-CG2 3.74Å; S131-T135 PolarHBondContact O-N 3.46Å; S131-T135 PolarHBondContact O-OG1 3.11Å; S131-T135 VanDerWaalsContact O-OG1 3.1Å; S132-T135 PolarHBondContact O-N 2.94Å; C133-T135 VanDerWaalsContact C-N 3.32Å; C133-T135 PolarHBondContact O-N 3.45Å; T135-I137 PolarHBondContact O-N 2.98Å; T135-I138 PolarHBondContact O-N 3.15Å; T135-L139 HydrophobicContact CG2-CD1 4Å; T135-L139 HydrophobicContact CG2-CG 4.4Å; T135-L139 WeakPolarHBondContact O-CB 3.32Å; T135-L139 VanDerWaalsContact O-CG 3.32Å; T135-L139 WeakPolarHBondContact O-CG 3.4Å; T135-L139 PolarHBondContact O-N 3.06Å |
| 136 | V | 89.2 | Confident | 83.6 | Confident | 28 Ų | 28 | 78.6 Ų | 78.6 | 17% | 0.17 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 177.5 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | L77 S132 C133 I134 I138 L139 G140 | L77-V136 HydrophobicContact CB-CG2 3.4Å; L77-V136 HydrophobicContact CD1-CG2 4.23Å; L77-V136 HydrophobicContact CG-CG2 4.47Å; S132-V136 WeakPolarHBondContact O-CG2 3.45Å; S132-V136 PolarHBondContact O-N 3.33Å; C133-V136 PolarHBondContact O-N 3.49Å; I134-V136 PolarHBondContact O-N 3.02Å; V136-I138 PolarHBondContact O-N 3.42Å; V136-L139 PolarHBondContact O-N 2.64Å; V136-G140 PolarHBondContact O-N 2.78Å |
| 137 | I | 89.6 | Confident | 81.7 | Confident | 99 Ų | 99 | 82.5 Ų | 82.5 | 51% | 0.508 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 177.9 | -68.4 | 165 | 0 | 0 | 0 | 110.1 | C133 I134 T135 G140 W141 | C133-I137 VanDerWaalsContact O-CG1 3.28Å; C133-I137 WeakPolarHBondContact O-CG1 3.29Å; C133-I137 PolarHBondContact O-N 2.86Å; I134-I137 PolarHBondContact O-N 3.29Å; T135-I137 PolarHBondContact O-N 2.98Å; I137-G140 PolarHBondContact O-N 3.05Å; I137-W141 WeakPolarHBondContact O-CB 3.49Å; I137-W141 PolarHBondContact O-N 3.09Å |
| 138 | I | 88.8 | Confident | 79.6 | Confident | 83 Ų | 83 | 85 Ų | 85 | 43% | 0.426 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | -179.8 | -68.8 | 170 | 0 | 0 | 0 | 110.9 | I134 T135 V136 G140 W141 F142 | I134-I138 HydrophobicContact CG2-CD1 3.68Å; I134-I138 HydrophobicContact CG2-CG1 4.32Å; I134-I138 VanDerWaalsContact O-CG1 3.32Å; I134-I138 WeakPolarHBondContact O-CG1 3.37Å; I134-I138 PolarHBondContact O-N 3.17Å; T135-I138 PolarHBondContact O-N 3.15Å; V136-I138 PolarHBondContact O-N 3.42Å; I138-G140 VanDerWaalsContact C-N 3.34Å; I138-G140 PolarHBondContact O-N 3.16Å; I138-W141 PolarHBondContact O-N 3.35Å; I138-F142 HydrophobicContact CB-CD2 4.42Å; I138-F142 HydrophobicContact CG2-CD2 4.09Å; I138-F142 WeakPolarHBondContact O-CB 3.29Å; I138-F142 WeakPolarHBondContact O-CD2 3.22Å; I138-F142 PolarHBondContact O-N 3.04Å |
| 139 | L | 86.7 | Confident | 77.2 | Confident | 31 Ų | 31 | 92.5 Ų | 92.5 | 16% | 0.162 | 46% | 0.456 | C | S | . | . | I | π-helix | trans | -62.9 | -42 | 179.1 | -70.2 | 175.3 | 0 | 0 | 0 | 111.8 | V70 I73 M74 L77 T135 V136 V143 Y144 | V70-L139 HydrophobicContact CG1-CD2 4.4Å; I73-L139 HydrophobicContact CG2-CD1 3.75Å; M74-L139 HydrophobicContact CG-CB 3.72Å; M74-L139 HydrophobicContact CG-CD1 4.18Å; M74-L139 HydrophobicContact SD-CB 4.08Å; L77-L139 HydrophobicContact CD1-CD1 4.41Å; T135-L139 HydrophobicContact CG2-CD1 4Å; T135-L139 HydrophobicContact CG2-CG 4.4Å; T135-L139 WeakPolarHBondContact O-CB 3.32Å; T135-L139 VanDerWaalsContact O-CG 3.32Å; T135-L139 WeakPolarHBondContact O-CG 3.4Å; T135-L139 PolarHBondContact O-N 3.06Å; V136-L139 PolarHBondContact O-N 2.64Å; L139-V143 HydrophobicContact CD2-CB 4.3Å; L139-V143 HydrophobicContact CD2-CG2 3.85Å; L139-V143 WeakPolarHBondContact O-CB 3.46Å; L139-V143 PolarHBondContact O-N 2.91Å; L139-V143 VanDerWaalsContact O-N 3.13Å; L139-Y144 PolarHBondContact O-N 3.18Å |
| 140 | G | 84.3 | Confident | 74.8 | Confident | 26 Ų | 26 | 96.1 Ų | 96.1 | 27% | 0.268 | 48% | 0.481 | S | S | . | . | I | π-helix | trans | -68.6 | -41 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V136 I137 I138 | V136-G140 PolarHBondContact O-N 2.78Å; I137-G140 PolarHBondContact O-N 3.05Å; I138-G140 VanDerWaalsContact C-N 3.34Å; I138-G140 PolarHBondContact O-N 3.16Å |
| 141 | W | 83.4 | Confident | 72.3 | Confident | 201 Ų | 201 | 97.9 Ų | 97.9 | 76% | 0.761 | 49% | 0.488 | S | S | * | . | I | π-helix | trans | -85.7 | -31.9 | -176.7 | -83.1 | 64.9 | 0 | 0 | 0 | 114.3 | I137 I138 P145 | I137-W141 WeakPolarHBondContact O-CB 3.49Å; I137-W141 PolarHBondContact O-N 3.09Å; I138-W141 PolarHBondContact O-N 3.35Å; W141-P145 VanDerWaalsContact O-CG 3.22Å; W141-P145 WeakPolarHBondContact O-CG 3.32Å |
| 142 | F | 77.8 | Confident | 70 | Confident | 153 Ų | 153 | 101.7 Ų | 101.7 | 67% | 0.671 | 50% | 0.503 | S | S | * | . | I | π-helix | trans | -110.9 | -29.3 | -172 | -64.2 | -79.7 | 0 | 0 | 0 | 113.8 | I138 | I138-F142 HydrophobicContact CB-CD2 4.42Å; I138-F142 HydrophobicContact CG2-CD2 4.09Å; I138-F142 WeakPolarHBondContact O-CB 3.29Å; I138-F142 WeakPolarHBondContact O-CD2 3.22Å; I138-F142 PolarHBondContact O-N 3.04Å |
| 143 | V | 74.4 | Confident | 67.5 | Low | 69 Ų | 69 | 108.5 Ų | 108.5 | 42% | 0.418 | 54% | 0.539 | S | S | . | . | I | π-helix | trans | -99.7 | -46.1 | -173.7 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | V70 L139 P145 | V70-V143 HydrophobicContact CB-CG1 4.42Å; V70-V143 HydrophobicContact CG1-CB 4.3Å; V70-V143 HydrophobicContact CG1-CG1 3.85Å; V70-V143 HydrophobicContact CG2-CG1 3.84Å; L139-V143 HydrophobicContact CD2-CB 4.3Å; L139-V143 HydrophobicContact CD2-CG2 3.85Å; L139-V143 WeakPolarHBondContact O-CB 3.46Å; L139-V143 PolarHBondContact O-N 2.91Å; L139-V143 VanDerWaalsContact O-N 3.13Å; V143-P145 VanDerWaalsContact C-CD 3.41Å |
| 144 | Y | 68.4 | Low | 65.1 | Low | 87 Ų | 87 | 112 Ų | 112 | 34% | 0.341 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -72 | -29.1 | -176.7 | -156.8 | -100.9 | 0 | 0 | 0 | 116.7 | L71 M74 L139 K146 | L71-Y144 HydrophobicContact CB-CE2 4.2Å; L71-Y144 HydrophobicContact CD1-CD2 4.46Å; L71-Y144 HydrophobicContact CD1-CE2 3.64Å; M74-Y144 HydrophobicContact SD-CD2 4.43Å; M74-Y144 HydrophobicContact SD-CG 4.48Å; L139-Y144 PolarHBondContact O-N 3.18Å; Y144-K146 PolarHBondContact O-N 2.95Å |
| 145 | P | 56.8 | Low | 62.6 | Low | 55 Ų | 55 | 120 Ų | 120 | 36% | 0.357 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -73.3 | 3.2 | -168.7 | 28.6 | -34.6 | 0 | 0 | 0 | 115.6 | W141 V143 N147 | W141-P145 VanDerWaalsContact O-CG 3.22Å; W141-P145 WeakPolarHBondContact O-CG 3.32Å; V143-P145 VanDerWaalsContact C-CD 3.41Å; P145-N147 PolarHBondContact O-N 3.44Å; P145-N147 VanDerWaalsContact O-N 3.12Å |
| 146 | K | 54.2 | Low | 61.3 | Low | 188 Ų | 188 | 123.1 Ų | 123.1 | 82% | 0.817 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -65.9 | -12.4 | 178.1 | -89.1 | -177 | 174 | 175.4 | 0 | 115.1 | Y144 | Y144-K146 PolarHBondContact O-N 2.95Š|
| 147 | N | 51.4 | Low | 59.8 | Low | 118 Ų | 118 | 128.1 Ų | 128.1 | 63% | 0.631 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -114.1 | 2.3 | -175.8 | -66.1 | -11.1 | 0 | 0 | 0 | 115.4 | P145 | P145-N147 PolarHBondContact O-N 3.44Å; P145-N147 VanDerWaalsContact O-N 3.12Å |
| 148 | F | 46.2 | Very low | 58.1 | Low | 170 Ų | 170 | 129.7 Ų | 129.7 | 75% | 0.746 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -110.2 | 6.2 | -175.9 | -116 | -83.6 | 0 | 0 | 0 | 115.4 | P150 | F148-P150 VanDerWaalsContact O-CD 3.28Å; F148-P150 WeakPolarHBondContact O-CD 3.42Å |
| 149 | Y | 40.3 | Very low | 56.3 | Low | 209 Ų | 209 | 132.5 Ų | 132.5 | 82% | 0.82 | 64% | 0.641 | S | S | * | * | trans | -89.2 | 107.5 | 158.7 | -83.2 | -83.7 | 0 | 0 | 0 | 108.3 | M151 | Y149-M151 PolarHBondContact O-N 3.26Š| ||
| 150 | P | 39.8 | Very low | 54.4 | Low | 98 Ų | 98 | 138.8 Ų | 138.8 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | -60.7 | 138.9 | 158.8 | 28.9 | -30.8 | 0 | 0 | 0 | 106.7 | F148 N152 | F148-P150 VanDerWaalsContact O-CD 3.28Å; F148-P150 WeakPolarHBondContact O-CD 3.42Å; P150-N152 VanDerWaalsContact C-N 3.32Å; P150-N152 PolarHBondContact O-N 3.09Å | ||
| 151 | M | 38.4 | Very low | 52.4 | Low | 154 Ų | 154 | 146.3 Ų | 146.3 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | trans | -52.8 | 97.9 | 167.6 | -72.2 | -155.9 | -91.9 | 0 | 0 | 109.6 | Y149 L154 | Y149-M151 PolarHBondContact O-N 3.26Å; M151-L154 HydrophobicContact CE-CD1 3.88Å; M151-L154 HydrophobicContact SD-CD1 3.59Å; M151-L154 VanDerWaalsContact SD-CD1 3.59Å | ||
| 152 | N | 39.7 | Very low | 50.2 | Low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -87.9 | 23.1 | 159.2 | -95.6 | 7.9 | 0 | 0 | 0 | 111.3 | P150 | P150-N152 VanDerWaalsContact C-N 3.32Å; P150-N152 PolarHBondContact O-N 3.09Å | ||
| 153 | N | 37.4 | Very low | 48.1 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | trans | -125.7 | 61.4 | 173.6 | -80.5 | -14.2 | 0 | 0 | 0 | 110.5 | ||||
| 154 | L | 38.1 | Very low | 45.9 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 63% | 0.634 | 72% | 0.717 | S | S | * | * | trans | -143.4 | 110.8 | 156.8 | -97.8 | 127.4 | 0 | 0 | 0 | 108.4 | M151 | M151-L154 HydrophobicContact CE-CD1 3.88Å; M151-L154 HydrophobicContact SD-CD1 3.59Å; M151-L154 VanDerWaalsContact SD-CD1 3.59Å | ||
| 155 | H | 40.6 | Very low | 43.9 | Very low | 265 Ų | 265 | 153.2 Ų | 153.2 | 100% | 1.227 | 75% | 0.752 | S | S | * | * | trans | 85.6 | 0 | 178.2 | -69.8 | -74.9 | 0 | 0 | 0 | 118.2 |
Retrieved 155 of 155 residues in 34.3 ms
(Link to these results)