| 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 | 29.7 | Very low | 78.2 | Confident | 210 Ų | 210 | 92.1 Ų | 92.1 | 100% | 1.034 | 49% | 0.494 | S | S | * | . | 0 | 178 | 0 | -80.4 | 173.5 | 165.7 | 0 | 0 | 107.9 | L3 | M1-L3 PolarHBondContact O-N 3.33Š| |||
| 2 | P | 46.9 | Very low | 79.8 | Confident | 114 Ų | 114 | 86.8 Ų | 86.8 | 74% | 0.74 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 136.7 | 150 | -17 | 31.7 | 0 | 0 | 0 | 107.7 | ||
| 3 | L | 57.1 | Low | 81.2 | Confident | 111 Ų | 111 | 84.7 Ų | 84.7 | 58% | 0.581 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -90 | 126.9 | 160.3 | -78.7 | 163.6 | 0 | 0 | 0 | 105.4 | M1 R447 A450 | M1-L3 PolarHBondContact O-N 3.33Å; L3-R447 HydrophobicContact CD1-CG 4.24Å; L3-A450 HydrophobicContact CD1-CB 4.45Å |
| 4 | D | 69.9 | Low | 82.4 | Confident | 141 Ų | 141 | 80.9 Ų | 80.9 | 75% | 0.754 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 144.3 | 174.2 | -63.9 | -51.4 | 0 | 0 | 0 | 109.7 | I6 | D4-I6 PolarHBondContact O-N 2.87Š|
| 5 | F | 87 | Confident | 83.4 | Confident | 52 Ų | 52 | 82.3 Ų | 82.3 | 23% | 0.228 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 122.4 | -173.7 | 171.3 | -107.8 | 0 | 0 | 0 | 111.2 | R7 E295 W299 P445 | F5-R7 HydrophobicContact CE1-CB 4.5Å; F5-R7 HydrophobicContact CE1-CG 3.7Å; F5-R7 HydrophobicContact CZ-CG 4.19Å; F5-E295 HydrophobicContact CE1-CG 3.76Å; F5-E295 HydrophobicContact CZ-CG 3.95Å; F5-W299 HydrophobicContact CB-CB 4.17Å; F5-W299 AromaticContact CD1-CD1 3.96Å; F5-W299 HydrophobicContact CD2-CB 4.12Å; F5-W299 AromaticContact CD2-CD1 3.49Å; F5-W299 VanDerWaalsContact CD2-CD1 3.49Å; F5-W299 HydrophobicContact CD2-CD2 4.46Å; F5-W299 AromaticContact CD2-CG 3.76Å; F5-W299 HydrophobicContact CD2-CG 3.76Å; F5-W299 AromaticContact CE1-CD1 3.78Å; F5-W299 AromaticContact CE2-CD1 3.29Å; F5-W299 HydrophobicContact CE2-CD2 4.49Å; F5-W299 AromaticContact CE2-CG 3.97Å; F5-W299 HydrophobicContact CE2-CG 3.97Å; F5-W299 AromaticContact CE2-NE1 3.45Å; F5-W299 HydrophobicContact CG-CB 4.02Å; F5-W299 AromaticContact CG-CD1 3.82Å; F5-W299 HydrophobicContact CG-CG 4.08Å; F5-W299 AromaticContact CZ-CD1 3.44Å; F5-W299 VanDerWaalsContact CZ-CD1 3.44Å; F5-W299 HydrophobicContact CZ-CG 4.46Å; F5-W299 AromaticContact CZ-NE1 3.65Å; F5-P445 HydrophobicContact CE2-CG 4.4Å |
| 6 | I | 88.8 | Confident | 84.2 | Confident | 115 Ų | 115 | 77.7 Ų | 77.7 | 59% | 0.59 | 42% | 0.42 | S | S | * | . | trans | -105.7 | 123.4 | 173.3 | -56.8 | 174.8 | 0 | 0 | 0 | 107.7 | D4 S446 | D4-I6 PolarHBondContact O-N 2.87Å; I6-S446 PolarHBondContact N-OG 2.87Å; I6-S446 PolarHBondContact O-OG 3.31Å; I6-S446 VanDerWaalsContact O-OG 3.14Å | ||
| 7 | R | 93.7 | Very high | 84.8 | Confident | 96 Ų | 96 | 76.1 Ų | 76.1 | 36% | 0.362 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -62 | 128.3 | 174.9 | -69 | -179.8 | 82.7 | -169.9 | 24.7 | 110.1 | F5 E292 E295 | F5-R7 HydrophobicContact CE1-CB 4.5Å; F5-R7 HydrophobicContact CE1-CG 3.7Å; F5-R7 HydrophobicContact CZ-CG 4.19Å; R7-E292 IonicContact CZ-OE1 2.7Å; R7-E292 IonicContact NH1-OE1 3.87Å; R7-E292 PolarHBondContact NH1-OE1 2.63Å; R7-E292 IonicContact NH2-OE1 2.7Å; R7-E292 PolarHBondContact NH2-OE1 3.23Å; R7-E295 IonicContact CZ-OE2 3.7Å; R7-E295 IonicContact NE-OE2 3.09Å; R7-E295 PolarHBondContact NE-OE2 3.14Å; R7-E295 IonicContact NH2-OE2 3.86Å; R7-E295 PolarHBondContact NH2-OE2 2.83Å |
| 8 | P | 96 | Very high | 85.2 | Confident | 7 Ų | 7 | 76.8 Ų | 76.8 | 5% | 0.045 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 162.4 | 175.2 | -17.7 | 31.5 | 0 | 0 | 0 | 112.7 | Y407 P445 V455 R457 | P8-Y407 HydrophobicContact CG-CD1 4.09Å; P8-Y407 HydrophobicContact CG-CE1 4.17Å; P8-P445 HydrophobicContact CG-CB 3.43Å; P8-P445 VanDerWaalsContact CG-CB 3.43Å; P8-P445 HydrophobicContact CG-CG 4Å; P8-V455 HydrophobicContact CB-CB 4.41Å; P8-V455 HydrophobicContact CB-CG1 4.3Å; P8-V455 VanDerWaalsContact CB-O 3.32Å; P8-V455 WeakPolarHBondContact CB-O 3.41Å; P8-V455 HydrophobicContact CG-CG1 4.15Å; P8-R457 HydrophobicContact CB-CG 4.06Å; P8-R457 HydrophobicContact CG-CG 4.41Å; P8-R457 WeakPolarHBondContact O-CD 3.08Å; P8-R457 WeakPolarHBondContact O-CG 2.86Å |
| 9 | P | 96.7 | Very high | 85.5 | Confident | 61 Ų | 61 | 78.2 Ų | 78.2 | 40% | 0.396 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 155.1 | 173.1 | 25.1 | -35.4 | 0 | 0 | 0 | 113 | V455 Y456 R457 | P9-V455 WeakPolarHBondContact CD-O 3.09Å; P9-Y456 HydrophobicContact CB-CD1 4.2Å; P9-Y456 HydrophobicContact CB-CE1 4.47Å; P9-Y456 HydrophobicContact CG-CD1 3.71Å; P9-Y456 HydrophobicContact CG-CE1 3.9Å; P9-Y456 CarbonylContact O-C 3.55Å; P9-Y456 VanDerWaalsContact O-CA 3.28Å; P9-Y456 WeakPolarHBondContact O-CA 3.22Å; P9-R457 PolarHBondContact O-N 2.64Å |
| 10 | P | 97.2 | Very high | 85.9 | Confident | 101 Ų | 101 | 77.3 Ų | 77.3 | 66% | 0.656 | 42% | 0.418 | S | S | * | . | B | Isolated β-bridge | trans | -71.1 | 146 | 178.8 | 29.5 | -34.7 | 0 | 0 | 0 | 113 | R457 | P10-R457 CarbonylContact C-O 3.26Å; P10-R457 VanDerWaalsContact CA-O 3.27Å; P10-R457 WeakPolarHBondContact CA-O 3.47Å |
| 11 | A | 97.5 | Very high | 86.3 | Confident | 5 Ų | 5 | 74.5 Ų | 74.5 | 4% | 0.041 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 155.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I40 R457 | A11-I40 HydrophobicContact CB-CD1 4.48Å; A11-I40 HydrophobicContact CB-CG1 3.98Å; A11-R457 PolarHBondContact N-O 3.2Å |
| 12 | P | 97.5 | Very high | 89.3 | Confident | 28 Ų | 28 | 69 Ų | 69 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 147.9 | -175.6 | 25.5 | -35.3 | 0 | 0 | 0 | 113.3 | F14 Y38 C41 K42 | P12-F14 HydrophobicContact CB-CE2 3.84Å; P12-F14 HydrophobicContact CB-CZ 4.12Å; P12-F14 HydrophobicContact CG-CE2 3.99Å; P12-F14 HydrophobicContact CG-CZ 4.43Å; P12-Y38 HydrophobicContact CG-CD1 4.47Å; P12-Y38 HydrophobicContact CG-CD2 3.72Å; P12-Y38 HydrophobicContact CG-CE2 4.11Å; P12-Y38 HydrophobicContact CG-CG 3.93Å; P12-C41 HydrophobicContact CG-CB 4.02Å; P12-K42 PolarHBondContact O-N 3.11Å |
| 13 | V | 98.2 | Very high | 91.5 | Very high | 60 Ų | 60 | 65.4 Ų | 65.4 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.9 | 178.1 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | K42 R44 | V13-K42 CarbonylContact C-O 3.54Å; V13-K42 WeakPolarHBondContact CA-O 3.03Å; V13-K42 HydrophobicContact CG1-CB 4.42Å; V13-K42 HydrophobicContact CG2-CB 4.27Å; V13-R44 HydrophobicContact CG1-CG 4.14Å |
| 14 | F | 98 | Very high | 93.3 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 142.1 | -179.6 | -62.5 | -85.7 | 0 | 0 | 0 | 111 | P12 Y27 I31 I34 A35 C41 K42 I43 R44 | P12-F14 HydrophobicContact CB-CE2 3.84Å; P12-F14 HydrophobicContact CB-CZ 4.12Å; P12-F14 HydrophobicContact CG-CE2 3.99Å; P12-F14 HydrophobicContact CG-CZ 4.43Å; F14-Y27 HydrophobicContact CB-CE1 4.36Å; F14-I31 HydrophobicContact CD1-CB 4.22Å; F14-I31 HydrophobicContact CD1-CG2 3.72Å; F14-I31 HydrophobicContact CD2-CD1 3.67Å; F14-I31 HydrophobicContact CE1-CB 3.92Å; F14-I31 HydrophobicContact CE1-CG2 3.82Å; F14-I31 HydrophobicContact CE2-CB 4.33Å; F14-I31 HydrophobicContact CE2-CD1 3.89Å; F14-I31 HydrophobicContact CG-CD1 4Å; F14-I31 HydrophobicContact CG-CG2 4.21Å; F14-I31 HydrophobicContact CZ-CB 3.98Å; F14-I31 HydrophobicContact CZ-CD1 4.41Å; F14-I31 HydrophobicContact CZ-CG2 4.38Å; F14-I34 HydrophobicContact CZ-CB 4.41Å; F14-I34 HydrophobicContact CZ-CG2 4.23Å; F14-A35 HydrophobicContact CE2-CB 4.07Å; F14-A35 HydrophobicContact CZ-CB 4.34Å; F14-C41 HydrophobicContact CD2-CB 4.02Å; F14-C41 HydrophobicContact CE2-CB 3.74Å; F14-K42 PolarHBondContact N-O 2.92Å; F14-I43 HydrophobicContact CB-CG1 4.47Å; F14-I43 WeakPolarHBondContact O-CA 3.47Å; F14-R44 PolarHBondContact O-N 2.82Å |
| 15 | N | 96.7 | Very high | 94.5 | Very high | 101 Ų | 101 | 53.6 Ų | 53.6 | 54% | 0.54 | 29% | 0.293 | S | S | . | . | trans | -127.3 | 80.8 | -177.8 | -51.2 | -89.1 | 0 | 0 | 0 | 108.6 | R44 | N15-R44 WeakPolarHBondContact OD1-CB 3.05Å; N15-R44 WeakPolarHBondContact OD1-CD 2.86Å | ||
| 16 | P | 96.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | trans | -53 | 144.8 | 178.1 | 15 | -30.1 | 0 | 0 | 0 | 114 | E20 F21 Y27 I43 R44 | P16-E20 WeakPolarHBondContact CA-OE2 3.17Å; P16-E20 HydrophobicContact CB-CB 4.13Å; P16-F21 HydrophobicContact CB-CB 4.17Å; P16-F21 HydrophobicContact CB-CD2 4.02Å; P16-F21 HydrophobicContact CG-CD2 3.54Å; P16-F21 HydrophobicContact CG-CE2 4.19Å; P16-F21 HydrophobicContact CG-CG 4.47Å; P16-Y27 HydrophobicContact CB-CD2 4.23Å; P16-Y27 HydrophobicContact CB-CE1 4.44Å; P16-Y27 HydrophobicContact CB-CE2 3.57Å; P16-Y27 WeakPolarHBondContact CD-OH 3.27Å; P16-Y27 HydrophobicContact CG-CE1 4.47Å; P16-Y27 HydrophobicContact CG-CE2 4.42Å; P16-I43 HydrophobicContact CG-CG2 3.84Å; P16-R44 VanDerWaalsContact CD-O 3.3Å; P16-R44 WeakPolarHBondContact CD-O 2.93Å | ||
| 17 | T | 94 | Very high | 95.1 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | trans | -69.5 | 164.3 | 161.6 | 77.6 | 0 | 0 | 0 | 0 | 110.9 | E19 E20 F21 | T17-E19 VanDerWaalsContact C-N 3.29Å; T17-E19 WeakPolarHBondContact CB-OE2 3.36Å; T17-E19 PolarHBondContact O-N 3.15Å; T17-E19 VanDerWaalsContact OG1-CD 3.29Å; T17-E19 PolarHBondContact OG1-N 2.94Å; T17-E19 PolarHBondContact OG1-OE2 3.44Å; T17-E20 HydrophobicContact CG2-CG 4.34Å; T17-E20 PolarHBondContact N-OE2 3.04Å; T17-E20 PolarHBondContact O-N 3.13Å; T17-E20 WeakPolarHBondContact OG1-CB 3.06Å; T17-E20 VanDerWaalsContact OG1-CG 3.27Å; T17-E20 WeakPolarHBondContact OG1-CG 3.12Å; T17-E20 PolarHBondContact OG1-N 3.4Å; T17-E20 VanDerWaalsContact OG1-N 3.12Å; T17-F21 VanDerWaalsContact O-CB 3.31Å; T17-F21 WeakPolarHBondContact O-CB 3.48Å; T17-F21 PolarHBondContact O-N 3.08Å | ||
| 18 | P | 92.3 | Very high | 95.2 | Very high | 89 Ų | 89 | 44.3 Ų | 44.3 | 58% | 0.578 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -40.4 | 173.5 | -26.6 | 35.4 | 0 | 0 | 0 | 114.3 | F21 P46 | P18-F21 PolarHBondContact O-N 3.36Å; P18-P46 HydrophobicContact CG-CB 4.34Å |
| 19 | E | 90.6 | Very high | 95 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 48% | 0.481 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -45.4 | 176.8 | -37.1 | 73.9 | -105.7 | 0 | 0 | 111 | T17 F21 T22 | T17-E19 VanDerWaalsContact C-N 3.29Å; T17-E19 WeakPolarHBondContact CB-OE2 3.36Å; T17-E19 PolarHBondContact O-N 3.15Å; T17-E19 VanDerWaalsContact OG1-CD 3.29Å; T17-E19 PolarHBondContact OG1-N 2.94Å; T17-E19 PolarHBondContact OG1-OE2 3.44Å; E19-F21 PolarHBondContact O-N 3.32Å; E19-T22 WeakPolarHBondContact O-CB 3.1Å; E19-T22 VanDerWaalsContact O-CG2 3.24Å; E19-T22 WeakPolarHBondContact O-CG2 3.45Å; E19-T22 PolarHBondContact O-N 2.72Å; E19-T22 PolarHBondContact O-OG1 3.39Å |
| 20 | E | 93 | Very high | 94.7 | Very high | 60 Ų | 60 | 50.1 Ų | 50.1 | 28% | 0.28 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25.8 | 176.2 | -70.9 | -176.7 | 151.9 | 0 | 0 | 112.9 | P16 T17 T22 Y27 R30 | P16-E20 WeakPolarHBondContact CA-OE2 3.17Å; P16-E20 HydrophobicContact CB-CB 4.13Å; T17-E20 HydrophobicContact CG2-CG 4.34Å; T17-E20 PolarHBondContact N-OE2 3.04Å; T17-E20 PolarHBondContact O-N 3.13Å; T17-E20 WeakPolarHBondContact OG1-CB 3.06Å; T17-E20 VanDerWaalsContact OG1-CG 3.27Å; T17-E20 WeakPolarHBondContact OG1-CG 3.12Å; T17-E20 PolarHBondContact OG1-N 3.4Å; T17-E20 VanDerWaalsContact OG1-N 3.12Å; E20-T22 PolarHBondContact O-N 3.41Å; E20-Y27 HydrophobicContact CB-CD2 3.86Å; E20-Y27 HydrophobicContact CB-CE2 3.8Å; E20-Y27 HydrophobicContact CG-CE2 4.45Å; E20-Y27 WeakPolarHBondContact O-CD2 3.24Å; E20-R30 IonicContact OE1-CZ 2.85Å; E20-R30 IonicContact OE1-NH1 3.72Å; E20-R30 PolarHBondContact OE1-NH1 2.97Å; E20-R30 IonicContact OE1-NH2 2.76Å; E20-R30 PolarHBondContact OE1-NH2 3.01Å; E20-R30 IonicContact OE2-NH2 3.19Å; E20-R30 PolarHBondContact OE2-NH2 3.45Å |
| 21 | F | 95.4 | Very high | 94.7 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 13.3 | 176.8 | -157.1 | -107.9 | 0 | 0 | 0 | 113.3 | P16 T17 P18 E19 P45 P46 W49 W346 F465 | P16-F21 HydrophobicContact CB-CB 4.17Å; P16-F21 HydrophobicContact CB-CD2 4.02Å; P16-F21 HydrophobicContact CG-CD2 3.54Å; P16-F21 HydrophobicContact CG-CE2 4.19Å; P16-F21 HydrophobicContact CG-CG 4.47Å; T17-F21 VanDerWaalsContact O-CB 3.31Å; T17-F21 WeakPolarHBondContact O-CB 3.48Å; T17-F21 PolarHBondContact O-N 3.08Å; P18-F21 PolarHBondContact O-N 3.36Å; E19-F21 PolarHBondContact O-N 3.32Å; F21-P45 HydrophobicContact CE1-CB 4.34Å; F21-P45 HydrophobicContact CE2-CB 4.02Å; F21-P45 HydrophobicContact CE2-CG 4.26Å; F21-P45 HydrophobicContact CZ-CB 3.71Å; F21-P45 HydrophobicContact CZ-CG 4.01Å; F21-P46 HydrophobicContact CB-CG 3.73Å; F21-P46 HydrophobicContact CD1-CG 4.15Å; F21-P46 HydrophobicContact CD2-CG 4.34Å; F21-P46 VanDerWaalsContact CG-CD 3.46Å; F21-P46 HydrophobicContact CG-CG 3.83Å; F21-W49 HydrophobicContact CE1-CB 4.29Å; F21-W49 AromaticContact CE1-CD1 3.57Å; F21-W49 AromaticContact CE1-CD2 3.84Å; F21-W49 HydrophobicContact CE1-CD2 3.84Å; F21-W49 AromaticContact CE1-CE2 3.88Å; F21-W49 AromaticContact CE1-CG 3.67Å; F21-W49 HydrophobicContact CE1-CG 3.67Å; F21-W49 AromaticContact CE1-NE1 3.7Å; F21-W49 HydrophobicContact CZ-CD2 4.09Å; F21-W49 HydrophobicContact CZ-CE3 4.41Å; F21-W49 HydrophobicContact CZ-CG 4.32Å; F21-W346 AromaticContact CD1-CD1 3.76Å; F21-W346 HydrophobicContact CD1-CG 4.33Å; F21-W346 AromaticContact CD1-NE1 3.67Å; F21-W346 AromaticContact CD2-CD2 4Å; F21-W346 HydrophobicContact CD2-CD2 4Å; F21-W346 AromaticContact CD2-CE2 3.35Å; F21-W346 HydrophobicContact CD2-CH2 4.03Å; F21-W346 AromaticContact CD2-CZ2 3.37Å; F21-W346 HydrophobicContact CD2-CZ2 3.37Å; F21-W346 AromaticContact CD2-NE1 3.6Å; F21-W346 HydrophobicContact CE1-CB 4.2Å; F21-W346 AromaticContact CE1-CD1 3.51Å; F21-W346 HydrophobicContact CE1-CD2 4.03Å; F21-W346 AromaticContact CE1-CG 3.67Å; F21-W346 HydrophobicContact CE1-CG 3.67Å; F21-W346 AromaticContact CE1-NE1 3.78Å; F21-W346 AromaticContact CE2-CD2 3.38Å; F21-W346 HydrophobicContact CE2-CD2 3.38Å; F21-W346 AromaticContact CE2-CE2 3.25Å; F21-W346 AromaticContact CE2-CE3 3.68Å; F21-W346 HydrophobicContact CE2-CE3 3.68Å; F21-W346 AromaticContact CE2-CG 3.96Å; F21-W346 HydrophobicContact CE2-CG 3.96Å; F21-W346 AromaticContact CE2-CH2 3.8Å; F21-W346 HydrophobicContact CE2-CH2 3.8Å; F21-W346 AromaticContact CE2-CZ2 3.48Å; F21-W346 HydrophobicContact CE2-CZ2 3.48Å; F21-W346 VanDerWaalsContact CE2-CZ2 3.48Å; F21-W346 AromaticContact CE2-CZ3 3.88Å; F21-W346 HydrophobicContact CE2-CZ3 3.88Å; F21-W346 AromaticContact CE2-NE1 3.75Å; F21-W346 AromaticContact CG-CE2 3.86Å; F21-W346 HydrophobicContact CG-CZ2 4.18Å; F21-W346 AromaticContact CG-NE1 3.58Å; F21-W346 HydrophobicContact CZ-CB 4.04Å; F21-W346 AromaticContact CZ-CD1 3.72Å; F21-W346 AromaticContact CZ-CD2 3.39Å; F21-W346 HydrophobicContact CZ-CD2 3.39Å; F21-W346 AromaticContact CZ-CE2 3.65Å; F21-W346 AromaticContact CZ-CE3 3.88Å; F21-W346 HydrophobicContact CZ-CE3 3.88Å; F21-W346 AromaticContact CZ-CG 3.46Å; F21-W346 HydrophobicContact CZ-CG 3.46Å; F21-W346 VanDerWaalsContact CZ-CG 3.46Å; F21-W346 HydrophobicContact CZ-CZ2 4.33Å; F21-W346 AromaticContact CZ-NE1 3.83Å; F21-W346 VanDerWaalsContact O-CD1 3.32Å; F21-W346 PolarHBondContact O-NE1 3.28Å; F21-F465 HydrophobicContact CZ-CE2 4.19Å |
| 22 | T | 93.4 | Very high | 94.4 | Very high | 96 Ų | 96 | 46.2 Ų | 46.2 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -76.1 | -52.4 | 177.5 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | E19 E20 | E19-T22 WeakPolarHBondContact O-CB 3.1Å; E19-T22 VanDerWaalsContact O-CG2 3.24Å; E19-T22 WeakPolarHBondContact O-CG2 3.45Å; E19-T22 PolarHBondContact O-N 2.72Å; E19-T22 PolarHBondContact O-OG1 3.39Å; E20-T22 PolarHBondContact O-N 3.41Å |
| 23 | D | 92.3 | Very high | 94 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | trans | -112.4 | 112 | 175.1 | 177.6 | 10.7 | 0 | 0 | 0 | 111.8 | I25 S26 Y27 N356 | D23-I25 VanDerWaalsContact C-N 3.31Å; D23-I25 PolarHBondContact O-N 2.83Å; D23-I25 PolarHBondContact OD1-N 2.98Å; D23-S26 WeakPolarHBondContact OD2-CB 3.19Å; D23-S26 PolarHBondContact OD2-N 3.2Å; D23-S26 PolarHBondContact OD2-OG 3.12Å; D23-Y27 WeakPolarHBondContact O-CB 3.41Å; D23-Y27 PolarHBondContact O-N 3.12Å; D23-N356 PolarHBondContact OD2-ND2 3.36Å | ||
| 24 | P | 95.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.019 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -33.4 | 176.9 | 24.3 | -33.4 | 0 | 0 | 0 | 113.8 | V28 P345 W346 T351 L354 | P24-V28 WeakPolarHBondContact O-CB 3.23Å; P24-V28 VanDerWaalsContact O-CG2 3.28Å; P24-V28 WeakPolarHBondContact O-CG2 3.41Å; P24-V28 PolarHBondContact O-N 2.9Å; P24-P345 VanDerWaalsContact CD-CB 3.47Å; P24-P345 HydrophobicContact CG-CB 4Å; P24-W346 HydrophobicContact CB-CD2 3.73Å; P24-W346 HydrophobicContact CB-CE3 3.98Å; P24-W346 HydrophobicContact CB-CG 4.33Å; P24-W346 HydrophobicContact CB-CH2 3.98Å; P24-W346 HydrophobicContact CB-CZ2 3.74Å; P24-W346 HydrophobicContact CB-CZ3 4.1Å; P24-W346 HydrophobicContact CG-CD2 4.41Å; P24-T351 HydrophobicContact CG-CG2 4.13Å; P24-L354 HydrophobicContact CG-CD1 3.59Å |
| 25 | I | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -76 | -49.8 | -174.4 | -57.9 | -176.2 | 0 | 0 | 0 | 109.6 | D23 Y27 V28 Q29 L354 N356 F489 P491 | D23-I25 VanDerWaalsContact C-N 3.31Å; D23-I25 PolarHBondContact O-N 2.83Å; D23-I25 PolarHBondContact OD1-N 2.98Å; I25-Y27 PolarHBondContact O-N 3.44Å; I25-V28 PolarHBondContact O-N 2.87Å; I25-Q29 HydrophobicContact CG2-CG 4.49Å; I25-Q29 WeakPolarHBondContact O-CG 3.14Å; I25-Q29 PolarHBondContact O-N 3.47Å; I25-L354 HydrophobicContact CD1-CB 3.92Å; I25-L354 HydrophobicContact CD1-CD1 4.1Å; I25-L354 HydrophobicContact CG1-CD1 4.15Å; I25-N356 HydrophobicContact CB-CB 3.94Å; I25-N356 HydrophobicContact CD1-CB 4.15Å; I25-N356 HydrophobicContact CG2-CB 3.69Å; I25-F489 HydrophobicContact CD1-CD2 4.43Å; I25-F489 HydrophobicContact CG1-CD2 4.15Å; I25-P491 HydrophobicContact CG2-CB 3.87Å |
| 26 | S | 91.1 | Very high | 93.2 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 39% | 0.392 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.9 | -37.5 | 172.2 | -64.1 | 0 | 0 | 0 | 0 | 111.9 | D23 R30 N356 | D23-S26 WeakPolarHBondContact OD2-CB 3.19Å; D23-S26 PolarHBondContact OD2-N 3.2Å; D23-S26 PolarHBondContact OD2-OG 3.12Å; S26-R30 VanDerWaalsContact O-CB 3.31Å; S26-R30 WeakPolarHBondContact O-CB 3.5Å; S26-R30 PolarHBondContact O-N 2.87Å; S26-N356 PolarHBondContact OG-ND2 3.07Å |
| 27 | Y | 95.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 4% | 0.043 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -48.9 | 175 | -170.7 | -90.7 | 0 | 0 | 0 | 112.3 | F14 P16 E20 D23 I25 R30 I31 I43 W346 | F14-Y27 HydrophobicContact CB-CE1 4.36Å; P16-Y27 HydrophobicContact CB-CD2 4.23Å; P16-Y27 HydrophobicContact CB-CE1 4.44Å; P16-Y27 HydrophobicContact CB-CE2 3.57Å; P16-Y27 WeakPolarHBondContact CD-OH 3.27Å; P16-Y27 HydrophobicContact CG-CE1 4.47Å; P16-Y27 HydrophobicContact CG-CE2 4.42Å; E20-Y27 HydrophobicContact CB-CD2 3.86Å; E20-Y27 HydrophobicContact CB-CE2 3.8Å; E20-Y27 HydrophobicContact CG-CE2 4.45Å; E20-Y27 WeakPolarHBondContact O-CD2 3.24Å; D23-Y27 WeakPolarHBondContact O-CB 3.41Å; D23-Y27 PolarHBondContact O-N 3.12Å; I25-Y27 PolarHBondContact O-N 3.44Å; Y27-R30 PolarHBondContact O-N 3.29Å; Y27-I31 HydrophobicContact CD1-CD1 4.35Å; Y27-I31 HydrophobicContact CD1-CG2 4.4Å; Y27-I31 HydrophobicContact CE1-CD1 4.05Å; Y27-I31 HydrophobicContact CE1-CG2 3.88Å; Y27-I31 PolarHBondContact O-N 3.16Å; Y27-I31 VanDerWaalsContact O-N 3.1Å; Y27-I43 HydrophobicContact CD1-CD1 4.22Å; Y27-I43 HydrophobicContact CE1-CD1 4.19Å; Y27-I43 HydrophobicContact CE1-CG2 4.39Å; Y27-W346 HydrophobicContact CD1-CH2 4.29Å |
| 28 | V | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 178.7 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | P24 I25 R30 I31 S32 I43 Y393 V467 F469 F489 | P24-V28 WeakPolarHBondContact O-CB 3.23Å; P24-V28 VanDerWaalsContact O-CG2 3.28Å; P24-V28 WeakPolarHBondContact O-CG2 3.41Å; P24-V28 PolarHBondContact O-N 2.9Å; I25-V28 PolarHBondContact O-N 2.87Å; V28-R30 VanDerWaalsContact C-N 3.28Å; V28-R30 PolarHBondContact O-N 3.46Å; V28-I31 VanDerWaalsContact O-CG1 3.29Å; V28-I31 WeakPolarHBondContact O-CG1 3.45Å; V28-I31 PolarHBondContact O-N 3.22Å; V28-S32 WeakPolarHBondContact O-CB 3.22Å; V28-S32 PolarHBondContact O-N 3.28Å; V28-I43 HydrophobicContact CG2-CD1 4.28Å; V28-Y393 HydrophobicContact CG1-CD1 4.06Å; V28-Y393 HydrophobicContact CG1-CE1 3.82Å; V28-V467 HydrophobicContact CG1-CG1 4.2Å; V28-V467 HydrophobicContact CG2-CG1 4.46Å; V28-V467 HydrophobicContact CG2-CG2 4.22Å; V28-F469 HydrophobicContact CG1-CE1 4.47Å; V28-F489 HydrophobicContact CB-CE2 4.38Å; V28-F489 HydrophobicContact CB-CZ 4.38Å; V28-F489 HydrophobicContact CG1-CE2 4.15Å; V28-F489 HydrophobicContact CG1-CZ 4.01Å; V28-F489 HydrophobicContact CG2-CZ 4.21Å |
| 29 | Q | 92 | Very high | 93.4 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.9 | -40.3 | 176.3 | -71.9 | -175.2 | -66 | 0 | 0 | 111.6 | I25 I31 S32 P33 P491 D493 | I25-Q29 HydrophobicContact CG2-CG 4.49Å; I25-Q29 WeakPolarHBondContact O-CG 3.14Å; I25-Q29 PolarHBondContact O-N 3.47Å; Q29-I31 PolarHBondContact O-N 2.84Å; Q29-S32 VanDerWaalsContact O-CB 3.29Å; Q29-S32 WeakPolarHBondContact O-CB 3.5Å; Q29-S32 PolarHBondContact O-N 2.75Å; Q29-P33 WeakPolarHBondContact O-CD 3.3Å; Q29-P491 HydrophobicContact CG-CB 3.97Å; Q29-P491 HydrophobicContact CG-CG 4.41Å; Q29-D493 PolarHBondContact NE2-OD1 3.38Å |
| 30 | R | 91.8 | Very high | 93.8 | Very high | 134 Ų | 134 | 42.6 Ų | 42.6 | 51% | 0.506 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.2 | -33.3 | 178.6 | -169.8 | -178 | 64.9 | 133 | 11.1 | 113.7 | E20 S26 Y27 V28 | E20-R30 IonicContact OE1-CZ 2.85Å; E20-R30 IonicContact OE1-NH1 3.72Å; E20-R30 PolarHBondContact OE1-NH1 2.97Å; E20-R30 IonicContact OE1-NH2 2.76Å; E20-R30 PolarHBondContact OE1-NH2 3.01Å; E20-R30 IonicContact OE2-NH2 3.19Å; E20-R30 PolarHBondContact OE2-NH2 3.45Å; S26-R30 VanDerWaalsContact O-CB 3.31Å; S26-R30 WeakPolarHBondContact O-CB 3.5Å; S26-R30 PolarHBondContact O-N 2.87Å; Y27-R30 PolarHBondContact O-N 3.29Å; V28-R30 VanDerWaalsContact C-N 3.28Å; V28-R30 PolarHBondContact O-N 3.46Å |
| 31 | I | 95.2 | Very high | 94 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -86.8 | -14 | 174.4 | 65.2 | 167.6 | 0 | 0 | 0 | 113.5 | F14 Y27 V28 Q29 I34 A35 I43 | F14-I31 HydrophobicContact CD1-CB 4.22Å; F14-I31 HydrophobicContact CD1-CG2 3.72Å; F14-I31 HydrophobicContact CD2-CD1 3.67Å; F14-I31 HydrophobicContact CE1-CB 3.92Å; F14-I31 HydrophobicContact CE1-CG2 3.82Å; F14-I31 HydrophobicContact CE2-CB 4.33Å; F14-I31 HydrophobicContact CE2-CD1 3.89Å; F14-I31 HydrophobicContact CG-CD1 4Å; F14-I31 HydrophobicContact CG-CG2 4.21Å; F14-I31 HydrophobicContact CZ-CB 3.98Å; F14-I31 HydrophobicContact CZ-CD1 4.41Å; F14-I31 HydrophobicContact CZ-CG2 4.38Å; Y27-I31 HydrophobicContact CD1-CD1 4.35Å; Y27-I31 HydrophobicContact CD1-CG2 4.4Å; Y27-I31 HydrophobicContact CE1-CD1 4.05Å; Y27-I31 HydrophobicContact CE1-CG2 3.88Å; Y27-I31 PolarHBondContact O-N 3.16Å; Y27-I31 VanDerWaalsContact O-N 3.1Å; V28-I31 VanDerWaalsContact O-CG1 3.29Å; V28-I31 WeakPolarHBondContact O-CG1 3.45Å; V28-I31 PolarHBondContact O-N 3.22Å; Q29-I31 PolarHBondContact O-N 2.84Å; I31-I34 PolarHBondContact O-N 3.08Å; I31-I34 VanDerWaalsContact O-N 3.08Å; I31-A35 PolarHBondContact O-N 3.15Å; I31-I43 HydrophobicContact CD1-CD1 4.04Å; I31-I43 HydrophobicContact CD1-CG1 4.37Å |
| 32 | S | 91.5 | Very high | 94.2 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -52.4 | -45.5 | -175.6 | -167.7 | 0 | 0 | 0 | 0 | 114 | V28 Q29 I34 A35 F36 Y393 F469 | V28-S32 WeakPolarHBondContact O-CB 3.22Å; V28-S32 PolarHBondContact O-N 3.28Å; Q29-S32 VanDerWaalsContact O-CB 3.29Å; Q29-S32 WeakPolarHBondContact O-CB 3.5Å; Q29-S32 PolarHBondContact O-N 2.75Å; S32-I34 PolarHBondContact O-N 3.15Å; S32-A35 PolarHBondContact O-N 2.81Å; S32-F36 WeakPolarHBondContact O-CB 3.36Å; S32-F36 PolarHBondContact O-N 3.12Å; S32-Y393 PolarHBondContact OG-OH 2.86Å; S32-F469 WeakPolarHBondContact OG-CE1 3.27Å |
| 33 | P | 89.5 | Confident | 94.4 | Very high | 99 Ų | 99 | 35 Ų | 35 | 64% | 0.643 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -57.3 | -24 | 179.3 | -26.7 | 36.1 | 0 | 0 | 0 | 115 | Q29 N37 | Q29-P33 WeakPolarHBondContact O-CD 3.3Å; P33-N37 PolarHBondContact O-ND2 3.2Å |
| 34 | I | 93.2 | Very high | 94.7 | Very high | 99 Ų | 99 | 38.4 Ų | 38.4 | 51% | 0.508 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -91.1 | -54.6 | 173.9 | -58.8 | 174.8 | 0 | 0 | 0 | 109.6 | F14 I31 S32 F36 N37 Y38 | F14-I34 HydrophobicContact CZ-CB 4.41Å; F14-I34 HydrophobicContact CZ-CG2 4.23Å; I31-I34 PolarHBondContact O-N 3.08Å; I31-I34 VanDerWaalsContact O-N 3.08Å; S32-I34 PolarHBondContact O-N 3.15Å; I34-F36 PolarHBondContact O-N 3.4Å; I34-N37 PolarHBondContact O-N 3.44Å; I34-N37 PolarHBondContact O-ND2 3.38Å; I34-Y38 WeakPolarHBondContact O-CD2 3.28Å |
| 35 | A | 94.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.3 | -30.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F14 I31 S32 N37 Y38 G39 C41 F469 | F14-A35 HydrophobicContact CE2-CB 4.07Å; F14-A35 HydrophobicContact CZ-CB 4.34Å; I31-A35 PolarHBondContact O-N 3.15Å; S32-A35 PolarHBondContact O-N 2.81Å; A35-N37 PolarHBondContact O-N 2.84Å; A35-Y38 PolarHBondContact O-N 2.93Å; A35-G39 PolarHBondContact O-N 2.79Å; A35-C41 HydrophobicContact CB-CB 3.87Å; A35-F469 HydrophobicContact CB-CE1 4.1Å; A35-F469 HydrophobicContact CB-CE2 3.56Å; A35-F469 HydrophobicContact CB-CZ 3.33Å |
| 36 | F | 90.1 | Very high | 94.8 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 22% | 0.219 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -56.8 | -32.9 | 177.3 | -171.8 | -90.9 | 0 | 0 | 0 | 112.6 | S32 I34 Y38 G39 T411 F469 F497 | S32-F36 WeakPolarHBondContact O-CB 3.36Å; S32-F36 PolarHBondContact O-N 3.12Å; I34-F36 PolarHBondContact O-N 3.4Å; F36-Y38 PolarHBondContact O-N 2.81Å; F36-Y38 VanDerWaalsContact O-N 3.12Å; F36-G39 PolarHBondContact O-N 3.03Å; F36-T411 HydrophobicContact CE1-CG2 3.97Å; F36-T411 HydrophobicContact CE2-CG2 3.69Å; F36-T411 VanDerWaalsContact CZ-CB 3.42Å; F36-T411 HydrophobicContact CZ-CG2 3.26Å; F36-F469 HydrophobicContact CB-CD1 4.35Å; F36-F469 HydrophobicContact CD2-CB 4.34Å; F36-F469 HydrophobicContact CD2-CD1 4.23Å; F36-F497 HydrophobicContact CE2-CE1 4.26Å; F36-F497 HydrophobicContact CE2-CE2 4.4Å; F36-F497 AromaticContact CE2-CZ 3.69Å; F36-F497 HydrophobicContact CE2-CZ 3.69Å; F36-F497 HydrophobicContact CZ-CE1 4.12Å; F36-F497 AromaticContact CZ-CZ 3.7Å; F36-F497 HydrophobicContact CZ-CZ 3.7Å |
| 37 | N | 93.5 | Very high | 94.4 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -69.2 | -3.8 | 176.1 | -59.4 | -67.3 | 0 | 0 | 0 | 114.4 | P33 I34 A35 P410 | P33-N37 PolarHBondContact O-ND2 3.2Å; I34-N37 PolarHBondContact O-N 3.44Å; I34-N37 PolarHBondContact O-ND2 3.38Å; A35-N37 PolarHBondContact O-N 2.84Å; N37-P410 WeakPolarHBondContact O-CG 3.42Å |
| 38 | Y | 97.1 | Very high | 93.9 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 29% | 0.286 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -119.1 | -12.2 | 177.7 | -59.8 | -94.6 | 0 | 0 | 0 | 112.6 | P12 I34 A35 F36 I40 Y456 | P12-Y38 HydrophobicContact CG-CD1 4.47Å; P12-Y38 HydrophobicContact CG-CD2 3.72Å; P12-Y38 HydrophobicContact CG-CE2 4.11Å; P12-Y38 HydrophobicContact CG-CG 3.93Å; I34-Y38 WeakPolarHBondContact O-CD2 3.28Å; A35-Y38 PolarHBondContact O-N 2.93Å; F36-Y38 PolarHBondContact O-N 2.81Å; F36-Y38 VanDerWaalsContact O-N 3.12Å; Y38-I40 PolarHBondContact O-N 3.49Å; Y38-Y456 AromaticContact CD1-CD1 3.55Å; Y38-Y456 HydrophobicContact CD1-CD1 3.55Å; Y38-Y456 HydrophobicContact CD1-CD2 4Å; Y38-Y456 AromaticContact CD1-CE1 3.55Å; Y38-Y456 HydrophobicContact CD1-CE1 3.55Å; Y38-Y456 HydrophobicContact CD1-CE2 4.01Å; Y38-Y456 AromaticContact CD1-CG 3.79Å; Y38-Y456 HydrophobicContact CD1-CG 3.79Å; Y38-Y456 AromaticContact CD1-CZ 3.79Å; Y38-Y456 HydrophobicContact CE1-CD1 4.02Å; Y38-Y456 AromaticContact CE1-CE1 3.68Å; Y38-Y456 HydrophobicContact CE1-CE1 3.68Å |
| 39 | G | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 72.9 | -28.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A35 F36 F469 A472 | A35-G39 PolarHBondContact O-N 2.79Å; F36-G39 PolarHBondContact O-N 3.03Å; G39-F469 WeakPolarHBondContact O-CD2 3.18Å; G39-F469 PolarHBondContact O-N 3.42Å; G39-A472 VanDerWaalsContact CA-CB 3.49Å; G39-A472 WeakPolarHBondContact O-CB 3.21Å |
| 40 | I | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 152.3 | 171.9 | 65.1 | 176.7 | 0 | 0 | 0 | 110.7 | A11 Y38 W406 T458 V467 T468 H474 | A11-I40 HydrophobicContact CB-CD1 4.48Å; A11-I40 HydrophobicContact CB-CG1 3.98Å; Y38-I40 PolarHBondContact O-N 3.49Å; I40-W406 HydrophobicContact CD1-CB 3.84Å; I40-T458 HydrophobicContact CD1-CG2 4.18Å; I40-V467 VanDerWaalsContact CA-O 3.3Å; I40-V467 WeakPolarHBondContact CA-O 3.24Å; I40-T468 HydrophobicContact CG2-CG2 4.1Å; I40-H474 HydrophobicContact CG2-CB 4.15Å |
| 41 | C | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 162.4 | 165.5 | 70.3 | 0 | 0 | 0 | 0 | 112 | P12 F14 A35 V466 V467 F469 | P12-C41 HydrophobicContact CG-CB 4.02Å; F14-C41 HydrophobicContact CD2-CB 4.02Å; F14-C41 HydrophobicContact CE2-CB 3.74Å; A35-C41 HydrophobicContact CB-CB 3.87Å; C41-V466 WeakPolarHBondContact O-CA 3.33Å; C41-V467 PolarHBondContact N-O 2.88Å; C41-V467 PolarHBondContact O-N 3.07Å; C41-F469 HydrophobicContact CB-CE2 4.4Å |
| 42 | K | 98.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139.3 | 176.1 | -162.8 | 168 | 68.1 | 161.6 | 0 | 110.9 | P12 V13 F14 D459 E464 F465 V466 | P12-K42 PolarHBondContact O-N 3.11Å; V13-K42 CarbonylContact C-O 3.54Å; V13-K42 WeakPolarHBondContact CA-O 3.03Å; V13-K42 HydrophobicContact CG1-CB 4.42Å; V13-K42 HydrophobicContact CG2-CB 4.27Å; F14-K42 PolarHBondContact N-O 2.92Å; K42-D459 PolarHBondContact NZ-O 3.19Å; K42-E464 HydrophobicContact CD-CB 4.22Å; K42-E464 VanDerWaalsContact CD-OE2 3.24Å; K42-E464 WeakPolarHBondContact CD-OE2 3.39Å; K42-E464 VanDerWaalsContact CE-OE2 3.27Å; K42-E464 WeakPolarHBondContact CE-OE2 3.38Å; K42-E464 HydrophobicContact CG-CB 4.27Å; K42-E464 VanDerWaalsContact NZ-CD 3.28Å; K42-E464 IonicContact NZ-OE1 2.83Å; K42-E464 PolarHBondContact NZ-OE1 3.3Å; K42-E464 VanDerWaalsContact NZ-OE1 3.16Å; K42-E464 IonicContact NZ-OE2 2.73Å; K42-E464 PolarHBondContact NZ-OE2 3.15Å; K42-F465 CarbonylContact C-O 3.46Å; K42-F465 WeakPolarHBondContact CA-O 3.42Å; K42-F465 VanDerWaalsContact CG-O 3.28Å; K42-F465 WeakPolarHBondContact CG-O 3.31Å; K42-V466 HydrophobicContact CD-CG2 4.49Å; K42-V466 HydrophobicContact CG-CG2 4.12Å |
| 43 | I | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.7 | 177.9 | -54.2 | 177.2 | 0 | 0 | 0 | 109.2 | F14 P16 Y27 V28 I31 W346 F465 V467 | F14-I43 HydrophobicContact CB-CG1 4.47Å; F14-I43 WeakPolarHBondContact O-CA 3.47Å; P16-I43 HydrophobicContact CG-CG2 3.84Å; Y27-I43 HydrophobicContact CD1-CD1 4.22Å; Y27-I43 HydrophobicContact CE1-CD1 4.19Å; Y27-I43 HydrophobicContact CE1-CG2 4.39Å; V28-I43 HydrophobicContact CG2-CD1 4.28Å; I31-I43 HydrophobicContact CD1-CD1 4.04Å; I31-I43 HydrophobicContact CD1-CG1 4.37Å; I43-W346 HydrophobicContact CD1-CH2 4.17Å; I43-W346 HydrophobicContact CD1-CZ3 4.29Å; I43-W346 HydrophobicContact CG2-CH2 4.22Å; I43-W346 HydrophobicContact CG2-CZ3 4.38Å; I43-F465 HydrophobicContact CB-CB 4.21Å; I43-F465 PolarHBondContact N-O 3.43Å; I43-F465 PolarHBondContact O-N 3.28Å; I43-V467 HydrophobicContact CD1-CG2 3.84Å |
| 44 | R | 98.1 | Very high | 93.8 | Very high | 111 Ų | 111 | 50.2 Ų | 50.2 | 42% | 0.419 | 26% | 0.259 | S | S | . | . | trans | -102.2 | 114.2 | 175.8 | -77.1 | 175.1 | 164.7 | 178.3 | -3.3 | 110.1 | V13 F14 N15 P16 E464 | V13-R44 HydrophobicContact CG1-CG 4.14Å; F14-R44 PolarHBondContact O-N 2.82Å; N15-R44 WeakPolarHBondContact OD1-CB 3.05Å; N15-R44 WeakPolarHBondContact OD1-CD 2.86Å; P16-R44 VanDerWaalsContact CD-O 3.3Å; P16-R44 WeakPolarHBondContact CD-O 2.93Å; R44-E464 HydrophobicContact CG-CG 4.13Å; R44-E464 IonicContact CZ-OE1 2.66Å; R44-E464 VanDerWaalsContact CZ-OE1 3.3Å; R44-E464 IonicContact NE-OE1 2.84Å; R44-E464 PolarHBondContact NE-OE1 3.49Å; R44-E464 IonicContact NH2-OE1 2.72Å; R44-E464 PolarHBondContact NH2-OE1 3.08Å | ||
| 45 | P | 97 | Very high | 93.5 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | trans | -59.2 | 153.9 | 175.7 | -26.5 | 37.2 | 0 | 0 | 0 | 112.9 | F21 W49 G463 F465 | F21-P45 HydrophobicContact CE1-CB 4.34Å; F21-P45 HydrophobicContact CE2-CB 4.02Å; F21-P45 HydrophobicContact CE2-CG 4.26Å; F21-P45 HydrophobicContact CZ-CB 3.71Å; F21-P45 HydrophobicContact CZ-CG 4.01Å; P45-W49 HydrophobicContact CB-CB 4.08Å; P45-W49 HydrophobicContact CB-CD2 4.12Å; P45-W49 HydrophobicContact CB-CE3 3.55Å; P45-W49 HydrophobicContact CB-CG 4.37Å; P45-W49 HydrophobicContact CB-CZ3 4.29Å; P45-W49 HydrophobicContact CG-CE3 3.64Å; P45-W49 HydrophobicContact CG-CZ3 3.86Å; P45-G463 WeakPolarHBondContact CD-O 3.47Å; P45-G463 WeakPolarHBondContact CG-O 3.32Å; P45-F465 HydrophobicContact CG-CD2 3.75Å; P45-F465 HydrophobicContact CG-CE2 3.72Å | ||
| 46 | P | 95.1 | Very high | 93.2 | Very high | 24 Ų | 24 | 50.1 Ų | 50.1 | 16% | 0.156 | 26% | 0.26 | C | S | . | . | trans | -55.9 | 148.8 | 176.3 | -24.7 | 32.7 | 0 | 0 | 0 | 113.2 | P18 F21 G48 W49 | P18-P46 HydrophobicContact CG-CB 4.34Å; F21-P46 HydrophobicContact CB-CG 3.73Å; F21-P46 HydrophobicContact CD1-CG 4.15Å; F21-P46 HydrophobicContact CD2-CG 4.34Å; F21-P46 VanDerWaalsContact CG-CD 3.46Å; F21-P46 HydrophobicContact CG-CG 3.83Å; P46-G48 VanDerWaalsContact C-N 3.29Å; P46-G48 PolarHBondContact O-N 3Å; P46-W49 PolarHBondContact O-N 2.83Å | ||
| 47 | N | 84 | Confident | 93.2 | Very high | 179 Ų | 179 | 51 Ų | 51 | 96% | 0.957 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 79.9 | -179.2 | -82.7 | -34.1 | 0 | 0 | 0 | 112.9 | ||
| 48 | G | 84.3 | Confident | 92.9 | Very high | 53 Ų | 53 | 54 Ų | 54 | 55% | 0.546 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 158.6 | -28.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P46 K50 Y341 | P46-G48 VanDerWaalsContact C-N 3.29Å; P46-G48 PolarHBondContact O-N 3Å; G48-K50 PolarHBondContact O-N 3.2Å; G48-K50 VanDerWaalsContact O-N 3.13Å; G48-Y341 PolarHBondContact O-OH 3.33Å |
| 49 | W | 93 | Very high | 92.3 | Very high | 36 Ų | 36 | 56.1 Ų | 56.1 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | trans | -74.6 | 101.9 | 172 | -167.1 | 95.4 | 0 | 0 | 0 | 109.3 | F21 P45 P46 P51 F326 Y341 W346 Y397 F465 | F21-W49 HydrophobicContact CE1-CB 4.29Å; F21-W49 AromaticContact CE1-CD1 3.57Å; F21-W49 AromaticContact CE1-CD2 3.84Å; F21-W49 HydrophobicContact CE1-CD2 3.84Å; F21-W49 AromaticContact CE1-CE2 3.88Å; F21-W49 AromaticContact CE1-CG 3.67Å; F21-W49 HydrophobicContact CE1-CG 3.67Å; F21-W49 AromaticContact CE1-NE1 3.7Å; F21-W49 HydrophobicContact CZ-CD2 4.09Å; F21-W49 HydrophobicContact CZ-CE3 4.41Å; F21-W49 HydrophobicContact CZ-CG 4.32Å; P45-W49 HydrophobicContact CB-CB 4.08Å; P45-W49 HydrophobicContact CB-CD2 4.12Å; P45-W49 HydrophobicContact CB-CE3 3.55Å; P45-W49 HydrophobicContact CB-CG 4.37Å; P45-W49 HydrophobicContact CB-CZ3 4.29Å; P45-W49 HydrophobicContact CG-CE3 3.64Å; P45-W49 HydrophobicContact CG-CZ3 3.86Å; P46-W49 PolarHBondContact O-N 2.83Å; W49-P51 HydrophobicContact CE3-CG 4.32Å; W49-P51 HydrophobicContact CH2-CG 3.75Å; W49-P51 HydrophobicContact CZ2-CG 4.23Å; W49-P51 VanDerWaalsContact CZ3-CD 3.5Å; W49-P51 HydrophobicContact CZ3-CG 3.8Å; W49-F326 AromaticContact CH2-CE1 3.79Å; W49-F326 HydrophobicContact CH2-CE1 3.79Å; W49-F326 HydrophobicContact CH2-CZ 4.29Å; W49-F326 HydrophobicContact CZ2-CE1 4.13Å; W49-Y341 AromaticContact CD1-CE1 3.63Å; W49-Y341 HydrophobicContact CD2-CE1 4.16Å; W49-Y341 AromaticContact CG-CE1 3.95Å; W49-Y341 HydrophobicContact CG-CE1 3.95Å; W49-Y341 AromaticContact NE1-CD1 3.8Å; W49-Y341 AromaticContact NE1-CE1 3.66Å; W49-W346 HydrophobicContact CZ2-CB 3.84Å; W49-Y397 HydrophobicContact CH2-CE2 4.05Å; W49-Y397 HydrophobicContact CZ3-CD2 4.41Å; W49-Y397 AromaticContact CZ3-CE2 3.56Å; W49-Y397 HydrophobicContact CZ3-CE2 3.56Å; W49-Y397 AromaticContact CZ3-CZ 3.72Å; W49-F465 AromaticContact CH2-CE2 3.64Å; W49-F465 HydrophobicContact CH2-CE2 3.64Å; W49-F465 AromaticContact CH2-CZ 3.49Å; W49-F465 HydrophobicContact CH2-CZ 3.49Å; W49-F465 VanDerWaalsContact CH2-CZ 3.49Å; W49-F465 HydrophobicContact CZ2-CE2 4.45Å; W49-F465 HydrophobicContact CZ2-CZ 4.24Å; W49-F465 AromaticContact CZ3-CE2 3.69Å; W49-F465 HydrophobicContact CZ3-CE2 3.69Å; W49-F465 HydrophobicContact CZ3-CZ 4.02Å | ||
| 50 | K | 92.3 | Very high | 92.1 | Very high | 161 Ų | 161 | 56.6 Ų | 56.6 | 70% | 0.7 | 30% | 0.295 | S | S | * | . | trans | -141.2 | 86.7 | 179.8 | -68.4 | -173.1 | 179 | 179.5 | 0 | 108.1 | G48 Y341 | G48-K50 PolarHBondContact O-N 3.2Å; G48-K50 VanDerWaalsContact O-N 3.13Å; K50-Y341 PolarHBondContact N-OH 3.37Å; K50-Y341 PolarHBondContact O-OH 3.39Å | ||
| 51 | P | 93.2 | Very high | 91.8 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | trans | -63.5 | 144.2 | 179.4 | 26.7 | -35.6 | 0 | 0 | 0 | 110.8 | W49 F326 Y341 Y397 | W49-P51 HydrophobicContact CE3-CG 4.32Å; W49-P51 HydrophobicContact CH2-CG 3.75Å; W49-P51 HydrophobicContact CZ2-CG 4.23Å; W49-P51 VanDerWaalsContact CZ3-CD 3.5Å; W49-P51 HydrophobicContact CZ3-CG 3.8Å; P51-F326 HydrophobicContact CB-CD1 4.13Å; P51-F326 HydrophobicContact CB-CE1 4.24Å; P51-F326 HydrophobicContact CG-CD1 4.34Å; P51-F326 HydrophobicContact CG-CE1 3.97Å; P51-Y341 HydrophobicContact CB-CD1 3.78Å; P51-Y341 HydrophobicContact CB-CE1 4.16Å; P51-Y341 HydrophobicContact CB-CG 4Å; P51-Y397 HydrophobicContact CG-CE1 4.13Å; P51-Y397 WeakPolarHBondContact CG-OH 3.14Å | ||
| 52 | P | 91.1 | Very high | 91.6 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 31% | 0.312 | 31% | 0.309 | S | S | . | . | trans | -71.3 | 136 | 172.6 | 30.4 | -33.4 | 0 | 0 | 0 | 110.1 | C54 P327 | P52-C54 PolarHBondContact O-N 2.7Å; P52-C54 PolarHBondContact O-SG 3.46Å; P52-P327 HydrophobicContact CG-CG 4.27Å | ||
| 53 | F | 93.1 | Very high | 91.3 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 25% | 0.254 | 32% | 0.319 | S | S | . | . | trans | -72.1 | 115.8 | 172.4 | -175 | -118.1 | 0 | 0 | 0 | 110.1 | V55 Q57 L267 G325 H399 M400 F483 | F53-V55 HydrophobicContact CD1-CB 4.46Å; F53-V55 HydrophobicContact CE1-CB 3.78Å; F53-V55 HydrophobicContact CE1-CG1 4.27Å; F53-V55 HydrophobicContact CE2-CB 4.09Å; F53-V55 HydrophobicContact CE2-CG2 4.37Å; F53-V55 HydrophobicContact CZ-CB 3.6Å; F53-V55 HydrophobicContact CZ-CG1 4.11Å; F53-V55 HydrophobicContact CZ-CG2 4.27Å; F53-Q57 HydrophobicContact CE1-CG 4.22Å; F53-L267 HydrophobicContact CE1-CD2 4.25Å; F53-L267 HydrophobicContact CZ-CD2 4.03Å; F53-G325 WeakPolarHBondContact CA-O 3.43Å; F53-H399 HydrophobicContact CD2-CB 3.67Å; F53-H399 AromaticContact CD2-CG 3.95Å; F53-H399 HydrophobicContact CE2-CB 3.79Å; F53-M400 HydrophobicContact CD1-SD 4.19Å; F53-M400 HydrophobicContact CE1-CG 4.34Å; F53-M400 HydrophobicContact CE1-SD 3.67Å; F53-M400 HydrophobicContact CE2-CG 4.3Å; F53-M400 HydrophobicContact CZ-CG 4.11Å; F53-M400 HydrophobicContact CZ-SD 3.91Å; F53-F483 HydrophobicContact CE2-CB 4.4Å; F53-F483 AromaticContact CE2-CD1 3.61Å; F53-F483 HydrophobicContact CE2-CD1 3.61Å; F53-F483 HydrophobicContact CE2-CD2 4.37Å; F53-F483 AromaticContact CE2-CE1 3.85Å; F53-F483 HydrophobicContact CE2-CE1 3.85Å; F53-F483 AromaticContact CE2-CG 3.89Å; F53-F483 HydrophobicContact CE2-CG 3.89Å; F53-F483 HydrophobicContact CE2-CZ 4.31Å; F53-F483 HydrophobicContact CZ-CB 4.29Å; F53-F483 HydrophobicContact CZ-CD1 4.07Å; F53-F483 AromaticContact CZ-CD2 3.99Å; F53-F483 HydrophobicContact CZ-CD2 3.99Å; F53-F483 HydrophobicContact CZ-CE1 4.36Å; F53-F483 HydrophobicContact CZ-CE2 4.28Å; F53-F483 AromaticContact CZ-CG 3.87Å; F53-F483 HydrophobicContact CZ-CG 3.87Å; F53-F483 HydrophobicContact CZ-CZ 4.45Å | ||
| 54 | C | 90.7 | Very high | 91 | Very high | 34 Ų | 34 | 60.5 Ų | 60.5 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | trans | -99.5 | 8.2 | -169.6 | -75.1 | 0 | 0 | 0 | 0 | 115.1 | P52 G325 P327 | P52-C54 PolarHBondContact O-N 2.7Å; P52-C54 PolarHBondContact O-SG 3.46Å; C54-G325 PolarHBondContact N-O 2.82Å; C54-P327 VanDerWaalsContact SG-CA 3.54Å | ||
| 55 | V | 88.6 | Confident | 90.7 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 9% | 0.085 | 31% | 0.307 | C | S | . | . | trans | -91.8 | 122.9 | 176 | 167.3 | 0 | 0 | 0 | 0 | 111.4 | F53 Q57 F60 L267 G323 S324 F483 | F53-V55 HydrophobicContact CD1-CB 4.46Å; F53-V55 HydrophobicContact CE1-CB 3.78Å; F53-V55 HydrophobicContact CE1-CG1 4.27Å; F53-V55 HydrophobicContact CE2-CB 4.09Å; F53-V55 HydrophobicContact CE2-CG2 4.37Å; F53-V55 HydrophobicContact CZ-CB 3.6Å; F53-V55 HydrophobicContact CZ-CG1 4.11Å; F53-V55 HydrophobicContact CZ-CG2 4.27Å; V55-Q57 PolarHBondContact O-N 3.49Å; V55-F60 HydrophobicContact CB-CD2 4.41Å; V55-F60 HydrophobicContact CG1-CB 3.57Å; V55-F60 HydrophobicContact CG1-CD2 3.34Å; V55-F60 HydrophobicContact CG1-CE2 4.09Å; V55-F60 HydrophobicContact CG1-CG 3.6Å; V55-F60 HydrophobicContact CG2-CD2 4.15Å; V55-F60 HydrophobicContact CG2-CE2 4.29Å; V55-L267 HydrophobicContact CG1-CD2 3.87Å; V55-G323 WeakPolarHBondContact CG2-O 3.2Å; V55-S324 WeakPolarHBondContact CG2-O 3.43Å; V55-F483 HydrophobicContact CG1-CE2 4.48Å; V55-F483 HydrophobicContact CG2-CE2 4.41Å; V55-F483 HydrophobicContact CG2-CZ 4Å | ||
| 56 | D | 86.7 | Confident | 90.4 | Very high | 83 Ų | 83 | 57.1 Ų | 57.1 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | trans | -70.1 | 106.7 | 168.8 | 178.6 | -21.7 | 0 | 0 | 0 | 110.2 | Q58 N59 F60 | D56-Q58 PolarHBondContact O-N 3.22Å; D56-Q58 VanDerWaalsContact O-N 3.17Å; D56-Q58 WeakPolarHBondContact OD1-CA 2.99Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.45Å; D56-Q58 PolarHBondContact OD1-N 3.18Å; D56-N59 HydrophobicContact CB-CB 4.34Å; D56-N59 PolarHBondContact O-N 3.21Å; D56-N59 PolarHBondContact OD1-N 3.33Å; D56-N59 VanDerWaalsContact OD1-N 3.08Å; D56-N59 PolarHBondContact OD2-ND2 3.07Å; D56-F60 WeakPolarHBondContact O-CB 3.46Å; D56-F60 PolarHBondContact O-N 2.94Å | ||
| 57 | Q | 89.7 | Confident | 90.2 | Very high | 70 Ų | 70 | 56 Ų | 56 | 33% | 0.327 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -21.3 | -177.4 | -58.6 | -175.2 | -0.6 | 0 | 0 | 114.4 | F53 V55 L267 H268 M400 | F53-Q57 HydrophobicContact CE1-CG 4.22Å; V55-Q57 PolarHBondContact O-N 3.49Å; Q57-L267 HydrophobicContact CB-CB 4.38Å; Q57-L267 HydrophobicContact CB-CD2 4.47Å; Q57-L267 HydrophobicContact CB-CG 4.47Å; Q57-L267 HydrophobicContact CG-CD2 4.04Å; Q57-L267 HydrophobicContact CG-CG 4.4Å; Q57-L267 PolarHBondContact O-N 2.86Å; Q57-H268 HydrophobicContact CB-CB 4.24Å; Q57-H268 WeakPolarHBondContact O-CB 3.45Å; Q57-H268 PolarHBondContact O-N 3.15Å; Q57-M400 PolarHBondContact NE2-SD 3.39Å; Q57-M400 VanDerWaalsContact NE2-SD 3.39Å |
| 58 | Q | 87.8 | Confident | 90.5 | Very high | 138 Ų | 138 | 50.9 Ų | 50.9 | 65% | 0.645 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -36.6 | 179.3 | -57.8 | -171.4 | 13.5 | 0 | 0 | 111.6 | D56 T266 | D56-Q58 PolarHBondContact O-N 3.22Å; D56-Q58 VanDerWaalsContact O-N 3.17Å; D56-Q58 WeakPolarHBondContact OD1-CA 2.99Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.45Å; D56-Q58 PolarHBondContact OD1-N 3.18Å; Q58-T266 WeakPolarHBondContact O-CB 3.47Å; Q58-T266 WeakPolarHBondContact O-CG2 3.42Å |
| 59 | N | 84.9 | Confident | 90.7 | Very high | 118 Ų | 118 | 48.4 Ų | 48.4 | 63% | 0.631 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -23.5 | -176.7 | -72.6 | -63.5 | 0 | 0 | 0 | 114.5 | D56 T61 | D56-N59 HydrophobicContact CB-CB 4.34Å; D56-N59 PolarHBondContact O-N 3.21Å; D56-N59 PolarHBondContact OD1-N 3.33Å; D56-N59 VanDerWaalsContact OD1-N 3.08Å; D56-N59 PolarHBondContact OD2-ND2 3.07Å; N59-T61 PolarHBondContact O-N 2.95Å; N59-T61 VanDerWaalsContact O-N 3.09Å |
| 60 | F | 91.8 | Very high | 90.4 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 4% | 0.044 | 24% | 0.24 | C | C | . | . | trans | -62.2 | 111.2 | 172.5 | -174.8 | -82 | 0 | 0 | 0 | 109.9 | V55 D56 F62 T266 L267 L317 H322 V376 F483 | V55-F60 HydrophobicContact CB-CD2 4.41Å; V55-F60 HydrophobicContact CG1-CB 3.57Å; V55-F60 HydrophobicContact CG1-CD2 3.34Å; V55-F60 HydrophobicContact CG1-CE2 4.09Å; V55-F60 HydrophobicContact CG1-CG 3.6Å; V55-F60 HydrophobicContact CG2-CD2 4.15Å; V55-F60 HydrophobicContact CG2-CE2 4.29Å; D56-F60 WeakPolarHBondContact O-CB 3.46Å; D56-F60 PolarHBondContact O-N 2.94Å; F60-F62 AromaticContact CD1-CD1 3.94Å; F60-F62 HydrophobicContact CD1-CD1 3.94Å; F60-F62 HydrophobicContact CE1-CB 4.41Å; F60-F62 AromaticContact CE1-CD1 3.74Å; F60-F62 HydrophobicContact CE1-CD1 3.74Å; F60-F62 HydrophobicContact CE1-CE1 4.39Å; F60-F62 HydrophobicContact CE1-CG 4.32Å; F60-T266 CarbonylContact O-C 3.42Å; F60-T266 VanDerWaalsContact O-CA 3.22Å; F60-T266 WeakPolarHBondContact O-CA 3.35Å; F60-L267 HydrophobicContact CB-CB 4.32Å; F60-L267 HydrophobicContact CD1-CB 3.96Å; F60-L267 HydrophobicContact CG-CB 4.47Å; F60-L267 PolarHBondContact O-N 3.31Å; F60-L317 HydrophobicContact CE1-CD1 4.01Å; F60-L317 HydrophobicContact CZ-CD1 3.93Å; F60-H322 HydrophobicContact CD2-CB 4.39Å; F60-H322 VanDerWaalsContact CD2-O 3.22Å; F60-H322 WeakPolarHBondContact CD2-O 3.44Å; F60-H322 HydrophobicContact CE2-CB 3.65Å; F60-H322 WeakPolarHBondContact CE2-O 3.43Å; F60-H322 HydrophobicContact CZ-CB 3.99Å; F60-V376 HydrophobicContact CE1-CG2 4.28Å; F60-F483 HydrophobicContact CE1-CE2 4.2Å; F60-F483 AromaticContact CE2-CE2 3.99Å; F60-F483 HydrophobicContact CE2-CE2 3.99Å; F60-F483 HydrophobicContact CE2-CZ 4.27Å; F60-F483 AromaticContact CZ-CE2 3.72Å; F60-F483 HydrophobicContact CZ-CE2 3.72Å; F60-F483 HydrophobicContact CZ-CZ 4.28Å | ||
| 61 | T | 91.6 | Very high | 89.9 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 29% | 0.288 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 126.5 | -175.2 | 49.3 | 0 | 0 | 0 | 0 | 113.2 | N59 K264 Y265 T266 H322 | N59-T61 PolarHBondContact O-N 2.95Å; N59-T61 VanDerWaalsContact O-N 3.09Å; T61-K264 VanDerWaalsContact C-CE 3.48Å; T61-K264 WeakPolarHBondContact O-CE 3Å; T61-K264 PolarHBondContact O-NZ 3.05Å; T61-K264 PolarHBondContact OG1-NZ 3.28Å; T61-Y265 CarbonylContact C-O 3.57Å; T61-Y265 WeakPolarHBondContact CA-O 3.05Å; T61-T266 HydrophobicContact CG2-CG2 3.58Å; T61-H322 PolarHBondContact O-CE1 3.44Å |
| 62 | F | 93.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 166.8 | -175.1 | 68.7 | -77.5 | 0 | 0 | 0 | 111.6 | F60 P64 K264 Y265 F270 L317 V376 | F60-F62 AromaticContact CD1-CD1 3.94Å; F60-F62 HydrophobicContact CD1-CD1 3.94Å; F60-F62 HydrophobicContact CE1-CB 4.41Å; F60-F62 AromaticContact CE1-CD1 3.74Å; F60-F62 HydrophobicContact CE1-CD1 3.74Å; F60-F62 HydrophobicContact CE1-CE1 4.39Å; F60-F62 HydrophobicContact CE1-CG 4.32Å; F62-P64 HydrophobicContact CD2-CB 4.46Å; F62-P64 HydrophobicContact CE2-CB 4Å; F62-K264 WeakPolarHBondContact O-CA 3.49Å; F62-K264 WeakPolarHBondContact O-CG 3.48Å; F62-Y265 PolarHBondContact N-O 2.63Å; F62-Y265 PolarHBondContact O-N 3.46Å; F62-F270 HydrophobicContact CE1-CB 4.16Å; F62-F270 HydrophobicContact CE1-CG 4.4Å; F62-F270 HydrophobicContact CE2-CD2 4.3Å; F62-F270 HydrophobicContact CZ-CB 3.89Å; F62-F270 HydrophobicContact CZ-CD1 4.13Å; F62-F270 AromaticContact CZ-CD2 3.78Å; F62-F270 HydrophobicContact CZ-CD2 3.78Å; F62-F270 HydrophobicContact CZ-CE2 4.36Å; F62-F270 AromaticContact CZ-CG 3.65Å; F62-F270 HydrophobicContact CZ-CG 3.65Å; F62-L317 HydrophobicContact CB-CD1 3.87Å; F62-L317 HydrophobicContact CB-CD2 3.97Å; F62-L317 HydrophobicContact CD2-CD1 4.09Å; F62-L317 HydrophobicContact CG-CD1 3.97Å; F62-V376 HydrophobicContact CE1-CB 4.47Å; F62-V376 HydrophobicContact CE1-CG1 4.3Å; F62-V376 HydrophobicContact CE1-CG2 4.23Å; F62-V376 HydrophobicContact CE2-CB 4.2Å; F62-V376 HydrophobicContact CE2-CG2 4.44Å; F62-V376 HydrophobicContact CZ-CB 3.89Å; F62-V376 HydrophobicContact CZ-CG1 3.79Å; F62-V376 HydrophobicContact CZ-CG2 4.1Å |
| 63 | V | 92.4 | Very high | 89.4 | Confident | 46 Ų | 46 | 40.8 Ų | 40.8 | 28% | 0.279 | 21% | 0.211 | S | C | . | . | trans | -109.3 | 113.9 | 172.6 | 177.3 | 0 | 0 | 0 | 0 | 107 | S261 K264 | V63-S261 WeakPolarHBondContact CG1-O 3.46Å; V63-K264 HydrophobicContact CG2-CB 4.36Å; V63-K264 HydrophobicContact CG2-CG 3.99Å | ||
| 64 | P | 91.8 | Very high | 89 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -71.7 | 153.7 | 179.9 | 26.3 | -31.6 | 0 | 0 | 0 | 112.2 | F62 S260 S261 Y265 F270 E312 Y313 | F62-P64 HydrophobicContact CD2-CB 4.46Å; F62-P64 HydrophobicContact CE2-CB 4Å; P64-S260 CarbonylContact O-C 3.6Å; P64-S261 WeakPolarHBondContact O-CB 3.26Å; P64-S261 PolarHBondContact O-N 3.21Å; P64-Y265 HydrophobicContact CG-CD2 3.8Å; P64-Y265 HydrophobicContact CG-CE2 4.17Å; P64-F270 HydrophobicContact CB-CE2 4.27Å; P64-E312 HydrophobicContact CB-CB 4.04Å; P64-E312 HydrophobicContact CG-CB 4.24Å; P64-Y313 CarbonylContact C-O 3.54Å; P64-Y313 WeakPolarHBondContact CA-O 3.26Å; P64-Y313 VanDerWaalsContact CB-O 3.31Å; P64-Y313 WeakPolarHBondContact CB-O 3.2Å | ||
| 65 | R | 91.1 | Very high | 88.7 | Confident | 44 Ų | 44 | 39.4 Ų | 39.4 | 17% | 0.166 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 151.9 | 162.1 | -73.5 | -179.4 | -175.5 | 148.7 | 0.3 | 111.1 | F258 E312 Y313 D316 | R65-F258 HydrophobicContact CB-CB 4.29Å; R65-F258 WeakPolarHBondContact CB-O 3.29Å; R65-F258 WeakPolarHBondContact CG-O 3.2Å; R65-E312 CarbonylContact O-C 3.1Å; R65-E312 WeakPolarHBondContact O-CA 3.41Å; R65-Y313 HydrophobicContact CB-CD1 3.73Å; R65-Y313 HydrophobicContact CB-CE1 3.26Å; R65-Y313 HydrophobicContact CG-CE1 4.41Å; R65-Y313 PolarHBondContact N-O 2.87Å; R65-Y313 WeakPolarHBondContact O-CD1 3.42Å; R65-Y313 PolarHBondContact O-N 2.91Å; R65-D316 IonicContact CZ-OD2 2.6Å; R65-D316 IonicContact NH1-OD1 3.98Å; R65-D316 PolarHBondContact NH1-OD1 2.98Å; R65-D316 VanDerWaalsContact NH1-OD1 3.14Å; R65-D316 IonicContact NH1-OD2 3.79Å; R65-D316 PolarHBondContact NH1-OD2 2.86Å; R65-D316 IonicContact NH2-OD2 3.81Å; R65-D316 PolarHBondContact NH2-OD2 3.18Å |
| 66 | V | 91 | Very high | 88.4 | Confident | 17 Ų | 17 | 39.3 Ų | 39.3 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 135.6 | 178.5 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | K259 V311 E312 K2404 | V66-K259 WeakPolarHBondContact CB-O 3.43Å; V66-K259 WeakPolarHBondContact CG2-O 3.49Å; V66-K259 PolarHBondContact N-O 2.75Å; V66-V311 CarbonylContact C-O 3.56Å; V66-V311 WeakPolarHBondContact CA-O 3.45Å; V66-E312 HydrophobicContact CG2-CG 4.07Å; V66-K2404 HydrophobicContact CG2-CD 4.41Å |
| 67 | Q | 90.7 | Very high | 88 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 121.4 | 175.8 | -51 | -176.5 | -55.2 | 0 | 0 | 109.4 | F258 S310 V311 Y313 C382 | Q67-F258 HydrophobicContact CB-CD1 4.19Å; Q67-F258 HydrophobicContact CB-CE1 4.17Å; Q67-F258 HydrophobicContact CG-CD1 3.73Å; Q67-F258 HydrophobicContact CG-CE1 3.92Å; Q67-F258 HydrophobicContact CG-CG 4.07Å; Q67-F258 HydrophobicContact CG-CZ 4.4Å; Q67-S310 CarbonylContact O-C 3.51Å; Q67-S310 WeakPolarHBondContact O-CA 3.04Å; Q67-V311 HydrophobicContact CB-CG2 3.97Å; Q67-V311 PolarHBondContact N-O 2.66Å; Q67-V311 PolarHBondContact O-N 3.11Å; Q67-Y313 VanDerWaalsContact CD-CE1 3.4Å; Q67-Y313 HydrophobicContact CG-CD1 3.78Å; Q67-Y313 HydrophobicContact CG-CE1 3.42Å; Q67-Y313 VanDerWaalsContact CG-CE1 3.42Å; Q67-C382 PolarHBondContact NE2-O 2.75Å; Q67-C382 PolarHBondContact OE1-SG 3.4Å; Q67-C382 VanDerWaalsContact OE1-SG 3.39Å |
| 68 | E | 89.7 | Confident | 87.6 | Confident | 73 Ų | 73 | 34.1 Ų | 34.1 | 34% | 0.341 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 115.4 | 165.6 | -58.9 | -65.8 | 170.2 | 0 | 0 | 106.9 | S70 D71 V72 S310 | E68-S70 PolarHBondContact O-N 3.03Å; E68-D71 HydrophobicContact CB-CB 4.12Å; E68-D71 PolarHBondContact O-N 3.32Å; E68-V72 WeakPolarHBondContact O-CG2 3.4Å; E68-S310 VanDerWaalsContact OE2-CB 3.24Å; E68-S310 WeakPolarHBondContact OE2-CB 3.42Å |
| 69 | L | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.3 | -28.7 | -167.7 | -66.1 | 177.8 | 0 | 0 | 0 | 113.5 | F298 L301 V302 V309 V311 F380 | L69-F298 HydrophobicContact CD2-CE2 4.28Å; L69-L301 HydrophobicContact CD1-CB 4.01Å; L69-L301 HydrophobicContact CD1-CD1 3.86Å; L69-V302 HydrophobicContact CB-CG2 4.34Å; L69-V309 HydrophobicContact CD1-CB 4.34Å; L69-V309 HydrophobicContact CD1-CG1 3.72Å; L69-V309 HydrophobicContact CG-CG1 4.43Å; L69-V309 PolarHBondContact N-O 3.12Å; L69-V311 HydrophobicContact CD2-CG2 4.08Å; L69-F380 HydrophobicContact CD1-CB 3.9Å; L69-F380 HydrophobicContact CD1-CD2 4.33Å; L69-F380 HydrophobicContact CD1-CG 4.32Å; L69-F380 HydrophobicContact CD2-CB 4.41Å |
| 70 | S | 85.6 | Confident | 87.1 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 8% | 0.077 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.1 | -35.2 | 173.2 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | E68 V72 C73 N76 | E68-S70 PolarHBondContact O-N 3.03Å; S70-V72 VanDerWaalsContact C-N 3.28Å; S70-V72 PolarHBondContact O-N 3.12Å; S70-C73 PolarHBondContact O-N 2.68Å; S70-N76 VanDerWaalsContact O-CB 3.25Å; S70-N76 WeakPolarHBondContact O-CB 3.44Å; S70-N76 PolarHBondContact O-ND2 3.3Å |
| 71 | D | 82.1 | Confident | 86.4 | Confident | 75 Ų | 75 | 32.6 Ų | 32.6 | 40% | 0.401 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -78 | -13.4 | -174.7 | -71.9 | 11.2 | 0 | 0 | 0 | 112.7 | E68 R77 | E68-D71 HydrophobicContact CB-CB 4.12Å; E68-D71 PolarHBondContact O-N 3.32Å; D71-R77 WeakPolarHBondContact O-CG 3.4Å; D71-R77 PolarHBondContact O-NE 3.15Å |
| 72 | V | 85.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -78.8 | -29.7 | 177 | -160.8 | 0 | 0 | 0 | 0 | 111.4 | E68 S70 A74 F258 C384 M442 | E68-V72 WeakPolarHBondContact O-CG2 3.4Å; S70-V72 VanDerWaalsContact C-N 3.28Å; S70-V72 PolarHBondContact O-N 3.12Å; V72-A74 PolarHBondContact O-N 3.04Å; V72-F258 HydrophobicContact CG1-CZ 4.31Å; V72-F258 HydrophobicContact CG2-CE1 4.13Å; V72-F258 HydrophobicContact CG2-CZ 4.35Å; V72-C384 WeakPolarHBondContact CG1-SG 3.42Å; V72-M442 HydrophobicContact CB-CE 4.45Å; V72-M442 HydrophobicContact CG1-CB 3.74Å; V72-M442 HydrophobicContact CG1-CE 3.95Å; V72-M442 HydrophobicContact CG1-SD 4.48Å; V72-M442 PolarHBondContact O-N 2.92Å |
| 73 | C | 88.4 | Confident | 85.6 | Confident | 16 Ų | 16 | 33.4 Ų | 33.4 | 11% | 0.108 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -69.1 | 123.6 | -177.4 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | S70 Y75 N76 R77 V302 | S70-C73 PolarHBondContact O-N 2.68Å; C73-Y75 VanDerWaalsContact C-N 3.3Å; C73-Y75 PolarHBondContact O-N 3.03Å; C73-N76 HydrophobicContact CB-CB 3.99Å; C73-N76 PolarHBondContact O-N 3.49Å; C73-R77 PolarHBondContact O-N 3.09Å; C73-V302 HydrophobicContact CB-CG1 3.89Å; C73-V302 WeakPolarHBondContact CB-O 3.49Å |
| 74 | A | 84.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.8 | -41.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V72 R77 V78 V425 L428 T441 M442 V443 | V72-A74 PolarHBondContact O-N 3.04Å; A74-R77 WeakPolarHBondContact O-CB 3.41Å; A74-R77 PolarHBondContact O-N 3.19Å; A74-V78 PolarHBondContact O-N 3.41Å; A74-V78 VanDerWaalsContact O-N 3.07Å; A74-V425 HydrophobicContact CB-CB 4.38Å; A74-V425 HydrophobicContact CB-CG1 3.65Å; A74-V425 HydrophobicContact CB-CG2 3.96Å; A74-L428 HydrophobicContact CB-CD1 4.41Å; A74-T441 HydrophobicContact CB-CG2 3.45Å; A74-T441 VanDerWaalsContact CB-CG2 3.45Å; A74-M442 PolarHBondContact N-O 2.79Å; A74-V443 HydrophobicContact CB-CG2 3.69Å |
| 75 | Y | 83.4 | Confident | 84.8 | Confident | 62 Ų | 62 | 32.5 Ų | 32.5 | 24% | 0.243 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68 | -38.5 | -179.9 | -174.2 | -93.1 | 0 | 0 | 0 | 112.4 | C73 V78 R79 Y110 | C73-Y75 VanDerWaalsContact C-N 3.3Å; C73-Y75 PolarHBondContact O-N 3.03Å; Y75-V78 PolarHBondContact O-N 2.93Å; Y75-R79 WeakPolarHBondContact O-CB 3.39Å; Y75-R79 PolarHBondContact O-N 3.06Å; Y75-Y110 HydrophobicContact CE1-CE1 4.13Å; Y75-Y110 HydrophobicContact CE2-CE1 4.09Å; Y75-Y110 AromaticContact CZ-CE1 3.72Å |
| 76 | N | 82.5 | Confident | 84.6 | Confident | 13 Ų | 13 | 30.5 Ų | 30.5 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 173.8 | -71.1 | -11.5 | 0 | 0 | 0 | 111.3 | S70 C73 R79 Y80 S304 | S70-N76 VanDerWaalsContact O-CB 3.25Å; S70-N76 WeakPolarHBondContact O-CB 3.44Å; S70-N76 PolarHBondContact O-ND2 3.3Å; C73-N76 HydrophobicContact CB-CB 3.99Å; C73-N76 PolarHBondContact O-N 3.49Å; N76-R79 WeakPolarHBondContact O-CB 3.23Å; N76-R79 PolarHBondContact O-N 2.95Å; N76-Y80 VanDerWaalsContact O-CB 3.32Å; N76-Y80 WeakPolarHBondContact O-CB 3.41Å; N76-Y80 PolarHBondContact O-N 2.84Å; N76-S304 PolarHBondContact ND2-O 2.76Å |
| 77 | R | 80 | Confident | 84.2 | Confident | 36 Ų | 36 | 32.3 Ų | 32.3 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 173.4 | -78.8 | -177.5 | 170.8 | -161.4 | -12 | 112.5 | D71 C73 A74 Y80 H81 L428 T440 T441 | D71-R77 WeakPolarHBondContact O-CG 3.4Å; D71-R77 PolarHBondContact O-NE 3.15Å; C73-R77 PolarHBondContact O-N 3.09Å; A74-R77 WeakPolarHBondContact O-CB 3.41Å; A74-R77 PolarHBondContact O-N 3.19Å; R77-Y80 PolarHBondContact O-N 3.02Å; R77-H81 WeakPolarHBondContact O-CB 3.38Å; R77-H81 PolarHBondContact O-N 2.92Å; R77-L428 HydrophobicContact CB-CD1 4.04Å; R77-L428 HydrophobicContact CB-CD2 4.32Å; R77-T440 PolarHBondContact NH1-O 2.93Å; R77-T440 VanDerWaalsContact NH1-O 3.16Å; R77-T440 PolarHBondContact NH1-OG1 3.37Å; R77-T440 PolarHBondContact NH2-O 3.38Å; R77-T441 PolarHBondContact NH1-OG1 3.18Å |
| 78 | V | 81 | Confident | 84 | Confident | 7 Ų | 7 | 32.5 Ų | 32.5 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.7 | -48.6 | 175.4 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | A74 Y75 Y80 H81 F82 Y110 V425 E427 L428 | A74-V78 PolarHBondContact O-N 3.41Å; A74-V78 VanDerWaalsContact O-N 3.07Å; Y75-V78 PolarHBondContact O-N 2.93Å; V78-Y80 PolarHBondContact O-N 3.32Å; V78-H81 PolarHBondContact O-N 3.28Å; V78-F82 WeakPolarHBondContact O-CB 3.47Å; V78-F82 PolarHBondContact O-N 2.88Å; V78-Y110 HydrophobicContact CG1-CE2 3.81Å; V78-Y110 WeakPolarHBondContact CG1-OH 3.35Å; V78-V425 HydrophobicContact CG2-CB 3.93Å; V78-V425 HydrophobicContact CG2-CG1 3.79Å; V78-E427 HydrophobicContact CG1-CB 3.84Å; V78-E427 HydrophobicContact CG1-CG 3.96Å; V78-E427 HydrophobicContact CG2-CB 4.29Å; V78-L428 HydrophobicContact CG2-CD1 3.97Å; V78-L428 HydrophobicContact CG2-CG 3.77Å |
| 79 | R | 81.3 | Confident | 83.9 | Confident | 28 Ų | 28 | 29.1 Ų | 29.1 | 11% | 0.106 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.6 | -50.8 | 176.7 | 172.3 | -179.7 | -164.1 | 75.5 | -20.2 | 112 | Y75 N76 F82 I83 D108 Y110 E305 | Y75-R79 WeakPolarHBondContact O-CB 3.39Å; Y75-R79 PolarHBondContact O-N 3.06Å; N76-R79 WeakPolarHBondContact O-CB 3.23Å; N76-R79 PolarHBondContact O-N 2.95Å; R79-F82 PolarHBondContact O-N 3.27Å; R79-I83 HydrophobicContact CG-CD1 3.91Å; R79-I83 WeakPolarHBondContact O-CB 3.12Å; R79-I83 VanDerWaalsContact O-CG1 3.31Å; R79-I83 WeakPolarHBondContact O-CG1 3.37Å; R79-I83 PolarHBondContact O-N 3.48Å; R79-D108 IonicContact CZ-OD1 3.67Å; R79-D108 IonicContact CZ-OD2 3.2Å; R79-D108 IonicContact NH1-OD1 3.22Å; R79-D108 PolarHBondContact NH1-OD1 2.98Å; R79-D108 IonicContact NH1-OD2 2.83Å; R79-D108 PolarHBondContact NH1-OD2 3.28Å; R79-D108 IonicContact NH2-OD1 2.73Å; R79-D108 PolarHBondContact NH2-OD1 3.21Å; R79-D108 IonicContact NH2-OD2 2.92Å; R79-D108 PolarHBondContact NH2-OD2 3.28Å; R79-Y110 HydrophobicContact CB-CD1 3.72Å; R79-Y110 HydrophobicContact CB-CE1 3.9Å; R79-Y110 HydrophobicContact CB-CG 4.21Å; R79-Y110 HydrophobicContact CG-CD1 3.93Å; R79-Y110 HydrophobicContact CG-CG 4.28Å; R79-E305 VanDerWaalsContact CZ-CD 3.47Å; R79-E305 IonicContact CZ-OE1 2.64Å; R79-E305 IonicContact CZ-OE2 3.64Å; R79-E305 IonicContact NE-OE1 2.67Å; R79-E305 IonicContact NE-OE2 3.67Å; R79-E305 PolarHBondContact NE-OE2 3.47Å; R79-E305 IonicContact NH2-OE1 2.7Å; R79-E305 PolarHBondContact NH2-OE1 2.8Å; R79-E305 IonicContact NH2-OE2 3.74Å; R79-E305 PolarHBondContact NH2-OE2 2.65Å |
| 80 | Y | 79.7 | Confident | 83.7 | Confident | 152 Ų | 152 | 30.4 Ų | 30.4 | 60% | 0.596 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -65.4 | -41.4 | -179.5 | 179.2 | -95.1 | 0 | 0 | 0 | 111.8 | N76 R77 V78 I83 T84 | N76-Y80 VanDerWaalsContact O-CB 3.32Å; N76-Y80 WeakPolarHBondContact O-CB 3.41Å; N76-Y80 PolarHBondContact O-N 2.84Å; R77-Y80 PolarHBondContact O-N 3.02Å; V78-Y80 PolarHBondContact O-N 3.32Å; Y80-I83 PolarHBondContact O-N 3.24Å; Y80-T84 WeakPolarHBondContact CE1-OG1 3.4Å; Y80-T84 WeakPolarHBondContact O-CB 3.33Å; Y80-T84 PolarHBondContact O-N 3.03Å; Y80-T84 PolarHBondContact O-OG1 2.81Å |
| 81 | H | 77.8 | Confident | 83.4 | Confident | 54 Ų | 54 | 32.7 Ų | 32.7 | 25% | 0.25 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 176.9 | -173.9 | -102 | 0 | 0 | 0 | 111.8 | R77 V78 T84 S85 Y253 | R77-H81 WeakPolarHBondContact O-CB 3.38Å; R77-H81 PolarHBondContact O-N 2.92Å; V78-H81 PolarHBondContact O-N 3.28Å; H81-T84 PolarHBondContact O-N 3.32Å; H81-S85 VanDerWaalsContact O-CB 3.3Å; H81-S85 WeakPolarHBondContact O-CB 3.39Å; H81-S85 PolarHBondContact O-N 2.81Å; H81-Y253 AromaticContact CD2-CE1 3.96Å; H81-Y253 AromaticContact CD2-CZ 3.93Å; H81-Y253 AromaticContact CE1-CZ 3.61Å; H81-Y253 PolarHBondContact CE1-OH 2.91Å; H81-Y253 PolarHBondContact ND1-OH 2.9Å; H81-Y253 AromaticContact NE2-CE1 3.91Å; H81-Y253 AromaticContact NE2-CE2 3.85Å; H81-Y253 AromaticContact NE2-CZ 3.42Å; H81-Y253 PolarHBondContact NE2-OH 3.39Å |
| 82 | F | 84.7 | Confident | 83.3 | Confident | 15 Ų | 15 | 29.1 Ų | 29.1 | 7% | 0.066 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.4 | -50.7 | 174 | 172.8 | -94.5 | 0 | 0 | 0 | 112 | V78 R79 T84 S85 L86 I109 Y110 W113 L158 | V78-F82 WeakPolarHBondContact O-CB 3.47Å; V78-F82 PolarHBondContact O-N 2.88Å; R79-F82 PolarHBondContact O-N 3.27Å; F82-T84 VanDerWaalsContact C-N 3.3Å; F82-T84 PolarHBondContact O-N 2.89Å; F82-S85 PolarHBondContact O-N 3.22Å; F82-L86 HydrophobicContact CE1-CD2 4.16Å; F82-L86 HydrophobicContact CZ-CD2 4.29Å; F82-L86 WeakPolarHBondContact O-CB 3.36Å; F82-L86 PolarHBondContact O-N 3.1Å; F82-I109 HydrophobicContact CE1-CG2 4.35Å; F82-Y110 HydrophobicContact CB-CD2 3.76Å; F82-Y110 HydrophobicContact CB-CE2 4.28Å; F82-Y110 AromaticContact CD1-CD2 3.74Å; F82-Y110 HydrophobicContact CD1-CD2 3.74Å; F82-Y110 HydrophobicContact CD1-CG 4.19Å; F82-Y110 AromaticContact CG-CD2 3.74Å; F82-Y110 HydrophobicContact CG-CD2 3.74Å; F82-W113 AromaticContact CD2-CD2 3.77Å; F82-W113 HydrophobicContact CD2-CD2 3.77Å; F82-W113 AromaticContact CD2-CE2 3.98Å; F82-W113 AromaticContact CD2-CE3 3.79Å; F82-W113 HydrophobicContact CD2-CE3 3.79Å; F82-W113 HydrophobicContact CD2-CG 4.33Å; F82-W113 HydrophobicContact CD2-CH2 4.25Å; F82-W113 HydrophobicContact CD2-CZ2 4.22Å; F82-W113 HydrophobicContact CD2-CZ3 4.04Å; F82-W113 HydrophobicContact CE1-CB 4.04Å; F82-W113 HydrophobicContact CE1-CG 4.21Å; F82-W113 HydrophobicContact CE2-CB 4.15Å; F82-W113 AromaticContact CE2-CD1 3.65Å; F82-W113 AromaticContact CE2-CD2 3.27Å; F82-W113 HydrophobicContact CE2-CD2 3.27Å; F82-W113 AromaticContact CE2-CE2 3.45Å; F82-W113 VanDerWaalsContact CE2-CE2 3.45Å; F82-W113 AromaticContact CE2-CE3 3.79Å; F82-W113 HydrophobicContact CE2-CE3 3.79Å; F82-W113 AromaticContact CE2-CG 3.43Å; F82-W113 HydrophobicContact CE2-CG 3.43Å; F82-W113 VanDerWaalsContact CE2-CG 3.43Å; F82-W113 HydrophobicContact CE2-CZ2 4.09Å; F82-W113 HydrophobicContact CE2-CZ3 4.39Å; F82-W113 AromaticContact CE2-NE1 3.63Å; F82-W113 HydrophobicContact CG-CE3 4.3Å; F82-W113 HydrophobicContact CZ-CB 3.57Å; F82-W113 AromaticContact CZ-CD1 3.7Å; F82-W113 AromaticContact CZ-CD2 3.7Å; F82-W113 HydrophobicContact CZ-CD2 3.7Å; F82-W113 HydrophobicContact CZ-CE3 4.28Å; F82-W113 AromaticContact CZ-CG 3.35Å; F82-W113 HydrophobicContact CZ-CG 3.35Å; F82-L158 HydrophobicContact CE1-CD2 4.3Å; F82-L158 HydrophobicContact CZ-CD2 3.66Å |
| 83 | I | 84 | Confident | 83.1 | Confident | 52 Ų | 52 | 32.5 Ų | 32.5 | 27% | 0.267 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 179.7 | -69.2 | 170.8 | 0 | 0 | 0 | 110.6 | R79 Y80 L86 I87 | R79-I83 HydrophobicContact CG-CD1 3.91Å; R79-I83 WeakPolarHBondContact O-CB 3.12Å; R79-I83 VanDerWaalsContact O-CG1 3.31Å; R79-I83 WeakPolarHBondContact O-CG1 3.37Å; R79-I83 PolarHBondContact O-N 3.48Å; Y80-I83 PolarHBondContact O-N 3.24Å; I83-L86 PolarHBondContact O-N 3.27Å; I83-I87 HydrophobicContact CG2-CD1 3.8Å; I83-I87 WeakPolarHBondContact O-CB 3.23Å; I83-I87 VanDerWaalsContact O-CG1 3.26Å; I83-I87 WeakPolarHBondContact O-CG1 3.42Å; I83-I87 PolarHBondContact O-N 2.9Å |
| 84 | T | 81.4 | Confident | 82.4 | Confident | 20 Ų | 20 | 34.2 Ų | 34.2 | 12% | 0.123 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.4 | -43.5 | 175.4 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | Y80 H81 F82 I87 N88 | Y80-T84 WeakPolarHBondContact CE1-OG1 3.4Å; Y80-T84 WeakPolarHBondContact O-CB 3.33Å; Y80-T84 PolarHBondContact O-N 3.03Å; Y80-T84 PolarHBondContact O-OG1 2.81Å; H81-T84 PolarHBondContact O-N 3.32Å; F82-T84 VanDerWaalsContact C-N 3.3Å; F82-T84 PolarHBondContact O-N 2.89Å; T84-I87 PolarHBondContact O-N 3.3Å; T84-N88 WeakPolarHBondContact CG2-ND2 3.45Å; T84-N88 WeakPolarHBondContact O-CB 3.22Å; T84-N88 PolarHBondContact O-N 3.32Å; T84-N88 PolarHBondContact O-ND2 2.84Å |
| 85 | S | 85.1 | Confident | 81.9 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | H81 F82 N88 F89 H161 Y247 N251 | H81-S85 VanDerWaalsContact O-CB 3.3Å; H81-S85 WeakPolarHBondContact O-CB 3.39Å; H81-S85 PolarHBondContact O-N 2.81Å; F82-S85 PolarHBondContact O-N 3.22Å; S85-N88 PolarHBondContact O-N 2.91Å; S85-F89 WeakPolarHBondContact O-CB 3.32Å; S85-F89 PolarHBondContact O-N 3.24Å; S85-H161 PolarHBondContact OG-NE2 3.31Å; S85-H161 VanDerWaalsContact OG-NE2 3.14Å; S85-Y247 PolarHBondContact OG-OH 3.4Å; S85-N251 WeakPolarHBondContact CA-ND2 3.38Å; S85-N251 WeakPolarHBondContact CB-ND2 3.4Å; S85-N251 PolarHBondContact OG-ND2 3.47Å |
| 86 | L | 87.1 | Confident | 81.5 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 177.6 | -177.6 | 65.2 | 0 | 0 | 0 | 111.5 | F82 I83 F89 W90 L97 I109 L158 H161 | F82-L86 HydrophobicContact CE1-CD2 4.16Å; F82-L86 HydrophobicContact CZ-CD2 4.29Å; F82-L86 WeakPolarHBondContact O-CB 3.36Å; F82-L86 PolarHBondContact O-N 3.1Å; I83-L86 PolarHBondContact O-N 3.27Å; L86-F89 PolarHBondContact O-N 3.11Å; L86-W90 PolarHBondContact O-N 3.16Å; L86-L97 HydrophobicContact CD2-CD2 3.81Å; L86-L97 HydrophobicContact CG-CD2 3.84Å; L86-I109 HydrophobicContact CD2-CG2 3.69Å; L86-L158 HydrophobicContact CD1-CD2 4.19Å; L86-L158 HydrophobicContact CD2-CD2 3.79Å; L86-H161 HydrophobicContact CD1-CB 3.55Å |
| 87 | I | 84.2 | Confident | 81.2 | Confident | 54 Ų | 54 | 39.9 Ų | 39.9 | 28% | 0.277 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60 | -46.7 | 173.5 | -71.7 | 167.2 | 0 | 0 | 0 | 110.5 | I83 T84 F89 W90 E91 L97 | I83-I87 HydrophobicContact CG2-CD1 3.8Å; I83-I87 WeakPolarHBondContact O-CB 3.23Å; I83-I87 VanDerWaalsContact O-CG1 3.26Å; I83-I87 WeakPolarHBondContact O-CG1 3.42Å; I83-I87 PolarHBondContact O-N 2.9Å; T84-I87 PolarHBondContact O-N 3.3Å; I87-F89 VanDerWaalsContact C-N 3.3Å; I87-F89 PolarHBondContact O-N 2.96Å; I87-W90 PolarHBondContact O-N 3.45Å; I87-E91 HydrophobicContact CG2-CG 4.2Å; I87-E91 WeakPolarHBondContact O-CB 3.39Å; I87-E91 PolarHBondContact O-N 3.01Å; I87-L97 HydrophobicContact CG1-CD2 4.38Å |
| 88 | N | 84.6 | Confident | 80.8 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.2 | -25.4 | -177.7 | -72.4 | -10 | 0 | 0 | 0 | 113.1 | T84 S85 A92 L250 N251 R2422 | T84-N88 WeakPolarHBondContact CG2-ND2 3.45Å; T84-N88 WeakPolarHBondContact O-CB 3.22Å; T84-N88 PolarHBondContact O-N 3.32Å; T84-N88 PolarHBondContact O-ND2 2.84Å; S85-N88 PolarHBondContact O-N 2.91Å; N88-A92 VanDerWaalsContact O-CB 3.25Å; N88-A92 WeakPolarHBondContact O-CB 3.36Å; N88-A92 PolarHBondContact O-N 3.39Å; N88-L250 HydrophobicContact CB-CB 3.78Å; N88-L250 HydrophobicContact CB-CD1 4.18Å; N88-L250 PolarHBondContact ND2-O 3.37Å; N88-L250 VanDerWaalsContact ND2-O 3.12Å; N88-L250 WeakPolarHBondContact O-CD1 3.44Å; N88-N251 VanDerWaalsContact CB-OD1 3.27Å; N88-N251 WeakPolarHBondContact CB-OD1 3.34Å; N88-N251 PolarHBondContact ND2-OD1 3.41Å; N88-R2422 PolarHBondContact OD1-NH2 3.13Å |
| 89 | F | 87.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67 | -48.8 | 168.2 | 164.9 | -98.8 | 0 | 0 | 0 | 111.6 | S85 L86 I87 A92 Q93 P160 H161 F164 Y247 | S85-F89 WeakPolarHBondContact O-CB 3.32Å; S85-F89 PolarHBondContact O-N 3.24Å; L86-F89 PolarHBondContact O-N 3.11Å; I87-F89 VanDerWaalsContact C-N 3.3Å; I87-F89 PolarHBondContact O-N 2.96Å; F89-A92 WeakPolarHBondContact O-CB 3.5Å; F89-A92 PolarHBondContact O-N 3.2Å; F89-A92 VanDerWaalsContact O-N 3.16Å; F89-Q93 VanDerWaalsContact CE2-NE2 3.34Å; F89-Q93 PolarHBondContact O-N 3.2Å; F89-P160 HydrophobicContact CE1-CB 4.21Å; F89-P160 HydrophobicContact CZ-CB 4.11Å; F89-P160 WeakPolarHBondContact CZ-O 3.47Å; F89-H161 HydrophobicContact CD1-CB 3.82Å; F89-H161 HydrophobicContact CE1-CB 3.92Å; F89-H161 HydrophobicContact CG-CB 4.25Å; F89-H161 AromaticContact CG-CD2 3.68Å; F89-H161 HydrophobicContact CZ-CB 4.43Å; F89-F164 HydrophobicContact CD2-CB 4.19Å; F89-F164 AromaticContact CD2-CD1 3.72Å; F89-F164 HydrophobicContact CD2-CD1 3.72Å; F89-F164 HydrophobicContact CD2-CD2 4.2Å; F89-F164 HydrophobicContact CD2-CE1 4.11Å; F89-F164 AromaticContact CD2-CG 3.78Å; F89-F164 HydrophobicContact CD2-CG 3.78Å; F89-F164 HydrophobicContact CD2-CZ 4.49Å; F89-F164 HydrophobicContact CE2-CB 3.52Å; F89-F164 AromaticContact CE2-CD1 3.9Å; F89-F164 HydrophobicContact CE2-CD1 3.9Å; F89-F164 AromaticContact CE2-CD2 3.75Å; F89-F164 HydrophobicContact CE2-CD2 3.75Å; F89-F164 HydrophobicContact CE2-CE2 4.42Å; F89-F164 AromaticContact CE2-CG 3.45Å; F89-F164 HydrophobicContact CE2-CG 3.45Å; F89-F164 VanDerWaalsContact CE2-CG 3.45Å; F89-F164 HydrophobicContact CZ-CB 4.24Å; F89-Y247 HydrophobicContact CB-CD2 4.01Å; F89-Y247 HydrophobicContact CB-CE2 4.11Å |
| 90 | W | 86.8 | Confident | 80.1 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.9 | -40.2 | 176.6 | -68.1 | 109.8 | 0 | 0 | 0 | 111.7 | L86 I87 A92 Q93 D94 V95 L97 Y157 P160 | L86-W90 PolarHBondContact O-N 3.16Å; I87-W90 PolarHBondContact O-N 3.45Å; W90-A92 PolarHBondContact O-N 3.26Å; W90-Q93 CarbonylContact O-C 3.27Å; W90-Q93 WeakPolarHBondContact O-CA 3.45Å; W90-Q93 PolarHBondContact O-N 2.98Å; W90-D94 PolarHBondContact O-N 2.79Å; W90-V95 CarbonylContact C-O 3.2Å; W90-V95 HydrophobicContact CB-CB 4.35Å; W90-V95 HydrophobicContact CB-CG1 4.49Å; W90-V95 WeakPolarHBondContact CB-O 3.2Å; W90-V95 HydrophobicContact CD2-CG1 4.46Å; W90-V95 HydrophobicContact CE3-CB 3.99Å; W90-V95 HydrophobicContact CE3-CG1 3.81Å; W90-V95 HydrophobicContact CE3-CG2 4.43Å; W90-V95 HydrophobicContact CZ3-CG1 4.48Å; W90-V95 PolarHBondContact O-N 2.84Å; W90-V95 VanDerWaalsContact O-O 3.08Å; W90-L97 HydrophobicContact CB-CB 4.33Å; W90-L97 HydrophobicContact CG-CB 4.32Å; W90-Y157 PolarHBondContact NE1-O 2.8Å; W90-P160 HydrophobicContact CH2-CB 4.08Å; W90-P160 HydrophobicContact CH2-CG 4.04Å; W90-P160 HydrophobicContact CZ2-CB 4.23Å; W90-P160 HydrophobicContact CZ2-CG 4.2Å |
| 91 | E | 80.4 | Confident | 80 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 28% | 0.276 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.6 | -24.2 | 170.7 | -76.2 | -170.5 | -174.7 | 0 | 0 | 112.9 | I87 Q93 D94 V95 R246 L250 R2422 | I87-E91 HydrophobicContact CG2-CG 4.2Å; I87-E91 WeakPolarHBondContact O-CB 3.39Å; I87-E91 PolarHBondContact O-N 3.01Å; E91-Q93 VanDerWaalsContact C-N 3.25Å; E91-D94 PolarHBondContact O-N 3.28Å; E91-V95 PolarHBondContact N-O 2.99Å; E91-R246 PolarHBondContact O-NE 2.96Å; E91-R246 PolarHBondContact O-NH2 3.44Å; E91-L250 HydrophobicContact CB-CD1 4.33Å; E91-R2422 IonicContact OE1-NE 3.87Å; E91-R2422 IonicContact OE2-NE 3.6Å |
| 92 | A | 79.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.2 | -16.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | N88 F89 W90 I243 R246 | N88-A92 VanDerWaalsContact O-CB 3.25Å; N88-A92 WeakPolarHBondContact O-CB 3.36Å; N88-A92 PolarHBondContact O-N 3.39Å; F89-A92 WeakPolarHBondContact O-CB 3.5Å; F89-A92 PolarHBondContact O-N 3.2Å; F89-A92 VanDerWaalsContact O-N 3.16Å; W90-A92 PolarHBondContact O-N 3.26Å; A92-I243 HydrophobicContact CB-CG2 4.12Å; A92-R246 HydrophobicContact CB-CB 4.04Å; A92-R246 HydrophobicContact CB-CG 3.95Å |
| 93 | Q | 81.7 | Confident | 79.7 | Confident | 72 Ų | 72 | 51.2 Ų | 51.2 | 34% | 0.336 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 10.7 | 174.1 | -55.1 | -170.6 | 16.3 | 0 | 0 | 113 | F89 W90 E91 V95 I243 | F89-Q93 VanDerWaalsContact CE2-NE2 3.34Å; F89-Q93 PolarHBondContact O-N 3.2Å; W90-Q93 CarbonylContact O-C 3.27Å; W90-Q93 WeakPolarHBondContact O-CA 3.45Å; W90-Q93 PolarHBondContact O-N 2.98Å; E91-Q93 VanDerWaalsContact C-N 3.25Å; Q93-V95 HydrophobicContact CB-CG2 4.23Å; Q93-V95 PolarHBondContact O-N 3.39Å; Q93-I243 HydrophobicContact CG-CD1 4.25Å; Q93-I243 HydrophobicContact CG-CG2 4.15Å |
| 94 | D | 72.6 | Confident | 79.2 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 26.8 | -170.1 | -74 | -5 | 0 | 0 | 0 | 113.6 | W90 E91 N236 R246 | W90-D94 PolarHBondContact O-N 2.79Å; E91-D94 PolarHBondContact O-N 3.28Å; D94-N236 PolarHBondContact OD2-ND2 2.73Å; D94-R246 IonicContact OD1-CZ 3.34Å; D94-R246 IonicContact OD1-NH1 3.8Å; D94-R246 PolarHBondContact OD1-NH1 2.8Å; D94-R246 IonicContact OD1-NH2 3.55Å; D94-R246 PolarHBondContact OD1-NH2 3.42Å; D94-R246 IonicContact OD2-NH1 2.9Å |
| 95 | V | 73.7 | Confident | 78.8 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | trans | -106.2 | 132.5 | 177.6 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | W90 E91 Q93 | W90-V95 CarbonylContact C-O 3.2Å; W90-V95 HydrophobicContact CB-CB 4.35Å; W90-V95 HydrophobicContact CB-CG1 4.49Å; W90-V95 WeakPolarHBondContact CB-O 3.2Å; W90-V95 HydrophobicContact CD2-CG1 4.46Å; W90-V95 HydrophobicContact CE3-CB 3.99Å; W90-V95 HydrophobicContact CE3-CG1 3.81Å; W90-V95 HydrophobicContact CE3-CG2 4.43Å; W90-V95 HydrophobicContact CZ3-CG1 4.48Å; W90-V95 PolarHBondContact O-N 2.84Å; W90-V95 VanDerWaalsContact O-O 3.08Å; E91-V95 PolarHBondContact N-O 2.99Å; Q93-V95 HydrophobicContact CB-CG2 4.23Å; Q93-V95 PolarHBondContact O-N 3.39Å | ||
| 96 | T | 74.7 | Confident | 78.4 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 60% | 0.595 | 32% | 0.321 | S | S | * | . | trans | -90.8 | 117 | 175 | -43.7 | 0 | 0 | 0 | 0 | 111.3 | F98 | T96-F98 HydrophobicContact CG2-CE2 4.27Å; T96-F98 HydrophobicContact CG2-CZ 4.27Å | ||
| 97 | L | 75.9 | Confident | 78.2 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | trans | -76.5 | 135.1 | 172.6 | -174.8 | 67.9 | 0 | 0 | 0 | 111.1 | L86 I87 W90 Y157 | L86-L97 HydrophobicContact CD2-CD2 3.81Å; L86-L97 HydrophobicContact CG-CD2 3.84Å; I87-L97 HydrophobicContact CG1-CD2 4.38Å; W90-L97 HydrophobicContact CB-CB 4.33Å; W90-L97 HydrophobicContact CG-CB 4.32Å; L97-Y157 HydrophobicContact CD1-CD1 3.55Å; L97-Y157 HydrophobicContact CD1-CE1 4.18Å; L97-Y157 HydrophobicContact CD1-CG 4.28Å | ||
| 98 | F | 73.2 | Confident | 78.1 | Confident | 157 Ų | 157 | 60.6 Ų | 60.6 | 69% | 0.689 | 32% | 0.319 | S | S | * | . | trans | -113.5 | 146.3 | 169.6 | -66.1 | -88.3 | 0 | 0 | 0 | 109.7 | T96 P100 | T96-F98 HydrophobicContact CG2-CE2 4.27Å; T96-F98 HydrophobicContact CG2-CZ 4.27Å; F98-P100 WeakPolarHBondContact O-CD 3.4Å | ||
| 99 | V | 72.1 | Confident | 78.2 | Confident | 98 Ų | 98 | 61.3 Ų | 61.3 | 59% | 0.594 | 32% | 0.322 | S | S | * | . | trans | -62.2 | 118.8 | 178 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 100 | P | 74.1 | Confident | 78.1 | Confident | 14 Ų | 14 | 61.2 Ų | 61.2 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | trans | -70.6 | 143.2 | -177.1 | 28.9 | -33.6 | 0 | 0 | 0 | 111 | F98 I107 I109 H153 | F98-P100 WeakPolarHBondContact O-CD 3.4Å; P100-I107 HydrophobicContact CB-CD1 3.91Å; P100-I107 HydrophobicContact CB-CG1 4.49Å; P100-I107 HydrophobicContact CG-CB 4.33Å; P100-I107 HydrophobicContact CG-CD1 3.88Å; P100-I107 HydrophobicContact CG-CG1 4.32Å; P100-I107 PolarHBondContact O-N 2.79Å; P100-I109 HydrophobicContact CG-CD1 4.32Å; P100-I109 HydrophobicContact CG-CG1 4.14Å; P100-H153 VanDerWaalsContact CB-CD2 3.42Å; P100-H153 WeakPolarHBondContact CB-CD2 3.18Å | ||
| 101 | Q | 78 | Confident | 78.1 | Confident | 120 Ų | 120 | 65 Ų | 65 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.2 | 173.6 | -63.9 | -167.6 | -16.5 | 0 | 0 | 110.4 | R105 | Q101-R105 CarbonylContact C-O 3.39Å; Q101-R105 VanDerWaalsContact CA-O 3.23Å; Q101-R105 WeakPolarHBondContact CA-O 3.48Å |
| 102 | I | 79.4 | Confident | 78.6 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 115.9 | 168.4 | -66.5 | 168 | 0 | 0 | 0 | 107.4 | G104 R105 I107 F146 L150 | I102-G104 VanDerWaalsContact C-N 3.29Å; I102-G104 PolarHBondContact O-N 3.14Å; I102-R105 PolarHBondContact N-O 2.69Å; I102-R105 PolarHBondContact O-N 2.91Å; I102-R105 VanDerWaalsContact O-N 3.1Å; I102-I107 HydrophobicContact CD1-CD1 3.48Å; I102-I107 VanDerWaalsContact CD1-CD1 3.48Å; I102-I107 HydrophobicContact CD1-CG1 4.07Å; I102-I107 HydrophobicContact CG1-CD1 3.78Å; I102-I107 HydrophobicContact CG1-CG1 4.17Å; I102-F146 HydrophobicContact CB-CD1 4.42Å; I102-F146 HydrophobicContact CB-CE1 4.3Å; I102-F146 HydrophobicContact CG2-CD1 3.51Å; I102-F146 HydrophobicContact CG2-CE1 3.54Å; I102-F146 HydrophobicContact CG2-CG 4.38Å; I102-F146 HydrophobicContact CG2-CZ 4.43Å; I102-L150 HydrophobicContact CD1-CB 4.1Å; I102-L150 HydrophobicContact CD1-CD1 3.93Å |
| 103 | K | 78.2 | Confident | 79.2 | Confident | 136 Ų | 136 | 64.8 Ų | 64.8 | 59% | 0.591 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 46.8 | 178.8 | -56.7 | -178.1 | -174.8 | 177.2 | 0 | 112.8 | R105 S145 F146 | K103-R105 VanDerWaalsContact C-N 3.29Å; K103-R105 PolarHBondContact O-N 3.1Å; K103-S145 PolarHBondContact NZ-OG 2.71Å; K103-F146 HydrophobicContact CB-CZ 4.23Å; K103-F146 HydrophobicContact CD-CE2 3.87Å; K103-F146 HydrophobicContact CD-CZ 3.95Å; K103-F146 HydrophobicContact CG-CZ 4.46Å |
| 104 | G | 73.4 | Confident | 79.5 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 62% | 0.619 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -10.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | I102 | I102-G104 VanDerWaalsContact C-N 3.29Å; I102-G104 PolarHBondContact O-N 3.14Å |
| 105 | R | 71.8 | Confident | 80.3 | Confident | 149 Ų | 149 | 64.2 Ų | 64.2 | 56% | 0.562 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 126.5 | 169.9 | -69.2 | -170.3 | 177.3 | -165.2 | -1 | 110.3 | Q101 I102 K103 | Q101-R105 CarbonylContact C-O 3.39Å; Q101-R105 VanDerWaalsContact CA-O 3.23Å; Q101-R105 WeakPolarHBondContact CA-O 3.48Å; I102-R105 PolarHBondContact N-O 2.69Å; I102-R105 PolarHBondContact O-N 2.91Å; I102-R105 VanDerWaalsContact O-N 3.1Å; K103-R105 VanDerWaalsContact C-N 3.29Å; K103-R105 PolarHBondContact O-N 3.1Å |
| 106 | S | 77.8 | Confident | 81.2 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 132.8 | 167 | 46.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 107 | I | 81.8 | Confident | 81.9 | Confident | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.046 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 134.8 | 175.4 | -42.2 | 172.1 | 0 | 0 | 0 | 109.2 | P100 I102 I109 L112 L150 H153 | P100-I107 HydrophobicContact CB-CD1 3.91Å; P100-I107 HydrophobicContact CB-CG1 4.49Å; P100-I107 HydrophobicContact CG-CB 4.33Å; P100-I107 HydrophobicContact CG-CD1 3.88Å; P100-I107 HydrophobicContact CG-CG1 4.32Å; P100-I107 PolarHBondContact O-N 2.79Å; I102-I107 HydrophobicContact CD1-CD1 3.48Å; I102-I107 VanDerWaalsContact CD1-CD1 3.48Å; I102-I107 HydrophobicContact CD1-CG1 4.07Å; I102-I107 HydrophobicContact CG1-CD1 3.78Å; I102-I107 HydrophobicContact CG1-CG1 4.17Å; I107-I109 PolarHBondContact O-N 3.41Å; I107-I109 VanDerWaalsContact O-N 3.1Å; I107-L112 HydrophobicContact CG2-CB 4.26Å; I107-L112 HydrophobicContact CG2-CD2 4Å; I107-L150 HydrophobicContact CD1-CD1 4.21Å; I107-L150 HydrophobicContact CG2-CD1 4.07Å; I107-H153 HydrophobicContact CD1-CB 4.16Å |
| 108 | D | 81.5 | Confident | 82.3 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 19% | 0.193 | 32% | 0.316 | C | S | . | . | trans | -69.7 | 100.7 | 161.5 | -174.9 | -28.8 | 0 | 0 | 0 | 109.5 | R79 Y110 R111 L112 | R79-D108 IonicContact CZ-OD1 3.67Å; R79-D108 IonicContact CZ-OD2 3.2Å; R79-D108 IonicContact NH1-OD1 3.22Å; R79-D108 PolarHBondContact NH1-OD1 2.98Å; R79-D108 IonicContact NH1-OD2 2.83Å; R79-D108 PolarHBondContact NH1-OD2 3.28Å; R79-D108 IonicContact NH2-OD1 2.73Å; R79-D108 PolarHBondContact NH2-OD1 3.21Å; R79-D108 IonicContact NH2-OD2 2.92Å; R79-D108 PolarHBondContact NH2-OD2 3.28Å; D108-Y110 PolarHBondContact OD1-N 2.82Å; D108-R111 HydrophobicContact CB-CB 3.93Å; D108-R111 VanDerWaalsContact OD1-CB 3.29Å; D108-R111 WeakPolarHBondContact OD1-CB 3.39Å; D108-R111 PolarHBondContact OD1-N 3.5Å; D108-R111 WeakPolarHBondContact OD2-CB 3.39Å; D108-L112 WeakPolarHBondContact O-CB 3.45Å; D108-L112 PolarHBondContact O-N 2.93Å | ||
| 109 | I | 87.6 | Confident | 83.1 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -42 | -174.2 | -46.7 | 177.1 | 0 | 0 | 0 | 111.4 | F82 L86 P100 I107 W113 L158 | F82-I109 HydrophobicContact CE1-CG2 4.35Å; L86-I109 HydrophobicContact CD2-CG2 3.69Å; P100-I109 HydrophobicContact CG-CD1 4.32Å; P100-I109 HydrophobicContact CG-CG1 4.14Å; I107-I109 PolarHBondContact O-N 3.41Å; I107-I109 VanDerWaalsContact O-N 3.1Å; I109-W113 VanDerWaalsContact O-CB 3.3Å; I109-W113 WeakPolarHBondContact O-CB 3.42Å; I109-W113 PolarHBondContact O-N 3.34Å; I109-L158 HydrophobicContact CG2-CD1 4.1Å; I109-L158 HydrophobicContact CG2-CD2 3.82Å; I109-L158 HydrophobicContact CG2-CG 4.15Å |
| 110 | Y | 86 | Confident | 83.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.8 | -41.4 | -179 | 165.7 | -113.3 | 0 | 0 | 0 | 111.8 | Y75 V78 R79 F82 D108 W113 K114 | Y75-Y110 HydrophobicContact CE1-CE1 4.13Å; Y75-Y110 HydrophobicContact CE2-CE1 4.09Å; Y75-Y110 AromaticContact CZ-CE1 3.72Å; V78-Y110 HydrophobicContact CG1-CE2 3.81Å; V78-Y110 WeakPolarHBondContact CG1-OH 3.35Å; R79-Y110 HydrophobicContact CB-CD1 3.72Å; R79-Y110 HydrophobicContact CB-CE1 3.9Å; R79-Y110 HydrophobicContact CB-CG 4.21Å; R79-Y110 HydrophobicContact CG-CD1 3.93Å; R79-Y110 HydrophobicContact CG-CG 4.28Å; F82-Y110 HydrophobicContact CB-CD2 3.76Å; F82-Y110 HydrophobicContact CB-CE2 4.28Å; F82-Y110 AromaticContact CD1-CD2 3.74Å; F82-Y110 HydrophobicContact CD1-CD2 3.74Å; F82-Y110 HydrophobicContact CD1-CG 4.19Å; F82-Y110 AromaticContact CG-CD2 3.74Å; F82-Y110 HydrophobicContact CG-CD2 3.74Å; D108-Y110 PolarHBondContact OD1-N 2.82Å; Y110-W113 AromaticContact CD2-CE3 3.92Å; Y110-W113 HydrophobicContact CD2-CE3 3.92Å; Y110-W113 HydrophobicContact CD2-CZ3 4.27Å; Y110-W113 HydrophobicContact CE2-CE3 4.04Å; Y110-W113 AromaticContact CE2-CZ3 3.97Å; Y110-W113 HydrophobicContact CE2-CZ3 3.97Å; Y110-W113 WeakPolarHBondContact O-CB 3.24Å; Y110-W113 PolarHBondContact O-N 3.44Å; Y110-K114 HydrophobicContact CE2-CD 4.19Å; Y110-K114 WeakPolarHBondContact O-CB 3.22Å; Y110-K114 PolarHBondContact O-N 3.21Å; Y110-K114 WeakPolarHBondContact OH-CD 3.44Å; Y110-K114 PolarHBondContact OH-NZ 2.97Å |
| 111 | R | 86.4 | Confident | 84.4 | Confident | 108 Ų | 108 | 53.4 Ų | 53.4 | 41% | 0.408 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74.2 | -33.8 | -179.1 | -159.2 | 178.1 | 173.7 | 166.2 | -6.7 | 111.5 | D108 Q115 I138 | D108-R111 HydrophobicContact CB-CB 3.93Å; D108-R111 VanDerWaalsContact OD1-CB 3.29Å; D108-R111 WeakPolarHBondContact OD1-CB 3.39Å; D108-R111 PolarHBondContact OD1-N 3.5Å; D108-R111 WeakPolarHBondContact OD2-CB 3.39Å; R111-Q115 VanDerWaalsContact O-CB 3.32Å; R111-Q115 WeakPolarHBondContact O-CB 3.42Å; R111-Q115 PolarHBondContact O-N 3.07Å; R111-Q115 VanDerWaalsContact O-N 3.08Å; R111-I138 HydrophobicContact CB-CG2 3.95Å; R111-I138 HydrophobicContact CG-CG2 3.7Å |
| 112 | L | 91 | Very high | 85.1 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.4 | -50.1 | 165.2 | 169.9 | 60 | 0 | 0 | 0 | 111.3 | I107 D108 Q115 V116 W131 I134 I138 L150 Y154 L158 | I107-L112 HydrophobicContact CG2-CB 4.26Å; I107-L112 HydrophobicContact CG2-CD2 4Å; D108-L112 WeakPolarHBondContact O-CB 3.45Å; D108-L112 PolarHBondContact O-N 2.93Å; L112-Q115 PolarHBondContact O-N 3.2Å; L112-V116 HydrophobicContact CD1-CG2 4.04Å; L112-V116 WeakPolarHBondContact O-CG2 3.27Å; L112-V116 PolarHBondContact O-N 3.3Å; L112-W131 HydrophobicContact CD1-CZ3 4.26Å; L112-I134 HydrophobicContact CD1-CG2 4.28Å; L112-I138 HydrophobicContact CB-CD1 4.26Å; L112-I138 HydrophobicContact CD1-CD1 4.1Å; L112-L150 HydrophobicContact CD1-CD1 3.78Å; L112-L150 HydrophobicContact CD1-CD2 3.85Å; L112-L150 HydrophobicContact CD1-CG 3.75Å; L112-L150 HydrophobicContact CD2-CD1 3.77Å; L112-L150 HydrophobicContact CD2-CG 4.38Å; L112-L150 HydrophobicContact CG-CD1 4.37Å; L112-Y154 HydrophobicContact CD1-CD2 3.93Å; L112-Y154 HydrophobicContact CD1-CE2 4.39Å; L112-Y154 HydrophobicContact CD2-CD2 3.99Å; L112-Y154 HydrophobicContact CG-CD2 3.73Å; L112-Y154 HydrophobicContact CG-CE2 4.09Å; L112-L158 HydrophobicContact CD2-CD1 3.87Å; L112-L158 HydrophobicContact CG-CD1 4.06Å |
| 113 | W | 91.7 | Very high | 85.5 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 19% | 0.189 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.9 | -54.8 | 178.4 | 173 | 81 | 0 | 0 | 0 | 111.7 | F82 I109 Y110 Q115 V116 Q117 L158 D162 | F82-W113 AromaticContact CD2-CD2 3.77Å; F82-W113 HydrophobicContact CD2-CD2 3.77Å; F82-W113 AromaticContact CD2-CE2 3.98Å; F82-W113 AromaticContact CD2-CE3 3.79Å; F82-W113 HydrophobicContact CD2-CE3 3.79Å; F82-W113 HydrophobicContact CD2-CG 4.33Å; F82-W113 HydrophobicContact CD2-CH2 4.25Å; F82-W113 HydrophobicContact CD2-CZ2 4.22Å; F82-W113 HydrophobicContact CD2-CZ3 4.04Å; F82-W113 HydrophobicContact CE1-CB 4.04Å; F82-W113 HydrophobicContact CE1-CG 4.21Å; F82-W113 HydrophobicContact CE2-CB 4.15Å; F82-W113 AromaticContact CE2-CD1 3.65Å; F82-W113 AromaticContact CE2-CD2 3.27Å; F82-W113 HydrophobicContact CE2-CD2 3.27Å; F82-W113 AromaticContact CE2-CE2 3.45Å; F82-W113 VanDerWaalsContact CE2-CE2 3.45Å; F82-W113 AromaticContact CE2-CE3 3.79Å; F82-W113 HydrophobicContact CE2-CE3 3.79Å; F82-W113 AromaticContact CE2-CG 3.43Å; F82-W113 HydrophobicContact CE2-CG 3.43Å; F82-W113 VanDerWaalsContact CE2-CG 3.43Å; F82-W113 HydrophobicContact CE2-CZ2 4.09Å; F82-W113 HydrophobicContact CE2-CZ3 4.39Å; F82-W113 AromaticContact CE2-NE1 3.63Å; F82-W113 HydrophobicContact CG-CE3 4.3Å; F82-W113 HydrophobicContact CZ-CB 3.57Å; F82-W113 AromaticContact CZ-CD1 3.7Å; F82-W113 AromaticContact CZ-CD2 3.7Å; F82-W113 HydrophobicContact CZ-CD2 3.7Å; F82-W113 HydrophobicContact CZ-CE3 4.28Å; F82-W113 AromaticContact CZ-CG 3.35Å; F82-W113 HydrophobicContact CZ-CG 3.35Å; I109-W113 VanDerWaalsContact O-CB 3.3Å; I109-W113 WeakPolarHBondContact O-CB 3.42Å; I109-W113 PolarHBondContact O-N 3.34Å; Y110-W113 AromaticContact CD2-CE3 3.92Å; Y110-W113 HydrophobicContact CD2-CE3 3.92Å; Y110-W113 HydrophobicContact CD2-CZ3 4.27Å; Y110-W113 HydrophobicContact CE2-CE3 4.04Å; Y110-W113 AromaticContact CE2-CZ3 3.97Å; Y110-W113 HydrophobicContact CE2-CZ3 3.97Å; Y110-W113 WeakPolarHBondContact O-CB 3.24Å; Y110-W113 PolarHBondContact O-N 3.44Å; W113-Q115 VanDerWaalsContact C-N 3.29Å; W113-Q115 PolarHBondContact O-N 2.7Å; W113-V116 PolarHBondContact O-N 2.87Å; W113-Q117 HydrophobicContact CD2-CG 4.28Å; W113-Q117 HydrophobicContact CG-CG 4.44Å; W113-Q117 HydrophobicContact CZ2-CG 4.19Å; W113-Q117 WeakPolarHBondContact O-CG 3.33Å; W113-Q117 PolarHBondContact O-N 3.45Å; W113-L158 HydrophobicContact CB-CD1 4.21Å; W113-L158 HydrophobicContact CB-CD2 4.22Å; W113-D162 VanDerWaalsContact CD1-OD1 3.27Å; W113-D162 PolarHBondContact NE1-OD1 2.95Å |
| 114 | K | 87.8 | Confident | 86.1 | Confident | 59 Ų | 59 | 51.1 Ų | 51.1 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.9 | -38 | -178.6 | -172.1 | 151.8 | -176.8 | 151.6 | 0 | 112.1 | Y110 S118 E427 | Y110-K114 HydrophobicContact CE2-CD 4.19Å; Y110-K114 WeakPolarHBondContact O-CB 3.22Å; Y110-K114 PolarHBondContact O-N 3.21Å; Y110-K114 WeakPolarHBondContact OH-CD 3.44Å; Y110-K114 PolarHBondContact OH-NZ 2.97Å; K114-S118 WeakPolarHBondContact O-CB 3.4Å; K114-S118 PolarHBondContact O-N 3.19Å; K114-S118 PolarHBondContact O-OG 3.04Å; K114-E427 IonicContact NZ-OE1 2.92Å; K114-E427 PolarHBondContact NZ-OE1 3.14Å; K114-E427 IonicContact NZ-OE2 2.7Å |
| 115 | Q | 90.2 | Very high | 87 | Confident | 51 Ų | 51 | 48.2 Ų | 48.2 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -76.6 | -32.5 | 179 | -161.4 | 62.5 | 13.2 | 0 | 0 | 113.8 | R111 L112 W113 S118 T119 I134 E137 | R111-Q115 VanDerWaalsContact O-CB 3.32Å; R111-Q115 WeakPolarHBondContact O-CB 3.42Å; R111-Q115 PolarHBondContact O-N 3.07Å; R111-Q115 VanDerWaalsContact O-N 3.08Å; L112-Q115 PolarHBondContact O-N 3.2Å; W113-Q115 VanDerWaalsContact C-N 3.29Å; W113-Q115 PolarHBondContact O-N 2.7Å; Q115-S118 WeakPolarHBondContact CA-OG 3.41Å; Q115-S118 PolarHBondContact O-OG 3.34Å; Q115-S118 VanDerWaalsContact O-OG 3.1Å; Q115-S118 PolarHBondContact OE1-OG 2.97Å; Q115-T119 WeakPolarHBondContact O-CB 3.49Å; Q115-T119 PolarHBondContact O-N 3.17Å; Q115-T119 PolarHBondContact O-OG1 3.43Å; Q115-I134 HydrophobicContact CB-CG2 4.33Å; Q115-I134 HydrophobicContact CG-CG1 4.32Å; Q115-I134 HydrophobicContact CG-CG2 4.21Å; Q115-E137 HydrophobicContact CG-CB 4.1Å; Q115-E137 PolarHBondContact NE2-OE1 3.29Å; Q115-E137 PolarHBondContact NE2-OE2 3.15Å |
| 116 | V | 92.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70 | -41 | 171.4 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | L112 W113 T119 G120 G121 V125 W131 I134 Y154 | L112-V116 HydrophobicContact CD1-CG2 4.04Å; L112-V116 WeakPolarHBondContact O-CG2 3.27Å; L112-V116 PolarHBondContact O-N 3.3Å; W113-V116 PolarHBondContact O-N 2.87Å; V116-T119 CarbonylContact O-C 3.46Å; V116-T119 PolarHBondContact O-N 3.14Å; V116-G120 PolarHBondContact O-N 3.44Å; V116-G121 WeakPolarHBondContact O-CA 3.49Å; V116-G121 PolarHBondContact O-N 3.36Å; V116-V125 HydrophobicContact CG1-CG2 4.12Å; V116-W131 HydrophobicContact CG1-CH2 4.46Å; V116-W131 HydrophobicContact CG2-CH2 3.7Å; V116-W131 HydrophobicContact CG2-CZ3 3.73Å; V116-I134 HydrophobicContact CB-CD1 4.38Å; V116-I134 HydrophobicContact CG2-CD1 3.62Å; V116-I134 HydrophobicContact CG2-CG2 4.37Å; V116-Y154 HydrophobicContact CB-CD2 4.19Å; V116-Y154 HydrophobicContact CB-CE2 3.39Å; V116-Y154 HydrophobicContact CG1-CD2 4.34Å; V116-Y154 HydrophobicContact CG1-CE1 4.05Å; V116-Y154 HydrophobicContact CG1-CE2 3.63Å; V116-Y154 VanDerWaalsContact CG1-CZ 3.45Å; V116-Y154 WeakPolarHBondContact CG1-OH 3.46Å; V116-Y154 HydrophobicContact CG2-CD2 3.75Å; V116-Y154 HydrophobicContact CG2-CE2 3.44Å; V116-Y154 VanDerWaalsContact CG2-CE2 3.44Å |
| 117 | Q | 88.8 | Confident | 88.4 | Confident | 74 Ų | 74 | 45.8 Ų | 45.8 | 35% | 0.346 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.4 | -43.2 | 177.9 | -67.2 | -63.2 | 1.8 | 0 | 0 | 112.4 | W113 T119 G120 D162 | W113-Q117 HydrophobicContact CD2-CG 4.28Å; W113-Q117 HydrophobicContact CG-CG 4.44Å; W113-Q117 HydrophobicContact CZ2-CG 4.19Å; W113-Q117 WeakPolarHBondContact O-CG 3.33Å; W113-Q117 PolarHBondContact O-N 3.45Å; Q117-T119 PolarHBondContact O-N 3.1Å; Q117-T119 VanDerWaalsContact O-N 3.17Å; Q117-G120 PolarHBondContact O-N 2.98Å; Q117-D162 VanDerWaalsContact NE2-CG 3.28Å; Q117-D162 PolarHBondContact NE2-OD1 2.77Å |
| 118 | S | 85.5 | Confident | 88.8 | Confident | 82 Ų | 82 | 52 Ų | 52 | 57% | 0.573 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63 | -20.8 | 173.6 | 67.9 | 0 | 0 | 0 | 0 | 113.7 | K114 Q115 G120 | K114-S118 WeakPolarHBondContact O-CB 3.4Å; K114-S118 PolarHBondContact O-N 3.19Å; K114-S118 PolarHBondContact O-OG 3.04Å; Q115-S118 WeakPolarHBondContact CA-OG 3.41Å; Q115-S118 PolarHBondContact O-OG 3.34Å; Q115-S118 VanDerWaalsContact O-OG 3.1Å; Q115-S118 PolarHBondContact OE1-OG 2.97Å; S118-G120 VanDerWaalsContact C-N 3.33Å |
| 119 | T | 89.6 | Confident | 89.2 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 17% | 0.166 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 8.9 | 174.7 | -48.8 | 0 | 0 | 0 | 0 | 112.8 | Q115 V116 Q117 T124 V125 L130 | Q115-T119 WeakPolarHBondContact O-CB 3.49Å; Q115-T119 PolarHBondContact O-N 3.17Å; Q115-T119 PolarHBondContact O-OG1 3.43Å; V116-T119 CarbonylContact O-C 3.46Å; V116-T119 PolarHBondContact O-N 3.14Å; Q117-T119 PolarHBondContact O-N 3.1Å; Q117-T119 VanDerWaalsContact O-N 3.17Å; T119-T124 WeakPolarHBondContact O-CG2 3.44Å; T119-V125 HydrophobicContact CG2-CG2 3.74Å; T119-L130 HydrophobicContact CG2-CB 4.34Å; T119-L130 HydrophobicContact CG2-CD1 3.37Å; T119-L130 HydrophobicContact CG2-CG 4.47Å |
| 120 | G | 84.8 | Confident | 89.5 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 47% | 0.474 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 22.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V116 Q117 S118 T124 | V116-G120 PolarHBondContact O-N 3.44Å; Q117-G120 PolarHBondContact O-N 2.98Å; S118-G120 VanDerWaalsContact C-N 3.33Å; G120-T124 WeakPolarHBondContact O-CB 3.43Å; G120-T124 PolarHBondContact O-OG1 3.31Å |
| 121 | G | 88.3 | Confident | 89.9 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 9% | 0.093 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | 83.7 | 168.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V116 Q123 T124 V125 | V116-G121 WeakPolarHBondContact O-CA 3.49Å; V116-G121 PolarHBondContact O-N 3.36Å; G121-Q123 VanDerWaalsContact C-N 3.26Å; G121-Q123 PolarHBondContact O-N 3.33Å; G121-Q123 VanDerWaalsContact O-N 3.14Å; G121-T124 PolarHBondContact O-N 2.81Å; G121-V125 WeakPolarHBondContact O-CG2 3.48Å; G121-V125 PolarHBondContact O-N 3.2Å; G121-V125 VanDerWaalsContact O-N 3.1Å |
| 122 | Y | 92.1 | Very high | 90.1 | Very high | 36 Ų | 36 | 57.8 Ų | 57.8 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -50.6 | -42.7 | -172.1 | 178.3 | -95.6 | 0 | 0 | 0 | 113.8 | V125 C126 W131 S151 Y154 K155 L159 | Y122-V125 PolarHBondContact O-N 3.19Å; Y122-C126 VanDerWaalsContact CE1-SG 3.55Å; Y122-C126 PolarHBondContact O-N 2.96Å; Y122-C126 PolarHBondContact O-SG 3.31Å; Y122-W131 AromaticContact CD2-CH2 3.71Å; Y122-W131 HydrophobicContact CD2-CH2 3.71Å; Y122-W131 AromaticContact CD2-CZ2 3.39Å; Y122-W131 HydrophobicContact CD2-CZ2 3.39Å; Y122-W131 AromaticContact CE2-CH2 3.88Å; Y122-W131 HydrophobicContact CE2-CH2 3.88Å; Y122-W131 AromaticContact CE2-CZ2 3.38Å; Y122-W131 HydrophobicContact CE2-CZ2 3.38Å; Y122-W131 HydrophobicContact CG-CZ2 4.37Å; Y122-S151 PolarHBondContact OH-OG 3.43Å; Y122-S151 VanDerWaalsContact OH-OG 3.09Å; Y122-Y154 AromaticContact CD2-CD1 3.43Å; Y122-Y154 HydrophobicContact CD2-CD1 3.43Å; Y122-Y154 VanDerWaalsContact CD2-CD1 3.43Å; Y122-Y154 HydrophobicContact CD2-CE1 4.15Å; Y122-Y154 AromaticContact CD2-CG 3.9Å; Y122-Y154 HydrophobicContact CD2-CG 3.9Å; Y122-Y154 HydrophobicContact CE2-CD1 4.27Å; Y122-Y154 HydrophobicContact CE2-CG 4.47Å; Y122-Y154 HydrophobicContact CG-CD1 4.12Å; Y122-Y154 HydrophobicContact CG-CE1 4.49Å; Y122-K155 HydrophobicContact CE1-CG 4.49Å; Y122-K155 HydrophobicContact CE2-CB 4.02Å; Y122-L159 HydrophobicContact CD1-CD1 4.17Å; Y122-L159 HydrophobicContact CD1-CD2 3.77Å; Y122-L159 HydrophobicContact CE1-CD2 4.01Å; Y122-L159 HydrophobicContact CG-CD1 4.13Å; Y122-L159 HydrophobicContact CG-CD2 4.26Å |
| 123 | Q | 88.8 | Confident | 90.1 | Very high | 141 Ų | 141 | 63.1 Ų | 63.1 | 66% | 0.659 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70.1 | -50.5 | -173.2 | -158.6 | 154.4 | -27.1 | 0 | 0 | 111.2 | G121 V125 C126 E127 | G121-Q123 VanDerWaalsContact C-N 3.26Å; G121-Q123 PolarHBondContact O-N 3.33Å; G121-Q123 VanDerWaalsContact O-N 3.14Å; Q123-V125 VanDerWaalsContact C-N 3.29Å; Q123-V125 PolarHBondContact O-N 3.21Å; Q123-C126 WeakPolarHBondContact O-CB 3.43Å; Q123-C126 PolarHBondContact O-N 3.13Å; Q123-E127 WeakPolarHBondContact O-CG 3.5Å; Q123-E127 PolarHBondContact O-N 3.43Å |
| 124 | T | 90.1 | Very high | 90.1 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.6 | -41.8 | 172.1 | -53.4 | 0 | 0 | 0 | 0 | 112.6 | T119 G120 G121 K128 | T119-T124 WeakPolarHBondContact O-CG2 3.44Å; G120-T124 WeakPolarHBondContact O-CB 3.43Å; G120-T124 PolarHBondContact O-OG1 3.31Å; G121-T124 PolarHBondContact O-N 2.81Å; T124-K128 HydrophobicContact CG2-CD 3.81Å; T124-K128 HydrophobicContact CG2-CG 4.49Å; T124-K128 VanDerWaalsContact O-CB 3.32Å; T124-K128 WeakPolarHBondContact O-CB 3.45Å; T124-K128 WeakPolarHBondContact O-CG 3.25Å; T124-K128 PolarHBondContact O-N 3.41Å |
| 125 | V | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -34.9 | 177.8 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | V116 T119 G121 Y122 Q123 K129 L130 W131 I134 | V116-V125 HydrophobicContact CG1-CG2 4.12Å; T119-V125 HydrophobicContact CG2-CG2 3.74Å; G121-V125 WeakPolarHBondContact O-CG2 3.48Å; G121-V125 PolarHBondContact O-N 3.2Å; G121-V125 VanDerWaalsContact O-N 3.1Å; Y122-V125 PolarHBondContact O-N 3.19Å; Q123-V125 VanDerWaalsContact C-N 3.29Å; Q123-V125 PolarHBondContact O-N 3.21Å; V125-K129 CarbonylContact O-C 3.48Å; V125-K129 WeakPolarHBondContact O-CA 3.47Å; V125-K129 PolarHBondContact O-N 3.3Å; V125-K129 VanDerWaalsContact O-N 3.14Å; V125-L130 HydrophobicContact CG1-CB 4.15Å; V125-L130 PolarHBondContact O-N 3.38Å; V125-W131 HydrophobicContact CB-CZ2 4.25Å; V125-W131 HydrophobicContact CG1-CD2 3.64Å; V125-W131 VanDerWaalsContact CG1-CE2 3.41Å; V125-W131 HydrophobicContact CG1-CE3 4.19Å; V125-W131 HydrophobicContact CG1-CG 3.93Å; V125-W131 HydrophobicContact CG1-CH2 4.27Å; V125-W131 HydrophobicContact CG1-CZ2 3.74Å; V125-W131 HydrophobicContact CG1-CZ3 4.49Å; V125-I134 HydrophobicContact CB-CD1 4.38Å; V125-I134 HydrophobicContact CG1-CD1 3.58Å; V125-I134 HydrophobicContact CG2-CD1 3.76Å |
| 126 | C | 90.6 | Very high | 89.8 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 28% | 0.284 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.2 | -49.8 | 174.2 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | Y122 Q123 K129 W131 | Y122-C126 VanDerWaalsContact CE1-SG 3.55Å; Y122-C126 PolarHBondContact O-N 2.96Å; Y122-C126 PolarHBondContact O-SG 3.31Å; Q123-C126 WeakPolarHBondContact O-CB 3.43Å; Q123-C126 PolarHBondContact O-N 3.13Å; C126-K129 PolarHBondContact O-N 2.97Å; C126-K129 VanDerWaalsContact O-N 3.07Å; C126-W131 PolarHBondContact SG-NE1 2.82Å |
| 127 | E | 88.7 | Confident | 89.5 | Confident | 133 Ų | 133 | 61 Ų | 61 | 62% | 0.621 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.8 | -47.7 | -179 | -71.3 | 168.4 | -170.8 | 0 | 0 | 111.7 | Q123 K129 | Q123-E127 WeakPolarHBondContact O-CG 3.5Å; Q123-E127 PolarHBondContact O-N 3.43Å; E127-K129 PolarHBondContact O-N 3.45Å |
| 128 | K | 91.5 | Very high | 89.3 | Confident | 140 Ų | 140 | 58.8 Ų | 58.8 | 61% | 0.609 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 2.4 | 176.5 | -60 | 178.3 | -175.2 | 170.7 | 0 | 113.3 | T124 L130 | T124-K128 HydrophobicContact CG2-CD 3.81Å; T124-K128 HydrophobicContact CG2-CG 4.49Å; T124-K128 VanDerWaalsContact O-CB 3.32Å; T124-K128 WeakPolarHBondContact O-CB 3.45Å; T124-K128 WeakPolarHBondContact O-CG 3.25Å; T124-K128 PolarHBondContact O-N 3.41Å; K128-L130 HydrophobicContact CB-CD1 3.7Å; K128-L130 HydrophobicContact CB-CD2 4.46Å; K128-L130 HydrophobicContact CB-CG 3.7Å; K128-L130 HydrophobicContact CD-CD1 4.2Å; K128-L130 WeakPolarHBondContact O-CG 3.32Å; K128-L130 PolarHBondContact O-N 2.92Å |
| 129 | K | 90 | Very high | 89.1 | Confident | 176 Ų | 176 | 57.3 Ų | 57.3 | 77% | 0.765 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 30.7 | 178.4 | -58.1 | 177.3 | -177.2 | 173.4 | 0 | 114.7 | V125 C126 E127 W131 | V125-K129 CarbonylContact O-C 3.48Å; V125-K129 WeakPolarHBondContact O-CA 3.47Å; V125-K129 PolarHBondContact O-N 3.3Å; V125-K129 VanDerWaalsContact O-N 3.14Å; C126-K129 PolarHBondContact O-N 2.97Å; C126-K129 VanDerWaalsContact O-N 3.07Å; E127-K129 PolarHBondContact O-N 3.45Å; K129-W131 VanDerWaalsContact C-N 3.26Å; K129-W131 PolarHBondContact O-N 3.47Å |
| 130 | L | 93.2 | Very high | 88.8 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 0.7 | -169.4 | -64 | 173.1 | 0 | 0 | 0 | 114.9 | T119 V125 K128 C132 K133 I134 | T119-L130 HydrophobicContact CG2-CB 4.34Å; T119-L130 HydrophobicContact CG2-CD1 3.37Å; T119-L130 HydrophobicContact CG2-CG 4.47Å; V125-L130 HydrophobicContact CG1-CB 4.15Å; V125-L130 PolarHBondContact O-N 3.38Å; K128-L130 HydrophobicContact CB-CD1 3.7Å; K128-L130 HydrophobicContact CB-CD2 4.46Å; K128-L130 HydrophobicContact CB-CG 3.7Å; K128-L130 HydrophobicContact CD-CD1 4.2Å; K128-L130 WeakPolarHBondContact O-CG 3.32Å; K128-L130 PolarHBondContact O-N 2.92Å; L130-C132 VanDerWaalsContact C-N 3.27Å; L130-C132 PolarHBondContact O-N 3.29Å; L130-K133 WeakPolarHBondContact O-CB 3.27Å; L130-K133 PolarHBondContact O-N 2.79Å; L130-I134 PolarHBondContact O-N 2.73Å |
| 131 | W | 93.6 | Very high | 88.7 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 6% | 0.064 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.4 | -33.7 | -178.7 | -70.3 | 103.9 | 0 | 0 | 0 | 114.7 | L112 V116 Y122 V125 C126 K129 C135 A147 L150 S151 Y154 | L112-W131 HydrophobicContact CD1-CZ3 4.26Å; V116-W131 HydrophobicContact CG1-CH2 4.46Å; V116-W131 HydrophobicContact CG2-CH2 3.7Å; V116-W131 HydrophobicContact CG2-CZ3 3.73Å; Y122-W131 AromaticContact CD2-CH2 3.71Å; Y122-W131 HydrophobicContact CD2-CH2 3.71Å; Y122-W131 AromaticContact CD2-CZ2 3.39Å; Y122-W131 HydrophobicContact CD2-CZ2 3.39Å; Y122-W131 AromaticContact CE2-CH2 3.88Å; Y122-W131 HydrophobicContact CE2-CH2 3.88Å; Y122-W131 AromaticContact CE2-CZ2 3.38Å; Y122-W131 HydrophobicContact CE2-CZ2 3.38Å; Y122-W131 HydrophobicContact CG-CZ2 4.37Å; V125-W131 HydrophobicContact CB-CZ2 4.25Å; V125-W131 HydrophobicContact CG1-CD2 3.64Å; V125-W131 VanDerWaalsContact CG1-CE2 3.41Å; V125-W131 HydrophobicContact CG1-CE3 4.19Å; V125-W131 HydrophobicContact CG1-CG 3.93Å; V125-W131 HydrophobicContact CG1-CH2 4.27Å; V125-W131 HydrophobicContact CG1-CZ2 3.74Å; V125-W131 HydrophobicContact CG1-CZ3 4.49Å; C126-W131 PolarHBondContact SG-NE1 2.82Å; K129-W131 VanDerWaalsContact C-N 3.26Å; K129-W131 PolarHBondContact O-N 3.47Å; W131-C135 PolarHBondContact O-N 3.2Å; W131-C135 PolarHBondContact O-SG 3.24Å; W131-A147 HydrophobicContact CB-CB 3.71Å; W131-L150 HydrophobicContact CE3-CB 4.38Å; W131-L150 HydrophobicContact CE3-CD2 4.04Å; W131-L150 HydrophobicContact CE3-CG 4.17Å; W131-L150 HydrophobicContact CZ3-CD2 4.34Å; W131-L150 HydrophobicContact CZ3-CG 4.21Å; W131-S151 VanDerWaalsContact CE2-CB 3.47Å; W131-S151 VanDerWaalsContact CE2-OG 3.3Å; W131-S151 PolarHBondContact NE1-OG 3.3Å; W131-Y154 AromaticContact CH2-CD2 3.92Å; W131-Y154 HydrophobicContact CH2-CD2 3.92Å; W131-Y154 AromaticContact CH2-CG 3.82Å; W131-Y154 HydrophobicContact CH2-CG 3.82Å; W131-Y154 HydrophobicContact CZ3-CD2 4.27Å; W131-Y154 HydrophobicContact CZ3-CG 4.47Å |
| 132 | C | 91 | Very high | 88.6 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 29% | 0.291 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.7 | -38 | 174.1 | -74.3 | 0 | 0 | 0 | 0 | 112.7 | L130 C135 G136 A142 A147 | L130-C132 VanDerWaalsContact C-N 3.27Å; L130-C132 PolarHBondContact O-N 3.29Å; C132-C135 WeakPolarHBondContact O-CB 3.29Å; C132-C135 PolarHBondContact O-N 3.35Å; C132-G136 PolarHBondContact O-N 2.89Å; C132-A142 WeakPolarHBondContact O-CB 3.19Å; C132-A142 PolarHBondContact SG-O 2.85Å; C132-A147 HydrophobicContact CB-CB 4.48Å; C132-A147 VanDerWaalsContact SG-CB 3.54Å |
| 133 | K | 90.7 | Very high | 88.3 | Confident | 116 Ų | 116 | 61.2 Ų | 61.2 | 50% | 0.504 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 174 | 176.5 | -176.7 | 164.5 | -179.3 | 0 | 109.8 | L130 C135 G136 E137 | L130-K133 WeakPolarHBondContact O-CB 3.27Å; L130-K133 PolarHBondContact O-N 2.79Å; K133-C135 VanDerWaalsContact C-N 3.32Å; K133-C135 PolarHBondContact O-N 3.4Å; K133-G136 PolarHBondContact O-N 2.89Å; K133-E137 WeakPolarHBondContact CE-OE1 3.26Å; K133-E137 HydrophobicContact CG-CG 4.49Å; K133-E137 IonicContact NZ-OE1 3.53Å; K133-E137 PolarHBondContact O-N 2.85Å; K133-E137 VanDerWaalsContact O-N 3.11Å |
| 134 | I | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 179.2 | -64.3 | -174.1 | 0 | 0 | 0 | 111.1 | L112 Q115 V116 V125 L130 G136 E137 I138 L150 | L112-I134 HydrophobicContact CD1-CG2 4.28Å; Q115-I134 HydrophobicContact CB-CG2 4.33Å; Q115-I134 HydrophobicContact CG-CG1 4.32Å; Q115-I134 HydrophobicContact CG-CG2 4.21Å; V116-I134 HydrophobicContact CB-CD1 4.38Å; V116-I134 HydrophobicContact CG2-CD1 3.62Å; V116-I134 HydrophobicContact CG2-CG2 4.37Å; V125-I134 HydrophobicContact CB-CD1 4.38Å; V125-I134 HydrophobicContact CG1-CD1 3.58Å; V125-I134 HydrophobicContact CG2-CD1 3.76Å; L130-I134 PolarHBondContact O-N 2.73Å; I134-G136 VanDerWaalsContact C-N 3.29Å; I134-G136 PolarHBondContact O-N 3.38Å; I134-E137 PolarHBondContact O-N 3.39Å; I134-E137 VanDerWaalsContact O-N 3.08Å; I134-I138 HydrophobicContact CG2-CG1 4.41Å; I134-I138 WeakPolarHBondContact O-CG1 3.44Å; I134-I138 PolarHBondContact O-N 2.73Å; I134-L150 HydrophobicContact CG2-CD2 4.23Å |
| 135 | C | 89.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -50.3 | -48.9 | 172.7 | -81.3 | 0 | 0 | 0 | 0 | 112.2 | W131 C132 K133 E137 I138 G139 L140 L150 | W131-C135 PolarHBondContact O-N 3.2Å; W131-C135 PolarHBondContact O-SG 3.24Å; C132-C135 WeakPolarHBondContact O-CB 3.29Å; C132-C135 PolarHBondContact O-N 3.35Å; K133-C135 VanDerWaalsContact C-N 3.32Å; K133-C135 PolarHBondContact O-N 3.4Å; C135-E137 PolarHBondContact O-N 3.38Å; C135-I138 PolarHBondContact O-N 3.29Å; C135-G139 PolarHBondContact O-N 3.06Å; C135-L140 CarbonylContact C-O 3.53Å; C135-L140 VanDerWaalsContact C-O 3.23Å; C135-L140 HydrophobicContact CB-CB 4.18Å; C135-L140 CarbonylContact O-C 3.53Å; C135-L140 WeakPolarHBondContact O-CA 3.35Å; C135-L140 PolarHBondContact O-N 3.15Å; C135-L150 VanDerWaalsContact SG-CD2 3.56Å |
| 136 | G | 82.8 | Confident | 87.4 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 44% | 0.443 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | C132 K133 I134 I138 G139 | C132-G136 PolarHBondContact O-N 2.89Å; K133-G136 PolarHBondContact O-N 2.89Å; I134-G136 VanDerWaalsContact C-N 3.29Å; I134-G136 PolarHBondContact O-N 3.38Å; G136-I138 VanDerWaalsContact C-N 3.34Å; G136-I138 PolarHBondContact O-N 2.96Å; G136-G139 PolarHBondContact O-N 2.83Å |
| 137 | E | 85.1 | Confident | 87.3 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 34% | 0.341 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.5 | -27.4 | -177.3 | -66.5 | 172.8 | 138.6 | 0 | 0 | 113.8 | Q115 K133 I134 C135 | Q115-E137 HydrophobicContact CG-CB 4.1Å; Q115-E137 PolarHBondContact NE2-OE1 3.29Å; Q115-E137 PolarHBondContact NE2-OE2 3.15Å; K133-E137 WeakPolarHBondContact CE-OE1 3.26Å; K133-E137 HydrophobicContact CG-CG 4.49Å; K133-E137 IonicContact NZ-OE1 3.53Å; K133-E137 PolarHBondContact O-N 2.85Å; K133-E137 VanDerWaalsContact O-N 3.11Å; I134-E137 PolarHBondContact O-N 3.39Å; I134-E137 VanDerWaalsContact O-N 3.08Å; C135-E137 PolarHBondContact O-N 3.38Å |
| 138 | I | 85.1 | Confident | 87.1 | Confident | 26 Ų | 26 | 57 Ų | 57 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 10.6 | 167.7 | 40.3 | 161.1 | 0 | 0 | 0 | 114.4 | R111 L112 I134 C135 G136 L140 L150 | R111-I138 HydrophobicContact CB-CG2 3.95Å; R111-I138 HydrophobicContact CG-CG2 3.7Å; L112-I138 HydrophobicContact CB-CD1 4.26Å; L112-I138 HydrophobicContact CD1-CD1 4.1Å; I134-I138 HydrophobicContact CG2-CG1 4.41Å; I134-I138 WeakPolarHBondContact O-CG1 3.44Å; I134-I138 PolarHBondContact O-N 2.73Å; C135-I138 PolarHBondContact O-N 3.29Å; G136-I138 VanDerWaalsContact C-N 3.34Å; G136-I138 PolarHBondContact O-N 2.96Å; I138-L140 VanDerWaalsContact C-N 3.35Å; I138-L140 HydrophobicContact CD1-CD1 3.86Å; I138-L140 HydrophobicContact CD1-CG 4.44Å; I138-L140 PolarHBondContact O-N 2.79Å; I138-L150 HydrophobicContact CD1-CD1 3.98Å; I138-L150 HydrophobicContact CD1-CD2 3.87Å |
| 139 | G | 82.1 | Confident | 87 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 22.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | C135 G136 | C135-G139 PolarHBondContact O-N 3.06Å; G136-G139 PolarHBondContact O-N 2.83Å |
| 140 | L | 83.7 | Confident | 86.9 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 9% | 0.094 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -94.5 | 150.4 | 168.3 | -64.1 | 177.2 | 0 | 0 | 0 | 110.1 | C135 I138 A142 F146 L150 | C135-L140 CarbonylContact C-O 3.53Å; C135-L140 VanDerWaalsContact C-O 3.23Å; C135-L140 HydrophobicContact CB-CB 4.18Å; C135-L140 CarbonylContact O-C 3.53Å; C135-L140 WeakPolarHBondContact O-CA 3.35Å; C135-L140 PolarHBondContact O-N 3.15Å; I138-L140 VanDerWaalsContact C-N 3.35Å; I138-L140 HydrophobicContact CD1-CD1 3.86Å; I138-L140 HydrophobicContact CD1-CG 4.44Å; I138-L140 PolarHBondContact O-N 2.79Å; L140-A142 PolarHBondContact O-N 2.83Å; L140-F146 HydrophobicContact CB-CD1 4.28Å; L140-F146 HydrophobicContact CD1-CD1 4.4Å; L140-F146 HydrophobicContact CD2-CD1 4.41Å; L140-F146 HydrophobicContact CD2-CE1 4.2Å; L140-L150 HydrophobicContact CD1-CD1 4.05Å |
| 141 | P | 81.4 | Confident | 86.9 | Confident | 57 Ų | 57 | 42.3 Ų | 42.3 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | trans | -56.7 | 125.5 | 174.8 | -24.6 | 35 | 0 | 0 | 0 | 111.2 | V143 F146 | P141-V143 HydrophobicContact CB-CG2 4.26Å; P141-V143 PolarHBondContact O-N 2.93Å; P141-F146 HydrophobicContact CB-CD2 4.14Å; P141-F146 HydrophobicContact CB-CE2 4.3Å; P141-F146 HydrophobicContact CG-CD2 4.25Å; P141-F146 HydrophobicContact CG-CE2 3.95Å; P141-F146 HydrophobicContact CG-CZ 4.28Å; P141-F146 WeakPolarHBondContact O-CB 3.48Å | ||
| 142 | A | 86.4 | Confident | 86.6 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 49% | 0.488 | 30% | 0.296 | S | S | . | . | trans | -73.2 | 34.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | C132 L140 | C132-A142 WeakPolarHBondContact O-CB 3.19Å; C132-A142 PolarHBondContact SG-O 2.85Å; L140-A142 PolarHBondContact O-N 2.83Å | ||
| 143 | V | 85.5 | Confident | 86.4 | Confident | 67 Ų | 67 | 45 Ų | 45 | 41% | 0.406 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -97.6 | 148.3 | -175.3 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | P141 S145 F146 A147 | P141-V143 HydrophobicContact CB-CG2 4.26Å; P141-V143 PolarHBondContact O-N 2.93Å; V143-S145 PolarHBondContact O-N 2.79Å; V143-F146 HydrophobicContact CG2-CB 4.23Å; V143-F146 HydrophobicContact CG2-CD2 3.75Å; V143-F146 HydrophobicContact CG2-CG 4.47Å; V143-F146 PolarHBondContact O-N 3.24Å; V143-A147 PolarHBondContact O-N 2.77Å |
| 144 | P | 82.6 | Confident | 86.5 | Confident | 99 Ų | 99 | 39.5 Ų | 39.5 | 64% | 0.643 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -53.3 | -32.5 | -176.1 | -30.6 | 36.5 | 0 | 0 | 0 | 115.5 | A147 S148 | P144-A147 PolarHBondContact O-N 3.4Å; P144-S148 WeakPolarHBondContact O-CB 3.21Å; P144-S148 PolarHBondContact O-N 2.97Å |
| 145 | S | 83.4 | Confident | 86.5 | Confident | 58 Ų | 58 | 45.7 Ų | 45.7 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71 | -31 | 178.6 | 70.2 | 0 | 0 | 0 | 0 | 113.6 | K103 V143 S149 | K103-S145 PolarHBondContact NZ-OG 2.71Å; V143-S145 PolarHBondContact O-N 2.79Å; S145-S149 WeakPolarHBondContact O-CB 3.42Å; S145-S149 PolarHBondContact O-N 3.39Å; S145-S149 PolarHBondContact O-OG 3.5Å |
| 146 | F | 86.2 | Confident | 86.3 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 10% | 0.101 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -75 | -46.1 | 170 | -92.7 | -89.1 | 0 | 0 | 0 | 110.2 | I102 K103 L140 P141 V143 S148 S149 L150 | I102-F146 HydrophobicContact CB-CD1 4.42Å; I102-F146 HydrophobicContact CB-CE1 4.3Å; I102-F146 HydrophobicContact CG2-CD1 3.51Å; I102-F146 HydrophobicContact CG2-CE1 3.54Å; I102-F146 HydrophobicContact CG2-CG 4.38Å; I102-F146 HydrophobicContact CG2-CZ 4.43Å; K103-F146 HydrophobicContact CB-CZ 4.23Å; K103-F146 HydrophobicContact CD-CE2 3.87Å; K103-F146 HydrophobicContact CD-CZ 3.95Å; K103-F146 HydrophobicContact CG-CZ 4.46Å; L140-F146 HydrophobicContact CB-CD1 4.28Å; L140-F146 HydrophobicContact CD1-CD1 4.4Å; L140-F146 HydrophobicContact CD2-CD1 4.41Å; L140-F146 HydrophobicContact CD2-CE1 4.2Å; P141-F146 HydrophobicContact CB-CD2 4.14Å; P141-F146 HydrophobicContact CB-CE2 4.3Å; P141-F146 HydrophobicContact CG-CD2 4.25Å; P141-F146 HydrophobicContact CG-CE2 3.95Å; P141-F146 HydrophobicContact CG-CZ 4.28Å; P141-F146 WeakPolarHBondContact O-CB 3.48Å; V143-F146 HydrophobicContact CG2-CB 4.23Å; V143-F146 HydrophobicContact CG2-CD2 3.75Å; V143-F146 HydrophobicContact CG2-CG 4.47Å; V143-F146 PolarHBondContact O-N 3.24Å; F146-S148 PolarHBondContact O-N 2.35Å; F146-S149 WeakPolarHBondContact O-CB 3.23Å; F146-S149 PolarHBondContact O-N 3.05Å; F146-L150 VanDerWaalsContact O-CB 3.26Å; F146-L150 WeakPolarHBondContact O-CB 3.33Å; F146-L150 PolarHBondContact O-N 3.06Å |
| 147 | A | 88.1 | Confident | 86.5 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 5% | 0.05 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.4 | -47.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | W131 C132 V143 P144 L150 S151 | W131-A147 HydrophobicContact CB-CB 3.71Å; C132-A147 HydrophobicContact CB-CB 4.48Å; C132-A147 VanDerWaalsContact SG-CB 3.54Å; V143-A147 PolarHBondContact O-N 2.77Å; P144-A147 PolarHBondContact O-N 3.4Å; A147-L150 WeakPolarHBondContact O-CB 3.29Å; A147-L150 PolarHBondContact O-N 2.83Å; A147-S151 PolarHBondContact O-N 3.3Å |
| 148 | S | 86.4 | Confident | 86.8 | Confident | 77 Ų | 77 | 49 Ų | 49 | 54% | 0.538 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.1 | -38.3 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 112.7 | P144 F146 L150 S152 | P144-S148 WeakPolarHBondContact O-CB 3.21Å; P144-S148 PolarHBondContact O-N 2.97Å; F146-S148 PolarHBondContact O-N 2.35Å; S148-L150 VanDerWaalsContact C-N 3.32Å; S148-L150 PolarHBondContact O-N 2.77Å; S148-S152 WeakPolarHBondContact O-CB 3.44Å; S148-S152 PolarHBondContact O-N 2.7Å; S148-S152 PolarHBondContact O-OG 2.76Å |
| 149 | S | 87.6 | Confident | 87 | Confident | 39 Ų | 39 | 50 Ų | 50 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 172.5 | -60 | 0 | 0 | 0 | 0 | 112.1 | S145 F146 H153 | S145-S149 WeakPolarHBondContact O-CB 3.42Å; S145-S149 PolarHBondContact O-N 3.39Å; S145-S149 PolarHBondContact O-OG 3.5Å; F146-S149 WeakPolarHBondContact O-CB 3.23Å; F146-S149 PolarHBondContact O-N 3.05Å; S149-H153 PolarHBondContact O-N 3.48Å; S149-H153 PolarHBondContact O-ND1 2.85Å |
| 150 | L | 89.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.1 | -47.1 | 180 | -169.4 | 71.1 | 0 | 0 | 0 | 111.1 | I102 I107 L112 W131 I134 C135 I138 L140 F146 A147 S148 S152 H153 Y154 | I102-L150 HydrophobicContact CD1-CB 4.1Å; I102-L150 HydrophobicContact CD1-CD1 3.93Å; I107-L150 HydrophobicContact CD1-CD1 4.21Å; I107-L150 HydrophobicContact CG2-CD1 4.07Å; L112-L150 HydrophobicContact CD1-CD1 3.78Å; L112-L150 HydrophobicContact CD1-CD2 3.85Å; L112-L150 HydrophobicContact CD1-CG 3.75Å; L112-L150 HydrophobicContact CD2-CD1 3.77Å; L112-L150 HydrophobicContact CD2-CG 4.38Å; L112-L150 HydrophobicContact CG-CD1 4.37Å; W131-L150 HydrophobicContact CE3-CB 4.38Å; W131-L150 HydrophobicContact CE3-CD2 4.04Å; W131-L150 HydrophobicContact CE3-CG 4.17Å; W131-L150 HydrophobicContact CZ3-CD2 4.34Å; W131-L150 HydrophobicContact CZ3-CG 4.21Å; I134-L150 HydrophobicContact CG2-CD2 4.23Å; C135-L150 VanDerWaalsContact SG-CD2 3.56Å; I138-L150 HydrophobicContact CD1-CD1 3.98Å; I138-L150 HydrophobicContact CD1-CD2 3.87Å; L140-L150 HydrophobicContact CD1-CD1 4.05Å; F146-L150 VanDerWaalsContact O-CB 3.26Å; F146-L150 WeakPolarHBondContact O-CB 3.33Å; F146-L150 PolarHBondContact O-N 3.06Å; A147-L150 WeakPolarHBondContact O-CB 3.29Å; A147-L150 PolarHBondContact O-N 2.83Å; S148-L150 VanDerWaalsContact C-N 3.32Å; S148-L150 PolarHBondContact O-N 2.77Å; L150-S152 VanDerWaalsContact C-N 3.32Å; L150-S152 PolarHBondContact O-N 3.12Å; L150-H153 PolarHBondContact O-N 2.95Å; L150-Y154 PolarHBondContact O-N 3.03Å |
| 151 | S | 91.6 | Very high | 87.5 | Confident | 16 Ų | 16 | 49.2 Ų | 49.2 | 11% | 0.112 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 173.5 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | Y122 W131 A147 H153 Y154 K155 | Y122-S151 PolarHBondContact OH-OG 3.43Å; Y122-S151 VanDerWaalsContact OH-OG 3.09Å; W131-S151 VanDerWaalsContact CE2-CB 3.47Å; W131-S151 VanDerWaalsContact CE2-OG 3.3Å; W131-S151 PolarHBondContact NE1-OG 3.3Å; A147-S151 PolarHBondContact O-N 3.3Å; S151-H153 PolarHBondContact O-N 2.61Å; S151-Y154 PolarHBondContact O-N 3.2Å; S151-K155 WeakPolarHBondContact O-CB 3.43Å; S151-K155 PolarHBondContact O-N 2.98Å |
| 152 | S | 88 | Confident | 87.8 | Confident | 70 Ų | 70 | 47.4 Ų | 47.4 | 49% | 0.49 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 177.5 | -60 | 0 | 0 | 0 | 0 | 112.4 | S148 L150 K156 | S148-S152 WeakPolarHBondContact O-CB 3.44Å; S148-S152 PolarHBondContact O-N 2.7Å; S148-S152 PolarHBondContact O-OG 2.76Å; L150-S152 VanDerWaalsContact C-N 3.32Å; L150-S152 PolarHBondContact O-N 3.12Å; S152-K156 VanDerWaalsContact O-CB 3.31Å; S152-K156 WeakPolarHBondContact O-CB 3.37Å; S152-K156 PolarHBondContact O-N 3.42Å; S152-K156 VanDerWaalsContact O-N 3.15Å |
| 153 | H | 88 | Confident | 87.8 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 22% | 0.218 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 173.8 | -81 | 87.5 | 0 | 0 | 0 | 112.1 | P100 I107 S149 L150 S151 K156 Y157 | P100-H153 VanDerWaalsContact CB-CD2 3.42Å; P100-H153 WeakPolarHBondContact CB-CD2 3.18Å; I107-H153 HydrophobicContact CD1-CB 4.16Å; S149-H153 PolarHBondContact O-N 3.48Å; S149-H153 PolarHBondContact O-ND1 2.85Å; L150-H153 PolarHBondContact O-N 2.95Å; S151-H153 PolarHBondContact O-N 2.61Å; H153-K156 PolarHBondContact O-N 3.05Å; H153-Y157 HydrophobicContact CB-CD2 4.43Å; H153-Y157 AromaticContact CD2-CD2 3.85Å; H153-Y157 AromaticContact CD2-CE2 3.64Å; H153-Y157 WeakPolarHBondContact O-CB 3.38Å; H153-Y157 WeakPolarHBondContact O-CD2 3.47Å; H153-Y157 PolarHBondContact O-N 3Å |
| 154 | Y | 92.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.9 | -50.4 | 176.1 | -157.2 | -70.3 | 0 | 0 | 0 | 111.2 | L112 V116 Y122 W131 L150 S151 K156 Y157 L158 L159 D162 | L112-Y154 HydrophobicContact CD1-CD2 3.93Å; L112-Y154 HydrophobicContact CD1-CE2 4.39Å; L112-Y154 HydrophobicContact CD2-CD2 3.99Å; L112-Y154 HydrophobicContact CG-CD2 3.73Å; L112-Y154 HydrophobicContact CG-CE2 4.09Å; V116-Y154 HydrophobicContact CB-CD2 4.19Å; V116-Y154 HydrophobicContact CB-CE2 3.39Å; V116-Y154 HydrophobicContact CG1-CD2 4.34Å; V116-Y154 HydrophobicContact CG1-CE1 4.05Å; V116-Y154 HydrophobicContact CG1-CE2 3.63Å; V116-Y154 VanDerWaalsContact CG1-CZ 3.45Å; V116-Y154 WeakPolarHBondContact CG1-OH 3.46Å; V116-Y154 HydrophobicContact CG2-CD2 3.75Å; V116-Y154 HydrophobicContact CG2-CE2 3.44Å; V116-Y154 VanDerWaalsContact CG2-CE2 3.44Å; Y122-Y154 AromaticContact CD2-CD1 3.43Å; Y122-Y154 HydrophobicContact CD2-CD1 3.43Å; Y122-Y154 VanDerWaalsContact CD2-CD1 3.43Å; Y122-Y154 HydrophobicContact CD2-CE1 4.15Å; Y122-Y154 AromaticContact CD2-CG 3.9Å; Y122-Y154 HydrophobicContact CD2-CG 3.9Å; Y122-Y154 HydrophobicContact CE2-CD1 4.27Å; Y122-Y154 HydrophobicContact CE2-CG 4.47Å; Y122-Y154 HydrophobicContact CG-CD1 4.12Å; Y122-Y154 HydrophobicContact CG-CE1 4.49Å; W131-Y154 AromaticContact CH2-CD2 3.92Å; W131-Y154 HydrophobicContact CH2-CD2 3.92Å; W131-Y154 AromaticContact CH2-CG 3.82Å; W131-Y154 HydrophobicContact CH2-CG 3.82Å; W131-Y154 HydrophobicContact CZ3-CD2 4.27Å; W131-Y154 HydrophobicContact CZ3-CG 4.47Å; L150-Y154 PolarHBondContact O-N 3.03Å; S151-Y154 PolarHBondContact O-N 3.2Å; Y154-K156 PolarHBondContact O-N 3.4Å; Y154-Y157 PolarHBondContact O-N 2.96Å; Y154-L158 HydrophobicContact CD1-CB 3.68Å; Y154-L158 HydrophobicContact CD2-CB 4.19Å; Y154-L158 HydrophobicContact CD2-CD1 3.49Å; Y154-L158 VanDerWaalsContact CD2-CD1 3.49Å; Y154-L158 HydrophobicContact CD2-CG 4.48Å; Y154-L158 HydrophobicContact CE1-CB 3.7Å; Y154-L158 HydrophobicContact CE2-CB 4.2Å; Y154-L158 HydrophobicContact CE2-CD1 3.53Å; Y154-L158 HydrophobicContact CE2-CG 4.49Å; Y154-L158 HydrophobicContact CG-CB 3.94Å; Y154-L158 HydrophobicContact CG-CD1 4.02Å; Y154-L158 WeakPolarHBondContact O-CA 3.48Å; Y154-L158 PolarHBondContact O-N 3.4Å; Y154-L159 HydrophobicContact CD1-CB 4.35Å; Y154-L159 PolarHBondContact O-N 3.4Å; Y154-D162 VanDerWaalsContact CE1-OD2 3.24Å; Y154-D162 WeakPolarHBondContact CE1-OD2 3.36Å; Y154-D162 PolarHBondContact OH-OD2 3.07Å |
| 155 | K | 90.5 | Very high | 87.6 | Confident | 130 Ų | 130 | 43.5 Ų | 43.5 | 57% | 0.565 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -57.1 | -33.8 | 178.2 | -168.6 | 174 | -178.7 | 173.8 | 0 | 112.9 | Y122 S151 L159 | Y122-K155 HydrophobicContact CE1-CG 4.49Å; Y122-K155 HydrophobicContact CE2-CB 4.02Å; S151-K155 WeakPolarHBondContact O-CB 3.43Å; S151-K155 PolarHBondContact O-N 2.98Å; K155-L159 HydrophobicContact CG-CD2 4.05Å |
| 156 | K | 86.5 | Confident | 87.4 | Confident | 125 Ų | 125 | 42.9 Ų | 42.9 | 54% | 0.543 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -84.9 | -37.9 | -177.3 | -173.9 | 177.3 | 176.8 | -163.2 | 0 | 114 | S152 H153 Y154 | S152-K156 VanDerWaalsContact O-CB 3.31Å; S152-K156 WeakPolarHBondContact O-CB 3.37Å; S152-K156 PolarHBondContact O-N 3.42Å; S152-K156 VanDerWaalsContact O-N 3.15Å; H153-K156 PolarHBondContact O-N 3.05Å; Y154-K156 PolarHBondContact O-N 3.4Å |
| 157 | Y | 87.2 | Confident | 86.6 | Confident | 60 Ų | 60 | 44.6 Ų | 44.6 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -117.4 | -22.5 | -166.8 | -65.4 | -69.2 | 0 | 0 | 0 | 115.2 | W90 L97 H153 Y154 | W90-Y157 PolarHBondContact NE1-O 2.8Å; L97-Y157 HydrophobicContact CD1-CD1 3.55Å; L97-Y157 HydrophobicContact CD1-CE1 4.18Å; L97-Y157 HydrophobicContact CD1-CG 4.28Å; H153-Y157 HydrophobicContact CB-CD2 4.43Å; H153-Y157 AromaticContact CD2-CD2 3.85Å; H153-Y157 AromaticContact CD2-CE2 3.64Å; H153-Y157 WeakPolarHBondContact O-CB 3.38Å; H153-Y157 WeakPolarHBondContact O-CD2 3.47Å; H153-Y157 PolarHBondContact O-N 3Å; Y154-Y157 PolarHBondContact O-N 2.96Å |
| 158 | L | 90.2 | Very high | 85.5 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -50 | -176.3 | -78.1 | 170.9 | 0 | 0 | 0 | 112.4 | F82 L86 I109 L112 W113 Y154 P160 H161 D162 | F82-L158 HydrophobicContact CE1-CD2 4.3Å; F82-L158 HydrophobicContact CZ-CD2 3.66Å; L86-L158 HydrophobicContact CD1-CD2 4.19Å; L86-L158 HydrophobicContact CD2-CD2 3.79Å; I109-L158 HydrophobicContact CG2-CD1 4.1Å; I109-L158 HydrophobicContact CG2-CD2 3.82Å; I109-L158 HydrophobicContact CG2-CG 4.15Å; L112-L158 HydrophobicContact CD2-CD1 3.87Å; L112-L158 HydrophobicContact CG-CD1 4.06Å; W113-L158 HydrophobicContact CB-CD1 4.21Å; W113-L158 HydrophobicContact CB-CD2 4.22Å; Y154-L158 HydrophobicContact CD1-CB 3.68Å; Y154-L158 HydrophobicContact CD2-CB 4.19Å; Y154-L158 HydrophobicContact CD2-CD1 3.49Å; Y154-L158 VanDerWaalsContact CD2-CD1 3.49Å; Y154-L158 HydrophobicContact CD2-CG 4.48Å; Y154-L158 HydrophobicContact CE1-CB 3.7Å; Y154-L158 HydrophobicContact CE2-CB 4.2Å; Y154-L158 HydrophobicContact CE2-CD1 3.53Å; Y154-L158 HydrophobicContact CE2-CG 4.49Å; Y154-L158 HydrophobicContact CG-CB 3.94Å; Y154-L158 HydrophobicContact CG-CD1 4.02Å; Y154-L158 WeakPolarHBondContact O-CA 3.48Å; Y154-L158 PolarHBondContact O-N 3.4Å; L158-P160 VanDerWaalsContact C-CD 3.42Å; L158-P160 VanDerWaalsContact C-N 3.31Å; L158-P160 VanDerWaalsContact O-N 3.14Å; L158-H161 WeakPolarHBondContact O-CA 3.42Å; L158-H161 WeakPolarHBondContact O-CB 3.49Å; L158-H161 PolarHBondContact O-N 3.05Å; L158-D162 PolarHBondContact O-N 2.82Å |
| 159 | L | 90.5 | Very high | 84.2 | Confident | 45 Ų | 45 | 46.6 Ų | 46.6 | 24% | 0.236 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -51.3 | -40.9 | -178.4 | -175.6 | 64 | 0 | 0 | 0 | 113.9 | Y122 Y154 K155 H161 D162 T163 | Y122-L159 HydrophobicContact CD1-CD1 4.17Å; Y122-L159 HydrophobicContact CD1-CD2 3.77Å; Y122-L159 HydrophobicContact CE1-CD2 4.01Å; Y122-L159 HydrophobicContact CG-CD1 4.13Å; Y122-L159 HydrophobicContact CG-CD2 4.26Å; Y154-L159 HydrophobicContact CD1-CB 4.35Å; Y154-L159 PolarHBondContact O-N 3.4Å; K155-L159 HydrophobicContact CG-CD2 4.05Å; L159-H161 VanDerWaalsContact C-N 3.26Å; L159-H161 PolarHBondContact O-N 2.89Å; L159-D162 PolarHBondContact O-N 3.07Å; L159-T163 PolarHBondContact O-N 3.28Å; L159-T163 PolarHBondContact O-OG1 3.16Å |
| 160 | P | 87.3 | Confident | 82.5 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 31% | 0.312 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -28.7 | 176.7 | -22.6 | 35.7 | 0 | 0 | 0 | 114 | F89 W90 L158 F164 | F89-P160 HydrophobicContact CE1-CB 4.21Å; F89-P160 HydrophobicContact CZ-CB 4.11Å; F89-P160 WeakPolarHBondContact CZ-O 3.47Å; W90-P160 HydrophobicContact CH2-CB 4.08Å; W90-P160 HydrophobicContact CH2-CG 4.04Å; W90-P160 HydrophobicContact CZ2-CB 4.23Å; W90-P160 HydrophobicContact CZ2-CG 4.2Å; L158-P160 VanDerWaalsContact C-CD 3.42Å; L158-P160 VanDerWaalsContact C-N 3.31Å; L158-P160 VanDerWaalsContact O-N 3.14Å; P160-F164 VanDerWaalsContact O-CB 3.26Å; P160-F164 WeakPolarHBondContact O-CB 3.47Å; P160-F164 PolarHBondContact O-N 2.91Å |
| 161 | H | 88.5 | Confident | 80.2 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -76.6 | -46.6 | 173.4 | 175.8 | -122.6 | 0 | 0 | 0 | 110.2 | S85 L86 F89 L158 L159 T163 F164 I165 | S85-H161 PolarHBondContact OG-NE2 3.31Å; S85-H161 VanDerWaalsContact OG-NE2 3.14Å; L86-H161 HydrophobicContact CD1-CB 3.55Å; F89-H161 HydrophobicContact CD1-CB 3.82Å; F89-H161 HydrophobicContact CE1-CB 3.92Å; F89-H161 HydrophobicContact CG-CB 4.25Å; F89-H161 AromaticContact CG-CD2 3.68Å; F89-H161 HydrophobicContact CZ-CB 4.43Å; L158-H161 WeakPolarHBondContact O-CA 3.42Å; L158-H161 WeakPolarHBondContact O-CB 3.49Å; L158-H161 PolarHBondContact O-N 3.05Å; L159-H161 VanDerWaalsContact C-N 3.26Å; L159-H161 PolarHBondContact O-N 2.89Å; H161-T163 PolarHBondContact O-N 3.5Å; H161-F164 WeakPolarHBondContact O-CB 3.36Å; H161-F164 PolarHBondContact O-N 2.87Å; H161-F164 VanDerWaalsContact O-N 3.13Å; H161-I165 VanDerWaalsContact O-CG1 3.27Å; H161-I165 WeakPolarHBondContact O-CG1 3.32Å; H161-I165 PolarHBondContact O-N 2.61Å |
| 162 | D | 87.6 | Confident | 77.7 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.107 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.9 | -48.5 | 176.1 | -67.3 | -58.8 | 0 | 0 | 0 | 112.4 | W113 Q117 Y154 L158 L159 F164 I165 A166 | W113-D162 VanDerWaalsContact CD1-OD1 3.27Å; W113-D162 PolarHBondContact NE1-OD1 2.95Å; Q117-D162 VanDerWaalsContact NE2-CG 3.28Å; Q117-D162 PolarHBondContact NE2-OD1 2.77Å; Y154-D162 VanDerWaalsContact CE1-OD2 3.24Å; Y154-D162 WeakPolarHBondContact CE1-OD2 3.36Å; Y154-D162 PolarHBondContact OH-OD2 3.07Å; L158-D162 PolarHBondContact O-N 2.82Å; L159-D162 PolarHBondContact O-N 3.07Å; D162-F164 VanDerWaalsContact C-N 3.32Å; D162-F164 PolarHBondContact O-N 2.79Å; D162-I165 PolarHBondContact O-N 3.43Å; D162-A166 WeakPolarHBondContact O-CB 3.28Å; D162-A166 PolarHBondContact O-N 2.89Å |
| 163 | T | 85.4 | Confident | 75 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 177.3 | -51 | 0 | 0 | 0 | 0 | 111.8 | L159 H161 A166 D167 | L159-T163 PolarHBondContact O-N 3.28Å; L159-T163 PolarHBondContact O-OG1 3.16Å; H161-T163 PolarHBondContact O-N 3.5Å; T163-A166 PolarHBondContact O-N 3.18Å; T163-D167 WeakPolarHBondContact O-CB 3.26Å; T163-D167 PolarHBondContact O-N 2.97Å |
| 164 | F | 84.7 | Confident | 72.2 | Confident | 13 Ų | 13 | 66 Ų | 66 | 6% | 0.057 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 176.2 | 172.4 | -85.8 | 0 | 0 | 0 | 112.6 | F89 P160 H161 D162 E168 I243 I244 Y247 | F89-F164 HydrophobicContact CD2-CB 4.19Å; F89-F164 AromaticContact CD2-CD1 3.72Å; F89-F164 HydrophobicContact CD2-CD1 3.72Å; F89-F164 HydrophobicContact CD2-CD2 4.2Å; F89-F164 HydrophobicContact CD2-CE1 4.11Å; F89-F164 AromaticContact CD2-CG 3.78Å; F89-F164 HydrophobicContact CD2-CG 3.78Å; F89-F164 HydrophobicContact CD2-CZ 4.49Å; F89-F164 HydrophobicContact CE2-CB 3.52Å; F89-F164 AromaticContact CE2-CD1 3.9Å; F89-F164 HydrophobicContact CE2-CD1 3.9Å; F89-F164 AromaticContact CE2-CD2 3.75Å; F89-F164 HydrophobicContact CE2-CD2 3.75Å; F89-F164 HydrophobicContact CE2-CE2 4.42Å; F89-F164 AromaticContact CE2-CG 3.45Å; F89-F164 HydrophobicContact CE2-CG 3.45Å; F89-F164 VanDerWaalsContact CE2-CG 3.45Å; F89-F164 HydrophobicContact CZ-CB 4.24Å; P160-F164 VanDerWaalsContact O-CB 3.26Å; P160-F164 WeakPolarHBondContact O-CB 3.47Å; P160-F164 PolarHBondContact O-N 2.91Å; H161-F164 WeakPolarHBondContact O-CB 3.36Å; H161-F164 PolarHBondContact O-N 2.87Å; H161-F164 VanDerWaalsContact O-N 3.13Å; D162-F164 VanDerWaalsContact C-N 3.32Å; D162-F164 PolarHBondContact O-N 2.79Å; F164-E168 WeakPolarHBondContact O-CB 3.21Å; F164-E168 PolarHBondContact O-N 3.28Å; F164-I243 HydrophobicContact CE2-CG2 3.96Å; F164-I243 HydrophobicContact CZ-CG2 4.49Å; F164-I244 HydrophobicContact CE2-CG1 3.64Å; F164-I244 HydrophobicContact CZ-CG1 3.82Å; F164-Y247 AromaticContact CE1-CD1 3.52Å; F164-Y247 HydrophobicContact CE1-CD1 3.52Å; F164-Y247 AromaticContact CE1-CD2 3.99Å; F164-Y247 HydrophobicContact CE1-CD2 3.99Å; F164-Y247 AromaticContact CE1-CE1 3.8Å; F164-Y247 HydrophobicContact CE1-CE1 3.8Å; F164-Y247 HydrophobicContact CE1-CE2 4.21Å; F164-Y247 AromaticContact CE1-CG 3.64Å; F164-Y247 HydrophobicContact CE1-CG 3.64Å; F164-Y247 AromaticContact CZ-CD1 3.9Å; F164-Y247 HydrophobicContact CZ-CD1 3.9Å; F164-Y247 HydrophobicContact CZ-CD2 4.49Å; F164-Y247 AromaticContact CZ-CG 3.86Å; F164-Y247 HydrophobicContact CZ-CG 3.86Å |
| 165 | I | 80.5 | Confident | 69.2 | Low | 61 Ų | 61 | 74.8 Ų | 74.8 | 31% | 0.313 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 174.6 | -64 | -70.5 | 0 | 0 | 0 | 110.7 | H161 D162 E168 S169 Y247 | H161-I165 VanDerWaalsContact O-CG1 3.27Å; H161-I165 WeakPolarHBondContact O-CG1 3.32Å; H161-I165 PolarHBondContact O-N 2.61Å; D162-I165 PolarHBondContact O-N 3.43Å; I165-E168 PolarHBondContact O-N 3.03Å; I165-S169 PolarHBondContact O-N 2.99Å; I165-Y247 HydrophobicContact CD1-CE1 4.37Å; I165-Y247 WeakPolarHBondContact CD1-OH 3.23Å |
| 166 | A | 78.4 | Confident | 66.5 | Low | 46 Ų | 46 | 73.8 Ų | 73.8 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D162 T163 E168 S169 V170 | D162-A166 WeakPolarHBondContact O-CB 3.28Å; D162-A166 PolarHBondContact O-N 2.89Å; T163-A166 PolarHBondContact O-N 3.18Å; A166-E168 PolarHBondContact O-N 2.74Å; A166-S169 PolarHBondContact O-N 3.25Å; A166-S169 PolarHBondContact O-OG 2.91Å; A166-S169 VanDerWaalsContact O-OG 3.04Å; A166-V170 WeakPolarHBondContact O-CG2 3.02Å; A166-V170 PolarHBondContact O-N 3.18Å |
| 167 | D | 69.1 | Low | 63.9 | Low | 59 Ų | 59 | 76.4 Ų | 76.4 | 32% | 0.316 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.5 | -27.6 | 174.4 | -78.7 | -18.4 | 0 | 0 | 0 | 112.1 | T163 N171 R240 | T163-D167 WeakPolarHBondContact O-CB 3.26Å; T163-D167 PolarHBondContact O-N 2.97Å; D167-N171 WeakPolarHBondContact O-CB 3.4Å; D167-N171 PolarHBondContact O-N 3.12Å; D167-N171 PolarHBondContact O-ND2 3.44Å; D167-R240 VanDerWaalsContact CG-NH2 3.34Å; D167-R240 IonicContact OD2-CZ 3.07Å; D167-R240 IonicContact OD2-NH1 2.75Å; D167-R240 PolarHBondContact OD2-NH1 3.2Å; D167-R240 IonicContact OD2-NH2 2.66Å; D167-R240 PolarHBondContact OD2-NH2 2.89Å |
| 168 | E | 66.2 | Low | 61.4 | Low | 46 Ų | 46 | 81.8 Ų | 81.8 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -76.6 | -32.2 | 175.3 | 179.8 | 159.8 | -94 | 0 | 0 | 113 | F164 I165 A166 I244 K248 | F164-E168 WeakPolarHBondContact O-CB 3.21Å; F164-E168 PolarHBondContact O-N 3.28Å; I165-E168 PolarHBondContact O-N 3.03Å; A166-E168 PolarHBondContact O-N 2.74Å; E168-I244 WeakPolarHBondContact OE1-CG2 3.33Å; E168-K248 WeakPolarHBondContact OE1-CE 3.38Å; E168-K248 IonicContact OE1-NZ 2.69Å; E168-K248 WeakPolarHBondContact OE2-CE 3.06Å |
| 169 | S | 57.9 | Low | 58.6 | Low | 79 Ų | 79 | 85.7 Ų | 85.7 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -79.4 | -40.7 | 176.7 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | I165 A166 G172 | I165-S169 PolarHBondContact O-N 2.99Å; A166-S169 PolarHBondContact O-N 3.25Å; A166-S169 PolarHBondContact O-OG 2.91Å; A166-S169 VanDerWaalsContact O-OG 3.04Å; S169-G172 PolarHBondContact O-N 3.32Å |
| 170 | V | 52.6 | Low | 55.7 | Low | 113 Ų | 113 | 88.7 Ų | 88.7 | 69% | 0.685 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.7 | -42.9 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | A166 G172 | A166-V170 WeakPolarHBondContact O-CG2 3.02Å; A166-V170 PolarHBondContact O-N 3.18Å; V170-G172 PolarHBondContact O-N 3.19Å |
| 171 | N | 41.5 | Very low | 52.9 | Low | 89 Ų | 89 | 89.1 Ų | 89.1 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 9.6 | 176.7 | -67.9 | -82.4 | 0 | 0 | 0 | 113.5 | D167 L176 | D167-N171 WeakPolarHBondContact O-CB 3.4Å; D167-N171 PolarHBondContact O-N 3.12Å; D167-N171 PolarHBondContact O-ND2 3.44Å; N171-L176 HydrophobicContact CB-CD1 4.02Å |
| 172 | G | 39.3 | Very low | 50.5 | Low | 53 Ų | 53 | 94.3 Ų | 94.3 | 55% | 0.546 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -28.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S169 V170 | S169-G172 PolarHBondContact O-N 3.32Å; V170-G172 PolarHBondContact O-N 3.19Å |
| 173 | N | 31.1 | Very low | 47.7 | Very low | 157 Ų | 157 | 99.9 Ų | 99.9 | 84% | 0.84 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -107.5 | -9 | -166.7 | -74.2 | -12.8 | 0 | 0 | 0 | 115.5 | ||
| 174 | E | 28 | Very low | 45.1 | Very low | 167 Ų | 167 | 100.7 Ų | 100.7 | 78% | 0.78 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -112.1 | 106.9 | 175.4 | -71.4 | -161.7 | 161.4 | 0 | 0 | 112.3 | L176 | E174-L176 PolarHBondContact O-N 2.84Š|
| 175 | H | 31.1 | Very low | 42.7 | Very low | 185 Ų | 185 | 108.2 Ų | 108.2 | 86% | 0.856 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 48.2 | 13.4 | 157.5 | -106 | -65.8 | 0 | 0 | 0 | 120.3 | E177 | H175-E177 PolarHBondContact O-N 2.58Š|
| 176 | L | 33.8 | Very low | 40.5 | Very low | 108 Ų | 108 | 108.8 Ų | 108.8 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | trans | -85.6 | 33.6 | 173.7 | -80.1 | 168.9 | 0 | 0 | 0 | 114.3 | N171 E174 F178 | N171-L176 HydrophobicContact CB-CD1 4.02Å; E174-L176 PolarHBondContact O-N 2.84Å; L176-F178 HydrophobicContact CD2-CB 3.99Å; L176-F178 HydrophobicContact CD2-CD2 4.01Å; L176-F178 HydrophobicContact CD2-CG 4.39Å; L176-F178 PolarHBondContact O-N 3.29Å | ||
| 177 | E | 31.4 | Very low | 38.5 | Very low | 181 Ų | 181 | 114.1 Ų | 114.1 | 85% | 0.846 | 62% | 0.619 | S | S | * | * | trans | -63.7 | 53.8 | 137.1 | -81.3 | -141.2 | 125.7 | 0 | 0 | 110.6 | H175 S179 | H175-E177 PolarHBondContact O-N 2.58Å; E177-S179 VanDerWaalsContact C-N 3.32Å; E177-S179 PolarHBondContact O-N 2.99Å | ||
| 178 | F | 34.2 | Very low | 37.1 | Very low | 172 Ų | 172 | 118 Ų | 118 | 75% | 0.754 | 63% | 0.633 | S | S | * | * | trans | -70.1 | 99 | 168.5 | -133.8 | -86.5 | 0 | 0 | 0 | 107.5 | L176 C180 | L176-F178 HydrophobicContact CD2-CB 3.99Å; L176-F178 HydrophobicContact CD2-CD2 4.01Å; L176-F178 HydrophobicContact CD2-CG 4.39Å; L176-F178 PolarHBondContact O-N 3.29Å; F178-C180 PolarHBondContact O-N 2.95Å | ||
| 179 | S | 30.7 | Very low | 35.9 | Very low | 85 Ų | 85 | 118.8 Ų | 118.8 | 59% | 0.594 | 64% | 0.642 | S | S | * | * | trans | -74.1 | 67.5 | -159.1 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | E177 S181 | E177-S179 VanDerWaalsContact C-N 3.32Å; E177-S179 PolarHBondContact O-N 2.99Å; S179-S181 PolarHBondContact O-N 3.35Å; S179-S181 PolarHBondContact O-OG 3.42Å | ||
| 180 | C | 29.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 72% | 0.723 | 64% | 0.639 | S | S | * | * | trans | -66.1 | 24.9 | 149.1 | -164.3 | 0 | 0 | 0 | 0 | 112.4 | F178 | F178-C180 PolarHBondContact O-N 2.95Š| ||
| 181 | S | 30.6 | Very low | 35.3 | Very low | 57 Ų | 57 | 119.7 Ų | 119.7 | 40% | 0.399 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -38.5 | 156.8 | 135.8 | 80.7 | 0 | 0 | 0 | 0 | 111.2 | S179 Q183 | S179-S181 PolarHBondContact O-N 3.35Å; S179-S181 PolarHBondContact O-OG 3.42Å; S181-Q183 PolarHBondContact O-N 3.43Å |
| 182 | S | 36.1 | Very low | 35.7 | Very low | 114 Ų | 114 | 124.2 Ų | 124.2 | 80% | 0.797 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 26.9 | -170.6 | -50.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 183 | Q | 30.6 | Very low | 36.5 | Very low | 137 Ų | 137 | 129 Ų | 129 | 64% | 0.64 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 8.6 | -163.8 | -53.1 | -150 | 64.9 | 0 | 0 | 115.5 | S181 | S181-Q183 PolarHBondContact O-N 3.43Š|
| 184 | S | 29 | Very low | 38.1 | Very low | 86 Ų | 86 | 124.9 Ų | 124.9 | 60% | 0.601 | 65% | 0.646 | S | S | * | * | trans | -131.8 | 88.2 | 170.2 | -165.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 185 | R | 34.8 | Very low | 40.4 | Very low | 171 Ų | 171 | 120 Ų | 120 | 65% | 0.645 | 63% | 0.627 | S | S | * | * | trans | -143.7 | 47.1 | 161.8 | -75.1 | -160.1 | -176.3 | 179.6 | 7.3 | 111.1 | K2070 | R185-K2070 PolarHBondContact NH1-O 3.23Š| ||
| 186 | K | 34 | Very low | 42.9 | Very low | 73 Ų | 73 | 111.2 Ų | 111.2 | 32% | 0.317 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -144.6 | 66.5 | 173.2 | -76.9 | -168.4 | -179.3 | 176.5 | 0 | 110.8 | P1552 T1555 | K186-P1552 WeakPolarHBondContact CE-O 3.16Å; K186-P1552 PolarHBondContact NZ-O 2.88Å; K186-T1555 HydrophobicContact CD-CG2 4.15Å |
| 187 | N | 37.9 | Very low | 44.9 | Very low | 157 Ų | 157 | 109.1 Ų | 109.1 | 84% | 0.84 | 58% | 0.581 | S | S | * | * | trans | 168.3 | 102.7 | 156 | -88.7 | -11.6 | 0 | 0 | 0 | 105.7 | ||||
| 188 | K | 38.6 | Very low | 47.1 | Very low | 141 Ų | 141 | 104.8 Ų | 104.8 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 137.2 | 153.2 | -77.3 | -163 | 172.5 | -163 | 0 | 106.7 | E215 | K188-E215 WeakPolarHBondContact CE-OE2 3.44Å; K188-E215 IonicContact NZ-OE2 3.15Å; K188-E215 PolarHBondContact NZ-OE2 3.17Å |
| 189 | P | 40.8 | Very low | 49.5 | Very low | 62 Ų | 62 | 98.9 Ų | 98.9 | 40% | 0.403 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 148.4 | 161.4 | 27.6 | -33 | 0 | 0 | 0 | 108.7 | ||
| 190 | P | 48 | Very low | 51.7 | Low | 78 Ų | 78 | 100.4 Ų | 100.4 | 51% | 0.506 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 148.2 | 164.4 | -22.3 | 33.9 | 0 | 0 | 0 | 109.8 | E192 K193 | P190-E192 HydrophobicContact CB-CB 4.49Å; P190-E192 PolarHBondContact O-N 2.7Å; P190-E192 VanDerWaalsContact O-N 3.08Å; P190-K193 PolarHBondContact O-N 3.23Å |
| 191 | V | 51 | Low | 53.9 | Low | 133 Ų | 133 | 99.7 Ų | 99.7 | 81% | 0.806 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -57 | -29.2 | 179.6 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | K193 M194 | V191-K193 PolarHBondContact O-N 3.27Å; V191-M194 PolarHBondContact O-N 2.91Å |
| 192 | E | 50.2 | Low | 55.7 | Low | 184 Ų | 184 | 98.9 Ų | 98.9 | 86% | 0.86 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -64.8 | 5.1 | 173.9 | -58 | 164.3 | 158.5 | 0 | 0 | 114.9 | P190 | P190-E192 HydrophobicContact CB-CB 4.49Å; P190-E192 PolarHBondContact O-N 2.7Å; P190-E192 VanDerWaalsContact O-N 3.08Å |
| 193 | K | 55.2 | Low | 57.5 | Low | 155 Ų | 155 | 97 Ų | 97 | 67% | 0.674 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -138.1 | 34.2 | 177.6 | -66.2 | -162.2 | 174.7 | -165.3 | 0 | 114.1 | P190 V191 V195 | P190-K193 PolarHBondContact O-N 3.23Å; V191-K193 PolarHBondContact O-N 3.27Å; K193-V195 PolarHBondContact O-N 3.19Å |
| 194 | M | 64.9 | Low | 59.6 | Low | 70 Ų | 70 | 93.3 Ų | 93.3 | 35% | 0.345 | 50% | 0.503 | S | S | . | . | trans | -71.8 | 113.9 | 162.5 | -73.8 | -72.5 | -148.6 | 0 | 0 | 109.4 | V191 L208 L210 A219 | V191-M194 PolarHBondContact O-N 2.91Å; M194-L208 HydrophobicContact CB-CD2 3.92Å; M194-L210 HydrophobicContact CE-CD1 4.04Å; M194-L210 HydrophobicContact CE-CD2 3.78Å; M194-L210 HydrophobicContact SD-CD2 4.1Å; M194-A219 HydrophobicContact SD-CB 4.47Å | ||
| 195 | V | 76 | Confident | 61.7 | Low | 64 Ų | 64 | 95.2 Ų | 95.2 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | trans | -116 | 148.2 | 172.2 | -62.4 | 0 | 0 | 0 | 0 | 110 | K193 S197 L201 | K193-V195 PolarHBondContact O-N 3.19Å; V195-S197 PolarHBondContact O-N 3.04Å; V195-L201 WeakPolarHBondContact CA-O 3.39Å | ||
| 196 | C | 84 | Confident | 63.6 | Low | 0 Ų | 0 | 93.6 Ų | 93.6 | 0% | 0 | 50% | 0.504 | C | S | . | . | trans | -64.9 | 129.8 | 171.9 | 164 | 0 | 0 | 0 | 0 | 110.2 | V198 C199 N200 L201 L208 A219 H221 | C196-V198 PolarHBondContact O-N 2.81Å; C196-V198 VanDerWaalsContact O-N 3.12Å; C196-V198 PolarHBondContact SG-N 3.08Å; C196-V198 VanDerWaalsContact SG-N 3.4Å; C196-C199 VanDerWaalsContact CB-SG 3.54Å; C196-C199 VanDerWaalsContact SG-SG 3.61Å; C196-N200 WeakPolarHBondContact O-CA 2.81Å; C196-N200 PolarHBondContact O-N 3.47Å; C196-L201 PolarHBondContact N-O 3.4Å; C196-L208 HydrophobicContact CB-CD1 3.83Å; C196-A219 CarbonylContact C-O 3.54Å; C196-A219 VanDerWaalsContact CA-O 3.3Å; C196-A219 WeakPolarHBondContact CA-O 3.38Å; C196-H221 WeakPolarHBondContact CB-ND1 3.3Å; C196-H221 PolarHBondContact SG-N 2.83Å | ||
| 197 | S | 75.4 | Confident | 65.8 | Low | 64 Ų | 64 | 94.2 Ų | 94.2 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 0.4 | -176.9 | 57.1 | 0 | 0 | 0 | 0 | 115.3 | V195 A219 | V195-S197 PolarHBondContact O-N 3.04Å; S197-A219 PolarHBondContact N-O 3.1Å; S197-A219 PolarHBondContact OG-O 3.44Å |
| 198 | V | 76.8 | Confident | 68 | Low | 91 Ų | 91 | 88.1 Ų | 88.1 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -51.1 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | C196 C224 | C196-V198 PolarHBondContact O-N 2.81Å; C196-V198 VanDerWaalsContact O-N 3.12Å; C196-V198 PolarHBondContact SG-N 3.08Å; C196-V198 VanDerWaalsContact SG-N 3.4Å; V198-C224 HydrophobicContact CB-CB 4.13Å; V198-C224 HydrophobicContact CG1-CB 4.32Å |
| 199 | C | 85.4 | Confident | 70 | Confident | 47 Ų | 47 | 82 Ų | 82 | 32% | 0.318 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -6.7 | -179.7 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | C196 L201 H221 | C196-C199 VanDerWaalsContact CB-SG 3.54Å; C196-C199 VanDerWaalsContact SG-SG 3.61Å; C199-L201 PolarHBondContact O-N 2.99Å; C199-L201 VanDerWaalsContact O-N 3.12Å; C199-H221 PolarHBondContact SG-ND1 3.11Å; C199-H221 VanDerWaalsContact SG-ND1 3.44Å |
| 200 | N | 77.4 | Confident | 72 | Confident | 117 Ų | 117 | 83.1 Ų | 83.1 | 63% | 0.626 | 45% | 0.448 | S | S | * | . | trans | 56.1 | 18.4 | -174.8 | -66.8 | -64.2 | 0 | 0 | 0 | 115.3 | C196 | C196-N200 WeakPolarHBondContact O-CA 2.81Å; C196-N200 PolarHBondContact O-N 3.47Å | ||
| 201 | L | 76.1 | Confident | 73.7 | Confident | 92 Ų | 92 | 80 Ų | 80 | 48% | 0.482 | 43% | 0.428 | S | S | . | . | trans | -101.5 | 146.6 | 178.9 | -70.7 | 173.1 | 0 | 0 | 0 | 112 | V195 C196 C199 N203 | V195-L201 WeakPolarHBondContact CA-O 3.39Å; C196-L201 PolarHBondContact N-O 3.4Å; C199-L201 PolarHBondContact O-N 2.99Å; C199-L201 VanDerWaalsContact O-N 3.12Å; L201-N203 WeakPolarHBondContact CB-OD1 3.39Å | ||
| 202 | G | 68.8 | Low | 75.1 | Confident | 41 Ų | 41 | 78.5 Ų | 78.5 | 42% | 0.423 | 42% | 0.415 | S | S | . | . | trans | -117.5 | 21.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 203 | N | 72.2 | Confident | 76.2 | Confident | 73 Ų | 73 | 71.6 Ų | 71.6 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | trans | -88.2 | 177.3 | 167.9 | 47.2 | -86.1 | 0 | 0 | 0 | 110.9 | L201 D205 H221 | L201-N203 WeakPolarHBondContact CB-OD1 3.39Å; N203-D205 PolarHBondContact O-N 3.29Å; N203-H221 PolarHBondContact O-NE2 3.04Å | ||
| 204 | D | 76.2 | Confident | 77.4 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 32% | 0.321 | 37% | 0.37 | S | S | . | . | trans | 54.5 | 45 | 179 | -75.3 | -72.8 | 0 | 0 | 0 | 114.8 | K206 Y207 L208 Y223 | D204-K206 PolarHBondContact O-N 3.07Å; D204-K206 WeakPolarHBondContact OD1-CE 3.08Å; D204-K206 IonicContact OD1-NZ 2.63Å; D204-Y207 HydrophobicContact CB-CD2 4.22Å; D204-Y207 PolarHBondContact O-N 2.74Å; D204-L208 PolarHBondContact O-N 3.17Å; D204-Y223 HydrophobicContact CB-CE1 4.49Å | ||
| 205 | D | 73 | Confident | 77 | Confident | 126 Ų | 126 | 68.8 Ų | 68.8 | 67% | 0.674 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -43.3 | -37.5 | 175.7 | -53.8 | 37.2 | 0 | 0 | 0 | 113.2 | N203 Y207 L208 | N203-D205 PolarHBondContact O-N 3.29Å; D205-Y207 PolarHBondContact O-N 3Å; D205-L208 PolarHBondContact O-N 3.18Å; D205-L208 VanDerWaalsContact O-N 3.12Å |
| 206 | K | 73.7 | Confident | 76.2 | Confident | 137 Ų | 137 | 69 Ų | 69 | 60% | 0.596 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -59.3 | -21.7 | 176.7 | 53.7 | 162.6 | 176.6 | 161.5 | 0 | 114.9 | D204 | D204-K206 PolarHBondContact O-N 3.07Å; D204-K206 WeakPolarHBondContact OD1-CE 3.08Å; D204-K206 IonicContact OD1-NZ 2.63Å |
| 207 | Y | 81.1 | Confident | 75.1 | Confident | 86 Ų | 86 | 76.8 Ų | 76.8 | 34% | 0.337 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -114 | 2 | 177.7 | -59.9 | -53.7 | 0 | 0 | 0 | 112.4 | D204 D205 L209 H221 T222 Y223 | D204-Y207 HydrophobicContact CB-CD2 4.22Å; D204-Y207 PolarHBondContact O-N 2.74Å; D205-Y207 PolarHBondContact O-N 3Å; Y207-L209 PolarHBondContact O-N 3.24Å; Y207-L209 VanDerWaalsContact O-N 3.16Å; Y207-H221 CarbonylContact O-C 3.54Å; Y207-H221 VanDerWaalsContact O-CA 3.27Å; Y207-H221 WeakPolarHBondContact O-CA 3.48Å; Y207-T222 PolarHBondContact O-N 3.2Å; Y207-Y223 HydrophobicContact CD2-CD1 4.29Å; Y207-Y223 AromaticContact CD2-CE1 3.87Å; Y207-Y223 HydrophobicContact CD2-CE1 3.87Å; Y207-Y223 HydrophobicContact CG-CD1 4.42Å; Y207-Y223 HydrophobicContact CG-CE1 4.23Å |
| 208 | L | 83.2 | Confident | 74.7 | Confident | 29 Ų | 29 | 74 Ų | 74 | 15% | 0.152 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 94.4 | -178.1 | -166.8 | 73.3 | 0 | 0 | 0 | 110.8 | M194 C196 D204 D205 A219 C220 | M194-L208 HydrophobicContact CB-CD2 3.92Å; C196-L208 HydrophobicContact CB-CD1 3.83Å; D204-L208 PolarHBondContact O-N 3.17Å; D205-L208 PolarHBondContact O-N 3.18Å; D205-L208 VanDerWaalsContact O-N 3.12Å; L208-A219 HydrophobicContact CD1-CB 4.38Å; L208-A219 HydrophobicContact CG-CB 4.44Å; L208-C220 CarbonylContact C-O 3.52Å |
| 209 | L | 79.9 | Confident | 74.8 | Confident | 14 Ų | 14 | 69.9 Ų | 69.9 | 7% | 0.073 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 139.5 | 170.2 | -98.7 | 167.5 | 0 | 0 | 0 | 111.3 | Y207 A219 C220 T222 L225 L229 V232 P233 W237 | Y207-L209 PolarHBondContact O-N 3.24Å; Y207-L209 VanDerWaalsContact O-N 3.16Å; L209-A219 CarbonylContact O-C 3.53Å; L209-A219 VanDerWaalsContact O-CA 3.28Å; L209-A219 WeakPolarHBondContact O-CA 3.47Å; L209-C220 WeakPolarHBondContact CA-O 3.41Å; L209-C220 WeakPolarHBondContact CB-O 3.14Å; L209-C220 PolarHBondContact N-O 3Å; L209-C220 PolarHBondContact O-N 2.87Å; L209-T222 HydrophobicContact CD1-CG2 3.9Å; L209-T222 HydrophobicContact CG-CG2 4.18Å; L209-L225 HydrophobicContact CD1-CD1 3.75Å; L209-L229 HydrophobicContact CD1-CD1 4.22Å; L209-V232 HydrophobicContact CD2-CG1 4.06Å; L209-P233 HydrophobicContact CD1-CG 4.25Å; L209-P233 HydrophobicContact CD2-CG 4.37Å; L209-W237 HydrophobicContact CB-CD2 4.44Å; L209-W237 HydrophobicContact CB-CE3 4.1Å; L209-W237 HydrophobicContact CB-CZ3 4.22Å; L209-W237 HydrophobicContact CD1-CD2 4.2Å; L209-W237 HydrophobicContact CD1-CG 4.32Å; L209-W237 HydrophobicContact CD2-CB 4.05Å; L209-W237 HydrophobicContact CD2-CD2 4.15Å; L209-W237 HydrophobicContact CD2-CE3 4.21Å; L209-W237 HydrophobicContact CD2-CG 4.05Å |
| 210 | L | 82.8 | Confident | 74.6 | Confident | 84 Ų | 84 | 68 Ų | 68 | 44% | 0.44 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137 | 175.6 | -59.4 | -180 | 0 | 0 | 0 | 110.1 | M194 D212 G218 A219 | M194-L210 HydrophobicContact CE-CD1 4.04Å; M194-L210 HydrophobicContact CE-CD2 3.78Å; M194-L210 HydrophobicContact SD-CD2 4.1Å; L210-D212 PolarHBondContact O-N 3.04Å; L210-G218 CarbonylContact C-O 3.07Å; L210-A219 HydrophobicContact CD2-CB 3.71Å |
| 211 | C | 85.3 | Confident | 75.1 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 8% | 0.081 | 33% | 0.332 | C | S | . | . | trans | -78.1 | 116.7 | -177.2 | 175.3 | 0 | 0 | 0 | 0 | 112.5 | G213 C214 G218 W237 C239 C242 | C211-G213 PolarHBondContact O-N 3.46Å; C211-G213 PolarHBondContact SG-N 3.08Å; C211-C214 PolarHBondContact O-N 2.81Å; C211-C214 PolarHBondContact SG-N 3.29Å; C211-G218 WeakPolarHBondContact CB-O 3.39Å; C211-G218 PolarHBondContact N-O 3.22Å; C211-W237 WeakPolarHBondContact CA-O 3.32Å; C211-W237 HydrophobicContact CB-CE3 4.24Å; C211-W237 HydrophobicContact CB-CZ3 3.92Å; C211-C239 HydrophobicContact CB-CB 3.98Å; C211-C239 PolarHBondContact SG-N 3.15Å; C211-C242 VanDerWaalsContact SG-SG 3.67Å | ||
| 212 | D | 79.8 | Confident | 75.4 | Confident | 102 Ų | 102 | 58.2 Ų | 58.2 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.2 | 175.1 | -65.4 | -63.4 | 0 | 0 | 0 | 113.2 | L210 N236 W237 Y238 | L210-D212 PolarHBondContact O-N 3.04Å; D212-N236 HydrophobicContact CB-CB 4.39Å; D212-N236 VanDerWaalsContact OD2-CA 3.24Å; D212-N236 WeakPolarHBondContact OD2-CA 2.77Å; D212-W237 PolarHBondContact N-O 3.29Å; D212-W237 PolarHBondContact OD2-N 2.95Å; D212-Y238 HydrophobicContact CB-CE1 4.18Å |
| 213 | G | 73.5 | Confident | 76.3 | Confident | 39 Ų | 39 | 61 Ų | 61 | 40% | 0.402 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -16.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116 | C211 C242 | C211-G213 PolarHBondContact O-N 3.46Å; C211-G213 PolarHBondContact SG-N 3.08Å; G213-C242 VanDerWaalsContact C-SG 3.55Å |
| 214 | C | 78.8 | Confident | 76.8 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | trans | -157.1 | 129.3 | 178 | 68.5 | 0 | 0 | 0 | 0 | 115 | C211 T216 C239 C242 | C211-C214 PolarHBondContact O-N 2.81Å; C211-C214 PolarHBondContact SG-N 3.29Å; C214-T216 VanDerWaalsContact C-N 3.3Å; C214-T216 PolarHBondContact O-N 2.93Å; C214-C239 VanDerWaalsContact SG-SG 3.67Å; C214-C242 VanDerWaalsContact SG-SG 3.62Å | ||
| 215 | E | 58.6 | Low | 76.6 | Confident | 139 Ų | 139 | 57.3 Ų | 57.3 | 65% | 0.65 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 8.9 | -172.8 | -53 | -178.6 | 176.9 | 0 | 0 | 115.5 | K188 | K188-E215 WeakPolarHBondContact CE-OE2 3.44Å; K188-E215 IonicContact NZ-OE2 3.15Å; K188-E215 PolarHBondContact NZ-OE2 3.17Å |
| 216 | T | 58.6 | Low | 76.2 | Confident | 68 Ų | 68 | 58.9 Ų | 58.9 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | -22.1 | -165.2 | 56.1 | 0 | 0 | 0 | 0 | 117.9 | C214 | C214-T216 VanDerWaalsContact C-N 3.3Å; C214-T216 PolarHBondContact O-N 2.93Å |
| 217 | Y | 61.4 | Low | 75.7 | Confident | 163 Ų | 163 | 56.9 Ų | 56.9 | 64% | 0.639 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.7 | 1 | -172.9 | -58.1 | -67.7 | 0 | 0 | 0 | 114.7 | ||
| 218 | G | 66.6 | Low | 75.2 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | trans | -109.4 | 50 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L210 C211 | L210-G218 CarbonylContact C-O 3.07Å; C211-G218 WeakPolarHBondContact CB-O 3.39Å; C211-G218 PolarHBondContact N-O 3.22Å | ||
| 219 | A | 78.1 | Confident | 74.9 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 5% | 0.05 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109.2 | M194 C196 S197 L208 L209 L210 | M194-A219 HydrophobicContact SD-CB 4.47Å; C196-A219 CarbonylContact C-O 3.54Å; C196-A219 VanDerWaalsContact CA-O 3.3Å; C196-A219 WeakPolarHBondContact CA-O 3.38Å; S197-A219 PolarHBondContact N-O 3.1Å; S197-A219 PolarHBondContact OG-O 3.44Å; L208-A219 HydrophobicContact CD1-CB 4.38Å; L208-A219 HydrophobicContact CG-CB 4.44Å; L209-A219 CarbonylContact O-C 3.53Å; L209-A219 VanDerWaalsContact O-CA 3.28Å; L209-A219 WeakPolarHBondContact O-CA 3.47Å; L210-A219 HydrophobicContact CD2-CB 3.71Å |
| 220 | C | 81.8 | Confident | 74.5 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 5% | 0.054 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 144.3 | 177.6 | -68.9 | 0 | 0 | 0 | 0 | 110.9 | L208 L209 L225 W237 | L208-C220 CarbonylContact C-O 3.52Å; L209-C220 WeakPolarHBondContact CA-O 3.41Å; L209-C220 WeakPolarHBondContact CB-O 3.14Å; L209-C220 PolarHBondContact N-O 3Å; L209-C220 PolarHBondContact O-N 2.87Å; C220-L225 HydrophobicContact CB-CD2 3.54Å; C220-L225 HydrophobicContact CB-CG 4.3Å; C220-W237 HydrophobicContact CB-CH2 4.12Å |
| 221 | H | 87.9 | Confident | 74 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 145.2 | 163.8 | -62.2 | 107.2 | 0 | 0 | 0 | 110.4 | C196 C199 N203 Y207 Y223 C224 L225 | C196-H221 WeakPolarHBondContact CB-ND1 3.3Å; C196-H221 PolarHBondContact SG-N 2.83Å; C199-H221 PolarHBondContact SG-ND1 3.11Å; C199-H221 VanDerWaalsContact SG-ND1 3.44Å; N203-H221 PolarHBondContact O-NE2 3.04Å; Y207-H221 CarbonylContact O-C 3.54Å; Y207-H221 VanDerWaalsContact O-CA 3.27Å; Y207-H221 WeakPolarHBondContact O-CA 3.48Å; H221-Y223 HydrophobicContact CB-CD1 3.99Å; H221-Y223 HydrophobicContact CB-CD2 3.93Å; H221-Y223 HydrophobicContact CB-CE1 3.7Å; H221-Y223 HydrophobicContact CB-CE2 3.61Å; H221-Y223 HydrophobicContact CB-CG 4.11Å; H221-Y223 VanDerWaalsContact CB-CZ 3.49Å; H221-Y223 AromaticContact CD2-CZ 3.76Å; H221-Y223 PolarHBondContact CD2-OH 2.81Å; H221-Y223 AromaticContact CG-CE1 3.96Å; H221-Y223 AromaticContact CG-CE2 3.82Å; H221-Y223 AromaticContact CG-CZ 3.44Å; H221-Y223 VanDerWaalsContact CG-CZ 3.44Å; H221-Y223 AromaticContact ND1-CZ 3.95Å; H221-Y223 PolarHBondContact O-N 2.97Å; H221-C224 HydrophobicContact CB-CB 3.94Å; H221-C224 CarbonylContact O-C 3.48Å; H221-C224 WeakPolarHBondContact O-CA 3.29Å; H221-C224 PolarHBondContact O-N 2.75Å; H221-L225 PolarHBondContact O-N 3.14Å |
| 222 | T | 82.9 | Confident | 73.3 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -52.4 | -40.8 | 174.1 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | Y207 L209 L225 L229 V232 | Y207-T222 PolarHBondContact O-N 3.2Å; L209-T222 HydrophobicContact CD1-CG2 3.9Å; L209-T222 HydrophobicContact CG-CG2 4.18Å; T222-L225 PolarHBondContact O-N 2.96Å; T222-L229 CarbonylContact C-O 3.52Å; T222-L229 VanDerWaalsContact CB-O 3.23Å; T222-L229 WeakPolarHBondContact CB-O 3.33Å; T222-L229 PolarHBondContact O-N 2.86Å; T222-L229 PolarHBondContact OG1-O 3.1Å; T222-V232 HydrophobicContact CG2-CG2 4.24Å |
| 223 | Y | 86 | Confident | 72.9 | Confident | 100 Ų | 100 | 65 Ų | 65 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -80.3 | -7.6 | 176.6 | 59.5 | -102.6 | 0 | 0 | 0 | 115.2 | D204 Y207 H221 | D204-Y223 HydrophobicContact CB-CE1 4.49Å; Y207-Y223 HydrophobicContact CD2-CD1 4.29Å; Y207-Y223 AromaticContact CD2-CE1 3.87Å; Y207-Y223 HydrophobicContact CD2-CE1 3.87Å; Y207-Y223 HydrophobicContact CG-CD1 4.42Å; Y207-Y223 HydrophobicContact CG-CE1 4.23Å; H221-Y223 HydrophobicContact CB-CD1 3.99Å; H221-Y223 HydrophobicContact CB-CD2 3.93Å; H221-Y223 HydrophobicContact CB-CE1 3.7Å; H221-Y223 HydrophobicContact CB-CE2 3.61Å; H221-Y223 HydrophobicContact CB-CG 4.11Å; H221-Y223 VanDerWaalsContact CB-CZ 3.49Å; H221-Y223 AromaticContact CD2-CZ 3.76Å; H221-Y223 PolarHBondContact CD2-OH 2.81Å; H221-Y223 AromaticContact CG-CE1 3.96Å; H221-Y223 AromaticContact CG-CE2 3.82Å; H221-Y223 AromaticContact CG-CZ 3.44Å; H221-Y223 VanDerWaalsContact CG-CZ 3.44Å; H221-Y223 AromaticContact ND1-CZ 3.95Å; H221-Y223 PolarHBondContact O-N 2.97Å |
| 224 | C | 82.4 | Confident | 72.3 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 18% | 0.182 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -100.7 | 7.6 | 171.5 | -70 | 0 | 0 | 0 | 0 | 112.6 | V198 H221 | V198-C224 HydrophobicContact CB-CB 4.13Å; V198-C224 HydrophobicContact CG1-CB 4.32Å; H221-C224 HydrophobicContact CB-CB 3.94Å; H221-C224 CarbonylContact O-C 3.48Å; H221-C224 WeakPolarHBondContact O-CA 3.29Å; H221-C224 PolarHBondContact O-N 2.75Å |
| 225 | L | 73.7 | Confident | 71.8 | Confident | 28 Ų | 28 | 75.3 Ų | 75.3 | 15% | 0.147 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -80.6 | 157.6 | 166.1 | -62.7 | 178 | 0 | 0 | 0 | 110.3 | L209 C220 H221 T222 P227 P228 L229 W237 | L209-L225 HydrophobicContact CD1-CD1 3.75Å; C220-L225 HydrophobicContact CB-CD2 3.54Å; C220-L225 HydrophobicContact CB-CG 4.3Å; H221-L225 PolarHBondContact O-N 3.14Å; T222-L225 PolarHBondContact O-N 2.96Å; L225-P227 CarbonylContact C-O 3.25Å; L225-P227 CarbonylContact O-C 3.44Å; L225-P227 VanDerWaalsContact O-C 3.25Å; L225-P228 VanDerWaalsContact O-CA 3.22Å; L225-P228 WeakPolarHBondContact O-CA 2.99Å; L225-P228 WeakPolarHBondContact O-CD 3.45Å; L225-L229 HydrophobicContact CD1-CD1 3.65Å; L225-L229 HydrophobicContact CD1-CG 3.94Å; L225-W237 HydrophobicContact CD1-CZ2 4.13Å; L225-W237 HydrophobicContact CD2-CH2 4.15Å; L225-W237 HydrophobicContact CD2-CZ2 3.54Å |
| 226 | D | 64.9 | Low | 72.5 | Confident | 159 Ų | 159 | 72.5 Ų | 72.5 | 85% | 0.85 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -118.4 | 116.3 | 166.8 | -175.3 | 19.4 | 0 | 0 | 0 | 109.1 | ||
| 227 | P | 61.6 | Low | 73.6 | Confident | 96 Ų | 96 | 71.1 Ų | 71.1 | 62% | 0.623 | 39% | 0.391 | S | S | * | . | S | Bend | cis | -68.2 | 152.7 | -9.8 | 30.9 | -35.8 | 0 | 0 | 0 | 112.1 | L225 | L225-P227 CarbonylContact C-O 3.25Å; L225-P227 CarbonylContact O-C 3.44Å; L225-P227 VanDerWaalsContact O-C 3.25Å |
| 228 | P | 71.9 | Confident | 74.5 | Confident | 86 Ų | 86 | 65.4 Ų | 65.4 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 137.5 | 179.8 | 26.4 | -34.2 | 0 | 0 | 0 | 111.7 | L225 | L225-P228 VanDerWaalsContact O-CA 3.22Å; L225-P228 WeakPolarHBondContact O-CA 2.99Å; L225-P228 WeakPolarHBondContact O-CD 3.45Å |
| 229 | L | 75.5 | Confident | 75.3 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 32% | 0.319 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 137.3 | 178 | -57.2 | -178 | 0 | 0 | 0 | 110.8 | L209 T222 L225 P233 | L209-L229 HydrophobicContact CD1-CD1 4.22Å; T222-L229 CarbonylContact C-O 3.52Å; T222-L229 VanDerWaalsContact CB-O 3.23Å; T222-L229 WeakPolarHBondContact CB-O 3.33Å; T222-L229 PolarHBondContact O-N 2.86Å; T222-L229 PolarHBondContact OG1-O 3.1Å; L225-L229 HydrophobicContact CD1-CD1 3.65Å; L225-L229 HydrophobicContact CD1-CG 3.94Å; L229-P233 HydrophobicContact CD1-CG 4.04Å |
| 230 | S | 72.3 | Confident | 75.2 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 70% | 0.699 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -71.2 | -34.4 | 173.1 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 231 | D | 71.5 | Confident | 74.9 | Confident | 114 Ų | 114 | 74.6 Ų | 74.6 | 61% | 0.61 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -137.3 | 161.1 | -168.7 | -63.1 | -89.9 | 0 | 0 | 0 | 111.2 | P233 | D231-P233 WeakPolarHBondContact O-CD 3.43Š|
| 232 | V | 71.7 | Confident | 74.7 | Confident | 84 Ų | 84 | 75.1 Ų | 75.1 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | trans | -69.7 | 119.9 | 173 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | L209 T222 | L209-V232 HydrophobicContact CD2-CG1 4.06Å; T222-V232 HydrophobicContact CG2-CG2 4.24Å | ||
| 233 | P | 70.1 | Confident | 74.6 | Confident | 52 Ų | 52 | 76.3 Ų | 76.3 | 34% | 0.338 | 42% | 0.422 | S | S | . | . | trans | -65.6 | 143.3 | -175.9 | 25.6 | -34.7 | 0 | 0 | 0 | 112.7 | L209 L229 D231 G235 W237 | L209-P233 HydrophobicContact CD1-CG 4.25Å; L209-P233 HydrophobicContact CD2-CG 4.37Å; L229-P233 HydrophobicContact CD1-CG 4.04Å; D231-P233 WeakPolarHBondContact O-CD 3.43Å; P233-G235 PolarHBondContact O-N 3.44Å; P233-G235 VanDerWaalsContact O-N 3.15Å; P233-W237 HydrophobicContact CG-CB 4.4Å; P233-W237 HydrophobicContact CG-CG 4.48Å | ||
| 234 | K | 62.5 | Low | 74.3 | Confident | 222 Ų | 222 | 74 Ų | 74 | 97% | 0.965 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -85.1 | 82.1 | -178.9 | -65.7 | 175.8 | -177.4 | 170.5 | 0 | 111.2 | ||
| 235 | G | 68.3 | Low | 74.1 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 64% | 0.639 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 175.5 | -161.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | P233 | P233-G235 PolarHBondContact O-N 3.44Å; P233-G235 VanDerWaalsContact O-N 3.15Å |
| 236 | N | 71.8 | Confident | 74.4 | Confident | 79 Ų | 79 | 79.1 Ų | 79.1 | 42% | 0.422 | 43% | 0.429 | S | S | . | . | trans | -77.7 | 142.4 | 160.1 | -43 | -61.9 | 0 | 0 | 0 | 108 | D94 D212 Y238 | D94-N236 PolarHBondContact OD2-ND2 2.73Å; D212-N236 HydrophobicContact CB-CB 4.39Å; D212-N236 VanDerWaalsContact OD2-CA 3.24Å; D212-N236 WeakPolarHBondContact OD2-CA 2.77Å; N236-Y238 HydrophobicContact CB-CE2 3.9Å | ||
| 237 | W | 81.8 | Confident | 75.2 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 15% | 0.148 | 39% | 0.392 | C | S | . | . | trans | -119 | 134 | 170.9 | -178.8 | 81.2 | 0 | 0 | 0 | 111.1 | L209 C211 D212 C220 L225 P233 C239 | L209-W237 HydrophobicContact CB-CD2 4.44Å; L209-W237 HydrophobicContact CB-CE3 4.1Å; L209-W237 HydrophobicContact CB-CZ3 4.22Å; L209-W237 HydrophobicContact CD1-CD2 4.2Å; L209-W237 HydrophobicContact CD1-CG 4.32Å; L209-W237 HydrophobicContact CD2-CB 4.05Å; L209-W237 HydrophobicContact CD2-CD2 4.15Å; L209-W237 HydrophobicContact CD2-CE3 4.21Å; L209-W237 HydrophobicContact CD2-CG 4.05Å; C211-W237 WeakPolarHBondContact CA-O 3.32Å; C211-W237 HydrophobicContact CB-CE3 4.24Å; C211-W237 HydrophobicContact CB-CZ3 3.92Å; D212-W237 PolarHBondContact N-O 3.29Å; D212-W237 PolarHBondContact OD2-N 2.95Å; C220-W237 HydrophobicContact CB-CH2 4.12Å; L225-W237 HydrophobicContact CD1-CZ2 4.13Å; L225-W237 HydrophobicContact CD2-CH2 4.15Å; L225-W237 HydrophobicContact CD2-CZ2 3.54Å; P233-W237 HydrophobicContact CG-CB 4.4Å; P233-W237 HydrophobicContact CG-CG 4.48Å; W237-C239 HydrophobicContact CH2-CB 3.88Å; W237-C239 HydrophobicContact CZ3-CB 4.25Å | ||
| 238 | Y | 80 | Confident | 75.9 | Confident | 44 Ų | 44 | 73.7 Ų | 73.7 | 17% | 0.173 | 39% | 0.388 | C | S | . | . | trans | -120.7 | 128.1 | -177.4 | -58 | -70.9 | 0 | 0 | 0 | 110.6 | D212 N236 I243 R246 | D212-Y238 HydrophobicContact CB-CE1 4.18Å; N236-Y238 HydrophobicContact CB-CE2 3.9Å; Y238-I243 WeakPolarHBondContact O-CD1 3.3Å; Y238-R246 PolarHBondContact OH-NH1 2.93Å | ||
| 239 | C | 83.7 | Confident | 76 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | trans | -66.2 | 159.3 | 170.8 | 73.4 | 0 | 0 | 0 | 0 | 111.6 | C211 C214 W237 S241 C242 I243 | C211-C239 HydrophobicContact CB-CB 3.98Å; C211-C239 PolarHBondContact SG-N 3.15Å; C214-C239 VanDerWaalsContact SG-SG 3.67Å; W237-C239 HydrophobicContact CH2-CB 3.88Å; W237-C239 HydrophobicContact CZ3-CB 4.25Å; C239-S241 VanDerWaalsContact C-N 3.28Å; C239-S241 PolarHBondContact O-N 3.45Å; C239-S241 VanDerWaalsContact O-N 3.13Å; C239-C242 WeakPolarHBondContact O-CA 3.31Å; C239-C242 WeakPolarHBondContact O-CB 3.48Å; C239-C242 PolarHBondContact O-N 2.81Å; C239-I243 PolarHBondContact O-N 3.4Å; C239-I243 VanDerWaalsContact O-N 3.11Å | ||
| 240 | R | 76.5 | Confident | 75.7 | Confident | 127 Ų | 127 | 71.1 Ų | 71.1 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -49.7 | -43.2 | -175.3 | -167.9 | 169.8 | -176 | 157.6 | 10.8 | 113.7 | D167 C242 I243 I244 | D167-R240 VanDerWaalsContact CG-NH2 3.34Å; D167-R240 IonicContact OD2-CZ 3.07Å; D167-R240 IonicContact OD2-NH1 2.75Å; D167-R240 PolarHBondContact OD2-NH1 3.2Å; D167-R240 IonicContact OD2-NH2 2.66Å; D167-R240 PolarHBondContact OD2-NH2 2.89Å; R240-C242 VanDerWaalsContact C-N 3.28Å; R240-C242 PolarHBondContact O-N 3.47Å; R240-I243 PolarHBondContact O-N 2.7Å; R240-I244 HydrophobicContact CG-CD1 4.19Å; R240-I244 WeakPolarHBondContact O-CG1 3.42Å; R240-I244 PolarHBondContact O-N 2.94Å |
| 241 | S | 76 | Confident | 75.7 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.5 | -27 | 178.1 | -38.3 | 0 | 0 | 0 | 0 | 114 | C239 R245 | C239-S241 VanDerWaalsContact C-N 3.28Å; C239-S241 PolarHBondContact O-N 3.45Å; C239-S241 VanDerWaalsContact O-N 3.13Å; S241-R245 WeakPolarHBondContact O-CB 3.46Å; S241-R245 PolarHBondContact O-N 3.2Å |
| 242 | C | 82.6 | Confident | 75.2 | Confident | 11 Ų | 11 | 68.5 Ų | 68.5 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -81.4 | -34.9 | 174.9 | -75.1 | 0 | 0 | 0 | 0 | 112 | C211 G213 C214 C239 R240 R245 R246 | C211-C242 VanDerWaalsContact SG-SG 3.67Å; G213-C242 VanDerWaalsContact C-SG 3.55Å; C214-C242 VanDerWaalsContact SG-SG 3.62Å; C239-C242 WeakPolarHBondContact O-CA 3.31Å; C239-C242 WeakPolarHBondContact O-CB 3.48Å; C239-C242 PolarHBondContact O-N 2.81Å; R240-C242 VanDerWaalsContact C-N 3.28Å; R240-C242 PolarHBondContact O-N 3.47Å; C242-R245 PolarHBondContact O-N 3.45Å; C242-R246 WeakPolarHBondContact O-CB 3.48Å; C242-R246 PolarHBondContact O-N 2.97Å |
| 243 | I | 81 | Confident | 74.3 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 14% | 0.138 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 170.8 | -61.8 | 169.2 | 0 | 0 | 0 | 109.4 | A92 Q93 F164 Y238 C239 R240 R245 R246 Y247 | A92-I243 HydrophobicContact CB-CG2 4.12Å; Q93-I243 HydrophobicContact CG-CD1 4.25Å; Q93-I243 HydrophobicContact CG-CG2 4.15Å; F164-I243 HydrophobicContact CE2-CG2 3.96Å; F164-I243 HydrophobicContact CZ-CG2 4.49Å; Y238-I243 WeakPolarHBondContact O-CD1 3.3Å; C239-I243 PolarHBondContact O-N 3.4Å; C239-I243 VanDerWaalsContact O-N 3.11Å; R240-I243 PolarHBondContact O-N 2.7Å; I243-R245 PolarHBondContact O-N 3.12Å; I243-R246 WeakPolarHBondContact O-CA 3.19Å; I243-R246 WeakPolarHBondContact O-CB 3.37Å; I243-R246 PolarHBondContact O-N 2.92Å; I243-Y247 WeakPolarHBondContact O-CB 3Å; I243-Y247 PolarHBondContact O-N 3.01Å |
| 244 | I | 79.7 | Confident | 73.3 | Confident | 50 Ų | 50 | 71.3 Ų | 71.3 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.8 | -47.5 | 175 | -68 | 166.1 | 0 | 0 | 0 | 111.5 | F164 E168 R240 R246 Y247 K248 | F164-I244 HydrophobicContact CE2-CG1 3.64Å; F164-I244 HydrophobicContact CZ-CG1 3.82Å; E168-I244 WeakPolarHBondContact OE1-CG2 3.33Å; R240-I244 HydrophobicContact CG-CD1 4.19Å; R240-I244 WeakPolarHBondContact O-CG1 3.42Å; R240-I244 PolarHBondContact O-N 2.94Å; I244-R246 PolarHBondContact O-N 2.73Å; I244-Y247 PolarHBondContact O-N 2.93Å; I244-K248 HydrophobicContact CG2-CD 4.48Å; I244-K248 HydrophobicContact CG2-CG 4.41Å; I244-K248 WeakPolarHBondContact O-CB 3.45Å; I244-K248 PolarHBondContact O-N 2.96Å |
| 245 | R | 77.7 | Confident | 72.5 | Confident | 129 Ų | 129 | 63.8 Ų | 63.8 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.2 | -14.1 | 177.7 | -162.3 | -172.5 | -64.7 | 121.9 | 1.6 | 114 | S241 C242 I243 | S241-R245 WeakPolarHBondContact O-CB 3.46Å; S241-R245 PolarHBondContact O-N 3.2Å; C242-R245 PolarHBondContact O-N 3.45Å; I243-R245 PolarHBondContact O-N 3.12Å |
| 246 | R | 80.7 | Confident | 71.9 | Confident | 35 Ų | 35 | 62.9 Ų | 62.9 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -91.2 | -44.5 | 173.7 | -173.5 | 167.3 | 170.5 | 174.1 | -9.9 | 110.4 | E91 A92 D94 Y238 C242 I243 I244 R249 L250 | E91-R246 PolarHBondContact O-NE 2.96Å; E91-R246 PolarHBondContact O-NH2 3.44Å; A92-R246 HydrophobicContact CB-CB 4.04Å; A92-R246 HydrophobicContact CB-CG 3.95Å; D94-R246 IonicContact OD1-CZ 3.34Å; D94-R246 IonicContact OD1-NH1 3.8Å; D94-R246 PolarHBondContact OD1-NH1 2.8Å; D94-R246 IonicContact OD1-NH2 3.55Å; D94-R246 PolarHBondContact OD1-NH2 3.42Å; D94-R246 IonicContact OD2-NH1 2.9Å; Y238-R246 PolarHBondContact OH-NH1 2.93Å; C242-R246 WeakPolarHBondContact O-CB 3.48Å; C242-R246 PolarHBondContact O-N 2.97Å; I243-R246 WeakPolarHBondContact O-CA 3.19Å; I243-R246 WeakPolarHBondContact O-CB 3.37Å; I243-R246 PolarHBondContact O-N 2.92Å; I244-R246 PolarHBondContact O-N 2.73Å; R246-R249 VanDerWaalsContact O-CB 3.32Å; R246-R249 WeakPolarHBondContact O-CB 3.29Å; R246-R249 PolarHBondContact O-N 3.15Å; R246-R249 VanDerWaalsContact O-N 3.15Å; R246-L250 HydrophobicContact CG-CD1 4.18Å; R246-L250 WeakPolarHBondContact O-CG 3.17Å; R246-L250 PolarHBondContact O-N 2.78Å |
| 247 | Y | 82.5 | Confident | 71.1 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.9 | -56 | 171.9 | 175.1 | -97.6 | 0 | 0 | 0 | 112.6 | S85 F89 F164 I165 I243 I244 R249 L250 N251 | S85-Y247 PolarHBondContact OG-OH 3.4Å; F89-Y247 HydrophobicContact CB-CD2 4.01Å; F89-Y247 HydrophobicContact CB-CE2 4.11Å; F164-Y247 AromaticContact CE1-CD1 3.52Å; F164-Y247 HydrophobicContact CE1-CD1 3.52Å; F164-Y247 AromaticContact CE1-CD2 3.99Å; F164-Y247 HydrophobicContact CE1-CD2 3.99Å; F164-Y247 AromaticContact CE1-CE1 3.8Å; F164-Y247 HydrophobicContact CE1-CE1 3.8Å; F164-Y247 HydrophobicContact CE1-CE2 4.21Å; F164-Y247 AromaticContact CE1-CG 3.64Å; F164-Y247 HydrophobicContact CE1-CG 3.64Å; F164-Y247 AromaticContact CZ-CD1 3.9Å; F164-Y247 HydrophobicContact CZ-CD1 3.9Å; F164-Y247 HydrophobicContact CZ-CD2 4.49Å; F164-Y247 AromaticContact CZ-CG 3.86Å; F164-Y247 HydrophobicContact CZ-CG 3.86Å; I165-Y247 HydrophobicContact CD1-CE1 4.37Å; I165-Y247 WeakPolarHBondContact CD1-OH 3.23Å; I243-Y247 WeakPolarHBondContact O-CB 3Å; I243-Y247 PolarHBondContact O-N 3.01Å; I244-Y247 PolarHBondContact O-N 2.93Å; Y247-R249 PolarHBondContact O-N 2.84Å; Y247-L250 PolarHBondContact O-N 3.5Å; Y247-L250 VanDerWaalsContact O-N 3.15Å; Y247-N251 WeakPolarHBondContact CE2-ND2 3.38Å; Y247-N251 PolarHBondContact O-N 2.94Å; Y247-N251 PolarHBondContact OH-ND2 2.83Å; Y247-N251 VanDerWaalsContact OH-ND2 3.15Å |
| 248 | K | 75.6 | Confident | 70.6 | Confident | 122 Ų | 122 | 59.8 Ų | 59.8 | 53% | 0.53 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -3.4 | 175.2 | -66.6 | -157.8 | -175.3 | -163.3 | 0 | 114.9 | E168 I244 | E168-K248 WeakPolarHBondContact OE1-CE 3.38Å; E168-K248 IonicContact OE1-NZ 2.69Å; E168-K248 WeakPolarHBondContact OE2-CE 3.06Å; I244-K248 HydrophobicContact CG2-CD 4.48Å; I244-K248 HydrophobicContact CG2-CG 4.41Å; I244-K248 WeakPolarHBondContact O-CB 3.45Å; I244-K248 PolarHBondContact O-N 2.96Å |
| 249 | R | 74.2 | Confident | 70.4 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -95.4 | -50.8 | 172.9 | -158.9 | -164.8 | -36.9 | 148.6 | 10.4 | 110.4 | R246 Y247 N251 R252 | R246-R249 VanDerWaalsContact O-CB 3.32Å; R246-R249 WeakPolarHBondContact O-CB 3.29Å; R246-R249 PolarHBondContact O-N 3.15Å; R246-R249 VanDerWaalsContact O-N 3.15Å; Y247-R249 PolarHBondContact O-N 2.84Å; R249-N251 VanDerWaalsContact C-N 3.33Å; R249-R252 WeakPolarHBondContact O-CD 2.79Å; R249-R252 VanDerWaalsContact O-CG 3.26Å; R249-R252 WeakPolarHBondContact O-CG 3.29Å; R249-R252 PolarHBondContact O-N 2.5Å |
| 250 | L | 70.4 | Confident | 70.2 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.7 | -32 | 179.2 | -69.5 | 168.2 | 0 | 0 | 0 | 113.1 | N88 E91 R246 Y247 R252 V2421 | N88-L250 HydrophobicContact CB-CB 3.78Å; N88-L250 HydrophobicContact CB-CD1 4.18Å; N88-L250 PolarHBondContact ND2-O 3.37Å; N88-L250 VanDerWaalsContact ND2-O 3.12Å; N88-L250 WeakPolarHBondContact O-CD1 3.44Å; E91-L250 HydrophobicContact CB-CD1 4.33Å; R246-L250 HydrophobicContact CG-CD1 4.18Å; R246-L250 WeakPolarHBondContact O-CG 3.17Å; R246-L250 PolarHBondContact O-N 2.78Å; Y247-L250 PolarHBondContact O-N 3.5Å; Y247-L250 VanDerWaalsContact O-N 3.15Å; L250-R252 VanDerWaalsContact C-N 3.3Å; L250-R252 PolarHBondContact O-N 3.09Å; L250-V2421 HydrophobicContact CD2-CB 4.25Å; L250-V2421 HydrophobicContact CD2-CG1 3.94Å |
| 251 | N | 71.5 | Confident | 70.4 | Confident | 26 Ų | 26 | 57.3 Ų | 57.3 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 41.9 | 173.9 | -70.3 | -6 | 0 | 0 | 0 | 111.9 | S85 N88 Y247 R249 | S85-N251 WeakPolarHBondContact CA-ND2 3.38Å; S85-N251 WeakPolarHBondContact CB-ND2 3.4Å; S85-N251 PolarHBondContact OG-ND2 3.47Å; N88-N251 VanDerWaalsContact CB-OD1 3.27Å; N88-N251 WeakPolarHBondContact CB-OD1 3.34Å; N88-N251 PolarHBondContact ND2-OD1 3.41Å; Y247-N251 WeakPolarHBondContact CE2-ND2 3.38Å; Y247-N251 PolarHBondContact O-N 2.94Å; Y247-N251 PolarHBondContact OH-ND2 2.83Å; Y247-N251 VanDerWaalsContact OH-ND2 3.15Å; R249-N251 VanDerWaalsContact C-N 3.33Å |
| 252 | R | 61.7 | Low | 70.5 | Confident | 134 Ų | 134 | 59.1 Ų | 59.1 | 51% | 0.506 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 123 | 162.5 | -78 | 173.8 | 175.5 | -164.8 | -4 | 108 | R249 L250 E254 | R249-R252 WeakPolarHBondContact O-CD 2.79Å; R249-R252 VanDerWaalsContact O-CG 3.26Å; R249-R252 WeakPolarHBondContact O-CG 3.29Å; R249-R252 PolarHBondContact O-N 2.5Å; L250-R252 VanDerWaalsContact C-N 3.3Å; L250-R252 PolarHBondContact O-N 3.09Å; R252-E254 PolarHBondContact O-N 3.37Å; R252-E254 VanDerWaalsContact O-N 3.16Å |
| 253 | Y | 51.3 | Low | 70.5 | Confident | 80 Ų | 80 | 62 Ų | 62 | 31% | 0.314 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 119.7 | 176.4 | -83.6 | -93.2 | 0 | 0 | 0 | 110.8 | H81 F256 N431 | H81-Y253 AromaticContact CD2-CE1 3.96Å; H81-Y253 AromaticContact CD2-CZ 3.93Å; H81-Y253 AromaticContact CE1-CZ 3.61Å; H81-Y253 PolarHBondContact CE1-OH 2.91Å; H81-Y253 PolarHBondContact ND1-OH 2.9Å; H81-Y253 AromaticContact NE2-CE1 3.91Å; H81-Y253 AromaticContact NE2-CE2 3.85Å; H81-Y253 AromaticContact NE2-CZ 3.42Å; H81-Y253 PolarHBondContact NE2-OH 3.39Å; Y253-F256 HydrophobicContact CD1-CE2 4.19Å; Y253-F256 AromaticContact CD1-CZ 3.82Å; Y253-F256 HydrophobicContact CD1-CZ 3.82Å; Y253-F256 HydrophobicContact CE1-CZ 4.01Å; Y253-N431 HydrophobicContact CE1-CB 4.27Å; Y253-N431 HydrophobicContact CE2-CB 3.87Å; Y253-N431 WeakPolarHBondContact OH-CB 3.36Å; Y253-N431 PolarHBondContact OH-ND2 3.14Å; Y253-N431 PolarHBondContact OH-OD1 3.39Å |
| 254 | E | 48.9 | Very low | 71 | Confident | 114 Ų | 114 | 64.8 Ų | 64.8 | 53% | 0.533 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 132.9 | 157 | -69.3 | -164.4 | 138.7 | 0 | 0 | 107.2 | R252 | R252-E254 PolarHBondContact O-N 3.37Å; R252-E254 VanDerWaalsContact O-N 3.16Å |
| 255 | V | 46.1 | Very low | 71.6 | Confident | 65 Ų | 65 | 64.1 Ų | 64.1 | 39% | 0.394 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 135.9 | -175.3 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | G257 A2384 | V255-G257 PolarHBondContact O-N 2.95Å; V255-G257 VanDerWaalsContact O-N 3.12Å; V255-A2384 HydrophobicContact CB-CB 3.78Å; V255-A2384 HydrophobicContact CG1-CB 4.39Å; V255-A2384 HydrophobicContact CG2-CB 3.76Å |
| 256 | F | 55.4 | Low | 72.4 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 18% | 0.184 | 28% | 0.283 | C | S | . | . | trans | -70.6 | 105.5 | -171.2 | -57.8 | -81.2 | 0 | 0 | 0 | 111.6 | Y253 L428 L435 H438 T440 | Y253-F256 HydrophobicContact CD1-CE2 4.19Å; Y253-F256 AromaticContact CD1-CZ 3.82Å; Y253-F256 HydrophobicContact CD1-CZ 3.82Å; Y253-F256 HydrophobicContact CE1-CZ 4.01Å; F256-L428 HydrophobicContact CZ-CD2 4.48Å; F256-L435 HydrophobicContact CE2-CD1 4.35Å; F256-L435 HydrophobicContact CZ-CD1 4.43Å; F256-H438 HydrophobicContact CB-CB 4.41Å; F256-H438 AromaticContact CD2-CE1 3.84Å; F256-H438 AromaticContact CD2-ND1 3.3Å; F256-H438 VanDerWaalsContact CD2-ND1 3.3Å; F256-H438 WeakPolarHBondContact CD2-ND1 3.35Å; F256-H438 AromaticContact CG-ND1 3.94Å; F256-T440 WeakPolarHBondContact CB-OG1 3.33Å | ||
| 257 | G | 56.1 | Low | 73.1 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | trans | -155.3 | 152.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | V255 K259 | V255-G257 PolarHBondContact O-N 2.95Å; V255-G257 VanDerWaalsContact O-N 3.12Å; G257-K259 PolarHBondContact O-N 3.43Å | ||
| 258 | F | 71.3 | Confident | 73.6 | Confident | 24 Ų | 24 | 61 Ų | 61 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | trans | -90.6 | 86.5 | -177.7 | -72.9 | -58.1 | 0 | 0 | 0 | 112.8 | R65 Q67 V72 S260 Y313 T440 | R65-F258 HydrophobicContact CB-CB 4.29Å; R65-F258 WeakPolarHBondContact CB-O 3.29Å; R65-F258 WeakPolarHBondContact CG-O 3.2Å; Q67-F258 HydrophobicContact CB-CD1 4.19Å; Q67-F258 HydrophobicContact CB-CE1 4.17Å; Q67-F258 HydrophobicContact CG-CD1 3.73Å; Q67-F258 HydrophobicContact CG-CE1 3.92Å; Q67-F258 HydrophobicContact CG-CG 4.07Å; Q67-F258 HydrophobicContact CG-CZ 4.4Å; V72-F258 HydrophobicContact CG1-CZ 4.31Å; V72-F258 HydrophobicContact CG2-CE1 4.13Å; V72-F258 HydrophobicContact CG2-CZ 4.35Å; F258-S260 PolarHBondContact O-N 3.36Å; F258-Y313 HydrophobicContact CB-CE1 4.45Å; F258-Y313 VanDerWaalsContact CD2-OH 3.31Å; F258-Y313 WeakPolarHBondContact CD2-OH 3.39Å; F258-T440 HydrophobicContact CD2-CG2 3.88Å; F258-T440 HydrophobicContact CE2-CG2 3.71Å; F258-T440 HydrophobicContact CG-CG2 4.42Å; F258-T440 HydrophobicContact CZ-CG2 4.11Å | ||
| 259 | K | 75.5 | Confident | 74.6 | Confident | 104 Ų | 104 | 58 Ų | 58 | 45% | 0.452 | 29% | 0.285 | S | S | . | . | trans | -20.7 | 101.5 | 174.3 | -61.2 | 168.6 | -174.6 | 148.2 | 0 | 113.6 | V66 G257 E2383 V2405 | V66-K259 WeakPolarHBondContact CB-O 3.43Å; V66-K259 WeakPolarHBondContact CG2-O 3.49Å; V66-K259 PolarHBondContact N-O 2.75Å; G257-K259 PolarHBondContact O-N 3.43Å; K259-E2383 PolarHBondContact N-OE2 3.04Å; K259-V2405 HydrophobicContact CB-CG2 3.55Å; K259-V2405 HydrophobicContact CG-CG2 3.88Å | ||
| 260 | S | 78.9 | Confident | 75.7 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 16% | 0.161 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -63.4 | 170.2 | 177.2 | 33.5 | 0 | 0 | 0 | 0 | 115.4 | P64 F258 E2383 K2404 | P64-S260 CarbonylContact O-C 3.6Å; F258-S260 PolarHBondContact O-N 3.36Å; S260-E2383 WeakPolarHBondContact CB-OE1 3.11Å; S260-E2383 PolarHBondContact N-OE1 3.23Å; S260-E2383 PolarHBondContact OG-OE1 2.7Å; S260-K2404 CarbonylContact C-O 3.49Å; S260-K2404 WeakPolarHBondContact CA-O 3.41Å; S260-K2404 WeakPolarHBondContact CB-O 3.15Å; S260-K2404 CarbonylContact O-C 3.53Å; S260-K2404 WeakPolarHBondContact O-CA 3.44Å; S260-K2404 WeakPolarHBondContact O-CB 3.15Å; S260-K2404 VanDerWaalsContact O-CD 3.23Å; S260-K2404 WeakPolarHBondContact O-CD 3.4Å; S260-K2404 WeakPolarHBondContact O-CG 3.07Å; S260-K2404 PolarHBondContact OG-O 3.1Å |
| 261 | S | 80.9 | Confident | 76.9 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | trans | -102.2 | 156.8 | -167.6 | -159 | 0 | 0 | 0 | 0 | 116.8 | V63 P64 E312 K2404 | V63-S261 WeakPolarHBondContact CG1-O 3.46Å; P64-S261 WeakPolarHBondContact O-CB 3.26Å; P64-S261 PolarHBondContact O-N 3.21Å; S261-E312 WeakPolarHBondContact CB-OE1 3.18Å; S261-E312 PolarHBondContact OG-OE1 3.47Å; S261-K2404 PolarHBondContact N-O 3.44Å; S261-K2404 WeakPolarHBondContact OG-CE 3.44Å; S261-K2404 PolarHBondContact OG-NZ 2.91Å | ||
| 262 | N | 78.1 | Confident | 78 | Confident | 113 Ų | 113 | 57.3 Ų | 57.3 | 60% | 0.604 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -88.5 | -11.5 | -177.3 | -96 | -13.3 | 0 | 0 | 0 | 111.1 | K2404 | N262-K2404 HydrophobicContact CB-CG 3.71Å; N262-K2404 WeakPolarHBondContact OD1-CG 3.5Å; N262-K2404 PolarHBondContact OD1-N 2.95Å |
| 263 | V | 83.5 | Confident | 79.6 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -111.9 | 119.4 | -175.5 | -175.8 | 0 | 0 | 0 | 0 | 106.8 | Y265 | V263-Y265 HydrophobicContact CB-CD2 4.32Å; V263-Y265 HydrophobicContact CB-CE2 3.66Å; V263-Y265 HydrophobicContact CG1-CD2 4.04Å; V263-Y265 HydrophobicContact CG1-CE1 4.18Å; V263-Y265 HydrophobicContact CG1-CE2 3.51Å; V263-Y265 WeakPolarHBondContact O-CD2 3.43Å |
| 264 | K | 90.5 | Very high | 81.8 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | trans | -80.7 | 127.6 | 168.9 | -158.8 | -174.9 | -164.6 | -154.4 | 0 | 107.9 | T61 F62 V63 | T61-K264 VanDerWaalsContact C-CE 3.48Å; T61-K264 WeakPolarHBondContact O-CE 3Å; T61-K264 PolarHBondContact O-NZ 3.05Å; T61-K264 PolarHBondContact OG1-NZ 3.28Å; F62-K264 WeakPolarHBondContact O-CA 3.49Å; F62-K264 WeakPolarHBondContact O-CG 3.48Å; V63-K264 HydrophobicContact CG2-CB 4.36Å; V63-K264 HydrophobicContact CG2-CG 3.99Å | ||
| 265 | Y | 93 | Very high | 84.1 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 155.1 | 177.2 | -74.4 | -87.7 | 0 | 0 | 0 | 111 | T61 F62 P64 V263 F270 R273 | T61-Y265 CarbonylContact C-O 3.57Å; T61-Y265 WeakPolarHBondContact CA-O 3.05Å; F62-Y265 PolarHBondContact N-O 2.63Å; F62-Y265 PolarHBondContact O-N 3.46Å; P64-Y265 HydrophobicContact CG-CD2 3.8Å; P64-Y265 HydrophobicContact CG-CE2 4.17Å; V263-Y265 HydrophobicContact CB-CD2 4.32Å; V263-Y265 HydrophobicContact CB-CE2 3.66Å; V263-Y265 HydrophobicContact CG1-CD2 4.04Å; V263-Y265 HydrophobicContact CG1-CE1 4.18Å; V263-Y265 HydrophobicContact CG1-CE2 3.51Å; V263-Y265 WeakPolarHBondContact O-CD2 3.43Å; Y265-F270 HydrophobicContact CD1-CB 4.45Å; Y265-F270 HydrophobicContact CD2-CD2 4.46Å; Y265-F270 HydrophobicContact CG-CB 4.35Å; Y265-F270 HydrophobicContact CG-CD2 4.31Å; Y265-R273 VanDerWaalsContact CZ-CD 3.48Å; Y265-R273 WeakPolarHBondContact OH-CD 3.49Å; Y265-R273 PolarHBondContact OH-NE 3.01Å |
| 266 | T | 94.4 | Very high | 86.5 | Confident | 30 Ų | 30 | 49.7 Ų | 49.7 | 18% | 0.184 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 156.8 | 154.9 | 67.8 | 0 | 0 | 0 | 0 | 108.6 | Q58 F60 T61 H268 T269 F270 | Q58-T266 WeakPolarHBondContact O-CB 3.47Å; Q58-T266 WeakPolarHBondContact O-CG2 3.42Å; F60-T266 CarbonylContact O-C 3.42Å; F60-T266 VanDerWaalsContact O-CA 3.22Å; F60-T266 WeakPolarHBondContact O-CA 3.35Å; T61-T266 HydrophobicContact CG2-CG2 3.58Å; T266-H268 PolarHBondContact O-N 3.02Å; T266-T269 PolarHBondContact N-OG1 3.2Å; T266-T269 PolarHBondContact O-N 3.17Å; T266-T269 PolarHBondContact O-OG1 3.36Å; T266-T269 WeakPolarHBondContact OG1-CB 3.3Å; T266-T269 WeakPolarHBondContact OG1-CG2 3.32Å; T266-T269 PolarHBondContact OG1-N 3.47Å; T266-T269 PolarHBondContact OG1-OG1 3.39Å; T266-F270 WeakPolarHBondContact O-CB 3.41Å; T266-F270 PolarHBondContact O-N 2.93Å |
| 267 | L | 94.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.7 | -40.3 | 175.5 | -177.9 | 57.1 | 0 | 0 | 0 | 112 | F53 V55 Q57 F60 F270 G271 V376 F481 F483 | F53-L267 HydrophobicContact CE1-CD2 4.25Å; F53-L267 HydrophobicContact CZ-CD2 4.03Å; V55-L267 HydrophobicContact CG1-CD2 3.87Å; Q57-L267 HydrophobicContact CB-CB 4.38Å; Q57-L267 HydrophobicContact CB-CD2 4.47Å; Q57-L267 HydrophobicContact CB-CG 4.47Å; Q57-L267 HydrophobicContact CG-CD2 4.04Å; Q57-L267 HydrophobicContact CG-CG 4.4Å; Q57-L267 PolarHBondContact O-N 2.86Å; F60-L267 HydrophobicContact CB-CB 4.32Å; F60-L267 HydrophobicContact CD1-CB 3.96Å; F60-L267 HydrophobicContact CG-CB 4.47Å; F60-L267 PolarHBondContact O-N 3.31Å; L267-F270 PolarHBondContact O-N 2.92Å; L267-G271 PolarHBondContact O-N 3.04Å; L267-V376 HydrophobicContact CD1-CB 4.45Å; L267-V376 HydrophobicContact CD1-CG1 3.49Å; L267-V376 VanDerWaalsContact CD1-CG1 3.49Å; L267-V376 HydrophobicContact CD1-CG2 4.05Å; L267-F481 HydrophobicContact CD1-CE2 3.71Å; L267-F481 HydrophobicContact CD1-CZ 3.73Å; L267-F481 HydrophobicContact CG-CZ 4.15Å; L267-F483 HydrophobicContact CD1-CD2 4.09Å; L267-F483 HydrophobicContact CD2-CD2 3.72Å; L267-F483 HydrophobicContact CD2-CE2 4.11Å |
| 268 | H | 94.8 | Very high | 90.4 | Very high | 87 Ų | 87 | 48.4 Ų | 48.4 | 40% | 0.403 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 174.7 | 179.5 | 61.4 | 0 | 0 | 0 | 113.8 | Q57 T266 F270 G271 I272 | Q57-H268 HydrophobicContact CB-CB 4.24Å; Q57-H268 WeakPolarHBondContact O-CB 3.45Å; Q57-H268 PolarHBondContact O-N 3.15Å; T266-H268 PolarHBondContact O-N 3.02Å; H268-F270 VanDerWaalsContact C-N 3.31Å; H268-F270 PolarHBondContact O-N 2.65Å; H268-G271 PolarHBondContact O-N 3.18Å; H268-I272 PolarHBondContact O-N 3.44Å |
| 269 | T | 95.5 | Very high | 91.6 | Very high | 61 Ų | 61 | 48.9 Ų | 48.9 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -74.7 | -22.3 | 179.6 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | T266 | T266-T269 PolarHBondContact N-OG1 3.2Å; T266-T269 PolarHBondContact O-N 3.17Å; T266-T269 PolarHBondContact O-OG1 3.36Å; T266-T269 WeakPolarHBondContact OG1-CB 3.3Å; T266-T269 WeakPolarHBondContact OG1-CG2 3.32Å; T266-T269 PolarHBondContact OG1-N 3.47Å; T266-T269 PolarHBondContact OG1-OG1 3.39Å |
| 270 | F | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.5 | -44.2 | 168.4 | -174.6 | -92.9 | 0 | 0 | 0 | 111.5 | F62 P64 Y265 T266 L267 H268 I272 R273 A274 E312 V376 M378 F481 | F62-F270 HydrophobicContact CE1-CB 4.16Å; F62-F270 HydrophobicContact CE1-CG 4.4Å; F62-F270 HydrophobicContact CE2-CD2 4.3Å; F62-F270 HydrophobicContact CZ-CB 3.89Å; F62-F270 HydrophobicContact CZ-CD1 4.13Å; F62-F270 AromaticContact CZ-CD2 3.78Å; F62-F270 HydrophobicContact CZ-CD2 3.78Å; F62-F270 HydrophobicContact CZ-CE2 4.36Å; F62-F270 AromaticContact CZ-CG 3.65Å; F62-F270 HydrophobicContact CZ-CG 3.65Å; P64-F270 HydrophobicContact CB-CE2 4.27Å; Y265-F270 HydrophobicContact CD1-CB 4.45Å; Y265-F270 HydrophobicContact CD2-CD2 4.46Å; Y265-F270 HydrophobicContact CG-CB 4.35Å; Y265-F270 HydrophobicContact CG-CD2 4.31Å; T266-F270 WeakPolarHBondContact O-CB 3.41Å; T266-F270 PolarHBondContact O-N 2.93Å; L267-F270 PolarHBondContact O-N 2.92Å; H268-F270 VanDerWaalsContact C-N 3.31Å; H268-F270 PolarHBondContact O-N 2.65Å; F270-I272 PolarHBondContact O-N 2.95Å; F270-R273 WeakPolarHBondContact O-CA 3.48Å; F270-R273 WeakPolarHBondContact O-CB 3.38Å; F270-R273 PolarHBondContact O-N 2.82Å; F270-A274 HydrophobicContact CE1-CB 4.35Å; F270-A274 PolarHBondContact O-N 3.31Å; F270-E312 HydrophobicContact CE2-CB 4.15Å; F270-E312 VanDerWaalsContact CZ-O 3.32Å; F270-E312 WeakPolarHBondContact CZ-O 3.24Å; F270-V376 HydrophobicContact CD1-CG1 3.6Å; F270-V376 HydrophobicContact CE1-CG1 3.75Å; F270-V376 HydrophobicContact CG-CG1 4.43Å; F270-M378 HydrophobicContact CE1-CB 4.06Å; F270-M378 HydrophobicContact CZ-CB 3.98Å; F270-M378 HydrophobicContact CZ-CG 4.28Å; F270-M378 HydrophobicContact CZ-SD 4.32Å; F270-F481 HydrophobicContact CD1-CD2 4Å; F270-F481 AromaticContact CD1-CE2 3.96Å; F270-F481 HydrophobicContact CD1-CE2 3.96Å; F270-F481 HydrophobicContact CE1-CD2 4.32Å |
| 271 | G | 95.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.9 | -51.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L267 H268 R273 A274 D275 | L267-G271 PolarHBondContact O-N 3.04Å; H268-G271 PolarHBondContact O-N 3.18Å; G271-R273 PolarHBondContact O-N 2.82Å; G271-R273 VanDerWaalsContact O-N 3.12Å; G271-A274 WeakPolarHBondContact O-CB 3.44Å; G271-A274 PolarHBondContact O-N 2.97Å; G271-D275 PolarHBondContact O-N 2.89Å |
| 272 | I | 96 | Very high | 94 | Very high | 99 Ų | 99 | 54 Ų | 54 | 51% | 0.508 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -52.8 | -38.6 | 175.3 | -65.1 | 167.6 | 0 | 0 | 0 | 112 | H268 F270 D276 | H268-I272 PolarHBondContact O-N 3.44Å; F270-I272 PolarHBondContact O-N 2.95Å; I272-D276 WeakPolarHBondContact O-CB 3.45Å; I272-D276 PolarHBondContact O-N 2.71Å; I272-D276 VanDerWaalsContact O-N 3.09Å |
| 273 | R | 95.2 | Very high | 94.7 | Very high | 97 Ų | 97 | 52 Ų | 52 | 37% | 0.366 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75 | -36.7 | 179 | 170.9 | 169 | 174.7 | 59.6 | -1.5 | 113 | Y265 F270 G271 F277 E312 | Y265-R273 VanDerWaalsContact CZ-CD 3.48Å; Y265-R273 WeakPolarHBondContact OH-CD 3.49Å; Y265-R273 PolarHBondContact OH-NE 3.01Å; F270-R273 WeakPolarHBondContact O-CA 3.48Å; F270-R273 WeakPolarHBondContact O-CB 3.38Å; F270-R273 PolarHBondContact O-N 2.82Å; G271-R273 PolarHBondContact O-N 2.82Å; G271-R273 VanDerWaalsContact O-N 3.12Å; R273-F277 WeakPolarHBondContact O-CB 3.42Å; R273-F277 PolarHBondContact O-N 2.88Å; R273-E312 IonicContact CZ-OE2 3.41Å; R273-E312 VanDerWaalsContact CZ-OE2 3.23Å; R273-E312 IonicContact NE-OE2 2.7Å; R273-E312 PolarHBondContact NE-OE2 2.85Å; R273-E312 IonicContact NH2-OE2 2.68Å; R273-E312 PolarHBondContact NH2-OE2 3.16Å |
| 274 | A | 96.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F270 G271 F277 K278 M378 F481 | F270-A274 HydrophobicContact CE1-CB 4.35Å; F270-A274 PolarHBondContact O-N 3.31Å; G271-A274 WeakPolarHBondContact O-CB 3.44Å; G271-A274 PolarHBondContact O-N 2.97Å; A274-F277 PolarHBondContact O-N 3.08Å; A274-K278 PolarHBondContact O-N 3.41Å; A274-M378 HydrophobicContact CB-CB 3.46Å; A274-M378 VanDerWaalsContact CB-CB 3.46Å; A274-F481 HydrophobicContact CB-CB 3.82Å; A274-F481 HydrophobicContact CB-CD2 4.4Å; A274-F481 HydrophobicContact CB-CG 4.39Å |
| 275 | D | 97.2 | Very high | 95.2 | Very high | 60 Ų | 60 | 51.2 Ų | 51.2 | 32% | 0.321 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.8 | -45.3 | 178.4 | -62.5 | -27.4 | 0 | 0 | 0 | 111.5 | G271 F277 K278 A279 T286 | G271-D275 PolarHBondContact O-N 2.89Å; D275-F277 VanDerWaalsContact C-N 3.3Å; D275-F277 PolarHBondContact O-N 3.07Å; D275-K278 PolarHBondContact O-N 3.45Å; D275-A279 WeakPolarHBondContact O-CB 3.47Å; D275-A279 PolarHBondContact O-N 2.92Å; D275-T286 HydrophobicContact CB-CG2 4.02Å; D275-T286 WeakPolarHBondContact O-CG2 3.11Å |
| 276 | D | 96.6 | Very high | 95.1 | Very high | 76 Ų | 76 | 51.1 Ų | 51.1 | 41% | 0.406 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.1 | -38.9 | 174.5 | -179 | 76.2 | 0 | 0 | 0 | 112.3 | I272 K280 | I272-D276 WeakPolarHBondContact O-CB 3.45Å; I272-D276 PolarHBondContact O-N 2.71Å; I272-D276 VanDerWaalsContact O-N 3.09Å; D276-K280 WeakPolarHBondContact O-CB 3.19Å; D276-K280 WeakPolarHBondContact O-CD 3.27Å; D276-K280 VanDerWaalsContact O-CG 3.24Å; D276-K280 WeakPolarHBondContact O-CG 2.96Å; D276-K280 PolarHBondContact O-N 2.78Å; D276-K280 WeakPolarHBondContact OD1-CE 3.32Å; D276-K280 IonicContact OD1-NZ 3.37Å; D276-K280 PolarHBondContact OD1-NZ 3.49Å; D276-K280 IonicContact OD2-NZ 2.79Å; D276-K280 PolarHBondContact OD2-NZ 3.27Å |
| 277 | F | 96.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 56.4 Ų | 56.4 | 18% | 0.184 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -53.8 | 173.3 | 170.3 | -93.1 | 0 | 0 | 0 | 111.8 | R273 A274 D275 A279 K280 H281 V309 V311 M378 A379 F380 | R273-F277 WeakPolarHBondContact O-CB 3.42Å; R273-F277 PolarHBondContact O-N 2.88Å; A274-F277 PolarHBondContact O-N 3.08Å; D275-F277 VanDerWaalsContact C-N 3.3Å; D275-F277 PolarHBondContact O-N 3.07Å; F277-A279 VanDerWaalsContact C-N 3.34Å; F277-A279 PolarHBondContact O-N 3.25Å; F277-K280 PolarHBondContact O-N 2.96Å; F277-H281 WeakPolarHBondContact O-CB 3.18Å; F277-H281 PolarHBondContact O-N 3.43Å; F277-V309 HydrophobicContact CE2-CG1 4.38Å; F277-V309 HydrophobicContact CZ-CG1 4.04Å; F277-V311 HydrophobicContact CE1-CG1 4.07Å; F277-V311 HydrophobicContact CE2-CG1 4.39Å; F277-V311 HydrophobicContact CZ-CG1 3.77Å; F277-M378 HydrophobicContact CB-CE 3.66Å; F277-M378 HydrophobicContact CD1-CE 3.19Å; F277-M378 HydrophobicContact CD2-CE 3.97Å; F277-M378 HydrophobicContact CE1-CE 3.77Å; F277-M378 HydrophobicContact CE2-CE 4.45Å; F277-M378 HydrophobicContact CG-CE 3.31Å; F277-M378 HydrophobicContact CZ-CE 4.37Å; F277-A379 HydrophobicContact CD1-CB 4.22Å; F277-A379 HydrophobicContact CE1-CB 4.16Å; F277-F380 AromaticContact CE1-CD2 3.75Å; F277-F380 HydrophobicContact CE1-CD2 3.75Å; F277-F380 HydrophobicContact CE1-CE2 4.03Å; F277-F380 AromaticContact CZ-CD2 3.92Å; F277-F380 HydrophobicContact CZ-CD2 3.92Å; F277-F380 HydrophobicContact CZ-CE2 4.18Å |
| 278 | K | 97.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.009 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | -177 | -179.7 | 175.6 | 177.2 | 173.6 | 0 | 111 | A274 D275 K280 H281 F282 T286 A379 E402 Q479 | A274-K278 PolarHBondContact O-N 3.41Å; D275-K278 PolarHBondContact O-N 3.45Å; K278-K280 VanDerWaalsContact C-N 3.33Å; K278-K280 PolarHBondContact O-N 3.48Å; K278-H281 PolarHBondContact O-N 2.83Å; K278-F282 HydrophobicContact CG-CD2 4.02Å; K278-F282 HydrophobicContact CG-CE2 4.26Å; K278-F282 WeakPolarHBondContact O-CD2 3.27Å; K278-F282 PolarHBondContact O-N 3.44Å; K278-T286 HydrophobicContact CB-CG2 4.06Å; K278-T286 HydrophobicContact CD-CG2 4.21Å; K278-T286 WeakPolarHBondContact CE-O 3.26Å; K278-T286 HydrophobicContact CG-CG2 4.22Å; K278-T286 PolarHBondContact NZ-O 2.9Å; K278-A379 HydrophobicContact CB-CB 3.97Å; K278-A379 HydrophobicContact CD-CB 4.16Å; K278-A379 HydrophobicContact CG-CB 4.15Å; K278-E402 VanDerWaalsContact CD-OE1 3.3Å; K278-E402 WeakPolarHBondContact CD-OE1 3.12Å; K278-E402 IonicContact NZ-OE1 3.4Å; K278-E402 PolarHBondContact NZ-OE1 2.86Å; K278-E402 IonicContact NZ-OE2 2.73Å; K278-E402 PolarHBondContact NZ-OE2 2.94Å; K278-Q479 WeakPolarHBondContact CE-O 3.42Å; K278-Q479 PolarHBondContact NZ-O 3.18Å |
| 279 | A | 95.8 | Very high | 94.8 | Very high | 34 Ų | 34 | 58.5 Ų | 58.5 | 28% | 0.281 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D275 F277 G283 K284 T286 | D275-A279 WeakPolarHBondContact O-CB 3.47Å; D275-A279 PolarHBondContact O-N 2.92Å; F277-A279 VanDerWaalsContact C-N 3.34Å; F277-A279 PolarHBondContact O-N 3.25Å; A279-G283 WeakPolarHBondContact O-CA 3.24Å; A279-G283 PolarHBondContact O-N 3.11Å; A279-K284 VanDerWaalsContact CA-O 3.25Å; A279-K284 WeakPolarHBondContact CA-O 3.38Å; A279-K284 PolarHBondContact O-N 3.44Å; A279-T286 HydrophobicContact CB-CG2 4.28Å |
| 280 | K | 95 | Very high | 94.8 | Very high | 145 Ų | 145 | 58 Ų | 58 | 63% | 0.63 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -74.5 | -32.3 | 176.9 | -73.9 | 171.5 | -176.1 | 164 | 0 | 113.8 | D276 F277 K278 | D276-K280 WeakPolarHBondContact O-CB 3.19Å; D276-K280 WeakPolarHBondContact O-CD 3.27Å; D276-K280 VanDerWaalsContact O-CG 3.24Å; D276-K280 WeakPolarHBondContact O-CG 2.96Å; D276-K280 PolarHBondContact O-N 2.78Å; D276-K280 WeakPolarHBondContact OD1-CE 3.32Å; D276-K280 IonicContact OD1-NZ 3.37Å; D276-K280 PolarHBondContact OD1-NZ 3.49Å; D276-K280 IonicContact OD2-NZ 2.79Å; D276-K280 PolarHBondContact OD2-NZ 3.27Å; F277-K280 PolarHBondContact O-N 2.96Å; K278-K280 VanDerWaalsContact C-N 3.33Å; K278-K280 PolarHBondContact O-N 3.48Å |
| 281 | H | 94.8 | Very high | 94.8 | Very high | 63 Ų | 63 | 60.2 Ų | 60.2 | 29% | 0.292 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.9 | -44.7 | 179.9 | -168.2 | 94.3 | 0 | 0 | 0 | 111.8 | F277 K278 E297 L301 V309 F380 | F277-H281 WeakPolarHBondContact O-CB 3.18Å; F277-H281 PolarHBondContact O-N 3.43Å; K278-H281 PolarHBondContact O-N 2.83Å; H281-E297 IonicContact CD2-OE1 3.99Å; H281-E297 IonicContact CE1-OE1 3.23Å; H281-E297 WeakPolarHBondContact NE2-CG 3.23Å; H281-E297 IonicContact NE2-OE1 3.83Å; H281-E297 PolarHBondContact NE2-OE1 3.01Å; H281-E297 IonicContact NE2-OE2 3.16Å; H281-L301 VanDerWaalsContact CE1-CD2 3.46Å; H281-L301 WeakPolarHBondContact CE1-CD2 3.48Å; H281-V309 WeakPolarHBondContact CE1-CG2 3.48Å; H281-F380 AromaticContact CD2-CE2 3.67Å; H281-F380 AromaticContact CD2-CZ 3.76Å; H281-F380 AromaticContact CG-CE2 3.86Å; H281-F380 AromaticContact ND1-CE2 3.98Å; H281-F380 AromaticContact NE2-CZ 3.92Å |
| 282 | F | 96.2 | Very high | 94.7 | Very high | 29 Ų | 29 | 64.2 Ų | 64.2 | 13% | 0.127 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -93.4 | -10.5 | -177.8 | -68.5 | -83.9 | 0 | 0 | 0 | 114.5 | K278 K284 V289 E293 A294 E297 F380 | K278-F282 HydrophobicContact CG-CD2 4.02Å; K278-F282 HydrophobicContact CG-CE2 4.26Å; K278-F282 WeakPolarHBondContact O-CD2 3.27Å; K278-F282 PolarHBondContact O-N 3.44Å; F282-K284 HydrophobicContact CB-CB 4.37Å; F282-K284 HydrophobicContact CB-CD 4.5Å; F282-K284 PolarHBondContact O-N 3.46Å; F282-V289 HydrophobicContact CB-CG2 3.61Å; F282-V289 HydrophobicContact CD1-CG1 3.7Å; F282-V289 HydrophobicContact CD1-CG2 4.28Å; F282-V289 HydrophobicContact CD2-CB 4.48Å; F282-V289 HydrophobicContact CD2-CG1 3.91Å; F282-V289 HydrophobicContact CD2-CG2 3.81Å; F282-V289 HydrophobicContact CE1-CG1 3.69Å; F282-V289 HydrophobicContact CE2-CG1 3.9Å; F282-V289 HydrophobicContact CG-CB 4.41Å; F282-V289 HydrophobicContact CG-CG1 3.8Å; F282-V289 HydrophobicContact CG-CG2 3.64Å; F282-V289 HydrophobicContact CZ-CG1 3.78Å; F282-E293 HydrophobicContact CD1-CG 4.19Å; F282-E293 HydrophobicContact CE1-CG 4.01Å; F282-A294 HydrophobicContact CE1-CB 4.49Å; F282-A294 HydrophobicContact CZ-CB 3.82Å; F282-E297 HydrophobicContact CE1-CB 4.12Å; F282-E297 HydrophobicContact CE1-CG 4.11Å; F282-E297 HydrophobicContact CZ-CB 4.33Å; F282-E297 HydrophobicContact CZ-CG 4.2Å; F282-F380 HydrophobicContact CE1-CZ 4.43Å; F282-F380 HydrophobicContact CE2-CE1 4.2Å; F282-F380 HydrophobicContact CE2-CE2 4.28Å; F282-F380 AromaticContact CE2-CZ 3.58Å; F282-F380 HydrophobicContact CE2-CZ 3.58Å; F282-F380 AromaticContact CZ-CE1 3.78Å; F282-F380 HydrophobicContact CZ-CE1 3.78Å; F282-F380 HydrophobicContact CZ-CE2 4.45Å; F282-F380 AromaticContact CZ-CZ 3.38Å; F282-F380 HydrophobicContact CZ-CZ 3.38Å |
| 283 | G | 93.2 | Very high | 94.6 | Very high | 72 Ų | 72 | 62.6 Ų | 62.6 | 74% | 0.742 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 19.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | A279 | A279-G283 WeakPolarHBondContact O-CA 3.24Å; A279-G283 PolarHBondContact O-N 3.11Å |
| 284 | K | 93.2 | Very high | 94.7 | Very high | 76 Ų | 76 | 58.1 Ų | 58.1 | 33% | 0.33 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -131 | 153.5 | -172.7 | -71.7 | 168.6 | 173.1 | 172.1 | 0 | 110 | A279 F282 M288 V289 E293 | A279-K284 VanDerWaalsContact CA-O 3.25Å; A279-K284 WeakPolarHBondContact CA-O 3.38Å; A279-K284 PolarHBondContact O-N 3.44Å; F282-K284 HydrophobicContact CB-CB 4.37Å; F282-K284 HydrophobicContact CB-CD 4.5Å; F282-K284 PolarHBondContact O-N 3.46Å; K284-M288 HydrophobicContact CB-CB 4.44Å; K284-V289 HydrophobicContact CB-CG2 4.11Å; K284-V289 HydrophobicContact CD-CG2 4.34Å; K284-E293 IonicContact NZ-OE1 3.09Å; K284-E293 PolarHBondContact NZ-OE1 2.79Å; K284-E293 IonicContact NZ-OE2 3.28Å; K284-E293 PolarHBondContact NZ-OE2 3.35Å |
| 285 | P | 90.2 | Very high | 94.6 | Very high | 63 Ų | 63 | 58.1 Ų | 58.1 | 41% | 0.409 | 31% | 0.313 | S | S | . | . | trans | -53.2 | 144 | 162.8 | -23.8 | 34.7 | 0 | 0 | 0 | 111 | H287 M288 | P285-H287 VanDerWaalsContact C-N 3.27Å; P285-H287 PolarHBondContact O-N 2.88Å; P285-H287 VanDerWaalsContact O-N 3.16Å; P285-M288 HydrophobicContact CB-CB 4.49Å; P285-M288 HydrophobicContact CB-CG 4.2Å; P285-M288 HydrophobicContact CB-SD 4.34Å; P285-M288 HydrophobicContact CG-CG 4.34Å; P285-M288 HydrophobicContact CG-SD 3.83Å; P285-M288 WeakPolarHBondContact O-CB 3.34Å; P285-M288 PolarHBondContact O-N 3.49Å | ||
| 286 | T | 91.4 | Very high | 94.5 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 20% | 0.202 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -54.5 | -41.1 | -171.6 | 52 | 0 | 0 | 0 | 0 | 113.5 | D275 K278 A279 M288 V289 | D275-T286 HydrophobicContact CB-CG2 4.02Å; D275-T286 WeakPolarHBondContact O-CG2 3.11Å; K278-T286 HydrophobicContact CB-CG2 4.06Å; K278-T286 HydrophobicContact CD-CG2 4.21Å; K278-T286 WeakPolarHBondContact CE-O 3.26Å; K278-T286 HydrophobicContact CG-CG2 4.22Å; K278-T286 PolarHBondContact NZ-O 2.9Å; A279-T286 HydrophobicContact CB-CG2 4.28Å; T286-M288 VanDerWaalsContact C-N 3.27Å; T286-M288 PolarHBondContact O-N 2.88Å; T286-V289 PolarHBondContact O-N 3.2Å |
| 287 | H | 89.7 | Confident | 94.4 | Very high | 141 Ų | 141 | 55.5 Ų | 55.5 | 65% | 0.653 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -74.7 | -7.4 | 179.1 | 66.6 | -96.2 | 0 | 0 | 0 | 114.8 | P285 | P285-H287 VanDerWaalsContact C-N 3.27Å; P285-H287 PolarHBondContact O-N 2.88Å; P285-H287 VanDerWaalsContact O-N 3.16Å |
| 288 | M | 92.7 | Very high | 94.3 | Very high | 120 Ų | 120 | 53.5 Ų | 53.5 | 59% | 0.591 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -97.8 | -0.8 | 177.4 | -68.7 | -171.3 | 168.3 | 0 | 0 | 113.5 | K284 P285 T286 | K284-M288 HydrophobicContact CB-CB 4.44Å; P285-M288 HydrophobicContact CB-CB 4.49Å; P285-M288 HydrophobicContact CB-CG 4.2Å; P285-M288 HydrophobicContact CB-SD 4.34Å; P285-M288 HydrophobicContact CG-CG 4.34Å; P285-M288 HydrophobicContact CG-SD 3.83Å; P285-M288 WeakPolarHBondContact O-CB 3.34Å; P285-M288 PolarHBondContact O-N 3.49Å; T286-M288 VanDerWaalsContact C-N 3.27Å; T286-M288 PolarHBondContact O-N 2.88Å |
| 289 | V | 95 | Very high | 94.2 | Very high | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -87 | 122.5 | 172.8 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | F282 K284 T286 E293 A294 | F282-V289 HydrophobicContact CB-CG2 3.61Å; F282-V289 HydrophobicContact CD1-CG1 3.7Å; F282-V289 HydrophobicContact CD1-CG2 4.28Å; F282-V289 HydrophobicContact CD2-CB 4.48Å; F282-V289 HydrophobicContact CD2-CG1 3.91Å; F282-V289 HydrophobicContact CD2-CG2 3.81Å; F282-V289 HydrophobicContact CE1-CG1 3.69Å; F282-V289 HydrophobicContact CE2-CG1 3.9Å; F282-V289 HydrophobicContact CG-CB 4.41Å; F282-V289 HydrophobicContact CG-CG1 3.8Å; F282-V289 HydrophobicContact CG-CG2 3.64Å; F282-V289 HydrophobicContact CZ-CG1 3.78Å; K284-V289 HydrophobicContact CB-CG2 4.11Å; K284-V289 HydrophobicContact CD-CG2 4.34Å; T286-V289 PolarHBondContact O-N 3.2Å; V289-E293 HydrophobicContact CG1-CB 4.43Å; V289-E293 HydrophobicContact CG1-CG 4.37Å; V289-A294 HydrophobicContact CG1-CB 4.09Å |
| 290 | S | 95.5 | Very high | 94 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | trans | -76 | 158.8 | 179.8 | 77.4 | 0 | 0 | 0 | 0 | 112.4 | E292 E293 A294 | S290-E292 VanDerWaalsContact C-N 3.28Å; S290-E292 PolarHBondContact O-N 3.12Å; S290-E293 PolarHBondContact O-N 3.35Å; S290-E293 VanDerWaalsContact OG-CB 3.31Å; S290-E293 WeakPolarHBondContact OG-CB 3.42Å; S290-E293 PolarHBondContact OG-N 3.47Å; S290-E293 VanDerWaalsContact OG-N 3.1Å; S290-A294 PolarHBondContact O-N 3.48Å; S290-A294 VanDerWaalsContact O-N 3.12Å | ||
| 291 | L | 95.8 | Very high | 93.9 | Very high | 45 Ų | 45 | 52.1 Ų | 52.1 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 178.8 | -55.9 | 179.2 | 0 | 0 | 0 | 111 | E295 P403 D459 Q479 | L291-E295 WeakPolarHBondContact O-CB 3.38Å; L291-E295 PolarHBondContact O-N 3.31Å; L291-P403 HydrophobicContact CD2-CB 4.36Å; L291-P403 HydrophobicContact CD2-CG 4.03Å; L291-D459 HydrophobicContact CD1-CB 4.41Å; L291-Q479 HydrophobicContact CD2-CB 4.22Å; L291-Q479 HydrophobicContact CD2-CG 3.8Å; L291-Q479 PolarHBondContact O-NE2 3.47Å |
| 292 | E | 94.4 | Very high | 93.7 | Very high | 88 Ų | 88 | 49.3 Ų | 49.3 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 173.1 | -69.7 | 67.1 | -149.5 | 0 | 0 | 112.8 | R7 S290 E295 A296 | R7-E292 IonicContact CZ-OE1 2.7Å; R7-E292 IonicContact NH1-OE1 3.87Å; R7-E292 PolarHBondContact NH1-OE1 2.63Å; R7-E292 IonicContact NH2-OE1 2.7Å; R7-E292 PolarHBondContact NH2-OE1 3.23Å; S290-E292 VanDerWaalsContact C-N 3.28Å; S290-E292 PolarHBondContact O-N 3.12Å; E292-E295 PolarHBondContact O-N 2.97Å; E292-A296 WeakPolarHBondContact O-CB 3.36Å; E292-A296 PolarHBondContact O-N 3.03Å |
| 293 | E | 94.5 | Very high | 93.2 | Very high | 65 Ų | 65 | 50.7 Ų | 50.7 | 30% | 0.304 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | -177.9 | -179.7 | 175.7 | -162.1 | 0 | 0 | 110.8 | F282 K284 V289 S290 E297 | F282-E293 HydrophobicContact CD1-CG 4.19Å; F282-E293 HydrophobicContact CE1-CG 4.01Å; K284-E293 IonicContact NZ-OE1 3.09Å; K284-E293 PolarHBondContact NZ-OE1 2.79Å; K284-E293 IonicContact NZ-OE2 3.28Å; K284-E293 PolarHBondContact NZ-OE2 3.35Å; V289-E293 HydrophobicContact CG1-CB 4.43Å; V289-E293 HydrophobicContact CG1-CG 4.37Å; S290-E293 PolarHBondContact O-N 3.35Å; S290-E293 VanDerWaalsContact OG-CB 3.31Å; S290-E293 WeakPolarHBondContact OG-CB 3.42Å; S290-E293 PolarHBondContact OG-N 3.47Å; S290-E293 VanDerWaalsContact OG-N 3.1Å; E293-E297 VanDerWaalsContact O-CB 3.29Å; E293-E297 WeakPolarHBondContact O-CB 3.47Å; E293-E297 PolarHBondContact O-N 3.36Å |
| 294 | A | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.4 | -32.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F282 V289 S290 F298 | F282-A294 HydrophobicContact CE1-CB 4.49Å; F282-A294 HydrophobicContact CZ-CB 3.82Å; V289-A294 HydrophobicContact CG1-CB 4.09Å; S290-A294 PolarHBondContact O-N 3.48Å; S290-A294 VanDerWaalsContact O-N 3.12Å; A294-F298 VanDerWaalsContact O-CB 3.25Å; A294-F298 WeakPolarHBondContact O-CB 3.03Å; A294-F298 PolarHBondContact O-N 3.33Å |
| 295 | E | 96.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 174.1 | -170.5 | 173.4 | -157.9 | 0 | 0 | 111.9 | F5 R7 L291 E292 W299 Y407 R457 F477 | F5-E295 HydrophobicContact CE1-CG 3.76Å; F5-E295 HydrophobicContact CZ-CG 3.95Å; R7-E295 IonicContact CZ-OE2 3.7Å; R7-E295 IonicContact NE-OE2 3.09Å; R7-E295 PolarHBondContact NE-OE2 3.14Å; R7-E295 IonicContact NH2-OE2 3.86Å; R7-E295 PolarHBondContact NH2-OE2 2.83Å; L291-E295 WeakPolarHBondContact O-CB 3.38Å; L291-E295 PolarHBondContact O-N 3.31Å; E292-E295 PolarHBondContact O-N 2.97Å; E295-W299 VanDerWaalsContact O-CD1 3.23Å; E295-W299 PolarHBondContact O-N 3.47Å; E295-Y407 VanDerWaalsContact CG-OH 3.3Å; E295-Y407 WeakPolarHBondContact CG-OH 3.47Å; E295-Y407 WeakPolarHBondContact OE1-CE1 3.32Å; E295-Y407 PolarHBondContact OE1-OH 2.91Å; E295-R457 IonicContact OE1-CZ 2.69Å; E295-R457 IonicContact OE1-NH1 3.99Å; E295-R457 PolarHBondContact OE1-NH1 2.66Å; E295-R457 VanDerWaalsContact OE1-NH1 3.08Å; E295-R457 IonicContact OE2-CZ 3.95Å; E295-R457 IonicContact OE2-NH1 3.86Å; E295-R457 PolarHBondContact OE2-NH1 3.42Å; E295-R457 VanDerWaalsContact OE2-NH1 3.1Å; E295-F477 HydrophobicContact CB-CE1 4.4Å; E295-F477 HydrophobicContact CB-CZ 3.89Å; E295-F477 HydrophobicContact CG-CE1 4.07Å; E295-F477 HydrophobicContact CG-CZ 4.07Å |
| 296 | A | 94.3 | Very high | 91.1 | Very high | 50 Ų | 50 | 53.8 Ų | 53.8 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E292 F298 W299 R300 | E292-A296 WeakPolarHBondContact O-CB 3.36Å; E292-A296 PolarHBondContact O-N 3.03Å; A296-F298 PolarHBondContact O-N 2.79Å; A296-W299 PolarHBondContact O-N 2.95Å; A296-R300 WeakPolarHBondContact O-CB 3Å; A296-R300 PolarHBondContact O-N 2.87Å |
| 297 | E | 94.5 | Very high | 90.5 | Very high | 31 Ų | 31 | 53.8 Ų | 53.8 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64 | -39.1 | 178.7 | 175.7 | 60.8 | -176.1 | 0 | 0 | 112.1 | H281 F282 E293 W299 R300 L301 F380 | H281-E297 IonicContact CD2-OE1 3.99Å; H281-E297 IonicContact CE1-OE1 3.23Å; H281-E297 WeakPolarHBondContact NE2-CG 3.23Å; H281-E297 IonicContact NE2-OE1 3.83Å; H281-E297 PolarHBondContact NE2-OE1 3.01Å; H281-E297 IonicContact NE2-OE2 3.16Å; F282-E297 HydrophobicContact CE1-CB 4.12Å; F282-E297 HydrophobicContact CE1-CG 4.11Å; F282-E297 HydrophobicContact CZ-CB 4.33Å; F282-E297 HydrophobicContact CZ-CG 4.2Å; E293-E297 VanDerWaalsContact O-CB 3.29Å; E293-E297 WeakPolarHBondContact O-CB 3.47Å; E293-E297 PolarHBondContact O-N 3.36Å; E297-W299 PolarHBondContact O-N 2.81Å; E297-R300 VanDerWaalsContact CD-NH2 3.28Å; E297-R300 PolarHBondContact O-N 3.2Å; E297-R300 IonicContact OE1-CZ 2.71Å; E297-R300 IonicContact OE1-NE 2.82Å; E297-R300 IonicContact OE1-NH2 3.53Å; E297-R300 PolarHBondContact OE1-NH2 2.75Å; E297-R300 IonicContact OE2-CZ 2.95Å; E297-R300 VanDerWaalsContact OE2-CZ 3.31Å; E297-R300 IonicContact OE2-NE 3.65Å; E297-R300 PolarHBondContact OE2-NE 3.44Å; E297-R300 IonicContact OE2-NH2 3.91Å; E297-R300 PolarHBondContact OE2-NH2 3.19Å; E297-R300 VanDerWaalsContact OE2-NH2 3.09Å; E297-L301 HydrophobicContact CG-CD1 3.97Å; E297-L301 HydrophobicContact CG-CG 4.39Å; E297-L301 WeakPolarHBondContact O-CB 3.48Å; E297-L301 VanDerWaalsContact O-CG 3.27Å; E297-L301 WeakPolarHBondContact O-CG 3.37Å; E297-L301 PolarHBondContact O-N 3.05Å; E297-F380 HydrophobicContact CB-CE1 4.32Å; E297-F380 HydrophobicContact CB-CZ 4.37Å; E297-F380 HydrophobicContact CG-CE1 4.03Å; E297-F380 HydrophobicContact CG-CZ 3.63Å |
| 298 | F | 95.7 | Very high | 90 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.5 | -52 | 174.7 | 175.3 | -108.5 | 0 | 0 | 0 | 112.1 | L69 A294 A296 R300 L301 V302 F380 C382 M442 F477 | L69-F298 HydrophobicContact CD2-CE2 4.28Å; A294-F298 VanDerWaalsContact O-CB 3.25Å; A294-F298 WeakPolarHBondContact O-CB 3.03Å; A294-F298 PolarHBondContact O-N 3.33Å; A296-F298 PolarHBondContact O-N 2.79Å; F298-R300 VanDerWaalsContact C-N 3.35Å; F298-R300 PolarHBondContact O-N 2.9Å; F298-L301 PolarHBondContact O-N 3.05Å; F298-V302 HydrophobicContact CD2-CG2 4.36Å; F298-V302 HydrophobicContact CE1-CG2 4.46Å; F298-V302 HydrophobicContact CE2-CG2 4.05Å; F298-V302 HydrophobicContact CZ-CG2 4.12Å; F298-V302 WeakPolarHBondContact O-CG2 3.16Å; F298-V302 PolarHBondContact O-N 3.5Å; F298-F380 HydrophobicContact CB-CD1 3.94Å; F298-F380 HydrophobicContact CB-CE1 4.33Å; F298-F380 HydrophobicContact CD2-CB 3.96Å; F298-F380 HydrophobicContact CD2-CD1 4.11Å; F298-F380 HydrophobicContact CD2-CG 4.43Å; F298-F380 HydrophobicContact CE2-CB 4.47Å; F298-F380 WeakPolarHBondContact CE2-O 3.46Å; F298-C382 HydrophobicContact CE2-CB 3.83Å; F298-C382 HydrophobicContact CZ-CB 3.65Å; F298-M442 HydrophobicContact CE1-CE 3.82Å; F298-M442 HydrophobicContact CE1-SD 4.34Å; F298-M442 HydrophobicContact CE2-CE 4.39Å; F298-M442 HydrophobicContact CZ-CE 3.44Å; F298-M442 VanDerWaalsContact CZ-CE 3.44Å; F298-M442 HydrophobicContact CZ-SD 4.14Å; F298-F477 HydrophobicContact CB-CD2 4.42Å; F298-F477 HydrophobicContact CB-CE2 4.32Å; F298-F477 HydrophobicContact CB-CZ 4.41Å; F298-F477 HydrophobicContact CD1-CB 4.46Å; F298-F477 AromaticContact CD1-CD1 3.58Å; F298-F477 HydrophobicContact CD1-CD1 3.58Å; F298-F477 AromaticContact CD1-CE1 3.97Å; F298-F477 HydrophobicContact CD1-CE1 3.97Å; F298-F477 AromaticContact CD1-CG 3.94Å; F298-F477 HydrophobicContact CD1-CG 3.94Å; F298-F477 HydrophobicContact CD2-CB 4.17Å; F298-F477 HydrophobicContact CD2-CD2 4.25Å; F298-F477 HydrophobicContact CD2-CG 4.04Å; F298-F477 HydrophobicContact CE1-CB 4.09Å; F298-F477 AromaticContact CE1-CD1 3.7Å; F298-F477 HydrophobicContact CE1-CD1 3.7Å; F298-F477 HydrophobicContact CE1-CE1 4.47Å; F298-F477 HydrophobicContact CE1-CG 4.01Å; F298-F477 HydrophobicContact CE2-CB 3.77Å; F298-F477 HydrophobicContact CE2-CG 4.12Å; F298-F477 HydrophobicContact CG-CB 4.48Å; F298-F477 HydrophobicContact CG-CD1 4.01Å; F298-F477 HydrophobicContact CG-CD2 4.16Å; F298-F477 HydrophobicContact CG-CE1 4.35Å; F298-F477 HydrophobicContact CG-CE2 4.49Å; F298-F477 AromaticContact CG-CG 3.94Å; F298-F477 HydrophobicContact CG-CG 3.94Å; F298-F477 HydrophobicContact CZ-CB 3.7Å; F298-F477 HydrophobicContact CZ-CD1 4.21Å; F298-F477 HydrophobicContact CZ-CG 4.08Å |
| 299 | W | 94.5 | Very high | 89.9 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.7 | -31.3 | -180 | -72.2 | 114 | 0 | 0 | 0 | 112.9 | F5 E295 A296 E297 V302 G303 Y407 M442 P445 | F5-W299 HydrophobicContact CB-CB 4.17Å; F5-W299 AromaticContact CD1-CD1 3.96Å; F5-W299 HydrophobicContact CD2-CB 4.12Å; F5-W299 AromaticContact CD2-CD1 3.49Å; F5-W299 VanDerWaalsContact CD2-CD1 3.49Å; F5-W299 HydrophobicContact CD2-CD2 4.46Å; F5-W299 AromaticContact CD2-CG 3.76Å; F5-W299 HydrophobicContact CD2-CG 3.76Å; F5-W299 AromaticContact CE1-CD1 3.78Å; F5-W299 AromaticContact CE2-CD1 3.29Å; F5-W299 HydrophobicContact CE2-CD2 4.49Å; F5-W299 AromaticContact CE2-CG 3.97Å; F5-W299 HydrophobicContact CE2-CG 3.97Å; F5-W299 AromaticContact CE2-NE1 3.45Å; F5-W299 HydrophobicContact CG-CB 4.02Å; F5-W299 AromaticContact CG-CD1 3.82Å; F5-W299 HydrophobicContact CG-CG 4.08Å; F5-W299 AromaticContact CZ-CD1 3.44Å; F5-W299 VanDerWaalsContact CZ-CD1 3.44Å; F5-W299 HydrophobicContact CZ-CG 4.46Å; F5-W299 AromaticContact CZ-NE1 3.65Å; E295-W299 VanDerWaalsContact O-CD1 3.23Å; E295-W299 PolarHBondContact O-N 3.47Å; A296-W299 PolarHBondContact O-N 2.95Å; E297-W299 PolarHBondContact O-N 2.81Å; W299-V302 HydrophobicContact CE3-CB 4.47Å; W299-V302 HydrophobicContact CE3-CG1 4.4Å; W299-V302 HydrophobicContact CZ3-CG1 4.34Å; W299-G303 PolarHBondContact O-N 3.16Å; W299-Y407 HydrophobicContact CZ2-CD2 4.11Å; W299-Y407 AromaticContact CZ2-CE2 3.58Å; W299-Y407 HydrophobicContact CZ2-CE2 3.58Å; W299-Y407 AromaticContact NE1-CE2 3.86Å; W299-Y407 AromaticContact NE1-CZ 3.57Å; W299-Y407 PolarHBondContact NE1-OH 3.32Å; W299-M442 HydrophobicContact CH2-CE 4.07Å; W299-M442 HydrophobicContact CH2-CG 3.68Å; W299-M442 HydrophobicContact CH2-SD 3.72Å; W299-M442 HydrophobicContact CZ3-CE 3.89Å; W299-M442 HydrophobicContact CZ3-CG 3.88Å; W299-M442 HydrophobicContact CZ3-SD 4.11Å; W299-P445 HydrophobicContact CZ2-CG 4.07Å |
| 300 | R | 92.5 | Very high | 89.8 | Confident | 136 Ų | 136 | 47.2 Ų | 47.2 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 171.7 | -167 | -160.6 | 63.8 | 70.1 | 0.1 | 112 | A296 E297 F298 | A296-R300 WeakPolarHBondContact O-CB 3Å; A296-R300 PolarHBondContact O-N 2.87Å; E297-R300 VanDerWaalsContact CD-NH2 3.28Å; E297-R300 PolarHBondContact O-N 3.2Å; E297-R300 IonicContact OE1-CZ 2.71Å; E297-R300 IonicContact OE1-NE 2.82Å; E297-R300 IonicContact OE1-NH2 3.53Å; E297-R300 PolarHBondContact OE1-NH2 2.75Å; E297-R300 IonicContact OE2-CZ 2.95Å; E297-R300 VanDerWaalsContact OE2-CZ 3.31Å; E297-R300 IonicContact OE2-NE 3.65Å; E297-R300 PolarHBondContact OE2-NE 3.44Å; E297-R300 IonicContact OE2-NH2 3.91Å; E297-R300 PolarHBondContact OE2-NH2 3.19Å; E297-R300 VanDerWaalsContact OE2-NH2 3.09Å; F298-R300 VanDerWaalsContact C-N 3.35Å; F298-R300 PolarHBondContact O-N 2.9Å |
| 301 | L | 93 | Very high | 89.7 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -54.8 | 177 | -72.7 | 167.6 | 0 | 0 | 0 | 110.7 | L69 H281 E297 F298 G303 S304 T307 V309 F380 | L69-L301 HydrophobicContact CD1-CB 4.01Å; L69-L301 HydrophobicContact CD1-CD1 3.86Å; H281-L301 VanDerWaalsContact CE1-CD2 3.46Å; H281-L301 WeakPolarHBondContact CE1-CD2 3.48Å; E297-L301 HydrophobicContact CG-CD1 3.97Å; E297-L301 HydrophobicContact CG-CG 4.39Å; E297-L301 WeakPolarHBondContact O-CB 3.48Å; E297-L301 VanDerWaalsContact O-CG 3.27Å; E297-L301 WeakPolarHBondContact O-CG 3.37Å; E297-L301 PolarHBondContact O-N 3.05Å; F298-L301 PolarHBondContact O-N 3.05Å; L301-G303 VanDerWaalsContact C-N 3.29Å; L301-G303 PolarHBondContact O-N 2.94Å; L301-S304 PolarHBondContact O-N 3.33Å; L301-S304 VanDerWaalsContact O-N 3.14Å; L301-S304 PolarHBondContact O-OG 2.87Å; L301-T307 HydrophobicContact CB-CG2 4.08Å; L301-T307 HydrophobicContact CD2-CG2 3.67Å; L301-T307 WeakPolarHBondContact O-CG2 3.27Å; L301-V309 HydrophobicContact CD2-CB 4.44Å; L301-V309 HydrophobicContact CD2-CG2 3.94Å; L301-F380 HydrophobicContact CD1-CD2 4.02Å; L301-F380 HydrophobicContact CD1-CE1 4.38Å; L301-F380 HydrophobicContact CD1-CE2 3.75Å; L301-F380 HydrophobicContact CD1-CG 4.45Å; L301-F380 HydrophobicContact CD1-CZ 3.93Å |
| 302 | V | 90.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58 | -40.5 | 179.6 | 172 | 0 | 0 | 0 | 0 | 111.8 | L69 C73 F298 W299 S304 M442 | L69-V302 HydrophobicContact CB-CG2 4.34Å; C73-V302 HydrophobicContact CB-CG1 3.89Å; C73-V302 WeakPolarHBondContact CB-O 3.49Å; F298-V302 HydrophobicContact CD2-CG2 4.36Å; F298-V302 HydrophobicContact CE1-CG2 4.46Å; F298-V302 HydrophobicContact CE2-CG2 4.05Å; F298-V302 HydrophobicContact CZ-CG2 4.12Å; F298-V302 WeakPolarHBondContact O-CG2 3.16Å; F298-V302 PolarHBondContact O-N 3.5Å; W299-V302 HydrophobicContact CE3-CB 4.47Å; W299-V302 HydrophobicContact CE3-CG1 4.4Å; W299-V302 HydrophobicContact CZ3-CG1 4.34Å; V302-S304 PolarHBondContact O-N 3.31Å; V302-M442 HydrophobicContact CB-CE 4.27Å; V302-M442 HydrophobicContact CG1-CE 3.71Å; V302-M442 HydrophobicContact CG2-CE 3.64Å |
| 303 | G | 85.7 | Confident | 89.7 | Confident | 57 Ų | 57 | 40 Ų | 40 | 59% | 0.588 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -5.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | W299 L301 | W299-G303 PolarHBondContact O-N 3.16Å; L301-G303 VanDerWaalsContact C-N 3.29Å; L301-G303 PolarHBondContact O-N 2.94Å |
| 304 | S | 84.7 | Confident | 89.6 | Confident | 32 Ų | 32 | 37 Ų | 37 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -104.4 | 153.8 | -174.7 | 70.5 | 0 | 0 | 0 | 0 | 113.1 | N76 L301 V302 T307 | N76-S304 PolarHBondContact ND2-O 2.76Å; L301-S304 PolarHBondContact O-N 3.33Å; L301-S304 VanDerWaalsContact O-N 3.14Å; L301-S304 PolarHBondContact O-OG 2.87Å; V302-S304 PolarHBondContact O-N 3.31Å; S304-T307 WeakPolarHBondContact OG-CG2 3.33Å |
| 305 | E | 72.6 | Confident | 89.2 | Confident | 106 Ų | 106 | 37.4 Ų | 37.4 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -76.2 | -34 | -166.3 | -60 | -171.9 | -165.4 | 0 | 0 | 114.7 | R79 | R79-E305 VanDerWaalsContact CZ-CD 3.47Å; R79-E305 IonicContact CZ-OE1 2.64Å; R79-E305 IonicContact CZ-OE2 3.64Å; R79-E305 IonicContact NE-OE1 2.67Å; R79-E305 IonicContact NE-OE2 3.67Å; R79-E305 PolarHBondContact NE-OE2 3.47Å; R79-E305 IonicContact NH2-OE1 2.7Å; R79-E305 PolarHBondContact NH2-OE1 2.8Å; R79-E305 IonicContact NH2-OE2 3.74Å; R79-E305 PolarHBondContact NH2-OE2 2.65Å |
| 306 | D | 73.6 | Confident | 88.7 | Confident | 138 Ų | 138 | 38.4 Ų | 38.4 | 74% | 0.738 | 23% | 0.233 | S | C | * | . | trans | -149.6 | 112 | 175.7 | -178.2 | 2.3 | 0 | 0 | 0 | 108.1 | G308 | D306-G308 PolarHBondContact OD1-N 2.97Å; D306-G308 VanDerWaalsContact OD1-N 3.13Å | ||
| 307 | T | 79.3 | Confident | 88.5 | Confident | 34 Ų | 34 | 36.6 Ų | 36.6 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | trans | -96.7 | -25.3 | 177.4 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | L301 S304 V309 | L301-T307 HydrophobicContact CB-CG2 4.08Å; L301-T307 HydrophobicContact CD2-CG2 3.67Å; L301-T307 WeakPolarHBondContact O-CG2 3.27Å; S304-T307 WeakPolarHBondContact OG-CG2 3.33Å; T307-V309 PolarHBondContact O-N 2.92Å; T307-V309 PolarHBondContact OG1-N 3.18Å | ||
| 308 | G | 79.4 | Confident | 88.2 | Confident | 62 Ų | 62 | 36.4 Ų | 36.4 | 64% | 0.639 | 22% | 0.217 | S | C | * | . | trans | 59 | 12 | -158.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D306 | D306-G308 PolarHBondContact OD1-N 2.97Å; D306-G308 VanDerWaalsContact OD1-N 3.13Å | ||
| 309 | V | 91.6 | Very high | 87.8 | Confident | 18 Ų | 18 | 36.6 Ų | 36.6 | 11% | 0.109 | 22% | 0.218 | C | C | . | . | trans | -98.1 | 99.9 | -175.6 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | L69 F277 H281 L301 T307 V311 | L69-V309 HydrophobicContact CD1-CB 4.34Å; L69-V309 HydrophobicContact CD1-CG1 3.72Å; L69-V309 HydrophobicContact CG-CG1 4.43Å; L69-V309 PolarHBondContact N-O 3.12Å; F277-V309 HydrophobicContact CE2-CG1 4.38Å; F277-V309 HydrophobicContact CZ-CG1 4.04Å; H281-V309 WeakPolarHBondContact CE1-CG2 3.48Å; L301-V309 HydrophobicContact CD2-CB 4.44Å; L301-V309 HydrophobicContact CD2-CG2 3.94Å; T307-V309 PolarHBondContact O-N 2.92Å; T307-V309 PolarHBondContact OG1-N 3.18Å; V309-V311 HydrophobicContact CG1-CG1 4.36Å | ||
| 310 | S | 91.3 | Very high | 87.2 | Confident | 53 Ų | 53 | 41 Ų | 41 | 37% | 0.371 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 134.3 | 167.9 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | Q67 E68 | Q67-S310 CarbonylContact O-C 3.51Å; Q67-S310 WeakPolarHBondContact O-CA 3.04Å; E68-S310 VanDerWaalsContact OE2-CB 3.24Å; E68-S310 WeakPolarHBondContact OE2-CB 3.42Å |
| 311 | V | 94.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 159 | 172.1 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | V66 Q67 L69 F277 V309 M378 F380 | V66-V311 CarbonylContact C-O 3.56Å; V66-V311 WeakPolarHBondContact CA-O 3.45Å; Q67-V311 HydrophobicContact CB-CG2 3.97Å; Q67-V311 PolarHBondContact N-O 2.66Å; Q67-V311 PolarHBondContact O-N 3.11Å; L69-V311 HydrophobicContact CD2-CG2 4.08Å; F277-V311 HydrophobicContact CE1-CG1 4.07Å; F277-V311 HydrophobicContact CE2-CG1 4.39Å; F277-V311 HydrophobicContact CZ-CG1 3.77Å; V309-V311 HydrophobicContact CG1-CG1 4.36Å; V311-M378 HydrophobicContact CB-CE 4.32Å; V311-M378 HydrophobicContact CB-CG 4.36Å; V311-M378 HydrophobicContact CB-SD 4.1Å; V311-M378 HydrophobicContact CG1-CE 4.2Å; V311-F380 HydrophobicContact CG1-CB 4.27Å |
| 312 | E | 94.5 | Very high | 86.2 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 147.3 | -178.9 | -77.2 | -178.1 | 129.6 | 0 | 0 | 110.6 | P64 R65 V66 S261 F270 R273 M378 K2404 | P64-E312 HydrophobicContact CB-CB 4.04Å; P64-E312 HydrophobicContact CG-CB 4.24Å; R65-E312 CarbonylContact O-C 3.1Å; R65-E312 WeakPolarHBondContact O-CA 3.41Å; V66-E312 HydrophobicContact CG2-CG 4.07Å; S261-E312 WeakPolarHBondContact CB-OE1 3.18Å; S261-E312 PolarHBondContact OG-OE1 3.47Å; F270-E312 HydrophobicContact CE2-CB 4.15Å; F270-E312 VanDerWaalsContact CZ-O 3.32Å; F270-E312 WeakPolarHBondContact CZ-O 3.24Å; R273-E312 IonicContact CZ-OE2 3.41Å; R273-E312 VanDerWaalsContact CZ-OE2 3.23Å; R273-E312 IonicContact NE-OE2 2.7Å; R273-E312 PolarHBondContact NE-OE2 2.85Å; R273-E312 IonicContact NH2-OE2 2.68Å; R273-E312 PolarHBondContact NH2-OE2 3.16Å; E312-M378 HydrophobicContact CB-SD 4.31Å; E312-M378 PolarHBondContact N-SD 2.98Å; E312-M378 WeakPolarHBondContact O-CG 3.35Å; E312-K2404 IonicContact OE1-NZ 3.1Å; E312-K2404 PolarHBondContact OE1-NZ 3.04Å |
| 313 | Y | 94.5 | Very high | 86 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 10% | 0.098 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 147.3 | -179.3 | 76 | -64.7 | 0 | 0 | 0 | 113.6 | P64 R65 Q67 F258 A315 | P64-Y313 CarbonylContact C-O 3.54Å; P64-Y313 WeakPolarHBondContact CA-O 3.26Å; P64-Y313 VanDerWaalsContact CB-O 3.31Å; P64-Y313 WeakPolarHBondContact CB-O 3.2Å; R65-Y313 HydrophobicContact CB-CD1 3.73Å; R65-Y313 HydrophobicContact CB-CE1 3.26Å; R65-Y313 HydrophobicContact CG-CE1 4.41Å; R65-Y313 PolarHBondContact N-O 2.87Å; R65-Y313 WeakPolarHBondContact O-CD1 3.42Å; R65-Y313 PolarHBondContact O-N 2.91Å; Q67-Y313 VanDerWaalsContact CD-CE1 3.4Å; Q67-Y313 HydrophobicContact CG-CD1 3.78Å; Q67-Y313 HydrophobicContact CG-CE1 3.42Å; Q67-Y313 VanDerWaalsContact CG-CE1 3.42Å; F258-Y313 HydrophobicContact CB-CE1 4.45Å; F258-Y313 VanDerWaalsContact CD2-OH 3.31Å; F258-Y313 WeakPolarHBondContact CD2-OH 3.39Å; Y313-A315 HydrophobicContact CD2-CB 3.75Å; Y313-A315 HydrophobicContact CE2-CB 3.39Å |
| 314 | G | 92.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 130.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y375 V376 | G314-Y375 CarbonylContact O-C 3.4Å; G314-Y375 WeakPolarHBondContact O-CA 3.39Å; G314-V376 PolarHBondContact N-O 3.46Å; G314-V376 PolarHBondContact O-N 3.37Å |
| 315 | A | 87.8 | Confident | 86.7 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 160.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y313 L317 Y375 | Y313-A315 HydrophobicContact CD2-CB 3.75Å; Y313-A315 HydrophobicContact CE2-CB 3.39Å; A315-L317 PolarHBondContact O-N 2.72Å; A315-L317 VanDerWaalsContact O-N 3.13Å; A315-Y375 HydrophobicContact CB-CD1 3.77Å; A315-Y375 HydrophobicContact CB-CE1 4.09Å |
| 316 | D | 85.5 | Confident | 87.7 | Confident | 22 Ų | 22 | 34.3 Ų | 34.3 | 12% | 0.118 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.8 | 27 | 178.9 | -42 | 7.2 | 0 | 0 | 0 | 112.4 | R65 N318 W373 | R65-D316 IonicContact CZ-OD2 2.6Å; R65-D316 IonicContact NH1-OD1 3.98Å; R65-D316 PolarHBondContact NH1-OD1 2.98Å; R65-D316 VanDerWaalsContact NH1-OD1 3.14Å; R65-D316 IonicContact NH1-OD2 3.79Å; R65-D316 PolarHBondContact NH1-OD2 2.86Å; R65-D316 IonicContact NH2-OD2 3.81Å; R65-D316 PolarHBondContact NH2-OD2 3.18Å; D316-N318 PolarHBondContact O-N 3.23Å; D316-N318 VanDerWaalsContact O-N 3.07Å; D316-W373 HydrophobicContact CB-CD2 3.96Å; D316-W373 HydrophobicContact CB-CE3 3.61Å; D316-W373 HydrophobicContact CB-CH2 3.97Å; D316-W373 HydrophobicContact CB-CZ2 4.28Å; D316-W373 HydrophobicContact CB-CZ3 3.62Å |
| 317 | L | 90.4 | Very high | 88.6 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 7% | 0.068 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 95.7 | -177.7 | -54.4 | -179.7 | 0 | 0 | 0 | 108.3 | F60 F62 A315 A319 C374 V376 | F60-L317 HydrophobicContact CE1-CD1 4.01Å; F60-L317 HydrophobicContact CZ-CD1 3.93Å; F62-L317 HydrophobicContact CB-CD1 3.87Å; F62-L317 HydrophobicContact CB-CD2 3.97Å; F62-L317 HydrophobicContact CD2-CD1 4.09Å; F62-L317 HydrophobicContact CG-CD1 3.97Å; A315-L317 PolarHBondContact O-N 2.72Å; A315-L317 VanDerWaalsContact O-N 3.13Å; L317-A319 PolarHBondContact O-N 3.47Å; L317-C374 HydrophobicContact CB-CB 4.2Å; L317-C374 WeakPolarHBondContact CB-O 3.45Å; L317-C374 PolarHBondContact N-O 2.96Å; L317-C374 PolarHBondContact O-N 2.91Å; L317-V376 HydrophobicContact CD1-CG2 4.01Å |
| 318 | N | 87 | Confident | 88.9 | Confident | 27 Ų | 27 | 27.7 Ų | 27.7 | 14% | 0.144 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.2 | 112.8 | 177.9 | -179.3 | -25.1 | 0 | 0 | 0 | 111 | D316 R320 E321 H322 S367 I371 | D316-N318 PolarHBondContact O-N 3.23Å; D316-N318 VanDerWaalsContact O-N 3.07Å; N318-R320 PolarHBondContact O-N 2.99Å; N318-R320 VanDerWaalsContact O-N 3.09Å; N318-R320 WeakPolarHBondContact OD1-CB 3.39Å; N318-R320 PolarHBondContact OD1-N 3.31Å; N318-E321 HydrophobicContact CB-CB 4.39Å; N318-E321 HydrophobicContact CB-CG 4.34Å; N318-E321 PolarHBondContact O-N 3.39Å; N318-H322 PolarHBondContact O-N 2.88Å; N318-S367 PolarHBondContact ND2-OG 3.23Å; N318-I371 VanDerWaalsContact OD1-CG2 3.32Å; N318-I371 WeakPolarHBondContact OD1-CG2 3.35Å |
| 319 | A | 87.5 | Confident | 88.7 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.8 | -23.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L317 G323 S324 P372 | L317-A319 PolarHBondContact O-N 3.47Å; A319-G323 CarbonylContact O-C 3.57Å; A319-G323 WeakPolarHBondContact O-CA 3.34Å; A319-G323 PolarHBondContact O-N 3.42Å; A319-S324 PolarHBondContact O-N 3.31Å; A319-P372 HydrophobicContact CB-CB 4.03Å; A319-P372 WeakPolarHBondContact CB-O 3.31Å; A319-P372 PolarHBondContact N-O 2.79Å |
| 320 | R | 83.4 | Confident | 87.4 | Confident | 107 Ų | 107 | 37 Ų | 37 | 40% | 0.404 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -81.6 | -25.7 | 176.8 | 178.7 | 176.8 | 153.9 | 166.4 | -4.1 | 113.6 | N318 I371 Y2359 | N318-R320 PolarHBondContact O-N 2.99Å; N318-R320 VanDerWaalsContact O-N 3.09Å; N318-R320 WeakPolarHBondContact OD1-CB 3.39Å; N318-R320 PolarHBondContact OD1-N 3.31Å; R320-I371 HydrophobicContact CB-CG2 3.69Å; R320-Y2359 VanDerWaalsContact NH1-CZ 3.25Å |
| 321 | E | 81.9 | Confident | 85.9 | Confident | 107 Ų | 107 | 37.7 Ų | 37.7 | 50% | 0.5 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -86.4 | -41.9 | 171.8 | -68.2 | -161.9 | 173.7 | 0 | 0 | 112.2 | N318 | N318-E321 HydrophobicContact CB-CB 4.39Å; N318-E321 HydrophobicContact CB-CG 4.34Å; N318-E321 PolarHBondContact O-N 3.39Å |
| 322 | H | 82.6 | Confident | 83.7 | Confident | 59 Ų | 59 | 41.6 Ų | 41.6 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -93.3 | -23.6 | -172.1 | -81.8 | -87.8 | 0 | 0 | 0 | 114.1 | F60 T61 N318 | F60-H322 HydrophobicContact CD2-CB 4.39Å; F60-H322 VanDerWaalsContact CD2-O 3.22Å; F60-H322 WeakPolarHBondContact CD2-O 3.44Å; F60-H322 HydrophobicContact CE2-CB 3.65Å; F60-H322 WeakPolarHBondContact CE2-O 3.43Å; F60-H322 HydrophobicContact CZ-CB 3.99Å; T61-H322 PolarHBondContact O-CE1 3.44Å; N318-H322 PolarHBondContact O-N 2.88Å |
| 323 | G | 85.5 | Confident | 81.5 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 27% | 0.268 | 27% | 0.273 | S | S | . | . | trans | 102 | 121.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V55 A319 | V55-G323 WeakPolarHBondContact CG2-O 3.2Å; A319-G323 CarbonylContact O-C 3.57Å; A319-G323 WeakPolarHBondContact O-CA 3.34Å; A319-G323 PolarHBondContact O-N 3.42Å | ||
| 324 | S | 92.2 | Very high | 79.7 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.028 | 28% | 0.279 | C | S | . | . | trans | -63.6 | 147.6 | 170.1 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | V55 A319 F326 N349 E485 | V55-S324 WeakPolarHBondContact CG2-O 3.43Å; A319-S324 PolarHBondContact O-N 3.31Å; S324-F326 PolarHBondContact O-N 3.41Å; S324-F326 PolarHBondContact OG-N 2.88Å; S324-F326 VanDerWaalsContact OG-N 3.11Å; S324-N349 PolarHBondContact OG-ND2 2.73Å; S324-E485 VanDerWaalsContact CB-OE1 3.27Å; S324-E485 WeakPolarHBondContact CB-OE1 3.35Å; S324-E485 PolarHBondContact OG-OE1 3.46Å; S324-E485 PolarHBondContact OG-OE2 3.45Å; S324-E485 VanDerWaalsContact OG-OE2 3.1Å | ||
| 325 | G | 92.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -67.6 | -24.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F53 C54 E485 | F53-G325 WeakPolarHBondContact CA-O 3.43Å; C54-G325 PolarHBondContact N-O 2.82Å; G325-E485 WeakPolarHBondContact CA-OE2 3.19Å; G325-E485 PolarHBondContact N-OE2 3.33Å |
| 326 | F | 94.7 | Very high | 77.2 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -81.2 | 153 | 174.5 | -69.2 | -83.8 | 0 | 0 | 0 | 112.9 | W49 P51 S324 N347 L348 Y397 H399 E485 | W49-F326 AromaticContact CH2-CE1 3.79Å; W49-F326 HydrophobicContact CH2-CE1 3.79Å; W49-F326 HydrophobicContact CH2-CZ 4.29Å; W49-F326 HydrophobicContact CZ2-CE1 4.13Å; P51-F326 HydrophobicContact CB-CD1 4.13Å; P51-F326 HydrophobicContact CB-CE1 4.24Å; P51-F326 HydrophobicContact CG-CD1 4.34Å; P51-F326 HydrophobicContact CG-CE1 3.97Å; S324-F326 PolarHBondContact O-N 3.41Å; S324-F326 PolarHBondContact OG-N 2.88Å; S324-F326 VanDerWaalsContact OG-N 3.11Å; F326-N347 VanDerWaalsContact CB-OD1 3.31Å; F326-N347 WeakPolarHBondContact CB-OD1 3.42Å; F326-N347 HydrophobicContact CD1-CB 4.23Å; F326-N347 HydrophobicContact CG-CB 4.44Å; F326-N347 WeakPolarHBondContact CG-OD1 3.3Å; F326-L348 HydrophobicContact CE2-CB 4.17Å; F326-L348 HydrophobicContact CE2-CD1 4.25Å; F326-L348 HydrophobicContact CE2-CG 3.79Å; F326-L348 HydrophobicContact CZ-CG 4.29Å; F326-Y397 HydrophobicContact CE1-CD1 4.25Å; F326-Y397 HydrophobicContact CE1-CE1 4.28Å; F326-Y397 AromaticContact CE2-CD1 3.95Å; F326-Y397 HydrophobicContact CE2-CD1 3.95Å; F326-Y397 HydrophobicContact CE2-CG 4.42Å; F326-Y397 AromaticContact CZ-CD1 3.48Å; F326-Y397 HydrophobicContact CZ-CD1 3.48Å; F326-Y397 VanDerWaalsContact CZ-CD1 3.48Å; F326-Y397 AromaticContact CZ-CE1 3.95Å; F326-Y397 HydrophobicContact CZ-CE1 3.95Å; F326-Y397 AromaticContact CZ-CG 3.86Å; F326-Y397 HydrophobicContact CZ-CG 3.86Å; F326-H399 AromaticContact CD2-CE1 3.44Å; F326-H399 VanDerWaalsContact CD2-CE1 3.44Å; F326-H399 WeakPolarHBondContact CD2-CE1 3.37Å; F326-H399 AromaticContact CD2-NE2 3.59Å; F326-H399 AromaticContact CE2-CE1 3.49Å; F326-H399 VanDerWaalsContact CE2-CE1 3.49Å; F326-H399 WeakPolarHBondContact CE2-CE1 3.35Å; F326-H399 AromaticContact CE2-NE2 3.52Å; F326-H399 AromaticContact CG-CE1 3.75Å; F326-H399 AromaticContact CZ-CE1 3.86Å; F326-H399 PolarHBondContact N-CE1 3.44Å; F326-E485 WeakPolarHBondContact CD2-OE2 3.2Å |
| 327 | P | 90.8 | Very high | 76.4 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -63.1 | 142.4 | 165.6 | 26.3 | -32.6 | 0 | 0 | 0 | 110.7 | P52 C54 T334 A342 N347 | P52-P327 HydrophobicContact CG-CG 4.27Å; C54-P327 VanDerWaalsContact SG-CA 3.54Å; P327-T334 HydrophobicContact CB-CG2 4.42Å; P327-A342 HydrophobicContact CB-CB 4.3Å; P327-A342 WeakPolarHBondContact O-CA 3.36Å; P327-N347 PolarHBondContact O-ND2 3.37Å | ||
| 328 | T | 86.4 | Confident | 75.7 | Confident | 34 Ų | 34 | 69 Ų | 69 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | trans | -133.5 | 149.5 | 178.5 | 55 | 0 | 0 | 0 | 0 | 110.8 | R330 Q331 N349 | T328-R330 PolarHBondContact O-N 3.36Å; T328-Q331 WeakPolarHBondContact O-CB 3.42Å; T328-Q331 PolarHBondContact O-N 2.79Å; T328-N349 HydrophobicContact CG2-CB 4.47Å | ||
| 329 | S | 74.6 | Confident | 75.3 | Confident | 103 Ų | 103 | 72.6 Ų | 72.6 | 72% | 0.72 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.8 | -171.8 | -43.4 | 0 | 0 | 0 | 0 | 115.1 | Q331 | S329-Q331 VanDerWaalsContact C-N 3.34Š|
| 330 | R | 65.3 | Low | 75.1 | Confident | 171 Ų | 171 | 77.3 Ų | 77.3 | 65% | 0.645 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -14.8 | 175.6 | -75.1 | -178.2 | 161.7 | -157 | -10.6 | 113.9 | T328 G332 | T328-R330 PolarHBondContact O-N 3.36Å; R330-G332 PolarHBondContact O-N 3.02Å; R330-G332 VanDerWaalsContact O-N 3.11Å |
| 331 | Q | 60.1 | Low | 75.5 | Confident | 68 Ų | 68 | 73.3 Ų | 73.3 | 32% | 0.318 | 38% | 0.378 | S | S | . | . | trans | -82 | 87.4 | 178.3 | -65.7 | -177 | -10.2 | 0 | 0 | 110.3 | T328 S329 R333 T334 | T328-Q331 WeakPolarHBondContact O-CB 3.42Å; T328-Q331 PolarHBondContact O-N 2.79Å; S329-Q331 VanDerWaalsContact C-N 3.34Å; Q331-R333 PolarHBondContact O-N 3.44Å; Q331-T334 HydrophobicContact CB-CG2 4.3Å; Q331-T334 PolarHBondContact O-N 3.42Å | ||
| 332 | G | 48.6 | Very low | 75.9 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 86% | 0.856 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 27.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | R330 | R330-G332 PolarHBondContact O-N 3.02Å; R330-G332 VanDerWaalsContact O-N 3.11Å |
| 333 | R | 48.5 | Very low | 76.3 | Confident | 253 Ų | 253 | 70.6 Ų | 70.6 | 96% | 0.955 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143 | 28.4 | 174.6 | -105.9 | -177.1 | 166.4 | 142.8 | -2.5 | 113 | Q331 | Q331-R333 PolarHBondContact O-N 3.44Š|
| 334 | T | 55.5 | Low | 76.7 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 22% | 0.221 | 37% | 0.367 | C | S | . | . | trans | -70.2 | 129.4 | 173.8 | 42.1 | 0 | 0 | 0 | 0 | 112.7 | P327 Q331 | P327-T334 HydrophobicContact CB-CG2 4.42Å; Q331-T334 HydrophobicContact CB-CG2 4.3Å; Q331-T334 PolarHBondContact O-N 3.42Å | ||
| 335 | S | 63.7 | Low | 76.9 | Confident | 64 Ų | 64 | 72 Ų | 72 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | trans | -62.2 | 161.6 | 167.3 | 79.4 | 0 | 0 | 0 | 0 | 111.2 | K337 S338 K339 | S335-K337 VanDerWaalsContact C-N 3.26Å; S335-K337 PolarHBondContact O-N 3.34Å; S335-S338 WeakPolarHBondContact O-CA 3.21Å; S335-S338 VanDerWaalsContact O-CB 3.3Å; S335-S338 WeakPolarHBondContact O-CB 3.45Å; S335-S338 PolarHBondContact O-N 3.31Å; S335-S338 PolarHBondContact OG-N 3.23Å; S335-S338 VanDerWaalsContact OG-N 3.13Å; S335-S338 PolarHBondContact OG-OG 3.28Å; S335-K339 PolarHBondContact O-N 3.16Å | ||
| 336 | Q | 63.7 | Low | 77 | Confident | 131 Ų | 131 | 72 Ų | 72 | 61% | 0.612 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.7 | -39 | 178.4 | -168.2 | 64.8 | 14.8 | 0 | 0 | 112 | S338 K339 N340 | Q336-S338 VanDerWaalsContact C-N 3.3Å; Q336-S338 PolarHBondContact O-N 3.43Å; Q336-K339 PolarHBondContact O-N 3.13Å; Q336-N340 PolarHBondContact O-N 3.33Å; Q336-N340 PolarHBondContact O-OD1 2.86Å |
| 337 | K | 68.5 | Low | 77.1 | Confident | 152 Ų | 152 | 72 Ų | 72 | 66% | 0.661 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64 | -33.9 | 173.9 | -164.9 | 169.1 | -174.7 | 172.5 | 0 | 112.2 | S335 Y341 | S335-K337 VanDerWaalsContact C-N 3.26Å; S335-K337 PolarHBondContact O-N 3.34Å; K337-Y341 HydrophobicContact CG-CE2 4.31Å; K337-Y341 WeakPolarHBondContact O-CD2 3.36Å |
| 338 | S | 76.4 | Confident | 77.4 | Confident | 19 Ų | 19 | 72 Ų | 72 | 13% | 0.133 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.9 | -33.2 | 174.3 | -49.6 | 0 | 0 | 0 | 0 | 112.9 | S335 Q336 Y341 A342 | S335-S338 WeakPolarHBondContact O-CA 3.21Å; S335-S338 VanDerWaalsContact O-CB 3.3Å; S335-S338 WeakPolarHBondContact O-CB 3.45Å; S335-S338 PolarHBondContact O-N 3.31Å; S335-S338 PolarHBondContact OG-N 3.23Å; S335-S338 VanDerWaalsContact OG-N 3.13Å; S335-S338 PolarHBondContact OG-OG 3.28Å; Q336-S338 VanDerWaalsContact C-N 3.3Å; Q336-S338 PolarHBondContact O-N 3.43Å; S338-Y341 PolarHBondContact O-N 3.34Å; S338-A342 PolarHBondContact O-N 2.97Å |
| 339 | K | 78.3 | Confident | 77.7 | Confident | 103 Ų | 103 | 72.1 Ų | 72.1 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 177.1 | -69.7 | -173.8 | -177.2 | 175.6 | 0 | 111.9 | S335 Q336 Y341 A342 T343 | S335-K339 PolarHBondContact O-N 3.16Å; Q336-K339 PolarHBondContact O-N 3.13Å; K339-Y341 PolarHBondContact O-N 3.48Å; K339-A342 WeakPolarHBondContact O-CA 3.34Å; K339-A342 WeakPolarHBondContact O-CB 3.46Å; K339-A342 PolarHBondContact O-N 3.42Å; K339-T343 PolarHBondContact O-N 3.27Å; K339-T343 VanDerWaalsContact O-N 3.09Å; K339-T343 PolarHBondContact O-OG1 2.84Å |
| 340 | N | 84.1 | Confident | 78.7 | Confident | 103 Ų | 103 | 69.3 Ų | 69.3 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.3 | -35.2 | 177.9 | -64.4 | 21.7 | 0 | 0 | 0 | 112.4 | Q336 S344 | Q336-N340 PolarHBondContact O-N 3.33Å; Q336-N340 PolarHBondContact O-OD1 2.86Å; N340-S344 PolarHBondContact O-N 2.98Å |
| 341 | Y | 91.5 | Very high | 80.1 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -76.9 | -31.2 | 173.1 | -69.6 | -68.1 | 0 | 0 | 0 | 113 | G48 W49 K50 P51 K337 S338 K339 T343 S344 N347 | G48-Y341 PolarHBondContact O-OH 3.33Å; W49-Y341 AromaticContact CD1-CE1 3.63Å; W49-Y341 HydrophobicContact CD2-CE1 4.16Å; W49-Y341 AromaticContact CG-CE1 3.95Å; W49-Y341 HydrophobicContact CG-CE1 3.95Å; W49-Y341 AromaticContact NE1-CD1 3.8Å; W49-Y341 AromaticContact NE1-CE1 3.66Å; K50-Y341 PolarHBondContact N-OH 3.37Å; K50-Y341 PolarHBondContact O-OH 3.39Å; P51-Y341 HydrophobicContact CB-CD1 3.78Å; P51-Y341 HydrophobicContact CB-CE1 4.16Å; P51-Y341 HydrophobicContact CB-CG 4Å; K337-Y341 HydrophobicContact CG-CE2 4.31Å; K337-Y341 WeakPolarHBondContact O-CD2 3.36Å; S338-Y341 PolarHBondContact O-N 3.34Å; K339-Y341 PolarHBondContact O-N 3.48Å; Y341-T343 VanDerWaalsContact C-N 3.29Å; Y341-T343 PolarHBondContact O-N 3.06Å; Y341-S344 WeakPolarHBondContact O-CB 3.41Å; Y341-S344 PolarHBondContact O-N 2.9Å; Y341-N347 WeakPolarHBondContact O-CB 3.26Å; Y341-N347 PolarHBondContact O-ND2 2.68Å |
| 342 | A | 90.4 | Very high | 81.8 | Confident | 5 Ų | 5 | 58 Ų | 58 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.3 | -34.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P327 S338 K339 N350 | P327-A342 HydrophobicContact CB-CB 4.3Å; P327-A342 WeakPolarHBondContact O-CA 3.36Å; S338-A342 PolarHBondContact O-N 2.97Å; K339-A342 WeakPolarHBondContact O-CA 3.34Å; K339-A342 WeakPolarHBondContact O-CB 3.46Å; K339-A342 PolarHBondContact O-N 3.42Å; A342-N350 PolarHBondContact O-ND2 2.63Å |
| 343 | T | 91 | Very high | 83.9 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 64% | 0.644 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 8.7 | 176.8 | 60.3 | 0 | 0 | 0 | 0 | 114 | K339 Y341 | K339-T343 PolarHBondContact O-N 3.27Å; K339-T343 VanDerWaalsContact O-N 3.09Å; K339-T343 PolarHBondContact O-OG1 2.84Å; Y341-T343 VanDerWaalsContact C-N 3.29Å; Y341-T343 PolarHBondContact O-N 3.06Å |
| 344 | S | 94.1 | Very high | 86 | Confident | 17 Ų | 17 | 48 Ų | 48 | 12% | 0.119 | 25% | 0.254 | C | S | . | . | trans | -73.7 | 137.2 | -179.1 | -174.3 | 0 | 0 | 0 | 0 | 111 | N340 Y341 W346 N347 N350 | N340-S344 PolarHBondContact O-N 2.98Å; Y341-S344 WeakPolarHBondContact O-CB 3.41Å; Y341-S344 PolarHBondContact O-N 2.9Å; S344-W346 PolarHBondContact O-N 3.34Å; S344-N347 WeakPolarHBondContact O-CB 3.14Å; S344-N347 PolarHBondContact O-N 3.47Å; S344-N350 PolarHBondContact O-ND2 2.93Å | ||
| 345 | P | 95 | Very high | 87.6 | Confident | 41 Ų | 41 | 50.7 Ų | 50.7 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28.8 | 174.2 | -30.5 | 39.7 | 0 | 0 | 0 | 114.4 | P24 N347 T351 L354 | P24-P345 VanDerWaalsContact CD-CB 3.47Å; P24-P345 HydrophobicContact CG-CB 4Å; P345-N347 VanDerWaalsContact C-N 3.29Å; P345-N347 PolarHBondContact O-N 3.16Å; P345-T351 PolarHBondContact O-OG1 2.81Å; P345-L354 HydrophobicContact CB-CD1 4Å; P345-L354 HydrophobicContact CB-CD2 4.02Å; P345-L354 HydrophobicContact CG-CD2 4.45Å |
| 346 | W | 96.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -0.5 | 176.1 | -66.3 | 86.5 | 0 | 0 | 0 | 114.2 | F21 P24 Y27 I43 W49 S344 L348 I395 F465 | F21-W346 AromaticContact CD1-CD1 3.76Å; F21-W346 HydrophobicContact CD1-CG 4.33Å; F21-W346 AromaticContact CD1-NE1 3.67Å; F21-W346 AromaticContact CD2-CD2 4Å; F21-W346 HydrophobicContact CD2-CD2 4Å; F21-W346 AromaticContact CD2-CE2 3.35Å; F21-W346 HydrophobicContact CD2-CH2 4.03Å; F21-W346 AromaticContact CD2-CZ2 3.37Å; F21-W346 HydrophobicContact CD2-CZ2 3.37Å; F21-W346 AromaticContact CD2-NE1 3.6Å; F21-W346 HydrophobicContact CE1-CB 4.2Å; F21-W346 AromaticContact CE1-CD1 3.51Å; F21-W346 HydrophobicContact CE1-CD2 4.03Å; F21-W346 AromaticContact CE1-CG 3.67Å; F21-W346 HydrophobicContact CE1-CG 3.67Å; F21-W346 AromaticContact CE1-NE1 3.78Å; F21-W346 AromaticContact CE2-CD2 3.38Å; F21-W346 HydrophobicContact CE2-CD2 3.38Å; F21-W346 AromaticContact CE2-CE2 3.25Å; F21-W346 AromaticContact CE2-CE3 3.68Å; F21-W346 HydrophobicContact CE2-CE3 3.68Å; F21-W346 AromaticContact CE2-CG 3.96Å; F21-W346 HydrophobicContact CE2-CG 3.96Å; F21-W346 AromaticContact CE2-CH2 3.8Å; F21-W346 HydrophobicContact CE2-CH2 3.8Å; F21-W346 AromaticContact CE2-CZ2 3.48Å; F21-W346 HydrophobicContact CE2-CZ2 3.48Å; F21-W346 VanDerWaalsContact CE2-CZ2 3.48Å; F21-W346 AromaticContact CE2-CZ3 3.88Å; F21-W346 HydrophobicContact CE2-CZ3 3.88Å; F21-W346 AromaticContact CE2-NE1 3.75Å; F21-W346 AromaticContact CG-CE2 3.86Å; F21-W346 HydrophobicContact CG-CZ2 4.18Å; F21-W346 AromaticContact CG-NE1 3.58Å; F21-W346 HydrophobicContact CZ-CB 4.04Å; F21-W346 AromaticContact CZ-CD1 3.72Å; F21-W346 AromaticContact CZ-CD2 3.39Å; F21-W346 HydrophobicContact CZ-CD2 3.39Å; F21-W346 AromaticContact CZ-CE2 3.65Å; F21-W346 AromaticContact CZ-CE3 3.88Å; F21-W346 HydrophobicContact CZ-CE3 3.88Å; F21-W346 AromaticContact CZ-CG 3.46Å; F21-W346 HydrophobicContact CZ-CG 3.46Å; F21-W346 VanDerWaalsContact CZ-CG 3.46Å; F21-W346 HydrophobicContact CZ-CZ2 4.33Å; F21-W346 AromaticContact CZ-NE1 3.83Å; F21-W346 VanDerWaalsContact O-CD1 3.32Å; F21-W346 PolarHBondContact O-NE1 3.28Å; P24-W346 HydrophobicContact CB-CD2 3.73Å; P24-W346 HydrophobicContact CB-CE3 3.98Å; P24-W346 HydrophobicContact CB-CG 4.33Å; P24-W346 HydrophobicContact CB-CH2 3.98Å; P24-W346 HydrophobicContact CB-CZ2 3.74Å; P24-W346 HydrophobicContact CB-CZ3 4.1Å; P24-W346 HydrophobicContact CG-CD2 4.41Å; Y27-W346 HydrophobicContact CD1-CH2 4.29Å; I43-W346 HydrophobicContact CD1-CH2 4.17Å; I43-W346 HydrophobicContact CD1-CZ3 4.29Å; I43-W346 HydrophobicContact CG2-CH2 4.22Å; I43-W346 HydrophobicContact CG2-CZ3 4.38Å; W49-W346 HydrophobicContact CZ2-CB 3.84Å; S344-W346 PolarHBondContact O-N 3.34Å; W346-L348 PolarHBondContact O-N 3.47Å; W346-I395 HydrophobicContact CE3-CD1 4.21Å; W346-I395 HydrophobicContact CZ3-CD1 4.07Å; W346-F465 HydrophobicContact CB-CZ 4.09Å; W346-F465 HydrophobicContact CE3-CD2 4.1Å; W346-F465 HydrophobicContact CE3-CE1 4.3Å; W346-F465 AromaticContact CE3-CE2 3.78Å; W346-F465 HydrophobicContact CE3-CE2 3.78Å; W346-F465 HydrophobicContact CE3-CG 4.5Å; W346-F465 AromaticContact CE3-CZ 3.88Å; W346-F465 HydrophobicContact CE3-CZ 3.88Å; W346-F465 HydrophobicContact CZ3-CD2 4.32Å; W346-F465 HydrophobicContact CZ3-CE2 4.44Å |
| 347 | N | 96 | Very high | 90.4 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -76.2 | 119.5 | 165.3 | -178 | -25.8 | 0 | 0 | 0 | 107.7 | F326 P327 Y341 S344 P345 N349 N350 T351 | F326-N347 VanDerWaalsContact CB-OD1 3.31Å; F326-N347 WeakPolarHBondContact CB-OD1 3.42Å; F326-N347 HydrophobicContact CD1-CB 4.23Å; F326-N347 HydrophobicContact CG-CB 4.44Å; F326-N347 WeakPolarHBondContact CG-OD1 3.3Å; P327-N347 PolarHBondContact O-ND2 3.37Å; Y341-N347 WeakPolarHBondContact O-CB 3.26Å; Y341-N347 PolarHBondContact O-ND2 2.68Å; S344-N347 WeakPolarHBondContact O-CB 3.14Å; S344-N347 PolarHBondContact O-N 3.47Å; P345-N347 VanDerWaalsContact C-N 3.29Å; P345-N347 PolarHBondContact O-N 3.16Å; N347-N349 PolarHBondContact O-N 3.34Å; N347-N349 PolarHBondContact OD1-N 3.22Å; N347-N349 PolarHBondContact OD1-ND2 2.94Å; N347-N350 WeakPolarHBondContact O-CB 3.43Å; N347-N350 PolarHBondContact O-N 2.82Å; N347-T351 PolarHBondContact O-N 3.23Å; N347-T351 PolarHBondContact O-OG1 3.25Å |
| 348 | L | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.4 | -170.1 | -59.4 | -171.4 | 0 | 0 | 0 | 114.1 | F326 W346 N350 P352 P372 I395 F465 E485 V487 | F326-L348 HydrophobicContact CE2-CB 4.17Å; F326-L348 HydrophobicContact CE2-CD1 4.25Å; F326-L348 HydrophobicContact CE2-CG 3.79Å; F326-L348 HydrophobicContact CZ-CG 4.29Å; W346-L348 PolarHBondContact O-N 3.47Å; L348-N350 PolarHBondContact O-N 2.72Å; L348-P352 WeakPolarHBondContact O-CD 3.1Å; L348-P372 HydrophobicContact CB-CB 4.46Å; L348-P372 HydrophobicContact CB-CG 3.99Å; L348-P372 VanDerWaalsContact O-CG 3.31Å; L348-P372 WeakPolarHBondContact O-CG 3.25Å; L348-I395 HydrophobicContact CD2-CD1 4.38Å; L348-I395 HydrophobicContact CD2-CG1 4.23Å; L348-I395 HydrophobicContact CD2-CG2 3.66Å; L348-F465 HydrophobicContact CD2-CE1 4.03Å; L348-E485 HydrophobicContact CD1-CG 4.48Å; L348-E485 VanDerWaalsContact CD1-O 3.31Å; L348-E485 WeakPolarHBondContact CD1-O 3.42Å; L348-V487 HydrophobicContact CB-CB 4.4Å; L348-V487 HydrophobicContact CB-CG1 3.92Å; L348-V487 HydrophobicContact CD2-CG1 4.22Å; L348-V487 HydrophobicContact CG-CG1 4.47Å |
| 349 | N | 94 | Very high | 92.5 | Very high | 37 Ų | 37 | 35.3 Ų | 35.3 | 20% | 0.198 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.1 | 170.4 | -60.9 | -93.3 | 0 | 0 | 0 | 113.1 | S324 T328 N347 | S324-N349 PolarHBondContact OG-ND2 2.73Å; T328-N349 HydrophobicContact CG2-CB 4.47Å; N347-N349 PolarHBondContact O-N 3.34Å; N347-N349 PolarHBondContact OD1-N 3.22Å; N347-N349 PolarHBondContact OD1-ND2 2.94Å |
| 350 | N | 94.9 | Very high | 93.2 | Very high | 44 Ų | 44 | 32.6 Ų | 32.6 | 24% | 0.235 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -34.5 | -176 | -57.5 | -25.2 | 0 | 0 | 0 | 112.1 | A342 S344 N347 L348 P352 L353 L354 | A342-N350 PolarHBondContact O-ND2 2.63Å; S344-N350 PolarHBondContact O-ND2 2.93Å; N347-N350 WeakPolarHBondContact O-CB 3.43Å; N347-N350 PolarHBondContact O-N 2.82Å; L348-N350 PolarHBondContact O-N 2.72Å; N350-P352 VanDerWaalsContact C-CD 3.44Å; N350-L353 WeakPolarHBondContact O-CB 3.41Å; N350-L353 PolarHBondContact O-N 3.21Å; N350-L354 PolarHBondContact O-N 2.99Å |
| 351 | T | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -52.1 | -41.2 | -172.5 | -42.8 | 0 | 0 | 0 | 0 | 115 | P24 P345 N347 L353 L354 | P24-T351 HydrophobicContact CG-CG2 4.13Å; P345-T351 PolarHBondContact O-OG1 2.81Å; N347-T351 PolarHBondContact O-N 3.23Å; N347-T351 PolarHBondContact O-OG1 3.25Å; T351-L353 PolarHBondContact O-N 3.1Å; T351-L354 HydrophobicContact CG2-CD1 4.25Å |
| 352 | P | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -68.6 | -16.6 | 178.2 | -19.2 | 32.8 | 0 | 0 | 0 | 114.3 | L348 N350 S357 L359 V487 | L348-P352 WeakPolarHBondContact O-CD 3.1Å; N350-P352 VanDerWaalsContact C-CD 3.44Å; P352-S357 VanDerWaalsContact O-CB 3.23Å; P352-S357 WeakPolarHBondContact O-CB 3.48Å; P352-S357 PolarHBondContact O-OG 3.47Å; P352-L359 HydrophobicContact CB-CD1 4.33Å; P352-V487 HydrophobicContact CG-CB 4.31Å; P352-V487 HydrophobicContact CG-CG1 3.87Å; P352-V487 HydrophobicContact CG-CG2 3.46Å; P352-V487 VanDerWaalsContact CG-CG2 3.46Å |
| 353 | L | 93.4 | Very high | 92.8 | Very high | 88 Ų | 88 | 31.9 Ų | 31.9 | 46% | 0.461 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -104 | -2 | -173 | -55.8 | 177 | 0 | 0 | 0 | 113.4 | N350 T351 I370 | N350-L353 WeakPolarHBondContact O-CB 3.41Å; N350-L353 PolarHBondContact O-N 3.21Å; T351-L353 PolarHBondContact O-N 3.1Å; L353-I370 HydrophobicContact CD2-CG2 4.08Å |
| 354 | L | 93.7 | Very high | 92 | Very high | 37 Ų | 37 | 30.8 Ų | 30.8 | 19% | 0.194 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -64.1 | 154 | 175.8 | -63.2 | 172.7 | 0 | 0 | 0 | 111.3 | P24 I25 P345 N350 T351 N356 S357 | P24-L354 HydrophobicContact CG-CD1 3.59Å; I25-L354 HydrophobicContact CD1-CB 3.92Å; I25-L354 HydrophobicContact CD1-CD1 4.1Å; I25-L354 HydrophobicContact CG1-CD1 4.15Å; P345-L354 HydrophobicContact CB-CD1 4Å; P345-L354 HydrophobicContact CB-CD2 4.02Å; P345-L354 HydrophobicContact CG-CD2 4.45Å; N350-L354 PolarHBondContact O-N 2.99Å; T351-L354 HydrophobicContact CG2-CD1 4.25Å; L354-N356 PolarHBondContact O-N 3.38Å; L354-N356 VanDerWaalsContact O-N 3.1Å; L354-S357 WeakPolarHBondContact O-CB 3.37Å; L354-S357 PolarHBondContact O-N 3.4Å |
| 355 | D | 89 | Confident | 91.3 | Very high | 94 Ų | 94 | 33 Ų | 33 | 50% | 0.503 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -33.7 | -175.3 | -73.2 | -72.9 | 0 | 0 | 0 | 114.1 | S357 R360 | D355-S357 PolarHBondContact O-N 2.96Å; D355-R360 VanDerWaalsContact CA-NH2 3.31Å; D355-R360 PolarHBondContact O-NE 2.99Å; D355-R360 PolarHBondContact O-NH2 3.49Å; D355-R360 IonicContact OD1-CZ 3.14Å; D355-R360 VanDerWaalsContact OD1-CZ 3.23Å; D355-R360 IonicContact OD1-NH1 2.87Å; D355-R360 PolarHBondContact OD1-NH1 3.48Å; D355-R360 IonicContact OD1-NH2 3.35Å; D355-R360 PolarHBondContact OD1-NH2 2.79Å |
| 356 | N | 90.7 | Very high | 90.8 | Very high | 41 Ų | 41 | 32.5 Ų | 32.5 | 22% | 0.219 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 7.3 | 179 | -66.8 | -28.9 | 0 | 0 | 0 | 113.7 | D23 I25 S26 L354 P491 | D23-N356 PolarHBondContact OD2-ND2 3.36Å; I25-N356 HydrophobicContact CB-CB 3.94Å; I25-N356 HydrophobicContact CD1-CB 4.15Å; I25-N356 HydrophobicContact CG2-CB 3.69Å; S26-N356 PolarHBondContact OG-ND2 3.07Å; L354-N356 PolarHBondContact O-N 3.38Å; L354-N356 VanDerWaalsContact O-N 3.1Å; N356-P491 WeakPolarHBondContact O-CA 3.34Å |
| 357 | S | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -107.8 | 128.7 | 174.6 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | P352 L354 D355 L359 R360 | P352-S357 VanDerWaalsContact O-CB 3.23Å; P352-S357 WeakPolarHBondContact O-CB 3.48Å; P352-S357 PolarHBondContact O-OG 3.47Å; L354-S357 WeakPolarHBondContact O-CB 3.37Å; L354-S357 PolarHBondContact O-N 3.4Å; D355-S357 PolarHBondContact O-N 2.96Å; S357-L359 VanDerWaalsContact C-N 3.25Å; S357-L359 PolarHBondContact O-N 3.33Å; S357-L359 PolarHBondContact OG-N 3.4Å; S357-R360 WeakPolarHBondContact O-CG 3.26Å | ||
| 358 | A | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -68.3 | -22.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R360 F361 C490 W494 L519 M523 F534 | A358-R360 PolarHBondContact O-N 2.72Å; A358-F361 WeakPolarHBondContact O-CD2 3.32Å; A358-F361 PolarHBondContact O-N 3.29Å; A358-C490 HydrophobicContact CB-CB 4.04Å; A358-C490 WeakPolarHBondContact CB-O 3.4Å; A358-C490 PolarHBondContact N-O 2.71Å; A358-W494 HydrophobicContact CB-CZ3 4.4Å; A358-L519 HydrophobicContact CB-CD2 4.29Å; A358-L519 WeakPolarHBondContact O-CD1 3.23Å; A358-M523 HydrophobicContact CB-CE 3.78Å; A358-M523 HydrophobicContact CB-SD 4.18Å; A358-F534 HydrophobicContact CB-CE1 3.92Å; A358-F534 HydrophobicContact CB-CZ 4.12Å |
| 359 | L | 94.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -65.5 | -21.7 | -175.8 | -62.4 | -177.7 | 0 | 0 | 0 | 113 | P352 S357 F361 L362 M369 I370 N488 C490 F514 | P352-L359 HydrophobicContact CB-CD1 4.33Å; S357-L359 VanDerWaalsContact C-N 3.25Å; S357-L359 PolarHBondContact O-N 3.33Å; S357-L359 PolarHBondContact OG-N 3.4Å; L359-F361 PolarHBondContact O-N 3.46Å; L359-F361 VanDerWaalsContact O-N 3.16Å; L359-L362 HydrophobicContact CD2-CD1 3.75Å; L359-L362 PolarHBondContact O-N 2.74Å; L359-L362 VanDerWaalsContact O-N 3.12Å; L359-M369 WeakPolarHBondContact CD1-O 3.4Å; L359-I370 HydrophobicContact CB-CD1 4.32Å; L359-I370 HydrophobicContact CB-CG1 4.08Å; L359-I370 HydrophobicContact CD1-CG1 4.32Å; L359-N488 HydrophobicContact CD1-CB 4.43Å; L359-C490 HydrophobicContact CD2-CB 4.2Å; L359-C490 HydrophobicContact CG-CB 3.95Å; L359-F514 HydrophobicContact CD2-CE1 4.39Å; L359-F514 HydrophobicContact CD2-CZ 4.46Å |
| 360 | R | 92.7 | Very high | 88.6 | Confident | 47 Ų | 47 | 33.9 Ų | 33.9 | 18% | 0.177 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -59.2 | -24.5 | 175.3 | 76.4 | 179.3 | 161.7 | 148.7 | -18.9 | 113.8 | D355 S357 A358 L362 E528 | D355-R360 VanDerWaalsContact CA-NH2 3.31Å; D355-R360 PolarHBondContact O-NE 2.99Å; D355-R360 PolarHBondContact O-NH2 3.49Å; D355-R360 IonicContact OD1-CZ 3.14Å; D355-R360 VanDerWaalsContact OD1-CZ 3.23Å; D355-R360 IonicContact OD1-NH1 2.87Å; D355-R360 PolarHBondContact OD1-NH1 3.48Å; D355-R360 IonicContact OD1-NH2 3.35Å; D355-R360 PolarHBondContact OD1-NH2 2.79Å; S357-R360 WeakPolarHBondContact O-CG 3.26Å; A358-R360 PolarHBondContact O-N 2.72Å; R360-L362 VanDerWaalsContact C-N 3.33Å; R360-E528 IonicContact CZ-OE2 3.01Å; R360-E528 IonicContact NH1-OE2 2.63Å; R360-E528 PolarHBondContact NH1-OE2 3.43Å |
| 361 | F | 93.5 | Very high | 88.5 | Confident | 17 Ų | 17 | 32.5 Ų | 32.5 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -86.1 | 0.3 | -179.4 | -59.6 | -74.7 | 0 | 0 | 0 | 113.8 | A358 L359 L519 R522 M523 E528 L530 | A358-F361 WeakPolarHBondContact O-CD2 3.32Å; A358-F361 PolarHBondContact O-N 3.29Å; L359-F361 PolarHBondContact O-N 3.46Å; L359-F361 VanDerWaalsContact O-N 3.16Å; F361-L519 HydrophobicContact CB-CD1 3.93Å; F361-R522 WeakPolarHBondContact O-CD 3.39Å; F361-M523 HydrophobicContact CB-CG 3.93Å; F361-M523 HydrophobicContact CD1-CG 4.41Å; F361-M523 HydrophobicContact CD2-CE 3.68Å; F361-M523 HydrophobicContact CD2-CG 3.56Å; F361-M523 HydrophobicContact CD2-SD 4.2Å; F361-M523 HydrophobicContact CE2-CE 3.73Å; F361-M523 HydrophobicContact CE2-CG 4.16Å; F361-M523 HydrophobicContact CG-CG 3.7Å; F361-E528 HydrophobicContact CE1-CB 4.39Å; F361-L530 HydrophobicContact CE1-CD2 4.36Å; F361-L530 HydrophobicContact CE2-CD2 3.83Å; F361-L530 HydrophobicContact CZ-CD2 3.51Å |
| 362 | L | 90.3 | Very high | 88.4 | Confident | 20 Ų | 20 | 32.6 Ų | 32.6 | 11% | 0.105 | 17% | 0.172 | C | C | . | . | trans | -84.4 | 134.1 | 175 | -64.7 | 176.7 | 0 | 0 | 0 | 110.9 | L359 R360 R364 I366 I370 F514 L519 | L359-L362 HydrophobicContact CD2-CD1 3.75Å; L359-L362 PolarHBondContact O-N 2.74Å; L359-L362 VanDerWaalsContact O-N 3.12Å; R360-L362 VanDerWaalsContact C-N 3.33Å; L362-R364 VanDerWaalsContact C-N 3.33Å; L362-R364 PolarHBondContact O-N 2.71Å; L362-I366 HydrophobicContact CD1-CD1 3.92Å; L362-I370 HydrophobicContact CB-CD1 4.07Å; L362-I370 HydrophobicContact CD1-CD1 4.26Å; L362-F514 HydrophobicContact CD1-CD1 3.8Å; L362-F514 HydrophobicContact CD1-CD2 4.37Å; L362-F514 HydrophobicContact CD1-CE1 3.88Å; L362-F514 HydrophobicContact CD1-CE2 4.45Å; L362-F514 HydrophobicContact CD1-CG 4.07Å; L362-F514 HydrophobicContact CD1-CZ 4.22Å; L362-F514 HydrophobicContact CD2-CB 4.43Å; L362-F514 HydrophobicContact CD2-CD2 4.03Å; L362-F514 HydrophobicContact CD2-CE2 4.49Å; L362-F514 HydrophobicContact CD2-CG 4.17Å; L362-L519 HydrophobicContact CD2-CB 4.19Å; L362-L519 HydrophobicContact CD2-CD1 4.01Å; L362-L519 HydrophobicContact CG-CD1 4.28Å | ||
| 363 | P | 74.6 | Confident | 88.5 | Confident | 78 Ų | 78 | 34.8 Ų | 34.8 | 51% | 0.506 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -78.8 | -13.2 | -169.2 | 33.4 | -39.5 | 0 | 0 | 0 | 114.3 | ||
| 364 | R | 74.2 | Confident | 88.6 | Confident | 82 Ų | 82 | 30.6 Ų | 30.6 | 31% | 0.309 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -119.8 | 144.2 | -178 | -55.9 | -172.6 | -157.4 | -145.2 | 9 | 109 | L362 I366 D2361 E2363 | L362-R364 VanDerWaalsContact C-N 3.33Å; L362-R364 PolarHBondContact O-N 2.71Å; R364-I366 VanDerWaalsContact C-N 3.31Å; R364-I366 PolarHBondContact O-N 3.29Å; R364-D2361 PolarHBondContact NH1-O 3.13Å; R364-E2363 IonicContact NH1-OE2 2.76Å |
| 365 | N | 78.3 | Confident | 88.7 | Confident | 64 Ų | 64 | 32 Ų | 32 | 34% | 0.342 | 16% | 0.162 | S | C | . | . | trans | -80.4 | 79.3 | 178.5 | -77.6 | -112.9 | 0 | 0 | 0 | 109.6 | S367 I371 | N365-S367 PolarHBondContact O-N 2.91Å; N365-I371 HydrophobicContact CB-CD1 3.9Å; N365-I371 HydrophobicContact CB-CG1 3.95Å; N365-I371 VanDerWaalsContact O-CD1 3.28Å; N365-I371 WeakPolarHBondContact O-CD1 3.24Å | ||
| 366 | I | 83.6 | Confident | 89.1 | Confident | 29 Ų | 29 | 27.6 Ų | 27.6 | 15% | 0.149 | 14% | 0.138 | C | C | . | . | trans | -57.4 | 121.4 | -177.4 | -57.7 | 179.7 | 0 | 0 | 0 | 109.8 | L362 R364 M369 I370 I371 V513 F514 | L362-I366 HydrophobicContact CD1-CD1 3.92Å; R364-I366 VanDerWaalsContact C-N 3.31Å; R364-I366 PolarHBondContact O-N 3.29Å; I366-M369 HydrophobicContact CB-CB 4.23Å; I366-M369 HydrophobicContact CG2-CB 3.95Å; I366-M369 HydrophobicContact CG2-CG 3.98Å; I366-M369 HydrophobicContact CG2-SD 4.31Å; I366-M369 PolarHBondContact O-N 2.7Å; I366-I370 HydrophobicContact CB-CD1 4.42Å; I366-I370 HydrophobicContact CG1-CD1 4.47Å; I366-I370 PolarHBondContact O-N 3.12Å; I366-I371 PolarHBondContact O-N 3.5Å; I366-I371 VanDerWaalsContact O-N 3.12Å; I366-V513 HydrophobicContact CD1-CG1 4.48Å; I366-V513 HydrophobicContact CG2-CG1 3.74Å; I366-F514 HydrophobicContact CD1-CB 4.2Å; I366-F514 HydrophobicContact CD1-CD1 3.76Å; I366-F514 HydrophobicContact CD1-CG 4.39Å | ||
| 367 | S | 80.1 | Confident | 89.4 | Confident | 45 Ų | 45 | 25.7 Ų | 25.7 | 32% | 0.315 | 13% | 0.128 | S | C | . | . | B | Isolated β-bridge | trans | -64.3 | 132.9 | 177.2 | -167 | 0 | 0 | 0 | 0 | 110.5 | N318 N365 M369 W373 | N318-S367 PolarHBondContact ND2-OG 3.23Å; N365-S367 PolarHBondContact O-N 2.91Å; S367-M369 VanDerWaalsContact C-N 3.27Å; S367-M369 PolarHBondContact O-N 2.99Å; S367-W373 PolarHBondContact OG-NE1 2.77Å |
| 368 | G | 76.6 | Confident | 89.5 | Confident | 9 Ų | 9 | 25.9 Ų | 25.9 | 9% | 0.093 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -53.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I371 N488 | G368-I371 CarbonylContact C-O 3.39Å; G368-I371 VanDerWaalsContact CA-O 3.3Å; G368-I371 WeakPolarHBondContact CA-O 3.28Å; G368-I371 PolarHBondContact N-O 2.91Å; G368-N488 PolarHBondContact O-OD1 3.22Å |
| 369 | M | 89.5 | Confident | 89.6 | Confident | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.03 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -41.1 | -176.3 | -58.3 | -164.4 | 80 | 0 | 0 | 114.3 | L359 I366 S367 D389 N488 V513 F514 | L359-M369 WeakPolarHBondContact CD1-O 3.4Å; I366-M369 HydrophobicContact CB-CB 4.23Å; I366-M369 HydrophobicContact CG2-CB 3.95Å; I366-M369 HydrophobicContact CG2-CG 3.98Å; I366-M369 HydrophobicContact CG2-SD 4.31Å; I366-M369 PolarHBondContact O-N 2.7Å; S367-M369 VanDerWaalsContact C-N 3.27Å; S367-M369 PolarHBondContact O-N 2.99Å; M369-D389 HydrophobicContact CE-CB 4.44Å; M369-D389 HydrophobicContact SD-CB 4.33Å; M369-N488 WeakPolarHBondContact CA-OD1 3.35Å; M369-N488 HydrophobicContact CB-CB 4.3Å; M369-N488 HydrophobicContact CE-CB 4.36Å; M369-V513 HydrophobicContact SD-CB 4.22Å; M369-V513 HydrophobicContact SD-CG1 4.15Å; M369-F514 HydrophobicContact CE-CE1 3.99Å; M369-F514 HydrophobicContact SD-CD1 4.32Å; M369-F514 HydrophobicContact SD-CE1 3.96Å |
| 370 | I | 92.1 | Very high | 89.7 | Confident | 9 Ų | 9 | 26 Ų | 26 | 5% | 0.046 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -36.2 | -178.7 | -61.8 | 174.7 | 0 | 0 | 0 | 110.7 | L353 L359 L362 I366 | L353-I370 HydrophobicContact CD2-CG2 4.08Å; L359-I370 HydrophobicContact CB-CD1 4.32Å; L359-I370 HydrophobicContact CB-CG1 4.08Å; L359-I370 HydrophobicContact CD1-CG1 4.32Å; L362-I370 HydrophobicContact CB-CD1 4.07Å; L362-I370 HydrophobicContact CD1-CD1 4.26Å; I366-I370 HydrophobicContact CB-CD1 4.42Å; I366-I370 HydrophobicContact CG1-CD1 4.47Å; I366-I370 PolarHBondContact O-N 3.12Å |
| 371 | I | 92 | Very high | 89.9 | Confident | 15 Ų | 15 | 23.8 Ų | 23.8 | 8% | 0.077 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -95.6 | 122.7 | 170.9 | -49.3 | 168.6 | 0 | 0 | 0 | 108.6 | N318 R320 N365 I366 G368 | N318-I371 VanDerWaalsContact OD1-CG2 3.32Å; N318-I371 WeakPolarHBondContact OD1-CG2 3.35Å; R320-I371 HydrophobicContact CB-CG2 3.69Å; N365-I371 HydrophobicContact CB-CD1 3.9Å; N365-I371 HydrophobicContact CB-CG1 3.95Å; N365-I371 VanDerWaalsContact O-CD1 3.28Å; N365-I371 WeakPolarHBondContact O-CD1 3.24Å; I366-I371 PolarHBondContact O-N 3.5Å; I366-I371 VanDerWaalsContact O-N 3.12Å; G368-I371 CarbonylContact C-O 3.39Å; G368-I371 VanDerWaalsContact CA-O 3.3Å; G368-I371 WeakPolarHBondContact CA-O 3.28Å; G368-I371 PolarHBondContact N-O 2.91Å |
| 372 | P | 94.5 | Very high | 90 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | trans | -56.7 | 151 | 178.6 | -25.9 | 33.6 | 0 | 0 | 0 | 114.3 | A319 L348 E485 A486 V487 | A319-P372 HydrophobicContact CB-CB 4.03Å; A319-P372 WeakPolarHBondContact CB-O 3.31Å; A319-P372 PolarHBondContact N-O 2.79Å; L348-P372 HydrophobicContact CB-CB 4.46Å; L348-P372 HydrophobicContact CB-CG 3.99Å; L348-P372 VanDerWaalsContact O-CG 3.31Å; L348-P372 WeakPolarHBondContact O-CG 3.25Å; P372-E485 HydrophobicContact CB-CG 3.78Å; P372-A486 CarbonylContact C-O 3.59Å; P372-A486 VanDerWaalsContact CA-O 3.23Å; P372-A486 WeakPolarHBondContact CA-O 3.41Å; P372-V487 HydrophobicContact CB-CB 4.24Å; P372-V487 HydrophobicContact CB-CG2 4.43Å; P372-V487 HydrophobicContact CG-CB 4.07Å; P372-V487 HydrophobicContact CG-CG2 4.01Å | ||
| 373 | W | 94.9 | Very high | 90.2 | Very high | 46 Ų | 46 | 24 Ų | 24 | 17% | 0.174 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132.7 | 169.7 | -78.2 | 3.9 | 0 | 0 | 0 | 110.9 | D316 S367 Y375 E485 A486 | D316-W373 HydrophobicContact CB-CD2 3.96Å; D316-W373 HydrophobicContact CB-CE3 3.61Å; D316-W373 HydrophobicContact CB-CH2 3.97Å; D316-W373 HydrophobicContact CB-CZ2 4.28Å; D316-W373 HydrophobicContact CB-CZ3 3.62Å; S367-W373 PolarHBondContact OG-NE1 2.77Å; W373-Y375 HydrophobicContact CB-CE2 3.91Å; W373-Y375 WeakPolarHBondContact O-CD2 3.14Å; W373-Y375 VanDerWaalsContact O-CE2 3.32Å; W373-Y375 WeakPolarHBondContact O-CE2 3.25Å; W373-E485 CarbonylContact O-C 3.59Å; W373-E485 WeakPolarHBondContact O-CA 3.33Å; W373-A486 PolarHBondContact N-O 2.98Å; W373-A486 PolarHBondContact O-N 3.46Å |
| 374 | C | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 143.9 | 172.5 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | L317 F483 A484 | L317-C374 HydrophobicContact CB-CB 4.2Å; L317-C374 WeakPolarHBondContact CB-O 3.45Å; L317-C374 PolarHBondContact N-O 2.96Å; L317-C374 PolarHBondContact O-N 2.91Å; C374-F483 HydrophobicContact CB-CE1 3.99Å; C374-F483 HydrophobicContact CB-CE2 4.26Å; C374-F483 HydrophobicContact CB-CZ 3.58Å; C374-A484 CarbonylContact C-O 3.49Å; C374-A484 WeakPolarHBondContact CA-O 3.48Å |
| 375 | Y | 96.4 | Very high | 92.1 | Very high | 67 Ų | 67 | 16.6 Ų | 16.6 | 26% | 0.263 | 8% | 0.084 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 131.5 | -178.8 | -58.6 | -92 | 0 | 0 | 0 | 109.6 | G314 A315 W373 F483 A484 A486 | G314-Y375 CarbonylContact O-C 3.4Å; G314-Y375 WeakPolarHBondContact O-CA 3.39Å; A315-Y375 HydrophobicContact CB-CD1 3.77Å; A315-Y375 HydrophobicContact CB-CE1 4.09Å; W373-Y375 HydrophobicContact CB-CE2 3.91Å; W373-Y375 WeakPolarHBondContact O-CD2 3.14Å; W373-Y375 VanDerWaalsContact O-CE2 3.32Å; W373-Y375 WeakPolarHBondContact O-CE2 3.25Å; Y375-F483 WeakPolarHBondContact O-CA 3.12Å; Y375-A484 PolarHBondContact N-O 3.28Å; Y375-A484 PolarHBondContact O-N 2.84Å; Y375-A486 HydrophobicContact CE2-CB 3.98Å |
| 376 | V | 97.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.006 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 104 | -179.9 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | F60 F62 L267 F270 G314 L317 F481 N482 F483 | F60-V376 HydrophobicContact CE1-CG2 4.28Å; F62-V376 HydrophobicContact CE1-CB 4.47Å; F62-V376 HydrophobicContact CE1-CG1 4.3Å; F62-V376 HydrophobicContact CE1-CG2 4.23Å; F62-V376 HydrophobicContact CE2-CB 4.2Å; F62-V376 HydrophobicContact CE2-CG2 4.44Å; F62-V376 HydrophobicContact CZ-CB 3.89Å; F62-V376 HydrophobicContact CZ-CG1 3.79Å; F62-V376 HydrophobicContact CZ-CG2 4.1Å; L267-V376 HydrophobicContact CD1-CB 4.45Å; L267-V376 HydrophobicContact CD1-CG1 3.49Å; L267-V376 VanDerWaalsContact CD1-CG1 3.49Å; L267-V376 HydrophobicContact CD1-CG2 4.05Å; F270-V376 HydrophobicContact CD1-CG1 3.6Å; F270-V376 HydrophobicContact CE1-CG1 3.75Å; F270-V376 HydrophobicContact CG-CG1 4.43Å; G314-V376 PolarHBondContact N-O 3.46Å; G314-V376 PolarHBondContact O-N 3.37Å; L317-V376 HydrophobicContact CD1-CG2 4.01Å; V376-F481 HydrophobicContact CG1-CE2 4Å; V376-N482 CarbonylContact C-O 3.55Å; V376-N482 WeakPolarHBondContact CA-O 3.25Å; V376-F483 HydrophobicContact CG2-CD2 3.93Å; V376-F483 HydrophobicContact CG2-CE2 4.25Å |
| 377 | G | 96.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 152.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S381 G480 F481 N482 | G377-S381 WeakPolarHBondContact CA-OG 3.25Å; G377-G480 CarbonylContact C-O 3.59Å; G377-F481 VanDerWaalsContact O-CA 3.3Å; G377-F481 WeakPolarHBondContact O-CA 3.21Å; G377-N482 WeakPolarHBondContact CA-OD1 3.38Å; G377-N482 PolarHBondContact N-O 3.11Å; G377-N482 PolarHBondContact N-OD1 2.94Å; G377-N482 PolarHBondContact O-N 2.74Å |
| 378 | M | 96.9 | Very high | 94 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 3% | 0.025 | 6% | 0.062 | C | C | . | . | trans | -125.3 | 170.8 | 155.5 | 73.1 | 179.9 | -83.5 | 0 | 0 | 110.1 | F270 A274 F277 V311 E312 F380 S381 N478 G480 | F270-M378 HydrophobicContact CE1-CB 4.06Å; F270-M378 HydrophobicContact CZ-CB 3.98Å; F270-M378 HydrophobicContact CZ-CG 4.28Å; F270-M378 HydrophobicContact CZ-SD 4.32Å; A274-M378 HydrophobicContact CB-CB 3.46Å; A274-M378 VanDerWaalsContact CB-CB 3.46Å; F277-M378 HydrophobicContact CB-CE 3.66Å; F277-M378 HydrophobicContact CD1-CE 3.19Å; F277-M378 HydrophobicContact CD2-CE 3.97Å; F277-M378 HydrophobicContact CE1-CE 3.77Å; F277-M378 HydrophobicContact CE2-CE 4.45Å; F277-M378 HydrophobicContact CG-CE 3.31Å; F277-M378 HydrophobicContact CZ-CE 4.37Å; V311-M378 HydrophobicContact CB-CE 4.32Å; V311-M378 HydrophobicContact CB-CG 4.36Å; V311-M378 HydrophobicContact CB-SD 4.1Å; V311-M378 HydrophobicContact CG1-CE 4.2Å; E312-M378 HydrophobicContact CB-SD 4.31Å; E312-M378 PolarHBondContact N-SD 2.98Å; E312-M378 WeakPolarHBondContact O-CG 3.35Å; M378-F380 PolarHBondContact O-N 3.41Å; M378-S381 PolarHBondContact N-OG 2.97Å; M378-S381 WeakPolarHBondContact O-CB 3.34Å; M378-S381 PolarHBondContact O-N 3.12Å; M378-S381 PolarHBondContact O-OG 2.95Å; M378-N478 WeakPolarHBondContact O-CB 3.43Å; M378-G480 CarbonylContact C-O 3.29Å; M378-G480 VanDerWaalsContact C-O 3.25Å; M378-G480 WeakPolarHBondContact CA-O 3.34Å | ||
| 379 | A | 97.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 2% | 0.017 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | 132.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F277 K278 S381 N478 | F277-A379 HydrophobicContact CD1-CB 4.22Å; F277-A379 HydrophobicContact CE1-CB 4.16Å; K278-A379 HydrophobicContact CB-CB 3.97Å; K278-A379 HydrophobicContact CD-CB 4.16Å; K278-A379 HydrophobicContact CG-CB 4.15Å; A379-S381 PolarHBondContact O-N 3.38Å; A379-S381 VanDerWaalsContact O-N 3.13Å; A379-N478 CarbonylContact C-O 3.57Å; A379-N478 WeakPolarHBondContact CA-O 3.36Å |
| 380 | F | 97.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.009 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | -4.3 | -176 | -43.9 | -51.2 | 0 | 0 | 0 | 117.3 | L69 F277 H281 F282 E297 F298 L301 V311 M378 C382 N478 | L69-F380 HydrophobicContact CD1-CB 3.9Å; L69-F380 HydrophobicContact CD1-CD2 4.33Å; L69-F380 HydrophobicContact CD1-CG 4.32Å; L69-F380 HydrophobicContact CD2-CB 4.41Å; F277-F380 AromaticContact CE1-CD2 3.75Å; F277-F380 HydrophobicContact CE1-CD2 3.75Å; F277-F380 HydrophobicContact CE1-CE2 4.03Å; F277-F380 AromaticContact CZ-CD2 3.92Å; F277-F380 HydrophobicContact CZ-CD2 3.92Å; F277-F380 HydrophobicContact CZ-CE2 4.18Å; H281-F380 AromaticContact CD2-CE2 3.67Å; H281-F380 AromaticContact CD2-CZ 3.76Å; H281-F380 AromaticContact CG-CE2 3.86Å; H281-F380 AromaticContact ND1-CE2 3.98Å; H281-F380 AromaticContact NE2-CZ 3.92Å; F282-F380 HydrophobicContact CE1-CZ 4.43Å; F282-F380 HydrophobicContact CE2-CE1 4.2Å; F282-F380 HydrophobicContact CE2-CE2 4.28Å; F282-F380 AromaticContact CE2-CZ 3.58Å; F282-F380 HydrophobicContact CE2-CZ 3.58Å; F282-F380 AromaticContact CZ-CE1 3.78Å; F282-F380 HydrophobicContact CZ-CE1 3.78Å; F282-F380 HydrophobicContact CZ-CE2 4.45Å; F282-F380 AromaticContact CZ-CZ 3.38Å; F282-F380 HydrophobicContact CZ-CZ 3.38Å; E297-F380 HydrophobicContact CB-CE1 4.32Å; E297-F380 HydrophobicContact CB-CZ 4.37Å; E297-F380 HydrophobicContact CG-CE1 4.03Å; E297-F380 HydrophobicContact CG-CZ 3.63Å; F298-F380 HydrophobicContact CB-CD1 3.94Å; F298-F380 HydrophobicContact CB-CE1 4.33Å; F298-F380 HydrophobicContact CD2-CB 3.96Å; F298-F380 HydrophobicContact CD2-CD1 4.11Å; F298-F380 HydrophobicContact CD2-CG 4.43Å; F298-F380 HydrophobicContact CE2-CB 4.47Å; F298-F380 WeakPolarHBondContact CE2-O 3.46Å; L301-F380 HydrophobicContact CD1-CD2 4.02Å; L301-F380 HydrophobicContact CD1-CE1 4.38Å; L301-F380 HydrophobicContact CD1-CE2 3.75Å; L301-F380 HydrophobicContact CD1-CG 4.45Å; L301-F380 HydrophobicContact CD1-CZ 3.93Å; V311-F380 HydrophobicContact CG1-CB 4.27Å; M378-F380 PolarHBondContact O-N 3.41Å; F380-C382 PolarHBondContact O-N 2.71Å; F380-N478 PolarHBondContact N-O 3.37Å |
| 381 | S | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -63.6 | 131.7 | 172.3 | 60.3 | 0 | 0 | 0 | 0 | 110.5 | G377 M378 A379 F477 N478 | G377-S381 WeakPolarHBondContact CA-OG 3.25Å; M378-S381 PolarHBondContact N-OG 2.97Å; M378-S381 WeakPolarHBondContact O-CB 3.34Å; M378-S381 PolarHBondContact O-N 3.12Å; M378-S381 PolarHBondContact O-OG 2.95Å; A379-S381 PolarHBondContact O-N 3.38Å; A379-S381 VanDerWaalsContact O-N 3.13Å; S381-F477 CarbonylContact O-C 3.48Å; S381-F477 VanDerWaalsContact O-CA 3.27Å; S381-F477 WeakPolarHBondContact O-CA 3.49Å; S381-N478 PolarHBondContact O-N 3.31Å; S381-N478 PolarHBondContact O-ND2 2.87Å; S381-N478 PolarHBondContact OG-ND2 3.27Å | ||
| 382 | C | 95.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.014 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 159.7 | -161.2 | 65.6 | 0 | 0 | 0 | 0 | 114.5 | Q67 F298 F380 G476 F477 | Q67-C382 PolarHBondContact NE2-O 2.75Å; Q67-C382 PolarHBondContact OE1-SG 3.4Å; Q67-C382 VanDerWaalsContact OE1-SG 3.39Å; F298-C382 HydrophobicContact CE2-CB 3.83Å; F298-C382 HydrophobicContact CZ-CB 3.65Å; F380-C382 PolarHBondContact O-N 2.71Å; C382-G476 CarbonylContact C-O 3.55Å; C382-G476 VanDerWaalsContact CA-O 3.23Å; C382-G476 WeakPolarHBondContact CA-O 3.41Å; C382-G476 VanDerWaalsContact CB-O 3.29Å; C382-G476 WeakPolarHBondContact CB-O 3.24Å; C382-F477 HydrophobicContact CB-CB 3.93Å |
| 383 | F | 94.4 | Very high | 95.4 | Very high | 40 Ų | 40 | 14.5 Ų | 14.5 | 18% | 0.175 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.8 | 168 | 54.6 | -80.1 | 0 | 0 | 0 | 108.2 | H386 K404 W406 A475 G476 | F383-H386 AromaticContact CD2-CE1 3.99Å; F383-K404 HydrophobicContact CE1-CD 4.08Å; F383-K404 HydrophobicContact CE1-CG 4.21Å; F383-W406 HydrophobicContact CE2-CD2 4.28Å; F383-W406 AromaticContact CE2-CE3 3.62Å; F383-W406 HydrophobicContact CE2-CE3 3.62Å; F383-W406 HydrophobicContact CE2-CH2 4.35Å; F383-W406 AromaticContact CE2-CZ3 3.67Å; F383-W406 HydrophobicContact CE2-CZ3 3.67Å; F383-W406 AromaticContact CZ-CD2 3.7Å; F383-W406 HydrophobicContact CZ-CD2 3.7Å; F383-W406 AromaticContact CZ-CE3 3.52Å; F383-W406 HydrophobicContact CZ-CE3 3.52Å; F383-W406 HydrophobicContact CZ-CG 4.32Å; F383-W406 HydrophobicContact CZ-CH2 4.16Å; F383-W406 HydrophobicContact CZ-CZ2 4.32Å; F383-W406 AromaticContact CZ-CZ3 3.77Å; F383-W406 HydrophobicContact CZ-CZ3 3.77Å; F383-A475 WeakPolarHBondContact CE2-O 3.43Å; F383-A475 WeakPolarHBondContact O-CA 3.41Å; F383-G476 WeakPolarHBondContact CD1-O 3.14Å; F383-G476 VanDerWaalsContact CE1-C 3.48Å; F383-G476 VanDerWaalsContact CE2-N 3.35Å; F383-G476 VanDerWaalsContact CZ-CA 3.46Å; F383-G476 PolarHBondContact N-O 3.36Å; F383-G476 PolarHBondContact O-N 3.49Å |
| 384 | C | 94.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.007 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 176 | -174.1 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | V72 H386 M439 T440 H474 | V72-C384 WeakPolarHBondContact CG1-SG 3.42Å; C384-H386 PolarHBondContact O-N 2.89Å; C384-H386 PolarHBondContact O-ND1 2.89Å; C384-M439 WeakPolarHBondContact CB-O 3.23Å; C384-M439 PolarHBondContact SG-O 2.88Å; C384-T440 VanDerWaalsContact SG-CA 3.56Å; C384-H474 VanDerWaalsContact O-O 3.09Å |
| 385 | W | 94.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.008 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 122.1 | 172.9 | -67.1 | 111.6 | 0 | 0 | 0 | 111.6 | V409 F417 V443 P445 L448 V455 F473 H474 A475 | W385-V409 HydrophobicContact CH2-CG2 4.02Å; W385-V409 HydrophobicContact CZ3-CG2 3.79Å; W385-F417 HydrophobicContact CB-CE1 4.37Å; W385-F417 HydrophobicContact CB-CE2 4.34Å; W385-F417 HydrophobicContact CB-CZ 3.56Å; W385-F417 AromaticContact CD2-CE2 3.76Å; W385-F417 HydrophobicContact CD2-CE2 3.76Å; W385-F417 AromaticContact CD2-CZ 3.9Å; W385-F417 HydrophobicContact CD2-CZ 3.9Å; W385-F417 HydrophobicContact CE3-CE2 4.03Å; W385-F417 HydrophobicContact CE3-CZ 4.26Å; W385-F417 AromaticContact CG-CE2 3.9Å; W385-F417 HydrophobicContact CG-CE2 3.9Å; W385-F417 AromaticContact CG-CZ 3.59Å; W385-F417 HydrophobicContact CG-CZ 3.59Å; W385-V443 PolarHBondContact NE1-O 2.99Å; W385-P445 HydrophobicContact CZ2-CG 4.46Å; W385-L448 HydrophobicContact CH2-CD1 4.32Å; W385-L448 HydrophobicContact CZ2-CD1 3.53Å; W385-V455 HydrophobicContact CH2-CG1 3.85Å; W385-V455 HydrophobicContact CZ2-CG1 4.42Å; W385-F473 HydrophobicContact CE3-CB 4.27Å; W385-H474 WeakPolarHBondContact CA-O 3.4Å; W385-A475 HydrophobicContact CD2-CB 3.5Å; W385-A475 VanDerWaalsContact CD2-CB 3.5Å; W385-A475 HydrophobicContact CE3-CB 3.66Å; W385-A475 HydrophobicContact CG-CB 3.91Å; W385-A475 HydrophobicContact CH2-CB 4.37Å; W385-A475 HydrophobicContact CZ2-CB 4.22Å; W385-A475 HydrophobicContact CZ3-CB 4.1Å |
| 386 | H | 93.2 | Very high | 95.7 | Very high | 27 Ų | 27 | 9.7 Ų | 9.7 | 13% | 0.125 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 171 | 175.1 | 67.3 | -57.2 | 0 | 0 | 0 | 110.6 | F383 C384 M439 F473 H474 | F383-H386 AromaticContact CD2-CE1 3.99Å; C384-H386 PolarHBondContact O-N 2.89Å; C384-H386 PolarHBondContact O-ND1 2.89Å; H386-M439 HydrophobicContact CB-CB 4.4Å; H386-M439 HydrophobicContact CB-CG 3.77Å; H386-M439 HydrophobicContact CB-SD 4.13Å; H386-M439 PolarHBondContact CD2-SD 3.3Å; H386-F473 WeakPolarHBondContact O-CA 3.44Å; H386-H474 AromaticContact CE1-CD2 3.56Å; H386-H474 AromaticContact CE1-NE2 3.22Å; H386-H474 PolarHBondContact CE1-NE2 3.45Å; H386-H474 PolarHBondContact N-O 3.26Å; H386-H474 VanDerWaalsContact N-O 3.08Å; H386-H474 AromaticContact ND1-NE2 3.9Å; H386-H474 PolarHBondContact ND1-O 3.41Å; H386-H474 AromaticContact NE2-NE2 3.45Å; H386-H474 PolarHBondContact NE2-NE2 3.11Å; H386-H474 PolarHBondContact O-N 2.7Å; H386-H474 PolarHBondContact O-ND1 3Å |
| 387 | T | 94.2 | Very high | 95.7 | Very high | 13 Ų | 13 | 10.1 Ų | 10.1 | 8% | 0.08 | 5% | 0.05 | C | C | . | . | trans | -117 | 156 | 164.9 | 62.1 | 0 | 0 | 0 | 0 | 108.6 | R471 F473 | T387-R471 HydrophobicContact CG2-CG 4.44Å; T387-F473 HydrophobicContact CG2-CD1 3.76Å; T387-F473 HydrophobicContact CG2-CD2 3.87Å; T387-F473 HydrophobicContact CG2-CE1 3.79Å; T387-F473 HydrophobicContact CG2-CE2 3.91Å; T387-F473 HydrophobicContact CG2-CG 3.81Å; T387-F473 HydrophobicContact CG2-CZ 3.87Å | ||
| 388 | E | 93.7 | Very high | 95.8 | Very high | 30 Ų | 30 | 10.1 Ų | 10.1 | 14% | 0.14 | 5% | 0.049 | C | C | . | . | trans | -56.8 | 153.7 | 171 | -61.1 | -59.8 | 158.9 | 0 | 0 | 113.3 | W391 S392 S394 H474 N488 | E388-W391 PolarHBondContact O-N 3.07Å; E388-W391 VanDerWaalsContact O-N 3.07Å; E388-S392 VanDerWaalsContact CB-O 3.32Å; E388-S392 WeakPolarHBondContact CB-O 3.44Å; E388-S394 VanDerWaalsContact CD-OG 3.25Å; E388-S394 WeakPolarHBondContact OE1-CB 3.32Å; E388-S394 PolarHBondContact OE1-OG 2.91Å; E388-H474 IonicContact OE1-CE1 1.84Å; E388-H474 PolarHBondContact OE1-CE1 3.17Å; E388-H474 IonicContact OE1-NE2 3.79Å; E388-N488 PolarHBondContact OE2-ND2 3.12Å | ||
| 389 | D | 90.7 | Very high | 95.8 | Very high | 50 Ų | 50 | 10.7 Ų | 10.7 | 27% | 0.267 | 5% | 0.052 | S | C | . | . | G | 310 helix | trans | -63.4 | 139.7 | 174 | -101 | -46.6 | 0 | 0 | 0 | 111.2 | M369 W391 S392 Y505 R510 V513 | M369-D389 HydrophobicContact CE-CB 4.44Å; M369-D389 HydrophobicContact SD-CB 4.33Å; D389-W391 PolarHBondContact O-N 2.72Å; D389-W391 VanDerWaalsContact O-N 3.13Å; D389-S392 WeakPolarHBondContact O-CB 3.37Å; D389-S392 PolarHBondContact O-N 3.07Å; D389-S392 VanDerWaalsContact O-N 3.08Å; D389-S392 PolarHBondContact O-OG 3.38Å; D389-Y505 PolarHBondContact OD1-OH 2.92Å; D389-R510 IonicContact OD1-CZ 3.51Å; D389-R510 IonicContact OD1-NH1 2.73Å; D389-R510 PolarHBondContact OD1-NH1 3.02Å; D389-R510 IonicContact OD1-NH2 3.35Å; D389-R510 PolarHBondContact OD1-NH2 2.7Å; D389-R510 IonicContact OD2-NH2 3.15Å; D389-V513 HydrophobicContact CB-CG2 3.88Å; D389-V513 VanDerWaalsContact CG-CG2 3.45Å |
| 390 | H | 94.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | 53.6 | 20.4 | -168.8 | -61.8 | -100.1 | 0 | 0 | 0 | 115.2 | S392 W494 C501 Y505 V513 F514 | H390-S392 PolarHBondContact O-N 3.35Å; H390-W494 HydrophobicContact CB-CZ2 3.93Å; H390-W494 PolarHBondContact O-NE1 2.93Å; H390-C501 VanDerWaalsContact CA-SG 3.51Å; H390-Y505 PolarHBondContact N-OH 2.96Å; H390-V513 PolarHBondContact NE2-N 3.12Å; H390-F514 AromaticContact CD2-CD1 3.83Å; H390-F514 AromaticContact CD2-CE1 3.42Å; H390-F514 VanDerWaalsContact CD2-CE1 3.42Å; H390-F514 WeakPolarHBondContact CD2-CE1 3.42Å; H390-F514 AromaticContact CD2-CZ 3.86Å; H390-F514 AromaticContact CE1-CD1 3.85Å; H390-F514 AromaticContact CE1-CD2 3.9Å; H390-F514 AromaticContact CE1-CE1 3.83Å; H390-F514 AromaticContact CE1-CE2 3.86Å; H390-F514 AromaticContact CE1-CG 3.87Å; H390-F514 AromaticContact CE1-CZ 3.83Å; H390-F514 PolarHBondContact CE1-O 3.2Å; H390-F514 VanDerWaalsContact CE1-O 3.3Å; H390-F514 AromaticContact CG-CZ 3.99Å; H390-F514 AromaticContact NE2-CD1 3.22Å; H390-F514 WeakPolarHBondContact NE2-CD1 3.27Å; H390-F514 AromaticContact NE2-CE1 3.28Å; H390-F514 VanDerWaalsContact NE2-CE1 3.28Å; H390-F514 WeakPolarHBondContact NE2-CE1 3.4Å; H390-F514 AromaticContact NE2-CG 3.67Å; H390-F514 AromaticContact NE2-CZ 3.75Å; H390-F514 PolarHBondContact NE2-N 2.88Å |
| 391 | W | 96.4 | Very high | 95.7 | Very high | 14 Ų | 14 | 13.8 Ų | 13.8 | 5% | 0.053 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | 52.1 | 35.6 | -170.9 | -58.2 | -19.2 | 0 | 0 | 0 | 112.2 | E388 D389 P470 R471 W494 F497 N500 C501 H504 | E388-W391 PolarHBondContact O-N 3.07Å; E388-W391 VanDerWaalsContact O-N 3.07Å; D389-W391 PolarHBondContact O-N 2.72Å; D389-W391 VanDerWaalsContact O-N 3.13Å; W391-P470 WeakPolarHBondContact O-CA 3.19Å; W391-P470 WeakPolarHBondContact O-CB 3.38Å; W391-R471 HydrophobicContact CB-CB 4.09Å; W391-R471 HydrophobicContact CD2-CB 3.75Å; W391-R471 HydrophobicContact CD2-CG 3.67Å; W391-R471 HydrophobicContact CE3-CB 4.15Å; W391-R471 HydrophobicContact CE3-CG 4.17Å; W391-R471 HydrophobicContact CG-CB 3.71Å; W391-R471 HydrophobicContact CG-CG 3.96Å; W391-R471 HydrophobicContact CH2-CG 4.5Å; W391-R471 HydrophobicContact CZ2-CG 4.03Å; W391-R471 VanDerWaalsContact CZ2-NE 3.35Å; W391-W494 PolarHBondContact O-NE1 3.35Å; W391-F497 HydrophobicContact CB-CB 4.47Å; W391-N500 HydrophobicContact CE3-CB 4.47Å; W391-N500 HydrophobicContact CZ3-CB 3.77Å; W391-C501 HydrophobicContact CB-CB 4.25Å; W391-C501 HydrophobicContact CD2-CB 3.56Å; W391-C501 VanDerWaalsContact CD2-SG 3.51Å; W391-C501 VanDerWaalsContact CE2-SG 3.58Å; W391-C501 HydrophobicContact CE3-CB 3.63Å; W391-C501 HydrophobicContact CG-CB 3.86Å; W391-C501 HydrophobicContact CZ3-CB 4.18Å; W391-H504 HydrophobicContact CH2-CB 3.79Å; W391-H504 AromaticContact CH2-CG 3.97Å; W391-H504 HydrophobicContact CZ2-CB 3.9Å; W391-H504 AromaticContact CZ2-CD2 3.87Å; W391-H504 AromaticContact CZ2-CG 3.73Å |
| 392 | S | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -66.6 | 167.4 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | E388 D389 H390 N488 | E388-S392 VanDerWaalsContact CB-O 3.32Å; E388-S392 WeakPolarHBondContact CB-O 3.44Å; D389-S392 WeakPolarHBondContact O-CB 3.37Å; D389-S392 PolarHBondContact O-N 3.07Å; D389-S392 VanDerWaalsContact O-N 3.08Å; D389-S392 PolarHBondContact O-OG 3.38Å; H390-S392 PolarHBondContact O-N 3.35Å; S392-N488 PolarHBondContact OG-ND2 2.89Å; S392-N488 VanDerWaalsContact OG-ND2 3.16Å | ||
| 393 | Y | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 151.1 | 162.9 | -70.3 | -107.7 | 0 | 0 | 0 | 108.8 | V28 S32 V467 T468 F469 P470 N488 F489 P491 D493 W494 | V28-Y393 HydrophobicContact CG1-CD1 4.06Å; V28-Y393 HydrophobicContact CG1-CE1 3.82Å; S32-Y393 PolarHBondContact OG-OH 2.86Å; Y393-V467 HydrophobicContact CD1-CG1 4.28Å; Y393-T468 WeakPolarHBondContact CA-O 3.01Å; Y393-F469 HydrophobicContact CD1-CD1 4.14Å; Y393-F469 HydrophobicContact CD1-CE1 4.38Å; Y393-F469 AromaticContact CE1-CD1 3.42Å; Y393-F469 HydrophobicContact CE1-CD1 3.42Å; Y393-F469 VanDerWaalsContact CE1-CD1 3.42Å; Y393-F469 AromaticContact CE1-CE1 3.6Å; Y393-F469 HydrophobicContact CE1-CE1 3.6Å; Y393-F469 HydrophobicContact CE1-CG 4.22Å; Y393-P470 HydrophobicContact CD2-CG 3.64Å; Y393-P470 HydrophobicContact CE1-CG 4.5Å; Y393-P470 HydrophobicContact CE2-CG 3.39Å; Y393-P470 HydrophobicContact CG-CG 4.31Å; Y393-N488 WeakPolarHBondContact O-CA 3.38Å; Y393-N488 WeakPolarHBondContact O-CB 3.28Å; Y393-N488 PolarHBondContact O-ND2 3.41Å; Y393-F489 HydrophobicContact CD1-CE2 4.33Å; Y393-F489 HydrophobicContact CD1-CZ 4Å; Y393-F489 HydrophobicContact CG-CE1 4.47Å; Y393-F489 HydrophobicContact CG-CE2 4.14Å; Y393-F489 AromaticContact CG-CZ 4Å; Y393-F489 HydrophobicContact CG-CZ 4Å; Y393-F489 PolarHBondContact N-O 3.08Å; Y393-F489 PolarHBondContact O-N 2.86Å; Y393-P491 HydrophobicContact CD2-CG 3.76Å; Y393-P491 HydrophobicContact CE2-CG 3.37Å; Y393-D493 VanDerWaalsContact CE2-OD2 3.32Å; Y393-D493 WeakPolarHBondContact CE2-OD2 3.25Å; Y393-D493 PolarHBondContact OH-OD2 2.84Å; Y393-W494 HydrophobicContact CD2-CB 4.31Å; Y393-W494 HydrophobicContact CE2-CB 4.24Å |
| 394 | S | 96.7 | Very high | 96.1 | Very high | 5 Ų | 5 | 14.5 Ų | 14.5 | 4% | 0.035 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 154.5 | 159.7 | 74.1 | 0 | 0 | 0 | 0 | 112.2 | E388 V467 T468 V487 | E388-S394 VanDerWaalsContact CD-OG 3.25Å; E388-S394 WeakPolarHBondContact OE1-CB 3.32Å; E388-S394 PolarHBondContact OE1-OG 2.91Å; S394-V467 CarbonylContact O-C 3.5Å; S394-V467 VanDerWaalsContact O-CA 3.31Å; S394-V467 WeakPolarHBondContact O-CA 3.49Å; S394-T468 PolarHBondContact N-O 2.72Å; S394-T468 PolarHBondContact N-OG1 2.83Å; S394-T468 PolarHBondContact O-N 2.96Å; S394-T468 PolarHBondContact OG-OG1 3.47Å; S394-V487 WeakPolarHBondContact CA-O 3.43Å |
| 395 | I | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 128.1 | 173.9 | -178.8 | 166.3 | 0 | 0 | 0 | 109 | W346 L348 F465 V466 V467 A486 V487 F489 | W346-I395 HydrophobicContact CE3-CD1 4.21Å; W346-I395 HydrophobicContact CZ3-CD1 4.07Å; L348-I395 HydrophobicContact CD2-CD1 4.38Å; L348-I395 HydrophobicContact CD2-CG1 4.23Å; L348-I395 HydrophobicContact CD2-CG2 3.66Å; I395-F465 HydrophobicContact CD1-CD1 3.63Å; I395-F465 HydrophobicContact CD1-CE1 4.03Å; I395-F465 HydrophobicContact CD1-CG 4.26Å; I395-F465 HydrophobicContact CG1-CB 4.48Å; I395-F465 HydrophobicContact CG1-CD1 3.63Å; I395-F465 HydrophobicContact CG1-CE1 4.27Å; I395-F465 HydrophobicContact CG1-CG 4.44Å; I395-V466 WeakPolarHBondContact CA-O 3.38Å; I395-V467 HydrophobicContact CB-CG2 4.33Å; I395-V467 HydrophobicContact CD1-CG2 4.16Å; I395-V467 HydrophobicContact CG1-CG2 4.09Å; I395-A486 WeakPolarHBondContact O-CA 3.44Å; I395-A486 WeakPolarHBondContact O-CB 3.45Å; I395-V487 HydrophobicContact CG2-CG1 4Å; I395-V487 PolarHBondContact N-O 3.39Å; I395-V487 PolarHBondContact O-N 3.44Å; I395-V487 VanDerWaalsContact O-N 3.08Å; I395-F489 HydrophobicContact CB-CD1 4.4Å; I395-F489 HydrophobicContact CB-CE1 3.86Å; I395-F489 HydrophobicContact CG2-CD1 3.87Å; I395-F489 HydrophobicContact CG2-CE1 3.84Å |
| 396 | N | 98.1 | Very high | 96.4 | Very high | 7 Ų | 7 | 14.9 Ų | 14.9 | 4% | 0.037 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.8 | -178.3 | -175.5 | -66.7 | 0 | 0 | 0 | 109.9 | W406 Q460 F465 V466 E485 A486 | N396-W406 HydrophobicContact CB-CH2 3.99Å; N396-W406 HydrophobicContact CB-CZ2 3.8Å; N396-Q460 PolarHBondContact O-NE2 3.08Å; N396-Q460 PolarHBondContact OD1-NE2 2.89Å; N396-Q460 PolarHBondContact OD1-OE1 2.96Å; N396-F465 CarbonylContact O-C 3.6Å; N396-F465 WeakPolarHBondContact O-CA 3.49Å; N396-V466 PolarHBondContact N-O 3.49Å; N396-V466 PolarHBondContact O-N 3.49Å; N396-E485 CarbonylContact C-O 3.58Å; N396-E485 WeakPolarHBondContact CA-O 3.47Å; N396-A486 HydrophobicContact CB-CB 3.96Å |
| 397 | Y | 98.4 | Very high | 96.7 | Very high | 10 Ų | 10 | 13.6 Ų | 13.6 | 4% | 0.039 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.4 | 176.5 | -177.1 | -109.3 | 0 | 0 | 0 | 111.4 | W49 P51 F326 H399 G463 F465 A484 E485 | W49-Y397 HydrophobicContact CH2-CE2 4.05Å; W49-Y397 HydrophobicContact CZ3-CD2 4.41Å; W49-Y397 AromaticContact CZ3-CE2 3.56Å; W49-Y397 HydrophobicContact CZ3-CE2 3.56Å; W49-Y397 AromaticContact CZ3-CZ 3.72Å; P51-Y397 HydrophobicContact CG-CE1 4.13Å; P51-Y397 WeakPolarHBondContact CG-OH 3.14Å; F326-Y397 HydrophobicContact CE1-CD1 4.25Å; F326-Y397 HydrophobicContact CE1-CE1 4.28Å; F326-Y397 AromaticContact CE2-CD1 3.95Å; F326-Y397 HydrophobicContact CE2-CD1 3.95Å; F326-Y397 HydrophobicContact CE2-CG 4.42Å; F326-Y397 AromaticContact CZ-CD1 3.48Å; F326-Y397 HydrophobicContact CZ-CD1 3.48Å; F326-Y397 VanDerWaalsContact CZ-CD1 3.48Å; F326-Y397 AromaticContact CZ-CE1 3.95Å; F326-Y397 HydrophobicContact CZ-CE1 3.95Å; F326-Y397 AromaticContact CZ-CG 3.86Å; F326-Y397 HydrophobicContact CZ-CG 3.86Å; Y397-H399 AromaticContact CD1-CD2 3.85Å; Y397-H399 AromaticContact CD1-CE1 3.6Å; Y397-H399 AromaticContact CD1-CG 3.76Å; Y397-H399 AromaticContact CD1-ND1 3.63Å; Y397-H399 AromaticContact CD1-NE2 3.77Å; Y397-H399 HydrophobicContact CE1-CB 4.43Å; Y397-H399 AromaticContact CE1-CE1 3.75Å; Y397-H399 AromaticContact CE1-CG 3.83Å; Y397-H399 AromaticContact CE1-ND1 3.42Å; Y397-H399 WeakPolarHBondContact CE1-ND1 3.28Å; Y397-G463 WeakPolarHBondContact CE2-O 3.44Å; Y397-F465 AromaticContact CD2-CD1 3.76Å; Y397-F465 HydrophobicContact CD2-CD1 3.76Å; Y397-F465 AromaticContact CD2-CD2 3.88Å; Y397-F465 HydrophobicContact CD2-CD2 3.88Å; Y397-F465 AromaticContact CD2-CE1 3.64Å; Y397-F465 HydrophobicContact CD2-CE1 3.64Å; Y397-F465 AromaticContact CD2-CE2 3.73Å; Y397-F465 HydrophobicContact CD2-CE2 3.73Å; Y397-F465 AromaticContact CD2-CG 3.9Å; Y397-F465 HydrophobicContact CD2-CG 3.9Å; Y397-F465 AromaticContact CD2-CZ 3.63Å; Y397-F465 HydrophobicContact CD2-CZ 3.63Å; Y397-F465 HydrophobicContact CE2-CD2 4.33Å; Y397-F465 HydrophobicContact CE2-CE2 4.02Å; Y397-F465 HydrophobicContact CE2-CZ 4.18Å; Y397-F465 HydrophobicContact CG-CD1 4.19Å; Y397-F465 AromaticContact CG-CE1 3.91Å; Y397-F465 HydrophobicContact CG-CE1 3.91Å; Y397-F465 HydrophobicContact CG-CZ 4.18Å; Y397-A484 CarbonylContact O-C 3.6Å; Y397-A484 VanDerWaalsContact O-CA 3.24Å; Y397-A484 WeakPolarHBondContact O-CA 3.06Å; Y397-E485 PolarHBondContact N-O 2.85Å; Y397-E485 PolarHBondContact O-N 3.44Å |
| 398 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 100.1 | 177.8 | -168.4 | 65.2 | 0 | 0 | 0 | 110.5 | Q460 V462 G463 E464 N482 A484 | L398-Q460 HydrophobicContact CB-CG 3.93Å; L398-Q460 HydrophobicContact CD2-CG 4.34Å; L398-Q460 WeakPolarHBondContact CD2-O 3.47Å; L398-V462 HydrophobicContact CD2-CG2 4.43Å; L398-V462 HydrophobicContact CG-CG2 4.48Å; L398-V462 WeakPolarHBondContact O-CA 3.4Å; L398-G463 PolarHBondContact O-N 2.89Å; L398-E464 PolarHBondContact N-O 3.09Å; L398-N482 HydrophobicContact CD1-CB 4.05Å; L398-A484 HydrophobicContact CD1-CB 3.8Å |
| 399 | H | 97.3 | Very high | 97.1 | Very high | 17 Ų | 17 | 11.5 Ų | 11.5 | 8% | 0.079 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -41.7 | -175.7 | -77.3 | -80.5 | 0 | 0 | 0 | 113.9 | F53 F326 Y397 V462 F483 E485 | F53-H399 HydrophobicContact CD2-CB 3.67Å; F53-H399 AromaticContact CD2-CG 3.95Å; F53-H399 HydrophobicContact CE2-CB 3.79Å; F326-H399 AromaticContact CD2-CE1 3.44Å; F326-H399 VanDerWaalsContact CD2-CE1 3.44Å; F326-H399 WeakPolarHBondContact CD2-CE1 3.37Å; F326-H399 AromaticContact CD2-NE2 3.59Å; F326-H399 AromaticContact CE2-CE1 3.49Å; F326-H399 VanDerWaalsContact CE2-CE1 3.49Å; F326-H399 WeakPolarHBondContact CE2-CE1 3.35Å; F326-H399 AromaticContact CE2-NE2 3.52Å; F326-H399 AromaticContact CG-CE1 3.75Å; F326-H399 AromaticContact CZ-CE1 3.86Å; F326-H399 PolarHBondContact N-CE1 3.44Å; Y397-H399 AromaticContact CD1-CD2 3.85Å; Y397-H399 AromaticContact CD1-CE1 3.6Å; Y397-H399 AromaticContact CD1-CG 3.76Å; Y397-H399 AromaticContact CD1-ND1 3.63Å; Y397-H399 AromaticContact CD1-NE2 3.77Å; Y397-H399 HydrophobicContact CE1-CB 4.43Å; Y397-H399 AromaticContact CE1-CE1 3.75Å; Y397-H399 AromaticContact CE1-CG 3.83Å; Y397-H399 AromaticContact CE1-ND1 3.42Å; Y397-H399 WeakPolarHBondContact CE1-ND1 3.28Å; H399-V462 WeakPolarHBondContact O-CG1 3.34Å; H399-F483 HydrophobicContact CB-CD1 4.1Å; H399-F483 AromaticContact CD2-CD1 3.86Å; H399-F483 AromaticContact CD2-CE1 3.96Å; H399-F483 PolarHBondContact N-O 2.7Å; H399-E485 IonicContact CD2-OE2 2.7Å; H399-E485 IonicContact CE1-OE2 2.82Å; H399-E485 IonicContact NE2-OE2 2.68Å; H399-E485 PolarHBondContact NE2-OE2 2.93Å |
| 400 | M | 95.7 | Very high | 97.3 | Very high | 35 Ų | 35 | 9.2 Ų | 9.2 | 17% | 0.172 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 160.1 | -177.2 | 59.4 | 155 | -75.9 | 0 | 0 | 113.2 | F53 Q57 F481 N482 F483 | F53-M400 HydrophobicContact CD1-SD 4.19Å; F53-M400 HydrophobicContact CE1-CG 4.34Å; F53-M400 HydrophobicContact CE1-SD 3.67Å; F53-M400 HydrophobicContact CE2-CG 4.3Å; F53-M400 HydrophobicContact CZ-CG 4.11Å; F53-M400 HydrophobicContact CZ-SD 3.91Å; Q57-M400 PolarHBondContact NE2-SD 3.39Å; Q57-M400 VanDerWaalsContact NE2-SD 3.39Å; M400-F481 HydrophobicContact CE-CD1 4.37Å; M400-F481 HydrophobicContact CE-CE1 3.66Å; M400-F481 HydrophobicContact CE-CZ 4.02Å; M400-N482 CarbonylContact O-C 3.26Å; M400-N482 WeakPolarHBondContact O-CA 3.38Å; M400-N482 WeakPolarHBondContact O-CB 3.27Å; M400-F483 HydrophobicContact CG-CB 3.72Å; M400-F483 PolarHBondContact N-O 2.93Å; M400-F483 PolarHBondContact O-N 2.78Å; M400-F483 HydrophobicContact SD-CB 4.48Å |
| 401 | G | 95.6 | Very high | 97.3 | Very high | 35 Ų | 35 | 9.7 Ų | 9.7 | 36% | 0.361 | 6% | 0.056 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 100.4 | -156.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V462 F481 | G401-V462 WeakPolarHBondContact O-CG2 3.47Å; G401-F481 CarbonylContact C-O 3.43Å; G401-F481 WeakPolarHBondContact CA-O 3.41Å |
| 402 | E | 97.2 | Very high | 97.2 | Very high | 36 Ų | 36 | 13.6 Ų | 13.6 | 17% | 0.168 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -79.2 | 157.3 | 179.9 | -63.4 | -149.7 | -110.8 | 0 | 0 | 112.9 | K278 Q479 G480 F481 N482 | K278-E402 VanDerWaalsContact CD-OE1 3.3Å; K278-E402 WeakPolarHBondContact CD-OE1 3.12Å; K278-E402 IonicContact NZ-OE1 3.4Å; K278-E402 PolarHBondContact NZ-OE1 2.86Å; K278-E402 IonicContact NZ-OE2 2.73Å; K278-E402 PolarHBondContact NZ-OE2 2.94Å; E402-Q479 HydrophobicContact CB-CB 4.48Å; E402-G480 WeakPolarHBondContact OE1-CA 3.38Å; E402-F481 PolarHBondContact N-O 2.75Å; E402-N482 WeakPolarHBondContact O-CB 3.48Å; E402-N482 PolarHBondContact O-ND2 2.83Å |
| 403 | P | 98.1 | Very high | 97.2 | Very high | 14 Ų | 14 | 18.3 Ų | 18.3 | 9% | 0.091 | 10% | 0.097 | C | C | . | . | trans | -60.4 | 162.2 | -173.4 | -26.5 | 37.4 | 0 | 0 | 0 | 115.4 | L291 Q460 M461 Q479 N482 | L291-P403 HydrophobicContact CD2-CB 4.36Å; L291-P403 HydrophobicContact CD2-CG 4.03Å; P403-Q460 CarbonylContact C-O 3.58Å; P403-Q460 WeakPolarHBondContact CA-O 3.47Å; P403-Q460 WeakPolarHBondContact CB-O 3.46Å; P403-M461 HydrophobicContact CB-SD 3.89Å; P403-M461 HydrophobicContact CG-CE 3.69Å; P403-M461 HydrophobicContact CG-SD 3.53Å; P403-M461 VanDerWaalsContact CG-SD 3.53Å; P403-Q479 HydrophobicContact CB-CB 4.47Å; P403-Q479 HydrophobicContact CB-CG 4.24Å; P403-Q479 VanDerWaalsContact O-CB 3.27Å; P403-Q479 WeakPolarHBondContact O-CB 3.49Å; P403-Q479 WeakPolarHBondContact O-CG 3.28Å; P403-Q479 PolarHBondContact O-N 3.47Å; P403-N482 PolarHBondContact O-ND2 3.22Å | ||
| 404 | K | 98.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 3% | 0.03 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118.2 | 172.8 | -171.5 | -174.3 | -45.9 | -68 | 0 | 109 | F383 W406 Q460 N478 | F383-K404 HydrophobicContact CE1-CD 4.08Å; F383-K404 HydrophobicContact CE1-CG 4.21Å; K404-W406 HydrophobicContact CD-CZ2 3.79Å; K404-Q460 HydrophobicContact CB-CB 4.31Å; K404-Q460 PolarHBondContact N-O 2.85Å; K404-Q460 WeakPolarHBondContact O-CB 3.18Å; K404-Q460 PolarHBondContact O-N 3.22Å; K404-N478 WeakPolarHBondContact CG-OD1 3.02Å; K404-N478 PolarHBondContact NZ-OD1 2.92Å |
| 405 | T | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 122.4 | 178.6 | -63.4 | 0 | 0 | 0 | 0 | 109.4 | Y407 D459 G476 F477 Q479 | T405-Y407 HydrophobicContact CG2-CE2 4.38Å; T405-D459 WeakPolarHBondContact CB-OD1 3.23Å; T405-D459 WeakPolarHBondContact CG2-OD1 3.37Å; T405-D459 PolarHBondContact OG1-OD1 3.1Å; T405-G476 CarbonylContact O-C 3.38Å; T405-G476 WeakPolarHBondContact O-CA 3.46Å; T405-F477 HydrophobicContact CG2-CD1 4.29Å; T405-F477 HydrophobicContact CG2-CE1 3.59Å; T405-F477 HydrophobicContact CG2-CZ 4.11Å; T405-F477 PolarHBondContact N-O 2.69Å; T405-F477 PolarHBondContact O-N 2.77Å; T405-Q479 PolarHBondContact OG1-NE2 3.05Å |
| 406 | W | 98.6 | Very high | 96.8 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 4% | 0.038 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 150.5 | 179.2 | -66.1 | 79.1 | 0 | 0 | 0 | 111.2 | I40 F383 N396 K404 R457 T458 V466 T468 H474 A475 | I40-W406 HydrophobicContact CD1-CB 3.84Å; F383-W406 HydrophobicContact CE2-CD2 4.28Å; F383-W406 AromaticContact CE2-CE3 3.62Å; F383-W406 HydrophobicContact CE2-CE3 3.62Å; F383-W406 HydrophobicContact CE2-CH2 4.35Å; F383-W406 AromaticContact CE2-CZ3 3.67Å; F383-W406 HydrophobicContact CE2-CZ3 3.67Å; F383-W406 AromaticContact CZ-CD2 3.7Å; F383-W406 HydrophobicContact CZ-CD2 3.7Å; F383-W406 AromaticContact CZ-CE3 3.52Å; F383-W406 HydrophobicContact CZ-CE3 3.52Å; F383-W406 HydrophobicContact CZ-CG 4.32Å; F383-W406 HydrophobicContact CZ-CH2 4.16Å; F383-W406 HydrophobicContact CZ-CZ2 4.32Å; F383-W406 AromaticContact CZ-CZ3 3.77Å; F383-W406 HydrophobicContact CZ-CZ3 3.77Å; N396-W406 HydrophobicContact CB-CH2 3.99Å; N396-W406 HydrophobicContact CB-CZ2 3.8Å; K404-W406 HydrophobicContact CD-CZ2 3.79Å; W406-R457 CarbonylContact O-C 3.56Å; W406-R457 WeakPolarHBondContact O-CA 3.18Å; W406-R457 WeakPolarHBondContact O-CB 3.26Å; W406-T458 HydrophobicContact CB-CG2 4.07Å; W406-T458 HydrophobicContact CG-CG2 4.45Å; W406-T458 PolarHBondContact N-O 3.36Å; W406-T458 PolarHBondContact O-N 3.14Å; W406-V466 HydrophobicContact CD2-CG1 3.94Å; W406-V466 HydrophobicContact CE3-CG1 4.2Å; W406-V466 HydrophobicContact CG-CG1 4.35Å; W406-V466 HydrophobicContact CZ2-CB 4.26Å; W406-V466 HydrophobicContact CZ2-CG1 4.26Å; W406-V466 HydrophobicContact CZ3-CG1 4.48Å; W406-T468 HydrophobicContact CZ3-CG2 4.15Å; W406-H474 AromaticContact CZ3-CD2 3.8Å; W406-A475 CarbonylContact C-O 3.42Å |
| 407 | Y | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.7 | 164.5 | -55.1 | -72.8 | 0 | 0 | 0 | 109.3 | P8 E295 W299 T405 P445 Y456 R457 H474 A475 F477 | P8-Y407 HydrophobicContact CG-CD1 4.09Å; P8-Y407 HydrophobicContact CG-CE1 4.17Å; E295-Y407 VanDerWaalsContact CG-OH 3.3Å; E295-Y407 WeakPolarHBondContact CG-OH 3.47Å; E295-Y407 WeakPolarHBondContact OE1-CE1 3.32Å; E295-Y407 PolarHBondContact OE1-OH 2.91Å; W299-Y407 HydrophobicContact CZ2-CD2 4.11Å; W299-Y407 AromaticContact CZ2-CE2 3.58Å; W299-Y407 HydrophobicContact CZ2-CE2 3.58Å; W299-Y407 AromaticContact NE1-CE2 3.86Å; W299-Y407 AromaticContact NE1-CZ 3.57Å; W299-Y407 PolarHBondContact NE1-OH 3.32Å; T405-Y407 HydrophobicContact CG2-CE2 4.38Å; Y407-P445 HydrophobicContact CD1-CG 3.71Å; Y407-P445 HydrophobicContact CD2-CG 4.41Å; Y407-P445 HydrophobicContact CE1-CG 3.92Å; Y407-P445 HydrophobicContact CG-CG 3.99Å; Y407-Y456 CarbonylContact C-O 3.56Å; Y407-Y456 VanDerWaalsContact CA-O 3.25Å; Y407-Y456 WeakPolarHBondContact CA-O 3.43Å; Y407-R457 HydrophobicContact CD1-CB 3.75Å; Y407-R457 HydrophobicContact CE1-CB 3.9Å; Y407-H474 WeakPolarHBondContact O-CA 3.48Å; Y407-H474 WeakPolarHBondContact O-CB 3.4Å; Y407-A475 PolarHBondContact N-O 2.7Å; Y407-A475 PolarHBondContact O-N 3.45Å; Y407-F477 HydrophobicContact CE2-CD1 4.33Å; Y407-F477 HydrophobicContact CE2-CE1 4.38Å |
| 408 | G | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 145.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V455 Y456 F473 | G408-V455 WeakPolarHBondContact O-CA 3.39Å; G408-Y456 PolarHBondContact N-O 3.09Å; G408-Y456 PolarHBondContact O-N 3.38Å; G408-F473 CarbonylContact C-O 3.36Å |
| 409 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -116.6 | 133.4 | 173.7 | 175.8 | 0 | 0 | 0 | 0 | 108 | W385 F417 V453 V455 F473 | W385-V409 HydrophobicContact CH2-CG2 4.02Å; W385-V409 HydrophobicContact CZ3-CG2 3.79Å; V409-F417 HydrophobicContact CG1-CB 4.15Å; V409-F417 HydrophobicContact CG2-CD2 3.93Å; V409-F417 HydrophobicContact CG2-CE2 4.49Å; V409-V453 HydrophobicContact CG1-CG1 3.83Å; V409-V453 HydrophobicContact CG2-CG1 4.25Å; V409-V455 HydrophobicContact CG2-CG2 4.12Å; V409-F473 HydrophobicContact CB-CB 4.12Å; V409-F473 HydrophobicContact CG2-CB 4.47Å; V409-F473 PolarHBondContact N-O 2.9Å | ||
| 410 | P | 96.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | trans | -61.5 | 146.8 | 179.5 | -21.6 | 33.8 | 0 | 0 | 0 | 113.2 | N37 N412 Y413 P454 Y456 | N37-P410 WeakPolarHBondContact O-CG 3.42Å; P410-N412 VanDerWaalsContact C-N 3.28Å; P410-N412 VanDerWaalsContact CB-OD1 3.28Å; P410-N412 WeakPolarHBondContact CB-OD1 3.35Å; P410-N412 PolarHBondContact O-N 3.38Å; P410-Y413 HydrophobicContact CB-CD2 4.14Å; P410-Y413 HydrophobicContact CG-CD2 4.33Å; P410-Y413 WeakPolarHBondContact O-CA 3.33Å; P410-Y413 PolarHBondContact O-N 3.47Å; P410-P454 WeakPolarHBondContact CD-O 3.41Å; P410-P454 HydrophobicContact CG-CG 4.17Å; P410-Y456 HydrophobicContact CG-CD2 4.21Å; P410-Y456 HydrophobicContact CG-CE2 3.73Å | ||
| 411 | T | 93.7 | Very high | 95.7 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 6% | 0.055 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -53.9 | -40.5 | -177.9 | -62 | 0 | 0 | 0 | 0 | 113.8 | F36 Y413 A414 P470 R471 F497 | F36-T411 HydrophobicContact CE1-CG2 3.97Å; F36-T411 HydrophobicContact CE2-CG2 3.69Å; F36-T411 VanDerWaalsContact CZ-CB 3.42Å; F36-T411 HydrophobicContact CZ-CG2 3.26Å; T411-Y413 PolarHBondContact O-N 2.95Å; T411-A414 VanDerWaalsContact O-CB 3.31Å; T411-A414 WeakPolarHBondContact O-CB 3.37Å; T411-A414 PolarHBondContact O-N 3.44Å; T411-P470 WeakPolarHBondContact CB-O 3.18Å; T411-P470 WeakPolarHBondContact CG2-O 3.07Å; T411-P470 PolarHBondContact OG1-O 3.46Å; T411-R471 HydrophobicContact CG2-CB 4.25Å; T411-F497 HydrophobicContact CG2-CE1 3.82Å |
| 412 | N | 93.7 | Very high | 95.4 | Very high | 97 Ų | 97 | 30.7 Ų | 30.7 | 52% | 0.519 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -73 | -8.7 | 178.2 | 58.3 | -21.4 | 0 | 0 | 0 | 114.2 | P410 | P410-N412 VanDerWaalsContact C-N 3.28Å; P410-N412 VanDerWaalsContact CB-OD1 3.28Å; P410-N412 WeakPolarHBondContact CB-OD1 3.35Å; P410-N412 PolarHBondContact O-N 3.38Å |
| 413 | Y | 96.6 | Very high | 94.9 | Very high | 99 Ų | 99 | 32.1 Ų | 32.1 | 39% | 0.388 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -105.1 | 8.4 | 172.6 | -74.2 | -93 | 0 | 0 | 0 | 113.1 | P410 T411 D415 A416 F417 P454 | P410-Y413 HydrophobicContact CB-CD2 4.14Å; P410-Y413 HydrophobicContact CG-CD2 4.33Å; P410-Y413 WeakPolarHBondContact O-CA 3.33Å; P410-Y413 PolarHBondContact O-N 3.47Å; T411-Y413 PolarHBondContact O-N 2.95Å; Y413-D415 PolarHBondContact O-N 2.67Å; Y413-A416 HydrophobicContact CD1-CB 4.25Å; Y413-A416 PolarHBondContact O-N 3.36Å; Y413-F417 WeakPolarHBondContact O-CB 3.47Å; Y413-F417 PolarHBondContact O-N 3Å; Y413-P454 HydrophobicContact CD1-CG 3.72Å; Y413-P454 HydrophobicContact CD2-CG 3.59Å; Y413-P454 HydrophobicContact CE1-CG 3.93Å; Y413-P454 HydrophobicContact CE2-CG 3.82Å; Y413-P454 HydrophobicContact CG-CG 3.53Å |
| 414 | A | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.6 | -46.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T411 A416 F417 E418 R471 F473 | T411-A414 VanDerWaalsContact O-CB 3.31Å; T411-A414 WeakPolarHBondContact O-CB 3.37Å; T411-A414 PolarHBondContact O-N 3.44Å; A414-A416 VanDerWaalsContact C-N 3.34Å; A414-A416 PolarHBondContact O-N 3.29Å; A414-F417 WeakPolarHBondContact O-CB 3.25Å; A414-F417 PolarHBondContact O-N 3.02Å; A414-E418 WeakPolarHBondContact O-CG 3.41Å; A414-E418 PolarHBondContact O-N 3.25Å; A414-R471 HydrophobicContact CB-CG 3.86Å; A414-F473 HydrophobicContact CB-CD2 4.09Å; A414-F473 HydrophobicContact CB-CE2 4.13Å |
| 415 | D | 93.3 | Very high | 93.7 | Very high | 95 Ų | 95 | 32.7 Ų | 32.7 | 51% | 0.508 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.5 | -34.3 | 177.8 | -61.4 | -75.5 | 0 | 0 | 0 | 112.7 | Y413 E418 L419 R471 | Y413-D415 PolarHBondContact O-N 2.67Å; D415-E418 PolarHBondContact O-N 3.35Å; D415-L419 WeakPolarHBondContact O-CB 3.37Å; D415-L419 PolarHBondContact O-N 3.42Å; D415-R471 VanDerWaalsContact CG-NH2 3.33Å; D415-R471 IonicContact OD1-CZ 3.27Å; D415-R471 IonicContact OD1-NH1 3.31Å; D415-R471 PolarHBondContact OD1-NH1 2.78Å; D415-R471 IonicContact OD1-NH2 2.76Å; D415-R471 PolarHBondContact OD1-NH2 3.08Å; D415-R471 IonicContact OD2-CZ 2.69Å; D415-R471 IonicContact OD2-NH1 3.67Å; D415-R471 PolarHBondContact OD2-NH1 3.31Å; D415-R471 IonicContact OD2-NH2 2.77Å; D415-R471 PolarHBondContact OD2-NH2 2.81Å |
| 416 | A | 95.6 | Very high | 93 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 34% | 0.339 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.8 | -37.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y413 A414 L419 A420 V453 | Y413-A416 HydrophobicContact CD1-CB 4.25Å; Y413-A416 PolarHBondContact O-N 3.36Å; A414-A416 VanDerWaalsContact C-N 3.34Å; A414-A416 PolarHBondContact O-N 3.29Å; A416-L419 PolarHBondContact O-N 3.07Å; A416-A420 WeakPolarHBondContact O-CB 3.33Å; A416-A420 PolarHBondContact O-N 3.18Å; A416-V453 HydrophobicContact CB-CG2 4.42Å |
| 417 | F | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | 171.7 | 171.1 | -86.7 | 0 | 0 | 0 | 111.9 | W385 V409 Y413 A414 L419 A420 M421 L436 L448 V453 F473 | W385-F417 HydrophobicContact CB-CE1 4.37Å; W385-F417 HydrophobicContact CB-CE2 4.34Å; W385-F417 HydrophobicContact CB-CZ 3.56Å; W385-F417 AromaticContact CD2-CE2 3.76Å; W385-F417 HydrophobicContact CD2-CE2 3.76Å; W385-F417 AromaticContact CD2-CZ 3.9Å; W385-F417 HydrophobicContact CD2-CZ 3.9Å; W385-F417 HydrophobicContact CE3-CE2 4.03Å; W385-F417 HydrophobicContact CE3-CZ 4.26Å; W385-F417 AromaticContact CG-CE2 3.9Å; W385-F417 HydrophobicContact CG-CE2 3.9Å; W385-F417 AromaticContact CG-CZ 3.59Å; W385-F417 HydrophobicContact CG-CZ 3.59Å; V409-F417 HydrophobicContact CG1-CB 4.15Å; V409-F417 HydrophobicContact CG2-CD2 3.93Å; V409-F417 HydrophobicContact CG2-CE2 4.49Å; Y413-F417 WeakPolarHBondContact O-CB 3.47Å; Y413-F417 PolarHBondContact O-N 3Å; A414-F417 WeakPolarHBondContact O-CB 3.25Å; A414-F417 PolarHBondContact O-N 3.02Å; F417-L419 VanDerWaalsContact C-N 3.3Å; F417-L419 PolarHBondContact O-N 3.3Å; F417-A420 PolarHBondContact O-N 3.28Å; F417-M421 HydrophobicContact CD1-CG 4.17Å; F417-M421 HydrophobicContact CD2-CG 4.42Å; F417-M421 HydrophobicContact CE1-CG 3.63Å; F417-M421 HydrophobicContact CE2-CG 3.93Å; F417-M421 HydrophobicContact CE2-SD 4.28Å; F417-M421 HydrophobicContact CZ-CE 4.31Å; F417-M421 HydrophobicContact CZ-CG 3.47Å; F417-M421 VanDerWaalsContact CZ-CG 3.47Å; F417-M421 HydrophobicContact CZ-SD 3.91Å; F417-M421 WeakPolarHBondContact O-CB 3.32Å; F417-M421 WeakPolarHBondContact O-CG 3.32Å; F417-M421 PolarHBondContact O-N 2.92Å; F417-L436 HydrophobicContact CE1-CD1 4.19Å; F417-L436 HydrophobicContact CE1-CD2 3.98Å; F417-L436 HydrophobicContact CZ-CD2 4.45Å; F417-L448 HydrophobicContact CD2-CD1 4.07Å; F417-L448 HydrophobicContact CD2-CD2 3.89Å; F417-L448 HydrophobicContact CE2-CD1 3.64Å; F417-L448 HydrophobicContact CE2-CD2 3.79Å; F417-L448 HydrophobicContact CE2-CG 4.37Å; F417-V453 HydrophobicContact CB-CG1 3.99Å; F417-V453 HydrophobicContact CD2-CG1 4.37Å; F417-F473 HydrophobicContact CB-CD2 4.39Å; F417-F473 HydrophobicContact CD1-CB 4.02Å; F417-F473 AromaticContact CD1-CD1 3.78Å; F417-F473 HydrophobicContact CD1-CD1 3.78Å; F417-F473 AromaticContact CD1-CD2 3.37Å; F417-F473 HydrophobicContact CD1-CD2 3.37Å; F417-F473 HydrophobicContact CD1-CE1 4.03Å; F417-F473 AromaticContact CD1-CE2 3.63Å; F417-F473 HydrophobicContact CD1-CE2 3.63Å; F417-F473 AromaticContact CD1-CG 3.44Å; F417-F473 HydrophobicContact CD1-CG 3.44Å; F417-F473 VanDerWaalsContact CD1-CG 3.44Å; F417-F473 AromaticContact CD1-CZ 3.95Å; F417-F473 HydrophobicContact CD1-CZ 3.95Å; F417-F473 HydrophobicContact CD2-CB 4.5Å; F417-F473 HydrophobicContact CE1-CB 4.09Å; F417-F473 AromaticContact CE1-CD1 3.37Å; F417-F473 HydrophobicContact CE1-CD1 3.37Å; F417-F473 AromaticContact CE1-CD2 3.91Å; F417-F473 HydrophobicContact CE1-CD2 3.91Å; F417-F473 AromaticContact CE1-CE1 3.64Å; F417-F473 HydrophobicContact CE1-CE1 3.64Å; F417-F473 HydrophobicContact CE1-CE2 4.13Å; F417-F473 AromaticContact CE1-CG 3.52Å; F417-F473 HydrophobicContact CE1-CG 3.52Å; F417-F473 HydrophobicContact CE1-CZ 4Å; F417-F473 HydrophobicContact CG-CB 4.26Å; F417-F473 HydrophobicContact CG-CD2 4.04Å; F417-F473 HydrophobicContact CG-CG 4.12Å; F417-F473 HydrophobicContact CZ-CB 4.37Å; F417-F473 HydrophobicContact CZ-CD1 4.1Å; F417-F473 HydrophobicContact CZ-CG 4.24Å |
| 418 | E | 91.9 | Very high | 91 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.4 | -43.8 | 174.5 | -72.3 | -169.9 | -129.7 | 0 | 0 | 111.2 | A414 D415 M421 R422 L436 R471 F473 H504 | A414-E418 WeakPolarHBondContact O-CG 3.41Å; A414-E418 PolarHBondContact O-N 3.25Å; D415-E418 PolarHBondContact O-N 3.35Å; E418-M421 PolarHBondContact O-N 3.08Å; E418-R422 WeakPolarHBondContact O-CB 3.47Å; E418-R422 WeakPolarHBondContact O-CD 3.25Å; E418-R422 WeakPolarHBondContact O-CG 3.41Å; E418-R422 PolarHBondContact O-N 3.47Å; E418-R422 IonicContact OE2-CZ 2.71Å; E418-R422 IonicContact OE2-NH2 3.38Å; E418-R422 PolarHBondContact OE2-NH2 3.47Å; E418-L436 HydrophobicContact CB-CD1 4.4Å; E418-L436 HydrophobicContact CG-CD1 3.8Å; E418-R471 IonicContact OE1-CZ 2.73Å; E418-R471 IonicContact OE1-NH2 2.66Å; E418-R471 PolarHBondContact OE1-NH2 3.39Å; E418-F473 HydrophobicContact CG-CE2 3.92Å; E418-F473 HydrophobicContact CG-CZ 4Å; E418-H504 IonicContact OE1-CE1 2.62Å |
| 419 | L | 92.4 | Very high | 90.2 | Very high | 113 Ų | 113 | 38.3 Ų | 38.3 | 59% | 0.592 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -65.1 | -41.7 | 176.9 | -176.3 | 62.3 | 0 | 0 | 0 | 112.5 | D415 A416 F417 R422 S423 | D415-L419 WeakPolarHBondContact O-CB 3.37Å; D415-L419 PolarHBondContact O-N 3.42Å; A416-L419 PolarHBondContact O-N 3.07Å; F417-L419 VanDerWaalsContact C-N 3.3Å; F417-L419 PolarHBondContact O-N 3.3Å; L419-R422 PolarHBondContact O-N 2.99Å; L419-S423 WeakPolarHBondContact O-CB 3.09Å; L419-S423 PolarHBondContact O-N 3.42Å; L419-S423 PolarHBondContact O-OG 3.24Å |
| 420 | A | 93.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.033 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A416 F417 R422 S423 E424 L448 H451 V453 | A416-A420 WeakPolarHBondContact O-CB 3.33Å; A416-A420 PolarHBondContact O-N 3.18Å; F417-A420 PolarHBondContact O-N 3.28Å; A420-R422 PolarHBondContact O-N 2.83Å; A420-S423 PolarHBondContact O-N 2.81Å; A420-S423 VanDerWaalsContact O-N 3.15Å; A420-E424 PolarHBondContact O-N 3.15Å; A420-L448 HydrophobicContact CB-CD2 4.27Å; A420-H451 HydrophobicContact CB-CB 3.65Å; A420-V453 HydrophobicContact CB-CG2 3.68Å |
| 421 | M | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 174.9 | -72.6 | -71.4 | -77.1 | 0 | 0 | 111.8 | F417 E418 S423 E424 V425 F429 L436 V443 L448 | F417-M421 HydrophobicContact CD1-CG 4.17Å; F417-M421 HydrophobicContact CD2-CG 4.42Å; F417-M421 HydrophobicContact CE1-CG 3.63Å; F417-M421 HydrophobicContact CE2-CG 3.93Å; F417-M421 HydrophobicContact CE2-SD 4.28Å; F417-M421 HydrophobicContact CZ-CE 4.31Å; F417-M421 HydrophobicContact CZ-CG 3.47Å; F417-M421 VanDerWaalsContact CZ-CG 3.47Å; F417-M421 HydrophobicContact CZ-SD 3.91Å; F417-M421 WeakPolarHBondContact O-CB 3.32Å; F417-M421 WeakPolarHBondContact O-CG 3.32Å; F417-M421 PolarHBondContact O-N 2.92Å; E418-M421 PolarHBondContact O-N 3.08Å; M421-S423 VanDerWaalsContact C-N 3.29Å; M421-S423 PolarHBondContact O-N 3.14Å; M421-E424 PolarHBondContact O-N 3.18Å; M421-V425 WeakPolarHBondContact O-CG2 3.43Å; M421-V425 PolarHBondContact O-N 3.17Å; M421-F429 VanDerWaalsContact C-CE2 3.47Å; M421-F429 HydrophobicContact CB-CE2 3.88Å; M421-F429 HydrophobicContact CB-CZ 3.78Å; M421-F429 WeakPolarHBondContact O-CE2 3.14Å; M421-L436 HydrophobicContact CB-CD2 4.39Å; M421-L436 HydrophobicContact CE-CD2 3.53Å; M421-L436 HydrophobicContact CG-CD2 4.16Å; M421-V443 HydrophobicContact CE-CG2 3.99Å; M421-V443 HydrophobicContact SD-CB 3.71Å; M421-V443 HydrophobicContact SD-CG1 4.49Å; M421-V443 HydrophobicContact SD-CG2 3.49Å; M421-V443 WeakPolarHBondContact SD-CG2 3.27Å; M421-L448 HydrophobicContact CG-CD2 4.2Å; M421-L448 HydrophobicContact SD-CD2 4.02Å |
| 422 | R | 88.8 | Confident | 86.3 | Confident | 103 Ų | 103 | 48.2 Ų | 48.2 | 39% | 0.389 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.1 | -30.4 | 174.5 | -69.9 | 167.9 | -162.1 | -153.4 | 11 | 112.6 | E418 L419 A420 P426 F429 | E418-R422 WeakPolarHBondContact O-CB 3.47Å; E418-R422 WeakPolarHBondContact O-CD 3.25Å; E418-R422 WeakPolarHBondContact O-CG 3.41Å; E418-R422 PolarHBondContact O-N 3.47Å; E418-R422 IonicContact OE2-CZ 2.71Å; E418-R422 IonicContact OE2-NH2 3.38Å; E418-R422 PolarHBondContact OE2-NH2 3.47Å; L419-R422 PolarHBondContact O-N 2.99Å; A420-R422 PolarHBondContact O-N 2.83Å; R422-P426 WeakPolarHBondContact O-CA 3.34Å; R422-P426 VanDerWaalsContact O-CB 3.32Å; R422-P426 WeakPolarHBondContact O-CB 3.49Å; R422-P426 WeakPolarHBondContact O-CD 3.23Å; R422-P426 VanDerWaalsContact O-N 3.16Å; R422-F429 HydrophobicContact CB-CD2 4.31Å; R422-F429 HydrophobicContact CB-CG 4.42Å; R422-F429 HydrophobicContact CG-CB 4.19Å; R422-F429 HydrophobicContact CG-CD1 3.69Å; R422-F429 HydrophobicContact CG-CD2 3.91Å; R422-F429 HydrophobicContact CG-CE1 3.94Å; R422-F429 HydrophobicContact CG-CE2 4.16Å; R422-F429 HydrophobicContact CG-CG 3.65Å; R422-F429 HydrophobicContact CG-CZ 4.17Å |
| 423 | S | 88.7 | Confident | 85.3 | Confident | 66 Ų | 66 | 47.7 Ų | 47.7 | 46% | 0.462 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -77.6 | -35 | 177.4 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | L419 A420 M421 | L419-S423 WeakPolarHBondContact O-CB 3.09Å; L419-S423 PolarHBondContact O-N 3.42Å; L419-S423 PolarHBondContact O-OG 3.24Å; A420-S423 PolarHBondContact O-N 2.81Å; A420-S423 VanDerWaalsContact O-N 3.15Å; M421-S423 VanDerWaalsContact C-N 3.29Å; M421-S423 PolarHBondContact O-N 3.14Å |
| 424 | E | 85.7 | Confident | 84.2 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.2 | -38.9 | 178.9 | -84.2 | -73 | -160.4 | 0 | 0 | 113.6 | A420 M421 R447 H451 | A420-E424 PolarHBondContact O-N 3.15Å; M421-E424 PolarHBondContact O-N 3.18Å; E424-R447 VanDerWaalsContact CD-NH2 3.28Å; E424-R447 IonicContact OE1-CZ 3.64Å; E424-R447 IonicContact OE1-NE 3.13Å; E424-R447 PolarHBondContact OE1-NE 3.3Å; E424-R447 IonicContact OE1-NH2 3.56Å; E424-R447 PolarHBondContact OE1-NH2 3.33Å; E424-R447 VanDerWaalsContact OE1-NH2 3.15Å; E424-R447 IonicContact OE2-CZ 2.7Å; E424-R447 IonicContact OE2-NE 2.69Å; E424-R447 IonicContact OE2-NH2 3.79Å; E424-R447 PolarHBondContact OE2-NH2 2.98Å; E424-H451 IonicContact OE1-CE1 3.52Å; E424-H451 PolarHBondContact OE1-CE1 3.25Å; E424-H451 IonicContact OE1-ND1 2.69Å |
| 425 | V | 84.8 | Confident | 83.4 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | trans | -138.3 | 58.1 | -177.5 | -71.4 | 0 | 0 | 0 | 0 | 113 | A74 V78 M421 E427 L428 F429 | A74-V425 HydrophobicContact CB-CB 4.38Å; A74-V425 HydrophobicContact CB-CG1 3.65Å; A74-V425 HydrophobicContact CB-CG2 3.96Å; V78-V425 HydrophobicContact CG2-CB 3.93Å; V78-V425 HydrophobicContact CG2-CG1 3.79Å; M421-V425 WeakPolarHBondContact O-CG2 3.43Å; M421-V425 PolarHBondContact O-N 3.17Å; V425-E427 PolarHBondContact O-N 3.19Å; V425-E427 VanDerWaalsContact O-N 3.08Å; V425-L428 HydrophobicContact CB-CD1 4.14Å; V425-L428 HydrophobicContact CG2-CD1 4.17Å; V425-L428 PolarHBondContact O-N 3.49Å; V425-F429 HydrophobicContact CG2-CD2 4.26Å; V425-F429 HydrophobicContact CG2-CE2 4.03Å | ||
| 426 | P | 83.9 | Confident | 82.7 | Confident | 57 Ų | 57 | 41.6 Ų | 41.6 | 37% | 0.37 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56 | -30.5 | -178.6 | 23.2 | -34 | 0 | 0 | 0 | 112.6 | R422 L428 F429 V430 | R422-P426 WeakPolarHBondContact O-CA 3.34Å; R422-P426 VanDerWaalsContact O-CB 3.32Å; R422-P426 WeakPolarHBondContact O-CB 3.49Å; R422-P426 WeakPolarHBondContact O-CD 3.23Å; R422-P426 VanDerWaalsContact O-N 3.16Å; P426-L428 VanDerWaalsContact C-N 3.25Å; P426-L428 PolarHBondContact O-N 2.98Å; P426-F429 PolarHBondContact O-N 2.98Å; P426-V430 WeakPolarHBondContact O-CG2 3.31Å; P426-V430 PolarHBondContact O-N 3.25Å |
| 427 | E | 77.3 | Confident | 81.6 | Confident | 48 Ų | 48 | 41.3 Ų | 41.3 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -26.6 | 179.5 | -51.5 | 94.4 | 149.8 | 0 | 0 | 113.2 | V78 K114 V425 N431 | V78-E427 HydrophobicContact CG1-CB 3.84Å; V78-E427 HydrophobicContact CG1-CG 3.96Å; V78-E427 HydrophobicContact CG2-CB 4.29Å; K114-E427 IonicContact NZ-OE1 2.92Å; K114-E427 PolarHBondContact NZ-OE1 3.14Å; K114-E427 IonicContact NZ-OE2 2.7Å; V425-E427 PolarHBondContact O-N 3.19Å; V425-E427 VanDerWaalsContact O-N 3.08Å; E427-N431 PolarHBondContact O-ND2 3.05Å |
| 428 | L | 78.2 | Confident | 80.2 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -79.3 | -44.3 | 173 | -73.1 | 170.1 | 0 | 0 | 0 | 111.4 | A74 R77 V78 F256 V425 P426 V430 N431 S432 L435 T441 | A74-L428 HydrophobicContact CB-CD1 4.41Å; R77-L428 HydrophobicContact CB-CD1 4.04Å; R77-L428 HydrophobicContact CB-CD2 4.32Å; V78-L428 HydrophobicContact CG2-CD1 3.97Å; V78-L428 HydrophobicContact CG2-CG 3.77Å; F256-L428 HydrophobicContact CZ-CD2 4.48Å; V425-L428 HydrophobicContact CB-CD1 4.14Å; V425-L428 HydrophobicContact CG2-CD1 4.17Å; V425-L428 PolarHBondContact O-N 3.49Å; P426-L428 VanDerWaalsContact C-N 3.25Å; P426-L428 PolarHBondContact O-N 2.98Å; L428-V430 PolarHBondContact O-N 3.49Å; L428-N431 PolarHBondContact O-N 3.1Å; L428-N431 VanDerWaalsContact O-N 3.08Å; L428-S432 PolarHBondContact O-N 2.89Å; L428-L435 HydrophobicContact CB-CD2 3.63Å; L428-L435 HydrophobicContact CD1-CD2 4.16Å; L428-L435 HydrophobicContact CG-CD2 4.47Å; L428-T441 HydrophobicContact CD1-CG2 4.37Å |
| 429 | F | 79.5 | Confident | 79.4 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.2 | -30.9 | -177.2 | -77.9 | -85.6 | 0 | 0 | 0 | 114 | M421 R422 V425 P426 N431 S432 P433 L435 L436 | M421-F429 VanDerWaalsContact C-CE2 3.47Å; M421-F429 HydrophobicContact CB-CE2 3.88Å; M421-F429 HydrophobicContact CB-CZ 3.78Å; M421-F429 WeakPolarHBondContact O-CE2 3.14Å; R422-F429 HydrophobicContact CB-CD2 4.31Å; R422-F429 HydrophobicContact CB-CG 4.42Å; R422-F429 HydrophobicContact CG-CB 4.19Å; R422-F429 HydrophobicContact CG-CD1 3.69Å; R422-F429 HydrophobicContact CG-CD2 3.91Å; R422-F429 HydrophobicContact CG-CE1 3.94Å; R422-F429 HydrophobicContact CG-CE2 4.16Å; R422-F429 HydrophobicContact CG-CG 3.65Å; R422-F429 HydrophobicContact CG-CZ 4.17Å; V425-F429 HydrophobicContact CG2-CD2 4.26Å; V425-F429 HydrophobicContact CG2-CE2 4.03Å; P426-F429 PolarHBondContact O-N 2.98Å; F429-N431 PolarHBondContact O-N 3.07Å; F429-S432 CarbonylContact O-C 3.6Å; F429-P433 WeakPolarHBondContact O-CA 3.14Å; F429-L435 HydrophobicContact CD1-CB 4.34Å; F429-L435 HydrophobicContact CD2-CD2 4.14Å; F429-L435 HydrophobicContact CE1-CB 4.11Å; F429-L435 HydrophobicContact CE1-CD2 4.41Å; F429-L435 HydrophobicContact CE2-CD2 3.83Å; F429-L435 HydrophobicContact CZ-CB 4.42Å; F429-L435 HydrophobicContact CZ-CD2 3.98Å; F429-L436 HydrophobicContact CE1-CD1 3.99Å; F429-L436 HydrophobicContact CE1-CG 3.83Å; F429-L436 HydrophobicContact CZ-CD1 3.99Å; F429-L436 HydrophobicContact CZ-CD2 4Å; F429-L436 HydrophobicContact CZ-CG 3.74Å |
| 430 | V | 70.4 | Confident | 78.7 | Confident | 118 Ų | 118 | 41.5 Ų | 41.5 | 72% | 0.715 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -28.9 | 171.6 | 169.1 | 0 | 0 | 0 | 0 | 112.1 | P426 L428 | P426-V430 WeakPolarHBondContact O-CG2 3.31Å; P426-V430 PolarHBondContact O-N 3.25Å; L428-V430 PolarHBondContact O-N 3.49Å |
| 431 | N | 67.2 | Low | 78.3 | Confident | 85 Ų | 85 | 41.5 Ų | 41.5 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -23.7 | -177.6 | -69.7 | -80.5 | 0 | 0 | 0 | 113.8 | Y253 E427 L428 F429 | Y253-N431 HydrophobicContact CE1-CB 4.27Å; Y253-N431 HydrophobicContact CE2-CB 3.87Å; Y253-N431 WeakPolarHBondContact OH-CB 3.36Å; Y253-N431 PolarHBondContact OH-ND2 3.14Å; Y253-N431 PolarHBondContact OH-OD1 3.39Å; E427-N431 PolarHBondContact O-ND2 3.05Å; L428-N431 PolarHBondContact O-N 3.1Å; L428-N431 VanDerWaalsContact O-N 3.08Å; F429-N431 PolarHBondContact O-N 3.07Å |
| 432 | S | 70 | Confident | 78.3 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 12% | 0.119 | 23% | 0.226 | C | C | . | . | trans | -141.9 | 92.7 | 170.4 | -139.7 | 0 | 0 | 0 | 0 | 109.1 | L428 F429 D434 L435 H438 | L428-S432 PolarHBondContact O-N 2.89Å; F429-S432 CarbonylContact O-C 3.6Å; S432-D434 WeakPolarHBondContact CB-OD1 3.24Å; S432-D434 PolarHBondContact O-N 3.36Å; S432-D434 VanDerWaalsContact O-N 3.16Å; S432-D434 PolarHBondContact OG-OD1 3.49Å; S432-L435 WeakPolarHBondContact O-CB 3.44Å; S432-L435 PolarHBondContact O-N 2.76Å; S432-H438 PolarHBondContact OG-CE1 3.01Å | ||
| 433 | P | 72.9 | Confident | 78.4 | Confident | 85 Ų | 85 | 37.2 Ų | 37.2 | 55% | 0.552 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -25.1 | 178.8 | -25.6 | 35.8 | 0 | 0 | 0 | 113.2 | F429 | F429-P433 WeakPolarHBondContact O-CA 3.14Š|
| 434 | D | 72.2 | Confident | 78.6 | Confident | 53 Ų | 53 | 35.3 Ų | 35.3 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 7.4 | -178.5 | 65.5 | -30.7 | 0 | 0 | 0 | 114.4 | S432 L436 H437 H438 | S432-D434 WeakPolarHBondContact CB-OD1 3.24Å; S432-D434 PolarHBondContact O-N 3.36Å; S432-D434 VanDerWaalsContact O-N 3.16Å; S432-D434 PolarHBondContact OG-OD1 3.49Å; D434-L436 PolarHBondContact O-N 2.74Å; D434-H437 WeakPolarHBondContact O-CB 3.5Å; D434-H437 PolarHBondContact O-N 3.45Å; D434-H438 PolarHBondContact O-CD2 3.44Å; D434-H438 IonicContact OD1-CE1 3.67Å; D434-H438 IonicContact OD1-NE2 2.77Å; D434-H438 PolarHBondContact OD1-NE2 2.59Å; D434-H438 IonicContact OD2-CD2 3.68Å; D434-H438 IonicContact OD2-CE1 3.14Å; D434-H438 IonicContact OD2-NE2 2.73Å; D434-H438 PolarHBondContact OD2-NE2 3.04Å |
| 435 | L | 78.4 | Confident | 79 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -46.4 | -35.8 | -173.1 | -174.9 | 73.2 | 0 | 0 | 0 | 115 | F256 L428 F429 S432 H437 H438 T441 | F256-L435 HydrophobicContact CE2-CD1 4.35Å; F256-L435 HydrophobicContact CZ-CD1 4.43Å; L428-L435 HydrophobicContact CB-CD2 3.63Å; L428-L435 HydrophobicContact CD1-CD2 4.16Å; L428-L435 HydrophobicContact CG-CD2 4.47Å; F429-L435 HydrophobicContact CD1-CB 4.34Å; F429-L435 HydrophobicContact CD2-CD2 4.14Å; F429-L435 HydrophobicContact CE1-CB 4.11Å; F429-L435 HydrophobicContact CE1-CD2 4.41Å; F429-L435 HydrophobicContact CE2-CD2 3.83Å; F429-L435 HydrophobicContact CZ-CB 4.42Å; F429-L435 HydrophobicContact CZ-CD2 3.98Å; S432-L435 WeakPolarHBondContact O-CB 3.44Å; S432-L435 PolarHBondContact O-N 2.76Å; L435-H437 VanDerWaalsContact C-N 3.27Å; L435-H437 PolarHBondContact O-N 3.27Å; L435-H438 WeakPolarHBondContact O-CB 3.37Å; L435-H438 PolarHBondContact O-N 2.57Å; L435-H438 VanDerWaalsContact O-N 3.13Å; L435-T441 HydrophobicContact CD2-CG2 4.14Å |
| 436 | L | 79.2 | Confident | 79.4 | Confident | 11 Ų | 11 | 34.2 Ų | 34.2 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -70.1 | -23.3 | -178.9 | -66.7 | 173.9 | 0 | 0 | 0 | 113 | F417 E418 M421 F429 D434 H438 F473 | F417-L436 HydrophobicContact CE1-CD1 4.19Å; F417-L436 HydrophobicContact CE1-CD2 3.98Å; F417-L436 HydrophobicContact CZ-CD2 4.45Å; E418-L436 HydrophobicContact CB-CD1 4.4Å; E418-L436 HydrophobicContact CG-CD1 3.8Å; M421-L436 HydrophobicContact CB-CD2 4.39Å; M421-L436 HydrophobicContact CE-CD2 3.53Å; M421-L436 HydrophobicContact CG-CD2 4.16Å; F429-L436 HydrophobicContact CE1-CD1 3.99Å; F429-L436 HydrophobicContact CE1-CG 3.83Å; F429-L436 HydrophobicContact CZ-CD1 3.99Å; F429-L436 HydrophobicContact CZ-CD2 4Å; F429-L436 HydrophobicContact CZ-CG 3.74Å; D434-L436 PolarHBondContact O-N 2.74Å; L436-H438 VanDerWaalsContact C-N 3.29Å; L436-F473 HydrophobicContact CB-CE1 4.1Å; L436-F473 HydrophobicContact CB-CZ 4.45Å; L436-F473 HydrophobicContact CD1-CE1 4.15Å; L436-F473 HydrophobicContact CD1-CZ 3.95Å; L436-F473 HydrophobicContact CG-CE1 4.5Å |
| 437 | H | 71.4 | Confident | 79.8 | Confident | 35 Ų | 35 | 35 Ų | 35 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -82.7 | -4.4 | 172.7 | -55.4 | -57.3 | 0 | 0 | 0 | 113 | D434 L435 L508 | D434-H437 WeakPolarHBondContact O-CB 3.5Å; D434-H437 PolarHBondContact O-N 3.45Å; L435-H437 VanDerWaalsContact C-N 3.27Å; L435-H437 PolarHBondContact O-N 3.27Å; H437-L508 WeakPolarHBondContact NE2-CD1 3.47Å |
| 438 | H | 67.1 | Low | 80.6 | Confident | 45 Ų | 45 | 32.8 Ų | 32.8 | 21% | 0.208 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -87.1 | -8.2 | 178.9 | -62.5 | -172.8 | 0 | 0 | 0 | 113.2 | F256 S432 D434 L435 L436 T440 | F256-H438 HydrophobicContact CB-CB 4.41Å; F256-H438 AromaticContact CD2-CE1 3.84Å; F256-H438 AromaticContact CD2-ND1 3.3Å; F256-H438 VanDerWaalsContact CD2-ND1 3.3Å; F256-H438 WeakPolarHBondContact CD2-ND1 3.35Å; F256-H438 AromaticContact CG-ND1 3.94Å; S432-H438 PolarHBondContact OG-CE1 3.01Å; D434-H438 PolarHBondContact O-CD2 3.44Å; D434-H438 IonicContact OD1-CE1 3.67Å; D434-H438 IonicContact OD1-NE2 2.77Å; D434-H438 PolarHBondContact OD1-NE2 2.59Å; D434-H438 IonicContact OD2-CD2 3.68Å; D434-H438 IonicContact OD2-CE1 3.14Å; D434-H438 IonicContact OD2-NE2 2.73Å; D434-H438 PolarHBondContact OD2-NE2 3.04Å; L435-H438 WeakPolarHBondContact O-CB 3.37Å; L435-H438 PolarHBondContact O-N 2.57Å; L435-H438 VanDerWaalsContact O-N 3.13Å; L436-H438 VanDerWaalsContact C-N 3.29Å; H438-T440 VanDerWaalsContact O-CG2 3.3Å; H438-T440 WeakPolarHBondContact O-CG2 3.44Å; H438-T440 PolarHBondContact O-N 3.05Å |
| 439 | M | 75.8 | Confident | 81.4 | Confident | 82 Ų | 82 | 35.3 Ų | 35.3 | 40% | 0.404 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 52.9 | 26 | 174.7 | -42.4 | -165.8 | -61.5 | 0 | 0 | 115.6 | C384 H386 | C384-M439 WeakPolarHBondContact CB-O 3.23Å; C384-M439 PolarHBondContact SG-O 2.88Å; H386-M439 HydrophobicContact CB-CB 4.4Å; H386-M439 HydrophobicContact CB-CG 3.77Å; H386-M439 HydrophobicContact CB-SD 4.13Å; H386-M439 PolarHBondContact CD2-SD 3.3Å |
| 440 | T | 77.7 | Confident | 82 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | trans | -127 | 3.1 | -174.4 | 55.7 | 0 | 0 | 0 | 0 | 114.9 | R77 F256 F258 C384 H438 | R77-T440 PolarHBondContact NH1-O 2.93Å; R77-T440 VanDerWaalsContact NH1-O 3.16Å; R77-T440 PolarHBondContact NH1-OG1 3.37Å; R77-T440 PolarHBondContact NH2-O 3.38Å; F256-T440 WeakPolarHBondContact CB-OG1 3.33Å; F258-T440 HydrophobicContact CD2-CG2 3.88Å; F258-T440 HydrophobicContact CE2-CG2 3.71Å; F258-T440 HydrophobicContact CG-CG2 4.42Å; F258-T440 HydrophobicContact CZ-CG2 4.11Å; C384-T440 VanDerWaalsContact SG-CA 3.56Å; H438-T440 VanDerWaalsContact O-CG2 3.3Å; H438-T440 WeakPolarHBondContact O-CG2 3.44Å; H438-T440 PolarHBondContact O-N 3.05Å | ||
| 441 | T | 85.3 | Confident | 83.1 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | trans | -120.5 | 127.5 | -176.6 | -59 | 0 | 0 | 0 | 0 | 110.4 | A74 R77 L428 L435 | A74-T441 HydrophobicContact CB-CG2 3.45Å; A74-T441 VanDerWaalsContact CB-CG2 3.45Å; R77-T441 PolarHBondContact NH1-OG1 3.18Å; L428-T441 HydrophobicContact CD1-CG2 4.37Å; L435-T441 HydrophobicContact CD2-CG2 4.14Å | ||
| 442 | M | 90.4 | Very high | 84.4 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -127.8 | 140.1 | -174.7 | -164.9 | 163.1 | 66.3 | 0 | 0 | 111.9 | V72 A74 F298 W299 V302 | V72-M442 HydrophobicContact CB-CE 4.45Å; V72-M442 HydrophobicContact CG1-CB 3.74Å; V72-M442 HydrophobicContact CG1-CE 3.95Å; V72-M442 HydrophobicContact CG1-SD 4.48Å; V72-M442 PolarHBondContact O-N 2.92Å; A74-M442 PolarHBondContact N-O 2.79Å; F298-M442 HydrophobicContact CE1-CE 3.82Å; F298-M442 HydrophobicContact CE1-SD 4.34Å; F298-M442 HydrophobicContact CE2-CE 4.39Å; F298-M442 HydrophobicContact CZ-CE 3.44Å; F298-M442 VanDerWaalsContact CZ-CE 3.44Å; F298-M442 HydrophobicContact CZ-SD 4.14Å; W299-M442 HydrophobicContact CH2-CE 4.07Å; W299-M442 HydrophobicContact CH2-CG 3.68Å; W299-M442 HydrophobicContact CH2-SD 3.72Å; W299-M442 HydrophobicContact CZ3-CE 3.89Å; W299-M442 HydrophobicContact CZ3-CG 3.88Å; W299-M442 HydrophobicContact CZ3-SD 4.11Å; V302-M442 HydrophobicContact CB-CE 4.27Å; V302-M442 HydrophobicContact CG1-CE 3.71Å; V302-M442 HydrophobicContact CG2-CE 3.64Å |
| 443 | V | 90.9 | Very high | 85.7 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | trans | -127.9 | 140 | 173.5 | 173.5 | 0 | 0 | 0 | 0 | 106.6 | A74 W385 M421 R447 L448 | A74-V443 HydrophobicContact CB-CG2 3.69Å; W385-V443 PolarHBondContact NE1-O 2.99Å; M421-V443 HydrophobicContact CE-CG2 3.99Å; M421-V443 HydrophobicContact SD-CB 3.71Å; M421-V443 HydrophobicContact SD-CG1 4.49Å; M421-V443 HydrophobicContact SD-CG2 3.49Å; M421-V443 WeakPolarHBondContact SD-CG2 3.27Å; V443-R447 HydrophobicContact CG1-CB 3.81Å; V443-L448 HydrophobicContact CG1-CD2 4.25Å; V443-L448 HydrophobicContact CG1-CG 4.19Å | ||
| 444 | S | 92.4 | Very high | 86.8 | Confident | 26 Ų | 26 | 31.9 Ų | 31.9 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | trans | -71.2 | 144.8 | -175.3 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | S446 R447 L448 | S444-S446 PolarHBondContact O-N 3.33Å; S444-S446 VanDerWaalsContact O-N 3.15Å; S444-R447 WeakPolarHBondContact O-CB 3.23Å; S444-R447 PolarHBondContact O-N 3.18Å; S444-R447 WeakPolarHBondContact OG-CG 3.35Å; S444-L448 PolarHBondContact O-N 3.48Å | ||
| 445 | P | 94.6 | Very high | 88 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -47.6 | -43.4 | 178.5 | -32.8 | 36.1 | 0 | 0 | 0 | 114.2 | F5 P8 W299 W385 Y407 R447 L448 Q449 V455 | F5-P445 HydrophobicContact CE2-CG 4.4Å; P8-P445 HydrophobicContact CG-CB 3.43Å; P8-P445 VanDerWaalsContact CG-CB 3.43Å; P8-P445 HydrophobicContact CG-CG 4Å; W299-P445 HydrophobicContact CZ2-CG 4.07Å; W385-P445 HydrophobicContact CZ2-CG 4.46Å; Y407-P445 HydrophobicContact CD1-CG 3.71Å; Y407-P445 HydrophobicContact CD2-CG 4.41Å; Y407-P445 HydrophobicContact CE1-CG 3.92Å; Y407-P445 HydrophobicContact CG-CG 3.99Å; P445-R447 PolarHBondContact O-N 3.29Å; P445-L448 WeakPolarHBondContact O-CB 3.43Å; P445-L448 PolarHBondContact O-N 2.8Å; P445-L448 VanDerWaalsContact O-N 3.08Å; P445-Q449 WeakPolarHBondContact O-CG 3.42Å; P445-Q449 PolarHBondContact O-N 2.82Å; P445-V455 HydrophobicContact CB-CB 4.32Å; P445-V455 HydrophobicContact CB-CG1 3.94Å; P445-V455 HydrophobicContact CB-CG2 4.48Å; P445-V455 HydrophobicContact CG-CG1 4.32Å |
| 446 | S | 93.5 | Very high | 89 | Confident | 10 Ų | 10 | 31.8 Ų | 31.8 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.8 | -23.3 | -178.3 | -36.1 | 0 | 0 | 0 | 0 | 113.6 | I6 S444 A450 | I6-S446 PolarHBondContact N-OG 2.87Å; I6-S446 PolarHBondContact O-OG 3.31Å; I6-S446 VanDerWaalsContact O-OG 3.14Å; S444-S446 PolarHBondContact O-N 3.33Å; S444-S446 VanDerWaalsContact O-N 3.15Å; S446-A450 WeakPolarHBondContact O-CB 3.07Å; S446-A450 PolarHBondContact O-N 2.73Å |
| 447 | R | 91.6 | Very high | 89.9 | Confident | 74 Ų | 74 | 32.4 Ų | 32.4 | 28% | 0.279 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -82.1 | -33.6 | 174 | -68.5 | -174.2 | 75.5 | 142.2 | 6.7 | 112.8 | L3 E424 V443 S444 P445 A450 H451 | L3-R447 HydrophobicContact CD1-CG 4.24Å; E424-R447 VanDerWaalsContact CD-NH2 3.28Å; E424-R447 IonicContact OE1-CZ 3.64Å; E424-R447 IonicContact OE1-NE 3.13Å; E424-R447 PolarHBondContact OE1-NE 3.3Å; E424-R447 IonicContact OE1-NH2 3.56Å; E424-R447 PolarHBondContact OE1-NH2 3.33Å; E424-R447 VanDerWaalsContact OE1-NH2 3.15Å; E424-R447 IonicContact OE2-CZ 2.7Å; E424-R447 IonicContact OE2-NE 2.69Å; E424-R447 IonicContact OE2-NH2 3.79Å; E424-R447 PolarHBondContact OE2-NH2 2.98Å; V443-R447 HydrophobicContact CG1-CB 3.81Å; S444-R447 WeakPolarHBondContact O-CB 3.23Å; S444-R447 PolarHBondContact O-N 3.18Å; S444-R447 WeakPolarHBondContact OG-CG 3.35Å; P445-R447 PolarHBondContact O-N 3.29Å; R447-A450 PolarHBondContact O-N 2.87Å; R447-H451 PolarHBondContact O-N 3.28Å; R447-H451 PolarHBondContact O-ND1 2.74Å |
| 448 | L | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.1 | -43.8 | 173 | -61.7 | 165.5 | 0 | 0 | 0 | 110.4 | W385 F417 A420 M421 V443 S444 P445 A450 H451 G452 V453 V455 | W385-L448 HydrophobicContact CH2-CD1 4.32Å; W385-L448 HydrophobicContact CZ2-CD1 3.53Å; F417-L448 HydrophobicContact CD2-CD1 4.07Å; F417-L448 HydrophobicContact CD2-CD2 3.89Å; F417-L448 HydrophobicContact CE2-CD1 3.64Å; F417-L448 HydrophobicContact CE2-CD2 3.79Å; F417-L448 HydrophobicContact CE2-CG 4.37Å; A420-L448 HydrophobicContact CB-CD2 4.27Å; M421-L448 HydrophobicContact CG-CD2 4.2Å; M421-L448 HydrophobicContact SD-CD2 4.02Å; V443-L448 HydrophobicContact CG1-CD2 4.25Å; V443-L448 HydrophobicContact CG1-CG 4.19Å; S444-L448 PolarHBondContact O-N 3.48Å; P445-L448 WeakPolarHBondContact O-CB 3.43Å; P445-L448 PolarHBondContact O-N 2.8Å; P445-L448 VanDerWaalsContact O-N 3.08Å; L448-A450 VanDerWaalsContact C-N 3.29Å; L448-A450 PolarHBondContact O-N 2.95Å; L448-H451 CarbonylContact O-C 3.6Å; L448-H451 WeakPolarHBondContact O-CA 3.03Å; L448-H451 WeakPolarHBondContact O-CB 3.43Å; L448-H451 PolarHBondContact O-N 3.28Å; L448-G452 PolarHBondContact O-N 3.01Å; L448-V453 HydrophobicContact CB-CB 4.21Å; L448-V453 WeakPolarHBondContact O-CB 3.5Å; L448-V453 PolarHBondContact O-N 2.74Å; L448-V453 VanDerWaalsContact O-N 3.07Å; L448-V455 HydrophobicContact CB-CG2 4Å; L448-V455 HydrophobicContact CD1-CG2 4.27Å |
| 449 | Q | 94.6 | Very high | 92.6 | Very high | 59 Ų | 59 | 29.8 Ų | 29.8 | 28% | 0.276 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.7 | -36.8 | 172.7 | -70.2 | 170.2 | -38.6 | 0 | 0 | 112.2 | P445 H451 G452 V453 V455 | P445-Q449 WeakPolarHBondContact O-CG 3.42Å; P445-Q449 PolarHBondContact O-N 2.82Å; Q449-H451 PolarHBondContact O-N 3.16Å; Q449-G452 PolarHBondContact O-N 2.9Å; Q449-V453 WeakPolarHBondContact CA-O 3.44Å; Q449-V455 HydrophobicContact CG-CB 4.28Å; Q449-V455 HydrophobicContact CG-CG2 4.15Å |
| 450 | A | 92.7 | Very high | 93.7 | Very high | 71 Ų | 71 | 25.9 Ų | 25.9 | 59% | 0.587 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -16.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L3 S446 R447 L448 | L3-A450 HydrophobicContact CD1-CB 4.45Å; S446-A450 WeakPolarHBondContact O-CB 3.07Å; S446-A450 PolarHBondContact O-N 2.73Å; R447-A450 PolarHBondContact O-N 2.87Å; L448-A450 VanDerWaalsContact C-N 3.29Å; L448-A450 PolarHBondContact O-N 2.95Å |
| 451 | H | 93.3 | Very high | 94.6 | Very high | 87 Ų | 87 | 29.4 Ų | 29.4 | 40% | 0.403 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 10.4 | 170.2 | -70.3 | 79.4 | 0 | 0 | 0 | 112.8 | A420 E424 R447 L448 Q449 | A420-H451 HydrophobicContact CB-CB 3.65Å; E424-H451 IonicContact OE1-CE1 3.52Å; E424-H451 PolarHBondContact OE1-CE1 3.25Å; E424-H451 IonicContact OE1-ND1 2.69Å; R447-H451 PolarHBondContact O-N 3.28Å; R447-H451 PolarHBondContact O-ND1 2.74Å; L448-H451 CarbonylContact O-C 3.6Å; L448-H451 WeakPolarHBondContact O-CA 3.03Å; L448-H451 WeakPolarHBondContact O-CB 3.43Å; L448-H451 PolarHBondContact O-N 3.28Å; Q449-H451 PolarHBondContact O-N 3.16Å |
| 452 | G | 94.3 | Very high | 95.2 | Very high | 59 Ų | 59 | 32.7 Ų | 32.7 | 61% | 0.608 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 8.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | L448 Q449 P454 | L448-G452 PolarHBondContact O-N 3.01Å; Q449-G452 PolarHBondContact O-N 2.9Å; G452-P454 WeakPolarHBondContact O-CD 3.34Å |
| 453 | V | 96.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | trans | -83.3 | 119.2 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | V409 A416 F417 A420 L448 Q449 V455 | V409-V453 HydrophobicContact CG1-CG1 3.83Å; V409-V453 HydrophobicContact CG2-CG1 4.25Å; A416-V453 HydrophobicContact CB-CG2 4.42Å; F417-V453 HydrophobicContact CB-CG1 3.99Å; F417-V453 HydrophobicContact CD2-CG1 4.37Å; A420-V453 HydrophobicContact CB-CG2 3.68Å; L448-V453 HydrophobicContact CB-CB 4.21Å; L448-V453 WeakPolarHBondContact O-CB 3.5Å; L448-V453 PolarHBondContact O-N 2.74Å; L448-V453 VanDerWaalsContact O-N 3.07Å; Q449-V453 WeakPolarHBondContact CA-O 3.44Å; V453-V455 PolarHBondContact O-N 2.83Å | ||
| 454 | P | 96.7 | Very high | 95.8 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 20% | 0.201 | 20% | 0.198 | C | C | . | . | trans | -68.3 | 131.5 | 174.3 | 27.7 | -31.7 | 0 | 0 | 0 | 110.2 | P410 Y413 G452 Y456 | P410-P454 WeakPolarHBondContact CD-O 3.41Å; P410-P454 HydrophobicContact CG-CG 4.17Å; Y413-P454 HydrophobicContact CD1-CG 3.72Å; Y413-P454 HydrophobicContact CD2-CG 3.59Å; Y413-P454 HydrophobicContact CE1-CG 3.93Å; Y413-P454 HydrophobicContact CE2-CG 3.82Å; Y413-P454 HydrophobicContact CG-CG 3.53Å; G452-P454 WeakPolarHBondContact O-CD 3.34Å; P454-Y456 HydrophobicContact CB-CE2 4.15Å | ||
| 455 | V | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | trans | -127.1 | 135.7 | 174.4 | -175 | 0 | 0 | 0 | 0 | 108 | P8 P9 W385 G408 V409 P445 L448 Q449 V453 | P8-V455 HydrophobicContact CB-CB 4.41Å; P8-V455 HydrophobicContact CB-CG1 4.3Å; P8-V455 VanDerWaalsContact CB-O 3.32Å; P8-V455 WeakPolarHBondContact CB-O 3.41Å; P8-V455 HydrophobicContact CG-CG1 4.15Å; P9-V455 WeakPolarHBondContact CD-O 3.09Å; W385-V455 HydrophobicContact CH2-CG1 3.85Å; W385-V455 HydrophobicContact CZ2-CG1 4.42Å; G408-V455 WeakPolarHBondContact O-CA 3.39Å; V409-V455 HydrophobicContact CG2-CG2 4.12Å; P445-V455 HydrophobicContact CB-CB 4.32Å; P445-V455 HydrophobicContact CB-CG1 3.94Å; P445-V455 HydrophobicContact CB-CG2 4.48Å; P445-V455 HydrophobicContact CG-CG1 4.32Å; L448-V455 HydrophobicContact CB-CG2 4Å; L448-V455 HydrophobicContact CD1-CG2 4.27Å; Q449-V455 HydrophobicContact CG-CB 4.28Å; Q449-V455 HydrophobicContact CG-CG2 4.15Å; V453-V455 PolarHBondContact O-N 2.83Å | ||
| 456 | Y | 98.2 | Very high | 96.3 | Very high | 51 Ų | 51 | 32.4 Ų | 32.4 | 20% | 0.2 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 163.1 | 174 | -59.1 | -84.5 | 0 | 0 | 0 | 110.2 | P9 Y38 Y407 G408 P410 P454 | P9-Y456 HydrophobicContact CB-CD1 4.2Å; P9-Y456 HydrophobicContact CB-CE1 4.47Å; P9-Y456 HydrophobicContact CG-CD1 3.71Å; P9-Y456 HydrophobicContact CG-CE1 3.9Å; P9-Y456 CarbonylContact O-C 3.55Å; P9-Y456 VanDerWaalsContact O-CA 3.28Å; P9-Y456 WeakPolarHBondContact O-CA 3.22Å; Y38-Y456 AromaticContact CD1-CD1 3.55Å; Y38-Y456 HydrophobicContact CD1-CD1 3.55Å; Y38-Y456 HydrophobicContact CD1-CD2 4Å; Y38-Y456 AromaticContact CD1-CE1 3.55Å; Y38-Y456 HydrophobicContact CD1-CE1 3.55Å; Y38-Y456 HydrophobicContact CD1-CE2 4.01Å; Y38-Y456 AromaticContact CD1-CG 3.79Å; Y38-Y456 HydrophobicContact CD1-CG 3.79Å; Y38-Y456 AromaticContact CD1-CZ 3.79Å; Y38-Y456 HydrophobicContact CE1-CD1 4.02Å; Y38-Y456 AromaticContact CE1-CE1 3.68Å; Y38-Y456 HydrophobicContact CE1-CE1 3.68Å; Y407-Y456 CarbonylContact C-O 3.56Å; Y407-Y456 VanDerWaalsContact CA-O 3.25Å; Y407-Y456 WeakPolarHBondContact CA-O 3.43Å; G408-Y456 PolarHBondContact N-O 3.09Å; G408-Y456 PolarHBondContact O-N 3.38Å; P410-Y456 HydrophobicContact CG-CD2 4.21Å; P410-Y456 HydrophobicContact CG-CE2 3.73Å; P454-Y456 HydrophobicContact CB-CE2 4.15Å |
| 457 | R | 97.9 | Very high | 96.5 | Very high | 25 Ų | 25 | 32 Ų | 32 | 9% | 0.094 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 159.2 | 175.4 | 49.4 | 155.8 | -93.1 | 113.3 | 11.2 | 114.3 | P8 P9 P10 A11 E295 W406 Y407 D459 | P8-R457 HydrophobicContact CB-CG 4.06Å; P8-R457 HydrophobicContact CG-CG 4.41Å; P8-R457 WeakPolarHBondContact O-CD 3.08Å; P8-R457 WeakPolarHBondContact O-CG 2.86Å; P9-R457 PolarHBondContact O-N 2.64Å; P10-R457 CarbonylContact C-O 3.26Å; P10-R457 VanDerWaalsContact CA-O 3.27Å; P10-R457 WeakPolarHBondContact CA-O 3.47Å; A11-R457 PolarHBondContact N-O 3.2Å; E295-R457 IonicContact OE1-CZ 2.69Å; E295-R457 IonicContact OE1-NH1 3.99Å; E295-R457 PolarHBondContact OE1-NH1 2.66Å; E295-R457 VanDerWaalsContact OE1-NH1 3.08Å; E295-R457 IonicContact OE2-CZ 3.95Å; E295-R457 IonicContact OE2-NH1 3.86Å; E295-R457 PolarHBondContact OE2-NH1 3.42Å; E295-R457 VanDerWaalsContact OE2-NH1 3.1Å; W406-R457 CarbonylContact O-C 3.56Å; W406-R457 WeakPolarHBondContact O-CA 3.18Å; W406-R457 WeakPolarHBondContact O-CB 3.26Å; Y407-R457 HydrophobicContact CD1-CB 3.75Å; Y407-R457 HydrophobicContact CE1-CB 3.9Å; R457-D459 IonicContact CZ-OD1 3.22Å; R457-D459 IonicContact CZ-OD2 3.56Å; R457-D459 IonicContact NH1-OD1 3.32Å; R457-D459 PolarHBondContact NH1-OD1 3.5Å; R457-D459 IonicContact NH1-OD2 3.64Å; R457-D459 IonicContact NH2-OD1 3.68Å; R457-D459 PolarHBondContact NH2-OD1 3.48Å; R457-D459 IonicContact NH2-OD2 2.69Å; R457-D459 PolarHBondContact NH2-OD2 2.84Å |
| 458 | T | 97.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 142.9 | 166.3 | -166.3 | 0 | 0 | 0 | 0 | 111 | I40 W406 V466 | I40-T458 HydrophobicContact CD1-CG2 4.18Å; W406-T458 HydrophobicContact CB-CG2 4.07Å; W406-T458 HydrophobicContact CG-CG2 4.45Å; W406-T458 PolarHBondContact N-O 3.36Å; W406-T458 PolarHBondContact O-N 3.14Å; T458-V466 HydrophobicContact CG2-CG2 4.21Å |
| 459 | D | 98.1 | Very high | 97 | Very high | 17 Ų | 17 | 28.6 Ų | 28.6 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 117.9 | 167.5 | -56.9 | -39 | 0 | 0 | 0 | 108 | K42 L291 T405 R457 | K42-D459 PolarHBondContact NZ-O 3.19Å; L291-D459 HydrophobicContact CD1-CB 4.41Å; T405-D459 WeakPolarHBondContact CB-OD1 3.23Å; T405-D459 WeakPolarHBondContact CG2-OD1 3.37Å; T405-D459 PolarHBondContact OG1-OD1 3.1Å; R457-D459 IonicContact CZ-OD1 3.22Å; R457-D459 IonicContact CZ-OD2 3.56Å; R457-D459 IonicContact NH1-OD1 3.32Å; R457-D459 PolarHBondContact NH1-OD1 3.5Å; R457-D459 IonicContact NH1-OD2 3.64Å; R457-D459 IonicContact NH2-OD1 3.68Å; R457-D459 PolarHBondContact NH2-OD1 3.48Å; R457-D459 IonicContact NH2-OD2 2.69Å; R457-D459 PolarHBondContact NH2-OD2 2.84Å |
| 460 | Q | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 117.3 | 173.8 | -177 | -173.1 | 18.8 | 0 | 0 | 108.9 | N396 L398 P403 K404 E464 V466 | N396-Q460 PolarHBondContact O-NE2 3.08Å; N396-Q460 PolarHBondContact OD1-NE2 2.89Å; N396-Q460 PolarHBondContact OD1-OE1 2.96Å; L398-Q460 HydrophobicContact CB-CG 3.93Å; L398-Q460 HydrophobicContact CD2-CG 4.34Å; L398-Q460 WeakPolarHBondContact CD2-O 3.47Å; P403-Q460 CarbonylContact C-O 3.58Å; P403-Q460 WeakPolarHBondContact CA-O 3.47Å; P403-Q460 WeakPolarHBondContact CB-O 3.46Å; K404-Q460 HydrophobicContact CB-CB 4.31Å; K404-Q460 PolarHBondContact N-O 2.85Å; K404-Q460 WeakPolarHBondContact O-CB 3.18Å; K404-Q460 PolarHBondContact O-N 3.22Å; Q460-E464 HydrophobicContact CG-CB 4.33Å; Q460-E464 PolarHBondContact NE2-O 2.95Å; Q460-V466 HydrophobicContact CB-CG2 3.86Å; Q460-V466 HydrophobicContact CG-CG2 3.86Å |
| 461 | M | 97.6 | Very high | 97.2 | Very high | 79 Ų | 79 | 23.7 Ų | 23.7 | 39% | 0.389 | 14% | 0.138 | S | C | . | . | P | Polyproline II helix | trans | -89.9 | 166.1 | 174.9 | -48.5 | -59.3 | -71 | 0 | 0 | 110.5 | P403 G463 E464 | P403-M461 HydrophobicContact CB-SD 3.89Å; P403-M461 HydrophobicContact CG-CE 3.69Å; P403-M461 HydrophobicContact CG-SD 3.53Å; P403-M461 VanDerWaalsContact CG-SD 3.53Å; M461-G463 PolarHBondContact O-N 3.06Å; M461-E464 WeakPolarHBondContact CA-OE2 3.41Å; M461-E464 HydrophobicContact CB-CG 4.15Å; M461-E464 VanDerWaalsContact CB-OE2 3.26Å; M461-E464 WeakPolarHBondContact CB-OE2 3.17Å; M461-E464 VanDerWaalsContact CG-OE2 3.29Å; M461-E464 WeakPolarHBondContact CG-OE2 3.16Å; M461-E464 PolarHBondContact N-OE2 2.98Å; M461-E464 WeakPolarHBondContact O-CB 3.27Å; M461-E464 PolarHBondContact O-N 2.75Å; M461-E464 VanDerWaalsContact O-N 3.08Å |
| 462 | V | 97.1 | Very high | 97.4 | Very high | 74 Ų | 74 | 19.6 Ų | 19.6 | 45% | 0.448 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 131.9 | 176.2 | 175 | 0 | 0 | 0 | 0 | 110.5 | L398 H399 G401 E464 | L398-V462 HydrophobicContact CD2-CG2 4.43Å; L398-V462 HydrophobicContact CG-CG2 4.48Å; L398-V462 WeakPolarHBondContact O-CA 3.4Å; H399-V462 WeakPolarHBondContact O-CG1 3.34Å; G401-V462 WeakPolarHBondContact O-CG2 3.47Å; V462-E464 VanDerWaalsContact C-N 3.34Å |
| 463 | G | 96.6 | Very high | 97.5 | Very high | 20 Ų | 20 | 17 Ų | 17 | 21% | 0.206 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -1.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | P45 Y397 L398 M461 | P45-G463 WeakPolarHBondContact CD-O 3.47Å; P45-G463 WeakPolarHBondContact CG-O 3.32Å; Y397-G463 WeakPolarHBondContact CE2-O 3.44Å; L398-G463 PolarHBondContact O-N 2.89Å; M461-G463 PolarHBondContact O-N 3.06Å |
| 464 | E | 98.2 | Very high | 97.6 | Very high | 12 Ų | 12 | 17 Ų | 17 | 6% | 0.056 | 9% | 0.091 | C | C | . | . | trans | -98.1 | 141.5 | 177 | -59.3 | -178.5 | 141.6 | 0 | 0 | 112 | K42 R44 L398 Q460 M461 V462 | K42-E464 HydrophobicContact CD-CB 4.22Å; K42-E464 VanDerWaalsContact CD-OE2 3.24Å; K42-E464 WeakPolarHBondContact CD-OE2 3.39Å; K42-E464 VanDerWaalsContact CE-OE2 3.27Å; K42-E464 WeakPolarHBondContact CE-OE2 3.38Å; K42-E464 HydrophobicContact CG-CB 4.27Å; K42-E464 VanDerWaalsContact NZ-CD 3.28Å; K42-E464 IonicContact NZ-OE1 2.83Å; K42-E464 PolarHBondContact NZ-OE1 3.3Å; K42-E464 VanDerWaalsContact NZ-OE1 3.16Å; K42-E464 IonicContact NZ-OE2 2.73Å; K42-E464 PolarHBondContact NZ-OE2 3.15Å; R44-E464 HydrophobicContact CG-CG 4.13Å; R44-E464 IonicContact CZ-OE1 2.66Å; R44-E464 VanDerWaalsContact CZ-OE1 3.3Å; R44-E464 IonicContact NE-OE1 2.84Å; R44-E464 PolarHBondContact NE-OE1 3.49Å; R44-E464 IonicContact NH2-OE1 2.72Å; R44-E464 PolarHBondContact NH2-OE1 3.08Å; L398-E464 PolarHBondContact N-O 3.09Å; Q460-E464 HydrophobicContact CG-CB 4.33Å; Q460-E464 PolarHBondContact NE2-O 2.95Å; M461-E464 WeakPolarHBondContact CA-OE2 3.41Å; M461-E464 HydrophobicContact CB-CG 4.15Å; M461-E464 VanDerWaalsContact CB-OE2 3.26Å; M461-E464 WeakPolarHBondContact CB-OE2 3.17Å; M461-E464 VanDerWaalsContact CG-OE2 3.29Å; M461-E464 WeakPolarHBondContact CG-OE2 3.16Å; M461-E464 PolarHBondContact N-OE2 2.98Å; M461-E464 WeakPolarHBondContact O-CB 3.27Å; M461-E464 PolarHBondContact O-N 2.75Å; M461-E464 VanDerWaalsContact O-N 3.08Å; V462-E464 VanDerWaalsContact C-N 3.34Å | ||
| 465 | F | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 146.3 | 170.4 | -71 | -87.5 | 0 | 0 | 0 | 111 | F21 K42 I43 P45 W49 W346 L348 I395 N396 Y397 | F21-F465 HydrophobicContact CZ-CE2 4.19Å; K42-F465 CarbonylContact C-O 3.46Å; K42-F465 WeakPolarHBondContact CA-O 3.42Å; K42-F465 VanDerWaalsContact CG-O 3.28Å; K42-F465 WeakPolarHBondContact CG-O 3.31Å; I43-F465 HydrophobicContact CB-CB 4.21Å; I43-F465 PolarHBondContact N-O 3.43Å; I43-F465 PolarHBondContact O-N 3.28Å; P45-F465 HydrophobicContact CG-CD2 3.75Å; P45-F465 HydrophobicContact CG-CE2 3.72Å; W49-F465 AromaticContact CH2-CE2 3.64Å; W49-F465 HydrophobicContact CH2-CE2 3.64Å; W49-F465 AromaticContact CH2-CZ 3.49Å; W49-F465 HydrophobicContact CH2-CZ 3.49Å; W49-F465 VanDerWaalsContact CH2-CZ 3.49Å; W49-F465 HydrophobicContact CZ2-CE2 4.45Å; W49-F465 HydrophobicContact CZ2-CZ 4.24Å; W49-F465 AromaticContact CZ3-CE2 3.69Å; W49-F465 HydrophobicContact CZ3-CE2 3.69Å; W49-F465 HydrophobicContact CZ3-CZ 4.02Å; W346-F465 HydrophobicContact CB-CZ 4.09Å; W346-F465 HydrophobicContact CE3-CD2 4.1Å; W346-F465 HydrophobicContact CE3-CE1 4.3Å; W346-F465 AromaticContact CE3-CE2 3.78Å; W346-F465 HydrophobicContact CE3-CE2 3.78Å; W346-F465 HydrophobicContact CE3-CG 4.5Å; W346-F465 AromaticContact CE3-CZ 3.88Å; W346-F465 HydrophobicContact CE3-CZ 3.88Å; W346-F465 HydrophobicContact CZ3-CD2 4.32Å; W346-F465 HydrophobicContact CZ3-CE2 4.44Å; L348-F465 HydrophobicContact CD2-CE1 4.03Å; I395-F465 HydrophobicContact CD1-CD1 3.63Å; I395-F465 HydrophobicContact CD1-CE1 4.03Å; I395-F465 HydrophobicContact CD1-CG 4.26Å; I395-F465 HydrophobicContact CG1-CB 4.48Å; I395-F465 HydrophobicContact CG1-CD1 3.63Å; I395-F465 HydrophobicContact CG1-CE1 4.27Å; I395-F465 HydrophobicContact CG1-CG 4.44Å; N396-F465 CarbonylContact O-C 3.6Å; N396-F465 WeakPolarHBondContact O-CA 3.49Å; Y397-F465 AromaticContact CD2-CD1 3.76Å; Y397-F465 HydrophobicContact CD2-CD1 3.76Å; Y397-F465 AromaticContact CD2-CD2 3.88Å; Y397-F465 HydrophobicContact CD2-CD2 3.88Å; Y397-F465 AromaticContact CD2-CE1 3.64Å; Y397-F465 HydrophobicContact CD2-CE1 3.64Å; Y397-F465 AromaticContact CD2-CE2 3.73Å; Y397-F465 HydrophobicContact CD2-CE2 3.73Å; Y397-F465 AromaticContact CD2-CG 3.9Å; Y397-F465 HydrophobicContact CD2-CG 3.9Å; Y397-F465 AromaticContact CD2-CZ 3.63Å; Y397-F465 HydrophobicContact CD2-CZ 3.63Å; Y397-F465 HydrophobicContact CE2-CD2 4.33Å; Y397-F465 HydrophobicContact CE2-CE2 4.02Å; Y397-F465 HydrophobicContact CE2-CZ 4.18Å; Y397-F465 HydrophobicContact CG-CD1 4.19Å; Y397-F465 AromaticContact CG-CE1 3.91Å; Y397-F465 HydrophobicContact CG-CE1 3.91Å; Y397-F465 HydrophobicContact CG-CZ 4.18Å |
| 466 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.3 | 163.2 | 171.5 | 0 | 0 | 0 | 0 | 108.4 | C41 K42 I395 N396 W406 T458 Q460 | C41-V466 WeakPolarHBondContact O-CA 3.33Å; K42-V466 HydrophobicContact CD-CG2 4.49Å; K42-V466 HydrophobicContact CG-CG2 4.12Å; I395-V466 WeakPolarHBondContact CA-O 3.38Å; N396-V466 PolarHBondContact N-O 3.49Å; N396-V466 PolarHBondContact O-N 3.49Å; W406-V466 HydrophobicContact CD2-CG1 3.94Å; W406-V466 HydrophobicContact CE3-CG1 4.2Å; W406-V466 HydrophobicContact CG-CG1 4.35Å; W406-V466 HydrophobicContact CZ2-CB 4.26Å; W406-V466 HydrophobicContact CZ2-CG1 4.26Å; W406-V466 HydrophobicContact CZ3-CG1 4.48Å; T458-V466 HydrophobicContact CG2-CG2 4.21Å; Q460-V466 HydrophobicContact CB-CG2 3.86Å; Q460-V466 HydrophobicContact CG-CG2 3.86Å |
| 467 | V | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.7 | 176.4 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | V28 I40 C41 I43 Y393 S394 I395 F469 F489 | V28-V467 HydrophobicContact CG1-CG1 4.2Å; V28-V467 HydrophobicContact CG2-CG1 4.46Å; V28-V467 HydrophobicContact CG2-CG2 4.22Å; I40-V467 VanDerWaalsContact CA-O 3.3Å; I40-V467 WeakPolarHBondContact CA-O 3.24Å; C41-V467 PolarHBondContact N-O 2.88Å; C41-V467 PolarHBondContact O-N 3.07Å; I43-V467 HydrophobicContact CD1-CG2 3.84Å; Y393-V467 HydrophobicContact CD1-CG1 4.28Å; S394-V467 CarbonylContact O-C 3.5Å; S394-V467 VanDerWaalsContact O-CA 3.31Å; S394-V467 WeakPolarHBondContact O-CA 3.49Å; I395-V467 HydrophobicContact CB-CG2 4.33Å; I395-V467 HydrophobicContact CD1-CG2 4.16Å; I395-V467 HydrophobicContact CG1-CG2 4.09Å; V467-F469 HydrophobicContact CB-CE2 4.48Å; V467-F469 HydrophobicContact CG1-CE2 4.05Å; V467-F469 HydrophobicContact CG1-CZ 4.25Å; V467-F489 HydrophobicContact CG1-CZ 4.33Å |
| 468 | T | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 142.8 | 172.2 | 74.7 | 0 | 0 | 0 | 0 | 109.5 | I40 Y393 S394 W406 | I40-T468 HydrophobicContact CG2-CG2 4.1Å; Y393-T468 WeakPolarHBondContact CA-O 3.01Å; S394-T468 PolarHBondContact N-O 2.72Å; S394-T468 PolarHBondContact N-OG1 2.83Å; S394-T468 PolarHBondContact O-N 2.96Å; S394-T468 PolarHBondContact OG-OG1 3.47Å; W406-T468 HydrophobicContact CZ3-CG2 4.15Å |
| 469 | F | 97.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 12.1 Ų | 12.1 | 1% | 0.009 | 7% | 0.068 | C | C | . | . | trans | -100.2 | 159.9 | -175.2 | -74 | -96.9 | 0 | 0 | 0 | 111.9 | V28 S32 A35 F36 G39 C41 Y393 V467 R471 A472 | V28-F469 HydrophobicContact CG1-CE1 4.47Å; S32-F469 WeakPolarHBondContact OG-CE1 3.27Å; A35-F469 HydrophobicContact CB-CE1 4.1Å; A35-F469 HydrophobicContact CB-CE2 3.56Å; A35-F469 HydrophobicContact CB-CZ 3.33Å; F36-F469 HydrophobicContact CB-CD1 4.35Å; F36-F469 HydrophobicContact CD2-CB 4.34Å; F36-F469 HydrophobicContact CD2-CD1 4.23Å; G39-F469 WeakPolarHBondContact O-CD2 3.18Å; G39-F469 PolarHBondContact O-N 3.42Å; C41-F469 HydrophobicContact CB-CE2 4.4Å; Y393-F469 HydrophobicContact CD1-CD1 4.14Å; Y393-F469 HydrophobicContact CD1-CE1 4.38Å; Y393-F469 AromaticContact CE1-CD1 3.42Å; Y393-F469 HydrophobicContact CE1-CD1 3.42Å; Y393-F469 VanDerWaalsContact CE1-CD1 3.42Å; Y393-F469 AromaticContact CE1-CE1 3.6Å; Y393-F469 HydrophobicContact CE1-CE1 3.6Å; Y393-F469 HydrophobicContact CE1-CG 4.22Å; V467-F469 HydrophobicContact CB-CE2 4.48Å; V467-F469 HydrophobicContact CG1-CE2 4.05Å; V467-F469 HydrophobicContact CG1-CZ 4.25Å; F469-R471 PolarHBondContact O-N 2.84Å; F469-A472 HydrophobicContact CB-CB 4.29Å; F469-A472 WeakPolarHBondContact O-CB 3.23Å; F469-A472 PolarHBondContact O-N 2.75Å | ||
| 470 | P | 96.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 127.7 | -179.2 | -33 | 38.3 | 0 | 0 | 0 | 113.4 | W391 Y393 T411 A472 F497 | W391-P470 WeakPolarHBondContact O-CA 3.19Å; W391-P470 WeakPolarHBondContact O-CB 3.38Å; Y393-P470 HydrophobicContact CD2-CG 3.64Å; Y393-P470 HydrophobicContact CE1-CG 4.5Å; Y393-P470 HydrophobicContact CE2-CG 3.39Å; Y393-P470 HydrophobicContact CG-CG 4.31Å; T411-P470 WeakPolarHBondContact CB-O 3.18Å; T411-P470 WeakPolarHBondContact CG2-O 3.07Å; T411-P470 PolarHBondContact OG1-O 3.46Å; P470-A472 PolarHBondContact O-N 3.4Å; P470-F497 HydrophobicContact CB-CB 3.92Å; P470-F497 HydrophobicContact CB-CD1 3.72Å; P470-F497 HydrophobicContact CB-CD2 3.8Å; P470-F497 HydrophobicContact CB-CE1 4.18Å; P470-F497 HydrophobicContact CB-CE2 4.25Å; P470-F497 HydrophobicContact CB-CG 3.52Å; P470-F497 HydrophobicContact CB-CZ 4.42Å; P470-F497 HydrophobicContact CG-CD2 4.12Å; P470-F497 HydrophobicContact CG-CE2 4.47Å; P470-F497 HydrophobicContact CG-CG 4.31Å |
| 471 | R | 95.7 | Very high | 97.4 | Very high | 28 Ų | 28 | 12.4 Ų | 12.4 | 11% | 0.106 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 12.2 | -177.4 | -158.2 | -176.2 | -179.3 | -149.8 | -4.5 | 114.9 | T387 W391 T411 A414 D415 E418 F469 F473 | T387-R471 HydrophobicContact CG2-CG 4.44Å; W391-R471 HydrophobicContact CB-CB 4.09Å; W391-R471 HydrophobicContact CD2-CB 3.75Å; W391-R471 HydrophobicContact CD2-CG 3.67Å; W391-R471 HydrophobicContact CE3-CB 4.15Å; W391-R471 HydrophobicContact CE3-CG 4.17Å; W391-R471 HydrophobicContact CG-CB 3.71Å; W391-R471 HydrophobicContact CG-CG 3.96Å; W391-R471 HydrophobicContact CH2-CG 4.5Å; W391-R471 HydrophobicContact CZ2-CG 4.03Å; W391-R471 VanDerWaalsContact CZ2-NE 3.35Å; T411-R471 HydrophobicContact CG2-CB 4.25Å; A414-R471 HydrophobicContact CB-CG 3.86Å; D415-R471 VanDerWaalsContact CG-NH2 3.33Å; D415-R471 IonicContact OD1-CZ 3.27Å; D415-R471 IonicContact OD1-NH1 3.31Å; D415-R471 PolarHBondContact OD1-NH1 2.78Å; D415-R471 IonicContact OD1-NH2 2.76Å; D415-R471 PolarHBondContact OD1-NH2 3.08Å; D415-R471 IonicContact OD2-CZ 2.69Å; D415-R471 IonicContact OD2-NH1 3.67Å; D415-R471 PolarHBondContact OD2-NH1 3.31Å; D415-R471 IonicContact OD2-NH2 2.77Å; D415-R471 PolarHBondContact OD2-NH2 2.81Å; E418-R471 IonicContact OE1-CZ 2.73Å; E418-R471 IonicContact OE1-NH2 2.66Å; E418-R471 PolarHBondContact OE1-NH2 3.39Å; F469-R471 PolarHBondContact O-N 2.84Å; R471-F473 PolarHBondContact O-N 2.8Å |
| 472 | A | 96.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.008 | 5% | 0.05 | C | C | . | . | trans | -72.1 | 115.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G39 F469 P470 H474 | G39-A472 VanDerWaalsContact CA-CB 3.49Å; G39-A472 WeakPolarHBondContact O-CB 3.21Å; F469-A472 HydrophobicContact CB-CB 4.29Å; F469-A472 WeakPolarHBondContact O-CB 3.23Å; F469-A472 PolarHBondContact O-N 2.75Å; P470-A472 PolarHBondContact O-N 3.4Å; A472-H474 PolarHBondContact O-N 2.85Å; A472-H474 PolarHBondContact O-ND1 3.19Å | ||
| 473 | F | 97.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 5.1 Ų | 5.1 | 2% | 0.018 | 3% | 0.028 | C | C | . | . | trans | -69.8 | 129 | 175 | -85.7 | -79.3 | 0 | 0 | 0 | 110.1 | W385 H386 T387 G408 V409 A414 F417 E418 L436 R471 | W385-F473 HydrophobicContact CE3-CB 4.27Å; H386-F473 WeakPolarHBondContact O-CA 3.44Å; T387-F473 HydrophobicContact CG2-CD1 3.76Å; T387-F473 HydrophobicContact CG2-CD2 3.87Å; T387-F473 HydrophobicContact CG2-CE1 3.79Å; T387-F473 HydrophobicContact CG2-CE2 3.91Å; T387-F473 HydrophobicContact CG2-CG 3.81Å; T387-F473 HydrophobicContact CG2-CZ 3.87Å; G408-F473 CarbonylContact C-O 3.36Å; V409-F473 HydrophobicContact CB-CB 4.12Å; V409-F473 HydrophobicContact CG2-CB 4.47Å; V409-F473 PolarHBondContact N-O 2.9Å; A414-F473 HydrophobicContact CB-CD2 4.09Å; A414-F473 HydrophobicContact CB-CE2 4.13Å; F417-F473 HydrophobicContact CB-CD2 4.39Å; F417-F473 HydrophobicContact CD1-CB 4.02Å; F417-F473 AromaticContact CD1-CD1 3.78Å; F417-F473 HydrophobicContact CD1-CD1 3.78Å; F417-F473 AromaticContact CD1-CD2 3.37Å; F417-F473 HydrophobicContact CD1-CD2 3.37Å; F417-F473 HydrophobicContact CD1-CE1 4.03Å; F417-F473 AromaticContact CD1-CE2 3.63Å; F417-F473 HydrophobicContact CD1-CE2 3.63Å; F417-F473 AromaticContact CD1-CG 3.44Å; F417-F473 HydrophobicContact CD1-CG 3.44Å; F417-F473 VanDerWaalsContact CD1-CG 3.44Å; F417-F473 AromaticContact CD1-CZ 3.95Å; F417-F473 HydrophobicContact CD1-CZ 3.95Å; F417-F473 HydrophobicContact CD2-CB 4.5Å; F417-F473 HydrophobicContact CE1-CB 4.09Å; F417-F473 AromaticContact CE1-CD1 3.37Å; F417-F473 HydrophobicContact CE1-CD1 3.37Å; F417-F473 AromaticContact CE1-CD2 3.91Å; F417-F473 HydrophobicContact CE1-CD2 3.91Å; F417-F473 AromaticContact CE1-CE1 3.64Å; F417-F473 HydrophobicContact CE1-CE1 3.64Å; F417-F473 HydrophobicContact CE1-CE2 4.13Å; F417-F473 AromaticContact CE1-CG 3.52Å; F417-F473 HydrophobicContact CE1-CG 3.52Å; F417-F473 HydrophobicContact CE1-CZ 4Å; F417-F473 HydrophobicContact CG-CB 4.26Å; F417-F473 HydrophobicContact CG-CD2 4.04Å; F417-F473 HydrophobicContact CG-CG 4.12Å; F417-F473 HydrophobicContact CZ-CB 4.37Å; F417-F473 HydrophobicContact CZ-CD1 4.1Å; F417-F473 HydrophobicContact CZ-CG 4.24Å; E418-F473 HydrophobicContact CG-CE2 3.92Å; E418-F473 HydrophobicContact CG-CZ 4Å; L436-F473 HydrophobicContact CB-CE1 4.1Å; L436-F473 HydrophobicContact CB-CZ 4.45Å; L436-F473 HydrophobicContact CD1-CE1 4.15Å; L436-F473 HydrophobicContact CD1-CZ 3.95Å; L436-F473 HydrophobicContact CG-CE1 4.5Å; R471-F473 PolarHBondContact O-N 2.8Å | ||
| 474 | H | 97.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 4.1 Ų | 4.1 | 1% | 0.014 | 2% | 0.019 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 152.9 | -178.1 | 62.1 | -88.1 | 0 | 0 | 0 | 112.8 | I40 C384 W385 H386 E388 W406 Y407 A472 | I40-H474 HydrophobicContact CG2-CB 4.15Å; C384-H474 VanDerWaalsContact O-O 3.09Å; W385-H474 WeakPolarHBondContact CA-O 3.4Å; H386-H474 AromaticContact CE1-CD2 3.56Å; H386-H474 AromaticContact CE1-NE2 3.22Å; H386-H474 PolarHBondContact CE1-NE2 3.45Å; H386-H474 PolarHBondContact N-O 3.26Å; H386-H474 VanDerWaalsContact N-O 3.08Å; H386-H474 AromaticContact ND1-NE2 3.9Å; H386-H474 PolarHBondContact ND1-O 3.41Å; H386-H474 AromaticContact NE2-NE2 3.45Å; H386-H474 PolarHBondContact NE2-NE2 3.11Å; H386-H474 PolarHBondContact O-N 2.7Å; H386-H474 PolarHBondContact O-ND1 3Å; E388-H474 IonicContact OE1-CE1 1.84Å; E388-H474 PolarHBondContact OE1-CE1 3.17Å; E388-H474 IonicContact OE1-NE2 3.79Å; W406-H474 AromaticContact CZ3-CD2 3.8Å; Y407-H474 WeakPolarHBondContact O-CA 3.48Å; Y407-H474 WeakPolarHBondContact O-CB 3.4Å; A472-H474 PolarHBondContact O-N 2.85Å; A472-H474 PolarHBondContact O-ND1 3.19Å |
| 475 | A | 97.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.016 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 173.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | F383 W385 W406 Y407 | F383-A475 WeakPolarHBondContact CE2-O 3.43Å; F383-A475 WeakPolarHBondContact O-CA 3.41Å; W385-A475 HydrophobicContact CD2-CB 3.5Å; W385-A475 VanDerWaalsContact CD2-CB 3.5Å; W385-A475 HydrophobicContact CE3-CB 3.66Å; W385-A475 HydrophobicContact CG-CB 3.91Å; W385-A475 HydrophobicContact CH2-CB 4.37Å; W385-A475 HydrophobicContact CZ2-CB 4.22Å; W385-A475 HydrophobicContact CZ3-CB 4.1Å; W406-A475 CarbonylContact C-O 3.42Å; Y407-A475 PolarHBondContact N-O 2.7Å; Y407-A475 PolarHBondContact O-N 3.45Å |
| 476 | G | 96.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 4 Ų | 4 | 1% | 0.01 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | -177.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C382 F383 T405 | C382-G476 CarbonylContact C-O 3.55Å; C382-G476 VanDerWaalsContact CA-O 3.23Å; C382-G476 WeakPolarHBondContact CA-O 3.41Å; C382-G476 VanDerWaalsContact CB-O 3.29Å; C382-G476 WeakPolarHBondContact CB-O 3.24Å; F383-G476 WeakPolarHBondContact CD1-O 3.14Å; F383-G476 VanDerWaalsContact CE1-C 3.48Å; F383-G476 VanDerWaalsContact CE2-N 3.35Å; F383-G476 VanDerWaalsContact CZ-CA 3.46Å; F383-G476 PolarHBondContact N-O 3.36Å; F383-G476 PolarHBondContact O-N 3.49Å; T405-G476 CarbonylContact O-C 3.38Å; T405-G476 WeakPolarHBondContact O-CA 3.46Å |
| 477 | F | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 163.4 | 178.6 | 73.3 | -80 | 0 | 0 | 0 | 112.5 | E295 F298 S381 C382 T405 Y407 Q479 | E295-F477 HydrophobicContact CB-CE1 4.4Å; E295-F477 HydrophobicContact CB-CZ 3.89Å; E295-F477 HydrophobicContact CG-CE1 4.07Å; E295-F477 HydrophobicContact CG-CZ 4.07Å; F298-F477 HydrophobicContact CB-CD2 4.42Å; F298-F477 HydrophobicContact CB-CE2 4.32Å; F298-F477 HydrophobicContact CB-CZ 4.41Å; F298-F477 HydrophobicContact CD1-CB 4.46Å; F298-F477 AromaticContact CD1-CD1 3.58Å; F298-F477 HydrophobicContact CD1-CD1 3.58Å; F298-F477 AromaticContact CD1-CE1 3.97Å; F298-F477 HydrophobicContact CD1-CE1 3.97Å; F298-F477 AromaticContact CD1-CG 3.94Å; F298-F477 HydrophobicContact CD1-CG 3.94Å; F298-F477 HydrophobicContact CD2-CB 4.17Å; F298-F477 HydrophobicContact CD2-CD2 4.25Å; F298-F477 HydrophobicContact CD2-CG 4.04Å; F298-F477 HydrophobicContact CE1-CB 4.09Å; F298-F477 AromaticContact CE1-CD1 3.7Å; F298-F477 HydrophobicContact CE1-CD1 3.7Å; F298-F477 HydrophobicContact CE1-CE1 4.47Å; F298-F477 HydrophobicContact CE1-CG 4.01Å; F298-F477 HydrophobicContact CE2-CB 3.77Å; F298-F477 HydrophobicContact CE2-CG 4.12Å; F298-F477 HydrophobicContact CG-CB 4.48Å; F298-F477 HydrophobicContact CG-CD1 4.01Å; F298-F477 HydrophobicContact CG-CD2 4.16Å; F298-F477 HydrophobicContact CG-CE1 4.35Å; F298-F477 HydrophobicContact CG-CE2 4.49Å; F298-F477 AromaticContact CG-CG 3.94Å; F298-F477 HydrophobicContact CG-CG 3.94Å; F298-F477 HydrophobicContact CZ-CB 3.7Å; F298-F477 HydrophobicContact CZ-CD1 4.21Å; F298-F477 HydrophobicContact CZ-CG 4.08Å; S381-F477 CarbonylContact O-C 3.48Å; S381-F477 VanDerWaalsContact O-CA 3.27Å; S381-F477 WeakPolarHBondContact O-CA 3.49Å; C382-F477 HydrophobicContact CB-CB 3.93Å; T405-F477 HydrophobicContact CG2-CD1 4.29Å; T405-F477 HydrophobicContact CG2-CE1 3.59Å; T405-F477 HydrophobicContact CG2-CZ 4.11Å; T405-F477 PolarHBondContact N-O 2.69Å; T405-F477 PolarHBondContact O-N 2.77Å; Y407-F477 HydrophobicContact CE2-CD1 4.33Å; Y407-F477 HydrophobicContact CE2-CE1 4.38Å; F477-Q479 HydrophobicContact CE2-CG 4.38Å |
| 478 | N | 98.2 | Very high | 97.2 | Very high | 10 Ų | 10 | 4.7 Ų | 4.7 | 5% | 0.053 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135.2 | 178.7 | -59.2 | -73.7 | 0 | 0 | 0 | 110.9 | M378 A379 F380 S381 K404 G480 N482 | M378-N478 WeakPolarHBondContact O-CB 3.43Å; A379-N478 CarbonylContact C-O 3.57Å; A379-N478 WeakPolarHBondContact CA-O 3.36Å; F380-N478 PolarHBondContact N-O 3.37Å; S381-N478 PolarHBondContact O-N 3.31Å; S381-N478 PolarHBondContact O-ND2 2.87Å; S381-N478 PolarHBondContact OG-ND2 3.27Å; K404-N478 WeakPolarHBondContact CG-OD1 3.02Å; K404-N478 PolarHBondContact NZ-OD1 2.92Å; N478-G480 VanDerWaalsContact C-N 3.27Å; N478-G480 PolarHBondContact O-N 2.88Å; N478-N482 PolarHBondContact OD1-ND2 3.09Å; N478-N482 PolarHBondContact OD1-OD1 3.43Å |
| 479 | Q | 97.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 4.8 Ų | 4.8 | 1% | 0.009 | 2% | 0.024 | C | C | . | . | S | Bend | trans | -76.6 | -15.4 | -178.7 | -68 | -79.1 | 0.9 | 0 | 0 | 112.8 | K278 L291 E402 P403 T405 F477 | K278-Q479 WeakPolarHBondContact CE-O 3.42Å; K278-Q479 PolarHBondContact NZ-O 3.18Å; L291-Q479 HydrophobicContact CD2-CB 4.22Å; L291-Q479 HydrophobicContact CD2-CG 3.8Å; L291-Q479 PolarHBondContact O-NE2 3.47Å; E402-Q479 HydrophobicContact CB-CB 4.48Å; P403-Q479 HydrophobicContact CB-CB 4.47Å; P403-Q479 HydrophobicContact CB-CG 4.24Å; P403-Q479 VanDerWaalsContact O-CB 3.27Å; P403-Q479 WeakPolarHBondContact O-CB 3.49Å; P403-Q479 WeakPolarHBondContact O-CG 3.28Å; P403-Q479 PolarHBondContact O-N 3.47Å; T405-Q479 PolarHBondContact OG1-NE2 3.05Å; F477-Q479 HydrophobicContact CE2-CG 4.38Å |
| 480 | G | 96.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.023 | C | C | . | . | S | Bend | trans | 179.8 | -156.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G377 M378 E402 N478 N482 | G377-G480 CarbonylContact C-O 3.59Å; M378-G480 CarbonylContact C-O 3.29Å; M378-G480 VanDerWaalsContact C-O 3.25Å; M378-G480 WeakPolarHBondContact CA-O 3.34Å; E402-G480 WeakPolarHBondContact OE1-CA 3.38Å; N478-G480 VanDerWaalsContact C-N 3.27Å; N478-G480 PolarHBondContact O-N 2.88Å; G480-N482 PolarHBondContact O-N 3.41Å |
| 481 | F | 97.9 | Very high | 97.1 | Very high | 23 Ų | 23 | 4.7 Ų | 4.7 | 10% | 0.101 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -66.9 | 121.4 | 176.2 | 175.2 | -133.9 | 0 | 0 | 0 | 111.2 | L267 F270 A274 V376 G377 M400 G401 E402 | L267-F481 HydrophobicContact CD1-CE2 3.71Å; L267-F481 HydrophobicContact CD1-CZ 3.73Å; L267-F481 HydrophobicContact CG-CZ 4.15Å; F270-F481 HydrophobicContact CD1-CD2 4Å; F270-F481 AromaticContact CD1-CE2 3.96Å; F270-F481 HydrophobicContact CD1-CE2 3.96Å; F270-F481 HydrophobicContact CE1-CD2 4.32Å; A274-F481 HydrophobicContact CB-CB 3.82Å; A274-F481 HydrophobicContact CB-CD2 4.4Å; A274-F481 HydrophobicContact CB-CG 4.39Å; V376-F481 HydrophobicContact CG1-CE2 4Å; G377-F481 VanDerWaalsContact O-CA 3.3Å; G377-F481 WeakPolarHBondContact O-CA 3.21Å; M400-F481 HydrophobicContact CE-CD1 4.37Å; M400-F481 HydrophobicContact CE-CE1 3.66Å; M400-F481 HydrophobicContact CE-CZ 4.02Å; G401-F481 CarbonylContact C-O 3.43Å; G401-F481 WeakPolarHBondContact CA-O 3.41Å; E402-F481 PolarHBondContact N-O 2.75Å |
| 482 | N | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 166.8 | 176.3 | 73.2 | 29 | 0 | 0 | 0 | 115.2 | V376 G377 L398 M400 E402 P403 N478 G480 | V376-N482 CarbonylContact C-O 3.55Å; V376-N482 WeakPolarHBondContact CA-O 3.25Å; G377-N482 WeakPolarHBondContact CA-OD1 3.38Å; G377-N482 PolarHBondContact N-O 3.11Å; G377-N482 PolarHBondContact N-OD1 2.94Å; G377-N482 PolarHBondContact O-N 2.74Å; L398-N482 HydrophobicContact CD1-CB 4.05Å; M400-N482 CarbonylContact O-C 3.26Å; M400-N482 WeakPolarHBondContact O-CA 3.38Å; M400-N482 WeakPolarHBondContact O-CB 3.27Å; E402-N482 WeakPolarHBondContact O-CB 3.48Å; E402-N482 PolarHBondContact O-ND2 2.83Å; P403-N482 PolarHBondContact O-ND2 3.22Å; N478-N482 PolarHBondContact OD1-ND2 3.09Å; N478-N482 PolarHBondContact OD1-OD1 3.43Å; G480-N482 PolarHBondContact O-N 3.41Å |
| 483 | F | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 121.6 | 173 | -170.3 | -73.5 | 0 | 0 | 0 | 109.8 | F53 V55 F60 L267 C374 Y375 V376 H399 M400 | F53-F483 HydrophobicContact CE2-CB 4.4Å; F53-F483 AromaticContact CE2-CD1 3.61Å; F53-F483 HydrophobicContact CE2-CD1 3.61Å; F53-F483 HydrophobicContact CE2-CD2 4.37Å; F53-F483 AromaticContact CE2-CE1 3.85Å; F53-F483 HydrophobicContact CE2-CE1 3.85Å; F53-F483 AromaticContact CE2-CG 3.89Å; F53-F483 HydrophobicContact CE2-CG 3.89Å; F53-F483 HydrophobicContact CE2-CZ 4.31Å; F53-F483 HydrophobicContact CZ-CB 4.29Å; F53-F483 HydrophobicContact CZ-CD1 4.07Å; F53-F483 AromaticContact CZ-CD2 3.99Å; F53-F483 HydrophobicContact CZ-CD2 3.99Å; F53-F483 HydrophobicContact CZ-CE1 4.36Å; F53-F483 HydrophobicContact CZ-CE2 4.28Å; F53-F483 AromaticContact CZ-CG 3.87Å; F53-F483 HydrophobicContact CZ-CG 3.87Å; F53-F483 HydrophobicContact CZ-CZ 4.45Å; V55-F483 HydrophobicContact CG1-CE2 4.48Å; V55-F483 HydrophobicContact CG2-CE2 4.41Å; V55-F483 HydrophobicContact CG2-CZ 4Å; F60-F483 HydrophobicContact CE1-CE2 4.2Å; F60-F483 AromaticContact CE2-CE2 3.99Å; F60-F483 HydrophobicContact CE2-CE2 3.99Å; F60-F483 HydrophobicContact CE2-CZ 4.27Å; F60-F483 AromaticContact CZ-CE2 3.72Å; F60-F483 HydrophobicContact CZ-CE2 3.72Å; F60-F483 HydrophobicContact CZ-CZ 4.28Å; L267-F483 HydrophobicContact CD1-CD2 4.09Å; L267-F483 HydrophobicContact CD2-CD2 3.72Å; L267-F483 HydrophobicContact CD2-CE2 4.11Å; C374-F483 HydrophobicContact CB-CE1 3.99Å; C374-F483 HydrophobicContact CB-CE2 4.26Å; C374-F483 HydrophobicContact CB-CZ 3.58Å; Y375-F483 WeakPolarHBondContact O-CA 3.12Å; V376-F483 HydrophobicContact CG2-CD2 3.93Å; V376-F483 HydrophobicContact CG2-CE2 4.25Å; H399-F483 HydrophobicContact CB-CD1 4.1Å; H399-F483 AromaticContact CD2-CD1 3.86Å; H399-F483 AromaticContact CD2-CE1 3.96Å; H399-F483 PolarHBondContact N-O 2.7Å; M400-F483 HydrophobicContact CG-CB 3.72Å; M400-F483 PolarHBondContact N-O 2.93Å; M400-F483 PolarHBondContact O-N 2.78Å; M400-F483 HydrophobicContact SD-CB 4.48Å |
| 484 | A | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.032 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 162.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C374 Y375 Y397 L398 | C374-A484 CarbonylContact C-O 3.49Å; C374-A484 WeakPolarHBondContact CA-O 3.48Å; Y375-A484 PolarHBondContact N-O 3.28Å; Y375-A484 PolarHBondContact O-N 2.84Å; Y397-A484 CarbonylContact O-C 3.6Å; Y397-A484 VanDerWaalsContact O-CA 3.24Å; Y397-A484 WeakPolarHBondContact O-CA 3.06Å; L398-A484 HydrophobicContact CD1-CB 3.8Å |
| 485 | E | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 139.6 | 175.6 | -171.9 | 168.2 | -177.5 | 0 | 0 | 109.2 | S324 G325 F326 L348 P372 W373 N396 Y397 H399 | S324-E485 VanDerWaalsContact CB-OE1 3.27Å; S324-E485 WeakPolarHBondContact CB-OE1 3.35Å; S324-E485 PolarHBondContact OG-OE1 3.46Å; S324-E485 PolarHBondContact OG-OE2 3.45Å; S324-E485 VanDerWaalsContact OG-OE2 3.1Å; G325-E485 WeakPolarHBondContact CA-OE2 3.19Å; G325-E485 PolarHBondContact N-OE2 3.33Å; F326-E485 WeakPolarHBondContact CD2-OE2 3.2Å; L348-E485 HydrophobicContact CD1-CG 4.48Å; L348-E485 VanDerWaalsContact CD1-O 3.31Å; L348-E485 WeakPolarHBondContact CD1-O 3.42Å; P372-E485 HydrophobicContact CB-CG 3.78Å; W373-E485 CarbonylContact O-C 3.59Å; W373-E485 WeakPolarHBondContact O-CA 3.33Å; N396-E485 CarbonylContact C-O 3.58Å; N396-E485 WeakPolarHBondContact CA-O 3.47Å; Y397-E485 PolarHBondContact N-O 2.85Å; Y397-E485 PolarHBondContact O-N 3.44Å; H399-E485 IonicContact CD2-OE2 2.7Å; H399-E485 IonicContact CE1-OE2 2.82Å; H399-E485 IonicContact NE2-OE2 2.68Å; H399-E485 PolarHBondContact NE2-OE2 2.93Å |
| 486 | A | 97.2 | Very high | 96.7 | Very high | 10 Ų | 10 | 9.2 Ų | 9.2 | 8% | 0.083 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P372 W373 Y375 I395 N396 | P372-A486 CarbonylContact C-O 3.59Å; P372-A486 VanDerWaalsContact CA-O 3.23Å; P372-A486 WeakPolarHBondContact CA-O 3.41Å; W373-A486 PolarHBondContact N-O 2.98Å; W373-A486 PolarHBondContact O-N 3.46Å; Y375-A486 HydrophobicContact CE2-CB 3.98Å; I395-A486 WeakPolarHBondContact O-CA 3.44Å; I395-A486 WeakPolarHBondContact O-CB 3.45Å; N396-A486 HydrophobicContact CB-CB 3.96Å |
| 487 | V | 96.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.012 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 158.3 | 176.6 | 79.8 | 0 | 0 | 0 | 0 | 110.6 | L348 P352 P372 S394 I395 | L348-V487 HydrophobicContact CB-CB 4.4Å; L348-V487 HydrophobicContact CB-CG1 3.92Å; L348-V487 HydrophobicContact CD2-CG1 4.22Å; L348-V487 HydrophobicContact CG-CG1 4.47Å; P352-V487 HydrophobicContact CG-CB 4.31Å; P352-V487 HydrophobicContact CG-CG1 3.87Å; P352-V487 HydrophobicContact CG-CG2 3.46Å; P352-V487 VanDerWaalsContact CG-CG2 3.46Å; P372-V487 HydrophobicContact CB-CB 4.24Å; P372-V487 HydrophobicContact CB-CG2 4.43Å; P372-V487 HydrophobicContact CG-CB 4.07Å; P372-V487 HydrophobicContact CG-CG2 4.01Å; S394-V487 WeakPolarHBondContact CA-O 3.43Å; I395-V487 HydrophobicContact CG2-CG1 4Å; I395-V487 PolarHBondContact N-O 3.39Å; I395-V487 PolarHBondContact O-N 3.44Å; I395-V487 VanDerWaalsContact O-N 3.08Å |
| 488 | N | 96.6 | Very high | 96.5 | Very high | 12 Ų | 12 | 11.6 Ų | 11.6 | 6% | 0.064 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 160.1 | 172.9 | -57.2 | 99.6 | 0 | 0 | 0 | 112.4 | L359 G368 M369 E388 S392 Y393 | L359-N488 HydrophobicContact CD1-CB 4.43Å; G368-N488 PolarHBondContact O-OD1 3.22Å; M369-N488 WeakPolarHBondContact CA-OD1 3.35Å; M369-N488 HydrophobicContact CB-CB 4.3Å; M369-N488 HydrophobicContact CE-CB 4.36Å; E388-N488 PolarHBondContact OE2-ND2 3.12Å; S392-N488 PolarHBondContact OG-ND2 2.89Å; S392-N488 VanDerWaalsContact OG-ND2 3.16Å; Y393-N488 WeakPolarHBondContact O-CA 3.38Å; Y393-N488 WeakPolarHBondContact O-CB 3.28Å; Y393-N488 PolarHBondContact O-ND2 3.41Å |
| 489 | F | 96.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 1% | 0.013 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 160.9 | 168.9 | 63.7 | -73.9 | 0 | 0 | 0 | 110.4 | I25 V28 Y393 I395 V467 | I25-F489 HydrophobicContact CD1-CD2 4.43Å; I25-F489 HydrophobicContact CG1-CD2 4.15Å; V28-F489 HydrophobicContact CB-CE2 4.38Å; V28-F489 HydrophobicContact CB-CZ 4.38Å; V28-F489 HydrophobicContact CG1-CE2 4.15Å; V28-F489 HydrophobicContact CG1-CZ 4.01Å; V28-F489 HydrophobicContact CG2-CZ 4.21Å; Y393-F489 HydrophobicContact CD1-CE2 4.33Å; Y393-F489 HydrophobicContact CD1-CZ 4Å; Y393-F489 HydrophobicContact CG-CE1 4.47Å; Y393-F489 HydrophobicContact CG-CE2 4.14Å; Y393-F489 AromaticContact CG-CZ 4Å; Y393-F489 HydrophobicContact CG-CZ 4Å; Y393-F489 PolarHBondContact N-O 3.08Å; Y393-F489 PolarHBondContact O-N 2.86Å; I395-F489 HydrophobicContact CB-CD1 4.4Å; I395-F489 HydrophobicContact CB-CE1 3.86Å; I395-F489 HydrophobicContact CG2-CD1 3.87Å; I395-F489 HydrophobicContact CG2-CE1 3.84Å; V467-F489 HydrophobicContact CG1-CZ 4.33Å |
| 490 | C | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -139.9 | 85.4 | -168 | -71.8 | 0 | 0 | 0 | 0 | 111.2 | A358 L359 W494 | A358-C490 HydrophobicContact CB-CB 4.04Å; A358-C490 WeakPolarHBondContact CB-O 3.4Å; A358-C490 PolarHBondContact N-O 2.71Å; L359-C490 HydrophobicContact CD2-CB 4.2Å; L359-C490 HydrophobicContact CG-CB 3.95Å; C490-W494 HydrophobicContact CB-CD2 3.75Å; C490-W494 HydrophobicContact CB-CE3 3.43Å; C490-W494 VanDerWaalsContact CB-CE3 3.43Å; C490-W494 HydrophobicContact CB-CG 4.24Å; C490-W494 HydrophobicContact CB-CZ3 3.9Å; C490-W494 VanDerWaalsContact SG-CD2 3.57Å | ||
| 491 | P | 95.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -68.7 | 173.2 | 173 | 31.3 | -35.9 | 0 | 0 | 0 | 112.3 | I25 Q29 N356 Y393 D493 W494 | I25-P491 HydrophobicContact CG2-CB 3.87Å; Q29-P491 HydrophobicContact CG-CB 3.97Å; Q29-P491 HydrophobicContact CG-CG 4.41Å; N356-P491 WeakPolarHBondContact O-CA 3.34Å; Y393-P491 HydrophobicContact CD2-CG 3.76Å; Y393-P491 HydrophobicContact CE2-CG 3.37Å; P491-D493 VanDerWaalsContact C-N 3.28Å; P491-D493 WeakPolarHBondContact CB-OD1 3.36Å; P491-D493 WeakPolarHBondContact CG-OD1 3.13Å; P491-D493 PolarHBondContact O-N 3.19Å; P491-W494 HydrophobicContact CG-CB 4.45Å; P491-W494 WeakPolarHBondContact O-CB 3.46Å; P491-W494 PolarHBondContact O-N 3.28Å | ||
| 492 | A | 94 | Very high | 96 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 4% | 0.041 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -36.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | W494 L495 E533 F534 | A492-W494 VanDerWaalsContact C-N 3.32Å; A492-W494 PolarHBondContact O-N 2.87Å; A492-L495 WeakPolarHBondContact O-CB 3.35Å; A492-L495 PolarHBondContact O-N 3.3Å; A492-E533 HydrophobicContact CB-CB 3.68Å; A492-F534 VanDerWaalsContact CA-CE1 3.42Å; A492-F534 HydrophobicContact CB-CD1 3.72Å; A492-F534 HydrophobicContact CB-CD2 4.44Å; A492-F534 HydrophobicContact CB-CE1 3.82Å; A492-F534 HydrophobicContact CB-CG 4.04Å; A492-F534 HydrophobicContact CB-CZ 4.25Å |
| 493 | D | 93.7 | Very high | 95.8 | Very high | 51 Ų | 51 | 23.1 Ų | 23.1 | 27% | 0.273 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -27.2 | 176.1 | 54.1 | -78.1 | 0 | 0 | 0 | 113.6 | Q29 Y393 P491 L495 | Q29-D493 PolarHBondContact NE2-OD1 3.38Å; Y393-D493 VanDerWaalsContact CE2-OD2 3.32Å; Y393-D493 WeakPolarHBondContact CE2-OD2 3.25Å; Y393-D493 PolarHBondContact OH-OD2 2.84Å; P491-D493 VanDerWaalsContact C-N 3.28Å; P491-D493 WeakPolarHBondContact CB-OD1 3.36Å; P491-D493 WeakPolarHBondContact CG-OD1 3.13Å; P491-D493 PolarHBondContact O-N 3.19Å; D493-L495 PolarHBondContact O-N 3.22Å |
| 494 | W | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.2 | -28.2 | 175.7 | 162 | 78.7 | 0 | 0 | 0 | 112.4 | A358 H390 W391 Y393 C490 P491 A492 E496 F497 G498 F514 H516 L519 | A358-W494 HydrophobicContact CB-CZ3 4.4Å; H390-W494 HydrophobicContact CB-CZ2 3.93Å; H390-W494 PolarHBondContact O-NE1 2.93Å; W391-W494 PolarHBondContact O-NE1 3.35Å; Y393-W494 HydrophobicContact CD2-CB 4.31Å; Y393-W494 HydrophobicContact CE2-CB 4.24Å; C490-W494 HydrophobicContact CB-CD2 3.75Å; C490-W494 HydrophobicContact CB-CE3 3.43Å; C490-W494 VanDerWaalsContact CB-CE3 3.43Å; C490-W494 HydrophobicContact CB-CG 4.24Å; C490-W494 HydrophobicContact CB-CZ3 3.9Å; C490-W494 VanDerWaalsContact SG-CD2 3.57Å; P491-W494 HydrophobicContact CG-CB 4.45Å; P491-W494 WeakPolarHBondContact O-CB 3.46Å; P491-W494 PolarHBondContact O-N 3.28Å; A492-W494 VanDerWaalsContact C-N 3.32Å; A492-W494 PolarHBondContact O-N 2.87Å; W494-E496 PolarHBondContact O-N 2.89Å; W494-F497 CarbonylContact O-C 3.45Å; W494-F497 WeakPolarHBondContact O-CA 3.3Å; W494-F497 WeakPolarHBondContact O-CB 3.46Å; W494-F497 PolarHBondContact O-N 3.16Å; W494-G498 PolarHBondContact O-N 2.72Å; W494-F514 HydrophobicContact CH2-CE2 4.25Å; W494-F514 AromaticContact CH2-CZ 3.92Å; W494-F514 HydrophobicContact CH2-CZ 3.92Å; W494-F514 HydrophobicContact CZ2-CZ 4.25Å; W494-H516 AromaticContact CH2-ND1 3.79Å; W494-L519 HydrophobicContact CH2-CD2 3.92Å; W494-L519 HydrophobicContact CZ3-CD2 3.81Å |
| 495 | L | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.9 | -32 | -172.8 | -77.9 | 169.1 | 0 | 0 | 0 | 113.1 | A492 D493 R499 H516 L520 F534 V537 I538 Q541 | A492-L495 WeakPolarHBondContact O-CB 3.35Å; A492-L495 PolarHBondContact O-N 3.3Å; D493-L495 PolarHBondContact O-N 3.22Å; L495-R499 PolarHBondContact O-N 3.01Å; L495-H516 PolarHBondContact O-CE1 2.73Å; L495-H516 VanDerWaalsContact O-CE1 3.26Å; L495-H516 PolarHBondContact O-NE2 1.84Å; L495-L520 HydrophobicContact CD2-CD2 4.16Å; L495-F534 HydrophobicContact CD1-CD1 3.79Å; L495-F534 HydrophobicContact CD1-CE1 4.04Å; L495-V537 HydrophobicContact CB-CG1 3.71Å; L495-V537 HydrophobicContact CD1-CB 4.27Å; L495-V537 HydrophobicContact CD1-CG1 4.02Å; L495-I538 HydrophobicContact CD1-CG1 3.81Å; L495-Q541 PolarHBondContact O-NE2 2.79Å; L495-Q541 PolarHBondContact O-OE1 2.85Å |
| 496 | E | 94.7 | Very high | 94.7 | Very high | 75 Ų | 75 | 25.9 Ų | 25.9 | 35% | 0.35 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -72.8 | -39.5 | 176.4 | -53.6 | -149.5 | 138.6 | 0 | 0 | 111.8 | W494 R499 N500 V537 K540 | W494-E496 PolarHBondContact O-N 2.89Å; E496-R499 PolarHBondContact O-N 3.25Å; E496-N500 PolarHBondContact O-N 3.15Å; E496-N500 VanDerWaalsContact O-N 3.12Å; E496-N500 PolarHBondContact O-ND2 2.91Å; E496-N500 PolarHBondContact O-OD1 3.43Å; E496-V537 HydrophobicContact CG-CG1 4.1Å; E496-K540 WeakPolarHBondContact OE1-CE 3.35Å; E496-K540 IonicContact OE1-NZ 3.21Å; E496-K540 PolarHBondContact OE1-NZ 2.69Å; E496-K540 IonicContact OE2-NZ 3.29Å |
| 497 | F | 95.8 | Very high | 94.2 | Very high | 51 Ų | 51 | 32 Ų | 32 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 171.1 | -64.3 | -86.2 | 0 | 0 | 0 | 112 | F36 W391 T411 P470 W494 R499 N500 C501 | F36-F497 HydrophobicContact CE2-CE1 4.26Å; F36-F497 HydrophobicContact CE2-CE2 4.4Å; F36-F497 AromaticContact CE2-CZ 3.69Å; F36-F497 HydrophobicContact CE2-CZ 3.69Å; F36-F497 HydrophobicContact CZ-CE1 4.12Å; F36-F497 AromaticContact CZ-CZ 3.7Å; F36-F497 HydrophobicContact CZ-CZ 3.7Å; W391-F497 HydrophobicContact CB-CB 4.47Å; T411-F497 HydrophobicContact CG2-CE1 3.82Å; P470-F497 HydrophobicContact CB-CB 3.92Å; P470-F497 HydrophobicContact CB-CD1 3.72Å; P470-F497 HydrophobicContact CB-CD2 3.8Å; P470-F497 HydrophobicContact CB-CE1 4.18Å; P470-F497 HydrophobicContact CB-CE2 4.25Å; P470-F497 HydrophobicContact CB-CG 3.52Å; P470-F497 HydrophobicContact CB-CZ 4.42Å; P470-F497 HydrophobicContact CG-CD2 4.12Å; P470-F497 HydrophobicContact CG-CE2 4.47Å; P470-F497 HydrophobicContact CG-CG 4.31Å; W494-F497 CarbonylContact O-C 3.45Å; W494-F497 WeakPolarHBondContact O-CA 3.3Å; W494-F497 WeakPolarHBondContact O-CB 3.46Å; W494-F497 PolarHBondContact O-N 3.16Å; F497-R499 PolarHBondContact O-N 3.37Å; F497-N500 PolarHBondContact O-N 2.62Å; F497-C501 VanDerWaalsContact O-CB 3.24Å; F497-C501 WeakPolarHBondContact O-CB 3.2Å; F497-C501 PolarHBondContact O-N 3.15Å |
| 498 | G | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.6 | -47.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W494 C501 I502 | W494-G498 PolarHBondContact O-N 2.72Å; G498-C501 WeakPolarHBondContact O-CB 3.35Å; G498-C501 PolarHBondContact O-N 2.73Å; G498-I502 WeakPolarHBondContact O-CG1 3.48Å; G498-I502 PolarHBondContact O-N 3.13Å; G498-I502 VanDerWaalsContact O-N 3.1Å |
| 499 | R | 95.1 | Very high | 92.8 | Very high | 73 Ų | 73 | 38 Ų | 38 | 28% | 0.275 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.9 | -53.9 | 173.1 | 174.7 | -176.8 | 170.7 | 178.1 | -2.1 | 111.8 | L495 E496 F497 C501 I502 E503 D544 | L495-R499 PolarHBondContact O-N 3.01Å; E496-R499 PolarHBondContact O-N 3.25Å; F497-R499 PolarHBondContact O-N 3.37Å; R499-C501 PolarHBondContact O-N 2.88Å; R499-I502 PolarHBondContact O-N 3.45Å; R499-E503 WeakPolarHBondContact CG-OE1 3.27Å; R499-E503 IonicContact CZ-OE1 2.71Å; R499-E503 IonicContact NE-OE1 2.67Å; R499-E503 PolarHBondContact NE-OE1 3.19Å; R499-E503 IonicContact NH2-OE1 3.73Å; R499-E503 PolarHBondContact O-N 3.44Å; R499-E503 VanDerWaalsContact O-N 3.09Å; R499-D544 IonicContact CZ-OD2 2.7Å; R499-D544 IonicContact NH1-OD2 2.6Å; R499-D544 PolarHBondContact NH1-OD2 3.18Å |
| 500 | N | 95.1 | Very high | 92.2 | Very high | 77 Ų | 77 | 40.6 Ų | 40.6 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.8 | -32 | -177.6 | -63.3 | -11.6 | 0 | 0 | 0 | 111.3 | W391 E496 F497 E503 H504 | W391-N500 HydrophobicContact CE3-CB 4.47Å; W391-N500 HydrophobicContact CZ3-CB 3.77Å; E496-N500 PolarHBondContact O-N 3.15Å; E496-N500 VanDerWaalsContact O-N 3.12Å; E496-N500 PolarHBondContact O-ND2 2.91Å; E496-N500 PolarHBondContact O-OD1 3.43Å; F497-N500 PolarHBondContact O-N 2.62Å; N500-E503 PolarHBondContact O-N 3.18Å; N500-H504 WeakPolarHBondContact O-CB 3.14Å; N500-H504 PolarHBondContact O-N 2.86Å |
| 501 | C | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.8 | -41.8 | 174.6 | -161.9 | 0 | 0 | 0 | 0 | 112.4 | H390 W391 F497 G498 R499 H504 Y505 | H390-C501 VanDerWaalsContact CA-SG 3.51Å; W391-C501 HydrophobicContact CB-CB 4.25Å; W391-C501 HydrophobicContact CD2-CB 3.56Å; W391-C501 VanDerWaalsContact CD2-SG 3.51Å; W391-C501 VanDerWaalsContact CE2-SG 3.58Å; W391-C501 HydrophobicContact CE3-CB 3.63Å; W391-C501 HydrophobicContact CG-CB 3.86Å; W391-C501 HydrophobicContact CZ3-CB 4.18Å; F497-C501 VanDerWaalsContact O-CB 3.24Å; F497-C501 WeakPolarHBondContact O-CB 3.2Å; F497-C501 PolarHBondContact O-N 3.15Å; G498-C501 WeakPolarHBondContact O-CB 3.35Å; G498-C501 PolarHBondContact O-N 2.73Å; R499-C501 PolarHBondContact O-N 2.88Å; C501-H504 PolarHBondContact O-N 3.17Å; C501-Y505 WeakPolarHBondContact O-CB 3.47Å; C501-Y505 VanDerWaalsContact O-CG 3.27Å; C501-Y505 PolarHBondContact O-N 3.06Å; C501-Y505 WeakPolarHBondContact SG-CE1 3.46Å; C501-Y505 PolarHBondContact SG-OH 3.4Å |
| 502 | I | 94.5 | Very high | 91.6 | Very high | 27 Ų | 27 | 43.3 Ų | 43.3 | 14% | 0.138 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63 | -42.5 | 173.9 | -63.8 | -59.5 | 0 | 0 | 0 | 111.4 | G498 R499 H504 Y505 A506 P512 H516 T584 | G498-I502 WeakPolarHBondContact O-CG1 3.48Å; G498-I502 PolarHBondContact O-N 3.13Å; G498-I502 VanDerWaalsContact O-N 3.1Å; R499-I502 PolarHBondContact O-N 3.45Å; I502-H504 VanDerWaalsContact C-N 3.35Å; I502-Y505 PolarHBondContact O-N 3.38Å; I502-A506 WeakPolarHBondContact O-CB 2.88Å; I502-A506 PolarHBondContact O-N 3.24Å; I502-P512 HydrophobicContact CD1-CB 3.41Å; I502-P512 VanDerWaalsContact CD1-CB 3.41Å; I502-P512 HydrophobicContact CD1-CG 3.99Å; I502-H516 HydrophobicContact CD1-CB 4.41Å; I502-H516 HydrophobicContact CG1-CB 3.73Å; I502-T584 HydrophobicContact CG2-CG2 3.86Å |
| 503 | E | 92.3 | Very high | 91.5 | Very high | 100 Ų | 100 | 45.6 Ų | 45.6 | 47% | 0.467 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 177 | -65.9 | 179.3 | -161.2 | 0 | 0 | 110.8 | R499 N500 A506 L507 | R499-E503 WeakPolarHBondContact CG-OE1 3.27Å; R499-E503 IonicContact CZ-OE1 2.71Å; R499-E503 IonicContact NE-OE1 2.67Å; R499-E503 PolarHBondContact NE-OE1 3.19Å; R499-E503 IonicContact NH2-OE1 3.73Å; R499-E503 PolarHBondContact O-N 3.44Å; R499-E503 VanDerWaalsContact O-N 3.09Å; N500-E503 PolarHBondContact O-N 3.18Å; E503-A506 PolarHBondContact O-N 2.63Å; E503-L507 PolarHBondContact O-N 2.79Å |
| 504 | H | 90 | Very high | 91.4 | Very high | 33 Ų | 33 | 43.6 Ų | 43.6 | 15% | 0.153 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.6 | -43.5 | 174.5 | -174.7 | 100.3 | 0 | 0 | 0 | 113.2 | W391 E418 N500 C501 I502 A506 L507 L508 | W391-H504 HydrophobicContact CH2-CB 3.79Å; W391-H504 AromaticContact CH2-CG 3.97Å; W391-H504 HydrophobicContact CZ2-CB 3.9Å; W391-H504 AromaticContact CZ2-CD2 3.87Å; W391-H504 AromaticContact CZ2-CG 3.73Å; E418-H504 IonicContact OE1-CE1 2.62Å; N500-H504 WeakPolarHBondContact O-CB 3.14Å; N500-H504 PolarHBondContact O-N 2.86Å; C501-H504 PolarHBondContact O-N 3.17Å; I502-H504 VanDerWaalsContact C-N 3.35Å; H504-A506 VanDerWaalsContact C-N 3.27Å; H504-A506 PolarHBondContact O-N 3.16Å; H504-L507 WeakPolarHBondContact O-CB 3.31Å; H504-L507 PolarHBondContact O-N 2.89Å; H504-L507 VanDerWaalsContact O-N 3.14Å; H504-L508 WeakPolarHBondContact NE2-CD1 3.46Å; H504-L508 PolarHBondContact O-N 2.95Å; H504-L508 VanDerWaalsContact O-N 3.12Å |
| 505 | Y | 91.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -33.8 | 175.3 | -74 | -3.6 | 0 | 0 | 0 | 112.2 | D389 H390 C501 I502 L507 L508 H509 R510 P512 | D389-Y505 PolarHBondContact OD1-OH 2.92Å; H390-Y505 PolarHBondContact N-OH 2.96Å; C501-Y505 WeakPolarHBondContact O-CB 3.47Å; C501-Y505 VanDerWaalsContact O-CG 3.27Å; C501-Y505 PolarHBondContact O-N 3.06Å; C501-Y505 WeakPolarHBondContact SG-CE1 3.46Å; C501-Y505 PolarHBondContact SG-OH 3.4Å; I502-Y505 PolarHBondContact O-N 3.38Å; Y505-L507 VanDerWaalsContact C-N 3.33Å; Y505-L507 PolarHBondContact O-N 3.32Å; Y505-L508 CarbonylContact O-C 3.54Å; Y505-L508 PolarHBondContact O-N 3.01Å; Y505-H509 PolarHBondContact O-N 2.89Å; Y505-R510 HydrophobicContact CD1-CB 4.44Å; Y505-R510 HydrophobicContact CG-CB 4.22Å; Y505-R510 HydrophobicContact CG-CG 4.46Å; Y505-R510 PolarHBondContact O-N 3.48Å; Y505-R510 PolarHBondContact OH-NH1 3.28Å; Y505-P512 HydrophobicContact CD2-CB 4.09Å |
| 506 | A | 89.1 | Confident | 91.2 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -36.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I502 E503 H504 H509 C582 | I502-A506 WeakPolarHBondContact O-CB 2.88Å; I502-A506 PolarHBondContact O-N 3.24Å; E503-A506 PolarHBondContact O-N 2.63Å; H504-A506 VanDerWaalsContact C-N 3.27Å; H504-A506 PolarHBondContact O-N 3.16Å; A506-H509 PolarHBondContact O-N 3.16Å; A506-C582 HydrophobicContact CB-CB 4.02Å; A506-C582 VanDerWaalsContact O-CB 3.28Å; A506-C582 WeakPolarHBondContact O-CB 3.31Å |
| 507 | L | 86.3 | Confident | 91.2 | Very high | 138 Ų | 138 | 41.9 Ų | 41.9 | 72% | 0.723 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -70 | -33.1 | 174 | -63.8 | 172.3 | 0 | 0 | 0 | 112.6 | E503 H504 Y505 H509 | E503-L507 PolarHBondContact O-N 2.79Å; H504-L507 WeakPolarHBondContact O-CB 3.31Å; H504-L507 PolarHBondContact O-N 2.89Å; H504-L507 VanDerWaalsContact O-N 3.14Å; Y505-L507 VanDerWaalsContact C-N 3.33Å; Y505-L507 PolarHBondContact O-N 3.32Å; L507-H509 VanDerWaalsContact C-N 3.34Å |
| 508 | L | 80.7 | Confident | 91.2 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 20% | 0.199 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 0.3 | 177.4 | -64.5 | -176.1 | 0 | 0 | 0 | 114.2 | H437 H504 Y505 R510 | H437-L508 WeakPolarHBondContact NE2-CD1 3.47Å; H504-L508 WeakPolarHBondContact NE2-CD1 3.46Å; H504-L508 PolarHBondContact O-N 2.95Å; H504-L508 VanDerWaalsContact O-N 3.12Å; Y505-L508 CarbonylContact O-C 3.54Å; Y505-L508 PolarHBondContact O-N 3.01Å; L508-R510 VanDerWaalsContact C-N 3.27Å; L508-R510 PolarHBondContact O-N 3.3Å |
| 509 | H | 84 | Confident | 91.2 | Very high | 103 Ų | 103 | 39.9 Ų | 39.9 | 48% | 0.477 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 37.3 | -173.4 | -49.7 | -87.8 | 0 | 0 | 0 | 113.4 | Y505 A506 L507 L581 R583 | Y505-H509 PolarHBondContact O-N 2.89Å; A506-H509 PolarHBondContact O-N 3.16Å; L507-H509 VanDerWaalsContact C-N 3.34Å; H509-L581 PolarHBondContact ND1-O 2.03Å; H509-R583 WeakPolarHBondContact O-CG 3.49Å |
| 510 | R | 82.4 | Confident | 91.2 | Very high | 56 Ų | 56 | 36.6 Ų | 36.6 | 21% | 0.211 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -98.2 | 130.5 | -179.9 | -171.5 | 178.8 | -172 | -93.2 | 6.4 | 111.2 | D389 Y505 L508 | D389-R510 IonicContact OD1-CZ 3.51Å; D389-R510 IonicContact OD1-NH1 2.73Å; D389-R510 PolarHBondContact OD1-NH1 3.02Å; D389-R510 IonicContact OD1-NH2 3.35Å; D389-R510 PolarHBondContact OD1-NH2 2.7Å; D389-R510 IonicContact OD2-NH2 3.15Å; Y505-R510 HydrophobicContact CD1-CB 4.44Å; Y505-R510 HydrophobicContact CG-CB 4.22Å; Y505-R510 HydrophobicContact CG-CG 4.46Å; Y505-R510 PolarHBondContact O-N 3.48Å; Y505-R510 PolarHBondContact OH-NH1 3.28Å; L508-R510 VanDerWaalsContact C-N 3.27Å; L508-R510 PolarHBondContact O-N 3.3Å |
| 511 | T | 88.7 | Confident | 91.2 | Very high | 53 Ų | 53 | 32.9 Ų | 32.9 | 33% | 0.325 | 17% | 0.172 | S | C | . | . | P | Polyproline II helix | trans | -67.3 | 126.7 | 171.3 | -49.1 | 0 | 0 | 0 | 0 | 109.8 | E578 | T511-E578 HydrophobicContact CG2-CG 4.12Å; T511-E578 WeakPolarHBondContact CG2-OE1 3.44Å; T511-E578 PolarHBondContact OG1-OE1 3.48Å |
| 512 | P | 92.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -79 | 148.9 | 173.5 | 33 | -34 | 0 | 0 | 0 | 111.2 | I502 Y505 F514 T585 | I502-P512 HydrophobicContact CD1-CB 3.41Å; I502-P512 VanDerWaalsContact CD1-CB 3.41Å; I502-P512 HydrophobicContact CD1-CG 3.99Å; Y505-P512 HydrophobicContact CD2-CB 4.09Å; P512-F514 WeakPolarHBondContact CB-O 3.42Å; P512-F514 PolarHBondContact O-N 3.37Å; P512-T585 WeakPolarHBondContact CG-OG1 3.44Å |
| 513 | V | 90.7 | Very high | 91.1 | Very high | 53 Ų | 53 | 35 Ų | 35 | 32% | 0.321 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -67.3 | -18.5 | -175.3 | -164.3 | 0 | 0 | 0 | 0 | 113.4 | I366 M369 D389 H390 | I366-V513 HydrophobicContact CD1-CG1 4.48Å; I366-V513 HydrophobicContact CG2-CG1 3.74Å; M369-V513 HydrophobicContact SD-CB 4.22Å; M369-V513 HydrophobicContact SD-CG1 4.15Å; D389-V513 HydrophobicContact CB-CG2 3.88Å; D389-V513 VanDerWaalsContact CG-CG2 3.45Å; H390-V513 PolarHBondContact NE2-N 3.12Å |
| 514 | F | 92.2 | Very high | 91.2 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 4% | 0.044 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -156.9 | 174.3 | 171.2 | 57.8 | -97 | 0 | 0 | 0 | 109 | L359 L362 I366 M369 H390 W494 P512 L519 | L359-F514 HydrophobicContact CD2-CE1 4.39Å; L359-F514 HydrophobicContact CD2-CZ 4.46Å; L362-F514 HydrophobicContact CD1-CD1 3.8Å; L362-F514 HydrophobicContact CD1-CD2 4.37Å; L362-F514 HydrophobicContact CD1-CE1 3.88Å; L362-F514 HydrophobicContact CD1-CE2 4.45Å; L362-F514 HydrophobicContact CD1-CG 4.07Å; L362-F514 HydrophobicContact CD1-CZ 4.22Å; L362-F514 HydrophobicContact CD2-CB 4.43Å; L362-F514 HydrophobicContact CD2-CD2 4.03Å; L362-F514 HydrophobicContact CD2-CE2 4.49Å; L362-F514 HydrophobicContact CD2-CG 4.17Å; I366-F514 HydrophobicContact CD1-CB 4.2Å; I366-F514 HydrophobicContact CD1-CD1 3.76Å; I366-F514 HydrophobicContact CD1-CG 4.39Å; M369-F514 HydrophobicContact CE-CE1 3.99Å; M369-F514 HydrophobicContact SD-CD1 4.32Å; M369-F514 HydrophobicContact SD-CE1 3.96Å; H390-F514 AromaticContact CD2-CD1 3.83Å; H390-F514 AromaticContact CD2-CE1 3.42Å; H390-F514 VanDerWaalsContact CD2-CE1 3.42Å; H390-F514 WeakPolarHBondContact CD2-CE1 3.42Å; H390-F514 AromaticContact CD2-CZ 3.86Å; H390-F514 AromaticContact CE1-CD1 3.85Å; H390-F514 AromaticContact CE1-CD2 3.9Å; H390-F514 AromaticContact CE1-CE1 3.83Å; H390-F514 AromaticContact CE1-CE2 3.86Å; H390-F514 AromaticContact CE1-CG 3.87Å; H390-F514 AromaticContact CE1-CZ 3.83Å; H390-F514 PolarHBondContact CE1-O 3.2Å; H390-F514 VanDerWaalsContact CE1-O 3.3Å; H390-F514 AromaticContact CG-CZ 3.99Å; H390-F514 AromaticContact NE2-CD1 3.22Å; H390-F514 WeakPolarHBondContact NE2-CD1 3.27Å; H390-F514 AromaticContact NE2-CE1 3.28Å; H390-F514 VanDerWaalsContact NE2-CE1 3.28Å; H390-F514 WeakPolarHBondContact NE2-CE1 3.4Å; H390-F514 AromaticContact NE2-CG 3.67Å; H390-F514 AromaticContact NE2-CZ 3.75Å; H390-F514 PolarHBondContact NE2-N 2.88Å; W494-F514 HydrophobicContact CH2-CE2 4.25Å; W494-F514 AromaticContact CH2-CZ 3.92Å; W494-F514 HydrophobicContact CH2-CZ 3.92Å; W494-F514 HydrophobicContact CZ2-CZ 4.25Å; P512-F514 WeakPolarHBondContact CB-O 3.42Å; P512-F514 PolarHBondContact O-N 3.37Å; F514-L519 HydrophobicContact CE2-CB 4.42Å; F514-L519 HydrophobicContact CE2-CD2 3.88Å; F514-L519 HydrophobicContact CZ-CD2 4.38Å |
| 515 | S | 93.3 | Very high | 91.3 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 6% | 0.063 | 18% | 0.176 | C | C | . | . | trans | -93.8 | 118.5 | 174.3 | -168.2 | 0 | 0 | 0 | 0 | 111.6 | A517 E518 L519 T585 | S515-A517 VanDerWaalsContact C-N 3.26Å; S515-A517 PolarHBondContact O-N 2.97Å; S515-E518 WeakPolarHBondContact O-CA 3.37Å; S515-E518 WeakPolarHBondContact O-CB 3.46Å; S515-E518 PolarHBondContact O-N 3.46Å; S515-L519 PolarHBondContact O-N 3.21Å; S515-L519 VanDerWaalsContact O-N 3.08Å; S515-T585 PolarHBondContact OG-O 2.83Å | ||
| 516 | H | 95.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.056 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -35.6 | 177.2 | -170.3 | 83.5 | 0 | 0 | 0 | 112.4 | W494 L495 I502 E518 L519 L520 Q541 | W494-H516 AromaticContact CH2-ND1 3.79Å; L495-H516 PolarHBondContact O-CE1 2.73Å; L495-H516 VanDerWaalsContact O-CE1 3.26Å; L495-H516 PolarHBondContact O-NE2 1.84Å; I502-H516 HydrophobicContact CD1-CB 4.41Å; I502-H516 HydrophobicContact CG1-CB 3.73Å; H516-E518 VanDerWaalsContact C-N 3.3Å; H516-E518 PolarHBondContact O-N 3.31Å; H516-L519 PolarHBondContact O-N 3.32Å; H516-L520 WeakPolarHBondContact O-CG 3.35Å; H516-L520 PolarHBondContact O-N 3.09Å; H516-Q541 PolarHBondContact NE2-OE1 2.71Å |
| 517 | A | 95.1 | Very high | 90.6 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65 | -32.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S515 C521 L545 Y587 L588 | S515-A517 VanDerWaalsContact C-N 3.26Å; S515-A517 PolarHBondContact O-N 2.97Å; A517-C521 WeakPolarHBondContact O-CB 3.38Å; A517-C521 PolarHBondContact O-N 3.22Å; A517-C521 PolarHBondContact O-SG 3.07Å; A517-L545 HydrophobicContact CB-CD1 3.92Å; A517-Y587 HydrophobicContact CB-CD1 4.22Å; A517-L588 HydrophobicContact CB-CD1 4.15Å; A517-L588 HydrophobicContact CB-CD2 4.36Å; A517-L588 HydrophobicContact CB-CG 4.03Å |
| 518 | E | 95.3 | Very high | 90.2 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.6 | -37.4 | 175.3 | -176.5 | 171.5 | 168.6 | 0 | 0 | 111.8 | S515 H516 R522 E570 R577 Y587 | S515-E518 WeakPolarHBondContact O-CA 3.37Å; S515-E518 WeakPolarHBondContact O-CB 3.46Å; S515-E518 PolarHBondContact O-N 3.46Å; H516-E518 VanDerWaalsContact C-N 3.3Å; H516-E518 PolarHBondContact O-N 3.31Å; E518-R522 PolarHBondContact O-N 2.79Å; E518-R522 IonicContact OE1-CZ 3.68Å; E518-R522 IonicContact OE1-NH1 3.66Å; E518-R522 PolarHBondContact OE1-NH1 2.99Å; E518-R522 IonicContact OE1-NH2 2.65Å; E518-R522 PolarHBondContact OE1-NH2 3.11Å; E518-E570 VanDerWaalsContact OE1-CB 3.3Å; E518-E570 WeakPolarHBondContact OE1-CB 3.45Å; E518-R577 IonicContact OE2-CZ 3.23Å; E518-R577 VanDerWaalsContact OE2-CZ 3.23Å; E518-R577 IonicContact OE2-NH1 2.87Å; E518-R577 PolarHBondContact OE2-NH1 3.08Å; E518-R577 IonicContact OE2-NH2 2.72Å; E518-R577 PolarHBondContact OE2-NH2 2.96Å; E518-Y587 HydrophobicContact CB-CD1 3.95Å; E518-Y587 HydrophobicContact CB-CD2 3.57Å; E518-Y587 HydrophobicContact CB-CE1 4.2Å; E518-Y587 HydrophobicContact CB-CE2 3.85Å; E518-Y587 HydrophobicContact CB-CG 3.62Å; E518-Y587 HydrophobicContact CG-CD2 3.67Å; E518-Y587 HydrophobicContact CG-CE1 4.5Å; E518-Y587 HydrophobicContact CG-CE2 3.52Å; E518-Y587 HydrophobicContact CG-CG 4.24Å |
| 519 | L | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.2 | -55.3 | 172.8 | 175.9 | 57.3 | 0 | 0 | 0 | 111.1 | A358 F361 L362 W494 F514 S515 H516 C521 R522 M523 | A358-L519 HydrophobicContact CB-CD2 4.29Å; A358-L519 WeakPolarHBondContact O-CD1 3.23Å; F361-L519 HydrophobicContact CB-CD1 3.93Å; L362-L519 HydrophobicContact CD2-CB 4.19Å; L362-L519 HydrophobicContact CD2-CD1 4.01Å; L362-L519 HydrophobicContact CG-CD1 4.28Å; W494-L519 HydrophobicContact CH2-CD2 3.92Å; W494-L519 HydrophobicContact CZ3-CD2 3.81Å; F514-L519 HydrophobicContact CE2-CB 4.42Å; F514-L519 HydrophobicContact CE2-CD2 3.88Å; F514-L519 HydrophobicContact CZ-CD2 4.38Å; S515-L519 PolarHBondContact O-N 3.21Å; S515-L519 VanDerWaalsContact O-N 3.08Å; H516-L519 PolarHBondContact O-N 3.32Å; L519-C521 VanDerWaalsContact C-N 3.28Å; L519-C521 PolarHBondContact O-N 2.86Å; L519-R522 PolarHBondContact O-N 2.88Å; L519-M523 HydrophobicContact CD1-CG 4.09Å; L519-M523 HydrophobicContact CD1-SD 3.86Å; L519-M523 HydrophobicContact CG-SD 3.99Å; L519-M523 WeakPolarHBondContact O-CG 3.4Å; L519-M523 PolarHBondContact O-N 3.31Å |
| 520 | L | 95.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.8 | -44.3 | 176.9 | -69.9 | 172.7 | 0 | 0 | 0 | 111.9 | L495 H516 R522 M523 A524 I538 Q541 L545 | L495-L520 HydrophobicContact CD2-CD2 4.16Å; H516-L520 WeakPolarHBondContact O-CG 3.35Å; H516-L520 PolarHBondContact O-N 3.09Å; L520-R522 PolarHBondContact O-N 3.46Å; L520-M523 PolarHBondContact O-N 2.9Å; L520-A524 WeakPolarHBondContact O-CB 3.4Å; L520-A524 PolarHBondContact O-N 3.07Å; L520-I538 HydrophobicContact CD2-CB 4.4Å; L520-I538 HydrophobicContact CD2-CG1 4.12Å; L520-I538 HydrophobicContact CD2-CG2 4.13Å; L520-Q541 HydrophobicContact CD1-CB 3.95Å; L520-Q541 HydrophobicContact CD2-CB 4.32Å; L520-L545 HydrophobicContact CD1-CD1 4.11Å |
| 521 | C | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.2 | -23.1 | 178.8 | -67.1 | 0 | 0 | 0 | 0 | 114 | A517 L519 K525 Y587 Y622 | A517-C521 WeakPolarHBondContact O-CB 3.38Å; A517-C521 PolarHBondContact O-N 3.22Å; A517-C521 PolarHBondContact O-SG 3.07Å; L519-C521 VanDerWaalsContact C-N 3.28Å; L519-C521 PolarHBondContact O-N 2.86Å; C521-K525 WeakPolarHBondContact O-CD 3.42Å; C521-K525 VanDerWaalsContact O-CG 3.22Å; C521-K525 WeakPolarHBondContact O-CG 3.37Å; C521-Y587 HydrophobicContact CB-CE1 3.68Å; C521-Y622 HydrophobicContact CB-CE2 4.29Å |
| 522 | R | 94.2 | Very high | 90.4 | Very high | 69 Ų | 69 | 32.8 Ų | 32.8 | 26% | 0.26 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -75.3 | -44.5 | 169.7 | -85.3 | -159.4 | 178.5 | 82.1 | 6.6 | 111.5 | F361 E518 L519 L520 A524 K525 S526 | F361-R522 WeakPolarHBondContact O-CD 3.39Å; E518-R522 PolarHBondContact O-N 2.79Å; E518-R522 IonicContact OE1-CZ 3.68Å; E518-R522 IonicContact OE1-NH1 3.66Å; E518-R522 PolarHBondContact OE1-NH1 2.99Å; E518-R522 IonicContact OE1-NH2 2.65Å; E518-R522 PolarHBondContact OE1-NH2 3.11Å; L519-R522 PolarHBondContact O-N 2.88Å; L520-R522 PolarHBondContact O-N 3.46Å; R522-A524 PolarHBondContact O-N 2.99Å; R522-K525 CarbonylContact O-C 3.44Å; R522-K525 PolarHBondContact O-N 3.44Å; R522-S526 PolarHBondContact O-N 3.02Å; R522-S526 VanDerWaalsContact O-N 3.14Å |
| 523 | M | 94.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 177.3 | -59.7 | 173.4 | 90.5 | 0 | 0 | 111.1 | A358 F361 L519 L520 K525 S526 L530 F534 I538 | A358-M523 HydrophobicContact CB-CE 3.78Å; A358-M523 HydrophobicContact CB-SD 4.18Å; F361-M523 HydrophobicContact CB-CG 3.93Å; F361-M523 HydrophobicContact CD1-CG 4.41Å; F361-M523 HydrophobicContact CD2-CE 3.68Å; F361-M523 HydrophobicContact CD2-CG 3.56Å; F361-M523 HydrophobicContact CD2-SD 4.2Å; F361-M523 HydrophobicContact CE2-CE 3.73Å; F361-M523 HydrophobicContact CE2-CG 4.16Å; F361-M523 HydrophobicContact CG-CG 3.7Å; L519-M523 HydrophobicContact CD1-CG 4.09Å; L519-M523 HydrophobicContact CD1-SD 3.86Å; L519-M523 HydrophobicContact CG-SD 3.99Å; L519-M523 WeakPolarHBondContact O-CG 3.4Å; L519-M523 PolarHBondContact O-N 3.31Å; L520-M523 PolarHBondContact O-N 2.9Å; M523-K525 PolarHBondContact O-N 2.53Å; M523-S526 PolarHBondContact O-N 3.38Å; M523-S526 VanDerWaalsContact O-N 3.09Å; M523-S526 PolarHBondContact O-OG 2.7Å; M523-S526 VanDerWaalsContact O-OG 3.1Å; M523-L530 HydrophobicContact CB-CD1 4.37Å; M523-L530 HydrophobicContact CE-CD2 4.33Å; M523-F534 HydrophobicContact CE-CD1 3.58Å; M523-F534 HydrophobicContact CE-CE1 3.7Å; M523-F534 HydrophobicContact CE-CG 4.1Å; M523-F534 HydrophobicContact CE-CZ 4.31Å; M523-I538 HydrophobicContact CB-CD1 3.74Å; M523-I538 HydrophobicContact CE-CD1 3.68Å; M523-I538 HydrophobicContact CG-CD1 4.37Å; M523-I538 HydrophobicContact SD-CD1 3.83Å; M523-I538 HydrophobicContact SD-CG1 4.4Å |
| 524 | A | 94 | Very high | 90.4 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L520 R522 L542 F630 L634 | L520-A524 WeakPolarHBondContact O-CB 3.4Å; L520-A524 PolarHBondContact O-N 3.07Å; R522-A524 PolarHBondContact O-N 2.99Å; A524-L542 HydrophobicContact CB-CD2 4Å; A524-F630 HydrophobicContact CB-CB 4.25Å; A524-L634 HydrophobicContact CB-CD1 3.79Å |
| 525 | K | 92.4 | Very high | 90.4 | Very high | 108 Ų | 108 | 34.2 Ų | 34.2 | 47% | 0.47 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 7.3 | -179.5 | -64.7 | 171.7 | 70.6 | -164.5 | 0 | 113.4 | C521 R522 M523 Y622 F630 | C521-K525 WeakPolarHBondContact O-CD 3.42Å; C521-K525 VanDerWaalsContact O-CG 3.22Å; C521-K525 WeakPolarHBondContact O-CG 3.37Å; R522-K525 CarbonylContact O-C 3.44Å; R522-K525 PolarHBondContact O-N 3.44Å; M523-K525 PolarHBondContact O-N 2.53Å; K525-Y622 PolarHBondContact NZ-OH 3.4Å; K525-F630 HydrophobicContact CD-CD2 4.49Å; K525-F630 HydrophobicContact CD-CE1 4.28Å; K525-F630 HydrophobicContact CD-CE2 3.79Å; K525-F630 HydrophobicContact CD-CZ 3.68Å; K525-F630 HydrophobicContact CG-CD1 4.42Å; K525-F630 HydrophobicContact CG-CD2 4.38Å; K525-F630 HydrophobicContact CG-CE1 4.16Å; K525-F630 HydrophobicContact CG-CE2 4.12Å; K525-F630 HydrophobicContact CG-CZ 4.02Å |
| 526 | S | 88.2 | Confident | 90.4 | Very high | 20 Ų | 20 | 36.9 Ų | 36.9 | 14% | 0.14 | 20% | 0.199 | C | C | . | . | trans | -71.8 | 134.6 | 179.9 | 68.8 | 0 | 0 | 0 | 0 | 111.3 | R522 M523 E528 | R522-S526 PolarHBondContact O-N 3.02Å; R522-S526 VanDerWaalsContact O-N 3.14Å; M523-S526 PolarHBondContact O-N 3.38Å; M523-S526 VanDerWaalsContact O-N 3.09Å; M523-S526 PolarHBondContact O-OG 2.7Å; M523-S526 VanDerWaalsContact O-OG 3.1Å; S526-E528 VanDerWaalsContact C-N 3.3Å; S526-E528 PolarHBondContact OG-O 3.4Å | ||
| 527 | V | 77.8 | Confident | 90.3 | Very high | 152 Ų | 152 | 37.5 Ų | 37.5 | 92% | 0.921 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -74.3 | -25.7 | 161.1 | -93.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 528 | E | 77.2 | Confident | 90.3 | Very high | 96 Ų | 96 | 36.7 Ų | 36.7 | 45% | 0.449 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -58.2 | 135.3 | 168.2 | -73.2 | 171.1 | -130.1 | 0 | 0 | 110.7 | R360 F361 S526 | R360-E528 IonicContact CZ-OE2 3.01Å; R360-E528 IonicContact NH1-OE2 2.63Å; R360-E528 PolarHBondContact NH1-OE2 3.43Å; F361-E528 HydrophobicContact CE1-CB 4.39Å; S526-E528 VanDerWaalsContact C-N 3.3Å; S526-E528 PolarHBondContact OG-O 3.4Å |
| 529 | P | 78.5 | Confident | 90.3 | Very high | 52 Ų | 52 | 36.9 Ų | 36.9 | 34% | 0.338 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -65.7 | 136.9 | 174.3 | 27.7 | -32.9 | 0 | 0 | 0 | 110.5 | Q787 | P529-Q787 HydrophobicContact CB-CB 4.29Å; P529-Q787 HydrophobicContact CG-CB 4.32Å; P529-Q787 VanDerWaalsContact CG-CD 3.49Å; P529-Q787 HydrophobicContact CG-CG 4.23Å |
| 530 | L | 88.2 | Confident | 90.3 | Very high | 14 Ų | 14 | 42.2 Ų | 42.2 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -99.4 | 143.9 | 173.6 | -66.4 | 172.8 | 0 | 0 | 0 | 109 | F361 M523 F534 L535 I538 L634 | F361-L530 HydrophobicContact CE1-CD2 4.36Å; F361-L530 HydrophobicContact CE2-CD2 3.83Å; F361-L530 HydrophobicContact CZ-CD2 3.51Å; M523-L530 HydrophobicContact CB-CD1 4.37Å; M523-L530 HydrophobicContact CE-CD2 4.33Å; L530-F534 HydrophobicContact CB-CB 4.26Å; L530-L535 HydrophobicContact CB-CD2 3.87Å; L530-L535 HydrophobicContact CB-CG 3.94Å; L530-L535 HydrophobicContact CD1-CD2 4.07Å; L530-I538 HydrophobicContact CD1-CD1 3.95Å; L530-L634 HydrophobicContact CD1-CD2 4.22Å |
| 531 | S | 86.5 | Confident | 90.3 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 19% | 0.189 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 159.8 | 171.8 | 88.8 | 0 | 0 | 0 | 0 | 111 | E533 F534 L535 | S531-E533 WeakPolarHBondContact CB-OE2 3.35Å; S531-E533 PolarHBondContact O-N 2.8Å; S531-E533 PolarHBondContact OG-OE2 2.79Å; S531-F534 PolarHBondContact O-N 2.93Å; S531-F534 PolarHBondContact OG-N 3.5Å; S531-L535 WeakPolarHBondContact O-CG 3.37Å; S531-L535 PolarHBondContact O-N 2.86Å |
| 532 | V | 86.9 | Confident | 90.3 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -33.1 | -177.3 | 174 | 0 | 0 | 0 | 0 | 111.4 | L535 T536 L638 F641 P789 | V532-L535 PolarHBondContact O-N 3.31Å; V532-T536 WeakPolarHBondContact O-CB 3.12Å; V532-T536 PolarHBondContact O-N 2.9Å; V532-T536 PolarHBondContact O-OG1 3.3Å; V532-L638 HydrophobicContact CG1-CD1 4.48Å; V532-F641 HydrophobicContact CB-CE1 4.41Å; V532-F641 HydrophobicContact CG1-CD1 3.77Å; V532-F641 HydrophobicContact CG1-CE1 3.65Å; V532-F641 HydrophobicContact CG1-CG 4.48Å; V532-F641 HydrophobicContact CG1-CZ 4.29Å; V532-F641 HydrophobicContact CG2-CD1 3.88Å; V532-F641 HydrophobicContact CG2-CD2 3.78Å; V532-F641 HydrophobicContact CG2-CE1 3.95Å; V532-F641 HydrophobicContact CG2-CE2 3.86Å; V532-F641 HydrophobicContact CG2-CG 3.78Å; V532-F641 HydrophobicContact CG2-CZ 3.94Å; V532-P789 HydrophobicContact CB-CG 4.04Å; V532-P789 HydrophobicContact CG2-CG 3.6Å |
| 533 | E | 89.6 | Confident | 90.4 | Very high | 88 Ų | 88 | 39.5 Ų | 39.5 | 41% | 0.411 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.7 | -47.8 | 175.8 | -53.1 | 70.2 | -151.4 | 0 | 0 | 110 | A492 S531 T536 V537 | A492-E533 HydrophobicContact CB-CB 3.68Å; S531-E533 WeakPolarHBondContact CB-OE2 3.35Å; S531-E533 PolarHBondContact O-N 2.8Å; S531-E533 PolarHBondContact OG-OE2 2.79Å; E533-T536 PolarHBondContact O-N 3.42Å; E533-V537 WeakPolarHBondContact O-CG2 3.05Å; E533-V537 PolarHBondContact O-N 2.83Å; E533-V537 VanDerWaalsContact O-N 3.13Å |
| 534 | F | 93.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -48.1 | 173.5 | -82.3 | -55.8 | 0 | 0 | 0 | 112.4 | A358 A492 L495 M523 L530 S531 T536 V537 I538 | A358-F534 HydrophobicContact CB-CE1 3.92Å; A358-F534 HydrophobicContact CB-CZ 4.12Å; A492-F534 VanDerWaalsContact CA-CE1 3.42Å; A492-F534 HydrophobicContact CB-CD1 3.72Å; A492-F534 HydrophobicContact CB-CD2 4.44Å; A492-F534 HydrophobicContact CB-CE1 3.82Å; A492-F534 HydrophobicContact CB-CG 4.04Å; A492-F534 HydrophobicContact CB-CZ 4.25Å; L495-F534 HydrophobicContact CD1-CD1 3.79Å; L495-F534 HydrophobicContact CD1-CE1 4.04Å; M523-F534 HydrophobicContact CE-CD1 3.58Å; M523-F534 HydrophobicContact CE-CE1 3.7Å; M523-F534 HydrophobicContact CE-CG 4.1Å; M523-F534 HydrophobicContact CE-CZ 4.31Å; L530-F534 HydrophobicContact CB-CB 4.26Å; S531-F534 PolarHBondContact O-N 2.93Å; S531-F534 PolarHBondContact OG-N 3.5Å; F534-T536 PolarHBondContact O-N 3.37Å; F534-V537 PolarHBondContact O-N 2.92Å; F534-I538 HydrophobicContact CB-CD1 3.92Å; F534-I538 HydrophobicContact CD1-CD1 4.27Å; F534-I538 HydrophobicContact CG-CD1 4.49Å; F534-I538 VanDerWaalsContact O-CB 3.29Å; F534-I538 WeakPolarHBondContact O-CB 3.05Å; F534-I538 VanDerWaalsContact O-CD1 3.27Å; F534-I538 WeakPolarHBondContact O-CD1 3.03Å; F534-I538 WeakPolarHBondContact O-CG1 3.45Å; F534-I538 PolarHBondContact O-N 2.58Å |
| 535 | L | 92.1 | Very high | 90.4 | Very high | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.7 | -43.6 | 177.5 | -72 | 174.2 | 0 | 0 | 0 | 111.3 | L530 S531 V532 T539 L634 K637 L638 | L530-L535 HydrophobicContact CB-CD2 3.87Å; L530-L535 HydrophobicContact CB-CG 3.94Å; L530-L535 HydrophobicContact CD1-CD2 4.07Å; S531-L535 WeakPolarHBondContact O-CG 3.37Å; S531-L535 PolarHBondContact O-N 2.86Å; V532-L535 PolarHBondContact O-N 3.31Å; L535-T539 WeakPolarHBondContact O-CB 3.21Å; L535-T539 PolarHBondContact O-N 2.72Å; L535-T539 VanDerWaalsContact O-N 3.12Å; L535-T539 PolarHBondContact O-OG1 3.25Å; L535-L634 HydrophobicContact CD2-CD2 3.65Å; L535-K637 HydrophobicContact CD1-CB 4.19Å; L535-K637 HydrophobicContact CD2-CB 4.34Å; L535-K637 HydrophobicContact CD2-CD 4.18Å; L535-L638 HydrophobicContact CB-CD1 3.8Å |
| 536 | T | 92.3 | Very high | 90.6 | Very high | 66 Ų | 66 | 38.3 Ų | 38.3 | 41% | 0.405 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.4 | -55.3 | 179.6 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | V532 E533 F534 T539 K540 | V532-T536 WeakPolarHBondContact O-CB 3.12Å; V532-T536 PolarHBondContact O-N 2.9Å; V532-T536 PolarHBondContact O-OG1 3.3Å; E533-T536 PolarHBondContact O-N 3.42Å; F534-T536 PolarHBondContact O-N 3.37Å; T536-T539 PolarHBondContact O-N 2.87Å; T536-K540 PolarHBondContact O-N 2.72Å |
| 537 | V | 94.1 | Very high | 91 | Very high | 24 Ų | 24 | 41.6 Ų | 41.6 | 15% | 0.145 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.6 | -38.4 | -173.8 | -178.1 | 0 | 0 | 0 | 0 | 112 | L495 E496 E533 F534 K540 Q541 | L495-V537 HydrophobicContact CB-CG1 3.71Å; L495-V537 HydrophobicContact CD1-CB 4.27Å; L495-V537 HydrophobicContact CD1-CG1 4.02Å; E496-V537 HydrophobicContact CG-CG1 4.1Å; E533-V537 WeakPolarHBondContact O-CG2 3.05Å; E533-V537 PolarHBondContact O-N 2.83Å; E533-V537 VanDerWaalsContact O-N 3.13Å; F534-V537 PolarHBondContact O-N 2.92Å; V537-K540 PolarHBondContact O-N 3.34Å; V537-Q541 HydrophobicContact CG1-CG 4.43Å; V537-Q541 WeakPolarHBondContact O-CG 3.24Å; V537-Q541 PolarHBondContact O-N 2.73Å |
| 538 | I | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 178 | -61.5 | 161.8 | 0 | 0 | 0 | 110.4 | L495 L520 M523 L530 F534 K540 Q541 L542 L634 | L495-I538 HydrophobicContact CD1-CG1 3.81Å; L520-I538 HydrophobicContact CD2-CB 4.4Å; L520-I538 HydrophobicContact CD2-CG1 4.12Å; L520-I538 HydrophobicContact CD2-CG2 4.13Å; M523-I538 HydrophobicContact CB-CD1 3.74Å; M523-I538 HydrophobicContact CE-CD1 3.68Å; M523-I538 HydrophobicContact CG-CD1 4.37Å; M523-I538 HydrophobicContact SD-CD1 3.83Å; M523-I538 HydrophobicContact SD-CG1 4.4Å; L530-I538 HydrophobicContact CD1-CD1 3.95Å; F534-I538 HydrophobicContact CB-CD1 3.92Å; F534-I538 HydrophobicContact CD1-CD1 4.27Å; F534-I538 HydrophobicContact CG-CD1 4.49Å; F534-I538 VanDerWaalsContact O-CB 3.29Å; F534-I538 WeakPolarHBondContact O-CB 3.05Å; F534-I538 VanDerWaalsContact O-CD1 3.27Å; F534-I538 WeakPolarHBondContact O-CD1 3.03Å; F534-I538 WeakPolarHBondContact O-CG1 3.45Å; F534-I538 PolarHBondContact O-N 2.58Å; I538-K540 VanDerWaalsContact C-N 3.34Å; I538-K540 PolarHBondContact O-N 2.67Å; I538-Q541 PolarHBondContact O-N 3.38Å; I538-L542 WeakPolarHBondContact O-CB 3.33Å; I538-L542 PolarHBondContact O-N 3.39Å; I538-L634 HydrophobicContact CB-CD1 4.43Å; I538-L634 HydrophobicContact CG2-CD1 3.67Å |
| 539 | T | 95 | Very high | 92.7 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 9% | 0.086 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.6 | -45.1 | 177.2 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | L535 T536 G543 L634 Q635 | L535-T539 WeakPolarHBondContact O-CB 3.21Å; L535-T539 PolarHBondContact O-N 2.72Å; L535-T539 VanDerWaalsContact O-N 3.12Å; L535-T539 PolarHBondContact O-OG1 3.25Å; T536-T539 PolarHBondContact O-N 2.87Å; T539-G543 PolarHBondContact O-N 3.14Å; T539-L634 VanDerWaalsContact OG1-CB 3.32Å; T539-L634 WeakPolarHBondContact OG1-CB 3.2Å; T539-Q635 HydrophobicContact CG2-CG 3.44Å; T539-Q635 VanDerWaalsContact CG2-CG 3.44Å |
| 540 | K | 95.6 | Very high | 93.6 | Very high | 113 Ų | 113 | 35.2 Ų | 35.2 | 49% | 0.491 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.9 | -58.1 | 175.2 | 179.5 | -174.3 | 176.6 | -170.7 | 0 | 110.9 | E496 T536 V537 I538 L542 G543 D544 | E496-K540 WeakPolarHBondContact OE1-CE 3.35Å; E496-K540 IonicContact OE1-NZ 3.21Å; E496-K540 PolarHBondContact OE1-NZ 2.69Å; E496-K540 IonicContact OE2-NZ 3.29Å; T536-K540 PolarHBondContact O-N 2.72Å; V537-K540 PolarHBondContact O-N 3.34Å; I538-K540 VanDerWaalsContact C-N 3.34Å; I538-K540 PolarHBondContact O-N 2.67Å; K540-L542 PolarHBondContact O-N 3.43Å; K540-G543 PolarHBondContact O-N 3.22Å; K540-G543 VanDerWaalsContact O-N 3.11Å; K540-D544 PolarHBondContact O-N 3.4Å; K540-D544 VanDerWaalsContact O-N 3.14Å |
| 541 | Q | 96.1 | Very high | 94 | Very high | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.023 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66 | -34.8 | -175.3 | -67.8 | -165.4 | 16.4 | 0 | 0 | 113.7 | L495 H516 L520 V537 I538 G543 D544 L545 | L495-Q541 PolarHBondContact O-NE2 2.79Å; L495-Q541 PolarHBondContact O-OE1 2.85Å; H516-Q541 PolarHBondContact NE2-OE1 2.71Å; L520-Q541 HydrophobicContact CD1-CB 3.95Å; L520-Q541 HydrophobicContact CD2-CB 4.32Å; V537-Q541 HydrophobicContact CG1-CG 4.43Å; V537-Q541 WeakPolarHBondContact O-CG 3.24Å; V537-Q541 PolarHBondContact O-N 2.73Å; I538-Q541 PolarHBondContact O-N 3.38Å; Q541-G543 VanDerWaalsContact C-N 3.28Å; Q541-G543 PolarHBondContact O-N 3.12Å; Q541-D544 PolarHBondContact O-N 3.12Å; Q541-L545 WeakPolarHBondContact O-CB 3.25Å; Q541-L545 PolarHBondContact O-N 2.83Å |
| 542 | L | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.1 | -31.7 | 175.9 | -167.8 | 65.8 | 0 | 0 | 0 | 111.4 | A524 I538 K540 L545 L546 F630 K631 L634 | A524-L542 HydrophobicContact CB-CD2 4Å; I538-L542 WeakPolarHBondContact O-CB 3.33Å; I538-L542 PolarHBondContact O-N 3.39Å; K540-L542 PolarHBondContact O-N 3.43Å; L542-L545 HydrophobicContact CD1-CD1 4.45Å; L542-L545 HydrophobicContact CD1-CD2 4.23Å; L542-L546 WeakPolarHBondContact O-CB 3.39Å; L542-L546 PolarHBondContact O-N 2.91Å; L542-F630 HydrophobicContact CD2-CB 3.83Å; L542-K631 HydrophobicContact CD2-CB 4.18Å; L542-L634 HydrophobicContact CD2-CD1 4.21Å |
| 543 | G | 95.4 | Very high | 95 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -45.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113.8 | T539 K540 Q541 L545 L546 T547 | T539-G543 PolarHBondContact O-N 3.14Å; K540-G543 PolarHBondContact O-N 3.22Å; K540-G543 VanDerWaalsContact O-N 3.11Å; Q541-G543 VanDerWaalsContact C-N 3.28Å; Q541-G543 PolarHBondContact O-N 3.12Å; G543-L545 VanDerWaalsContact C-N 3.34Å; G543-L546 PolarHBondContact O-N 3.25Å; G543-T547 WeakPolarHBondContact O-CB 3.36Å; G543-T547 PolarHBondContact O-N 3.35Å; G543-T547 PolarHBondContact O-OG1 3.41Å |
| 544 | D | 95.2 | Very high | 95.3 | Very high | 64 Ų | 64 | 42 Ų | 42 | 34% | 0.342 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 176.1 | -68.4 | -7.2 | 0 | 0 | 0 | 111.6 | R499 K540 Q541 T547 T548 | R499-D544 IonicContact CZ-OD2 2.7Å; R499-D544 IonicContact NH1-OD2 2.6Å; R499-D544 PolarHBondContact NH1-OD2 3.18Å; K540-D544 PolarHBondContact O-N 3.4Å; K540-D544 VanDerWaalsContact O-N 3.14Å; Q541-D544 PolarHBondContact O-N 3.12Å; D544-T547 PolarHBondContact O-N 3.48Å; D544-T548 WeakPolarHBondContact O-CB 3.23Å; D544-T548 PolarHBondContact O-N 3.23Å; D544-T548 PolarHBondContact O-OG1 3.46Å |
| 545 | L | 94 | Very high | 95.4 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.131 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.9 | -48.7 | 176.4 | 175.7 | 163.4 | 0 | 0 | 0 | 111.2 | A517 L520 Q541 L542 G543 T547 T548 E549 L588 | A517-L545 HydrophobicContact CB-CD1 3.92Å; L520-L545 HydrophobicContact CD1-CD1 4.11Å; Q541-L545 WeakPolarHBondContact O-CB 3.25Å; Q541-L545 PolarHBondContact O-N 2.83Å; L542-L545 HydrophobicContact CD1-CD1 4.45Å; L542-L545 HydrophobicContact CD1-CD2 4.23Å; G543-L545 VanDerWaalsContact C-N 3.34Å; L545-T547 VanDerWaalsContact C-N 3.31Å; L545-T547 PolarHBondContact O-N 3.19Å; L545-T548 PolarHBondContact O-N 2.77Å; L545-E549 VanDerWaalsContact O-CB 3.25Å; L545-E549 WeakPolarHBondContact O-CB 3.05Å; L545-E549 PolarHBondContact O-N 2.7Å; L545-L588 HydrophobicContact CD1-CD1 3.98Å; L545-L588 HydrophobicContact CD2-CD1 3.43Å; L545-L588 VanDerWaalsContact CD2-CD1 3.43Å; L545-L588 HydrophobicContact CD2-CD2 3.91Å; L545-L588 HydrophobicContact CD2-CG 4.32Å; L545-L588 HydrophobicContact CG-CD1 3.57Å |
| 546 | L | 95.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.7 | -42.9 | 174.8 | 170.9 | 61.3 | 0 | 0 | 0 | 111.4 | L542 G543 R550 L624 L627 T628 K631 | L542-L546 WeakPolarHBondContact O-CB 3.39Å; L542-L546 PolarHBondContact O-N 2.91Å; G543-L546 PolarHBondContact O-N 3.25Å; L546-R550 WeakPolarHBondContact O-CB 3.41Å; L546-R550 PolarHBondContact O-N 2.9Å; L546-L624 HydrophobicContact CD1-CB 4.46Å; L546-L624 HydrophobicContact CD1-CD2 4.12Å; L546-L627 HydrophobicContact CD1-CB 3.89Å; L546-T628 WeakPolarHBondContact CD2-OG1 3.26Å; L546-K631 HydrophobicContact CD2-CD 4.38Å |
| 547 | T | 96.8 | Very high | 95.6 | Very high | 88 Ų | 88 | 43.4 Ų | 43.4 | 54% | 0.54 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 179.7 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | G543 D544 L545 S551 | G543-T547 WeakPolarHBondContact O-CB 3.36Å; G543-T547 PolarHBondContact O-N 3.35Å; G543-T547 PolarHBondContact O-OG1 3.41Å; D544-T547 PolarHBondContact O-N 3.48Å; L545-T547 VanDerWaalsContact C-N 3.31Å; L545-T547 PolarHBondContact O-N 3.19Å; T547-S551 WeakPolarHBondContact O-CB 3.36Å; T547-S551 PolarHBondContact O-N 2.93Å |
| 548 | T | 95 | Very high | 95.5 | Very high | 75 Ų | 75 | 51.4 Ų | 51.4 | 46% | 0.46 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 177.1 | -57 | 0 | 0 | 0 | 0 | 111.3 | D544 L545 S551 L552 | D544-T548 WeakPolarHBondContact O-CB 3.23Å; D544-T548 PolarHBondContact O-N 3.23Å; D544-T548 PolarHBondContact O-OG1 3.46Å; L545-T548 PolarHBondContact O-N 2.77Å; T548-S551 WeakPolarHBondContact O-CB 3.11Å; T548-S551 PolarHBondContact O-N 3.37Å; T548-L552 HydrophobicContact CG2-CD1 4Å; T548-L552 WeakPolarHBondContact O-CG 3.2Å; T548-L552 PolarHBondContact O-N 3.19Å |
| 549 | E | 95.9 | Very high | 95.4 | Very high | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 178.5 | -177.2 | 68 | 176.8 | 0 | 0 | 111.6 | L545 S551 L552 R553 S589 L624 | L545-E549 VanDerWaalsContact O-CB 3.25Å; L545-E549 WeakPolarHBondContact O-CB 3.05Å; L545-E549 PolarHBondContact O-N 2.7Å; E549-S551 VanDerWaalsContact C-N 3.29Å; E549-S551 PolarHBondContact O-N 3.22Å; E549-L552 PolarHBondContact O-N 3.04Å; E549-R553 HydrophobicContact CG-CG 4.48Å; E549-R553 WeakPolarHBondContact O-CB 3.08Å; E549-R553 WeakPolarHBondContact O-CG 3.3Å; E549-R553 PolarHBondContact O-N 3.35Å; E549-R553 IonicContact OE1-CZ 2.65Å; E549-R553 IonicContact OE1-NE 3.94Å; E549-R553 PolarHBondContact OE1-NE 2.84Å; E549-R553 IonicContact OE1-NH2 2.73Å; E549-R553 PolarHBondContact OE1-NH2 2.71Å; E549-S589 VanDerWaalsContact CD-OG 3.27Å; E549-S589 WeakPolarHBondContact OE1-CB 3.18Å; E549-S589 PolarHBondContact OE1-OG 3.37Å; E549-S589 PolarHBondContact OE2-OG 3.01Å; E549-S589 VanDerWaalsContact OE2-OG 3.07Å; E549-L624 HydrophobicContact CG-CD2 4.24Å |
| 550 | R | 97.2 | Very high | 95.2 | Very high | 82 Ų | 82 | 54.4 Ų | 54.4 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.7 | -41.8 | 173.9 | 178.9 | -179.7 | -68.6 | -170.5 | -3.5 | 111.5 | L546 R554 L624 | L546-R550 WeakPolarHBondContact O-CB 3.41Å; L546-R550 PolarHBondContact O-N 2.9Å; R550-R554 WeakPolarHBondContact O-CB 3.41Å; R550-R554 WeakPolarHBondContact O-CD 2.97Å; R550-R554 WeakPolarHBondContact O-CG 3.31Å; R550-R554 PolarHBondContact O-N 3.45Å; R550-L624 HydrophobicContact CB-CD1 4.15Å; R550-L624 HydrophobicContact CB-CD2 4.16Å; R550-L624 HydrophobicContact CG-CD1 4.05Å |
| 551 | S | 97.5 | Very high | 95.2 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 51% | 0.51 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.1 | -49.9 | 176.6 | -169.8 | 0 | 0 | 0 | 0 | 112.2 | T547 T548 E549 R554 H555 | T547-S551 WeakPolarHBondContact O-CB 3.36Å; T547-S551 PolarHBondContact O-N 2.93Å; T548-S551 WeakPolarHBondContact O-CB 3.11Å; T548-S551 PolarHBondContact O-N 3.37Å; E549-S551 VanDerWaalsContact C-N 3.29Å; E549-S551 PolarHBondContact O-N 3.22Å; S551-R554 PolarHBondContact O-N 2.91Å; S551-H555 PolarHBondContact O-N 3.11Å |
| 552 | L | 97.3 | Very high | 94.9 | Very high | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.4 | -41.6 | -177.9 | -70.1 | 170.1 | 0 | 0 | 0 | 112.7 | T548 E549 H555 L556 L602 | T548-L552 HydrophobicContact CG2-CD1 4Å; T548-L552 WeakPolarHBondContact O-CG 3.2Å; T548-L552 PolarHBondContact O-N 3.19Å; E549-L552 PolarHBondContact O-N 3.04Å; L552-H555 PolarHBondContact O-N 3.43Å; L552-L556 WeakPolarHBondContact O-CG 3.33Å; L552-L556 PolarHBondContact O-N 3.1Å; L552-L602 HydrophobicContact CB-CB 3.81Å; L552-L602 HydrophobicContact CB-CD1 4.01Å; L552-L602 HydrophobicContact CD1-CB 4.16Å; L552-L602 HydrophobicContact CG-CB 4.41Å |
| 553 | R | 96.9 | Very high | 94.8 | Very high | 26 Ų | 26 | 58.9 Ų | 58.9 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 174.1 | -66.4 | -170.4 | -170.8 | 177.6 | 9.7 | 111.9 | E549 H555 L556 A557 L602 M618 Y622 | E549-R553 HydrophobicContact CG-CG 4.48Å; E549-R553 WeakPolarHBondContact O-CB 3.08Å; E549-R553 WeakPolarHBondContact O-CG 3.3Å; E549-R553 PolarHBondContact O-N 3.35Å; E549-R553 IonicContact OE1-CZ 2.65Å; E549-R553 IonicContact OE1-NE 3.94Å; E549-R553 PolarHBondContact OE1-NE 2.84Å; E549-R553 IonicContact OE1-NH2 2.73Å; E549-R553 PolarHBondContact OE1-NH2 2.71Å; R553-H555 VanDerWaalsContact C-N 3.32Å; R553-H555 PolarHBondContact O-N 3.47Å; R553-L556 PolarHBondContact O-N 3.37Å; R553-A557 PolarHBondContact O-N 3.49Å; R553-L602 HydrophobicContact CG-CD1 3.83Å; R553-M618 HydrophobicContact CB-SD 4.06Å; R553-M618 HydrophobicContact CG-CE 4.27Å; R553-M618 HydrophobicContact CG-SD 3.66Å; R553-Y622 VanDerWaalsContact CZ-O 3.31Å; R553-Y622 PolarHBondContact NH1-O 2.98Å; R553-Y622 PolarHBondContact NH2-O 3.45Å |
| 554 | R | 96 | Very high | 94.8 | Very high | 146 Ų | 146 | 62.1 Ų | 62.1 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.1 | -40.2 | 174.2 | -76.7 | 170.9 | 174.8 | -177.4 | -4.9 | 111.8 | R550 S551 A557 R558 | R550-R554 WeakPolarHBondContact O-CB 3.41Å; R550-R554 WeakPolarHBondContact O-CD 2.97Å; R550-R554 WeakPolarHBondContact O-CG 3.31Å; R550-R554 PolarHBondContact O-N 3.45Å; S551-R554 PolarHBondContact O-N 2.91Å; R554-A557 PolarHBondContact O-N 2.85Å; R554-R558 WeakPolarHBondContact O-CG 3.45Å; R554-R558 PolarHBondContact O-N 3.25Å |
| 555 | H | 95.8 | Very high | 94.7 | Very high | 61 Ų | 61 | 60.7 Ų | 60.7 | 28% | 0.282 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 177.1 | -172.4 | 64.9 | 0 | 0 | 0 | 112.7 | S551 L552 R553 A557 R558 I559 Y605 | S551-H555 PolarHBondContact O-N 3.11Å; L552-H555 PolarHBondContact O-N 3.43Å; R553-H555 VanDerWaalsContact C-N 3.32Å; R553-H555 PolarHBondContact O-N 3.47Å; H555-A557 VanDerWaalsContact C-N 3.29Å; H555-A557 PolarHBondContact O-N 2.77Å; H555-R558 WeakPolarHBondContact O-CB 3.41Å; H555-R558 PolarHBondContact O-N 2.71Å; H555-R558 VanDerWaalsContact O-N 3.1Å; H555-I559 PolarHBondContact O-N 2.87Å; H555-I559 VanDerWaalsContact O-N 3.08Å; H555-Y605 AromaticContact CD2-CE1 3.76Å; H555-Y605 AromaticContact CD2-CZ 3.72Å; H555-Y605 AromaticContact NE2-CE1 3.81Å; H555-Y605 AromaticContact NE2-CE2 3.99Å; H555-Y605 AromaticContact NE2-CZ 3.33Å; H555-Y605 VanDerWaalsContact NE2-CZ 3.33Å; H555-Y605 PolarHBondContact NE2-OH 2.94Å |
| 556 | L | 94.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 174.8 | -73.1 | 177.2 | 0 | 0 | 0 | 112.4 | L552 R553 I559 G560 V561 L591 L602 Y605 M618 | L552-L556 WeakPolarHBondContact O-CG 3.33Å; L552-L556 PolarHBondContact O-N 3.1Å; R553-L556 PolarHBondContact O-N 3.37Å; L556-I559 HydrophobicContact CD2-CD1 4.03Å; L556-I559 WeakPolarHBondContact O-CG1 3.26Å; L556-I559 PolarHBondContact O-N 3.27Å; L556-G560 PolarHBondContact O-N 2.93Å; L556-V561 HydrophobicContact CB-CB 4.28Å; L556-V561 HydrophobicContact CB-CG2 4.44Å; L556-V561 HydrophobicContact CD2-CG2 4.22Å; L556-V561 WeakPolarHBondContact O-CB 3.41Å; L556-V561 PolarHBondContact O-N 3.41Å; L556-L591 HydrophobicContact CD1-CD1 4.46Å; L556-L591 HydrophobicContact CD2-CD2 4.13Å; L556-L602 HydrophobicContact CD1-CB 3.97Å; L556-L602 HydrophobicContact CD1-CD1 3.99Å; L556-L602 HydrophobicContact CD1-CD2 3.65Å; L556-L602 HydrophobicContact CD1-CG 4.05Å; L556-Y605 HydrophobicContact CD2-CD2 4.32Å; L556-Y605 HydrophobicContact CD2-CG 3.96Å; L556-M618 HydrophobicContact CD1-CG 4.16Å; L556-M618 HydrophobicContact CD1-SD 4.45Å |
| 557 | A | 93.1 | Very high | 94.7 | Very high | 42 Ų | 42 | 62.2 Ų | 62.2 | 35% | 0.347 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R553 R554 H555 I559 G560 R562 | R553-A557 PolarHBondContact O-N 3.49Å; R554-A557 PolarHBondContact O-N 2.85Å; H555-A557 VanDerWaalsContact C-N 3.29Å; H555-A557 PolarHBondContact O-N 2.77Å; A557-I559 PolarHBondContact O-N 3.41Å; A557-G560 PolarHBondContact O-N 3.48Å; A557-R562 PolarHBondContact O-NH1 3.43Å; A557-R562 PolarHBondContact O-NH2 3.25Å |
| 558 | R | 93.2 | Very high | 94.5 | Very high | 193 Ų | 193 | 60.2 Ų | 60.2 | 73% | 0.728 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 176.1 | -72.5 | 172.2 | -174.7 | 153.4 | -3.6 | 112.5 | R554 H555 G560 | R554-R558 WeakPolarHBondContact O-CG 3.45Å; R554-R558 PolarHBondContact O-N 3.25Å; H555-R558 WeakPolarHBondContact O-CB 3.41Å; H555-R558 PolarHBondContact O-N 2.71Å; H555-R558 VanDerWaalsContact O-N 3.1Å; R558-G560 PolarHBondContact O-N 2.86Å |
| 559 | I | 92.8 | Very high | 94.4 | Very high | 53 Ų | 53 | 56.6 Ų | 56.6 | 27% | 0.272 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 12 | 179.9 | 70.9 | 173.8 | 0 | 0 | 0 | 114.5 | H555 L556 A557 V561 Y605 R613 | H555-I559 PolarHBondContact O-N 2.87Å; H555-I559 VanDerWaalsContact O-N 3.08Å; L556-I559 HydrophobicContact CD2-CD1 4.03Å; L556-I559 WeakPolarHBondContact O-CG1 3.26Å; L556-I559 PolarHBondContact O-N 3.27Å; A557-I559 PolarHBondContact O-N 3.41Å; I559-V561 HydrophobicContact CG1-CG2 4.43Å; I559-Y605 HydrophobicContact CD1-CD2 3.3Å; I559-Y605 HydrophobicContact CD1-CE2 3.37Å; I559-Y605 HydrophobicContact CD1-CG 4.28Å; I559-R613 WeakPolarHBondContact O-CB 3.45Å; I559-R613 WeakPolarHBondContact O-CG 3.44Å |
| 560 | G | 90.9 | Very high | 94.1 | Very high | 23 Ų | 23 | 57.7 Ų | 57.7 | 24% | 0.237 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 12.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L556 A557 R558 R562 R613 D614 | L556-G560 PolarHBondContact O-N 2.93Å; A557-G560 PolarHBondContact O-N 3.48Å; R558-G560 PolarHBondContact O-N 2.86Å; G560-R562 PolarHBondContact O-N 3.48Å; G560-R613 CarbonylContact O-C 3.47Å; G560-D614 PolarHBondContact O-N 2.63Å |
| 561 | V | 94.2 | Very high | 93.6 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 6% | 0.055 | 30% | 0.296 | C | S | . | . | trans | -72.6 | 125.1 | 164.9 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | L556 I559 L591 R613 Q616 M618 | L556-V561 HydrophobicContact CB-CB 4.28Å; L556-V561 HydrophobicContact CB-CG2 4.44Å; L556-V561 HydrophobicContact CD2-CG2 4.22Å; L556-V561 WeakPolarHBondContact O-CB 3.41Å; L556-V561 PolarHBondContact O-N 3.41Å; I559-V561 HydrophobicContact CG1-CG2 4.43Å; V561-L591 HydrophobicContact CG1-CD1 4.08Å; V561-L591 HydrophobicContact CG2-CD1 4.34Å; V561-R613 HydrophobicContact CG2-CB 4.36Å; V561-Q616 HydrophobicContact CG2-CB 4.48Å; V561-M618 HydrophobicContact CG1-CB 4.34Å | ||
| 562 | R | 90.2 | Very high | 93 | Very high | 164 Ų | 164 | 58.2 Ų | 58.2 | 62% | 0.619 | 28% | 0.282 | S | S | * | . | trans | -123.8 | -32.3 | -173.8 | -70.1 | -77 | 172.8 | -89.5 | -0.9 | 113.4 | A557 G560 | A557-R562 PolarHBondContact O-NH1 3.43Å; A557-R562 PolarHBondContact O-NH2 3.25Å; G560-R562 PolarHBondContact O-N 3.48Å | ||
| 563 | L | 93.5 | Very high | 92.3 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 131.6 | 177.9 | -60.1 | 173.7 | 0 | 0 | 0 | 110.7 | I617 M618 | L563-I617 HydrophobicContact CB-CB 4.47Å; L563-I617 HydrophobicContact CB-CG1 4.2Å; L563-I617 HydrophobicContact CB-CG2 4.39Å; L563-I617 HydrophobicContact CD1-CG1 4.28Å; L563-I617 WeakPolarHBondContact O-CA 3.23Å; L563-M618 PolarHBondContact O-N 3.35Å |
| 564 | T | 95.2 | Very high | 91.6 | Very high | 78 Ų | 78 | 59.5 Ų | 59.5 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 150 | 174.9 | 66.7 | 0 | 0 | 0 | 0 | 110.3 | M618 | T564-M618 VanDerWaalsContact CA-O 3.25Å; T564-M618 WeakPolarHBondContact CA-O 3.44Å; T564-M618 HydrophobicContact CG2-CB 4.41Å; T564-M618 HydrophobicContact CG2-CE 3.76Å |
| 565 | E | 93.8 | Very high | 91 | Very high | 34 Ų | 34 | 56 Ų | 56 | 16% | 0.159 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 128.8 | -176.5 | 171.2 | 176.8 | -161.5 | 0 | 0 | 109.9 | M567 I617 M618 R619 Y620 | E565-M567 PolarHBondContact O-N 2.96Å; E565-I617 HydrophobicContact CB-CG2 3.64Å; E565-M618 PolarHBondContact N-O 3.1Å; E565-M618 VanDerWaalsContact N-O 3.1Å; E565-R619 HydrophobicContact CB-CG 4.27Å; E565-R619 CarbonylContact O-C 3.58Å; E565-R619 WeakPolarHBondContact O-CA 3.35Å; E565-R619 IonicContact OE2-CZ 2.65Å; E565-R619 VanDerWaalsContact OE2-CZ 3.23Å; E565-R619 IonicContact OE2-NE 2.73Å; E565-R619 PolarHBondContact OE2-NE 3.44Å; E565-R619 IonicContact OE2-NH2 3.3Å; E565-R619 PolarHBondContact OE2-NH2 3.19Å; E565-Y620 WeakPolarHBondContact O-CD1 3.46Å; E565-Y620 PolarHBondContact O-N 2.83Å |
| 566 | R | 96.4 | Very high | 90.5 | Very high | 30 Ų | 30 | 59.2 Ų | 59.2 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 111.6 | -177.8 | -149.1 | -175.4 | -129.9 | -106.7 | 14.2 | 110.3 | Y620 D623 E626 T2334 K2335 | R566-Y620 CarbonylContact C-O 3.53Å; R566-Y620 VanDerWaalsContact CA-O 3.3Å; R566-Y620 WeakPolarHBondContact CA-O 3.41Å; R566-Y620 HydrophobicContact CB-CE1 4.26Å; R566-Y620 HydrophobicContact CB-CE2 4.41Å; R566-Y620 HydrophobicContact CG-CD2 4.16Å; R566-Y620 HydrophobicContact CG-CE1 4.49Å; R566-Y620 HydrophobicContact CG-CE2 3.79Å; R566-D623 IonicContact CZ-OD2 2.73Å; R566-D623 IonicContact NH2-OD1 2.68Å; R566-D623 IonicContact NH2-OD2 3.12Å; R566-D623 PolarHBondContact NH2-OD2 3.4Å; R566-E626 IonicContact CZ-OE1 3.25Å; R566-E626 IonicContact CZ-OE2 2.71Å; R566-E626 IonicContact NH1-OE1 2.68Å; R566-E626 PolarHBondContact NH1-OE1 3.43Å; R566-E626 IonicContact NH1-OE2 2.69Å; R566-E626 PolarHBondContact NH1-OE2 2.93Å; R566-E626 IonicContact NH2-OE1 2.95Å; R566-E626 PolarHBondContact NH2-OE1 3.5Å; R566-E626 IonicContact NH2-OE2 3.26Å; R566-E626 PolarHBondContact NH2-OE2 2.91Å; R566-T2334 PolarHBondContact O-OG1 3.34Å; R566-K2335 VanDerWaalsContact CD-CD 3.5Å; R566-K2335 HydrophobicContact CG-CD 4.17Å |
| 567 | M | 92.8 | Very high | 90.4 | Very high | 36 Ų | 36 | 59.5 Ų | 59.5 | 18% | 0.177 | 29% | 0.293 | C | S | . | . | trans | -113 | 142.3 | -173.6 | -179 | 173.8 | -179.4 | 0 | 0 | 111.8 | E565 F569 S572 M599 R619 Y620 R621 | E565-M567 PolarHBondContact O-N 2.96Å; M567-F569 HydrophobicContact CB-CD2 4.11Å; M567-F569 HydrophobicContact CB-CE2 3.77Å; M567-F569 HydrophobicContact CB-CZ 4.33Å; M567-F569 HydrophobicContact CE-CD1 4.48Å; M567-F569 HydrophobicContact CG-CD2 4.02Å; M567-F569 HydrophobicContact CG-CE2 4.02Å; M567-F569 HydrophobicContact CG-CG 4.42Å; M567-F569 HydrophobicContact CG-CZ 4.39Å; M567-F569 HydrophobicContact SD-CD1 4.29Å; M567-F569 HydrophobicContact SD-CD2 4.47Å; M567-F569 HydrophobicContact SD-CE1 4.02Å; M567-F569 HydrophobicContact SD-CE2 4.23Å; M567-F569 HydrophobicContact SD-CZ 3.99Å; M567-S572 WeakPolarHBondContact CE-OG 3.3Å; M567-M599 HydrophobicContact CE-CE 4.13Å; M567-M599 HydrophobicContact CE-SD 4.49Å; M567-M599 HydrophobicContact SD-SD 4.16Å; M567-R619 HydrophobicContact CB-CB 4.2Å; M567-R619 HydrophobicContact SD-CB 4.44Å; M567-Y620 PolarHBondContact N-O 2.81Å; M567-R621 WeakPolarHBondContact O-CA 3.3Å; M567-R621 WeakPolarHBondContact O-CD 3.37Å | ||
| 568 | V | 93.2 | Very high | 90.4 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | trans | -99.5 | 92.9 | 172.7 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | E570 N571 | V568-E570 VanDerWaalsContact CG1-CD 3.5Å; V568-E570 HydrophobicContact CG1-CG 3.9Å; V568-E570 VanDerWaalsContact CG1-OE2 3.3Å; V568-E570 WeakPolarHBondContact CG1-OE2 3.16Å; V568-N571 HydrophobicContact CG1-CB 4.1Å; V568-N571 WeakPolarHBondContact CG1-OD1 3.3Å; V568-N571 PolarHBondContact O-N 2.83Å | ||
| 569 | F | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -68.1 | -35.4 | -172.5 | -73.5 | -103 | 0 | 0 | 0 | 112.2 | M567 N571 S572 R577 L586 Y587 R619 R621 | M567-F569 HydrophobicContact CB-CD2 4.11Å; M567-F569 HydrophobicContact CB-CE2 3.77Å; M567-F569 HydrophobicContact CB-CZ 4.33Å; M567-F569 HydrophobicContact CE-CD1 4.48Å; M567-F569 HydrophobicContact CG-CD2 4.02Å; M567-F569 HydrophobicContact CG-CE2 4.02Å; M567-F569 HydrophobicContact CG-CG 4.42Å; M567-F569 HydrophobicContact CG-CZ 4.39Å; M567-F569 HydrophobicContact SD-CD1 4.29Å; M567-F569 HydrophobicContact SD-CD2 4.47Å; M567-F569 HydrophobicContact SD-CE1 4.02Å; M567-F569 HydrophobicContact SD-CE2 4.23Å; M567-F569 HydrophobicContact SD-CZ 3.99Å; F569-N571 PolarHBondContact O-N 2.82Å; F569-N571 VanDerWaalsContact O-N 3.17Å; F569-S572 WeakPolarHBondContact O-CB 3.35Å; F569-S572 PolarHBondContact O-N 3.35Å; F569-R577 HydrophobicContact CD1-CB 4.4Å; F569-R577 WeakPolarHBondContact O-CD 3.36Å; F569-L586 HydrophobicContact CD1-CB 3.93Å; F569-L586 WeakPolarHBondContact CD1-O 3.49Å; F569-L586 HydrophobicContact CE1-CB 3.8Å; F569-Y587 HydrophobicContact CB-CD2 4.22Å; F569-Y587 WeakPolarHBondContact CD2-O 3.13Å; F569-R619 HydrophobicContact CZ-CB 4.11Å; F569-R621 HydrophobicContact CD2-CB 3.86Å; F569-R621 HydrophobicContact CE2-CB 4.19Å |
| 570 | E | 88.6 | Confident | 90.4 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -65.1 | -16.3 | 179.4 | 62.4 | -91.1 | -127.2 | 0 | 0 | 114.1 | E518 V568 S572 Y587 R621 | E518-E570 VanDerWaalsContact OE1-CB 3.3Å; E518-E570 WeakPolarHBondContact OE1-CB 3.45Å; V568-E570 VanDerWaalsContact CG1-CD 3.5Å; V568-E570 HydrophobicContact CG1-CG 3.9Å; V568-E570 VanDerWaalsContact CG1-OE2 3.3Å; V568-E570 WeakPolarHBondContact CG1-OE2 3.16Å; E570-S572 VanDerWaalsContact C-N 3.31Å; E570-Y587 HydrophobicContact CB-CE2 4.27Å; E570-R621 VanDerWaalsContact CD-NE 3.25Å; E570-R621 IonicContact OE1-CZ 3.7Å; E570-R621 VanDerWaalsContact OE1-CZ 3.23Å; E570-R621 IonicContact OE1-NE 2.74Å; E570-R621 PolarHBondContact OE1-NE 2.88Å; E570-R621 IonicContact OE1-NH2 2.69Å; E570-R621 PolarHBondContact OE1-NH2 3.32Å; E570-R621 VanDerWaalsContact OE2-CD 3.29Å; E570-R621 WeakPolarHBondContact OE2-CD 3.18Å; E570-R621 IonicContact OE2-CZ 3.39Å; E570-R621 IonicContact OE2-NE 3.76Å; E570-R621 PolarHBondContact OE2-NE 2.75Å; E570-R621 IonicContact OE2-NH2 3.6Å |
| 571 | N | 87.1 | Confident | 90.3 | Very high | 136 Ų | 136 | 51.3 Ų | 51.3 | 73% | 0.727 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -88.1 | 2.4 | 172.8 | -67.7 | 16.3 | 0 | 0 | 0 | 112.7 | V568 F569 | V568-N571 HydrophobicContact CG1-CB 4.1Å; V568-N571 WeakPolarHBondContact CG1-OD1 3.3Å; V568-N571 PolarHBondContact O-N 2.83Å; F569-N571 PolarHBondContact O-N 2.82Å; F569-N571 VanDerWaalsContact O-N 3.17Å |
| 572 | S | 84.5 | Confident | 90.2 | Very high | 29 Ų | 29 | 51 Ų | 51 | 20% | 0.203 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -108.9 | 139.1 | 176.4 | -54.9 | 0 | 0 | 0 | 0 | 110.1 | M567 F569 E570 R577 | M567-S572 WeakPolarHBondContact CE-OG 3.3Å; F569-S572 WeakPolarHBondContact O-CB 3.35Å; F569-S572 PolarHBondContact O-N 3.35Å; E570-S572 VanDerWaalsContact C-N 3.31Å; S572-R577 WeakPolarHBondContact O-CD 3.48Å; S572-R577 PolarHBondContact O-NE 2.88Å |
| 573 | E | 82.1 | Confident | 90.3 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 28% | 0.276 | 24% | 0.238 | S | C | . | . | trans | -54 | 136.8 | 172.1 | -41.8 | 174 | -155.8 | 0 | 0 | 109.8 | E575 K576 R577 E2363 | E573-E575 VanDerWaalsContact C-N 3.25Å; E573-E575 PolarHBondContact O-N 3.49Å; E573-K576 HydrophobicContact CB-CB 4.49Å; E573-K576 HydrophobicContact CB-CD 4.18Å; E573-K576 HydrophobicContact CB-CG 4.45Å; E573-K576 HydrophobicContact CG-CD 4.07Å; E573-K576 WeakPolarHBondContact O-CA 3.34Å; E573-K576 WeakPolarHBondContact O-CB 3.42Å; E573-K576 PolarHBondContact O-N 3.32Å; E573-K576 IonicContact OE1-NZ 3.97Å; E573-K576 PolarHBondContact OE1-NZ 3.35Å; E573-K576 WeakPolarHBondContact OE2-CD 3.44Å; E573-K576 WeakPolarHBondContact OE2-CE 3.44Å; E573-K576 IonicContact OE2-NZ 2.67Å; E573-K576 PolarHBondContact OE2-NZ 3.11Å; E573-R577 PolarHBondContact O-N 3.45Å; E573-E2363 WeakPolarHBondContact CG-OE1 3.4Å; E573-E2363 WeakPolarHBondContact CG-OE2 3.47Å | ||
| 574 | D | 83.6 | Confident | 90.4 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 21% | 0.214 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -56.3 | -39.3 | -173 | -82.1 | 33.1 | 0 | 0 | 0 | 112.5 | K576 R577 E578 T585 | D574-K576 PolarHBondContact O-N 3.4Å; D574-R577 CarbonylContact O-C 3.27Å; D574-R577 WeakPolarHBondContact O-CG 3.14Å; D574-R577 PolarHBondContact O-N 2.71Å; D574-R577 IonicContact OD1-CZ 3.23Å; D574-R577 IonicContact OD1-NE 3.5Å; D574-R577 PolarHBondContact OD1-NE 3.41Å; D574-R577 IonicContact OD1-NH2 2.72Å; D574-R577 PolarHBondContact OD1-NH2 2.96Å; D574-R577 IonicContact OD2-NH2 3.61Å; D574-E578 PolarHBondContact O-N 3.18Å; D574-T585 HydrophobicContact CB-CG2 4.18Å; D574-T585 WeakPolarHBondContact OD2-CG2 3.33Å |
| 575 | E | 82.5 | Confident | 90.3 | Very high | 72 Ų | 72 | 43.5 Ų | 43.5 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -57.9 | -29.3 | 174.5 | -54.9 | -167.3 | 167.5 | 0 | 0 | 114.2 | E573 P2365 R2387 | E573-E575 VanDerWaalsContact C-N 3.25Å; E573-E575 PolarHBondContact O-N 3.49Å; E575-P2365 WeakPolarHBondContact OE1-CG 3.44Å; E575-R2387 WeakPolarHBondContact OE1-CD 3.36Å; E575-R2387 IonicContact OE1-CZ 3.31Å; E575-R2387 IonicContact OE1-NE 3.14Å; E575-R2387 PolarHBondContact OE1-NE 3.35Å; E575-R2387 VanDerWaalsContact OE1-NE 3.14Å; E575-R2387 IonicContact OE1-NH1 3.99Å; E575-R2387 PolarHBondContact OE1-NH1 3.16Å; E575-R2387 IonicContact OE1-NH2 3.65Å; E575-R2387 PolarHBondContact OE1-NH2 2.83Å; E575-R2387 IonicContact OE2-CZ 2.72Å; E575-R2387 IonicContact OE2-NH1 2.75Å; E575-R2387 PolarHBondContact OE2-NH1 3.29Å; E575-R2387 IonicContact OE2-NH2 3.15Å; E575-R2387 PolarHBondContact OE2-NH2 3.33Å |
| 576 | K | 86 | Confident | 90.4 | Very high | 129 Ų | 129 | 42.2 Ų | 42.2 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -88.4 | -12.2 | -179.1 | -72.8 | 171.6 | 171.2 | 140.2 | 0 | 112.6 | E573 D574 M599 | E573-K576 HydrophobicContact CB-CB 4.49Å; E573-K576 HydrophobicContact CB-CD 4.18Å; E573-K576 HydrophobicContact CB-CG 4.45Å; E573-K576 HydrophobicContact CG-CD 4.07Å; E573-K576 WeakPolarHBondContact O-CA 3.34Å; E573-K576 WeakPolarHBondContact O-CB 3.42Å; E573-K576 PolarHBondContact O-N 3.32Å; E573-K576 IonicContact OE1-NZ 3.97Å; E573-K576 PolarHBondContact OE1-NZ 3.35Å; E573-K576 WeakPolarHBondContact OE2-CD 3.44Å; E573-K576 WeakPolarHBondContact OE2-CE 3.44Å; E573-K576 IonicContact OE2-NZ 2.67Å; E573-K576 PolarHBondContact OE2-NZ 3.11Å; D574-K576 PolarHBondContact O-N 3.4Å; K576-M599 WeakPolarHBondContact O-CE 3.38Å |
| 577 | R | 91.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -115.9 | 21.7 | 176.2 | 64.2 | -174.3 | -174.9 | 137.6 | -10.9 | 113 | E518 F569 S572 E573 D574 T585 L586 M599 | E518-R577 IonicContact OE2-CZ 3.23Å; E518-R577 VanDerWaalsContact OE2-CZ 3.23Å; E518-R577 IonicContact OE2-NH1 2.87Å; E518-R577 PolarHBondContact OE2-NH1 3.08Å; E518-R577 IonicContact OE2-NH2 2.72Å; E518-R577 PolarHBondContact OE2-NH2 2.96Å; F569-R577 HydrophobicContact CD1-CB 4.4Å; F569-R577 WeakPolarHBondContact O-CD 3.36Å; S572-R577 WeakPolarHBondContact O-CD 3.48Å; S572-R577 PolarHBondContact O-NE 2.88Å; E573-R577 PolarHBondContact O-N 3.45Å; D574-R577 CarbonylContact O-C 3.27Å; D574-R577 WeakPolarHBondContact O-CG 3.14Å; D574-R577 PolarHBondContact O-N 2.71Å; D574-R577 IonicContact OD1-CZ 3.23Å; D574-R577 IonicContact OD1-NE 3.5Å; D574-R577 PolarHBondContact OD1-NE 3.41Å; D574-R577 IonicContact OD1-NH2 2.72Å; D574-R577 PolarHBondContact OD1-NH2 2.96Å; D574-R577 IonicContact OD2-NH2 3.61Å; R577-T585 HydrophobicContact CG-CG2 3.87Å; R577-L586 PolarHBondContact NH1-O 2.79Å; R577-L586 WeakPolarHBondContact O-CB 3.49Å; R577-L586 WeakPolarHBondContact O-CD1 3.49Å; R577-L586 WeakPolarHBondContact O-CG 3.49Å; R577-L586 PolarHBondContact O-N 2.99Å; R577-M599 HydrophobicContact CB-CE 4.36Å |
| 578 | E | 93.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -70 | 154.6 | 166.2 | -64.7 | -175.2 | 170.5 | 0 | 0 | 111.8 | T511 D574 R583 L586 | T511-E578 HydrophobicContact CG2-CG 4.12Å; T511-E578 WeakPolarHBondContact CG2-OE1 3.44Å; T511-E578 PolarHBondContact OG1-OE1 3.48Å; D574-E578 PolarHBondContact O-N 3.18Å; E578-R583 WeakPolarHBondContact OE2-CD 3.46Å; E578-R583 IonicContact OE2-CZ 2.7Å; E578-R583 IonicContact OE2-NE 2.67Å; E578-R583 IonicContact OE2-NH1 3.64Å; E578-R583 PolarHBondContact OE2-NH1 3.48Å; E578-L586 WeakPolarHBondContact O-CD1 3.35Å |
| 579 | C | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -78.9 | 126.6 | 161.1 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | L581 C582 R583 T584 L586 M599 C601 | C579-L581 PolarHBondContact O-N 3.33Å; C579-C582 VanDerWaalsContact CB-SG 3.57Å; C579-C582 PolarHBondContact SG-SG 3.14Å; C579-R583 VanDerWaalsContact O-CA 3.3Å; C579-R583 WeakPolarHBondContact O-CA 3.48Å; C579-R583 PolarHBondContact O-N 3.02Å; C579-T584 PolarHBondContact N-O 3.15Å; C579-T584 VanDerWaalsContact N-O 3.1Å; C579-L586 HydrophobicContact CB-CD2 4.3Å; C579-M599 WeakPolarHBondContact CA-O 3.05Å; C579-C601 HydrophobicContact CB-CB 4.48Å; C579-C601 PolarHBondContact SG-N 2.74Å; C579-C601 VanDerWaalsContact SG-N 3.35Å | ||
| 580 | D | 90.2 | Very high | 90.9 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 31% | 0.305 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | -38.7 | -179 | -71.3 | -38.6 | 0 | 0 | 0 | 114.3 | R583 S598 M599 V600 R608 | D580-R583 PolarHBondContact O-NH2 3.02Å; D580-R583 VanDerWaalsContact O-NH2 3.14Å; D580-S598 WeakPolarHBondContact OD1-CB 3.38Å; D580-S598 WeakPolarHBondContact OD2-CB 3.34Å; D580-M599 VanDerWaalsContact CG-O 3.28Å; D580-M599 PolarHBondContact N-O 2.69Å; D580-V600 HydrophobicContact CB-CG1 3.83Å; D580-R608 IonicContact OD2-CZ 3.69Å; D580-R608 VanDerWaalsContact OD2-CZ 3.25Å; D580-R608 IonicContact OD2-NH1 3.59Å; D580-R608 PolarHBondContact OD2-NH1 2.71Å; D580-R608 IonicContact OD2-NH2 3.71Å; D580-R608 PolarHBondContact OD2-NH2 2.94Å |
| 581 | L | 89.2 | Confident | 91.3 | Very high | 64 Ų | 64 | 37.1 Ų | 37.1 | 34% | 0.335 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -70.2 | -179.3 | -176.8 | 67.1 | 0 | 0 | 0 | 112.1 | H509 C579 R583 H604 I607 | H509-L581 PolarHBondContact ND1-O 2.03Å; C579-L581 PolarHBondContact O-N 3.33Å; L581-R583 VanDerWaalsContact C-N 3.33Å; L581-R583 PolarHBondContact O-N 3.18Å; L581-H604 HydrophobicContact CD2-CB 4.41Å; L581-I607 HydrophobicContact CB-CD1 3.56Å; L581-I607 HydrophobicContact CD2-CD1 4.22Å; L581-I607 HydrophobicContact CD2-CG2 4.26Å; L581-I607 HydrophobicContact CG-CD1 4.4Å |
| 582 | C | 91.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 1.8 | -168.9 | 68.9 | 0 | 0 | 0 | 0 | 115 | A506 C579 T584 C601 H604 | A506-C582 HydrophobicContact CB-CB 4.02Å; A506-C582 VanDerWaalsContact O-CB 3.28Å; A506-C582 WeakPolarHBondContact O-CB 3.31Å; C579-C582 VanDerWaalsContact CB-SG 3.57Å; C579-C582 PolarHBondContact SG-SG 3.14Å; C582-T584 PolarHBondContact O-N 3.28Å; C582-T584 PolarHBondContact O-OG1 2.05Å; C582-T584 PolarHBondContact SG-OG1 3.46Å; C582-C601 VanDerWaalsContact SG-SG 3.69Å; C582-H604 VanDerWaalsContact CB-CE1 3.48Å; C582-H604 WeakPolarHBondContact CB-CE1 3.39Å; C582-H604 VanDerWaalsContact SG-CE1 3.55Å; C582-H604 PolarHBondContact SG-ND1 3.42Å; C582-H604 VanDerWaalsContact SG-ND1 3.35Å |
| 583 | R | 92.5 | Very high | 91.7 | Very high | 95 Ų | 95 | 29.5 Ų | 29.5 | 36% | 0.358 | 14% | 0.14 | S | C | . | . | trans | 59.3 | -5 | 178.2 | -61.5 | -68.6 | 158.5 | -176.8 | -12.9 | 117.8 | H509 E578 C579 D580 L581 T585 | H509-R583 WeakPolarHBondContact O-CG 3.49Å; E578-R583 WeakPolarHBondContact OE2-CD 3.46Å; E578-R583 IonicContact OE2-CZ 2.7Å; E578-R583 IonicContact OE2-NE 2.67Å; E578-R583 IonicContact OE2-NH1 3.64Å; E578-R583 PolarHBondContact OE2-NH1 3.48Å; C579-R583 VanDerWaalsContact O-CA 3.3Å; C579-R583 WeakPolarHBondContact O-CA 3.48Å; C579-R583 PolarHBondContact O-N 3.02Å; D580-R583 PolarHBondContact O-NH2 3.02Å; D580-R583 VanDerWaalsContact O-NH2 3.14Å; L581-R583 VanDerWaalsContact C-N 3.33Å; L581-R583 PolarHBondContact O-N 3.18Å; R583-T585 PolarHBondContact O-N 2.73Å | ||
| 584 | T | 94.1 | Very high | 91.8 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 16% | 0.16 | 15% | 0.146 | C | C | . | . | trans | -51.8 | 129.1 | 174.7 | -42.7 | 0 | 0 | 0 | 0 | 112.3 | I502 C579 C582 L586 | I502-T584 HydrophobicContact CG2-CG2 3.86Å; C579-T584 PolarHBondContact N-O 3.15Å; C579-T584 VanDerWaalsContact N-O 3.1Å; C582-T584 PolarHBondContact O-N 3.28Å; C582-T584 PolarHBondContact O-OG1 2.05Å; C582-T584 PolarHBondContact SG-OG1 3.46Å; T584-L586 PolarHBondContact O-N 3.14Å | ||
| 585 | T | 94.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -68.4 | 112.6 | 176.2 | -50.7 | 0 | 0 | 0 | 0 | 111 | P512 S515 D574 R577 R583 | P512-T585 WeakPolarHBondContact CG-OG1 3.44Å; S515-T585 PolarHBondContact OG-O 2.83Å; D574-T585 HydrophobicContact CB-CG2 4.18Å; D574-T585 WeakPolarHBondContact OD2-CG2 3.33Å; R577-T585 HydrophobicContact CG-CG2 3.87Å; R583-T585 PolarHBondContact O-N 2.73Å |
| 586 | L | 95.4 | Very high | 91.9 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | trans | -74 | 135.4 | -174.6 | -56.6 | 165.3 | 0 | 0 | 0 | 110.5 | F569 R577 E578 C579 T584 M599 C601 | F569-L586 HydrophobicContact CD1-CB 3.93Å; F569-L586 WeakPolarHBondContact CD1-O 3.49Å; F569-L586 HydrophobicContact CE1-CB 3.8Å; R577-L586 PolarHBondContact NH1-O 2.79Å; R577-L586 WeakPolarHBondContact O-CB 3.49Å; R577-L586 WeakPolarHBondContact O-CD1 3.49Å; R577-L586 WeakPolarHBondContact O-CG 3.49Å; R577-L586 PolarHBondContact O-N 2.99Å; E578-L586 WeakPolarHBondContact O-CD1 3.35Å; C579-L586 HydrophobicContact CB-CD2 4.3Å; T584-L586 PolarHBondContact O-N 3.14Å; L586-M599 HydrophobicContact CD1-CB 3.71Å; L586-C601 HydrophobicContact CD2-CB 3.51Å | ||
| 587 | Y | 96.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | trans | -138.7 | -49.3 | 178.9 | -178.4 | -105.7 | 0 | 0 | 0 | 113.8 | A517 E518 C521 F569 E570 R621 Y622 | A517-Y587 HydrophobicContact CB-CD1 4.22Å; E518-Y587 HydrophobicContact CB-CD1 3.95Å; E518-Y587 HydrophobicContact CB-CD2 3.57Å; E518-Y587 HydrophobicContact CB-CE1 4.2Å; E518-Y587 HydrophobicContact CB-CE2 3.85Å; E518-Y587 HydrophobicContact CB-CG 3.62Å; E518-Y587 HydrophobicContact CG-CD2 3.67Å; E518-Y587 HydrophobicContact CG-CE1 4.5Å; E518-Y587 HydrophobicContact CG-CE2 3.52Å; E518-Y587 HydrophobicContact CG-CG 4.24Å; C521-Y587 HydrophobicContact CB-CE1 3.68Å; F569-Y587 HydrophobicContact CB-CD2 4.22Å; F569-Y587 WeakPolarHBondContact CD2-O 3.13Å; E570-Y587 HydrophobicContact CB-CE2 4.27Å; Y587-R621 HydrophobicContact CE1-CG 4.44Å; Y587-R621 HydrophobicContact CE2-CG 4.3Å; Y587-R621 WeakPolarHBondContact O-CB 3.03Å; Y587-Y622 AromaticContact CE1-CE2 3.86Å; Y587-Y622 HydrophobicContact CE1-CE2 3.86Å; Y587-Y622 AromaticContact CZ-CE2 3.91Å; Y587-Y622 WeakPolarHBondContact OH-CE2 3.2Å; Y587-Y622 PolarHBondContact OH-OH 3.41Å; Y587-Y622 VanDerWaalsContact OH-OH 3.12Å | ||
| 588 | L | 96.3 | Very high | 91.3 | Very high | 22 Ų | 22 | 32.8 Ų | 32.8 | 12% | 0.115 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -74.7 | -42 | -177.6 | -58.3 | 169.5 | 0 | 0 | 0 | 112 | A517 L545 Y620 R621 L627 | A517-L588 HydrophobicContact CB-CD1 4.15Å; A517-L588 HydrophobicContact CB-CD2 4.36Å; A517-L588 HydrophobicContact CB-CG 4.03Å; L545-L588 HydrophobicContact CD1-CD1 3.98Å; L545-L588 HydrophobicContact CD2-CD1 3.43Å; L545-L588 VanDerWaalsContact CD2-CD1 3.43Å; L545-L588 HydrophobicContact CD2-CD2 3.91Å; L545-L588 HydrophobicContact CD2-CG 4.32Å; L545-L588 HydrophobicContact CG-CD1 3.57Å; L588-Y620 CarbonylContact O-C 3.15Å; L588-Y620 WeakPolarHBondContact O-CA 3.18Å; L588-R621 PolarHBondContact O-N 3.02Å; L588-L627 HydrophobicContact CD2-CD2 4.45Å |
| 589 | S | 96.9 | Very high | 91.2 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 6% | 0.056 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 166.5 | -173.8 | 57.4 | 0 | 0 | 0 | 0 | 113 | E549 L602 R619 | E549-S589 VanDerWaalsContact CD-OG 3.27Å; E549-S589 WeakPolarHBondContact OE1-CB 3.18Å; E549-S589 PolarHBondContact OE1-OG 3.37Å; E549-S589 PolarHBondContact OE2-OG 3.01Å; E549-S589 VanDerWaalsContact OE2-OG 3.07Å; S589-L602 WeakPolarHBondContact OG-CD1 3.25Å; S589-L602 VanDerWaalsContact OG-CG 3.26Å; S589-L602 WeakPolarHBondContact OG-CG 3.32Å; S589-R619 CarbonylContact C-O 3.56Å; S589-R619 WeakPolarHBondContact CA-O 3.28Å; S589-R619 WeakPolarHBondContact CB-O 3.17Å |
| 590 | S | 96.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 165.8 | 171.7 | 74.1 | 0 | 0 | 0 | 0 | 112.2 | M599 V600 M618 R619 | S590-M599 PolarHBondContact OG-SD 3.33Å; S590-V600 CarbonylContact C-O 3.53Å; S590-V600 VanDerWaalsContact CA-O 3.29Å; S590-V600 WeakPolarHBondContact CA-O 3.3Å; S590-V600 WeakPolarHBondContact CB-O 3.35Å; S590-M618 CarbonylContact O-C 3.56Å; S590-M618 WeakPolarHBondContact O-CA 3.43Å; S590-R619 PolarHBondContact N-O 3.39Å; S590-R619 PolarHBondContact O-N 2.91Å |
| 591 | L | 96.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115.3 | 171.9 | -172.9 | 72.1 | 0 | 0 | 0 | 110.6 | L556 V561 V600 L602 R608 Q616 | L556-L591 HydrophobicContact CD1-CD1 4.46Å; L556-L591 HydrophobicContact CD2-CD2 4.13Å; V561-L591 HydrophobicContact CG1-CD1 4.08Å; V561-L591 HydrophobicContact CG2-CD1 4.34Å; L591-V600 HydrophobicContact CB-CG2 3.99Å; L591-V600 PolarHBondContact N-O 2.69Å; L591-V600 WeakPolarHBondContact O-CG2 3.37Å; L591-V600 PolarHBondContact O-N 2.97Å; L591-L602 HydrophobicContact CB-CD2 4.39Å; L591-R608 HydrophobicContact CD2-CB 4.15Å; L591-R608 HydrophobicContact CD2-CG 4.47Å; L591-R608 PolarHBondContact O-NE 2.66Å; L591-R608 PolarHBondContact O-NH2 2.64Å; L591-Q616 HydrophobicContact CD1-CB 4.04Å |
| 592 | G | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -178.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q616 I617 | G592-Q616 WeakPolarHBondContact O-CA 3.35Å; G592-I617 PolarHBondContact N-O 3.43Å; G592-I617 PolarHBondContact O-N 3.1Å |
| 593 | C | 88.2 | Confident | 91.9 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.034 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 159.6 | 160.1 | -176.5 | 0 | 0 | 0 | 0 | 109 | C595 S596 C611 S615 Q616 | C593-C595 HydrophobicContact CB-CB 4.34Å; C593-C595 PolarHBondContact O-N 2.86Å; C593-S596 PolarHBondContact O-N 3.13Å; C593-S596 VanDerWaalsContact O-N 3.1Å; C593-C611 HydrophobicContact CB-CB 3.93Å; C593-C611 WeakPolarHBondContact CB-SG 3.19Å; C593-C611 WeakPolarHBondContact SG-CB 3.4Å; C593-C611 CovalentContact SG-SG 2.03Å; C593-C611 PolarHBondContact SG-SG 3.01Å; C593-S615 PolarHBondContact SG-O 2.85Å; C593-Q616 HydrophobicContact CB-CG 4.46Å |
| 594 | K | 83.2 | Confident | 92 | Very high | 88 Ų | 88 | 28 Ų | 28 | 38% | 0.383 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -7.1 | 171.7 | -54.4 | 173.5 | -173 | -172.4 | 0 | 112.9 | I617 T2330 M2331 | K594-I617 HydrophobicContact CD-CD1 4.41Å; K594-I617 HydrophobicContact CG-CD1 3.9Å; K594-T2330 PolarHBondContact NZ-O 3.49Å; K594-T2330 PolarHBondContact NZ-OG1 3.12Å; K594-M2331 HydrophobicContact CD-CE 4.32Å; K594-M2331 HydrophobicContact CD-SD 3.51Å; K594-M2331 VanDerWaalsContact CD-SD 3.51Å; K594-M2331 WeakPolarHBondContact CE-SD 3.45Å; K594-M2331 HydrophobicContact CG-SD 4.01Å |
| 595 | C | 85.2 | Confident | 91.9 | Very high | 67 Ų | 67 | 29 Ų | 29 | 45% | 0.453 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -28 | 172 | 84.6 | 0 | 0 | 0 | 0 | 114.4 | C593 C610 | C593-C595 HydrophobicContact CB-CB 4.34Å; C593-C595 PolarHBondContact O-N 2.86Å; C595-C610 HydrophobicContact CB-CB 3.95Å; C595-C610 WeakPolarHBondContact CB-SG 3.29Å; C595-C610 WeakPolarHBondContact SG-CB 3.31Å; C595-C610 CovalentContact SG-SG 2.05Å; C595-C610 PolarHBondContact SG-SG 2.92Å |
| 596 | S | 82.5 | Confident | 91.6 | Very high | 53 Ų | 53 | 33.5 Ų | 33.5 | 37% | 0.371 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 141.1 | -165.7 | -175 | 0 | 0 | 0 | 0 | 111.6 | C593 S598 | C593-S596 PolarHBondContact O-N 3.13Å; C593-S596 VanDerWaalsContact O-N 3.1Å; S596-S598 VanDerWaalsContact CB-OG 3.25Å; S596-S598 WeakPolarHBondContact CB-OG 3.32Å; S596-S598 PolarHBondContact O-N 2.93Å; S596-S598 WeakPolarHBondContact OG-CB 3.25Å; S596-S598 PolarHBondContact OG-N 3.1Å; S596-S598 PolarHBondContact OG-OG 3.32Å |
| 597 | E | 80.5 | Confident | 91.2 | Very high | 135 Ų | 135 | 36.7 Ų | 36.7 | 63% | 0.631 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | -18.3 | 174.7 | -68.6 | 164.2 | -164 | 0 | 0 | 112.4 | ||
| 598 | S | 85.8 | Confident | 90.7 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 22% | 0.224 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 134.8 | 176 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | D580 S596 R608 | D580-S598 WeakPolarHBondContact OD1-CB 3.38Å; D580-S598 WeakPolarHBondContact OD2-CB 3.34Å; S596-S598 VanDerWaalsContact CB-OG 3.25Å; S596-S598 WeakPolarHBondContact CB-OG 3.32Å; S596-S598 PolarHBondContact O-N 2.93Å; S596-S598 WeakPolarHBondContact OG-CB 3.25Å; S596-S598 PolarHBondContact OG-N 3.1Å; S596-S598 PolarHBondContact OG-OG 3.32Å; S598-R608 PolarHBondContact O-NH2 3.01Å; S598-R608 PolarHBondContact OG-NH1 2.66Å |
| 599 | M | 92.1 | Very high | 90.1 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 5% | 0.054 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 154.3 | -177.1 | -68.9 | -172.3 | -71.6 | 0 | 0 | 112.3 | M567 K576 R577 C579 D580 L586 S590 R608 | M567-M599 HydrophobicContact CE-CE 4.13Å; M567-M599 HydrophobicContact CE-SD 4.49Å; M567-M599 HydrophobicContact SD-SD 4.16Å; K576-M599 WeakPolarHBondContact O-CE 3.38Å; R577-M599 HydrophobicContact CB-CE 4.36Å; C579-M599 WeakPolarHBondContact CA-O 3.05Å; D580-M599 VanDerWaalsContact CG-O 3.28Å; D580-M599 PolarHBondContact N-O 2.69Å; L586-M599 HydrophobicContact CD1-CB 3.71Å; S590-M599 PolarHBondContact OG-SD 3.33Å; M599-R608 VanDerWaalsContact CA-NH2 3.31Å |
| 600 | V | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 154.4 | 169.2 | -72.1 | 0 | 0 | 0 | 0 | 110.1 | D580 S590 L591 H604 I607 R608 | D580-V600 HydrophobicContact CB-CG1 3.83Å; S590-V600 CarbonylContact C-O 3.53Å; S590-V600 VanDerWaalsContact CA-O 3.29Å; S590-V600 WeakPolarHBondContact CA-O 3.3Å; S590-V600 WeakPolarHBondContact CB-O 3.35Å; L591-V600 HydrophobicContact CB-CG2 3.99Å; L591-V600 PolarHBondContact N-O 2.69Å; L591-V600 WeakPolarHBondContact O-CG2 3.37Å; L591-V600 PolarHBondContact O-N 2.97Å; V600-H604 HydrophobicContact CB-CB 4.41Å; V600-I607 HydrophobicContact CG1-CD1 3.67Å; V600-I607 HydrophobicContact CG1-CG1 3.96Å; V600-R608 HydrophobicContact CG2-CB 4.49Å |
| 601 | C | 96 | Very high | 89 | Confident | 23 Ų | 23 | 45.8 Ų | 45.8 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | trans | -67.5 | 158.1 | 167.1 | 65.3 | 0 | 0 | 0 | 0 | 110.2 | C579 C582 L586 A603 H604 | C579-C601 HydrophobicContact CB-CB 4.48Å; C579-C601 PolarHBondContact SG-N 2.74Å; C579-C601 VanDerWaalsContact SG-N 3.35Å; C582-C601 VanDerWaalsContact SG-SG 3.69Å; L586-C601 HydrophobicContact CD2-CB 3.51Å; C601-A603 PolarHBondContact O-N 2.99Å; C601-A603 VanDerWaalsContact O-N 3.17Å; C601-H604 PolarHBondContact O-N 3.43Å; C601-H604 PolarHBondContact SG-ND1 3.49Å | ||
| 602 | L | 95.6 | Very high | 88.5 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -64.4 | -24.3 | -174.5 | -47.9 | -169.9 | 0 | 0 | 0 | 112.9 | L552 R553 L556 S589 L591 H604 Y605 M618 | L552-L602 HydrophobicContact CB-CB 3.81Å; L552-L602 HydrophobicContact CB-CD1 4.01Å; L552-L602 HydrophobicContact CD1-CB 4.16Å; L552-L602 HydrophobicContact CG-CB 4.41Å; R553-L602 HydrophobicContact CG-CD1 3.83Å; L556-L602 HydrophobicContact CD1-CB 3.97Å; L556-L602 HydrophobicContact CD1-CD1 3.99Å; L556-L602 HydrophobicContact CD1-CD2 3.65Å; L556-L602 HydrophobicContact CD1-CG 4.05Å; S589-L602 WeakPolarHBondContact OG-CD1 3.25Å; S589-L602 VanDerWaalsContact OG-CG 3.26Å; S589-L602 WeakPolarHBondContact OG-CG 3.32Å; L591-L602 HydrophobicContact CB-CD2 4.39Å; L602-H604 VanDerWaalsContact C-N 3.28Å; L602-H604 PolarHBondContact O-N 3.41Å; L602-Y605 WeakPolarHBondContact O-CD1 3.29Å; L602-M618 HydrophobicContact CD2-CG 4.23Å |
| 603 | A | 93.7 | Very high | 88.3 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -65.2 | -27.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | C601 Q606 | C601-A603 PolarHBondContact O-N 2.99Å; C601-A603 VanDerWaalsContact O-N 3.17Å; A603-Q606 PolarHBondContact O-OE1 2.92Å |
| 604 | H | 94.1 | Very high | 88.3 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 24% | 0.236 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -104.6 | 27.3 | -177.5 | -65.4 | 121.9 | 0 | 0 | 0 | 113.4 | L581 C582 V600 C601 L602 Q606 I607 | L581-H604 HydrophobicContact CD2-CB 4.41Å; C582-H604 VanDerWaalsContact CB-CE1 3.48Å; C582-H604 WeakPolarHBondContact CB-CE1 3.39Å; C582-H604 VanDerWaalsContact SG-CE1 3.55Å; C582-H604 PolarHBondContact SG-ND1 3.42Å; C582-H604 VanDerWaalsContact SG-ND1 3.35Å; V600-H604 HydrophobicContact CB-CB 4.41Å; C601-H604 PolarHBondContact O-N 3.43Å; C601-H604 PolarHBondContact SG-ND1 3.49Å; L602-H604 VanDerWaalsContact C-N 3.28Å; L602-H604 PolarHBondContact O-N 3.41Å; H604-Q606 VanDerWaalsContact C-OE1 3.27Å; H604-Q606 PolarHBondContact O-N 3.04Å; H604-Q606 VanDerWaalsContact O-N 3.09Å; H604-I607 PolarHBondContact O-N 3.21Å |
| 605 | Y | 92.8 | Very high | 88.6 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 18% | 0.184 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -58.1 | -21.9 | -179.8 | 74.7 | -85.5 | 0 | 0 | 0 | 114.8 | H555 L556 I559 L602 I607 R608 R613 | H555-Y605 AromaticContact CD2-CE1 3.76Å; H555-Y605 AromaticContact CD2-CZ 3.72Å; H555-Y605 AromaticContact NE2-CE1 3.81Å; H555-Y605 AromaticContact NE2-CE2 3.99Å; H555-Y605 AromaticContact NE2-CZ 3.33Å; H555-Y605 VanDerWaalsContact NE2-CZ 3.33Å; H555-Y605 PolarHBondContact NE2-OH 2.94Å; L556-Y605 HydrophobicContact CD2-CD2 4.32Å; L556-Y605 HydrophobicContact CD2-CG 3.96Å; I559-Y605 HydrophobicContact CD1-CD2 3.3Å; I559-Y605 HydrophobicContact CD1-CE2 3.37Å; I559-Y605 HydrophobicContact CD1-CG 4.28Å; L602-Y605 WeakPolarHBondContact O-CD1 3.29Å; Y605-I607 VanDerWaalsContact C-N 3.32Å; Y605-I607 PolarHBondContact O-N 3.29Å; Y605-R608 PolarHBondContact O-N 2.81Å; Y605-R613 PolarHBondContact O-NH1 3.3Å; Y605-R613 PolarHBondContact O-NH2 3.19Å |
| 606 | Q | 89.3 | Confident | 89 | Confident | 97 Ų | 97 | 52.4 Ų | 52.4 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -62.9 | -39.5 | -177.5 | -55.6 | 85.2 | -18 | 0 | 0 | 111 | A603 H604 R608 | A603-Q606 PolarHBondContact O-OE1 2.92Å; H604-Q606 VanDerWaalsContact C-OE1 3.27Å; H604-Q606 PolarHBondContact O-N 3.04Å; H604-Q606 VanDerWaalsContact O-N 3.09Å; Q606-R608 VanDerWaalsContact C-N 3.26Å; Q606-R608 PolarHBondContact O-N 3.39Å |
| 607 | I | 87 | Confident | 89.6 | Confident | 73 Ų | 73 | 50.2 Ų | 50.2 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -74.9 | -15.4 | -174.7 | 83.7 | -175.5 | 0 | 0 | 0 | 113 | L581 V600 H604 Y605 T609 | L581-I607 HydrophobicContact CB-CD1 3.56Å; L581-I607 HydrophobicContact CD2-CD1 4.22Å; L581-I607 HydrophobicContact CD2-CG2 4.26Å; L581-I607 HydrophobicContact CG-CD1 4.4Å; V600-I607 HydrophobicContact CG1-CD1 3.67Å; V600-I607 HydrophobicContact CG1-CG1 3.96Å; H604-I607 PolarHBondContact O-N 3.21Å; Y605-I607 VanDerWaalsContact C-N 3.32Å; Y605-I607 PolarHBondContact O-N 3.29Å; I607-T609 VanDerWaalsContact C-N 3.33Å; I607-T609 PolarHBondContact O-N 3.14Å |
| 608 | R | 85.2 | Confident | 90.4 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | trans | -78.3 | 85.3 | 177 | -168.7 | 65.4 | 68.7 | -141.6 | 0 | 109.5 | D580 L591 S598 M599 V600 Y605 Q606 R613 Q616 | D580-R608 IonicContact OD2-CZ 3.69Å; D580-R608 VanDerWaalsContact OD2-CZ 3.25Å; D580-R608 IonicContact OD2-NH1 3.59Å; D580-R608 PolarHBondContact OD2-NH1 2.71Å; D580-R608 IonicContact OD2-NH2 3.71Å; D580-R608 PolarHBondContact OD2-NH2 2.94Å; L591-R608 HydrophobicContact CD2-CB 4.15Å; L591-R608 HydrophobicContact CD2-CG 4.47Å; L591-R608 PolarHBondContact O-NE 2.66Å; L591-R608 PolarHBondContact O-NH2 2.64Å; S598-R608 PolarHBondContact O-NH2 3.01Å; S598-R608 PolarHBondContact OG-NH1 2.66Å; M599-R608 VanDerWaalsContact CA-NH2 3.31Å; V600-R608 HydrophobicContact CG2-CB 4.49Å; Y605-R608 PolarHBondContact O-N 2.81Å; Q606-R608 VanDerWaalsContact C-N 3.26Å; Q606-R608 PolarHBondContact O-N 3.39Å; R608-R613 PolarHBondContact O-NH1 3.37Å; R608-Q616 HydrophobicContact CG-CG 4.46Å; R608-Q616 PolarHBondContact O-NE2 2.87Å | ||
| 609 | T | 83.6 | Confident | 90.9 | Very high | 118 Ų | 118 | 45.1 Ų | 45.1 | 72% | 0.724 | 25% | 0.25 | S | C | * | . | trans | -109.6 | -3.4 | -176 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | I607 C611 | I607-T609 VanDerWaalsContact C-N 3.33Å; I607-T609 PolarHBondContact O-N 3.14Å; T609-C611 PolarHBondContact O-N 2.77Å; T609-C611 VanDerWaalsContact O-N 3.13Å | ||
| 610 | C | 82.2 | Confident | 91.1 | Very high | 70 Ų | 70 | 46.9 Ų | 46.9 | 47% | 0.473 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -65 | -15.8 | -178.1 | 73.2 | 0 | 0 | 0 | 0 | 114.8 | C595 | C595-C610 HydrophobicContact CB-CB 3.95Å; C595-C610 WeakPolarHBondContact CB-SG 3.29Å; C595-C610 WeakPolarHBondContact SG-CB 3.31Å; C595-C610 CovalentContact SG-SG 2.05Å; C595-C610 PolarHBondContact SG-SG 2.92Å |
| 611 | C | 87.3 | Confident | 91.2 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 14% | 0.142 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -141.4 | 148.3 | -173.4 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | C593 T609 Q616 | C593-C611 HydrophobicContact CB-CB 3.93Å; C593-C611 WeakPolarHBondContact CB-SG 3.19Å; C593-C611 WeakPolarHBondContact SG-CB 3.4Å; C593-C611 CovalentContact SG-SG 2.03Å; C593-C611 PolarHBondContact SG-SG 3.01Å; T609-C611 PolarHBondContact O-N 2.77Å; T609-C611 VanDerWaalsContact O-N 3.13Å; C611-Q616 HydrophobicContact CB-CG 4.01Å; C611-Q616 PolarHBondContact O-NE2 3.5Å |
| 612 | P | 85.8 | Confident | 91.2 | Very high | 89 Ų | 89 | 47 Ų | 47 | 58% | 0.578 | 25% | 0.253 | S | S | * | . | trans | -59.7 | 157.5 | 163.1 | -14.8 | 29.6 | 0 | 0 | 0 | 111 | D614 S615 | P612-D614 VanDerWaalsContact C-N 3.35Å; P612-D614 WeakPolarHBondContact CB-OD1 3.48Å; P612-D614 PolarHBondContact O-N 3.13Å; P612-S615 WeakPolarHBondContact O-CB 3.43Å; P612-S615 PolarHBondContact O-N 2.96Å; P612-S615 VanDerWaalsContact O-N 3.11Å | ||
| 613 | R | 90 | Very high | 91.2 | Very high | 66 Ų | 66 | 49 Ų | 49 | 25% | 0.249 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -64 | -35.3 | -167.8 | -68.5 | -68.3 | -179 | -163 | 0.3 | 113.8 | I559 G560 V561 Y605 R608 S615 Q616 | I559-R613 WeakPolarHBondContact O-CB 3.45Å; I559-R613 WeakPolarHBondContact O-CG 3.44Å; G560-R613 CarbonylContact O-C 3.47Å; V561-R613 HydrophobicContact CG2-CB 4.36Å; Y605-R613 PolarHBondContact O-NH1 3.3Å; Y605-R613 PolarHBondContact O-NH2 3.19Å; R608-R613 PolarHBondContact O-NH1 3.37Å; R613-S615 PolarHBondContact O-N 3.33Å; R613-Q616 PolarHBondContact O-N 3.04Å |
| 614 | D | 88 | Confident | 91.3 | Very high | 95 Ų | 95 | 48.5 Ų | 48.5 | 51% | 0.508 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -56.5 | -30.7 | 174.4 | 57.6 | 9.1 | 0 | 0 | 0 | 113.8 | G560 P612 | G560-D614 PolarHBondContact O-N 2.63Å; P612-D614 VanDerWaalsContact C-N 3.35Å; P612-D614 WeakPolarHBondContact CB-OD1 3.48Å; P612-D614 PolarHBondContact O-N 3.13Å |
| 615 | S | 89.4 | Confident | 91.3 | Very high | 48 Ų | 48 | 51.6 Ų | 51.6 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -94.4 | -7.3 | -173 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | C593 P612 R613 | C593-S615 PolarHBondContact SG-O 2.85Å; P612-S615 WeakPolarHBondContact O-CB 3.43Å; P612-S615 PolarHBondContact O-N 2.96Å; P612-S615 VanDerWaalsContact O-N 3.11Å; R613-S615 PolarHBondContact O-N 3.33Å |
| 616 | Q | 93.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 146.2 | 174.9 | -59.2 | 179.6 | 10 | 0 | 0 | 109.7 | V561 L591 G592 C593 R608 C611 R613 | V561-Q616 HydrophobicContact CG2-CB 4.48Å; L591-Q616 HydrophobicContact CD1-CB 4.04Å; G592-Q616 WeakPolarHBondContact O-CA 3.35Å; C593-Q616 HydrophobicContact CB-CG 4.46Å; R608-Q616 HydrophobicContact CG-CG 4.46Å; R608-Q616 PolarHBondContact O-NE2 2.87Å; C611-Q616 HydrophobicContact CB-CG 4.01Å; C611-Q616 PolarHBondContact O-NE2 3.5Å; R613-Q616 PolarHBondContact O-N 3.04Å |
| 617 | I | 95.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123 | -177.7 | -46.9 | 175.7 | 0 | 0 | 0 | 109.1 | L563 E565 G592 K594 R619 | L563-I617 HydrophobicContact CB-CB 4.47Å; L563-I617 HydrophobicContact CB-CG1 4.2Å; L563-I617 HydrophobicContact CB-CG2 4.39Å; L563-I617 HydrophobicContact CD1-CG1 4.28Å; L563-I617 WeakPolarHBondContact O-CA 3.23Å; E565-I617 HydrophobicContact CB-CG2 3.64Å; G592-I617 PolarHBondContact N-O 3.43Å; G592-I617 PolarHBondContact O-N 3.1Å; K594-I617 HydrophobicContact CD-CD1 4.41Å; K594-I617 HydrophobicContact CG-CD1 3.9Å; I617-R619 HydrophobicContact CG2-CG 4.37Å; I617-R619 PolarHBondContact O-N 3.46Å |
| 618 | M | 96.2 | Very high | 92.1 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 105.5 | 167.3 | -174.8 | -160.4 | 81.5 | 0 | 0 | 109.3 | R553 L556 V561 L563 T564 E565 S590 L602 Y620 | R553-M618 HydrophobicContact CB-SD 4.06Å; R553-M618 HydrophobicContact CG-CE 4.27Å; R553-M618 HydrophobicContact CG-SD 3.66Å; L556-M618 HydrophobicContact CD1-CG 4.16Å; L556-M618 HydrophobicContact CD1-SD 4.45Å; V561-M618 HydrophobicContact CG1-CB 4.34Å; L563-M618 PolarHBondContact O-N 3.35Å; T564-M618 VanDerWaalsContact CA-O 3.25Å; T564-M618 WeakPolarHBondContact CA-O 3.44Å; T564-M618 HydrophobicContact CG2-CB 4.41Å; T564-M618 HydrophobicContact CG2-CE 3.76Å; E565-M618 PolarHBondContact N-O 3.1Å; E565-M618 VanDerWaalsContact N-O 3.1Å; S590-M618 CarbonylContact O-C 3.56Å; S590-M618 WeakPolarHBondContact O-CA 3.43Å; L602-M618 HydrophobicContact CD2-CG 4.23Å; M618-Y620 HydrophobicContact CE-CD1 4.08Å; M618-Y620 HydrophobicContact CE-CG 4.38Å |
| 619 | R | 96.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 143 | 173.8 | -60.5 | -170.1 | 164.6 | 121.2 | 6.9 | 110.1 | E565 M567 F569 S589 S590 I617 | E565-R619 HydrophobicContact CB-CG 4.27Å; E565-R619 CarbonylContact O-C 3.58Å; E565-R619 WeakPolarHBondContact O-CA 3.35Å; E565-R619 IonicContact OE2-CZ 2.65Å; E565-R619 VanDerWaalsContact OE2-CZ 3.23Å; E565-R619 IonicContact OE2-NE 2.73Å; E565-R619 PolarHBondContact OE2-NE 3.44Å; E565-R619 IonicContact OE2-NH2 3.3Å; E565-R619 PolarHBondContact OE2-NH2 3.19Å; M567-R619 HydrophobicContact CB-CB 4.2Å; M567-R619 HydrophobicContact SD-CB 4.44Å; F569-R619 HydrophobicContact CZ-CB 4.11Å; S589-R619 CarbonylContact C-O 3.56Å; S589-R619 WeakPolarHBondContact CA-O 3.28Å; S589-R619 WeakPolarHBondContact CB-O 3.17Å; S590-R619 PolarHBondContact N-O 3.39Å; S590-R619 PolarHBondContact O-N 2.91Å; I617-R619 HydrophobicContact CG2-CG 4.37Å; I617-R619 PolarHBondContact O-N 3.46Å |
| 620 | Y | 97.4 | Very high | 93.1 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 146.8 | -178.6 | 69 | -77.9 | 0 | 0 | 0 | 113 | E565 R566 M567 L588 M618 Y622 D623 | E565-Y620 WeakPolarHBondContact O-CD1 3.46Å; E565-Y620 PolarHBondContact O-N 2.83Å; R566-Y620 CarbonylContact C-O 3.53Å; R566-Y620 VanDerWaalsContact CA-O 3.3Å; R566-Y620 WeakPolarHBondContact CA-O 3.41Å; R566-Y620 HydrophobicContact CB-CE1 4.26Å; R566-Y620 HydrophobicContact CB-CE2 4.41Å; R566-Y620 HydrophobicContact CG-CD2 4.16Å; R566-Y620 HydrophobicContact CG-CE1 4.49Å; R566-Y620 HydrophobicContact CG-CE2 3.79Å; M567-Y620 PolarHBondContact N-O 2.81Å; L588-Y620 CarbonylContact O-C 3.15Å; L588-Y620 WeakPolarHBondContact O-CA 3.18Å; M618-Y620 HydrophobicContact CE-CD1 4.08Å; M618-Y620 HydrophobicContact CE-CG 4.38Å; Y620-Y622 WeakPolarHBondContact CD2-O 3.12Å; Y620-D623 HydrophobicContact CE2-CB 4.27Å |
| 621 | R | 96.6 | Very high | 93.7 | Very high | 21 Ų | 21 | 41.9 Ų | 41.9 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -92.5 | -42.6 | -176.6 | 178.1 | 56.6 | -170.2 | 79.3 | -0.6 | 113.8 | M567 F569 E570 Y587 L588 K2335 | M567-R621 WeakPolarHBondContact O-CA 3.3Å; M567-R621 WeakPolarHBondContact O-CD 3.37Å; F569-R621 HydrophobicContact CD2-CB 3.86Å; F569-R621 HydrophobicContact CE2-CB 4.19Å; E570-R621 VanDerWaalsContact CD-NE 3.25Å; E570-R621 IonicContact OE1-CZ 3.7Å; E570-R621 VanDerWaalsContact OE1-CZ 3.23Å; E570-R621 IonicContact OE1-NE 2.74Å; E570-R621 PolarHBondContact OE1-NE 2.88Å; E570-R621 IonicContact OE1-NH2 2.69Å; E570-R621 PolarHBondContact OE1-NH2 3.32Å; E570-R621 VanDerWaalsContact OE2-CD 3.29Å; E570-R621 WeakPolarHBondContact OE2-CD 3.18Å; E570-R621 IonicContact OE2-CZ 3.39Å; E570-R621 IonicContact OE2-NE 3.76Å; E570-R621 PolarHBondContact OE2-NE 2.75Å; E570-R621 IonicContact OE2-NH2 3.6Å; Y587-R621 HydrophobicContact CE1-CG 4.44Å; Y587-R621 HydrophobicContact CE2-CG 4.3Å; Y587-R621 WeakPolarHBondContact O-CB 3.03Å; L588-R621 PolarHBondContact O-N 3.02Å; R621-K2335 PolarHBondContact O-NZ 2.95Å |
| 622 | Y | 96.7 | Very high | 93.9 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -129.8 | 145.9 | 175.1 | -58.7 | -74.6 | 0 | 0 | 0 | 108.9 | C521 K525 R553 Y587 Y620 E626 L627 F630 | C521-Y622 HydrophobicContact CB-CE2 4.29Å; K525-Y622 PolarHBondContact NZ-OH 3.4Å; R553-Y622 VanDerWaalsContact CZ-O 3.31Å; R553-Y622 PolarHBondContact NH1-O 2.98Å; R553-Y622 PolarHBondContact NH2-O 3.45Å; Y587-Y622 AromaticContact CE1-CE2 3.86Å; Y587-Y622 HydrophobicContact CE1-CE2 3.86Å; Y587-Y622 AromaticContact CZ-CE2 3.91Å; Y587-Y622 WeakPolarHBondContact OH-CE2 3.2Å; Y587-Y622 PolarHBondContact OH-OH 3.41Å; Y587-Y622 VanDerWaalsContact OH-OH 3.12Å; Y620-Y622 WeakPolarHBondContact CD2-O 3.12Å; Y622-E626 WeakPolarHBondContact CA-OE2 3.25Å; Y622-E626 WeakPolarHBondContact CB-OE2 3.24Å; Y622-E626 HydrophobicContact CD1-CB 4.2Å; Y622-E626 HydrophobicContact CD1-CG 4.47Å; Y622-E626 WeakPolarHBondContact CD1-OE2 3.25Å; Y622-L627 HydrophobicContact CD2-CD2 3.99Å; Y622-L627 HydrophobicContact CG-CD2 4.27Å; Y622-F630 AromaticContact CD1-CE2 3.97Å; Y622-F630 HydrophobicContact CD1-CE2 3.97Å; Y622-F630 AromaticContact CD1-CZ 3.89Å; Y622-F630 HydrophobicContact CD1-CZ 3.89Å; Y622-F630 HydrophobicContact CD2-CE2 4.26Å; Y622-F630 AromaticContact CE1-CE2 3.75Å; Y622-F630 HydrophobicContact CE1-CE2 3.75Å; Y622-F630 AromaticContact CE1-CZ 3.6Å; Y622-F630 HydrophobicContact CE1-CZ 3.6Å; Y622-F630 HydrophobicContact CE2-CE2 4.07Å; Y622-F630 HydrophobicContact CG-CE2 4.23Å; Y622-F630 AromaticContact CZ-CE2 3.82Å |
| 623 | D | 94.7 | Very high | 94.2 | Very high | 46 Ų | 46 | 46.8 Ų | 46.8 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | trans | -71.5 | -178 | 164.9 | 49.4 | 44.9 | 0 | 0 | 0 | 110.6 | R566 Y620 D625 E626 L627 | R566-D623 IonicContact CZ-OD2 2.73Å; R566-D623 IonicContact NH2-OD1 2.68Å; R566-D623 IonicContact NH2-OD2 3.12Å; R566-D623 PolarHBondContact NH2-OD2 3.4Å; Y620-D623 HydrophobicContact CE2-CB 4.27Å; D623-D625 PolarHBondContact OD1-N 3.39Å; D623-E626 PolarHBondContact N-OE2 2.9Å; D623-E626 WeakPolarHBondContact OD1-CB 3.12Å; D623-E626 WeakPolarHBondContact OD1-CG 3.13Å; D623-E626 PolarHBondContact OD1-N 3.21Å; D623-L627 WeakPolarHBondContact O-CG 3.31Å | ||
| 624 | L | 95.3 | Very high | 94.4 | Very high | 36 Ų | 36 | 43.8 Ų | 43.8 | 19% | 0.188 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78 | -14.6 | -177.6 | -62.8 | 177.8 | 0 | 0 | 0 | 111.9 | L546 E549 R550 T628 | L546-L624 HydrophobicContact CD1-CB 4.46Å; L546-L624 HydrophobicContact CD1-CD2 4.12Å; E549-L624 HydrophobicContact CG-CD2 4.24Å; R550-L624 HydrophobicContact CB-CD1 4.15Å; R550-L624 HydrophobicContact CB-CD2 4.16Å; R550-L624 HydrophobicContact CG-CD1 4.05Å; L624-T628 WeakPolarHBondContact O-CB 3.32Å; L624-T628 PolarHBondContact O-N 3.29Å; L624-T628 VanDerWaalsContact O-N 3.12Å; L624-T628 PolarHBondContact O-OG1 3.23Å |
| 625 | D | 94.5 | Very high | 94.6 | Very high | 116 Ų | 116 | 42.7 Ų | 42.7 | 62% | 0.62 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -92.8 | -43.9 | -171.9 | -46.7 | -46.5 | 0 | 0 | 0 | 109.4 | D623 L627 T628 E629 | D623-D625 PolarHBondContact OD1-N 3.39Å; D625-L627 PolarHBondContact O-N 3.39Å; D625-T628 PolarHBondContact O-N 3.1Å; D625-E629 WeakPolarHBondContact O-CB 3.34Å; D625-E629 PolarHBondContact O-N 3.06Å |
| 626 | E | 95.5 | Very high | 94.6 | Very high | 40 Ų | 40 | 43.4 Ų | 43.4 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -51.1 | -43.4 | 163.4 | -79.2 | 171.7 | 139 | 0 | 0 | 111.7 | R566 Y622 D623 T628 F630 | R566-E626 IonicContact CZ-OE1 3.25Å; R566-E626 IonicContact CZ-OE2 2.71Å; R566-E626 IonicContact NH1-OE1 2.68Å; R566-E626 PolarHBondContact NH1-OE1 3.43Å; R566-E626 IonicContact NH1-OE2 2.69Å; R566-E626 PolarHBondContact NH1-OE2 2.93Å; R566-E626 IonicContact NH2-OE1 2.95Å; R566-E626 PolarHBondContact NH2-OE1 3.5Å; R566-E626 IonicContact NH2-OE2 3.26Å; R566-E626 PolarHBondContact NH2-OE2 2.91Å; Y622-E626 WeakPolarHBondContact CA-OE2 3.25Å; Y622-E626 WeakPolarHBondContact CB-OE2 3.24Å; Y622-E626 HydrophobicContact CD1-CB 4.2Å; Y622-E626 HydrophobicContact CD1-CG 4.47Å; Y622-E626 WeakPolarHBondContact CD1-OE2 3.25Å; D623-E626 PolarHBondContact N-OE2 2.9Å; D623-E626 WeakPolarHBondContact OD1-CB 3.12Å; D623-E626 WeakPolarHBondContact OD1-CG 3.13Å; D623-E626 PolarHBondContact OD1-N 3.21Å; E626-T628 VanDerWaalsContact C-N 3.34Å; E626-F630 HydrophobicContact CB-CZ 4.45Å; E626-F630 WeakPolarHBondContact O-CD1 3.45Å; E626-F630 WeakPolarHBondContact O-CE1 3.33Å; E626-F630 WeakPolarHBondContact O-CG 3.38Å; E626-F630 PolarHBondContact O-N 3.29Å; E626-F630 VanDerWaalsContact O-N 3.08Å |
| 627 | L | 94.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.8 | -25.9 | 178.8 | -70.8 | 174.7 | 0 | 0 | 0 | 113.3 | L546 L588 Y622 D623 D625 F630 K631 | L546-L627 HydrophobicContact CD1-CB 3.89Å; L588-L627 HydrophobicContact CD2-CD2 4.45Å; Y622-L627 HydrophobicContact CD2-CD2 3.99Å; Y622-L627 HydrophobicContact CG-CD2 4.27Å; D623-L627 WeakPolarHBondContact O-CG 3.31Å; D625-L627 PolarHBondContact O-N 3.39Å; L627-F630 HydrophobicContact CD2-CD2 4.16Å; L627-F630 HydrophobicContact CD2-CE2 4.36Å; L627-K631 PolarHBondContact O-N 3.05Å |
| 628 | T | 95.7 | Very high | 94.1 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.6 | -45 | 174.2 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | L546 L624 D625 E626 F630 K631 E632 | L546-T628 WeakPolarHBondContact CD2-OG1 3.26Å; L624-T628 WeakPolarHBondContact O-CB 3.32Å; L624-T628 PolarHBondContact O-N 3.29Å; L624-T628 VanDerWaalsContact O-N 3.12Å; L624-T628 PolarHBondContact O-OG1 3.23Å; D625-T628 PolarHBondContact O-N 3.1Å; E626-T628 VanDerWaalsContact C-N 3.34Å; T628-F630 VanDerWaalsContact C-N 3.31Å; T628-F630 PolarHBondContact O-N 3.03Å; T628-K631 WeakPolarHBondContact O-CB 3.33Å; T628-K631 PolarHBondContact O-N 3.42Å; T628-E632 HydrophobicContact CG2-CG 4.36Å; T628-E632 WeakPolarHBondContact CG2-OE1 3.39Å; T628-E632 WeakPolarHBondContact O-CG 3.43Å; T628-E632 PolarHBondContact O-N 3.27Å |
| 629 | E | 94.6 | Very high | 93.8 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.8 | -42.4 | 174.1 | -169.3 | -155 | -158 | 0 | 0 | 112.1 | D625 K631 E632 K633 | D625-E629 WeakPolarHBondContact O-CB 3.34Å; D625-E629 PolarHBondContact O-N 3.06Å; E629-K631 VanDerWaalsContact C-N 3.33Å; E629-K631 PolarHBondContact O-N 2.75Å; E629-E632 PolarHBondContact O-N 3.24Å; E629-K633 HydrophobicContact CG-CD 4.21Å; E629-K633 WeakPolarHBondContact O-CB 3.25Å; E629-K633 WeakPolarHBondContact O-CG 3.12Å; E629-K633 PolarHBondContact O-N 2.96Å; E629-K633 VanDerWaalsContact OE1-CE 3.25Å; E629-K633 WeakPolarHBondContact OE1-CE 3.45Å; E629-K633 IonicContact OE1-NZ 3.97Å; E629-K633 PolarHBondContact OE1-NZ 2.87Å; E629-K633 IonicContact OE2-NZ 2.68Å; E629-K633 PolarHBondContact OE2-NZ 2.82Å |
| 630 | F | 95.2 | Very high | 93.4 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 176.5 | -65.9 | -2.7 | 0 | 0 | 0 | 112.2 | A524 K525 L542 Y622 E626 L627 T628 L634 | A524-F630 HydrophobicContact CB-CB 4.25Å; K525-F630 HydrophobicContact CD-CD2 4.49Å; K525-F630 HydrophobicContact CD-CE1 4.28Å; K525-F630 HydrophobicContact CD-CE2 3.79Å; K525-F630 HydrophobicContact CD-CZ 3.68Å; K525-F630 HydrophobicContact CG-CD1 4.42Å; K525-F630 HydrophobicContact CG-CD2 4.38Å; K525-F630 HydrophobicContact CG-CE1 4.16Å; K525-F630 HydrophobicContact CG-CE2 4.12Å; K525-F630 HydrophobicContact CG-CZ 4.02Å; L542-F630 HydrophobicContact CD2-CB 3.83Å; Y622-F630 AromaticContact CD1-CE2 3.97Å; Y622-F630 HydrophobicContact CD1-CE2 3.97Å; Y622-F630 AromaticContact CD1-CZ 3.89Å; Y622-F630 HydrophobicContact CD1-CZ 3.89Å; Y622-F630 HydrophobicContact CD2-CE2 4.26Å; Y622-F630 AromaticContact CE1-CE2 3.75Å; Y622-F630 HydrophobicContact CE1-CE2 3.75Å; Y622-F630 AromaticContact CE1-CZ 3.6Å; Y622-F630 HydrophobicContact CE1-CZ 3.6Å; Y622-F630 HydrophobicContact CE2-CE2 4.07Å; Y622-F630 HydrophobicContact CG-CE2 4.23Å; Y622-F630 AromaticContact CZ-CE2 3.82Å; E626-F630 HydrophobicContact CB-CZ 4.45Å; E626-F630 WeakPolarHBondContact O-CD1 3.45Å; E626-F630 WeakPolarHBondContact O-CE1 3.33Å; E626-F630 WeakPolarHBondContact O-CG 3.38Å; E626-F630 PolarHBondContact O-N 3.29Å; E626-F630 VanDerWaalsContact O-N 3.08Å; L627-F630 HydrophobicContact CD2-CD2 4.16Å; L627-F630 HydrophobicContact CD2-CE2 4.36Å; T628-F630 VanDerWaalsContact C-N 3.31Å; T628-F630 PolarHBondContact O-N 3.03Å; F630-L634 WeakPolarHBondContact O-CG 3.43Å; F630-L634 PolarHBondContact O-N 3.32Å |
| 631 | K | 94.3 | Very high | 92.9 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.3 | -44.4 | 176.3 | 171 | 175.5 | 171.8 | -73 | 0 | 111.2 | L542 L546 L627 T628 E629 L634 Q635 | L542-K631 HydrophobicContact CD2-CB 4.18Å; L546-K631 HydrophobicContact CD2-CD 4.38Å; L627-K631 PolarHBondContact O-N 3.05Å; T628-K631 WeakPolarHBondContact O-CB 3.33Å; T628-K631 PolarHBondContact O-N 3.42Å; E629-K631 VanDerWaalsContact C-N 3.33Å; E629-K631 PolarHBondContact O-N 2.75Å; K631-L634 PolarHBondContact O-N 3.18Å; K631-Q635 HydrophobicContact CG-CG 4.49Å; K631-Q635 WeakPolarHBondContact O-CG 3.49Å; K631-Q635 PolarHBondContact O-N 3.34Å |
| 632 | E | 92.9 | Very high | 92.5 | Very high | 104 Ų | 104 | 53.7 Ų | 53.7 | 49% | 0.486 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 179.7 | -73.5 | 170.5 | 173.4 | 0 | 0 | 111.8 | T628 E629 L634 Q635 S636 | T628-E632 HydrophobicContact CG2-CG 4.36Å; T628-E632 WeakPolarHBondContact CG2-OE1 3.39Å; T628-E632 WeakPolarHBondContact O-CG 3.43Å; T628-E632 PolarHBondContact O-N 3.27Å; E629-E632 PolarHBondContact O-N 3.24Å; E632-L634 VanDerWaalsContact C-N 3.27Å; E632-L634 PolarHBondContact O-N 3.09Å; E632-Q635 PolarHBondContact O-N 3.02Å; E632-Q635 VanDerWaalsContact O-N 3.14Å; E632-S636 PolarHBondContact O-N 3.05Å; E632-S636 PolarHBondContact O-OG 3.3Å; E632-S636 VanDerWaalsContact O-OG 3.1Å |
| 633 | K | 92.2 | Very high | 92.1 | Very high | 110 Ų | 110 | 58.6 Ų | 58.6 | 48% | 0.478 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.2 | -35.4 | 174.7 | -76.2 | 173.7 | 179 | 170 | 0 | 113.2 | E629 K637 | E629-K633 HydrophobicContact CG-CD 4.21Å; E629-K633 WeakPolarHBondContact O-CB 3.25Å; E629-K633 WeakPolarHBondContact O-CG 3.12Å; E629-K633 PolarHBondContact O-N 2.96Å; E629-K633 VanDerWaalsContact OE1-CE 3.25Å; E629-K633 WeakPolarHBondContact OE1-CE 3.45Å; E629-K633 IonicContact OE1-NZ 3.97Å; E629-K633 PolarHBondContact OE1-NZ 2.87Å; E629-K633 IonicContact OE2-NZ 2.68Å; E629-K633 PolarHBondContact OE2-NZ 2.82Å; K633-K637 PolarHBondContact O-N 2.88Å |
| 634 | L | 92.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.2 | -41.4 | 174 | -66.5 | 171.9 | 0 | 0 | 0 | 112 | A524 L530 L535 I538 T539 L542 F630 K631 E632 S636 K637 L638 | A524-L634 HydrophobicContact CB-CD1 3.79Å; L530-L634 HydrophobicContact CD1-CD2 4.22Å; L535-L634 HydrophobicContact CD2-CD2 3.65Å; I538-L634 HydrophobicContact CB-CD1 4.43Å; I538-L634 HydrophobicContact CG2-CD1 3.67Å; T539-L634 VanDerWaalsContact OG1-CB 3.32Å; T539-L634 WeakPolarHBondContact OG1-CB 3.2Å; L542-L634 HydrophobicContact CD2-CD1 4.21Å; F630-L634 WeakPolarHBondContact O-CG 3.43Å; F630-L634 PolarHBondContact O-N 3.32Å; K631-L634 PolarHBondContact O-N 3.18Å; E632-L634 VanDerWaalsContact C-N 3.27Å; E632-L634 PolarHBondContact O-N 3.09Å; L634-S636 VanDerWaalsContact C-N 3.34Å; L634-S636 PolarHBondContact O-N 3.09Å; L634-K637 PolarHBondContact O-N 3.29Å; L634-L638 PolarHBondContact O-N 2.73Å |
| 635 | Q | 92.2 | Very high | 91.1 | Very high | 71 Ų | 71 | 57.6 Ų | 57.6 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 173.6 | -73.7 | -173.2 | -95.2 | 0 | 0 | 112 | T539 K631 E632 K637 L638 I639 | T539-Q635 HydrophobicContact CG2-CG 3.44Å; T539-Q635 VanDerWaalsContact CG2-CG 3.44Å; K631-Q635 HydrophobicContact CG-CG 4.49Å; K631-Q635 WeakPolarHBondContact O-CG 3.49Å; K631-Q635 PolarHBondContact O-N 3.34Å; E632-Q635 PolarHBondContact O-N 3.02Å; E632-Q635 VanDerWaalsContact O-N 3.14Å; Q635-K637 PolarHBondContact O-N 2.87Å; Q635-L638 WeakPolarHBondContact O-CB 3.4Å; Q635-L638 PolarHBondContact O-N 3.12Å; Q635-L638 VanDerWaalsContact O-N 3.14Å; Q635-I639 WeakPolarHBondContact O-CB 3.49Å; Q635-I639 VanDerWaalsContact O-CG1 3.26Å; Q635-I639 WeakPolarHBondContact O-CG1 3.5Å; Q635-I639 PolarHBondContact O-N 3.5Å |
| 636 | S | 90.6 | Very high | 90.6 | Very high | 64 Ų | 64 | 55.3 Ų | 55.3 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 175.6 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | E632 L634 L638 I639 E640 | E632-S636 PolarHBondContact O-N 3.05Å; E632-S636 PolarHBondContact O-OG 3.3Å; E632-S636 VanDerWaalsContact O-OG 3.1Å; L634-S636 VanDerWaalsContact C-N 3.34Å; L634-S636 PolarHBondContact O-N 3.09Å; S636-L638 VanDerWaalsContact C-N 3.29Å; S636-L638 PolarHBondContact O-N 3.19Å; S636-I639 PolarHBondContact O-N 3.44Å; S636-E640 WeakPolarHBondContact O-CG 3.46Å; S636-E640 PolarHBondContact O-N 2.91Å |
| 637 | K | 89.3 | Confident | 89.8 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 34% | 0.335 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 174.5 | -71.4 | 178.9 | 179.3 | -178.9 | 0 | 112.3 | L535 K633 L634 Q635 F641 | L535-K637 HydrophobicContact CD1-CB 4.19Å; L535-K637 HydrophobicContact CD2-CB 4.34Å; L535-K637 HydrophobicContact CD2-CD 4.18Å; K633-K637 PolarHBondContact O-N 2.88Å; L634-K637 PolarHBondContact O-N 3.29Å; Q635-K637 PolarHBondContact O-N 2.87Å; K637-F641 PolarHBondContact O-N 3.49Å |
| 638 | L | 89.6 | Confident | 88.9 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 177.1 | -154.1 | 79.9 | 0 | 0 | 0 | 111.9 | V532 L535 L634 Q635 S636 F641 E642 | V532-L638 HydrophobicContact CG1-CD1 4.48Å; L535-L638 HydrophobicContact CB-CD1 3.8Å; L634-L638 PolarHBondContact O-N 2.73Å; Q635-L638 WeakPolarHBondContact O-CB 3.4Å; Q635-L638 PolarHBondContact O-N 3.12Å; Q635-L638 VanDerWaalsContact O-N 3.14Å; S636-L638 VanDerWaalsContact C-N 3.29Å; S636-L638 PolarHBondContact O-N 3.19Å; L638-F641 PolarHBondContact O-N 3.45Å; L638-E642 PolarHBondContact O-N 3.02Å |
| 639 | I | 90.2 | Very high | 88 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 46% | 0.462 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 175 | -69.2 | 162.8 | 0 | 0 | 0 | 110.5 | Q635 S636 F641 E642 Q643 | Q635-I639 WeakPolarHBondContact O-CB 3.49Å; Q635-I639 VanDerWaalsContact O-CG1 3.26Å; Q635-I639 WeakPolarHBondContact O-CG1 3.5Å; Q635-I639 PolarHBondContact O-N 3.5Å; S636-I639 PolarHBondContact O-N 3.44Å; I639-F641 VanDerWaalsContact C-N 3.29Å; I639-F641 PolarHBondContact O-N 2.78Å; I639-E642 PolarHBondContact O-N 2.68Å; I639-Q643 HydrophobicContact CG2-CG 4.23Å; I639-Q643 VanDerWaalsContact O-CB 3.26Å; I639-Q643 WeakPolarHBondContact O-CB 3.17Å; I639-Q643 WeakPolarHBondContact O-CG 3.31Å; I639-Q643 PolarHBondContact O-N 3.41Å |
| 640 | E | 87.8 | Confident | 87 | Confident | 68 Ų | 68 | 62.8 Ų | 62.8 | 32% | 0.318 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 173.7 | -72.7 | -176.8 | 114 | 0 | 0 | 112.2 | S636 W644 R786 | S636-E640 WeakPolarHBondContact O-CG 3.46Å; S636-E640 PolarHBondContact O-N 2.91Å; E640-W644 WeakPolarHBondContact O-CB 3.38Å; E640-W644 PolarHBondContact O-N 3.4Å; E640-R786 IonicContact OE1-CZ 2.72Å; E640-R786 VanDerWaalsContact OE1-CZ 3.26Å; E640-R786 IonicContact OE1-NH1 2.73Å; E640-R786 PolarHBondContact OE1-NH1 3.35Å; E640-R786 IonicContact OE1-NH2 2.74Å; E640-R786 PolarHBondContact OE1-NH2 2.76Å; E640-R786 IonicContact OE2-CZ 2.76Å; E640-R786 IonicContact OE2-NH1 3.25Å; E640-R786 PolarHBondContact OE2-NH1 3.36Å; E640-R786 IonicContact OE2-NH2 3.45Å |
| 641 | F | 86.4 | Confident | 85.9 | Confident | 10 Ų | 10 | 65.2 Ų | 65.2 | 4% | 0.044 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.3 | -49.6 | 174.5 | 172.1 | -103.9 | 0 | 0 | 0 | 112 | V532 K637 L638 I639 Q643 W644 K645 Y788 P789 L792 | V532-F641 HydrophobicContact CB-CE1 4.41Å; V532-F641 HydrophobicContact CG1-CD1 3.77Å; V532-F641 HydrophobicContact CG1-CE1 3.65Å; V532-F641 HydrophobicContact CG1-CG 4.48Å; V532-F641 HydrophobicContact CG1-CZ 4.29Å; V532-F641 HydrophobicContact CG2-CD1 3.88Å; V532-F641 HydrophobicContact CG2-CD2 3.78Å; V532-F641 HydrophobicContact CG2-CE1 3.95Å; V532-F641 HydrophobicContact CG2-CE2 3.86Å; V532-F641 HydrophobicContact CG2-CG 3.78Å; V532-F641 HydrophobicContact CG2-CZ 3.94Å; K637-F641 PolarHBondContact O-N 3.49Å; L638-F641 PolarHBondContact O-N 3.45Å; I639-F641 VanDerWaalsContact C-N 3.29Å; I639-F641 PolarHBondContact O-N 2.78Å; F641-Q643 VanDerWaalsContact C-N 3.32Å; F641-Q643 PolarHBondContact O-N 2.97Å; F641-W644 HydrophobicContact CD2-CE3 4.02Å; F641-W644 HydrophobicContact CD2-CZ3 4.31Å; F641-W644 AromaticContact CE2-CE3 3.9Å; F641-W644 HydrophobicContact CE2-CE3 3.9Å; F641-W644 AromaticContact CE2-CZ3 3.81Å; F641-W644 HydrophobicContact CE2-CZ3 3.81Å; F641-W644 PolarHBondContact O-N 2.9Å; F641-K645 HydrophobicContact CE1-CD 3.77Å; F641-K645 HydrophobicContact CZ-CB 4.46Å; F641-K645 HydrophobicContact CZ-CD 3.97Å; F641-K645 VanDerWaalsContact O-CB 3.24Å; F641-K645 WeakPolarHBondContact O-CB 3.49Å; F641-K645 PolarHBondContact O-N 2.84Å; F641-Y788 HydrophobicContact CB-CE1 4.07Å; F641-Y788 AromaticContact CD2-CD1 3.84Å; F641-Y788 HydrophobicContact CD2-CD1 3.84Å; F641-Y788 HydrophobicContact CD2-CD2 4.02Å; F641-Y788 HydrophobicContact CD2-CE1 4.17Å; F641-Y788 HydrophobicContact CD2-CE2 4.34Å; F641-Y788 AromaticContact CD2-CG 3.75Å; F641-Y788 HydrophobicContact CD2-CG 3.75Å; F641-Y788 HydrophobicContact CE2-CG 4.3Å; F641-P789 HydrophobicContact CE2-CG 4.31Å; F641-P789 HydrophobicContact CZ-CG 4.4Å; F641-L792 HydrophobicContact CZ-CD1 4.39Å |
| 642 | E | 87.7 | Confident | 84.5 | Confident | 66 Ų | 66 | 64.6 Ų | 64.6 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -35.9 | 177.4 | -74.1 | -60 | 137.9 | 0 | 0 | 112 | L638 I639 K645 N646 | L638-E642 PolarHBondContact O-N 3.02Å; I639-E642 PolarHBondContact O-N 2.68Å; E642-K645 PolarHBondContact O-N 3.24Å; E642-K645 WeakPolarHBondContact OE1-CD 3.49Å; E642-K645 IonicContact OE1-NZ 2.67Å; E642-K645 PolarHBondContact OE1-NZ 3.36Å; E642-K645 WeakPolarHBondContact OE2-CD 3.42Å; E642-K645 WeakPolarHBondContact OE2-CE 3.49Å; E642-K645 IonicContact OE2-NZ 3.17Å; E642-K645 PolarHBondContact OE2-NZ 3.49Å; E642-N646 WeakPolarHBondContact O-CB 3.34Å; E642-N646 PolarHBondContact O-N 2.88Å; E642-N646 PolarHBondContact O-ND2 3.21Å; E642-N646 VanDerWaalsContact O-ND2 3.14Å |
| 643 | Q | 88 | Confident | 82.9 | Confident | 108 Ų | 108 | 65.3 Ų | 65.3 | 51% | 0.505 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 171.1 | -76.5 | 178.1 | 6.2 | 0 | 0 | 111.8 | I639 F641 N646 Q647 | I639-Q643 HydrophobicContact CG2-CG 4.23Å; I639-Q643 VanDerWaalsContact O-CB 3.26Å; I639-Q643 WeakPolarHBondContact O-CB 3.17Å; I639-Q643 WeakPolarHBondContact O-CG 3.31Å; I639-Q643 PolarHBondContact O-N 3.41Å; F641-Q643 VanDerWaalsContact C-N 3.32Å; F641-Q643 PolarHBondContact O-N 2.97Å; Q643-N646 PolarHBondContact O-N 3.14Å; Q643-Q647 WeakPolarHBondContact O-CB 3.44Å; Q643-Q647 VanDerWaalsContact O-CG 3.24Å; Q643-Q647 WeakPolarHBondContact O-CG 3.46Å; Q643-Q647 PolarHBondContact O-N 3.35Å |
| 644 | W | 87.3 | Confident | 81.2 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 2% | 0.019 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 176.2 | 172.4 | 82.5 | 0 | 0 | 0 | 112.2 | E640 F641 N646 Q647 I648 L779 G783 Y788 L792 V793 L796 | E640-W644 WeakPolarHBondContact O-CB 3.38Å; E640-W644 PolarHBondContact O-N 3.4Å; F641-W644 HydrophobicContact CD2-CE3 4.02Å; F641-W644 HydrophobicContact CD2-CZ3 4.31Å; F641-W644 AromaticContact CE2-CE3 3.9Å; F641-W644 HydrophobicContact CE2-CE3 3.9Å; F641-W644 AromaticContact CE2-CZ3 3.81Å; F641-W644 HydrophobicContact CE2-CZ3 3.81Å; F641-W644 PolarHBondContact O-N 2.9Å; W644-N646 VanDerWaalsContact C-N 3.34Å; W644-N646 PolarHBondContact O-N 2.8Å; W644-Q647 PolarHBondContact O-N 3.44Å; W644-I648 HydrophobicContact CD2-CD1 3.61Å; W644-I648 HydrophobicContact CE3-CD1 3.86Å; W644-I648 HydrophobicContact CG-CD1 4.33Å; W644-I648 HydrophobicContact CH2-CD1 3.61Å; W644-I648 HydrophobicContact CZ2-CD1 3.33Å; W644-I648 HydrophobicContact CZ3-CD1 3.86Å; W644-I648 WeakPolarHBondContact O-CG1 3.47Å; W644-I648 PolarHBondContact O-N 3.04Å; W644-L779 PolarHBondContact NE1-O 2.81Å; W644-G783 VanDerWaalsContact CZ2-CA 3.46Å; W644-Y788 HydrophobicContact CB-CD2 4.4Å; W644-Y788 HydrophobicContact CB-CE2 3.82Å; W644-Y788 AromaticContact CD2-CD2 3.41Å; W644-Y788 HydrophobicContact CD2-CD2 3.41Å; W644-Y788 VanDerWaalsContact CD2-CD2 3.41Å; W644-Y788 AromaticContact CD2-CE2 3.77Å; W644-Y788 HydrophobicContact CD2-CE2 3.77Å; W644-Y788 AromaticContact CE2-CD2 3.81Å; W644-Y788 AromaticContact CE3-CD2 3.41Å; W644-Y788 HydrophobicContact CE3-CD2 3.41Å; W644-Y788 VanDerWaalsContact CE3-CD2 3.41Å; W644-Y788 HydrophobicContact CE3-CE2 4.01Å; W644-Y788 HydrophobicContact CE3-CG 4.2Å; W644-Y788 AromaticContact CG-CD2 3.9Å; W644-Y788 HydrophobicContact CG-CD2 3.9Å; W644-Y788 AromaticContact CG-CE2 3.72Å; W644-Y788 HydrophobicContact CG-CE2 3.72Å; W644-Y788 HydrophobicContact CH2-CD2 4.19Å; W644-Y788 HydrophobicContact CZ2-CD2 4.19Å; W644-Y788 AromaticContact CZ3-CD2 3.82Å; W644-Y788 HydrophobicContact CZ3-CD2 3.82Å; W644-Y788 HydrophobicContact CZ3-CG 4.25Å; W644-L792 HydrophobicContact CH2-CB 4.47Å; W644-L792 HydrophobicContact CH2-CD2 3.97Å; W644-L792 HydrophobicContact CZ3-CB 4.47Å; W644-L792 HydrophobicContact CZ3-CD1 4.49Å; W644-L792 HydrophobicContact CZ3-CD2 3.89Å; W644-V793 HydrophobicContact CH2-CG2 3.8Å; W644-V793 HydrophobicContact CZ2-CG2 4.17Å; W644-L796 HydrophobicContact CZ2-CD2 4.3Å |
| 645 | K | 82.2 | Confident | 79.3 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 24% | 0.239 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 174.4 | 174 | -179.3 | 162.3 | -144.2 | 0 | 111.7 | F641 E642 I648 K649 L792 | F641-K645 HydrophobicContact CE1-CD 3.77Å; F641-K645 HydrophobicContact CZ-CB 4.46Å; F641-K645 HydrophobicContact CZ-CD 3.97Å; F641-K645 VanDerWaalsContact O-CB 3.24Å; F641-K645 WeakPolarHBondContact O-CB 3.49Å; F641-K645 PolarHBondContact O-N 2.84Å; E642-K645 PolarHBondContact O-N 3.24Å; E642-K645 WeakPolarHBondContact OE1-CD 3.49Å; E642-K645 IonicContact OE1-NZ 2.67Å; E642-K645 PolarHBondContact OE1-NZ 3.36Å; E642-K645 WeakPolarHBondContact OE2-CD 3.42Å; E642-K645 WeakPolarHBondContact OE2-CE 3.49Å; E642-K645 IonicContact OE2-NZ 3.17Å; E642-K645 PolarHBondContact OE2-NZ 3.49Å; K645-I648 PolarHBondContact O-N 2.97Å; K645-K649 WeakPolarHBondContact O-CG 3.49Å; K645-K649 PolarHBondContact O-N 2.95Å; K645-L792 HydrophobicContact CG-CD1 4.43Å |
| 646 | N | 83.4 | Confident | 76.9 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -75.7 | -32.7 | 175.6 | -70.5 | -28 | 0 | 0 | 0 | 112.6 | E642 Q643 W644 I648 K649 N650 | E642-N646 WeakPolarHBondContact O-CB 3.34Å; E642-N646 PolarHBondContact O-N 2.88Å; E642-N646 PolarHBondContact O-ND2 3.21Å; E642-N646 VanDerWaalsContact O-ND2 3.14Å; Q643-N646 PolarHBondContact O-N 3.14Å; W644-N646 VanDerWaalsContact C-N 3.34Å; W644-N646 PolarHBondContact O-N 2.8Å; N646-I648 VanDerWaalsContact C-N 3.33Å; N646-K649 PolarHBondContact O-N 3.23Å; N646-N650 WeakPolarHBondContact O-CB 3.35Å; N646-N650 PolarHBondContact O-N 2.77Å; N646-N650 PolarHBondContact O-OD1 3.35Å |
| 647 | Q | 79.3 | Confident | 74.5 | Confident | 95 Ų | 95 | 70.1 Ų | 70.1 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 168.7 | -77.1 | 174.4 | 32.4 | 0 | 0 | 111.4 | Q643 W644 K651 L779 | Q643-Q647 WeakPolarHBondContact O-CB 3.44Å; Q643-Q647 VanDerWaalsContact O-CG 3.24Å; Q643-Q647 WeakPolarHBondContact O-CG 3.46Å; Q643-Q647 PolarHBondContact O-N 3.35Å; W644-Q647 PolarHBondContact O-N 3.44Å; Q647-K651 VanDerWaalsContact O-CB 3.22Å; Q647-K651 WeakPolarHBondContact O-CB 3.12Å; Q647-K651 PolarHBondContact O-N 2.89Å; Q647-L779 HydrophobicContact CB-CD2 4.34Å |
| 648 | I | 75.7 | Confident | 72.1 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 8% | 0.082 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.5 | -52.9 | 172.3 | -71.2 | 164.9 | 0 | 0 | 0 | 110.5 | W644 K645 N646 N650 K651 V652 L779 L792 L796 | W644-I648 HydrophobicContact CD2-CD1 3.61Å; W644-I648 HydrophobicContact CE3-CD1 3.86Å; W644-I648 HydrophobicContact CG-CD1 4.33Å; W644-I648 HydrophobicContact CH2-CD1 3.61Å; W644-I648 HydrophobicContact CZ2-CD1 3.33Å; W644-I648 HydrophobicContact CZ3-CD1 3.86Å; W644-I648 WeakPolarHBondContact O-CG1 3.47Å; W644-I648 PolarHBondContact O-N 3.04Å; K645-I648 PolarHBondContact O-N 2.97Å; N646-I648 VanDerWaalsContact C-N 3.33Å; I648-N650 VanDerWaalsContact C-N 3.34Å; I648-N650 PolarHBondContact O-N 3.14Å; I648-K651 PolarHBondContact O-N 3.33Å; I648-V652 HydrophobicContact CG2-CG2 4.19Å; I648-V652 VanDerWaalsContact O-CB 3.29Å; I648-V652 WeakPolarHBondContact O-CB 3.29Å; I648-V652 VanDerWaalsContact O-CG2 3.27Å; I648-V652 WeakPolarHBondContact O-CG2 3.48Å; I648-V652 PolarHBondContact O-N 2.99Å; I648-L779 HydrophobicContact CG1-CD1 4.11Å; I648-L792 HydrophobicContact CD1-CD2 4.02Å; I648-L796 HydrophobicContact CD1-CD2 3.76Å; I648-L796 HydrophobicContact CG1-CD2 4.14Å; I648-L796 HydrophobicContact CG2-CD1 4.5Å |
| 649 | K | 76.7 | Confident | 69.5 | Low | 95 Ų | 95 | 72.7 Ų | 72.7 | 41% | 0.413 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -52.1 | -54.1 | 176.9 | -80.4 | -171.8 | 168.8 | -166 | 0 | 110.1 | K645 N646 F653 S706 | K645-K649 WeakPolarHBondContact O-CG 3.49Å; K645-K649 PolarHBondContact O-N 2.95Å; N646-K649 PolarHBondContact O-N 3.23Å; K649-F653 WeakPolarHBondContact O-CB 3.46Å; K649-F653 PolarHBondContact O-N 3.43Å; K649-S706 PolarHBondContact NZ-O 2.95Å |
| 650 | N | 73.9 | Confident | 66.9 | Low | 102 Ų | 102 | 73.3 Ų | 73.3 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.4 | -47.1 | -176.8 | -65.7 | 2 | 0 | 0 | 0 | 112.1 | N646 I648 V652 F653 S654 | N646-N650 WeakPolarHBondContact O-CB 3.35Å; N646-N650 PolarHBondContact O-N 2.77Å; N646-N650 PolarHBondContact O-OD1 3.35Å; I648-N650 VanDerWaalsContact C-N 3.34Å; I648-N650 PolarHBondContact O-N 3.14Å; N650-V652 PolarHBondContact O-N 2.85Å; N650-F653 PolarHBondContact O-N 3.15Å; N650-S654 WeakPolarHBondContact O-CB 3.34Å; N650-S654 PolarHBondContact O-N 3.42Å; N650-S654 PolarHBondContact O-OG 3.04Å; N650-S654 VanDerWaalsContact O-OG 3.07Å |
| 651 | K | 71.8 | Confident | 64.6 | Low | 68 Ų | 68 | 74.4 Ų | 74.4 | 30% | 0.296 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 178.9 | -80.5 | -176.5 | 156.8 | -172.1 | 0 | 112.1 | Q647 I648 A655 L771 D775 L779 | Q647-K651 VanDerWaalsContact O-CB 3.22Å; Q647-K651 WeakPolarHBondContact O-CB 3.12Å; Q647-K651 PolarHBondContact O-N 2.89Å; I648-K651 PolarHBondContact O-N 3.33Å; K651-A655 WeakPolarHBondContact O-CB 3.24Å; K651-A655 PolarHBondContact O-N 2.62Å; K651-A655 VanDerWaalsContact O-N 3.1Å; K651-L771 HydrophobicContact CB-CD1 3.78Å; K651-L771 HydrophobicContact CB-CD2 4.12Å; K651-L771 HydrophobicContact CD-CD1 3.59Å; K651-L771 HydrophobicContact CG-CD1 3.86Å; K651-L771 WeakPolarHBondContact O-CD2 3.49Å; K651-D775 IonicContact NZ-OD1 3.23Å; K651-D775 PolarHBondContact NZ-OD1 2.9Å; K651-L779 HydrophobicContact CD-CD1 4Å |
| 652 | V | 66 | Low | 62.1 | Low | 40 Ų | 40 | 76.3 Ų | 76.3 | 24% | 0.242 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 111 | I648 N650 A655 M656 | I648-V652 HydrophobicContact CG2-CG2 4.19Å; I648-V652 VanDerWaalsContact O-CB 3.29Å; I648-V652 WeakPolarHBondContact O-CB 3.29Å; I648-V652 VanDerWaalsContact O-CG2 3.27Å; I648-V652 WeakPolarHBondContact O-CG2 3.48Å; I648-V652 PolarHBondContact O-N 2.99Å; N650-V652 PolarHBondContact O-N 2.85Å; V652-A655 WeakPolarHBondContact O-CB 3.33Å; V652-A655 PolarHBondContact O-N 3.05Å; V652-M656 HydrophobicContact CG1-SD 4.07Å; V652-M656 WeakPolarHBondContact O-CG 3.33Å; V652-M656 PolarHBondContact O-N 2.95Å |
| 653 | F | 58.6 | Low | 59.6 | Low | 119 Ų | 119 | 76 Ų | 76 | 52% | 0.522 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.5 | -44 | -179.7 | -167.2 | -112.3 | 0 | 0 | 0 | 112.1 | K649 N650 A655 M656 Q657 | K649-F653 WeakPolarHBondContact O-CB 3.46Å; K649-F653 PolarHBondContact O-N 3.43Å; N650-F653 PolarHBondContact O-N 3.15Å; F653-A655 VanDerWaalsContact C-N 3.27Å; F653-A655 PolarHBondContact O-N 2.97Å; F653-M656 CarbonylContact O-C 3.4Å; F653-M656 WeakPolarHBondContact O-CA 3.42Å; F653-M656 PolarHBondContact O-N 3.44Å; F653-Q657 HydrophobicContact CD1-CG 4.05Å; F653-Q657 VanDerWaalsContact CD1-OE1 3.3Å; F653-Q657 HydrophobicContact CE1-CG 3.98Å; F653-Q657 VanDerWaalsContact CE1-NE2 3.32Å; F653-Q657 HydrophobicContact CG-CG 4.46Å; F653-Q657 HydrophobicContact CZ-CG 4.31Å; F653-Q657 WeakPolarHBondContact O-CB 3.49Å; F653-Q657 WeakPolarHBondContact O-CG 3.21Å; F653-Q657 PolarHBondContact O-N 2.93Å |
| 654 | S | 56.1 | Low | 57 | Low | 63 Ų | 63 | 76.5 Ų | 76.5 | 44% | 0.441 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.4 | -27.7 | 173.4 | -59.2 | 0 | 0 | 0 | 0 | 113.2 | N650 N658 | N650-S654 WeakPolarHBondContact O-CB 3.34Å; N650-S654 PolarHBondContact O-N 3.42Å; N650-S654 PolarHBondContact O-OG 3.04Å; N650-S654 VanDerWaalsContact O-OG 3.07Å; S654-N658 PolarHBondContact O-ND2 2.85Å |
| 655 | A | 51.9 | Low | 54.4 | Low | 49 Ų | 49 | 81.5 Ų | 81.5 | 41% | 0.405 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -72.3 | -29.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K651 V652 F653 L771 | K651-A655 WeakPolarHBondContact O-CB 3.24Å; K651-A655 PolarHBondContact O-N 2.62Å; K651-A655 VanDerWaalsContact O-N 3.1Å; V652-A655 WeakPolarHBondContact O-CB 3.33Å; V652-A655 PolarHBondContact O-N 3.05Å; F653-A655 VanDerWaalsContact C-N 3.27Å; F653-A655 PolarHBondContact O-N 2.97Å; A655-L771 HydrophobicContact CB-CD2 3.87Å |
| 656 | M | 42.2 | Very low | 52.1 | Low | 121 Ų | 121 | 81.8 Ų | 81.8 | 60% | 0.596 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -84.9 | -22.7 | 174.5 | -67.3 | 179.1 | 75.9 | 0 | 0 | 113.7 | V652 F653 T662 | V652-M656 HydrophobicContact CG1-SD 4.07Å; V652-M656 WeakPolarHBondContact O-CG 3.33Å; V652-M656 PolarHBondContact O-N 2.95Å; F653-M656 CarbonylContact O-C 3.4Å; F653-M656 WeakPolarHBondContact O-CA 3.42Å; F653-M656 PolarHBondContact O-N 3.44Å; M656-T662 WeakPolarHBondContact O-CG2 3.43Å |
| 657 | Q | 39.4 | Very low | 49.8 | Very low | 115 Ų | 115 | 79.7 Ų | 79.7 | 54% | 0.537 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -80.6 | -13.5 | 179.4 | -78.4 | -175.2 | -57.8 | 0 | 0 | 113.9 | F653 P659 | F653-Q657 HydrophobicContact CD1-CG 4.05Å; F653-Q657 VanDerWaalsContact CD1-OE1 3.3Å; F653-Q657 HydrophobicContact CE1-CG 3.98Å; F653-Q657 VanDerWaalsContact CE1-NE2 3.32Å; F653-Q657 HydrophobicContact CG-CG 4.46Å; F653-Q657 HydrophobicContact CZ-CG 4.31Å; F653-Q657 WeakPolarHBondContact O-CB 3.49Å; F653-Q657 WeakPolarHBondContact O-CG 3.21Å; F653-Q657 PolarHBondContact O-N 2.93Å; Q657-P659 WeakPolarHBondContact O-CD 3.45Å |
| 658 | N | 40.6 | Very low | 47.6 | Very low | 81 Ų | 81 | 77.6 Ų | 77.6 | 43% | 0.433 | 43% | 0.429 | S | S | . | . | trans | -73.3 | 107.3 | 175.1 | -94.1 | -80.3 | 0 | 0 | 0 | 110.7 | S654 V660 T662 | S654-N658 PolarHBondContact O-ND2 2.85Å; N658-V660 PolarHBondContact O-N 3.25Å; N658-V660 VanDerWaalsContact O-N 3.08Å; N658-T662 PolarHBondContact O-OG1 3.45Å | ||
| 659 | P | 33.7 | Very low | 45.6 | Very low | 93 Ų | 93 | 82.9 Ų | 82.9 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72.3 | -11.1 | -166.3 | -18.8 | 34.2 | 0 | 0 | 0 | 114.6 | Q657 V663 | Q657-P659 WeakPolarHBondContact O-CD 3.45Å; P659-V663 WeakPolarHBondContact O-CG2 3.43Å |
| 660 | V | 36.5 | Very low | 43.5 | Very low | 103 Ų | 103 | 86.1 Ų | 86.1 | 62% | 0.624 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -84.3 | -21.4 | -172.5 | -176.4 | 0 | 0 | 0 | 0 | 112.7 | N658 K664 | N658-V660 PolarHBondContact O-N 3.25Å; N658-V660 VanDerWaalsContact O-N 3.08Å; V660-K664 WeakPolarHBondContact O-CE 3.36Å |
| 661 | D | 39.3 | Very low | 41.6 | Very low | 90 Ų | 90 | 83.3 Ų | 83.3 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -111.9 | -27.7 | -177 | -72.2 | -37.6 | 0 | 0 | 0 | 113.9 | V663 K664 L665 | D661-V663 VanDerWaalsContact C-N 3.3Å; D661-V663 PolarHBondContact O-N 3.07Å; D661-K664 WeakPolarHBondContact O-CB 3.45Å; D661-K664 PolarHBondContact O-N 3.17Å; D661-K664 IonicContact OD1-NZ 3.41Å; D661-K664 PolarHBondContact OD1-NZ 3.45Å; D661-L665 PolarHBondContact O-N 3.44Å |
| 662 | T | 34 | Very low | 39.7 | Very low | 51 Ų | 51 | 84.2 Ų | 84.2 | 31% | 0.313 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -35.5 | 172.8 | 45 | 0 | 0 | 0 | 0 | 113 | M656 N658 K664 L665 S666 | M656-T662 WeakPolarHBondContact O-CG2 3.43Å; N658-T662 PolarHBondContact O-OG1 3.45Å; T662-K664 VanDerWaalsContact C-N 3.32Å; T662-K664 PolarHBondContact O-N 3.37Å; T662-L665 PolarHBondContact O-N 3.24Å; T662-S666 PolarHBondContact O-N 3.09Å |
| 663 | V | 34.3 | Very low | 38 | Very low | 60 Ų | 60 | 87.5 Ų | 87.5 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | P659 D661 S666 S667 P755 | P659-V663 WeakPolarHBondContact O-CG2 3.43Å; D661-V663 VanDerWaalsContact C-N 3.3Å; D661-V663 PolarHBondContact O-N 3.07Å; V663-S666 PolarHBondContact O-N 3.03Å; V663-S666 PolarHBondContact O-OG 3.17Å; V663-S667 PolarHBondContact O-N 3.45Å; V663-S667 PolarHBondContact O-OG 3.12Å; V663-P755 HydrophobicContact CG1-CB 4.08Å; V663-P755 HydrophobicContact CG1-CG 3.87Å |
| 664 | K | 33.7 | Very low | 36.5 | Very low | 118 Ų | 118 | 87 Ų | 87 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 177.2 | -60.9 | 172.3 | -165.2 | 150.9 | 0 | 111.9 | V660 D661 T662 S666 S667 A668 | V660-K664 WeakPolarHBondContact O-CE 3.36Å; D661-K664 WeakPolarHBondContact O-CB 3.45Å; D661-K664 PolarHBondContact O-N 3.17Å; D661-K664 IonicContact OD1-NZ 3.41Å; D661-K664 PolarHBondContact OD1-NZ 3.45Å; T662-K664 VanDerWaalsContact C-N 3.32Å; T662-K664 PolarHBondContact O-N 3.37Å; K664-S666 VanDerWaalsContact C-N 3.3Å; K664-S666 PolarHBondContact O-N 3.41Å; K664-S667 WeakPolarHBondContact CA-OG 3.39Å; K664-S667 PolarHBondContact O-N 2.89Å; K664-S667 PolarHBondContact O-OG 3.25Å; K664-A668 WeakPolarHBondContact O-CB 3.33Å; K664-A668 PolarHBondContact O-N 3.43Å |
| 665 | L | 33.9 | Very low | 35 | Very low | 110 Ų | 110 | 87.6 Ų | 87.6 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.6 | -41.5 | 178.1 | -138.8 | 80.5 | 0 | 0 | 0 | 111.4 | D661 T662 A668 L669 | D661-L665 PolarHBondContact O-N 3.44Å; T662-L665 PolarHBondContact O-N 3.24Å; L665-A668 PolarHBondContact O-N 3.22Å; L665-L669 PolarHBondContact O-N 2.83Å; L665-L669 VanDerWaalsContact O-N 3.08Å |
| 666 | S | 33.1 | Very low | 33.9 | Very low | 61 Ų | 61 | 91.9 Ų | 91.9 | 43% | 0.427 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.6 | -35.3 | 179.4 | 77 | 0 | 0 | 0 | 0 | 113.8 | T662 V663 K664 K670 | T662-S666 PolarHBondContact O-N 3.09Å; V663-S666 PolarHBondContact O-N 3.03Å; V663-S666 PolarHBondContact O-OG 3.17Å; K664-S666 VanDerWaalsContact C-N 3.3Å; K664-S666 PolarHBondContact O-N 3.41Å; S666-K670 PolarHBondContact O-N 3.48Å |
| 667 | S | 35.7 | Very low | 33 | Very low | 24 Ų | 24 | 91.9 Ų | 91.9 | 17% | 0.168 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 170.2 | 34.1 | 0 | 0 | 0 | 0 | 112.2 | V663 K664 L669 K670 T671 S753 | V663-S667 PolarHBondContact O-N 3.45Å; V663-S667 PolarHBondContact O-OG 3.12Å; K664-S667 WeakPolarHBondContact CA-OG 3.39Å; K664-S667 PolarHBondContact O-N 2.89Å; K664-S667 PolarHBondContact O-OG 3.25Å; S667-L669 VanDerWaalsContact C-N 3.34Å; S667-L669 PolarHBondContact O-N 3.16Å; S667-K670 PolarHBondContact O-N 3.36Å; S667-T671 PolarHBondContact O-N 3.35Å; S667-T671 PolarHBondContact O-OG1 3.49Å; S667-S753 WeakPolarHBondContact CB-O 3.35Å |
| 668 | A | 32.2 | Very low | 32.4 | Very low | 51 Ų | 51 | 90.6 Ų | 90.6 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K664 L665 K670 T671 A672 | K664-A668 WeakPolarHBondContact O-CB 3.33Å; K664-A668 PolarHBondContact O-N 3.43Å; L665-A668 PolarHBondContact O-N 3.22Å; A668-K670 VanDerWaalsContact C-N 3.31Å; A668-K670 PolarHBondContact O-N 2.85Å; A668-T671 PolarHBondContact O-OG1 2.91Å; A668-A672 VanDerWaalsContact O-CB 3.3Å; A668-A672 WeakPolarHBondContact O-CB 3.38Å; A668-A672 PolarHBondContact O-N 3.14Å; A668-A672 VanDerWaalsContact O-N 3.16Å |
| 669 | L | 34.4 | Very low | 31.9 | Very low | 126 Ų | 126 | 90.7 Ų | 90.7 | 66% | 0.66 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.5 | -29.2 | 173.2 | -99.1 | 75.1 | 0 | 0 | 0 | 113.2 | L665 S667 T673 | L665-L669 PolarHBondContact O-N 2.83Å; L665-L669 VanDerWaalsContact O-N 3.08Å; S667-L669 VanDerWaalsContact C-N 3.34Å; S667-L669 PolarHBondContact O-N 3.16Å; L669-T673 PolarHBondContact O-OG1 3.39Å |
| 670 | K | 32.5 | Very low | 31.6 | Very low | 163 Ų | 163 | 90 Ų | 90 | 71% | 0.709 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -80.8 | -31.9 | 178.7 | -77.4 | -173.2 | 173.1 | -173.4 | 0 | 113.6 | S666 S667 A668 T673 | S666-K670 PolarHBondContact O-N 3.48Å; S667-K670 PolarHBondContact O-N 3.36Å; A668-K670 VanDerWaalsContact C-N 3.31Å; A668-K670 PolarHBondContact O-N 2.85Å; K670-T673 PolarHBondContact O-OG1 2.88Å; K670-T673 VanDerWaalsContact O-OG1 3.05Å |
| 671 | T | 34.4 | Very low | 31.1 | Very low | 44 Ų | 44 | 90.7 Ų | 90.7 | 27% | 0.27 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -81 | -25.4 | 175.6 | 49.7 | 0 | 0 | 0 | 0 | 113.2 | S667 A668 T673 | S667-T671 PolarHBondContact O-N 3.35Å; S667-T671 PolarHBondContact O-OG1 3.49Å; A668-T671 PolarHBondContact O-OG1 2.91Å; T671-T673 PolarHBondContact O-N 2.95Å |
| 672 | A | 31.8 | Very low | 30.5 | Very low | 87 Ų | 87 | 91.8 Ų | 91.8 | 72% | 0.719 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -7.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A668 | A668-A672 VanDerWaalsContact O-CB 3.3Å; A668-A672 WeakPolarHBondContact O-CB 3.38Å; A668-A672 PolarHBondContact O-N 3.14Å; A668-A672 VanDerWaalsContact O-N 3.16Å |
| 673 | T | 30.2 | Very low | 30.2 | Very low | 109 Ų | 109 | 96.1 Ų | 96.1 | 67% | 0.669 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 2.2 | -172.7 | 43.4 | 0 | 0 | 0 | 0 | 115.4 | L669 K670 T671 | L669-T673 PolarHBondContact O-OG1 3.39Å; K670-T673 PolarHBondContact O-OG1 2.88Å; K670-T673 VanDerWaalsContact O-OG1 3.05Å; T671-T673 PolarHBondContact O-N 2.95Å |
| 674 | T | 26.5 | Very low | 29.8 | Very low | 108 Ų | 108 | 99.2 Ų | 99.2 | 66% | 0.663 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -142.6 | 64.8 | -173.8 | 54.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 675 | T | 25.8 | Very low | 29.4 | Very low | 75 Ų | 75 | 102.5 Ų | 102.5 | 46% | 0.46 | 57% | 0.571 | S | S | . | * | trans | -157.3 | 123 | 153.1 | 12.3 | 0 | 0 | 0 | 0 | 114.1 | T750 | T675-T750 WeakPolarHBondContact CG2-O 3.35Å; T675-T750 PolarHBondContact OG1-O 3.24Å | ||
| 676 | N | 27.4 | Very low | 29.2 | Very low | 139 Ų | 139 | 103.2 Ų | 103.2 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | trans | 71.1 | 152.1 | 147.9 | -57.7 | -12 | 0 | 0 | 0 | 122.2 | ||||
| 677 | T | 23.8 | Very low | 28.9 | Very low | 122 Ų | 122 | 103.8 Ų | 103.8 | 75% | 0.748 | 60% | 0.601 | S | S | * | * | trans | -138.4 | 174.5 | -177.9 | 51.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 678 | T | 25.9 | Very low | 28.6 | Very low | 88 Ų | 88 | 110 Ų | 110 | 54% | 0.54 | 63% | 0.632 | S | S | . | * | trans | 86.6 | 123.4 | 149.8 | 34.3 | 0 | 0 | 0 | 0 | 122.8 | K745 | T678-K745 CarbonylContact C-O 3.43Å; T678-K745 WeakPolarHBondContact CA-O 3.48Å; T678-K745 PolarHBondContact N-O 3.35Å | ||
| 679 | T | 30.3 | Very low | 28.4 | Very low | 83 Ų | 83 | 113.7 Ų | 113.7 | 51% | 0.509 | 65% | 0.645 | S | S | . | * | trans | 79 | 110.9 | 139.2 | 53.7 | 0 | 0 | 0 | 0 | 122.6 | N744 K745 N746 | T679-N744 PolarHBondContact N-O 3.34Å; T679-K745 PolarHBondContact N-O 3.18Å; T679-N746 VanDerWaalsContact O-CG 3.26Å; T679-N746 PolarHBondContact O-ND2 2.87Å | ||
| 680 | E | 28.5 | Very low | 28.1 | Very low | 78 Ų | 78 | 115.2 Ų | 115.2 | 36% | 0.364 | 65% | 0.653 | S | S | . | * | trans | 69.2 | 132.2 | 141.4 | -56.8 | -34.8 | -75.3 | 0 | 0 | 121.3 | N744 K745 N746 | E680-N744 WeakPolarHBondContact OE2-CB 3.46Å; E680-K745 IonicContact OE1-NZ 2.7Å; E680-K745 PolarHBondContact OE1-NZ 2.86Å; E680-K745 IonicContact OE2-NZ 2.72Å; E680-K745 PolarHBondContact OE2-NZ 3.18Å; E680-N746 PolarHBondContact O-ND2 2.87Å; E680-N746 PolarHBondContact O-OD1 3.02Å | ||
| 681 | I | 26.6 | Very low | 28.1 | Very low | 117 Ų | 117 | 113.2 Ų | 113.2 | 60% | 0.6 | 65% | 0.646 | S | S | * | * | cis | -163.8 | 161.2 | -6.1 | -152.2 | 175.4 | 0 | 0 | 0 | 107.2 | ||||
| 682 | N | 26.1 | Very low | 28 | Very low | 114 Ų | 114 | 117.9 Ų | 117.9 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | cis | -157.3 | -168.2 | 14.1 | -147 | -13.9 | 0 | 0 | 0 | 107 | ||||
| 683 | H | 26.8 | Very low | 27.8 | Very low | 142 Ų | 142 | 121.9 Ų | 121.9 | 66% | 0.657 | 67% | 0.669 | S | S | * | * | cis | -164.2 | -178.6 | -2.1 | -161.9 | 46.3 | 0 | 0 | 0 | 111.1 | ||||
| 684 | N | 25.4 | Very low | 27.9 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 67% | 0.668 | 66% | 0.659 | S | S | * | * | trans | 67.7 | 95.3 | 155.9 | -104.2 | -26.8 | 0 | 0 | 0 | 121.2 | ||||
| 685 | K | 25.6 | Very low | 28.1 | Very low | 187 Ų | 187 | 118.4 Ų | 118.4 | 81% | 0.813 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 79 | 131.8 | 151.7 | -66.4 | -172.4 | 175.5 | -179 | 0 | 121.4 | ||
| 686 | S | 30.3 | Very low | 28.2 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 87% | 0.867 | 65% | 0.649 | S | S | * | * | trans | 54.9 | 106.2 | 163.9 | 50.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 687 | G | 27.5 | Very low | 28.3 | Very low | 74 Ų | 74 | 119.3 Ų | 119.3 | 76% | 0.763 | 65% | 0.646 | S | S | * | * | trans | -112.3 | 157.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 688 | N | 28.9 | Very low | 28.7 | Very low | 153 Ų | 153 | 118.5 Ų | 118.5 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | -167.7 | 101.7 | 157.8 | -111.9 | 17.1 | 0 | 0 | 0 | 105.7 | ||||
| 689 | N | 27.4 | Very low | 28.9 | Very low | 130 Ų | 130 | 116 Ų | 116 | 70% | 0.695 | 62% | 0.615 | S | S | * | * | trans | -169.3 | 83.3 | 173.4 | -106.2 | -21.5 | 0 | 0 | 0 | 111.5 | ||||
| 690 | L | 28.1 | Very low | 28.9 | Very low | 158 Ų | 158 | 117.2 Ų | 117.2 | 83% | 0.827 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -143.6 | 20.1 | 163.8 | -155.3 | 69.4 | 0 | 0 | 0 | 113 | ||
| 691 | E | 32.8 | Very low | 29 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 57% | 0.565 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -96.6 | -33.1 | 179.9 | -68.3 | 174.2 | 110.3 | 0 | 0 | 112.6 | Q693 T694 | E691-Q693 VanDerWaalsContact C-N 3.3Å; E691-Q693 PolarHBondContact O-N 2.83Å; E691-Q693 VanDerWaalsContact O-N 3.1Å; E691-T694 PolarHBondContact O-N 3.42Å; E691-T694 PolarHBondContact O-OG1 2.93Å |
| 692 | Q | 32.9 | Very low | 29.2 | Very low | 141 Ų | 141 | 119.6 Ų | 119.6 | 66% | 0.659 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -17.6 | -163.2 | -64.1 | -174.9 | -17.1 | 0 | 0 | 116 | ||
| 693 | Q | 27.4 | Very low | 29.4 | Very low | 171 Ų | 171 | 118.6 Ų | 118.6 | 80% | 0.799 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -25.5 | 179 | -81 | -174.6 | -21 | 0 | 0 | 114 | E691 | E691-Q693 VanDerWaalsContact C-N 3.3Å; E691-Q693 PolarHBondContact O-N 2.83Å; E691-Q693 VanDerWaalsContact O-N 3.1Å |
| 694 | T | 31.1 | Very low | 29.5 | Very low | 78 Ų | 78 | 119.9 Ų | 119.9 | 48% | 0.479 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -79.2 | -26 | -177.9 | 63.2 | 0 | 0 | 0 | 0 | 113.3 | E691 L696 L697 K698 | E691-T694 PolarHBondContact O-N 3.42Å; E691-T694 PolarHBondContact O-OG1 2.93Å; T694-L696 PolarHBondContact O-N 2.86Å; T694-L697 PolarHBondContact O-N 3.23Å; T694-K698 WeakPolarHBondContact O-CG 3.28Å; T694-K698 PolarHBondContact O-N 2.99Å; T694-K698 WeakPolarHBondContact OG1-CE 3.41Å; T694-K698 PolarHBondContact OG1-NZ 3.07Å |
| 695 | D | 31.8 | Very low | 29.5 | Very low | 67 Ų | 67 | 121.4 Ų | 121.4 | 36% | 0.358 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.3 | -28.8 | -174.4 | -70.6 | -25.9 | 0 | 0 | 0 | 113.8 | L697 K698 L699 | D695-L697 VanDerWaalsContact C-N 3.3Å; D695-L697 PolarHBondContact O-N 3.48Å; D695-K698 PolarHBondContact O-N 3Å; D695-K698 WeakPolarHBondContact OD1-CD 3.45Å; D695-K698 WeakPolarHBondContact OD1-CE 3.44Å; D695-K698 IonicContact OD1-NZ 2.89Å; D695-K698 PolarHBondContact OD1-NZ 2.89Å; D695-L699 VanDerWaalsContact O-CB 3.32Å; D695-L699 WeakPolarHBondContact O-CB 3.45Å; D695-L699 PolarHBondContact O-N 3.1Å |
| 696 | L | 28.3 | Very low | 29.6 | Very low | 104 Ų | 104 | 115 Ų | 115 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.7 | -33.2 | 175.4 | -73.1 | 169.7 | 0 | 0 | 0 | 112.6 | T694 | T694-L696 PolarHBondContact O-N 2.86Å |
| 697 | L | 29.7 | Very low | 29.3 | Very low | 129 Ų | 129 | 115.5 Ų | 115.5 | 68% | 0.675 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -75.4 | -39.3 | 173.4 | -98.6 | 154.7 | 0 | 0 | 0 | 111.9 | T694 D695 L699 N700 | T694-L697 PolarHBondContact O-N 3.23Å; D695-L697 VanDerWaalsContact C-N 3.3Å; D695-L697 PolarHBondContact O-N 3.48Å; L697-L699 VanDerWaalsContact C-N 3.35Å; L697-L699 PolarHBondContact O-N 3.2Å; L697-N700 PolarHBondContact O-N 2.91Å |
| 698 | K | 31.5 | Very low | 29.1 | Very low | 104 Ų | 104 | 117.8 Ų | 117.8 | 45% | 0.452 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.7 | -44.9 | 172.5 | -63.2 | 171.8 | -153.3 | 158.1 | 0 | 110.9 | T694 D695 N700 N701 Y702 | T694-K698 WeakPolarHBondContact O-CG 3.28Å; T694-K698 PolarHBondContact O-N 2.99Å; T694-K698 WeakPolarHBondContact OG1-CE 3.41Å; T694-K698 PolarHBondContact OG1-NZ 3.07Å; D695-K698 PolarHBondContact O-N 3Å; D695-K698 WeakPolarHBondContact OD1-CD 3.45Å; D695-K698 WeakPolarHBondContact OD1-CE 3.44Å; D695-K698 IonicContact OD1-NZ 2.89Å; D695-K698 PolarHBondContact OD1-NZ 2.89Å; K698-N700 VanDerWaalsContact C-N 3.31Å; K698-N700 PolarHBondContact O-N 2.79Å; K698-N701 PolarHBondContact O-N 3.35Å; K698-Y702 WeakPolarHBondContact O-CB 3.48Å; K698-Y702 PolarHBondContact O-N 2.74Å |
| 699 | L | 30.3 | Very low | 28.9 | Very low | 37 Ų | 37 | 118.4 Ų | 118.4 | 19% | 0.194 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -59.8 | -37.8 | -176.8 | -172.7 | 64.2 | 0 | 0 | 0 | 112.9 | D695 L697 Y702 L703 R795 | D695-L699 VanDerWaalsContact O-CB 3.32Å; D695-L699 WeakPolarHBondContact O-CB 3.45Å; D695-L699 PolarHBondContact O-N 3.1Å; L697-L699 VanDerWaalsContact C-N 3.35Å; L697-L699 PolarHBondContact O-N 3.2Å; L699-Y702 PolarHBondContact O-N 2.76Å; L699-L703 PolarHBondContact O-N 3.08Å; L699-R795 HydrophobicContact CD1-CG 4.06Å |
| 700 | N | 29.2 | Very low | 28.7 | Very low | 107 Ų | 107 | 120.1 Ų | 120.1 | 57% | 0.572 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.5 | -42.2 | 179.7 | -159.6 | -2.3 | 0 | 0 | 0 | 111.9 | L697 K698 L703 | L697-N700 PolarHBondContact O-N 2.91Å; K698-N700 VanDerWaalsContact C-N 3.31Å; K698-N700 PolarHBondContact O-N 2.79Å; N700-L703 PolarHBondContact O-N 3.25Å |
| 701 | N | 30.5 | Very low | 28.6 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 56% | 0.561 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.2 | -37.7 | 173.7 | -75 | -24.7 | 0 | 0 | 0 | 112.2 | K698 L703 K704 | K698-N701 PolarHBondContact O-N 3.35Å; N701-L703 PolarHBondContact O-N 2.93Å; N701-K704 PolarHBondContact O-N 2.63Å |
| 702 | Y | 31.2 | Very low | 28.1 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 55% | 0.553 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.5 | -15 | 177.6 | -104.1 | -76.5 | 0 | 0 | 0 | 114.9 | K698 L699 R795 | K698-Y702 WeakPolarHBondContact O-CB 3.48Å; K698-Y702 PolarHBondContact O-N 2.74Å; L699-Y702 PolarHBondContact O-N 2.76Å; Y702-R795 VanDerWaalsContact C-NH2 3.26Å; Y702-R795 PolarHBondContact O-NH1 3.22Å; Y702-R795 PolarHBondContact O-NH2 2.92Å |
| 703 | L | 30.9 | Very low | 27.7 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 48% | 0.482 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -84 | -36 | 174.9 | -77.9 | 164.1 | 0 | 0 | 0 | 112.5 | L699 N700 N701 L705 S706 | L699-L703 PolarHBondContact O-N 3.08Å; N700-L703 PolarHBondContact O-N 3.25Å; N701-L703 PolarHBondContact O-N 2.93Å; L703-L705 VanDerWaalsContact C-N 3.33Å; L703-L705 PolarHBondContact O-N 3.35Å; L703-S706 PolarHBondContact O-OG 3.26Å |
| 704 | K | 27.9 | Very low | 27.5 | Very low | 170 Ų | 170 | 119.3 Ų | 119.3 | 74% | 0.739 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.5 | -34.7 | 178.5 | -78.3 | -174.3 | 172.6 | -179.2 | 0 | 113.4 | N701 S706 | N701-K704 PolarHBondContact O-N 2.63Å; K704-S706 PolarHBondContact O-N 3.08Å |
| 705 | L | 27 | Very low | 27.2 | Very low | 157 Ų | 157 | 121.8 Ų | 121.8 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 30.3 | -177 | -67.3 | 166.9 | 0 | 0 | 0 | 114.3 | L703 | L703-L705 VanDerWaalsContact C-N 3.33Å; L703-L705 PolarHBondContact O-N 3.35Å |
| 706 | S | 26.9 | Very low | 26.7 | Very low | 52 Ų | 52 | 125 Ų | 125 | 36% | 0.364 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -136.3 | 13 | -178.1 | 69.3 | 0 | 0 | 0 | 0 | 115 | K649 L703 K704 | K649-S706 PolarHBondContact NZ-O 2.95Å; L703-S706 PolarHBondContact O-OG 3.26Å; K704-S706 PolarHBondContact O-N 3.08Å |
| 707 | I | 24.9 | Very low | 26.4 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -140.6 | 68.2 | 179.7 | -47.4 | 178.1 | 0 | 0 | 0 | 109.5 | ||
| 708 | C | 23.6 | Very low | 26 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | trans | 178.1 | 109.9 | 158 | -94.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 709 | D | 23.7 | Very low | 25.6 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | trans | 178 | 77.9 | 161 | -94.8 | -25 | 0 | 0 | 0 | 107.4 | ||||
| 710 | N | 23.1 | Very low | 25.3 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | trans | -166.9 | 56.2 | 176.2 | -126.6 | 15 | 0 | 0 | 0 | 112.8 | ||||
| 711 | V | 26.1 | Very low | 24.9 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -144 | 144.9 | 161.6 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 712 | D | 22.7 | Very low | 24.5 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -75 | 168.3 | -164.9 | -63.1 | -85.2 | 0 | 0 | 0 | 118 | S714 | D712-S714 PolarHBondContact O-N 3.1Š| ||
| 713 | N | 23.8 | Very low | 24.2 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | trans | -66.7 | 120 | 171.8 | -75.3 | -71.1 | 0 | 0 | 0 | 112.8 | ||||
| 714 | S | 24.1 | Very low | 23.8 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -151.8 | 120 | 148.8 | 64 | 0 | 0 | 0 | 0 | 114.6 | D712 | D712-S714 PolarHBondContact O-N 3.1Š| ||
| 715 | V | 24.3 | Very low | 23.6 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | trans | 46.1 | 104.4 | 144.9 | -170 | 0 | 0 | 0 | 0 | 120 | ||||
| 716 | N | 21.2 | Very low | 23.6 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | 36.9 | 126.8 | 136.4 | -60.4 | -17.3 | 0 | 0 | 0 | 122.3 | ||||
| 717 | N | 21.6 | Very low | 23.5 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | 70.4 | 142.3 | 142.6 | -62.9 | -14.7 | 0 | 0 | 0 | 119.2 | ||||
| 718 | S | 22.3 | Very low | 23.5 | Very low | 93 Ų | 93 | 134 Ų | 134 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | cis | -170.3 | 143.9 | -12.5 | 47.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 719 | S | 22.1 | Very low | 23.5 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | trans | 53.6 | 122.9 | 146.1 | 63.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 720 | I | 24.5 | Very low | 23.8 | Very low | 168 Ų | 168 | 133 Ų | 133 | 86% | 0.862 | 76% | 0.756 | S | S | * | * | trans | -166.4 | 116.4 | 140.4 | -94.6 | 146.8 | 0 | 0 | 0 | 104 | ||||
| 721 | V | 20.9 | Very low | 24.1 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | cis | 85.3 | 136.5 | 27 | -169.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 722 | S | 22.4 | Very low | 24.4 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | 72.1 | 154.8 | 177.6 | -69.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 723 | S | 23.8 | Very low | 24.3 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | cis | -173.2 | 178.1 | -21.8 | 64.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 724 | N | 22.9 | Very low | 24.3 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 68% | 0.684 | 72% | 0.716 | S | S | * | * | cis | -161 | 174.8 | 3.2 | -151.9 | -5.4 | 0 | 0 | 0 | 111 | ||||
| 725 | N | 24.3 | Very low | 24.5 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 68% | 0.684 | 71% | 0.713 | S | S | * | * | trans | 70.8 | 145.7 | 160.7 | -54.6 | -31.2 | 0 | 0 | 0 | 117.2 | ||||
| 726 | T | 27.2 | Very low | 24.4 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | cis | -147.1 | 172 | 10.7 | -20.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 727 | K | 23.1 | Very low | 24.8 | Very low | 160 Ų | 160 | 131 Ų | 131 | 70% | 0.696 | 71% | 0.708 | S | S | * | * | trans | -37.3 | 160.5 | 159.8 | -71.6 | 161.4 | 153.6 | -86.3 | 0 | 114.4 | ||||
| 728 | E | 25.4 | Very low | 25.1 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 63% | 0.631 | 70% | 0.698 | S | S | * | * | cis | -162.3 | 172.8 | 3.6 | -126 | 150.9 | -163.6 | 0 | 0 | 110.1 | ||||
| 729 | N | 24.3 | Very low | 25.2 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | trans | 62.3 | 151.4 | 158.9 | -65.9 | 5.2 | 0 | 0 | 0 | 120.8 | R731 | N729-R731 VanDerWaalsContact C-N 3.31Å; N729-R731 PolarHBondContact O-N 3.25Å | ||
| 730 | D | 29 | Very low | 25.4 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | trans | 33.2 | 51.9 | 130.5 | -46.2 | -22.1 | 0 | 0 | 0 | 117.8 | ||||
| 731 | R | 30.3 | Very low | 25.5 | Very low | 191 Ų | 191 | 131.7 Ų | 131.7 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | trans | -135.5 | 97.4 | 142 | -62 | -159.6 | 127.9 | 146.5 | -0.8 | 106.8 | N729 D733 | N729-R731 VanDerWaalsContact C-N 3.31Å; N729-R731 PolarHBondContact O-N 3.25Å; R731-D733 VanDerWaalsContact CA-N 3.34Å; R731-D733 HydrophobicContact CB-CB 3.64Å; R731-D733 HydrophobicContact CG-CB 3.66Å; R731-D733 IonicContact CZ-OD2 2.76Å; R731-D733 IonicContact NE-OD2 3.46Å; R731-D733 PolarHBondContact NE-OD2 3.42Å; R731-D733 IonicContact NH2-OD2 3.87Å; R731-D733 PolarHBondContact NH2-OD2 3.05Å | ||
| 732 | E | 31.6 | Very low | 25.8 | Very low | 195 Ų | 195 | 130.2 Ų | 130.2 | 91% | 0.911 | 70% | 0.7 | S | S | * | * | cis | 18.3 | 57.4 | 25.9 | -158.3 | 175.2 | -92.5 | 0 | 0 | 114.5 | ||||
| 733 | D | 21.9 | Very low | 26.1 | Very low | 78 Ų | 78 | 131.4 Ų | 131.4 | 42% | 0.417 | 70% | 0.697 | S | S | . | * | trans | -157.2 | 144.2 | 167.3 | -136.5 | -11.1 | 0 | 0 | 0 | 108.6 | R731 | R731-D733 VanDerWaalsContact CA-N 3.34Å; R731-D733 HydrophobicContact CB-CB 3.64Å; R731-D733 HydrophobicContact CG-CB 3.66Å; R731-D733 IonicContact CZ-OD2 2.76Å; R731-D733 IonicContact NE-OD2 3.46Å; R731-D733 PolarHBondContact NE-OD2 3.42Å; R731-D733 IonicContact NH2-OD2 3.87Å; R731-D733 PolarHBondContact NH2-OD2 3.05Å | ||
| 734 | I | 22.6 | Very low | 26.2 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 59% | 0.59 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 57.1 | 95.2 | 152.2 | -62.3 | 151.5 | 0 | 0 | 0 | 115 | ||
| 735 | I | 28 | Very low | 26.5 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 70% | 0.697 | 66% | 0.663 | S | S | * | * | cis | -154.6 | 129 | -2.8 | -125.1 | 137.3 | 0 | 0 | 0 | 104.3 | ||||
| 736 | V | 22.5 | Very low | 26.5 | Very low | 104 Ų | 104 | 126 Ų | 126 | 63% | 0.63 | 66% | 0.656 | S | S | * | * | cis | 53.7 | 64.9 | 40.1 | -166.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 737 | D | 29.6 | Very low | 26.5 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 78% | 0.775 | 66% | 0.658 | S | S | * | * | trans | 171.9 | 155.2 | 135 | -86.6 | -18.7 | 0 | 0 | 0 | 110.2 | ||||
| 738 | A | 28.7 | Very low | 26.6 | Very low | 73 Ų | 73 | 127.5 Ų | 127.5 | 60% | 0.603 | 66% | 0.661 | S | S | * | * | cis | -167.7 | 163.4 | -21.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 739 | K | 25.1 | Very low | 26.8 | Very low | 177 Ų | 177 | 123.9 Ų | 123.9 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | 53.2 | 124 | 54.2 | -124.4 | -168 | 177.9 | -175.8 | 0 | 111.5 | |||||
| 740 | L | 25.9 | Very low | 26.9 | Very low | 128 Ų | 128 | 123 Ų | 123 | 67% | 0.67 | 65% | 0.653 | S | S | * | * | trans | 69 | 126 | 159.6 | -50.1 | 174.2 | 0 | 0 | 0 | 113.8 | ||||
| 741 | D | 25.5 | Very low | 26.8 | Very low | 143 Ų | 143 | 121.2 Ų | 121.2 | 77% | 0.765 | 65% | 0.647 | S | S | * | * | 67.6 | 148.5 | 63.8 | -60.2 | -52.6 | 0 | 0 | 0 | 113.1 | |||||
| 742 | A | 28.2 | Very low | 26.5 | Very low | 86 Ų | 86 | 118.1 Ų | 118.1 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | trans | 72.7 | 93.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 743 | D | 28 | Very low | 26.3 | Very low | 138 Ų | 138 | 113.2 Ų | 113.2 | 74% | 0.738 | 63% | 0.632 | S | S | * | * | 90.3 | 107.4 | 112.6 | -73.5 | 8.9 | 0 | 0 | 0 | 123 | |||||
| 744 | N | 26.6 | Very low | 26.5 | Very low | 63 Ų | 63 | 118.4 Ų | 118.4 | 34% | 0.337 | 65% | 0.651 | S | S | . | * | 106.1 | 76.8 | 114.9 | -67.8 | -25.5 | 0 | 0 | 0 | 122.7 | T679 E680 | T679-N744 PolarHBondContact N-O 3.34Å; E680-N744 WeakPolarHBondContact OE2-CB 3.46Å | |||
| 745 | K | 27.9 | Very low | 26.5 | Very low | 80 Ų | 80 | 116 Ų | 116 | 35% | 0.348 | 64% | 0.643 | S | S | . | * | 82.3 | 166.8 | 119.1 | -48.8 | -150.2 | -168.5 | 60.7 | 0 | 121.6 | T678 T679 E680 | T678-K745 CarbonylContact C-O 3.43Å; T678-K745 WeakPolarHBondContact CA-O 3.48Å; T678-K745 PolarHBondContact N-O 3.35Å; T679-K745 PolarHBondContact N-O 3.18Å; E680-K745 IonicContact OE1-NZ 2.7Å; E680-K745 PolarHBondContact OE1-NZ 2.86Å; E680-K745 IonicContact OE2-NZ 2.72Å; E680-K745 PolarHBondContact OE2-NZ 3.18Å | |||
| 746 | N | 25.1 | Very low | 26.4 | Very low | 103 Ų | 103 | 114.1 Ų | 114.1 | 55% | 0.551 | 64% | 0.642 | S | S | * | * | trans | 81.4 | 156.3 | 164.7 | -73.7 | 18.6 | 0 | 0 | 0 | 119.8 | T679 E680 | T679-N746 VanDerWaalsContact O-CG 3.26Å; T679-N746 PolarHBondContact O-ND2 2.87Å; E680-N746 PolarHBondContact O-ND2 2.87Å; E680-N746 PolarHBondContact O-OD1 3.02Å | ||
| 747 | E | 27.3 | Very low | 26.6 | Very low | 176 Ų | 176 | 114.4 Ų | 114.4 | 82% | 0.822 | 65% | 0.648 | S | S | * | * | trans | -106.9 | 167.7 | -154.3 | -60.3 | -174.6 | 100.7 | 0 | 0 | 115.1 | ||||
| 748 | L | 25.8 | Very low | 26.4 | Very low | 145 Ų | 145 | 112.1 Ų | 112.1 | 76% | 0.759 | 64% | 0.643 | S | S | * | * | trans | 77 | 89.1 | 147.2 | -106.6 | 70.4 | 0 | 0 | 0 | 120.8 | ||||
| 749 | A | 28.9 | Very low | 26.3 | Very low | 59 Ų | 59 | 115.9 Ų | 115.9 | 49% | 0.488 | 65% | 0.652 | S | S | . | * | 84.7 | 163.3 | 110 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 750 | T | 26.7 | Very low | 26.3 | Very low | 106 Ų | 106 | 112.1 Ų | 112.1 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | trans | 78.6 | 145.7 | 168.2 | 77 | 0 | 0 | 0 | 0 | 115.7 | T675 | T675-T750 WeakPolarHBondContact CG2-O 3.35Å; T675-T750 PolarHBondContact OG1-O 3.24Å | ||
| 751 | V | 26 | Very low | 26.1 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 63% | 0.63 | 66% | 0.659 | S | S | * | * | cis | -161.2 | 165.8 | -0.8 | 104.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 752 | D | 23.9 | Very low | 26 | Very low | 127 Ų | 127 | 116 Ų | 116 | 68% | 0.679 | 66% | 0.66 | S | S | * | * | trans | 36.8 | 133.2 | 159.9 | -65.6 | -16.8 | 0 | 0 | 0 | 126 | ||||
| 753 | S | 28.5 | Very low | 25.9 | Very low | 92 Ų | 92 | 120 Ų | 120 | 64% | 0.643 | 67% | 0.668 | S | S | * | * | 161.8 | 163.4 | 103.3 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | S667 | S667-S753 WeakPolarHBondContact CB-O 3.35Š| |||
| 754 | K | 25 | Very low | 25.8 | Very low | 187 Ų | 187 | 120.1 Ų | 120.1 | 81% | 0.813 | 67% | 0.668 | S | S | * | * | trans | -102.6 | 161.1 | -160.3 | -51.8 | 162 | -177.6 | 167.7 | 0 | 114.5 | ||||
| 755 | P | 23.9 | Very low | 26 | Very low | 65 Ų | 65 | 122.8 Ų | 122.8 | 42% | 0.422 | 69% | 0.689 | S | S | . | * | trans | -99.7 | 163.7 | 145.5 | -0.7 | 22.3 | 0 | 0 | 0 | 111.9 | V663 | V663-P755 HydrophobicContact CG1-CB 4.08Å; V663-P755 HydrophobicContact CG1-CG 3.87Å | ||
| 756 | S | 25.3 | Very low | 26.1 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | trans | -140.3 | 139 | -179.6 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 757 | S | 26 | Very low | 26.3 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | trans | 54.6 | 142.5 | 133.3 | 64.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 758 | S | 26.5 | Very low | 26.5 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | cis | 179.3 | -176.8 | -7.7 | 48.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 759 | I | 25.5 | Very low | 27 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | trans | 86.1 | 133.7 | 158.4 | -63 | 160.9 | 0 | 0 | 0 | 116.7 | ||||
| 760 | S | 24.8 | Very low | 27.6 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | cis | -174.4 | 153.5 | -24.1 | -93.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 761 | L | 22.3 | Very low | 28.6 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 91% | 0.906 | 72% | 0.72 | S | S | * | * | -173.8 | 172.8 | 115.5 | -98.7 | 167.5 | 0 | 0 | 0 | 111.8 | |||||
| 762 | K | 23.6 | Very low | 30.2 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 78% | 0.778 | 71% | 0.708 | S | S | * | * | trans | -97.3 | 149.8 | -162.6 | -49.3 | 175.4 | -179.8 | -177.9 | 0 | 114.3 | ||||
| 763 | I | 26 | Very low | 32.1 | Very low | 171 Ų | 171 | 129 Ų | 129 | 88% | 0.877 | 69% | 0.687 | S | S | * | * | trans | -139.5 | 153.2 | 135.5 | -60.6 | -172.6 | 0 | 0 | 0 | 107.2 | ||||
| 764 | D | 26 | Very low | 34 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 75% | 0.749 | 69% | 0.69 | S | S | * | * | trans | -83.7 | 173.1 | -177.5 | -90.3 | -58.6 | 0 | 0 | 0 | 113.8 | ||||
| 765 | P | 31.3 | Very low | 36.1 | Very low | 119 Ų | 119 | 125 Ų | 125 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | trans | -105.6 | 100.2 | -138.5 | 38.1 | -36.6 | 0 | 0 | 0 | 117.6 | ||||
| 766 | E | 29.6 | Very low | 38.2 | Very low | 182 Ų | 182 | 122 Ų | 122 | 85% | 0.85 | 64% | 0.641 | S | S | * | * | trans | -135.2 | 76.8 | 158.2 | -74 | -156 | 148.9 | 0 | 0 | 112.9 | ||||
| 767 | Q | 29.6 | Very low | 40.7 | Very low | 168 Ų | 168 | 120.2 Ų | 120.2 | 79% | 0.785 | 62% | 0.624 | S | S | * | * | trans | -173.6 | 147.1 | 158.9 | -113.7 | 156.4 | 86 | 0 | 0 | 115.1 | ||||
| 768 | H | 31.4 | Very low | 43.2 | Very low | 148 Ų | 148 | 121.8 Ų | 121.8 | 69% | 0.685 | 62% | 0.617 | S | S | * | * | 149.8 | 108.3 | 121 | -78.4 | -55.2 | 0 | 0 | 0 | 112.5 | K770 | H768-K770 PolarHBondContact O-N 3.12Å; H768-K770 VanDerWaalsContact O-N 3.13Å | |||
| 769 | Q | 36.2 | Very low | 45.6 | Very low | 188 Ų | 188 | 117.7 Ų | 117.7 | 88% | 0.879 | 59% | 0.588 | S | S | * | * | trans | -67 | 108.2 | 163.2 | -71 | -176.9 | -4.4 | 0 | 0 | 109.6 | L771 | Q769-L771 PolarHBondContact O-N 2.69Š| ||
| 770 | K | 42.3 | Very low | 48 | Very low | 183 Ų | 183 | 110.7 Ų | 110.7 | 80% | 0.796 | 55% | 0.551 | S | S | * | * | trans | -63.9 | 125.4 | 170 | -78.6 | -176.3 | 175 | 177 | 0 | 109.7 | H768 T772 | H768-K770 PolarHBondContact O-N 3.12Å; H768-K770 VanDerWaalsContact O-N 3.13Å; K770-T772 WeakPolarHBondContact O-CG2 3.49Å; K770-T772 PolarHBondContact O-N 2.9Å; K770-T772 VanDerWaalsContact O-N 3.08Å | ||
| 771 | L | 47.8 | Very low | 50.5 | Low | 53 Ų | 53 | 113.5 Ų | 113.5 | 28% | 0.277 | 55% | 0.551 | S | S | . | * | trans | -61.3 | 112 | 173.5 | -178.5 | 68 | 0 | 0 | 0 | 110 | K651 A655 Q769 D775 L776 | K651-L771 HydrophobicContact CB-CD1 3.78Å; K651-L771 HydrophobicContact CB-CD2 4.12Å; K651-L771 HydrophobicContact CD-CD1 3.59Å; K651-L771 HydrophobicContact CG-CD1 3.86Å; K651-L771 WeakPolarHBondContact O-CD2 3.49Å; A655-L771 HydrophobicContact CB-CD2 3.87Å; Q769-L771 PolarHBondContact O-N 2.69Å; L771-D775 HydrophobicContact CD1-CB 3.58Å; L771-L776 HydrophobicContact CD1-CG 4.29Å; L771-L776 HydrophobicContact CD2-CD1 3.93Å; L771-L776 HydrophobicContact CD2-CD2 4.06Å; L771-L776 HydrophobicContact CD2-CG 3.98Å; L771-L776 HydrophobicContact CG-CD1 4.3Å; L771-L776 HydrophobicContact CG-CG 4.14Å | ||
| 772 | T | 59.4 | Low | 53.1 | Low | 63 Ų | 63 | 108.7 Ų | 108.7 | 39% | 0.387 | 53% | 0.526 | S | S | . | . | trans | -87.1 | 159.5 | -178.1 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | K770 F774 D775 L776 | K770-T772 WeakPolarHBondContact O-CG2 3.49Å; K770-T772 PolarHBondContact O-N 2.9Å; K770-T772 VanDerWaalsContact O-N 3.08Å; T772-F774 PolarHBondContact O-N 2.69Å; T772-F774 WeakPolarHBondContact OG1-CB 3.29Å; T772-F774 PolarHBondContact OG1-N 2.75Å; T772-D775 WeakPolarHBondContact CB-OD2 3.33Å; T772-D775 PolarHBondContact N-OD2 2.62Å; T772-D775 WeakPolarHBondContact O-CB 3.44Å; T772-D775 PolarHBondContact O-N 3.14Å; T772-D775 VanDerWaalsContact O-N 3.15Å; T772-D775 PolarHBondContact OG1-N 2.99Å; T772-D775 PolarHBondContact OG1-OD2 3.38Å; T772-L776 PolarHBondContact O-N 3.44Å | ||
| 773 | L | 63.4 | Low | 55.4 | Low | 46 Ų | 46 | 100.2 Ų | 100.2 | 24% | 0.241 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -58.5 | -27.2 | 167.1 | -167.1 | 78.1 | 0 | 0 | 0 | 111.3 | N777 I803 | L773-N777 WeakPolarHBondContact O-CB 3.39Å; L773-N777 PolarHBondContact O-N 2.89Å; L773-N777 PolarHBondContact O-ND2 3.49Å; L773-I803 HydrophobicContact CD1-CB 3.95Å; L773-I803 HydrophobicContact CD1-CG2 3.72Å |
| 774 | F | 68.8 | Low | 57.6 | Low | 157 Ų | 157 | 98.6 Ų | 98.6 | 69% | 0.689 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.2 | -40.7 | 175.6 | 177.4 | -94.9 | 0 | 0 | 0 | 112.1 | T772 L776 N777 K778 | T772-F774 PolarHBondContact O-N 2.69Å; T772-F774 WeakPolarHBondContact OG1-CB 3.29Å; T772-F774 PolarHBondContact OG1-N 2.75Å; F774-L776 PolarHBondContact O-N 2.93Å; F774-N777 PolarHBondContact O-N 3.24Å; F774-K778 WeakPolarHBondContact O-CB 3.45Å; F774-K778 PolarHBondContact O-N 3.37Å |
| 775 | D | 67.7 | Low | 59.8 | Low | 37 Ų | 37 | 96.2 Ų | 96.2 | 20% | 0.198 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 172.7 | -76.1 | -86.3 | 0 | 0 | 0 | 112.3 | K651 L771 T772 K778 L779 | K651-D775 IonicContact NZ-OD1 3.23Å; K651-D775 PolarHBondContact NZ-OD1 2.9Å; L771-D775 HydrophobicContact CD1-CB 3.58Å; T772-D775 WeakPolarHBondContact CB-OD2 3.33Å; T772-D775 PolarHBondContact N-OD2 2.62Å; T772-D775 WeakPolarHBondContact O-CB 3.44Å; T772-D775 PolarHBondContact O-N 3.14Å; T772-D775 VanDerWaalsContact O-N 3.15Å; T772-D775 PolarHBondContact OG1-N 2.99Å; T772-D775 PolarHBondContact OG1-OD2 3.38Å; D775-K778 WeakPolarHBondContact O-CB 3.21Å; D775-K778 PolarHBondContact O-N 2.97Å; D775-L779 PolarHBondContact O-N 2.91Å |
| 776 | L | 69.4 | Low | 61.6 | Low | 3 Ų | 3 | 95.4 Ų | 95.4 | 2% | 0.016 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.1 | -38.3 | -180 | -71.1 | 168.9 | 0 | 0 | 0 | 111.3 | L771 T772 F774 K778 L779 L780 L796 V800 I803 | L771-L776 HydrophobicContact CD1-CG 4.29Å; L771-L776 HydrophobicContact CD2-CD1 3.93Å; L771-L776 HydrophobicContact CD2-CD2 4.06Å; L771-L776 HydrophobicContact CD2-CG 3.98Å; L771-L776 HydrophobicContact CG-CD1 4.3Å; L771-L776 HydrophobicContact CG-CG 4.14Å; T772-L776 PolarHBondContact O-N 3.44Å; F774-L776 PolarHBondContact O-N 2.93Å; L776-K778 VanDerWaalsContact C-N 3.31Å; L776-K778 PolarHBondContact O-N 2.82Å; L776-L779 PolarHBondContact O-N 2.64Å; L776-L780 VanDerWaalsContact O-CB 3.26Å; L776-L780 WeakPolarHBondContact O-CB 3.45Å; L776-L780 PolarHBondContact O-N 2.67Å; L776-L796 HydrophobicContact CD2-CD1 3.88Å; L776-V800 HydrophobicContact CB-CG2 3.61Å; L776-I803 HydrophobicContact CD1-CD1 3.64Å |
| 777 | N | 76 | Confident | 63.3 | Low | 58 Ų | 58 | 92.6 Ų | 92.6 | 31% | 0.31 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.1 | -33.3 | 170.2 | -89.2 | -82 | 0 | 0 | 0 | 113 | L773 F774 L780 K781 V800 | L773-N777 WeakPolarHBondContact O-CB 3.39Å; L773-N777 PolarHBondContact O-N 2.89Å; L773-N777 PolarHBondContact O-ND2 3.49Å; F774-N777 PolarHBondContact O-N 3.24Å; N777-L780 PolarHBondContact O-N 3.13Å; N777-K781 WeakPolarHBondContact O-CB 3.49Å; N777-K781 WeakPolarHBondContact O-CG 3.3Å; N777-K781 PolarHBondContact O-N 3.03Å; N777-V800 WeakPolarHBondContact ND2-CG1 3.5Å |
| 778 | K | 78.8 | Confident | 65.2 | Low | 143 Ų | 143 | 85.5 Ų | 85.5 | 62% | 0.622 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.5 | -45.6 | 175.8 | -171.9 | 177.4 | 179.4 | -178.3 | 0 | 110.8 | F774 D775 L776 L780 K781 L782 | F774-K778 WeakPolarHBondContact O-CB 3.45Å; F774-K778 PolarHBondContact O-N 3.37Å; D775-K778 WeakPolarHBondContact O-CB 3.21Å; D775-K778 PolarHBondContact O-N 2.97Å; L776-K778 VanDerWaalsContact C-N 3.31Å; L776-K778 PolarHBondContact O-N 2.82Å; K778-L780 VanDerWaalsContact C-N 3.33Å; K778-L780 PolarHBondContact O-N 3.25Å; K778-K781 PolarHBondContact O-N 2.92Å; K778-L782 WeakPolarHBondContact O-CB 3.3Å; K778-L782 PolarHBondContact O-N 3.13Å |
| 779 | L | 77.1 | Confident | 66.8 | Low | 11 Ų | 11 | 79.7 Ų | 79.7 | 6% | 0.058 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 172.8 | -73.9 | 173.1 | 0 | 0 | 0 | 112.5 | W644 Q647 I648 K651 D775 L776 L782 G783 L796 | W644-L779 PolarHBondContact NE1-O 2.81Å; Q647-L779 HydrophobicContact CB-CD2 4.34Å; I648-L779 HydrophobicContact CG1-CD1 4.11Å; K651-L779 HydrophobicContact CD-CD1 4Å; D775-L779 PolarHBondContact O-N 2.91Å; L776-L779 PolarHBondContact O-N 2.64Å; L779-L782 PolarHBondContact O-N 2.82Å; L779-G783 PolarHBondContact O-N 3.27Å; L779-L796 HydrophobicContact CB-CD2 3.91Å |
| 780 | L | 77.1 | Confident | 68 | Low | 4 Ų | 4 | 76.2 Ų | 76.2 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 176.3 | 176.4 | 64.5 | 0 | 0 | 0 | 112.1 | L776 N777 K778 L782 G783 R784 V793 L796 N797 V800 | L776-L780 VanDerWaalsContact O-CB 3.26Å; L776-L780 WeakPolarHBondContact O-CB 3.45Å; L776-L780 PolarHBondContact O-N 2.67Å; N777-L780 PolarHBondContact O-N 3.13Å; K778-L780 VanDerWaalsContact C-N 3.33Å; K778-L780 PolarHBondContact O-N 3.25Å; L780-L782 VanDerWaalsContact C-N 3.3Å; L780-L782 PolarHBondContact O-N 2.83Å; L780-G783 PolarHBondContact O-N 3.33Å; L780-R784 WeakPolarHBondContact O-CG 3.45Å; L780-R784 PolarHBondContact O-N 2.96Å; L780-V793 HydrophobicContact CD1-CG1 3.93Å; L780-V793 VanDerWaalsContact CD1-O 3.29Å; L780-V793 WeakPolarHBondContact CD1-O 3.4Å; L780-L796 HydrophobicContact CB-CD2 4.03Å; L780-L796 HydrophobicContact CB-CG 4.28Å; L780-L796 HydrophobicContact CD1-CB 4.49Å; L780-L796 HydrophobicContact CD1-CG 4.44Å; L780-N797 HydrophobicContact CD1-CB 3.79Å; L780-N797 HydrophobicContact CD2-CB 4.25Å; L780-V800 HydrophobicContact CB-CG2 4.42Å; L780-V800 HydrophobicContact CD2-CB 4.19Å; L780-V800 HydrophobicContact CD2-CG1 4.12Å; L780-V800 HydrophobicContact CD2-CG2 4.14Å |
| 781 | K | 76.9 | Confident | 68.9 | Low | 157 Ų | 157 | 71.9 Ų | 71.9 | 68% | 0.683 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.4 | -41.2 | 173.1 | -82.3 | -171.6 | 173.3 | -173.3 | 0 | 111.4 | N777 K778 R784 S785 | N777-K781 WeakPolarHBondContact O-CB 3.49Å; N777-K781 WeakPolarHBondContact O-CG 3.3Å; N777-K781 PolarHBondContact O-N 3.03Å; K778-K781 PolarHBondContact O-N 2.92Å; K781-R784 PolarHBondContact O-N 2.94Å; K781-S785 WeakPolarHBondContact O-CB 3.07Å; K781-S785 PolarHBondContact O-N 3.38Å; K781-S785 PolarHBondContact O-OG 2.57Å |
| 782 | L | 77 | Confident | 69.7 | Low | 73 Ų | 73 | 71.5 Ų | 71.5 | 38% | 0.382 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 176.7 | -157.1 | 83.3 | 0 | 0 | 0 | 111.6 | K778 L779 L780 R784 S785 R786 | K778-L782 WeakPolarHBondContact O-CB 3.3Å; K778-L782 PolarHBondContact O-N 3.13Å; L779-L782 PolarHBondContact O-N 2.82Å; L780-L782 VanDerWaalsContact C-N 3.3Å; L780-L782 PolarHBondContact O-N 2.83Å; L782-R784 PolarHBondContact O-N 3.01Å; L782-S785 PolarHBondContact O-N 3.16Å; L782-S785 PolarHBondContact O-OG 3.36Å; L782-S785 VanDerWaalsContact O-OG 3.09Å; L782-R786 HydrophobicContact CG-CG 4.43Å; L782-R786 WeakPolarHBondContact O-CB 3.15Å; L782-R786 VanDerWaalsContact O-CG 3.26Å; L782-R786 WeakPolarHBondContact O-CG 3.2Å; L782-R786 PolarHBondContact O-N 3.26Å |
| 783 | G | 71.3 | Confident | 70.2 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | W644 L779 L780 Q787 Y788 | W644-G783 VanDerWaalsContact CZ2-CA 3.46Å; L779-G783 PolarHBondContact O-N 3.27Å; L780-G783 PolarHBondContact O-N 3.33Å; G783-Q787 PolarHBondContact O-N 3.13Å; G783-Q787 VanDerWaalsContact O-N 3.14Å; G783-Y788 PolarHBondContact O-N 3.36Å |
| 784 | R | 72.8 | Confident | 70.4 | Confident | 137 Ų | 137 | 71.9 Ų | 71.9 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 173.7 | -75.6 | -176.5 | 170.8 | 152.1 | 4 | 112.5 | L780 K781 L782 R786 Q787 V793 N797 | L780-R784 WeakPolarHBondContact O-CG 3.45Å; L780-R784 PolarHBondContact O-N 2.96Å; K781-R784 PolarHBondContact O-N 2.94Å; L782-R784 PolarHBondContact O-N 3.01Å; R784-R786 VanDerWaalsContact C-N 3.33Å; R784-R786 PolarHBondContact O-N 2.96Å; R784-Q787 PolarHBondContact O-N 2.95Å; R784-V793 HydrophobicContact CG-CG1 3.51Å; R784-N797 PolarHBondContact NH2-OD1 2.91Å |
| 785 | S | 71.4 | Confident | 70.2 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 63% | 0.629 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -71.7 | -27.7 | -178.6 | 67.6 | 0 | 0 | 0 | 0 | 113.4 | K781 L782 | K781-S785 WeakPolarHBondContact O-CB 3.07Å; K781-S785 PolarHBondContact O-N 3.38Å; K781-S785 PolarHBondContact O-OG 2.57Å; L782-S785 PolarHBondContact O-N 3.16Å; L782-S785 PolarHBondContact O-OG 3.36Å; L782-S785 VanDerWaalsContact O-OG 3.09Å |
| 786 | R | 69.5 | Low | 70.4 | Confident | 102 Ų | 102 | 66.1 Ų | 66.1 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -3.1 | 173.9 | -65.3 | -64.1 | -164.9 | 116.1 | -1.6 | 114.1 | E640 L782 R784 Y788 | E640-R786 IonicContact OE1-CZ 2.72Å; E640-R786 VanDerWaalsContact OE1-CZ 3.26Å; E640-R786 IonicContact OE1-NH1 2.73Å; E640-R786 PolarHBondContact OE1-NH1 3.35Å; E640-R786 IonicContact OE1-NH2 2.74Å; E640-R786 PolarHBondContact OE1-NH2 2.76Å; E640-R786 IonicContact OE2-CZ 2.76Å; E640-R786 IonicContact OE2-NH1 3.25Å; E640-R786 PolarHBondContact OE2-NH1 3.36Å; E640-R786 IonicContact OE2-NH2 3.45Å; L782-R786 HydrophobicContact CG-CG 4.43Å; L782-R786 WeakPolarHBondContact O-CB 3.15Å; L782-R786 VanDerWaalsContact O-CG 3.26Å; L782-R786 WeakPolarHBondContact O-CG 3.2Å; L782-R786 PolarHBondContact O-N 3.26Å; R784-R786 VanDerWaalsContact C-N 3.33Å; R784-R786 PolarHBondContact O-N 2.96Å; R786-Y788 HydrophobicContact CB-CD1 3.79Å; R786-Y788 HydrophobicContact CB-CD2 3.94Å; R786-Y788 HydrophobicContact CB-CE1 3.58Å; R786-Y788 HydrophobicContact CB-CE2 3.76Å; R786-Y788 HydrophobicContact CB-CG 3.97Å; R786-Y788 HydrophobicContact CG-CE1 4.33Å; R786-Y788 HydrophobicContact CG-CE2 4.04Å; R786-Y788 PolarHBondContact O-N 3.5Å |
| 787 | Q | 64.5 | Low | 70.7 | Confident | 123 Ų | 123 | 68.5 Ų | 68.5 | 58% | 0.575 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 41.8 | -173.2 | -58.9 | -167.5 | 10.8 | 0 | 0 | 113.7 | P529 G783 R784 | P529-Q787 HydrophobicContact CB-CB 4.29Å; P529-Q787 HydrophobicContact CG-CB 4.32Å; P529-Q787 VanDerWaalsContact CG-CD 3.49Å; P529-Q787 HydrophobicContact CG-CG 4.23Å; G783-Q787 PolarHBondContact O-N 3.13Å; G783-Q787 VanDerWaalsContact O-N 3.14Å; R784-Q787 PolarHBondContact O-N 2.95Å |
| 788 | Y | 71.2 | Confident | 70.3 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 8% | 0.075 | 33% | 0.33 | C | S | . | . | trans | -69.2 | 157.1 | 172.1 | -65.1 | -23.6 | 0 | 0 | 0 | 111.1 | F641 W644 G783 R786 N790 V793 | F641-Y788 HydrophobicContact CB-CE1 4.07Å; F641-Y788 AromaticContact CD2-CD1 3.84Å; F641-Y788 HydrophobicContact CD2-CD1 3.84Å; F641-Y788 HydrophobicContact CD2-CD2 4.02Å; F641-Y788 HydrophobicContact CD2-CE1 4.17Å; F641-Y788 HydrophobicContact CD2-CE2 4.34Å; F641-Y788 AromaticContact CD2-CG 3.75Å; F641-Y788 HydrophobicContact CD2-CG 3.75Å; F641-Y788 HydrophobicContact CE2-CG 4.3Å; W644-Y788 HydrophobicContact CB-CD2 4.4Å; W644-Y788 HydrophobicContact CB-CE2 3.82Å; W644-Y788 AromaticContact CD2-CD2 3.41Å; W644-Y788 HydrophobicContact CD2-CD2 3.41Å; W644-Y788 VanDerWaalsContact CD2-CD2 3.41Å; W644-Y788 AromaticContact CD2-CE2 3.77Å; W644-Y788 HydrophobicContact CD2-CE2 3.77Å; W644-Y788 AromaticContact CE2-CD2 3.81Å; W644-Y788 AromaticContact CE3-CD2 3.41Å; W644-Y788 HydrophobicContact CE3-CD2 3.41Å; W644-Y788 VanDerWaalsContact CE3-CD2 3.41Å; W644-Y788 HydrophobicContact CE3-CE2 4.01Å; W644-Y788 HydrophobicContact CE3-CG 4.2Å; W644-Y788 AromaticContact CG-CD2 3.9Å; W644-Y788 HydrophobicContact CG-CD2 3.9Å; W644-Y788 AromaticContact CG-CE2 3.72Å; W644-Y788 HydrophobicContact CG-CE2 3.72Å; W644-Y788 HydrophobicContact CH2-CD2 4.19Å; W644-Y788 HydrophobicContact CZ2-CD2 4.19Å; W644-Y788 AromaticContact CZ3-CD2 3.82Å; W644-Y788 HydrophobicContact CZ3-CD2 3.82Å; W644-Y788 HydrophobicContact CZ3-CG 4.25Å; G783-Y788 PolarHBondContact O-N 3.36Å; R786-Y788 HydrophobicContact CB-CD1 3.79Å; R786-Y788 HydrophobicContact CB-CD2 3.94Å; R786-Y788 HydrophobicContact CB-CE1 3.58Å; R786-Y788 HydrophobicContact CB-CE2 3.76Å; R786-Y788 HydrophobicContact CB-CG 3.97Å; R786-Y788 HydrophobicContact CG-CE1 4.33Å; R786-Y788 HydrophobicContact CG-CE2 4.04Å; R786-Y788 PolarHBondContact O-N 3.5Å; Y788-N790 PolarHBondContact O-N 2.85Å; Y788-V793 VanDerWaalsContact O-CG2 3.28Å; Y788-V793 WeakPolarHBondContact O-CG2 3.47Å | ||
| 789 | P | 64.2 | Low | 69.7 | Low | 26 Ų | 26 | 63.7 Ų | 63.7 | 17% | 0.169 | 31% | 0.312 | C | S | . | . | trans | -51.7 | 126.5 | -163.1 | -30.6 | 37.2 | 0 | 0 | 0 | 113.2 | V532 F641 T791 L792 V793 | V532-P789 HydrophobicContact CB-CG 4.04Å; V532-P789 HydrophobicContact CG2-CG 3.6Å; F641-P789 HydrophobicContact CE2-CG 4.31Å; F641-P789 HydrophobicContact CZ-CG 4.4Å; P789-T791 PolarHBondContact O-N 3.38Å; P789-T791 VanDerWaalsContact O-N 3.11Å; P789-L792 PolarHBondContact O-N 2.79Å; P789-V793 PolarHBondContact O-N 3.02Å; P789-V793 VanDerWaalsContact O-N 3.1Å | ||
| 790 | N | 61.9 | Low | 69.4 | Low | 115 Ų | 115 | 63.6 Ų | 63.6 | 62% | 0.615 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -52 | -41.3 | -172.2 | -77.8 | -22 | 0 | 0 | 0 | 111.7 | Y788 L792 V793 E794 | Y788-N790 PolarHBondContact O-N 2.85Å; N790-L792 VanDerWaalsContact C-N 3.28Å; N790-L792 PolarHBondContact O-N 2.99Å; N790-V793 CarbonylContact O-C 3.17Å; N790-V793 PolarHBondContact O-N 2.91Å; N790-V793 VanDerWaalsContact O-N 3.16Å; N790-E794 WeakPolarHBondContact O-CA 3.49Å; N790-E794 WeakPolarHBondContact O-CB 3.21Å; N790-E794 WeakPolarHBondContact O-CG 3.45Å; N790-E794 PolarHBondContact O-N 3.45Å |
| 791 | T | 60.5 | Low | 68.9 | Low | 92 Ų | 92 | 68.3 Ų | 68.3 | 56% | 0.564 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -56.5 | -35.4 | 177.1 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | P789 R795 | P789-T791 PolarHBondContact O-N 3.38Å; P789-T791 VanDerWaalsContact O-N 3.11Å; T791-R795 WeakPolarHBondContact O-CB 3.27Å; T791-R795 VanDerWaalsContact O-CD 3.24Å; T791-R795 WeakPolarHBondContact O-CD 3.43Å; T791-R795 WeakPolarHBondContact O-CG 3.23Å; T791-R795 PolarHBondContact O-N 3.3Å; T791-R795 VanDerWaalsContact O-N 3.08Å |
| 792 | L | 64.6 | Low | 68.3 | Low | 46 Ų | 46 | 63.3 Ų | 63.3 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -84 | -36.3 | 179.3 | -142.6 | 162.3 | 0 | 0 | 0 | 110.8 | F641 W644 K645 I648 P789 N790 L796 | F641-L792 HydrophobicContact CZ-CD1 4.39Å; W644-L792 HydrophobicContact CH2-CB 4.47Å; W644-L792 HydrophobicContact CH2-CD2 3.97Å; W644-L792 HydrophobicContact CZ3-CB 4.47Å; W644-L792 HydrophobicContact CZ3-CD1 4.49Å; W644-L792 HydrophobicContact CZ3-CD2 3.89Å; K645-L792 HydrophobicContact CG-CD1 4.43Å; I648-L792 HydrophobicContact CD1-CD2 4.02Å; P789-L792 PolarHBondContact O-N 2.79Å; N790-L792 VanDerWaalsContact C-N 3.28Å; N790-L792 PolarHBondContact O-N 2.99Å; L792-L796 WeakPolarHBondContact O-CB 3.31Å; L792-L796 PolarHBondContact O-N 3.48Å |
| 793 | V | 70.7 | Confident | 67.5 | Low | 6 Ų | 6 | 63.3 Ų | 63.3 | 4% | 0.036 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.6 | -37.1 | 172.8 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | W644 L780 R784 Y788 P789 N790 N797 | W644-V793 HydrophobicContact CH2-CG2 3.8Å; W644-V793 HydrophobicContact CZ2-CG2 4.17Å; L780-V793 HydrophobicContact CD1-CG1 3.93Å; L780-V793 VanDerWaalsContact CD1-O 3.29Å; L780-V793 WeakPolarHBondContact CD1-O 3.4Å; R784-V793 HydrophobicContact CG-CG1 3.51Å; Y788-V793 VanDerWaalsContact O-CG2 3.28Å; Y788-V793 WeakPolarHBondContact O-CG2 3.47Å; P789-V793 PolarHBondContact O-N 3.02Å; P789-V793 VanDerWaalsContact O-N 3.1Å; N790-V793 CarbonylContact O-C 3.17Å; N790-V793 PolarHBondContact O-N 2.91Å; N790-V793 VanDerWaalsContact O-N 3.16Å; V793-N797 VanDerWaalsContact O-CB 3.26Å; V793-N797 WeakPolarHBondContact O-CB 3.39Å; V793-N797 PolarHBondContact O-N 2.98Å |
| 794 | E | 67.2 | Low | 67 | Low | 110 Ų | 110 | 65.6 Ų | 65.6 | 51% | 0.514 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.7 | -42.5 | 176.1 | -75.5 | 162 | 178.2 | 0 | 0 | 111.4 | N790 L796 N797 H798 | N790-E794 WeakPolarHBondContact O-CA 3.49Å; N790-E794 WeakPolarHBondContact O-CB 3.21Å; N790-E794 WeakPolarHBondContact O-CG 3.45Å; N790-E794 PolarHBondContact O-N 3.45Å; E794-L796 VanDerWaalsContact C-N 3.31Å; E794-L796 PolarHBondContact O-N 3Å; E794-N797 CarbonylContact O-C 3.46Å; E794-N797 WeakPolarHBondContact O-CA 3.5Å; E794-N797 WeakPolarHBondContact O-CB 3.44Å; E794-N797 PolarHBondContact O-N 3.07Å; E794-N797 VanDerWaalsContact O-N 3.12Å; E794-H798 WeakPolarHBondContact O-CB 3.21Å; E794-H798 PolarHBondContact O-N 2.87Å |
| 795 | R | 65 | Low | 66.2 | Low | 69 Ų | 69 | 63.6 Ų | 63.6 | 26% | 0.26 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 171.5 | -74.2 | 167.5 | 71.6 | 170 | 7.3 | 111.3 | L699 Y702 T791 H798 V799 | L699-R795 HydrophobicContact CD1-CG 4.06Å; Y702-R795 VanDerWaalsContact C-NH2 3.26Å; Y702-R795 PolarHBondContact O-NH1 3.22Å; Y702-R795 PolarHBondContact O-NH2 2.92Å; T791-R795 WeakPolarHBondContact O-CB 3.27Å; T791-R795 VanDerWaalsContact O-CD 3.24Å; T791-R795 WeakPolarHBondContact O-CD 3.43Å; T791-R795 WeakPolarHBondContact O-CG 3.23Å; T791-R795 PolarHBondContact O-N 3.3Å; T791-R795 VanDerWaalsContact O-N 3.08Å; R795-H798 PolarHBondContact O-N 3.24Å; R795-V799 WeakPolarHBondContact O-CG2 3.15Å; R795-V799 PolarHBondContact O-N 3.33Å |
| 796 | L | 71.1 | Confident | 65 | Low | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.4 | -37.4 | 171.7 | -175.7 | 63.5 | 0 | 0 | 0 | 112.1 | W644 I648 L776 L779 L780 L792 E794 V799 V800 | W644-L796 HydrophobicContact CZ2-CD2 4.3Å; I648-L796 HydrophobicContact CD1-CD2 3.76Å; I648-L796 HydrophobicContact CG1-CD2 4.14Å; I648-L796 HydrophobicContact CG2-CD1 4.5Å; L776-L796 HydrophobicContact CD2-CD1 3.88Å; L779-L796 HydrophobicContact CB-CD2 3.91Å; L780-L796 HydrophobicContact CB-CD2 4.03Å; L780-L796 HydrophobicContact CB-CG 4.28Å; L780-L796 HydrophobicContact CD1-CB 4.49Å; L780-L796 HydrophobicContact CD1-CG 4.44Å; L792-L796 WeakPolarHBondContact O-CB 3.31Å; L792-L796 PolarHBondContact O-N 3.48Å; E794-L796 VanDerWaalsContact C-N 3.31Å; E794-L796 PolarHBondContact O-N 3Å; L796-V799 PolarHBondContact O-N 3.04Å; L796-V800 WeakPolarHBondContact O-CB 3.22Å; L796-V800 VanDerWaalsContact O-CG2 3.31Å; L796-V800 WeakPolarHBondContact O-CG2 3.44Å; L796-V800 PolarHBondContact O-N 3.04Å |
| 797 | N | 75 | Confident | 64 | Low | 53 Ų | 53 | 59.2 Ų | 59.2 | 28% | 0.283 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 174.9 | -174.7 | 69.9 | 0 | 0 | 0 | 111.4 | L780 R784 V793 E794 V800 H801 | L780-N797 HydrophobicContact CD1-CB 3.79Å; L780-N797 HydrophobicContact CD2-CB 4.25Å; R784-N797 PolarHBondContact NH2-OD1 2.91Å; V793-N797 VanDerWaalsContact O-CB 3.26Å; V793-N797 WeakPolarHBondContact O-CB 3.39Å; V793-N797 PolarHBondContact O-N 2.98Å; E794-N797 CarbonylContact O-C 3.46Å; E794-N797 WeakPolarHBondContact O-CA 3.5Å; E794-N797 WeakPolarHBondContact O-CB 3.44Å; E794-N797 PolarHBondContact O-N 3.07Å; E794-N797 VanDerWaalsContact O-N 3.12Å; N797-V800 PolarHBondContact O-N 3.5Å; N797-H801 VanDerWaalsContact O-CB 3.28Å; N797-H801 WeakPolarHBondContact O-CB 3.49Å; N797-H801 PolarHBondContact O-N 2.89Å |
| 798 | H | 67.8 | Low | 63.3 | Low | 58 Ų | 58 | 55.5 Ų | 55.5 | 27% | 0.269 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67 | -42.9 | 175.7 | -168.3 | -37.5 | 0 | 0 | 0 | 110.9 | E794 R795 V800 H801 T802 | E794-H798 WeakPolarHBondContact O-CB 3.21Å; E794-H798 PolarHBondContact O-N 2.87Å; R795-H798 PolarHBondContact O-N 3.24Å; H798-V800 PolarHBondContact O-N 3.07Å; H798-H801 PolarHBondContact O-N 3.48Å; H798-T802 PolarHBondContact CE1-OG1 3.47Å; H798-T802 PolarHBondContact ND1-OG1 3.27Å; H798-T802 VanDerWaalsContact ND1-OG1 3.11Å; H798-T802 WeakPolarHBondContact O-CB 3.4Å; H798-T802 PolarHBondContact O-N 2.88Å; H798-T802 PolarHBondContact O-OG1 3.17Å |
| 799 | V | 66.6 | Low | 62.1 | Low | 42 Ų | 42 | 58.5 Ų | 58.5 | 26% | 0.255 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 172.6 | 168 | 0 | 0 | 0 | 0 | 111.1 | R795 L796 I803 | R795-V799 WeakPolarHBondContact O-CG2 3.15Å; R795-V799 PolarHBondContact O-N 3.33Å; L796-V799 PolarHBondContact O-N 3.04Å; V799-I803 HydrophobicContact CG1-CD1 3.66Å; V799-I803 WeakPolarHBondContact O-CB 3.37Å; V799-I803 WeakPolarHBondContact O-CD1 3.45Å; V799-I803 WeakPolarHBondContact O-CG1 3.41Å; V799-I803 PolarHBondContact O-N 3.49Å |
| 800 | V | 71.4 | Confident | 61.1 | Low | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 173 | 164.8 | 0 | 0 | 0 | 0 | 111.6 | L776 N777 L780 L796 N797 H798 S804 | L776-V800 HydrophobicContact CB-CG2 3.61Å; N777-V800 WeakPolarHBondContact ND2-CG1 3.5Å; L780-V800 HydrophobicContact CB-CG2 4.42Å; L780-V800 HydrophobicContact CD2-CB 4.19Å; L780-V800 HydrophobicContact CD2-CG1 4.12Å; L780-V800 HydrophobicContact CD2-CG2 4.14Å; L796-V800 WeakPolarHBondContact O-CB 3.22Å; L796-V800 VanDerWaalsContact O-CG2 3.31Å; L796-V800 WeakPolarHBondContact O-CG2 3.44Å; L796-V800 PolarHBondContact O-N 3.04Å; N797-V800 PolarHBondContact O-N 3.5Å; H798-V800 PolarHBondContact O-N 3.07Å; V800-S804 WeakPolarHBondContact O-CB 3.3Å; V800-S804 PolarHBondContact O-N 3.11Å |
| 801 | H | 66.7 | Low | 60.5 | Low | 102 Ų | 102 | 61.8 Ų | 61.8 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -53.6 | -179.2 | -161.1 | -85.6 | 0 | 0 | 0 | 110.5 | N797 H798 I803 S804 E805 | N797-H801 VanDerWaalsContact O-CB 3.28Å; N797-H801 WeakPolarHBondContact O-CB 3.49Å; N797-H801 PolarHBondContact O-N 2.89Å; H798-H801 PolarHBondContact O-N 3.48Å; H801-I803 PolarHBondContact O-N 2.82Å; H801-S804 CarbonylContact O-C 3.53Å; H801-S804 WeakPolarHBondContact O-CA 3.01Å; H801-S804 VanDerWaalsContact O-CB 3.32Å; H801-S804 WeakPolarHBondContact O-CB 3.48Å; H801-S804 PolarHBondContact O-N 2.88Å; H801-E805 IonicContact CE1-OE1 3.1Å; H801-E805 PolarHBondContact CE1-OE1 3.03Å; H801-E805 VanDerWaalsContact CE1-OE1 3.25Å; H801-E805 IonicContact CE1-OE2 3.39Å; H801-E805 PolarHBondContact CE1-OE2 2.94Å; H801-E805 IonicContact CG-OE2 2.84Å; H801-E805 IonicContact ND1-OE1 2.73Å; H801-E805 PolarHBondContact ND1-OE1 2.82Å; H801-E805 IonicContact ND1-OE2 2.69Å; H801-E805 PolarHBondContact ND1-OE2 3.05Å; H801-E805 WeakPolarHBondContact O-CG 3.23Å; H801-E805 PolarHBondContact O-N 3.12Å |
| 802 | T | 63.1 | Low | 60 | Low | 52 Ų | 52 | 64.9 Ų | 64.9 | 32% | 0.319 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -43.6 | 178.1 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | H798 S804 E805 C806 | H798-T802 PolarHBondContact CE1-OG1 3.47Å; H798-T802 PolarHBondContact ND1-OG1 3.27Å; H798-T802 VanDerWaalsContact ND1-OG1 3.11Å; H798-T802 WeakPolarHBondContact O-CB 3.4Å; H798-T802 PolarHBondContact O-N 2.88Å; H798-T802 PolarHBondContact O-OG1 3.17Å; T802-S804 VanDerWaalsContact C-N 3.33Å; T802-S804 PolarHBondContact O-N 3.49Å; T802-E805 PolarHBondContact O-N 2.74Å; T802-C806 VanDerWaalsContact O-CB 3.31Å; T802-C806 WeakPolarHBondContact O-CB 3.38Å; T802-C806 PolarHBondContact O-N 3.19Å; T802-C806 PolarHBondContact O-SG 3.01Å |
| 803 | I | 60.3 | Low | 58.9 | Low | 73 Ų | 73 | 68 Ų | 68 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.2 | -31.6 | 176.4 | -62.2 | 168.1 | 0 | 0 | 0 | 111.2 | L773 L776 V799 H801 S807 | L773-I803 HydrophobicContact CD1-CB 3.95Å; L773-I803 HydrophobicContact CD1-CG2 3.72Å; L776-I803 HydrophobicContact CD1-CD1 3.64Å; V799-I803 HydrophobicContact CG1-CD1 3.66Å; V799-I803 WeakPolarHBondContact O-CB 3.37Å; V799-I803 WeakPolarHBondContact O-CD1 3.45Å; V799-I803 WeakPolarHBondContact O-CG1 3.41Å; V799-I803 PolarHBondContact O-N 3.49Å; H801-I803 PolarHBondContact O-N 2.82Å; I803-S807 WeakPolarHBondContact O-CB 3.27Å; I803-S807 PolarHBondContact O-N 3.13Å |
| 804 | S | 61.6 | Low | 57.7 | Low | 48 Ų | 48 | 72 Ų | 72 | 34% | 0.336 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68 | -44 | 173.8 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | V800 H801 T802 S807 S808 | V800-S804 WeakPolarHBondContact O-CB 3.3Å; V800-S804 PolarHBondContact O-N 3.11Å; H801-S804 CarbonylContact O-C 3.53Å; H801-S804 WeakPolarHBondContact O-CA 3.01Å; H801-S804 VanDerWaalsContact O-CB 3.32Å; H801-S804 WeakPolarHBondContact O-CB 3.48Å; H801-S804 PolarHBondContact O-N 2.88Å; T802-S804 VanDerWaalsContact C-N 3.33Å; T802-S804 PolarHBondContact O-N 3.49Å; S804-S807 CarbonylContact O-C 3.55Å; S804-S807 WeakPolarHBondContact O-CB 3.39Å; S804-S807 PolarHBondContact O-N 3.22Å; S804-S808 PolarHBondContact O-N 3.08Å |
| 805 | E | 55 | Low | 56.9 | Low | 95 Ų | 95 | 70.5 Ų | 70.5 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.8 | -51 | 175.7 | -72.4 | 173.8 | 122.3 | 0 | 0 | 110.9 | H801 T802 S807 S808 V809 | H801-E805 IonicContact CE1-OE1 3.1Å; H801-E805 PolarHBondContact CE1-OE1 3.03Å; H801-E805 VanDerWaalsContact CE1-OE1 3.25Å; H801-E805 IonicContact CE1-OE2 3.39Å; H801-E805 PolarHBondContact CE1-OE2 2.94Å; H801-E805 IonicContact CG-OE2 2.84Å; H801-E805 IonicContact ND1-OE1 2.73Å; H801-E805 PolarHBondContact ND1-OE1 2.82Å; H801-E805 IonicContact ND1-OE2 2.69Å; H801-E805 PolarHBondContact ND1-OE2 3.05Å; H801-E805 WeakPolarHBondContact O-CG 3.23Å; H801-E805 PolarHBondContact O-N 3.12Å; T802-E805 PolarHBondContact O-N 2.74Å; E805-S807 VanDerWaalsContact C-N 3.27Å; E805-S807 PolarHBondContact O-N 2.83Å; E805-S808 CarbonylContact O-C 3.19Å; E805-S808 WeakPolarHBondContact O-CA 3.22Å; E805-S808 WeakPolarHBondContact O-CB 3.48Å; E805-S808 PolarHBondContact O-N 2.91Å; E805-S808 PolarHBondContact O-OG 3.21Å; E805-V809 WeakPolarHBondContact O-CG2 3.36Å; E805-V809 PolarHBondContact O-N 3.36Å |
| 806 | C | 46.4 | Very low | 56.1 | Low | 61 Ų | 61 | 71 Ų | 71 | 41% | 0.412 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -55.9 | -41.9 | 171.6 | -69.4 | 0 | 0 | 0 | 0 | 111.3 | T802 S808 V809 V810 | T802-C806 VanDerWaalsContact O-CB 3.31Å; T802-C806 WeakPolarHBondContact O-CB 3.38Å; T802-C806 PolarHBondContact O-N 3.19Å; T802-C806 PolarHBondContact O-SG 3.01Å; C806-S808 VanDerWaalsContact C-N 3.28Å; C806-S808 PolarHBondContact O-N 2.99Å; C806-V809 PolarHBondContact O-N 2.93Å; C806-V810 VanDerWaalsContact O-CB 3.26Å; C806-V810 WeakPolarHBondContact O-CB 3.3Å; C806-V810 VanDerWaalsContact O-CG2 3.24Å; C806-V810 WeakPolarHBondContact O-CG2 3.47Å; C806-V810 PolarHBondContact O-N 3.24Å |
| 807 | S | 49.5 | Very low | 54.5 | Low | 39 Ų | 39 | 79 Ų | 79 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.9 | -28.1 | 175 | -177.5 | 0 | 0 | 0 | 0 | 113 | I803 S804 E805 R811 | I803-S807 WeakPolarHBondContact O-CB 3.27Å; I803-S807 PolarHBondContact O-N 3.13Å; S804-S807 CarbonylContact O-C 3.55Å; S804-S807 WeakPolarHBondContact O-CB 3.39Å; S804-S807 PolarHBondContact O-N 3.22Å; E805-S807 VanDerWaalsContact C-N 3.27Å; E805-S807 PolarHBondContact O-N 2.83Å; S807-R811 VanDerWaalsContact O-CB 3.27Å; S807-R811 WeakPolarHBondContact O-CB 3.46Å; S807-R811 PolarHBondContact O-N 2.96Å; S807-R811 PolarHBondContact O-NE 3.47Å; S807-R811 PolarHBondContact OG-NE 3.12Å; S807-R811 PolarHBondContact OG-NH2 3.47Å |
| 808 | S | 49.2 | Very low | 53.1 | Low | 46 Ų | 46 | 82.3 Ų | 82.3 | 32% | 0.322 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -76.9 | -39.3 | 174.3 | 85.5 | 0 | 0 | 0 | 0 | 112.1 | S804 E805 C806 R811 K812 | S804-S808 PolarHBondContact O-N 3.08Å; E805-S808 CarbonylContact O-C 3.19Å; E805-S808 WeakPolarHBondContact O-CA 3.22Å; E805-S808 WeakPolarHBondContact O-CB 3.48Å; E805-S808 PolarHBondContact O-N 2.91Å; E805-S808 PolarHBondContact O-OG 3.21Å; C806-S808 VanDerWaalsContact C-N 3.28Å; C806-S808 PolarHBondContact O-N 2.99Å; S808-R811 PolarHBondContact O-N 3.49Å; S808-K812 WeakPolarHBondContact O-CG 3.32Å; S808-K812 PolarHBondContact O-N 3.15Å |
| 809 | V | 46 | Very low | 52.2 | Low | 81 Ų | 81 | 84.1 Ų | 84.1 | 49% | 0.491 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 174.9 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | E805 C806 R811 K812 L813 | E805-V809 WeakPolarHBondContact O-CG2 3.36Å; E805-V809 PolarHBondContact O-N 3.36Å; C806-V809 PolarHBondContact O-N 2.93Å; V809-R811 VanDerWaalsContact C-N 3.33Å; V809-R811 PolarHBondContact O-N 2.61Å; V809-K812 PolarHBondContact O-N 2.99Å; V809-L813 HydrophobicContact CG1-CD1 4.2Å; V809-L813 WeakPolarHBondContact O-CB 3.21Å; V809-L813 PolarHBondContact O-N 2.78Å |
| 810 | V | 43.5 | Very low | 51 | Low | 75 Ų | 75 | 84.9 Ų | 84.9 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 172.1 | 169.5 | 0 | 0 | 0 | 0 | 111 | C806 L813 I814 | C806-V810 VanDerWaalsContact O-CB 3.26Å; C806-V810 WeakPolarHBondContact O-CB 3.3Å; C806-V810 VanDerWaalsContact O-CG2 3.24Å; C806-V810 WeakPolarHBondContact O-CG2 3.47Å; C806-V810 PolarHBondContact O-N 3.24Å; V810-L813 PolarHBondContact O-N 3.42Å; V810-I814 HydrophobicContact CG1-CD1 3.66Å; V810-I814 HydrophobicContact CG1-CG1 4.31Å; V810-I814 WeakPolarHBondContact O-CB 3.26Å; V810-I814 WeakPolarHBondContact O-CG1 3.28Å; V810-I814 PolarHBondContact O-N 3.05Å |
| 811 | R | 50 | Low | 49.4 | Very low | 135 Ų | 135 | 87.3 Ų | 87.3 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 171 | -94.2 | 172.6 | -77 | 163.4 | -6.6 | 112.8 | S807 S808 V809 L813 I814 T815 | S807-R811 VanDerWaalsContact O-CB 3.27Å; S807-R811 WeakPolarHBondContact O-CB 3.46Å; S807-R811 PolarHBondContact O-N 2.96Å; S807-R811 PolarHBondContact O-NE 3.47Å; S807-R811 PolarHBondContact OG-NE 3.12Å; S807-R811 PolarHBondContact OG-NH2 3.47Å; S808-R811 PolarHBondContact O-N 3.49Å; V809-R811 VanDerWaalsContact C-N 3.33Å; V809-R811 PolarHBondContact O-N 2.61Å; R811-L813 VanDerWaalsContact C-N 3.33Å; R811-L813 PolarHBondContact O-N 3.34Å; R811-I814 CarbonylContact O-C 3.57Å; R811-I814 PolarHBondContact O-N 3.29Å; R811-T815 WeakPolarHBondContact O-CB 3.42Å; R811-T815 PolarHBondContact O-N 3.48Å; R811-T815 PolarHBondContact O-OG1 3.08Å; R811-T815 VanDerWaalsContact O-OG1 3.09Å |
| 812 | K | 48.5 | Very low | 48.1 | Very low | 157 Ų | 157 | 88.4 Ų | 88.4 | 68% | 0.683 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.6 | -40.7 | 174.4 | -74.4 | 175.2 | 178.6 | 179.8 | 0 | 111.8 | S808 V809 T815 S816 | S808-K812 WeakPolarHBondContact O-CG 3.32Å; S808-K812 PolarHBondContact O-N 3.15Å; V809-K812 PolarHBondContact O-N 2.99Å; K812-T815 PolarHBondContact O-N 3.47Å; K812-S816 WeakPolarHBondContact O-CB 3.44Å; K812-S816 PolarHBondContact O-N 3.22Å |
| 813 | L | 41.4 | Very low | 46.7 | Very low | 111 Ų | 111 | 90.6 Ų | 90.6 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 172.3 | -80.6 | 162.9 | 0 | 0 | 0 | 111.9 | V809 V810 R811 T815 S816 Y817 | V809-L813 HydrophobicContact CG1-CD1 4.2Å; V809-L813 WeakPolarHBondContact O-CB 3.21Å; V809-L813 PolarHBondContact O-N 2.78Å; V810-L813 PolarHBondContact O-N 3.42Å; R811-L813 VanDerWaalsContact C-N 3.33Å; R811-L813 PolarHBondContact O-N 3.34Å; L813-T815 VanDerWaalsContact C-N 3.33Å; L813-T815 PolarHBondContact O-N 3.37Å; L813-S816 PolarHBondContact O-N 2.71Å; L813-Y817 VanDerWaalsContact O-CB 3.32Å; L813-Y817 WeakPolarHBondContact O-CB 3.41Å; L813-Y817 PolarHBondContact O-N 3.23Å |
| 814 | I | 45.7 | Very low | 45.5 | Very low | 92 Ų | 92 | 94.2 Ų | 94.2 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -32 | 175.7 | -72 | 169.2 | 0 | 0 | 0 | 111.6 | V810 R811 K818 | V810-I814 HydrophobicContact CG1-CD1 3.66Å; V810-I814 HydrophobicContact CG1-CG1 4.31Å; V810-I814 WeakPolarHBondContact O-CB 3.26Å; V810-I814 WeakPolarHBondContact O-CG1 3.28Å; V810-I814 PolarHBondContact O-N 3.05Å; R811-I814 CarbonylContact O-C 3.57Å; R811-I814 PolarHBondContact O-N 3.29Å; I814-K818 WeakPolarHBondContact O-CA 3.14Å; I814-K818 VanDerWaalsContact O-CB 3.22Å; I814-K818 WeakPolarHBondContact O-CB 3.41Å; I814-K818 WeakPolarHBondContact O-CG 3.39Å; I814-K818 PolarHBondContact O-N 3.03Å |
| 815 | T | 52 | Low | 44 | Very low | 78 Ų | 78 | 101 Ų | 101 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.7 | -44 | 170.9 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | R811 K812 L813 Y817 K818 N819 | R811-T815 WeakPolarHBondContact O-CB 3.42Å; R811-T815 PolarHBondContact O-N 3.48Å; R811-T815 PolarHBondContact O-OG1 3.08Å; R811-T815 VanDerWaalsContact O-OG1 3.09Å; K812-T815 PolarHBondContact O-N 3.47Å; L813-T815 VanDerWaalsContact C-N 3.33Å; L813-T815 PolarHBondContact O-N 3.37Å; T815-Y817 VanDerWaalsContact C-N 3.3Å; T815-Y817 PolarHBondContact O-N 3.1Å; T815-K818 PolarHBondContact O-N 3Å; T815-N819 PolarHBondContact O-N 3.3Å; T815-N819 PolarHBondContact O-OD1 3.43Å |
| 816 | S | 46.2 | Very low | 42.9 | Very low | 80 Ų | 80 | 104.6 Ų | 104.6 | 56% | 0.559 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.2 | -40.8 | 173.8 | -165.6 | 0 | 0 | 0 | 0 | 111.9 | K812 L813 N819 A820 | K812-S816 WeakPolarHBondContact O-CB 3.44Å; K812-S816 PolarHBondContact O-N 3.22Å; L813-S816 PolarHBondContact O-N 2.71Å; S816-N819 PolarHBondContact O-N 2.71Å; S816-A820 PolarHBondContact O-N 3.01Å; S816-A820 VanDerWaalsContact O-N 3.11Å |
| 817 | Y | 39.2 | Very low | 42 | Very low | 172 Ų | 172 | 106.9 Ų | 106.9 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.8 | -34.2 | 176 | -151.8 | -92.6 | 0 | 0 | 0 | 112.2 | L813 T815 A820 C821 | L813-Y817 VanDerWaalsContact O-CB 3.32Å; L813-Y817 WeakPolarHBondContact O-CB 3.41Å; L813-Y817 PolarHBondContact O-N 3.23Å; T815-Y817 VanDerWaalsContact C-N 3.3Å; T815-Y817 PolarHBondContact O-N 3.1Å; Y817-A820 CarbonylContact O-C 3.49Å; Y817-A820 WeakPolarHBondContact O-CB 3.41Å; Y817-A820 PolarHBondContact O-N 3.42Å; Y817-C821 WeakPolarHBondContact O-CB 3.49Å; Y817-C821 PolarHBondContact O-N 3.05Å; Y817-C821 PolarHBondContact O-SG 3.38Å |
| 818 | K | 45.3 | Very low | 41 | Very low | 123 Ų | 123 | 113.3 Ų | 113.3 | 54% | 0.535 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64 | -44.7 | 170.3 | -96 | -161.7 | 161.8 | -147 | 0 | 111.3 | I814 T815 A820 C821 E822 | I814-K818 WeakPolarHBondContact O-CA 3.14Å; I814-K818 VanDerWaalsContact O-CB 3.22Å; I814-K818 WeakPolarHBondContact O-CB 3.41Å; I814-K818 WeakPolarHBondContact O-CG 3.39Å; I814-K818 PolarHBondContact O-N 3.03Å; T815-K818 PolarHBondContact O-N 3Å; K818-A820 PolarHBondContact O-N 3.36Å; K818-C821 CarbonylContact O-C 3.47Å; K818-C821 PolarHBondContact O-N 3.49Å; K818-E822 WeakPolarHBondContact O-CB 3.28Å; K818-E822 VanDerWaalsContact O-CG 3.3Å; K818-E822 WeakPolarHBondContact O-CG 3.4Å; K818-E822 PolarHBondContact O-N 3.4Å |
| 819 | N | 49.1 | Very low | 39.8 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 51% | 0.508 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.3 | -34.2 | 175.9 | -63.3 | 7.6 | 0 | 0 | 0 | 110.9 | T815 S816 S823 | T815-N819 PolarHBondContact O-N 3.3Å; T815-N819 PolarHBondContact O-OD1 3.43Å; S816-N819 PolarHBondContact O-N 2.71Å; N819-S823 PolarHBondContact O-OG 3.37Å |
| 820 | A | 41.4 | Very low | 38.9 | Very low | 58 Ų | 58 | 122.1 Ų | 122.1 | 48% | 0.479 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.3 | -36.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S816 Y817 K818 S823 | S816-A820 PolarHBondContact O-N 3.01Å; S816-A820 VanDerWaalsContact O-N 3.11Å; Y817-A820 CarbonylContact O-C 3.49Å; Y817-A820 WeakPolarHBondContact O-CB 3.41Å; Y817-A820 PolarHBondContact O-N 3.42Å; K818-A820 PolarHBondContact O-N 3.36Å; A820-S823 VanDerWaalsContact O-CB 3.3Å; A820-S823 WeakPolarHBondContact O-CB 3.41Å |
| 821 | C | 37.9 | Very low | 38 | Very low | 60 Ų | 60 | 126.1 Ų | 126.1 | 41% | 0.405 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -80.9 | -24.4 | 177.1 | -69.4 | 0 | 0 | 0 | 0 | 114.2 | Y817 K818 S823 M824 | Y817-C821 WeakPolarHBondContact O-CB 3.49Å; Y817-C821 PolarHBondContact O-N 3.05Å; Y817-C821 PolarHBondContact O-SG 3.38Å; K818-C821 CarbonylContact O-C 3.47Å; K818-C821 PolarHBondContact O-N 3.49Å; C821-S823 PolarHBondContact O-N 2.73Å; C821-M824 CarbonylContact O-C 3.49Å; C821-M824 WeakPolarHBondContact O-CA 3.23Å; C821-M824 WeakPolarHBondContact O-CB 3.47Å; C821-M824 PolarHBondContact O-N 3.25Å |
| 822 | E | 38 | Very low | 36.9 | Very low | 125 Ų | 125 | 127 Ų | 127 | 58% | 0.584 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71 | -15.7 | 172.3 | -75.7 | 166.8 | -169.4 | 0 | 0 | 110.9 | K818 M824 | K818-E822 WeakPolarHBondContact O-CB 3.28Å; K818-E822 VanDerWaalsContact O-CG 3.3Å; K818-E822 WeakPolarHBondContact O-CG 3.4Å; K818-E822 PolarHBondContact O-N 3.4Å; E822-M824 PolarHBondContact O-N 2.95Å |
| 823 | S | 35.1 | Very low | 35.8 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -7.9 | 162.3 | -52.7 | 0 | 0 | 0 | 0 | 113.3 | N819 A820 C821 | N819-S823 PolarHBondContact O-OG 3.37Å; A820-S823 VanDerWaalsContact O-CB 3.3Å; A820-S823 WeakPolarHBondContact O-CB 3.41Å; C821-S823 PolarHBondContact O-N 2.73Å |
| 824 | M | 35.4 | Very low | 35.1 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -123 | 75.3 | -176.1 | -70.3 | -173.8 | 62.9 | 0 | 0 | 112.9 | C821 E822 | C821-M824 CarbonylContact O-C 3.49Å; C821-M824 WeakPolarHBondContact O-CA 3.23Å; C821-M824 WeakPolarHBondContact O-CB 3.47Å; C821-M824 PolarHBondContact O-N 3.25Å; E822-M824 PolarHBondContact O-N 2.95Å |
| 825 | K | 29.7 | Very low | 34 | Very low | 189 Ų | 189 | 132.5 Ų | 132.5 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | 61.5 | 94.1 | 157.6 | -64.4 | -174.1 | 176 | -177.2 | 0 | 117.6 | T827 | K825-T827 PolarHBondContact O-N 3.35Š| ||
| 826 | I | 31 | Very low | 32.6 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 88% | 0.882 | 70% | 0.704 | S | S | * | * | trans | -54.3 | 115.1 | 141.5 | -62.7 | 160.4 | 0 | 0 | 0 | 109.1 | ||||
| 827 | T | 28.8 | Very low | 31.7 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | trans | -160.3 | 128.4 | 154.6 | -22.3 | 0 | 0 | 0 | 0 | 112.2 | K825 | K825-T827 PolarHBondContact O-N 3.35Š| ||
| 828 | Q | 28.4 | Very low | 31 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 81% | 0.808 | 71% | 0.711 | S | S | * | * | trans | 62.1 | 88.7 | 164.9 | -75.6 | 173.6 | -31.8 | 0 | 0 | 119.7 | ||||
| 829 | E | 23.8 | Very low | 29.9 | Very low | 198 Ų | 198 | 140.6 Ų | 140.6 | 93% | 0.925 | 73% | 0.727 | S | S | * | * | trans | -86.2 | 128.6 | 133.9 | -62.6 | 173.9 | 124.2 | 0 | 0 | 109 | ||||
| 830 | T | 26.9 | Very low | 28.9 | Very low | 114 Ų | 114 | 143 Ų | 143 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | 171.6 | 126.6 | 165.7 | 29.8 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 831 | E | 24.8 | Very low | 28.1 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | cis | -137.1 | -166.7 | 5.5 | -55.1 | -173.1 | 94.5 | 0 | 0 | 107.8 | ||||
| 832 | M | 27.1 | Very low | 27.3 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | cis | -150.1 | 160.5 | 6.4 | -157.9 | 176 | -76.3 | 0 | 0 | 111.7 | ||||
| 833 | K | 24.8 | Very low | 26.6 | Very low | 193 Ų | 193 | 147 Ų | 147 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -66 | 156.4 | 174.4 | -52.8 | 139.8 | -177.9 | 164.5 | 0 | 111.7 | ||||
| 834 | S | 26.7 | Very low | 26.1 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -127.3 | 149.2 | 141.1 | 63.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 835 | L | 22.8 | Very low | 25.8 | Very low | 160 Ų | 160 | 151.7 Ų | 151.7 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -161 | 146.6 | -178 | -136.8 | -177.9 | 0 | 0 | 0 | 108.3 | ||||
| 836 | K | 23.4 | Very low | 25.5 | Very low | 174 Ų | 174 | 149.4 Ų | 149.4 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | 89.8 | 122.2 | 165.8 | -69 | -157.4 | 170.5 | -167.6 | 0 | 120.2 | ||||
| 837 | Y | 26.6 | Very low | 25.3 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | 85.9 | 164.4 | 128.9 | -88.2 | -99 | 0 | 0 | 0 | 122.6 | |||||
| 838 | E | 23.4 | Very low | 25.1 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | trans | -105 | -158.8 | -158 | -67.4 | 160.6 | 116.1 | 0 | 0 | 111.2 | ||||
| 839 | S | 23.7 | Very low | 25.2 | Very low | 122 Ų | 122 | 148 Ų | 148 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 73.4 | 117.3 | 178.1 | 75.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 840 | T | 27 | Very low | 25.5 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | trans | -117 | 120.7 | 155.1 | 48.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 841 | D | 24.1 | Very low | 25.7 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -147.7 | 169.7 | 155.5 | -153.3 | -6.3 | 0 | 0 | 0 | 109.4 | ||||
| 842 | S | 22.4 | Very low | 26 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -30.9 | 147.6 | -176.4 | 62.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 843 | G | 23.9 | Very low | 26.3 | Very low | 60 Ų | 60 | 144.6 Ų | 144.6 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | cis | 156.8 | -179.3 | 4.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 844 | H | 22.9 | Very low | 26.3 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | trans | 64.5 | 140.4 | -166.4 | -45.3 | -62.5 | 0 | 0 | 0 | 112.2 | ||||
| 845 | E | 29.5 | Very low | 26.4 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | cis | -68 | 156.6 | 8 | -70.1 | 130.6 | -159.7 | 0 | 0 | 113.5 | ||||
| 846 | E | 24.1 | Very low | 26.7 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 65% | 0.654 | 73% | 0.731 | S | S | * | * | cis | 68.2 | 136.1 | 42.3 | -58.5 | 168.7 | -177.8 | 0 | 0 | 110.8 | ||||
| 847 | E | 25.5 | Very low | 27 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | cis | -149.7 | -166.7 | -5 | -126.9 | 164.8 | -170.2 | 0 | 0 | 108.8 | ||||
| 848 | D | 26.3 | Very low | 27 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | trans | -27.6 | 150.9 | 161.9 | -46.6 | -38.7 | 0 | 0 | 0 | 114.9 | ||||
| 849 | D | 29.1 | Very low | 27.2 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | -165.8 | 171.6 | 63.5 | -103.7 | -43 | 0 | 0 | 0 | 113.6 | |||||
| 850 | D | 31.2 | Very low | 27.3 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 66% | 0.663 | 71% | 0.705 | S | S | * | * | trans | 65.1 | 120.1 | 148.5 | -77.4 | -19.6 | 0 | 0 | 0 | 121.9 | ||||
| 851 | H | 31.4 | Very low | 27.4 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | trans | 69 | 140.3 | 151.4 | -58.5 | -55.7 | 0 | 0 | 0 | 119.4 | ||||
| 852 | D | 30.6 | Very low | 27.6 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 58% | 0.583 | 66% | 0.664 | S | S | * | * | cis | -171.5 | 154 | -13.9 | -110.4 | -4 | 0 | 0 | 0 | 107.8 | ||||
| 853 | F | 32 | Very low | 28 | Very low | 166 Ų | 166 | 128.1 Ų | 128.1 | 73% | 0.728 | 67% | 0.668 | S | S | * | * | trans | 54.7 | 119.2 | 157 | -68.7 | -57.5 | 0 | 0 | 0 | 118.4 | N855 | F853-N855 HydrophobicContact CD1-CB 4.24Š| ||
| 854 | E | 25 | Very low | 28.4 | Very low | 175 Ų | 175 | 127.6 Ų | 127.6 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | cis | 50.5 | 158 | 25.1 | -71.3 | -164.5 | 153.2 | 0 | 0 | 115.2 | ||||
| 855 | N | 28.9 | Very low | 28.6 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 61% | 0.61 | 65% | 0.651 | S | S | * | * | trans | 68.3 | 153.8 | 176.5 | -68 | 40.9 | 0 | 0 | 0 | 115.8 | F853 | F853-N855 HydrophobicContact CD1-CB 4.24Š| ||
| 856 | D | 30.3 | Very low | 28.8 | Very low | 129 Ų | 129 | 117 Ų | 117 | 69% | 0.69 | 63% | 0.632 | S | S | * | * | cis | -150.1 | 170 | -5.2 | -115 | -16.5 | 0 | 0 | 0 | 114.4 | ||||
| 857 | D | 29.3 | Very low | 29.1 | Very low | 141 Ų | 141 | 116.5 Ų | 116.5 | 75% | 0.754 | 63% | 0.63 | S | S | * | * | trans | -44.6 | 162.5 | 172.6 | -64.8 | -31 | 0 | 0 | 0 | 120 | A859 | D857-A859 PolarHBondContact O-N 3.44Š| ||
| 858 | D | 25.9 | Very low | 29.4 | Very low | 148 Ų | 148 | 118 Ų | 118 | 79% | 0.791 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 12.9 | 96 | 140.1 | -66.3 | -30.5 | 0 | 0 | 0 | 120.5 | ||
| 859 | A | 27.8 | Very low | 29.7 | Very low | 62 Ų | 62 | 118.8 Ų | 118.8 | 51% | 0.512 | 63% | 0.626 | S | S | . | * | trans | 78.3 | 139 | 132.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | D857 R906 | D857-A859 PolarHBondContact O-N 3.44Å; A859-R906 VanDerWaalsContact C-NH2 3.26Å; A859-R906 PolarHBondContact O-NH1 3.04Å; A859-R906 PolarHBondContact O-NH2 3.46Å | ||
| 860 | D | 26.3 | Very low | 29.9 | Very low | 72 Ų | 72 | 117.9 Ų | 117.9 | 39% | 0.385 | 62% | 0.617 | S | S | . | * | trans | 40.3 | 133.1 | 162.1 | 0.1 | -66.2 | 0 | 0 | 0 | 124.3 | D904 S905 R906 | D860-D904 VanDerWaalsContact CA-OD2 3.29Å; D860-D904 WeakPolarHBondContact CA-OD2 3.32Å; D860-D904 HydrophobicContact CB-CB 4.02Å; D860-S905 WeakPolarHBondContact CB-OG 3.42Å; D860-S905 PolarHBondContact OD2-OG 3.44Å; D860-R906 WeakPolarHBondContact O-CD 3.1Å; D860-R906 PolarHBondContact O-NE 2.79Å; D860-R906 IonicContact OD2-CZ 3.5Å; D860-R906 IonicContact OD2-NE 3.49Å; D860-R906 PolarHBondContact OD2-NE 3.44Å; D860-R906 IonicContact OD2-NH2 2.73Å; D860-R906 PolarHBondContact OD2-NH2 3.5Å | ||
| 861 | N | 30 | Very low | 30.4 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 61% | 0.61 | 63% | 0.628 | S | S | * | * | trans | -163.2 | 113.9 | 139 | -150 | -1.7 | 0 | 0 | 0 | 114.4 | D904 | N861-D904 PolarHBondContact N-OD2 3.46Š| ||
| 862 | D | 27.9 | Very low | 30.5 | Very low | 55 Ų | 55 | 119.3 Ų | 119.3 | 29% | 0.294 | 62% | 0.623 | S | S | . | * | trans | -92.1 | 129.5 | -171.6 | -165.2 | -44 | 0 | 0 | 0 | 113.1 | E903 D904 S905 | D862-E903 HydrophobicContact CB-CB 4.27Å; D862-E903 VanDerWaalsContact CG-CB 3.46Å; D862-E903 VanDerWaalsContact OD2-CB 3.22Å; D862-E903 WeakPolarHBondContact OD2-CB 3.44Å; D862-D904 HydrophobicContact CB-CB 3.65Å; D862-D904 PolarHBondContact OD2-N 3.09Å; D862-S905 WeakPolarHBondContact CB-O 3.35Å; D862-S905 PolarHBondContact N-O 2.89Å | ||
| 863 | N | 30.3 | Very low | 30.4 | Very low | 155 Ų | 155 | 116.6 Ų | 116.6 | 83% | 0.829 | 61% | 0.606 | S | S | * | * | trans | -167.8 | 65.4 | 172.7 | -98.4 | -71.5 | 0 | 0 | 0 | 113.2 | E903 | N863-E903 PolarHBondContact N-OE2 3.25Å; N863-E903 VanDerWaalsContact N-OE2 3.07Å | ||
| 864 | G | 31.8 | Very low | 30.2 | Very low | 50 Ų | 50 | 116.7 Ų | 116.7 | 52% | 0.515 | 61% | 0.609 | S | S | . | * | trans | -132.4 | 5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | S866 E903 | G864-S866 PolarHBondContact O-N 2.87Å; G864-S866 VanDerWaalsContact O-N 3.12Å; G864-E903 WeakPolarHBondContact CA-OE1 3.19Å; G864-E903 PolarHBondContact N-OE2 2.8Å | ||
| 865 | A | 27.7 | Very low | 30.4 | Very low | 65 Ų | 65 | 114.1 Ų | 114.1 | 54% | 0.537 | 60% | 0.601 | S | S | . | * | trans | -65.6 | 106.6 | -156 | 0 | 0 | 0 | 0 | 0 | 119.8 | T876 | A865-T876 HydrophobicContact CB-CG2 4.27Š| ||
| 866 | S | 32.9 | Very low | 30.3 | Very low | 60 Ų | 60 | 113 Ų | 113 | 42% | 0.42 | 60% | 0.598 | S | S | . | * | 74.3 | 94.7 | 121.1 | -150.1 | 0 | 0 | 0 | 0 | 121.8 | G864 K873 | G864-S866 PolarHBondContact O-N 2.87Å; G864-S866 VanDerWaalsContact O-N 3.12Å; S866-K873 WeakPolarHBondContact O-CE 3.2Å; S866-K873 PolarHBondContact O-NZ 2.93Å; S866-K873 WeakPolarHBondContact OG-CE 3.44Å | |||
| 867 | E | 31.8 | Very low | 30.3 | Very low | 129 Ų | 129 | 114.1 Ų | 114.1 | 60% | 0.603 | 60% | 0.604 | S | S | * | * | trans | -149.6 | 139.9 | 159.4 | -80.9 | -70.3 | 61 | 0 | 0 | 111.2 | K873 | E867-K873 VanDerWaalsContact CA-CE 3.46Å; E867-K873 IonicContact OE1-NZ 2.57Å; E867-K873 PolarHBondContact OE1-NZ 3.48Å | ||
| 868 | R | 31.6 | Very low | 30.2 | Very low | 188 Ų | 188 | 116.1 Ų | 116.1 | 71% | 0.709 | 61% | 0.609 | S | S | * | * | cis | -161.3 | 118.2 | -12.4 | -170.4 | -168.8 | -70.5 | -175 | 2.3 | 112.6 | K873 | R868-K873 HydrophobicContact CG-CD 4.47Š| ||
| 869 | K | 32.5 | Very low | 30.6 | Very low | 145 Ų | 145 | 113.8 Ų | 113.8 | 63% | 0.63 | 60% | 0.6 | S | S | * | * | trans | -167.3 | 174.2 | 147 | -112 | -159.9 | 169.7 | -66.2 | 0 | 114.4 | L872 | K869-L872 WeakPolarHBondContact O-CD1 3.22Š| ||
| 870 | E | 33.8 | Very low | 30.7 | Very low | 121 Ų | 121 | 115.4 Ų | 115.4 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 149.2 | -163.2 | -41.4 | 82.7 | -170.5 | 0 | 0 | 114.1 | L872 | E870-L872 HydrophobicContact CB-CD2 4.05Å; E870-L872 HydrophobicContact CG-CD2 4.08Å |
| 871 | E | 41.7 | Very low | 30.6 | Very low | 192 Ų | 192 | 115.1 Ų | 115.1 | 90% | 0.897 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -127.3 | 132 | -3.6 | -74.6 | -170.7 | 125.8 | 0 | 0 | 112.1 | ||
| 872 | L | 33.5 | Very low | 30.5 | Very low | 115 Ų | 115 | 113.8 Ų | 113.8 | 60% | 0.602 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -154.8 | 127 | -32.2 | -147.8 | 5.2 | 0 | 0 | 0 | 112 | K869 E870 | K869-L872 WeakPolarHBondContact O-CD1 3.22Å; E870-L872 HydrophobicContact CB-CD2 4.05Å; E870-L872 HydrophobicContact CG-CD2 4.08Å |
| 873 | K | 27.7 | Very low | 30.4 | Very low | 53 Ų | 53 | 117.8 Ų | 117.8 | 23% | 0.23 | 61% | 0.612 | C | S | . | * | trans | -32 | 154.9 | 165.4 | -48.1 | 160.1 | 61.7 | -112.5 | 0 | 118 | S866 E867 R868 | S866-K873 WeakPolarHBondContact O-CE 3.2Å; S866-K873 PolarHBondContact O-NZ 2.93Å; S866-K873 WeakPolarHBondContact OG-CE 3.44Å; E867-K873 VanDerWaalsContact CA-CE 3.46Å; E867-K873 IonicContact OE1-NZ 2.57Å; E867-K873 PolarHBondContact OE1-NZ 3.48Å; R868-K873 HydrophobicContact CG-CD 4.47Å | ||
| 874 | Q | 28.1 | Very low | 30.1 | Very low | 167 Ų | 167 | 117.7 Ų | 117.7 | 78% | 0.78 | 61% | 0.611 | S | S | * | * | trans | 134.8 | 153.5 | 155.9 | -80.8 | 173.1 | 20.8 | 0 | 0 | 111.1 | ||||
| 875 | N | 28.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 65% | 0.652 | 62% | 0.623 | S | S | * | * | cis | -164 | 173.6 | -18.3 | -112.7 | 14.2 | 0 | 0 | 0 | 110.3 | ||||
| 876 | T | 28 | Very low | 29.5 | Very low | 90 Ų | 90 | 126 Ų | 126 | 55% | 0.552 | 63% | 0.634 | S | S | * | * | trans | -86.8 | 160 | -178.7 | 52.8 | 0 | 0 | 0 | 0 | 115.6 | A865 | A865-T876 HydrophobicContact CB-CG2 4.27Š| ||
| 877 | N | 29.1 | Very low | 29.1 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 65% | 0.648 | S | S | * | * | 170.8 | 174.6 | 129.5 | -96.6 | -70.7 | 0 | 0 | 0 | 116.6 | |||||
| 878 | Q | 27.6 | Very low | 28.7 | Very low | 184 Ų | 184 | 126.9 Ų | 126.9 | 86% | 0.86 | 65% | 0.65 | S | S | * | * | trans | -87.7 | 172.8 | -157.3 | -63.8 | 174.6 | -34 | 0 | 0 | 119.2 | ||||
| 879 | T | 35.3 | Very low | 28.3 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | trans | -45.9 | 136 | 178.7 | -47.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 880 | V | 28.4 | Very low | 28 | Very low | 97 Ų | 97 | 118.9 Ų | 118.9 | 59% | 0.588 | 64% | 0.641 | S | S | * | * | trans | 171.5 | 124.8 | 133.4 | 150.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 881 | H | 25.3 | Very low | 27.6 | Very low | 66 Ų | 66 | 119.3 Ų | 119.3 | 31% | 0.306 | 64% | 0.638 | S | S | . | * | trans | 91.4 | 145.3 | 151.4 | -135.5 | -106.5 | 0 | 0 | 0 | 126.3 | S912 F913 | H881-S912 WeakPolarHBondContact CD2-CA 3.46Å; H881-S912 PolarHBondContact CD2-N 2.92Å; H881-S912 VanDerWaalsContact CG-C 3.43Å; H881-S912 WeakPolarHBondContact NE2-CA 3.43Å; H881-F913 PolarHBondContact CD2-N 3Å; H881-F913 PolarHBondContact CE1-N 2.69Å; H881-F913 PolarHBondContact ND1-N 2.88Å; H881-F913 PolarHBondContact ND1-O 2.8Å; H881-F913 PolarHBondContact NE2-N 2.73Å | ||
| 882 | N | 26.4 | Very low | 26.7 | Very low | 86 Ų | 86 | 113.7 Ų | 113.7 | 46% | 0.46 | 62% | 0.619 | S | S | . | * | trans | 63.6 | 139.5 | 177.5 | -61.4 | -56 | 0 | 0 | 0 | 116.3 | F913 T914 | N882-F913 PolarHBondContact ND2-O 3.1Å; N882-T914 WeakPolarHBondContact ND2-CG2 3.41Å; N882-T914 VanDerWaalsContact OD1-CG2 3.31Å; N882-T914 WeakPolarHBondContact OD1-CG2 3.19Å | ||
| 883 | I | 25.8 | Very low | 26.2 | Very low | 138 Ų | 138 | 112.9 Ų | 112.9 | 71% | 0.708 | 62% | 0.623 | S | S | * | * | cis | 74.9 | 73.1 | 31.7 | -47.5 | 176 | 0 | 0 | 0 | 114.4 | ||||
| 884 | L | 24.1 | Very low | 26 | Very low | 154 Ų | 154 | 115.2 Ų | 115.2 | 81% | 0.806 | 65% | 0.646 | S | S | * | * | -176.6 | 116.6 | 128.8 | -116.3 | 100.1 | 0 | 0 | 0 | 107.7 | |||||
| 885 | H | 24.6 | Very low | 25.7 | Very low | 164 Ų | 164 | 115.6 Ų | 115.6 | 76% | 0.759 | 65% | 0.648 | S | S | * | * | 61.6 | 126.3 | 93.2 | -95.5 | -69.8 | 0 | 0 | 0 | 117.7 | |||||
| 886 | T | 23.6 | Very low | 25.5 | Very low | 126 Ų | 126 | 115.1 Ų | 115.1 | 77% | 0.773 | 65% | 0.65 | S | S | * | * | trans | 67.4 | 142.4 | 164.7 | 60.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 887 | S | 23.3 | Very low | 25.3 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | cis | 150.3 | 125.5 | -14.2 | -88.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 888 | T | 23.8 | Very low | 25 | Very low | 104 Ų | 104 | 116.7 Ų | 116.7 | 64% | 0.638 | 66% | 0.655 | S | S | * | * | trans | 145.1 | 141.1 | 136.2 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 889 | S | 24 | Very low | 24.8 | Very low | 79 Ų | 79 | 116.1 Ų | 116.1 | 55% | 0.552 | 65% | 0.652 | S | S | * | * | trans | 67.6 | 151.5 | 155.5 | 30.3 | 0 | 0 | 0 | 0 | 117.9 | F924 | S889-F924 WeakPolarHBondContact CB-O 3.46Š| ||
| 890 | S | 25.9 | Very low | 24.3 | Very low | 86 Ų | 86 | 117.2 Ų | 117.2 | 60% | 0.601 | 66% | 0.658 | S | S | * | * | cis | -169.7 | 133.3 | -2.1 | 42.8 | 0 | 0 | 0 | 0 | 114.6 | H925 | S890-H925 WeakPolarHBondContact CA-O 3.44Å; S890-H925 WeakPolarHBondContact CB-O 3.38Å | ||
| 891 | R | 25 | Very low | 24.1 | Very low | 131 Ų | 131 | 117.7 Ų | 117.7 | 49% | 0.494 | 67% | 0.666 | S | S | . | * | trans | 66.1 | 123.6 | 133.7 | -135.2 | -157.5 | -165.7 | 149.7 | 10.4 | 123.2 | H925 | R891-H925 HydrophobicContact CG-CB 4.32Å; R891-H925 PolarHBondContact NH1-CD2 2.84Å; R891-H925 PolarHBondContact NH2-CE1 2.72Å | ||
| 892 | S | 23.3 | Very low | 24.3 | Very low | 73 Ų | 73 | 121.8 Ų | 121.8 | 51% | 0.51 | 69% | 0.689 | S | S | . | * | trans | 60.6 | 131.8 | 133.9 | 65.9 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 893 | S | 22.5 | Very low | 24.4 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | trans | 77.8 | 110.4 | 130.5 | 69.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 894 | S | 23.6 | Very low | 24.6 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | 79.2 | 138.3 | 120.9 | 67.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 895 | E | 22.6 | Very low | 25 | Very low | 175 Ų | 175 | 114.4 Ų | 114.4 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | 78.9 | 125.4 | 156.2 | -71.8 | -177.8 | 161 | 0 | 0 | 120 | ||||
| 896 | T | 23.7 | Very low | 25.6 | Very low | 111 Ų | 111 | 113.1 Ų | 113.1 | 68% | 0.681 | 64% | 0.64 | S | S | * | * | trans | 70 | 113.7 | 144.9 | 50.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 897 | D | 22.5 | Very low | 25.9 | Very low | 137 Ų | 137 | 113.9 Ų | 113.9 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | 93.4 | 132.1 | 124.9 | -55.7 | -6.2 | 0 | 0 | 0 | 121.5 | |||||
| 898 | D | 23.2 | Very low | 26.3 | Very low | 139 Ų | 139 | 113.6 Ų | 113.6 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | trans | 77.9 | 99.5 | 148.5 | -58.6 | -10.6 | 0 | 0 | 0 | 123.8 | ||||
| 899 | E | 23.3 | Very low | 26.6 | Very low | 171 Ų | 171 | 115.1 Ų | 115.1 | 80% | 0.799 | 65% | 0.647 | S | S | * | * | 85.8 | 107.1 | 121.7 | -63.7 | -159.2 | 138.6 | 0 | 0 | 124 | |||||
| 900 | V | 25.9 | Very low | 26.6 | Very low | 122 Ų | 122 | 114.6 Ų | 114.6 | 74% | 0.739 | 65% | 0.648 | S | S | * | * | 74.3 | 101.6 | 121.5 | -178.5 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 901 | S | 24.5 | Very low | 27 | Very low | 106 Ų | 106 | 115.7 Ų | 115.7 | 74% | 0.741 | 65% | 0.651 | S | S | * | * | trans | 72.6 | 112.8 | 139.3 | -55.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 902 | I | 28.9 | Very low | 27.2 | Very low | 153 Ų | 153 | 113.3 Ų | 113.3 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | trans | 68 | 163.2 | 143.8 | -129.9 | 137.1 | 0 | 0 | 0 | 118.6 | D904 | I902-D904 VanDerWaalsContact CG1-OD1 3.31Å; I902-D904 WeakPolarHBondContact CG1-OD1 3.5Å | ||
| 903 | E | 27.4 | Very low | 27.5 | Very low | 100 Ų | 100 | 117.8 Ų | 117.8 | 47% | 0.467 | 67% | 0.665 | S | S | . | * | cis | -94.2 | -140.3 | 7.3 | -65.8 | 177.4 | -107 | 0 | 0 | 115.4 | D862 N863 G864 | D862-E903 HydrophobicContact CB-CB 4.27Å; D862-E903 VanDerWaalsContact CG-CB 3.46Å; D862-E903 VanDerWaalsContact OD2-CB 3.22Å; D862-E903 WeakPolarHBondContact OD2-CB 3.44Å; N863-E903 PolarHBondContact N-OE2 3.25Å; N863-E903 VanDerWaalsContact N-OE2 3.07Å; G864-E903 WeakPolarHBondContact CA-OE1 3.19Å; G864-E903 PolarHBondContact N-OE2 2.8Å | ||
| 904 | D | 30.5 | Very low | 27.8 | Very low | 71 Ų | 71 | 117.5 Ų | 117.5 | 38% | 0.38 | 66% | 0.659 | S | S | . | * | -144.6 | -134.8 | -127.3 | -82.1 | 30.6 | 0 | 0 | 0 | 115.4 | D860 N861 D862 I902 | D860-D904 VanDerWaalsContact CA-OD2 3.29Å; D860-D904 WeakPolarHBondContact CA-OD2 3.32Å; D860-D904 HydrophobicContact CB-CB 4.02Å; N861-D904 PolarHBondContact N-OD2 3.46Å; D862-D904 HydrophobicContact CB-CB 3.65Å; D862-D904 PolarHBondContact OD2-N 3.09Å; I902-D904 VanDerWaalsContact CG1-OD1 3.31Å; I902-D904 WeakPolarHBondContact CG1-OD1 3.5Å | |||
| 905 | S | 32.5 | Very low | 28 | Very low | 51 Ų | 51 | 121.9 Ų | 121.9 | 36% | 0.357 | 67% | 0.665 | S | S | . | * | trans | -137.5 | -154.8 | 174.7 | 75.2 | 0 | 0 | 0 | 0 | 113.8 | D860 D862 | D860-S905 WeakPolarHBondContact CB-OG 3.42Å; D860-S905 PolarHBondContact OD2-OG 3.44Å; D862-S905 WeakPolarHBondContact CB-O 3.35Å; D862-S905 PolarHBondContact N-O 2.89Å | ||
| 906 | R | 38.4 | Very low | 28.2 | Very low | 137 Ų | 137 | 120.9 Ų | 120.9 | 52% | 0.517 | 67% | 0.665 | S | S | . | * | cis | -176.6 | -175.9 | 44.5 | -155.2 | 166.2 | -122.7 | -156.9 | -2.7 | 113.3 | A859 D860 | A859-R906 VanDerWaalsContact C-NH2 3.26Å; A859-R906 PolarHBondContact O-NH1 3.04Å; A859-R906 PolarHBondContact O-NH2 3.46Å; D860-R906 WeakPolarHBondContact O-CD 3.1Å; D860-R906 PolarHBondContact O-NE 2.79Å; D860-R906 IonicContact OD2-CZ 3.5Å; D860-R906 IonicContact OD2-NE 3.49Å; D860-R906 PolarHBondContact OD2-NE 3.44Å; D860-R906 IonicContact OD2-NH2 2.73Å; D860-R906 PolarHBondContact OD2-NH2 3.5Å | ||
| 907 | N | 29.3 | Very low | 28.2 | Very low | 143 Ų | 143 | 120.4 Ų | 120.4 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | trans | 79.6 | 94.9 | 156.9 | -140.9 | 0.8 | 0 | 0 | 0 | 123.3 | ||||
| 908 | S | 30.4 | Very low | 28.5 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 67% | 0.671 | S | S | * | * | trans | 78 | 172.9 | 150.2 | 81.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 909 | T | 30.8 | Very low | 28.6 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 83% | 0.828 | 68% | 0.677 | S | S | * | * | trans | -136.8 | 143.7 | -151 | 52.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 910 | A | 25.2 | Very low | 28.7 | Very low | 69 Ų | 69 | 128.1 Ų | 128.1 | 57% | 0.57 | 68% | 0.679 | S | S | * | * | trans | -177 | 178 | 158.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 911 | T | 33.5 | Very low | 28.5 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 66% | 0.663 | 68% | 0.676 | S | S | * | * | trans | -152.8 | 140.6 | -168.4 | 39.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 912 | S | 29 | Very low | 28.6 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 57% | 0.573 | 67% | 0.673 | S | S | * | * | trans | -170.7 | 135.8 | 146.6 | -163.5 | 0 | 0 | 0 | 0 | 117.7 | H881 | H881-S912 WeakPolarHBondContact CD2-CA 3.46Å; H881-S912 PolarHBondContact CD2-N 2.92Å; H881-S912 VanDerWaalsContact CG-C 3.43Å; H881-S912 WeakPolarHBondContact NE2-CA 3.43Å | ||
| 913 | F | 30.6 | Very low | 28.5 | Very low | 167 Ų | 167 | 123.1 Ų | 123.1 | 73% | 0.732 | 66% | 0.663 | S | S | * | * | trans | 79.8 | 169 | 160.9 | -102.8 | -109 | 0 | 0 | 0 | 124.3 | H881 N882 | H881-F913 PolarHBondContact CD2-N 3Å; H881-F913 PolarHBondContact CE1-N 2.69Å; H881-F913 PolarHBondContact ND1-N 2.88Å; H881-F913 PolarHBondContact ND1-O 2.8Å; H881-F913 PolarHBondContact NE2-N 2.73Å; N882-F913 PolarHBondContact ND2-O 3.1Å | ||
| 914 | T | 28.8 | Very low | 28.5 | Very low | 92 Ų | 92 | 126 Ų | 126 | 56% | 0.564 | 67% | 0.674 | S | S | * | * | trans | -147.4 | 158 | -154.5 | 92.7 | 0 | 0 | 0 | 0 | 117.4 | N882 | N882-T914 WeakPolarHBondContact ND2-CG2 3.41Å; N882-T914 VanDerWaalsContact OD1-CG2 3.31Å; N882-T914 WeakPolarHBondContact OD1-CG2 3.19Å | ||
| 915 | K | 26.4 | Very low | 28.5 | Very low | 195 Ų | 195 | 127.4 Ų | 127.4 | 85% | 0.848 | 68% | 0.679 | S | S | * | * | trans | -161.2 | 131.6 | 153.7 | -119.1 | 178.5 | -175.8 | 176.6 | 0 | 113.4 | ||||
| 916 | N | 26.7 | Very low | 28.4 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | 73.3 | -179.8 | 169.6 | -63.5 | -4.7 | 0 | 0 | 0 | 119.1 | ||||
| 917 | S | 25.4 | Very low | 28.1 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | -167.7 | 134.4 | -100 | -103.2 | 0 | 0 | 0 | 0 | 120 | |||||
| 918 | R | 27.7 | Very low | 28.3 | Very low | 220 Ų | 220 | 125.4 Ų | 125.4 | 83% | 0.83 | 68% | 0.683 | S | S | * | * | trans | 76.2 | 114.2 | 139.1 | -63.8 | 179.5 | 177.9 | -173.1 | -0.5 | 125.1 | ||||
| 919 | R | 26.2 | Very low | 28.3 | Very low | 228 Ų | 228 | 128.4 Ų | 128.4 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | trans | 75.3 | 118 | 132.9 | -68.2 | -177.4 | 167 | -172.7 | -4.3 | 123.7 | ||||
| 920 | L | 24.8 | Very low | 28.3 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 84% | 0.843 | 69% | 0.694 | S | S | * | * | 165 | 125.8 | 111.5 | -90.6 | 172.8 | 0 | 0 | 0 | 117.8 | |||||
| 921 | S | 22.5 | Very low | 28.5 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | trans | 26.4 | 121 | 146 | 61.2 | 0 | 0 | 0 | 0 | 128.1 | ||||
| 922 | S | 25.1 | Very low | 28.3 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | 84.4 | 118 | 118.4 | 70.4 | 0 | 0 | 0 | 0 | 127.1 | |||||
| 923 | S | 26.5 | Very low | 28.3 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 57% | 0.573 | 72% | 0.717 | S | S | * | * | 112 | 141.6 | 125.6 | 76 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 924 | F | 28 | Very low | 28.1 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | trans | 96 | 123.9 | 162.3 | -91.7 | -79.2 | 0 | 0 | 0 | 124 | S889 | S889-F924 WeakPolarHBondContact CB-O 3.46Š| ||
| 925 | H | 30.7 | Very low | 28.7 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 47% | 0.472 | 69% | 0.694 | S | S | . | * | trans | 57.8 | 129.4 | 156.9 | -80.3 | -49.1 | 0 | 0 | 0 | 123.6 | S890 R891 | S890-H925 WeakPolarHBondContact CA-O 3.44Å; S890-H925 WeakPolarHBondContact CB-O 3.38Å; R891-H925 HydrophobicContact CG-CB 4.32Å; R891-H925 PolarHBondContact NH1-CD2 2.84Å; R891-H925 PolarHBondContact NH2-CE1 2.72Å | ||
| 926 | G | 29.6 | Very low | 29.6 | Very low | 40 Ų | 40 | 132.1 Ų | 132.1 | 41% | 0.412 | 69% | 0.69 | S | S | . | * | trans | 135.7 | 93 | 138.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 927 | D | 32.2 | Very low | 30 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 54% | 0.54 | 66% | 0.663 | S | S | . | * | trans | 52 | 118 | 132 | -35.3 | -25 | 0 | 0 | 0 | 121.8 | ||||
| 928 | D | 34.1 | Very low | 30.2 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 79% | 0.786 | 66% | 0.661 | S | S | * | * | trans | 54.9 | 146.5 | 139.1 | -43.6 | -19.1 | 0 | 0 | 0 | 121.1 | ||||
| 929 | D | 30.8 | Very low | 30.7 | Very low | 159 Ų | 159 | 126 Ų | 126 | 85% | 0.85 | 66% | 0.656 | S | S | * | * | cis | -148.7 | 161.2 | 5.6 | -122.5 | -25.5 | 0 | 0 | 0 | 110.9 | ||||
| 930 | D | 30.5 | Very low | 30.7 | Very low | 163 Ų | 163 | 121.7 Ų | 121.7 | 87% | 0.872 | 65% | 0.646 | S | S | * | * | trans | -106.4 | 160 | -177.3 | -85.7 | -49.9 | 0 | 0 | 0 | 113.9 | ||||
| 931 | N | 29.4 | Very low | 31.7 | Very low | 142 Ų | 142 | 123.5 Ų | 123.5 | 76% | 0.759 | 64% | 0.641 | S | S | * | * | trans | -150.2 | 116.9 | 177.3 | -156.3 | 49.2 | 0 | 0 | 0 | 112.7 | ||||
| 932 | D | 29.1 | Very low | 32.7 | Very low | 145 Ų | 145 | 124.5 Ų | 124.5 | 78% | 0.775 | 64% | 0.635 | S | S | * | * | trans | 40.5 | 147.2 | 161 | -54.4 | -18.9 | 0 | 0 | 0 | 121.3 | ||||
| 933 | D | 28.5 | Very low | 33.2 | Very low | 142 Ų | 142 | 124.1 Ų | 124.1 | 76% | 0.759 | 62% | 0.623 | S | S | * | * | cis | -155.7 | -177.5 | 17 | -159.7 | 3 | 0 | 0 | 0 | 113.3 | ||||
| 934 | Y | 28.1 | Very low | 33.8 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 41% | 0.412 | 61% | 0.613 | S | S | . | * | trans | -50.3 | 172.7 | 172.7 | -83.7 | -137.1 | 0 | 0 | 0 | 116.8 | L1031 E1033 K1122 | Y934-L1031 HydrophobicContact CE1-CD2 4.15Å; Y934-E1033 PolarHBondContact OH-OE1 3.16Å; Y934-E1033 PolarHBondContact OH-OE2 2.86Å; Y934-K1122 PolarHBondContact OH-NZ 3.45Å | ||
| 935 | T | 41.3 | Very low | 34.3 | Very low | 66 Ų | 66 | 121.5 Ų | 121.5 | 41% | 0.405 | 60% | 0.604 | S | S | . | * | -156.2 | 145.3 | -54.8 | -50.7 | 0 | 0 | 0 | 0 | 107.8 | V1029 P1032 | T935-V1029 WeakPolarHBondContact CG2-O 3.32Å; T935-P1032 HydrophobicContact CG2-CG 4Å | |||
| 936 | E | 45.5 | Very low | 34.3 | Very low | 164 Ų | 164 | 120.5 Ų | 120.5 | 77% | 0.766 | 61% | 0.605 | S | S | * | * | trans | -118.7 | 145 | -179.6 | -179.6 | -175.5 | -138.9 | 0 | 0 | 114.3 | V1029 | E936-V1029 CarbonylContact C-O 2.79Å; E936-V1029 VanDerWaalsContact C-O 3.27Å; E936-V1029 VanDerWaalsContact O-CB 3.23Å; E936-V1029 WeakPolarHBondContact O-CB 2.94Å; E936-V1029 WeakPolarHBondContact O-CG1 3.38Å | ||
| 937 | R | 33.6 | Very low | 34.4 | Very low | 64 Ų | 64 | 121.3 Ų | 121.3 | 24% | 0.242 | 61% | 0.608 | C | S | . | * | trans | -94.8 | 116.9 | 169.2 | -77 | -174.9 | 145.3 | 167.3 | -11.2 | 114.8 | L1023 T1026 V1029 I1030 | R937-L1023 VanDerWaalsContact NH1-CD1 3.27Å; R937-L1023 PolarHBondContact NH2-O 2.81Å; R937-T1026 WeakPolarHBondContact CG-O 3.41Å; R937-T1026 VanDerWaalsContact NE-C 3.34Å; R937-T1026 PolarHBondContact NE-O 2.87Å; R937-T1026 PolarHBondContact NE-OG1 2.91Å; R937-V1029 HydrophobicContact CG-CB 4.37Å; R937-I1030 HydrophobicContact CG-CD1 4.25Å; R937-I1030 HydrophobicContact CG-CG1 3.6Å; R937-I1030 VanDerWaalsContact CZ-CD1 3.4Å; R937-I1030 VanDerWaalsContact NH1-CD1 3.35Å | ||
| 938 | L | 30.5 | Very low | 34.7 | Very low | 128 Ų | 128 | 123 Ų | 123 | 67% | 0.67 | 62% | 0.621 | S | S | * | * | trans | -172.1 | 142.4 | 133.6 | -99.5 | 159.5 | 0 | 0 | 0 | 113.3 | ||||
| 939 | E | 38.1 | Very low | 34.4 | Very low | 153 Ų | 153 | 123.4 Ų | 123.4 | 72% | 0.715 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 53.9 | 67.6 | 157 | -53.6 | -164.1 | 161.9 | 0 | 0 | 123.4 | ||
| 940 | Q | 25.7 | Very low | 34.2 | Very low | 138 Ų | 138 | 122.6 Ų | 122.6 | 65% | 0.645 | 62% | 0.619 | S | S | * | * | 178.9 | 151.8 | 126.6 | -105.1 | 173.7 | 90.7 | 0 | 0 | 116.6 | |||||
| 941 | R | 47 | Very low | 33.8 | Very low | 199 Ų | 199 | 123.3 Ų | 123.3 | 75% | 0.751 | 62% | 0.617 | S | S | * | * | trans | 62.4 | 117 | 149.6 | -65.4 | 168.1 | -170.7 | -114.7 | -0.2 | 123.1 | ||||
| 942 | E | 43.5 | Very low | 33.5 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 55% | 0.547 | 61% | 0.613 | S | S | . | * | trans | 50.4 | 148.8 | 144.1 | -59.4 | -169.2 | 154.3 | 0 | 0 | 124.1 | R998 | E942-R998 IonicContact OE2-CZ 3.21Å; E942-R998 IonicContact OE2-NH1 2.63Å; E942-R998 PolarHBondContact OE2-NH1 3.29Å | ||
| 943 | E | 35.5 | Very low | 33.5 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 42% | 0.421 | 61% | 0.609 | S | S | . | * | cis | -173.8 | 117.4 | -39.8 | -136.2 | -171 | -139.9 | 0 | 0 | 116.8 | K1000 | E943-K1000 PolarHBondContact O-NZ 3.18Å; E943-K1000 WeakPolarHBondContact OE2-CD 3.4Å; E943-K1000 WeakPolarHBondContact OE2-CE 3.39Å; E943-K1000 IonicContact OE2-NZ 3.11Å; E943-K1000 PolarHBondContact OE2-NZ 2.78Å | ||
| 944 | D | 38.6 | Very low | 33.3 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 38% | 0.38 | 62% | 0.618 | S | S | . | * | trans | 84.7 | 108.3 | 139.8 | -92.7 | 14.6 | 0 | 0 | 0 | 128.7 | ||||
| 945 | K | 37.6 | Very low | 33.2 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 50% | 0.504 | 63% | 0.627 | S | S | . | * | 75.8 | 104.1 | 121.7 | -67.6 | -177.9 | -178.5 | 78.1 | 0 | 126.9 | L1037 Q1038 | K945-L1037 VanDerWaalsContact N-CB 3.33Å; K945-Q1038 PolarHBondContact O-OE1 3.02Å | |||
| 946 | T | 31.5 | Very low | 32.5 | Very low | 81 Ų | 81 | 127.8 Ų | 127.8 | 50% | 0.497 | 64% | 0.638 | S | S | . | * | 40.9 | 139.9 | 121.7 | 58 | 0 | 0 | 0 | 0 | 124.3 | L1037 Q1038 | T946-L1037 HydrophobicContact CG2-CB 4.36Å; T946-L1037 HydrophobicContact CG2-CD2 4.36Å; T946-L1037 PolarHBondContact N-O 3.23Å; T946-Q1038 PolarHBondContact O-OE1 3.22Å | |||
| 947 | A | 32.3 | Very low | 31.7 | Very low | 56 Ų | 56 | 124.6 Ų | 124.6 | 46% | 0.463 | 63% | 0.63 | S | S | . | * | trans | -89.7 | 160.6 | -162.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 948 | V | 36.9 | Very low | 31.5 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 82% | 0.824 | 65% | 0.654 | S | S | * | * | trans | 65.6 | 112.5 | 158.5 | -176.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 949 | N | 28 | Very low | 31.2 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 83% | 0.834 | 66% | 0.663 | S | S | * | * | trans | -151.4 | 161.2 | 130.5 | -155.2 | -8.4 | 0 | 0 | 0 | 110.5 | ||||
| 950 | N | 26.8 | Very low | 30.8 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 76% | 0.759 | 67% | 0.672 | S | S | * | * | trans | -91.6 | 139.6 | -175 | -76.8 | -53.8 | 0 | 0 | 0 | 113.8 | ||||
| 951 | Q | 22.3 | Very low | 31.6 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 83% | 0.832 | 67% | 0.673 | S | S | * | * | trans | -177.5 | 144.8 | 130.4 | -104.2 | 168.5 | 26 | 0 | 0 | 113.2 | ||||
| 952 | N | 23.9 | Very low | 30.8 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | trans | 64.1 | 153.1 | 163.6 | -66.9 | 24.3 | 0 | 0 | 0 | 117.1 | ||||
| 953 | E | 27.6 | Very low | 29.9 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | cis | -153.7 | 155.8 | 3 | -130.8 | 160.1 | -117.8 | 0 | 0 | 111.8 | V955 | E953-V955 HydrophobicContact CB-CG2 4.26Å; E953-V955 HydrophobicContact CG-CG2 3.86Å | ||
| 954 | Q | 26.1 | Very low | 29.4 | Very low | 200 Ų | 200 | 134.7 Ų | 134.7 | 94% | 0.935 | 69% | 0.694 | S | S | * | * | trans | -112 | 105.4 | 166.2 | -81.4 | -171.2 | -17.1 | 0 | 0 | 110 | ||||
| 955 | V | 25.6 | Very low | 28.7 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 61% | 0.612 | 71% | 0.705 | S | S | * | * | trans | -143.8 | 102.5 | -175.4 | -178.5 | 0 | 0 | 0 | 0 | 114.1 | E953 | E953-V955 HydrophobicContact CB-CG2 4.26Å; E953-V955 HydrophobicContact CG-CG2 3.86Å | ||
| 956 | N | 25.1 | Very low | 28 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | 67 | 155.7 | 135.2 | -99.7 | -40.4 | 0 | 0 | 0 | 126.1 | ||||
| 957 | V | 30.5 | Very low | 27.6 | Very low | 97 Ų | 97 | 140 Ų | 140 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | trans | 75.3 | 131.9 | 154.6 | 169.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 958 | S | 27.7 | Very low | 27.2 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -113.8 | 166 | 171.8 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 959 | L | 25.7 | Very low | 26.6 | Very low | 163 Ų | 163 | 142 Ų | 142 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 68.6 | 147.6 | -171.2 | -67.5 | 170.6 | 0 | 0 | 0 | 115.9 | ||
| 960 | R | 28.7 | Very low | 26.5 | Very low | 242 Ų | 242 | 142.1 Ų | 142.1 | 91% | 0.913 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -93.8 | 116.6 | -160.2 | 179.5 | -171 | -167.9 | 170.4 | 4.6 | 111.5 | ||
| 961 | A | 42 | Very low | 26.3 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 66% | 0.661 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 64.5 | 132.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 962 | N | 31.5 | Very low | 26.5 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | trans | 66.8 | 153.4 | -154.7 | -45.3 | -77.4 | 0 | 0 | 0 | 111.6 | ||||
| 963 | Y | 24.9 | Very low | 26.5 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 70% | 0.702 | 72% | 0.719 | S | S | * | * | cis | -167 | 133.6 | -35.6 | -125.3 | -77 | 0 | 0 | 0 | 107.5 | ||||
| 964 | R | 23.5 | Very low | 26.4 | Very low | 196 Ų | 196 | 136 Ų | 136 | 74% | 0.74 | 72% | 0.715 | S | S | * | * | trans | 63.2 | 139.8 | 158.1 | -83.2 | 164.2 | 179.1 | 159.7 | -1.3 | 122.4 | ||||
| 965 | N | 24.2 | Very low | 26.4 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | trans | 72.6 | 123.9 | 136.7 | -68.8 | 26.2 | 0 | 0 | 0 | 124.3 | ||||
| 966 | N | 23.2 | Very low | 26.5 | Very low | 113 Ų | 113 | 134 Ų | 134 | 60% | 0.604 | 71% | 0.708 | S | S | * | * | 75.6 | 128.5 | 128.7 | -62.1 | 15.4 | 0 | 0 | 0 | 123.9 | |||||
| 967 | N | 24.2 | Very low | 26.6 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | trans | 75.7 | 175.4 | 139.2 | -69.1 | 24 | 0 | 0 | 0 | 120.7 | ||||
| 968 | S | 23.4 | Very low | 26.4 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | trans | -107.6 | 179.3 | -150.5 | 48.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 969 | D | 24.8 | Very low | 26.1 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | 99.6 | 121.6 | 151.1 | -57.8 | -57.3 | 0 | 0 | 0 | 120.9 | ||||
| 970 | N | 24.5 | Very low | 26.1 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 84% | 0.84 | 71% | 0.708 | S | S | * | * | trans | 77.5 | 177.1 | 144.7 | -121.8 | -44.7 | 0 | 0 | 0 | 121.2 | ||||
| 971 | S | 23 | Very low | 25.9 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 62% | 0.615 | 70% | 0.698 | S | S | * | * | trans | -113.9 | 178.8 | -139.5 | 54.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 972 | N | 25.4 | Very low | 25.1 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | 86.4 | 99.3 | 159.5 | -81.7 | -51.5 | 0 | 0 | 0 | 122.5 | ||||
| 973 | N | 25.2 | Very low | 24.7 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | 83.5 | 137.5 | 109.7 | -128.7 | -18.6 | 0 | 0 | 0 | 123.9 | |||||
| 974 | N | 25.9 | Very low | 24.7 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 61% | 0.61 | 71% | 0.708 | S | S | * | * | trans | 76.5 | 106.8 | 152.1 | -75.4 | -45 | 0 | 0 | 0 | 125 | ||||
| 975 | N | 26.1 | Very low | 24.7 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 69% | 0.69 | 71% | 0.713 | S | S | * | * | 57.4 | 118.4 | 122.2 | -66 | -30.5 | 0 | 0 | 0 | 123.1 | |||||
| 976 | N | 26.9 | Very low | 24.6 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | 174.9 | 140.9 | 88.7 | -104 | -58.6 | 0 | 0 | 0 | 116.2 | |||||
| 977 | N | 27.4 | Very low | 24.7 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | 38 | 141 | 136.6 | -82.6 | -60.1 | 0 | 0 | 0 | 121.8 | ||||
| 978 | S | 25.3 | Very low | 24.6 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | cis | -177.3 | 160.2 | 13.5 | -134.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 979 | C | 22.8 | Very low | 24.4 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | trans | 62.6 | 111.7 | 142 | -72.9 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 980 | R | 25.3 | Very low | 24.4 | Very low | 209 Ų | 209 | 135.7 Ų | 135.7 | 79% | 0.789 | 72% | 0.719 | S | S | * | * | 78.9 | 116.9 | 116.6 | -72.2 | 179.2 | 167.6 | -179.9 | -0.6 | 122.3 | |||||
| 981 | K | 24.3 | Very low | 24.4 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 70% | 0.704 | 72% | 0.719 | S | S | * | * | 116.5 | 140.5 | 102.6 | -104.2 | -171.8 | 174.7 | -169.6 | 0 | 119.5 | |||||
| 982 | L | 25 | Very low | 24.5 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | trans | 70.6 | 154.1 | 153.8 | -62.3 | 163.4 | 0 | 0 | 0 | 117.3 | ||||
| 983 | R | 22.6 | Very low | 24.4 | Very low | 217 Ų | 217 | 136.3 Ų | 136.3 | 82% | 0.819 | 72% | 0.721 | S | S | * | * | cis | -172.5 | 149.3 | -39.9 | -142.8 | -172.9 | -171.4 | -179.2 | 0.5 | 108 | ||||
| 984 | S | 25.3 | Very low | 24.3 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | trans | 70 | 157.4 | 153.1 | 89.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 985 | R | 23.3 | Very low | 24.3 | Very low | 224 Ų | 224 | 136.2 Ų | 136.2 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | cis | -163.3 | 154.9 | -15.3 | -131.9 | -179 | 175.4 | 174.2 | -4.7 | 111.7 | ||||
| 986 | S | 22.4 | Very low | 24.2 | Very low | 91 Ų | 91 | 140 Ų | 140 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | 67.4 | 155.8 | 140.7 | 62.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 987 | T | 26.1 | Very low | 24.1 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 80% | 0.798 | 74% | 0.736 | S | S | * | * | trans | 69.6 | 138.9 | 164.1 | 55.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 988 | S | 21.5 | Very low | 24.1 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | cis | -174.9 | 142.3 | -27.7 | 43 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 989 | C | 20.3 | Very low | 24.5 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | trans | 72.1 | 163.8 | 151.7 | -147.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 990 | H | 24.2 | Very low | 24.7 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | trans | 75.3 | 109.5 | 166.9 | -64.4 | -72.2 | 0 | 0 | 0 | 121.8 | ||||
| 991 | Y | 24.9 | Very low | 24.9 | Very low | 210 Ų | 210 | 139.7 Ų | 139.7 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | 75.1 | 109.8 | 126.4 | -87.2 | -122.7 | 0 | 0 | 0 | 121.8 | |||||
| 992 | A | 23.5 | Very low | 25.4 | Very low | 80 Ų | 80 | 137.9 Ų | 137.9 | 66% | 0.661 | 74% | 0.738 | S | S | * | * | 86 | 151.7 | 110.8 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 993 | S | 23.4 | Very low | 25.4 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | 62.8 | 94.7 | 151.7 | 53.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 994 | S | 23.1 | Very low | 25.5 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | 11.7 | 129.4 | 118.7 | 45.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 995 | N | 26 | Very low | 25.9 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | 162.2 | 163.7 | 118.6 | -85.6 | -38.5 | 0 | 0 | 0 | 110.9 | |||||
| 996 | R | 23.6 | Very low | 26 | Very low | 210 Ų | 210 | 125.9 Ų | 125.9 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | cis | -177.4 | 154.6 | -42.8 | -140.6 | -177.6 | -178.4 | -170.5 | 1.6 | 105.8 | ||||
| 997 | T | 26.1 | Very low | 26.6 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | 61.7 | 166 | 159.8 | 55.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 998 | R | 27.1 | Very low | 26.7 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 53% | 0.528 | 73% | 0.731 | S | S | . | * | cis | -177 | 150.5 | -42.8 | -157.1 | 175.3 | -161.6 | 169.6 | 6.2 | 106.4 | E942 | E942-R998 IonicContact OE2-CZ 3.21Å; E942-R998 IonicContact OE2-NH1 2.63Å; E942-R998 PolarHBondContact OE2-NH1 3.29Å | ||
| 999 | N | 33 | Very low | 27 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | trans | 177.1 | 155.8 | 146.1 | -93.4 | -20.4 | 0 | 0 | 0 | 113.5 | ||||
| 1000 | K | 28.8 | Very low | 27.3 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 49% | 0.491 | 73% | 0.732 | S | S | . | * | trans | -126.8 | 172.9 | -176.7 | -59.8 | 179.7 | 178.4 | 179.9 | 0 | 111.5 | E943 | E943-K1000 PolarHBondContact O-NZ 3.18Å; E943-K1000 WeakPolarHBondContact OE2-CD 3.4Å; E943-K1000 WeakPolarHBondContact OE2-CE 3.39Å; E943-K1000 IonicContact OE2-NZ 3.11Å; E943-K1000 PolarHBondContact OE2-NZ 2.78Å | ||
| 1001 | S | 28.9 | Very low | 27.5 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | trans | 164.2 | 159.9 | 134.3 | 51.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 1002 | S | 33.5 | Very low | 27.9 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | trans | 96.4 | 145.2 | 157.4 | 78.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1003 | A | 25.5 | Very low | 28.6 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | -168.2 | -178.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1004 | S | 26 | Very low | 29.3 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | trans | 156.3 | 159.3 | 134.3 | 52.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1005 | K | 32.3 | Very low | 30.2 | Very low | 192 Ų | 192 | 132.7 Ų | 132.7 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | trans | 84.4 | 156.9 | 175.1 | -55.3 | 121.7 | -165.5 | 142.6 | 0 | 116 | ||||
| 1006 | G | 26 | Very low | 30.8 | Very low | 55 Ų | 55 | 130.6 Ų | 130.6 | 57% | 0.567 | 71% | 0.707 | S | S | * | * | cis | 117.1 | 144 | 3.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1007 | P | 35.8 | Very low | 31.7 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | cis | -95.3 | 156.1 | 13.3 | 37.2 | -34 | 0 | 0 | 0 | 115.2 | ||||
| 1008 | F | 28 | Very low | 32.3 | Very low | 187 Ų | 187 | 122.8 Ų | 122.8 | 82% | 0.82 | 68% | 0.677 | S | S | * | * | cis | 84.6 | 139.7 | 39.4 | -64.9 | -37.6 | 0 | 0 | 0 | 113.7 | ||||
| 1009 | I | 26.5 | Very low | 33.1 | Very low | 154 Ų | 154 | 119.7 Ų | 119.7 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | cis | -161.2 | 166.8 | -9.3 | -144 | 169.3 | 0 | 0 | 0 | 106.3 | ||||
| 1010 | S | 26.6 | Very low | 33.4 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | cis | -153.7 | 179.9 | 12.6 | 57 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1011 | K | 29.3 | Very low | 34.2 | Very low | 195 Ų | 195 | 115.3 Ų | 115.3 | 85% | 0.848 | 66% | 0.661 | S | S | * | * | cis | -134.3 | 128.4 | 13.5 | -58.4 | 171.5 | -177.4 | 172.1 | 0 | 110.9 | ||||
| 1012 | L | 33.1 | Very low | 34.9 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 60% | 0.597 | 65% | 0.653 | S | S | * | * | trans | -110.6 | 141 | 144.5 | -86.5 | 158.2 | 0 | 0 | 0 | 105.7 | E1016 | L1012-E1016 HydrophobicContact CD2-CB 3.68Š| ||
| 1013 | T | 38 | Very low | 35.3 | Very low | 74 Ų | 74 | 115.4 Ų | 115.4 | 45% | 0.454 | 64% | 0.635 | S | S | . | * | trans | -68.3 | 157.6 | 169.8 | 65 | 0 | 0 | 0 | 0 | 110.1 | N1015 E1016 F1017 | T1013-N1015 PolarHBondContact O-N 3.45Å; T1013-E1016 WeakPolarHBondContact CA-OE2 3.4Å; T1013-E1016 WeakPolarHBondContact CB-OE2 3.47Å; T1013-E1016 VanDerWaalsContact CG2-OE2 3.27Å; T1013-E1016 WeakPolarHBondContact CG2-OE2 3.48Å; T1013-E1016 PolarHBondContact N-OE2 3.21Å; T1013-E1016 PolarHBondContact O-N 2.7Å; T1013-E1016 VanDerWaalsContact O-N 3.14Å; T1013-E1016 VanDerWaalsContact OG1-CG 3.29Å; T1013-E1016 WeakPolarHBondContact OG1-CG 3.5Å; T1013-E1016 PolarHBondContact OG1-N 3.36Å; T1013-E1016 VanDerWaalsContact OG1-N 3.11Å; T1013-E1016 PolarHBondContact OG1-OE2 2.83Å; T1013-F1017 PolarHBondContact O-N 3.48Å | ||
| 1014 | L | 38.5 | Very low | 36.3 | Very low | 154 Ų | 154 | 113.9 Ų | 113.9 | 81% | 0.806 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62 | -26.5 | 177.3 | -142.2 | 148.2 | 0 | 0 | 0 | 111.4 | A1018 | L1014-A1018 VanDerWaalsContact O-CB 3.26Å; L1014-A1018 WeakPolarHBondContact O-CB 3.5Å; L1014-A1018 PolarHBondContact O-N 3.03Å |
| 1015 | N | 41.3 | Very low | 37 | Very low | 125 Ų | 125 | 113.1 Ų | 113.1 | 67% | 0.668 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.3 | -45.1 | 172.4 | -70.5 | -1.6 | 0 | 0 | 0 | 112.6 | T1013 F1017 A1018 S1019 | T1013-N1015 PolarHBondContact O-N 3.45Å; N1015-F1017 VanDerWaalsContact C-N 3.34Å; N1015-F1017 PolarHBondContact O-N 2.92Å; N1015-A1018 PolarHBondContact O-N 2.6Å; N1015-S1019 WeakPolarHBondContact O-CB 3.45Å; N1015-S1019 PolarHBondContact O-N 3.22Å; N1015-S1019 PolarHBondContact O-OG 3.41Å |
| 1016 | E | 39.7 | Very low | 37.7 | Very low | 100 Ų | 100 | 104.6 Ų | 104.6 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.1 | -37.9 | 178.5 | -69.4 | 152.8 | 145.6 | 0 | 0 | 111.5 | L1012 T1013 S1019 L1020 | L1012-E1016 HydrophobicContact CD2-CB 3.68Å; T1013-E1016 WeakPolarHBondContact CA-OE2 3.4Å; T1013-E1016 WeakPolarHBondContact CB-OE2 3.47Å; T1013-E1016 VanDerWaalsContact CG2-OE2 3.27Å; T1013-E1016 WeakPolarHBondContact CG2-OE2 3.48Å; T1013-E1016 PolarHBondContact N-OE2 3.21Å; T1013-E1016 PolarHBondContact O-N 2.7Å; T1013-E1016 VanDerWaalsContact O-N 3.14Å; T1013-E1016 VanDerWaalsContact OG1-CG 3.29Å; T1013-E1016 WeakPolarHBondContact OG1-CG 3.5Å; T1013-E1016 PolarHBondContact OG1-N 3.36Å; T1013-E1016 VanDerWaalsContact OG1-N 3.11Å; T1013-E1016 PolarHBondContact OG1-OE2 2.83Å; E1016-S1019 PolarHBondContact O-N 2.75Å; E1016-L1020 WeakPolarHBondContact O-CB 3.39Å; E1016-L1020 PolarHBondContact O-N 3.04Å |
| 1017 | F | 41.4 | Very low | 38.5 | Very low | 124 Ų | 124 | 105.1 Ų | 105.1 | 54% | 0.544 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.7 | -40.1 | 172.6 | -170 | -104 | 0 | 0 | 0 | 112 | T1013 N1015 L1020 V1021 | T1013-F1017 PolarHBondContact O-N 3.48Å; N1015-F1017 VanDerWaalsContact C-N 3.34Å; N1015-F1017 PolarHBondContact O-N 2.92Å; F1017-L1020 PolarHBondContact O-N 2.9Å; F1017-V1021 HydrophobicContact CD1-CG2 4.37Å; F1017-V1021 HydrophobicContact CE1-CG2 4.08Å; F1017-V1021 HydrophobicContact CZ-CG2 4.28Å; F1017-V1021 WeakPolarHBondContact O-CG2 3.35Å; F1017-V1021 PolarHBondContact O-N 3.32Å |
| 1018 | A | 39.3 | Very low | 38.4 | Very low | 49 Ų | 49 | 101.7 Ų | 101.7 | 41% | 0.405 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1014 N1015 V1021 K1022 | L1014-A1018 VanDerWaalsContact O-CB 3.26Å; L1014-A1018 WeakPolarHBondContact O-CB 3.5Å; L1014-A1018 PolarHBondContact O-N 3.03Å; N1015-A1018 PolarHBondContact O-N 2.6Å; A1018-V1021 PolarHBondContact O-N 3.34Å; A1018-K1022 PolarHBondContact O-N 3.1Å |
| 1019 | S | 42.9 | Very low | 39 | Very low | 76 Ų | 76 | 94.7 Ų | 94.7 | 53% | 0.531 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 173.1 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | N1015 E1016 V1021 K1022 L1023 | N1015-S1019 WeakPolarHBondContact O-CB 3.45Å; N1015-S1019 PolarHBondContact O-N 3.22Å; N1015-S1019 PolarHBondContact O-OG 3.41Å; E1016-S1019 PolarHBondContact O-N 2.75Å; S1019-V1021 VanDerWaalsContact C-N 3.31Å; S1019-V1021 PolarHBondContact O-N 2.92Å; S1019-K1022 PolarHBondContact O-N 2.85Å; S1019-L1023 WeakPolarHBondContact O-CB 3.26Å; S1019-L1023 PolarHBondContact O-N 2.69Å |
| 1020 | L | 40.3 | Very low | 39.6 | Very low | 105 Ų | 105 | 91.2 Ų | 91.2 | 55% | 0.55 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 176.4 | -157.5 | 81.9 | 0 | 0 | 0 | 111.5 | E1016 F1017 L1023 A1024 | E1016-L1020 WeakPolarHBondContact O-CB 3.39Å; E1016-L1020 PolarHBondContact O-N 3.04Å; F1017-L1020 PolarHBondContact O-N 2.9Å; L1020-L1023 PolarHBondContact O-N 3.2Å; L1020-A1024 WeakPolarHBondContact O-CB 3.45Å; L1020-A1024 PolarHBondContact O-N 2.83Å |
| 1021 | V | 45.2 | Very low | 40.3 | Very low | 80 Ų | 80 | 88.5 Ų | 88.5 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | F1017 A1018 S1019 L1023 A1024 S1025 | F1017-V1021 HydrophobicContact CD1-CG2 4.37Å; F1017-V1021 HydrophobicContact CE1-CG2 4.08Å; F1017-V1021 HydrophobicContact CZ-CG2 4.28Å; F1017-V1021 WeakPolarHBondContact O-CG2 3.35Å; F1017-V1021 PolarHBondContact O-N 3.32Å; A1018-V1021 PolarHBondContact O-N 3.34Å; S1019-V1021 VanDerWaalsContact C-N 3.31Å; S1019-V1021 PolarHBondContact O-N 2.92Å; V1021-L1023 VanDerWaalsContact C-N 3.33Å; V1021-L1023 PolarHBondContact O-N 2.73Å; V1021-A1024 PolarHBondContact O-N 3.31Å; V1021-S1025 WeakPolarHBondContact O-CB 3.31Å; V1021-S1025 PolarHBondContact O-N 3.17Å; V1021-S1025 PolarHBondContact O-OG 2.95Å |
| 1022 | K | 43.9 | Very low | 41 | Very low | 148 Ų | 148 | 82.7 Ų | 82.7 | 64% | 0.643 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -59.4 | -41.8 | 170.9 | -94.9 | -167.4 | 168.8 | -167.2 | 0 | 112.2 | A1018 S1019 S1025 T1026 | A1018-K1022 PolarHBondContact O-N 3.1Å; S1019-K1022 PolarHBondContact O-N 2.85Å; K1022-S1025 WeakPolarHBondContact CA-OG 3.28Å; K1022-S1025 PolarHBondContact O-N 3.29Å; K1022-S1025 PolarHBondContact O-OG 3.48Å; K1022-T1026 PolarHBondContact O-N 2.89Å; K1022-T1026 PolarHBondContact O-OG1 2.92Å |
| 1023 | L | 42.2 | Very low | 41.4 | Very low | 93 Ų | 93 | 81 Ų | 81 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 178.7 | -150.6 | 77.8 | 0 | 0 | 0 | 111.9 | R937 S1019 L1020 V1021 T1026 L1027 | R937-L1023 VanDerWaalsContact NH1-CD1 3.27Å; R937-L1023 PolarHBondContact NH2-O 2.81Å; S1019-L1023 WeakPolarHBondContact O-CB 3.26Å; S1019-L1023 PolarHBondContact O-N 2.69Å; L1020-L1023 PolarHBondContact O-N 3.2Å; V1021-L1023 VanDerWaalsContact C-N 3.33Å; V1021-L1023 PolarHBondContact O-N 2.73Å; L1023-T1026 PolarHBondContact O-N 2.73Å; L1023-T1026 PolarHBondContact O-OG1 2.98Å; L1023-T1026 VanDerWaalsContact O-OG1 3.11Å; L1023-L1027 PolarHBondContact O-N 3.44Å |
| 1024 | A | 47.2 | Very low | 41.8 | Very low | 64 Ų | 64 | 78.9 Ų | 78.9 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1020 V1021 T1026 L1027 | L1020-A1024 WeakPolarHBondContact O-CB 3.45Å; L1020-A1024 PolarHBondContact O-N 2.83Å; V1021-A1024 PolarHBondContact O-N 3.31Å; A1024-T1026 PolarHBondContact O-N 2.79Å; A1024-L1027 PolarHBondContact O-N 2.89Å |
| 1025 | S | 40.1 | Very low | 42.2 | Very low | 74 Ų | 74 | 78 Ų | 78 | 52% | 0.517 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -1.1 | 177.9 | 65.7 | 0 | 0 | 0 | 0 | 115.3 | V1021 K1022 | V1021-S1025 WeakPolarHBondContact O-CB 3.31Å; V1021-S1025 PolarHBondContact O-N 3.17Å; V1021-S1025 PolarHBondContact O-OG 2.95Å; K1022-S1025 WeakPolarHBondContact CA-OG 3.28Å; K1022-S1025 PolarHBondContact O-N 3.29Å; K1022-S1025 PolarHBondContact O-OG 3.48Å |
| 1026 | T | 46.1 | Very low | 42.4 | Very low | 13 Ų | 13 | 74.2 Ų | 74.2 | 8% | 0.08 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | 5.3 | -178.5 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | R937 K1022 L1023 A1024 V1029 | R937-T1026 WeakPolarHBondContact CG-O 3.41Å; R937-T1026 VanDerWaalsContact NE-C 3.34Å; R937-T1026 PolarHBondContact NE-O 2.87Å; R937-T1026 PolarHBondContact NE-OG1 2.91Å; K1022-T1026 PolarHBondContact O-N 2.89Å; K1022-T1026 PolarHBondContact O-OG1 2.92Å; L1023-T1026 PolarHBondContact O-N 2.73Å; L1023-T1026 PolarHBondContact O-OG1 2.98Å; L1023-T1026 VanDerWaalsContact O-OG1 3.11Å; A1024-T1026 PolarHBondContact O-N 2.79Å; T1026-V1029 PolarHBondContact O-N 3.5Å |
| 1027 | L | 43 | Very low | 42.7 | Very low | 66 Ų | 66 | 72.8 Ų | 72.8 | 35% | 0.346 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -65.6 | -33.3 | 179.6 | -134.1 | 141.4 | 0 | 0 | 0 | 115.1 | L1023 A1024 V1029 I1030 | L1023-L1027 PolarHBondContact O-N 3.44Å; A1024-L1027 PolarHBondContact O-N 2.89Å; L1027-V1029 PolarHBondContact O-N 2.78Å; L1027-I1030 PolarHBondContact O-N 3.44Å |
| 1028 | P | 34.8 | Very low | 43.2 | Very low | 47 Ų | 47 | 69.3 Ų | 69.3 | 31% | 0.305 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -62.7 | -1.5 | 171.7 | -24.6 | 35.7 | 0 | 0 | 0 | 115.9 | ||
| 1029 | V | 39.9 | Very low | 43.9 | Very low | 40 Ų | 40 | 69.9 Ų | 69.9 | 24% | 0.242 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -125.3 | 20.6 | -176.8 | -117.2 | 0 | 0 | 0 | 0 | 113.1 | T935 E936 R937 T1026 L1027 | T935-V1029 WeakPolarHBondContact CG2-O 3.32Å; E936-V1029 CarbonylContact C-O 2.79Å; E936-V1029 VanDerWaalsContact C-O 3.27Å; E936-V1029 VanDerWaalsContact O-CB 3.23Å; E936-V1029 WeakPolarHBondContact O-CB 2.94Å; E936-V1029 WeakPolarHBondContact O-CG1 3.38Å; R937-V1029 HydrophobicContact CG-CB 4.37Å; T1026-V1029 PolarHBondContact O-N 3.5Å; L1027-V1029 PolarHBondContact O-N 2.78Å |
| 1030 | I | 39.6 | Very low | 44.2 | Very low | 80 Ų | 80 | 67.2 Ų | 67.2 | 41% | 0.41 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -43.6 | 154.7 | -64.5 | -176 | 0 | 0 | 0 | 110.1 | R937 L1027 P1032 | R937-I1030 HydrophobicContact CG-CD1 4.25Å; R937-I1030 HydrophobicContact CG-CG1 3.6Å; R937-I1030 VanDerWaalsContact CZ-CD1 3.4Å; R937-I1030 VanDerWaalsContact NH1-CD1 3.35Å; L1027-I1030 PolarHBondContact O-N 3.44Å; I1030-P1032 WeakPolarHBondContact O-CD 3.46Å |
| 1031 | L | 41.5 | Very low | 44.7 | Very low | 38 Ų | 38 | 63.2 Ų | 63.2 | 20% | 0.199 | 34% | 0.342 | C | S | . | . | trans | -121.2 | 78.7 | -179.8 | -61.6 | 177.4 | 0 | 0 | 0 | 109.8 | Y934 E1033 Y1034 L1040 | Y934-L1031 HydrophobicContact CE1-CD2 4.15Å; L1031-E1033 PolarHBondContact O-N 3.07Å; L1031-Y1034 HydrophobicContact CB-CD2 3.93Å; L1031-Y1034 HydrophobicContact CB-CE2 4.33Å; L1031-Y1034 PolarHBondContact O-N 3.28Å; L1031-L1040 HydrophobicContact CD1-CD1 4.27Å; L1031-L1040 HydrophobicContact CD1-CD2 4.42Å | ||
| 1032 | P | 42.7 | Very low | 45.4 | Very low | 72 Ų | 72 | 62.6 Ų | 62.6 | 47% | 0.468 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -13.5 | -173.2 | 29.9 | -35 | 0 | 0 | 0 | 113.2 | T935 I1030 Y1034 | T935-P1032 HydrophobicContact CG2-CG 4Å; I1030-P1032 WeakPolarHBondContact O-CD 3.46Å; P1032-Y1034 PolarHBondContact O-N 2.87Å |
| 1033 | E | 41.5 | Very low | 45.9 | Very low | 79 Ų | 79 | 56.7 Ų | 56.7 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.2 | 173.9 | -64.6 | 178.7 | 164.6 | 0 | 0 | 113.5 | Y934 L1031 K1122 | Y934-E1033 PolarHBondContact OH-OE1 3.16Å; Y934-E1033 PolarHBondContact OH-OE2 2.86Å; L1031-E1033 PolarHBondContact O-N 3.07Å; E1033-K1122 IonicContact OE1-NZ 3.97Å; E1033-K1122 PolarHBondContact OE1-NZ 2.94Å; E1033-K1122 IonicContact OE2-NZ 2.74Å; E1033-K1122 PolarHBondContact OE2-NZ 3.03Å |
| 1034 | Y | 46.9 | Very low | 46.5 | Very low | 30 Ų | 30 | 54.8 Ų | 54.8 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | trans | -115.3 | 109.8 | -174.1 | -46.6 | -73.2 | 0 | 0 | 0 | 110.5 | L1031 P1032 D1036 E1039 L1040 H1043 | L1031-Y1034 HydrophobicContact CB-CD2 3.93Å; L1031-Y1034 HydrophobicContact CB-CE2 4.33Å; L1031-Y1034 PolarHBondContact O-N 3.28Å; P1032-Y1034 PolarHBondContact O-N 2.87Å; Y1034-D1036 PolarHBondContact O-N 3.03Å; Y1034-D1036 VanDerWaalsContact O-N 3.16Å; Y1034-E1039 HydrophobicContact CD1-CG 4.39Å; Y1034-L1040 HydrophobicContact CD2-CD1 3.81Å; Y1034-L1040 HydrophobicContact CE2-CD1 4.2Å; Y1034-L1040 HydrophobicContact CG-CB 4.07Å; Y1034-L1040 HydrophobicContact CG-CD1 4.09Å; Y1034-H1043 HydrophobicContact CD1-CB 4.04Å; Y1034-H1043 HydrophobicContact CE1-CB 3.69Å; Y1034-H1043 AromaticContact CE1-CE1 4Å; Y1034-H1043 AromaticContact CE1-CG 3.6Å; Y1034-H1043 AromaticContact CE1-ND1 3.12Å; Y1034-H1043 WeakPolarHBondContact CE1-ND1 3.48Å; Y1034-H1043 AromaticContact CZ-CE1 3.8Å; Y1034-H1043 AromaticContact CZ-ND1 3.16Å; Y1034-H1043 PolarHBondContact OH-CE1 2.91Å; Y1034-H1043 PolarHBondContact OH-ND1 2.82Å | ||
| 1035 | K | 47.1 | Very low | 47 | Very low | 134 Ų | 134 | 55.8 Ų | 55.8 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -65.1 | -21.8 | -173.1 | -62.5 | 160.1 | -151.6 | 71.1 | 0 | 112.6 | E1039 | K1035-E1039 WeakPolarHBondContact CB-OE2 3.37Å; K1035-E1039 WeakPolarHBondContact CD-OE2 3.47Å; K1035-E1039 VanDerWaalsContact CG-OE2 3.28Å; K1035-E1039 WeakPolarHBondContact CG-OE2 3.14Å; K1035-E1039 PolarHBondContact N-OE2 2.93Å; K1035-E1039 IonicContact NZ-OE1 2.73Å; K1035-E1039 PolarHBondContact NZ-OE1 2.83Å; K1035-E1039 IonicContact NZ-OE2 3.9Å; K1035-E1039 PolarHBondContact NZ-OE2 2.67Å |
| 1036 | D | 46.2 | Very low | 47.8 | Very low | 47 Ų | 47 | 58.3 Ų | 58.3 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -157.4 | 172.7 | 175.6 | 61.7 | 55.4 | 0 | 0 | 0 | 112.4 | Y1034 Q1038 E1039 L1040 | Y1034-D1036 PolarHBondContact O-N 3.03Å; Y1034-D1036 VanDerWaalsContact O-N 3.16Å; D1036-Q1038 PolarHBondContact O-N 3.49Å; D1036-Q1038 VanDerWaalsContact OD1-CA 3.27Å; D1036-Q1038 WeakPolarHBondContact OD1-CA 3.25Å; D1036-Q1038 VanDerWaalsContact OD1-CB 3.23Å; D1036-Q1038 WeakPolarHBondContact OD1-CB 3.37Å; D1036-Q1038 PolarHBondContact OD1-N 2.88Å; D1036-E1039 PolarHBondContact O-N 3.06Å; D1036-E1039 PolarHBondContact OD1-N 2.93Å; D1036-L1040 PolarHBondContact O-N 3.19Å; D1036-L1040 VanDerWaalsContact O-N 3.08Å |
| 1037 | L | 45.8 | Very low | 48.3 | Very low | 70 Ų | 70 | 58.7 Ų | 58.7 | 37% | 0.366 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73 | -4.9 | 179 | -104.3 | 163.4 | 0 | 0 | 0 | 113.6 | K945 T946 L1040 A1041 | K945-L1037 VanDerWaalsContact N-CB 3.33Å; T946-L1037 HydrophobicContact CG2-CB 4.36Å; T946-L1037 HydrophobicContact CG2-CD2 4.36Å; T946-L1037 PolarHBondContact N-O 3.23Å; L1037-L1040 HydrophobicContact CD2-CD2 4.23Å; L1037-A1041 VanDerWaalsContact O-CB 3.26Å; L1037-A1041 WeakPolarHBondContact O-CB 3.43Å; L1037-A1041 PolarHBondContact O-N 2.96Å |
| 1038 | Q | 51.5 | Low | 48.7 | Very low | 51 Ų | 51 | 60.9 Ų | 60.9 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -85.5 | -43.8 | 164.8 | -173.7 | 66.7 | 63.3 | 0 | 0 | 109.5 | K945 T946 D1036 L1040 A1041 D1042 | K945-Q1038 PolarHBondContact O-OE1 3.02Å; T946-Q1038 PolarHBondContact O-OE1 3.22Å; D1036-Q1038 PolarHBondContact O-N 3.49Å; D1036-Q1038 VanDerWaalsContact OD1-CA 3.27Å; D1036-Q1038 WeakPolarHBondContact OD1-CA 3.25Å; D1036-Q1038 VanDerWaalsContact OD1-CB 3.23Å; D1036-Q1038 WeakPolarHBondContact OD1-CB 3.37Å; D1036-Q1038 PolarHBondContact OD1-N 2.88Å; Q1038-L1040 VanDerWaalsContact C-N 3.27Å; Q1038-L1040 PolarHBondContact O-N 3.46Å; Q1038-A1041 CarbonylContact O-C 3.51Å; Q1038-A1041 PolarHBondContact O-N 3.42Å; Q1038-A1041 VanDerWaalsContact O-N 3.08Å; Q1038-D1042 PolarHBondContact NE2-OD1 3.45Å; Q1038-D1042 VanDerWaalsContact O-CB 3.26Å; Q1038-D1042 WeakPolarHBondContact O-CB 3.34Å; Q1038-D1042 PolarHBondContact O-N 3.47Å |
| 1039 | E | 54.2 | Low | 49.7 | Very low | 61 Ų | 61 | 61 Ų | 61 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.4 | -35.3 | 177.3 | -160.3 | 170.9 | -134 | 0 | 0 | 111.5 | Y1034 K1035 D1036 H1043 | Y1034-E1039 HydrophobicContact CD1-CG 4.39Å; K1035-E1039 WeakPolarHBondContact CB-OE2 3.37Å; K1035-E1039 WeakPolarHBondContact CD-OE2 3.47Å; K1035-E1039 VanDerWaalsContact CG-OE2 3.28Å; K1035-E1039 WeakPolarHBondContact CG-OE2 3.14Å; K1035-E1039 PolarHBondContact N-OE2 2.93Å; K1035-E1039 IonicContact NZ-OE1 2.73Å; K1035-E1039 PolarHBondContact NZ-OE1 2.83Å; K1035-E1039 IonicContact NZ-OE2 3.9Å; K1035-E1039 PolarHBondContact NZ-OE2 2.67Å; D1036-E1039 PolarHBondContact O-N 3.06Å; D1036-E1039 PolarHBondContact OD1-N 2.93Å; E1039-H1043 VanDerWaalsContact O-CB 3.25Å; E1039-H1043 WeakPolarHBondContact O-CB 3.32Å; E1039-H1043 PolarHBondContact O-N 3.42Å |
| 1040 | L | 48.6 | Very low | 50.2 | Low | 20 Ų | 20 | 63.4 Ų | 63.4 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 169.8 | -179.6 | 60.4 | 0 | 0 | 0 | 112.9 | L1031 Y1034 D1036 L1037 Q1038 H1043 I1044 | L1031-L1040 HydrophobicContact CD1-CD1 4.27Å; L1031-L1040 HydrophobicContact CD1-CD2 4.42Å; Y1034-L1040 HydrophobicContact CD2-CD1 3.81Å; Y1034-L1040 HydrophobicContact CE2-CD1 4.2Å; Y1034-L1040 HydrophobicContact CG-CB 4.07Å; Y1034-L1040 HydrophobicContact CG-CD1 4.09Å; D1036-L1040 PolarHBondContact O-N 3.19Å; D1036-L1040 VanDerWaalsContact O-N 3.08Å; L1037-L1040 HydrophobicContact CD2-CD2 4.23Å; Q1038-L1040 VanDerWaalsContact C-N 3.27Å; Q1038-L1040 PolarHBondContact O-N 3.46Å; L1040-H1043 PolarHBondContact O-N 3.2Å; L1040-I1044 HydrophobicContact CD1-CD1 3.99Å; L1040-I1044 HydrophobicContact CD1-CG1 4.29Å; L1040-I1044 HydrophobicContact CG-CD1 4Å; L1040-I1044 WeakPolarHBondContact O-CB 3.11Å; L1040-I1044 VanDerWaalsContact O-CG1 3.31Å; L1040-I1044 WeakPolarHBondContact O-CG1 3.1Å; L1040-I1044 PolarHBondContact O-N 2.99Å |
| 1041 | A | 50.2 | Low | 50.7 | Low | 20 Ų | 20 | 61.1 Ų | 61.1 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.7 | -36.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1037 Q1038 I1044 T1045 | L1037-A1041 VanDerWaalsContact O-CB 3.26Å; L1037-A1041 WeakPolarHBondContact O-CB 3.43Å; L1037-A1041 PolarHBondContact O-N 2.96Å; Q1038-A1041 CarbonylContact O-C 3.51Å; Q1038-A1041 PolarHBondContact O-N 3.42Å; Q1038-A1041 VanDerWaalsContact O-N 3.08Å; A1041-I1044 PolarHBondContact O-N 3.33Å; A1041-T1045 VanDerWaalsContact O-CB 3.26Å; A1041-T1045 WeakPolarHBondContact O-CB 3.44Å; A1041-T1045 PolarHBondContact O-N 3.02Å; A1041-T1045 PolarHBondContact O-OG1 3.01Å |
| 1042 | D | 60.4 | Low | 51.2 | Low | 68 Ų | 68 | 66.8 Ų | 66.8 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 171.6 | -77 | -4.7 | 0 | 0 | 0 | 110.2 | Q1038 T1045 R1046 | Q1038-D1042 PolarHBondContact NE2-OD1 3.45Å; Q1038-D1042 VanDerWaalsContact O-CB 3.26Å; Q1038-D1042 WeakPolarHBondContact O-CB 3.34Å; Q1038-D1042 PolarHBondContact O-N 3.47Å; D1042-T1045 PolarHBondContact O-N 2.93Å; D1042-R1046 WeakPolarHBondContact O-CB 3.19Å; D1042-R1046 PolarHBondContact O-N 2.86Å |
| 1043 | H | 55.4 | Low | 51.5 | Low | 24 Ų | 24 | 66.9 Ų | 66.9 | 11% | 0.111 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 172 | -176.1 | -147 | 0 | 0 | 0 | 111.3 | Y1034 E1039 L1040 T1045 R1046 W1047 | Y1034-H1043 HydrophobicContact CD1-CB 4.04Å; Y1034-H1043 HydrophobicContact CE1-CB 3.69Å; Y1034-H1043 AromaticContact CE1-CE1 4Å; Y1034-H1043 AromaticContact CE1-CG 3.6Å; Y1034-H1043 AromaticContact CE1-ND1 3.12Å; Y1034-H1043 WeakPolarHBondContact CE1-ND1 3.48Å; Y1034-H1043 AromaticContact CZ-CE1 3.8Å; Y1034-H1043 AromaticContact CZ-ND1 3.16Å; Y1034-H1043 PolarHBondContact OH-CE1 2.91Å; Y1034-H1043 PolarHBondContact OH-ND1 2.82Å; E1039-H1043 VanDerWaalsContact O-CB 3.25Å; E1039-H1043 WeakPolarHBondContact O-CB 3.32Å; E1039-H1043 PolarHBondContact O-N 3.42Å; L1040-H1043 PolarHBondContact O-N 3.2Å; H1043-T1045 PolarHBondContact O-N 2.95Å; H1043-R1046 PolarHBondContact O-N 2.91Å; H1043-W1047 WeakPolarHBondContact O-CA 3.25Å; H1043-W1047 WeakPolarHBondContact O-CB 3.19Å; H1043-W1047 PolarHBondContact O-N 3.29Å |
| 1044 | I | 53.1 | Low | 51.7 | Low | 52 Ų | 52 | 66.4 Ų | 66.4 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.6 | -32.9 | 175.4 | -70.7 | 166.6 | 0 | 0 | 0 | 111.6 | L1040 A1041 R1048 Y1126 | L1040-I1044 HydrophobicContact CD1-CD1 3.99Å; L1040-I1044 HydrophobicContact CD1-CG1 4.29Å; L1040-I1044 HydrophobicContact CG-CD1 4Å; L1040-I1044 WeakPolarHBondContact O-CB 3.11Å; L1040-I1044 VanDerWaalsContact O-CG1 3.31Å; L1040-I1044 WeakPolarHBondContact O-CG1 3.1Å; L1040-I1044 PolarHBondContact O-N 2.99Å; A1041-I1044 PolarHBondContact O-N 3.33Å; I1044-R1048 WeakPolarHBondContact O-CB 3.22Å; I1044-R1048 VanDerWaalsContact O-CG 3.26Å; I1044-R1048 WeakPolarHBondContact O-CG 3.4Å; I1044-R1048 PolarHBondContact O-N 3.35Å; I1044-Y1126 HydrophobicContact CD1-CE1 3.89Å; I1044-Y1126 HydrophobicContact CG1-CE1 3.82Å |
| 1045 | T | 58.3 | Low | 51.5 | Low | 86 Ų | 86 | 68.9 Ų | 68.9 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -76 | -39.1 | 176.7 | -58.9 | 0 | 0 | 0 | 0 | 112 | A1041 D1042 H1043 R1048 S1049 | A1041-T1045 VanDerWaalsContact O-CB 3.26Å; A1041-T1045 WeakPolarHBondContact O-CB 3.44Å; A1041-T1045 PolarHBondContact O-N 3.02Å; A1041-T1045 PolarHBondContact O-OG1 3.01Å; D1042-T1045 PolarHBondContact O-N 2.93Å; H1043-T1045 PolarHBondContact O-N 2.95Å; T1045-R1048 CarbonylContact O-C 3.56Å; T1045-R1048 WeakPolarHBondContact O-CB 3.16Å; T1045-R1048 PolarHBondContact O-N 3.09Å; T1045-S1049 PolarHBondContact O-N 3.03Å |
| 1046 | R | 57.7 | Low | 51.6 | Low | 126 Ų | 126 | 64.8 Ų | 64.8 | 48% | 0.475 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.8 | -44.3 | 176.6 | -158.8 | -169.6 | -54.4 | 122.5 | 9.8 | 110.4 | D1042 H1043 R1048 S1049 E1050 | D1042-R1046 WeakPolarHBondContact O-CB 3.19Å; D1042-R1046 PolarHBondContact O-N 2.86Å; H1043-R1046 PolarHBondContact O-N 2.91Å; R1046-R1048 VanDerWaalsContact C-N 3.34Å; R1046-R1048 PolarHBondContact O-N 3.38Å; R1046-S1049 CarbonylContact O-C 3.43Å; R1046-S1049 VanDerWaalsContact O-CA 3.31Å; R1046-S1049 WeakPolarHBondContact O-CA 3.47Å; R1046-S1049 VanDerWaalsContact O-CB 3.27Å; R1046-S1049 WeakPolarHBondContact O-CB 3.48Å; R1046-S1049 PolarHBondContact O-N 3.13Å; R1046-E1050 VanDerWaalsContact CD-OE1 3.31Å; R1046-E1050 WeakPolarHBondContact CD-OE1 3.27Å; R1046-E1050 VanDerWaalsContact CG-OE1 3.28Å; R1046-E1050 WeakPolarHBondContact CG-OE1 3.49Å; R1046-E1050 WeakPolarHBondContact O-CB 3.36Å; R1046-E1050 VanDerWaalsContact O-CG 3.32Å; R1046-E1050 WeakPolarHBondContact O-CG 3.35Å; R1046-E1050 PolarHBondContact O-N 2.83Å |
| 1047 | W | 55.6 | Low | 51.3 | Low | 22 Ų | 22 | 67 Ų | 67 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 167.2 | 179.9 | 91.6 | 0 | 0 | 0 | 111.7 | H1043 S1049 E1050 V1051 S1119 V1123 Y1126 | H1043-W1047 WeakPolarHBondContact O-CA 3.25Å; H1043-W1047 WeakPolarHBondContact O-CB 3.19Å; H1043-W1047 PolarHBondContact O-N 3.29Å; W1047-S1049 VanDerWaalsContact C-N 3.26Å; W1047-S1049 PolarHBondContact O-N 3.38Å; W1047-E1050 PolarHBondContact O-N 3.45Å; W1047-V1051 HydrophobicContact CD2-CG2 3.87Å; W1047-V1051 HydrophobicContact CG-CG2 4.07Å; W1047-V1051 HydrophobicContact CZ2-CG2 4.12Å; W1047-V1051 WeakPolarHBondContact O-CA 3.49Å; W1047-V1051 WeakPolarHBondContact O-CB 3.33Å; W1047-V1051 VanDerWaalsContact O-CG2 3.3Å; W1047-V1051 WeakPolarHBondContact O-CG2 3.47Å; W1047-V1051 PolarHBondContact O-N 2.74Å; W1047-S1119 PolarHBondContact NE1-O 3.13Å; W1047-S1119 VanDerWaalsContact NE1-O 3.09Å; W1047-V1123 HydrophobicContact CH2-CG2 4.22Å; W1047-V1123 HydrophobicContact CZ2-CG2 3.64Å; W1047-Y1126 HydrophobicContact CD2-CD2 4.35Å; W1047-Y1126 AromaticContact CD2-CE2 3.86Å; W1047-Y1126 HydrophobicContact CD2-CE2 3.86Å; W1047-Y1126 AromaticContact CE2-CE2 3.71Å; W1047-Y1126 HydrophobicContact CE3-CD2 4.23Å; W1047-Y1126 HydrophobicContact CE3-CE2 4.03Å; W1047-Y1126 HydrophobicContact CG-CE2 4.47Å; W1047-Y1126 AromaticContact CH2-CD2 3.49Å; W1047-Y1126 HydrophobicContact CH2-CD2 3.49Å; W1047-Y1126 VanDerWaalsContact CH2-CD2 3.49Å; W1047-Y1126 HydrophobicContact CH2-CE2 4.01Å; W1047-Y1126 AromaticContact CZ2-CD2 3.58Å; W1047-Y1126 HydrophobicContact CZ2-CD2 3.58Å; W1047-Y1126 AromaticContact CZ2-CE2 3.79Å; W1047-Y1126 HydrophobicContact CZ2-CE2 3.79Å; W1047-Y1126 AromaticContact CZ3-CD2 3.83Å; W1047-Y1126 HydrophobicContact CZ3-CD2 3.83Å; W1047-Y1126 HydrophobicContact CZ3-CE2 4.11Å |
| 1048 | R | 51.6 | Low | 51 | Low | 111 Ų | 111 | 67.7 Ų | 67.7 | 42% | 0.419 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.3 | -23.8 | 169.4 | -88.3 | 175.3 | 152.2 | -171.1 | -9.5 | 113.4 | I1044 T1045 R1046 R1052 E1139 | I1044-R1048 WeakPolarHBondContact O-CB 3.22Å; I1044-R1048 VanDerWaalsContact O-CG 3.26Å; I1044-R1048 WeakPolarHBondContact O-CG 3.4Å; I1044-R1048 PolarHBondContact O-N 3.35Å; T1045-R1048 CarbonylContact O-C 3.56Å; T1045-R1048 WeakPolarHBondContact O-CB 3.16Å; T1045-R1048 PolarHBondContact O-N 3.09Å; R1046-R1048 VanDerWaalsContact C-N 3.34Å; R1046-R1048 PolarHBondContact O-N 3.38Å; R1048-R1052 WeakPolarHBondContact O-CB 3.16Å; R1048-R1052 PolarHBondContact O-N 2.85Å; R1048-E1139 IonicContact NH2-OE2 3.69Å |
| 1049 | S | 56.4 | Low | 50.4 | Low | 49 Ų | 49 | 72 Ų | 72 | 34% | 0.343 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -79.3 | -54.9 | 167.2 | -156.5 | 0 | 0 | 0 | 0 | 110.2 | T1045 R1046 W1047 V1051 R1052 D1053 | T1045-S1049 PolarHBondContact O-N 3.03Å; R1046-S1049 CarbonylContact O-C 3.43Å; R1046-S1049 VanDerWaalsContact O-CA 3.31Å; R1046-S1049 WeakPolarHBondContact O-CA 3.47Å; R1046-S1049 VanDerWaalsContact O-CB 3.27Å; R1046-S1049 WeakPolarHBondContact O-CB 3.48Å; R1046-S1049 PolarHBondContact O-N 3.13Å; W1047-S1049 VanDerWaalsContact C-N 3.26Å; W1047-S1049 PolarHBondContact O-N 3.38Å; S1049-V1051 PolarHBondContact O-N 3.08Å; S1049-R1052 CarbonylContact O-C 3.59Å; S1049-R1052 WeakPolarHBondContact O-CA 3.47Å; S1049-R1052 WeakPolarHBondContact O-CB 3.42Å; S1049-R1052 PolarHBondContact O-N 2.83Å; S1049-D1053 VanDerWaalsContact O-CB 3.28Å; S1049-D1053 WeakPolarHBondContact O-CB 3.35Å; S1049-D1053 VanDerWaalsContact O-CG 3.22Å; S1049-D1053 PolarHBondContact O-N 3.18Å; S1049-D1053 PolarHBondContact OG-OD2 3.09Å |
| 1050 | E | 50.5 | Low | 49.5 | Very low | 91 Ų | 91 | 76.4 Ų | 76.4 | 43% | 0.425 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | -177.1 | -69.9 | 160.1 | -179.1 | 0 | 0 | 112.7 | R1046 W1047 D1053 L1054 | R1046-E1050 VanDerWaalsContact CD-OE1 3.31Å; R1046-E1050 WeakPolarHBondContact CD-OE1 3.27Å; R1046-E1050 VanDerWaalsContact CG-OE1 3.28Å; R1046-E1050 WeakPolarHBondContact CG-OE1 3.49Å; R1046-E1050 WeakPolarHBondContact O-CB 3.36Å; R1046-E1050 VanDerWaalsContact O-CG 3.32Å; R1046-E1050 WeakPolarHBondContact O-CG 3.35Å; R1046-E1050 PolarHBondContact O-N 2.83Å; W1047-E1050 PolarHBondContact O-N 3.45Å; E1050-D1053 CarbonylContact O-C 3.35Å; E1050-D1053 PolarHBondContact O-N 2.74Å; E1050-L1054 VanDerWaalsContact O-CB 3.23Å; E1050-L1054 WeakPolarHBondContact O-CB 3.47Å; E1050-L1054 PolarHBondContact O-N 2.71Å |
| 1051 | V | 48.8 | Very low | 48.5 | Very low | 33 Ų | 33 | 82.3 Ų | 82.3 | 20% | 0.2 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -73.6 | -35.5 | 172.2 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | W1047 S1049 D1053 L1055 | W1047-V1051 HydrophobicContact CD2-CG2 3.87Å; W1047-V1051 HydrophobicContact CG-CG2 4.07Å; W1047-V1051 HydrophobicContact CZ2-CG2 4.12Å; W1047-V1051 WeakPolarHBondContact O-CA 3.49Å; W1047-V1051 WeakPolarHBondContact O-CB 3.33Å; W1047-V1051 VanDerWaalsContact O-CG2 3.3Å; W1047-V1051 WeakPolarHBondContact O-CG2 3.47Å; W1047-V1051 PolarHBondContact O-N 2.74Å; S1049-V1051 PolarHBondContact O-N 3.08Å; V1051-D1053 VanDerWaalsContact C-N 3.32Å; V1051-L1055 HydrophobicContact CG1-CD1 3.89Å; V1051-L1055 HydrophobicContact CG1-CG 4.27Å; V1051-L1055 VanDerWaalsContact O-CB 3.23Å; V1051-L1055 WeakPolarHBondContact O-CB 3.18Å; V1051-L1055 WeakPolarHBondContact O-CG 3.19Å; V1051-L1055 PolarHBondContact O-N 2.82Å |
| 1052 | R | 51.8 | Low | 47.4 | Very low | 157 Ų | 157 | 86.3 Ų | 86.3 | 59% | 0.592 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 170.6 | 179 | -173.6 | -62.7 | 145.1 | 0.4 | 110.7 | R1048 S1049 V1056 | R1048-R1052 WeakPolarHBondContact O-CB 3.16Å; R1048-R1052 PolarHBondContact O-N 2.85Å; S1049-R1052 CarbonylContact O-C 3.59Å; S1049-R1052 WeakPolarHBondContact O-CA 3.47Å; S1049-R1052 WeakPolarHBondContact O-CB 3.42Å; S1049-R1052 PolarHBondContact O-N 2.83Å; R1052-V1056 HydrophobicContact CG-CG2 4.34Å; R1052-V1056 WeakPolarHBondContact O-CA 3.44Å; R1052-V1056 WeakPolarHBondContact O-CB 3.42Å; R1052-V1056 WeakPolarHBondContact O-CG2 3.32Å; R1052-V1056 PolarHBondContact O-N 2.94Å |
| 1053 | D | 50.9 | Low | 45.7 | Very low | 73 Ų | 73 | 88.5 Ų | 88.5 | 39% | 0.39 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -76.4 | -31 | -179.3 | -69.2 | -44.3 | 0 | 0 | 0 | 110.6 | S1049 E1050 V1051 N1057 | S1049-D1053 VanDerWaalsContact O-CB 3.28Å; S1049-D1053 WeakPolarHBondContact O-CB 3.35Å; S1049-D1053 VanDerWaalsContact O-CG 3.22Å; S1049-D1053 PolarHBondContact O-N 3.18Å; S1049-D1053 PolarHBondContact OG-OD2 3.09Å; E1050-D1053 CarbonylContact O-C 3.35Å; E1050-D1053 PolarHBondContact O-N 2.74Å; V1051-D1053 VanDerWaalsContact C-N 3.32Å; D1053-N1057 WeakPolarHBondContact O-CA 3.42Å; D1053-N1057 WeakPolarHBondContact O-CB 3.33Å; D1053-N1057 PolarHBondContact O-N 3.41Å; D1053-N1057 PolarHBondContact O-ND2 3.1Å |
| 1054 | L | 44.6 | Very low | 44.3 | Very low | 70 Ų | 70 | 93.6 Ų | 93.6 | 37% | 0.366 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.4 | -51.3 | 166.9 | -107 | 156.2 | 0 | 0 | 0 | 110.7 | E1050 V1056 N1057 L1058 V1116 | E1050-L1054 VanDerWaalsContact O-CB 3.23Å; E1050-L1054 WeakPolarHBondContact O-CB 3.47Å; E1050-L1054 PolarHBondContact O-N 2.71Å; L1054-V1056 PolarHBondContact O-N 2.96Å; L1054-N1057 CarbonylContact O-C 2.93Å; L1054-N1057 PolarHBondContact O-N 2.81Å; L1054-N1057 VanDerWaalsContact O-N 3.15Å; L1054-L1058 HydrophobicContact CD2-CD1 4.2Å; L1054-L1058 HydrophobicContact CD2-CG 4.49Å; L1054-L1058 VanDerWaalsContact O-CB 3.26Å; L1054-L1058 WeakPolarHBondContact O-CB 3.34Å; L1054-L1058 WeakPolarHBondContact O-CD1 3.2Å; L1054-L1058 WeakPolarHBondContact O-CG 3.37Å; L1054-L1058 PolarHBondContact O-N 3.39Å; L1054-V1116 HydrophobicContact CD1-CG1 3.79Å; L1054-V1116 HydrophobicContact CD1-CG2 4.13Å |
| 1055 | L | 43.7 | Very low | 43 | Very low | 82 Ų | 82 | 95.1 Ų | 95.1 | 43% | 0.429 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.7 | -34.1 | 175.5 | -71.3 | 170.1 | 0 | 0 | 0 | 111.5 | V1051 N1059 | V1051-L1055 HydrophobicContact CG1-CD1 3.89Å; V1051-L1055 HydrophobicContact CG1-CG 4.27Å; V1051-L1055 VanDerWaalsContact O-CB 3.23Å; V1051-L1055 WeakPolarHBondContact O-CB 3.18Å; V1051-L1055 WeakPolarHBondContact O-CG 3.19Å; V1051-L1055 PolarHBondContact O-N 2.82Å; L1055-N1059 WeakPolarHBondContact O-CB 3.38Å; L1055-N1059 VanDerWaalsContact O-CG 3.31Å; L1055-N1059 PolarHBondContact O-N 3.38Å; L1055-N1059 PolarHBondContact O-ND2 3.05Å |
| 1056 | V | 47.7 | Very low | 41.4 | Very low | 48 Ų | 48 | 96.8 Ų | 96.8 | 29% | 0.291 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -76.1 | -33.2 | 174.9 | 163.2 | 0 | 0 | 0 | 0 | 111.7 | R1052 L1054 N1059 K1060 | R1052-V1056 HydrophobicContact CG-CG2 4.34Å; R1052-V1056 WeakPolarHBondContact O-CA 3.44Å; R1052-V1056 WeakPolarHBondContact O-CB 3.42Å; R1052-V1056 WeakPolarHBondContact O-CG2 3.32Å; R1052-V1056 PolarHBondContact O-N 2.94Å; L1054-V1056 PolarHBondContact O-N 2.96Å; V1056-N1059 CarbonylContact O-C 3.59Å; V1056-K1060 HydrophobicContact CG1-CD 3.7Å; V1056-K1060 VanDerWaalsContact CG1-CE 3.43Å; V1056-K1060 HydrophobicContact CG1-CG 4.45Å; V1056-K1060 WeakPolarHBondContact O-CB 3.35Å; V1056-K1060 WeakPolarHBondContact O-CD 3.33Å; V1056-K1060 WeakPolarHBondContact O-CG 3.47Å; V1056-K1060 PolarHBondContact O-N 3.05Å |
| 1057 | N | 41.3 | Very low | 40 | Very low | 92 Ų | 92 | 95.4 Ų | 95.4 | 49% | 0.492 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -78.1 | -31.8 | 175.6 | -76 | -37.8 | 0 | 0 | 0 | 112.3 | D1053 L1054 K1060 K1061 | D1053-N1057 WeakPolarHBondContact O-CA 3.42Å; D1053-N1057 WeakPolarHBondContact O-CB 3.33Å; D1053-N1057 PolarHBondContact O-N 3.41Å; D1053-N1057 PolarHBondContact O-ND2 3.1Å; L1054-N1057 CarbonylContact O-C 2.93Å; L1054-N1057 PolarHBondContact O-N 2.81Å; L1054-N1057 VanDerWaalsContact O-N 3.15Å; N1057-K1060 CarbonylContact O-C 3.54Å; N1057-K1060 PolarHBondContact O-N 3.23Å; N1057-K1061 WeakPolarHBondContact O-CB 3.38Å; N1057-K1061 PolarHBondContact O-N 3.38Å |
| 1058 | L | 37.9 | Very low | 38.7 | Very low | 85 Ų | 85 | 97.6 Ų | 97.6 | 45% | 0.445 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 168 | -70.4 | 164.4 | 0 | 0 | 0 | 110.1 | L1054 K1060 K1061 F1063 | L1054-L1058 HydrophobicContact CD2-CD1 4.2Å; L1054-L1058 HydrophobicContact CD2-CG 4.49Å; L1054-L1058 VanDerWaalsContact O-CB 3.26Å; L1054-L1058 WeakPolarHBondContact O-CB 3.34Å; L1054-L1058 WeakPolarHBondContact O-CD1 3.2Å; L1054-L1058 WeakPolarHBondContact O-CG 3.37Å; L1054-L1058 PolarHBondContact O-N 3.39Å; L1058-K1060 PolarHBondContact O-N 2.7Å; L1058-K1061 PolarHBondContact O-N 2.64Å; L1058-K1061 VanDerWaalsContact O-O 3.06Å; L1058-F1063 HydrophobicContact CD2-CD2 4.1Å; L1058-F1063 HydrophobicContact CD2-CE2 3.85Å |
| 1059 | N | 40.4 | Very low | 37.3 | Very low | 143 Ų | 143 | 96.1 Ų | 96.1 | 77% | 0.765 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -10 | 171.4 | -77.6 | -58 | 0 | 0 | 0 | 114.2 | L1055 V1056 | L1055-N1059 WeakPolarHBondContact O-CB 3.38Å; L1055-N1059 VanDerWaalsContact O-CG 3.31Å; L1055-N1059 PolarHBondContact O-N 3.38Å; L1055-N1059 PolarHBondContact O-ND2 3.05Å; V1056-N1059 CarbonylContact O-C 3.59Å |
| 1060 | K | 34.9 | Very low | 35.8 | Very low | 153 Ų | 153 | 97.5 Ų | 97.5 | 67% | 0.665 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 0.8 | 174.6 | -75.1 | 170.7 | -179.2 | 168.5 | 0 | 113.9 | V1056 N1057 L1058 | V1056-K1060 HydrophobicContact CG1-CD 3.7Å; V1056-K1060 VanDerWaalsContact CG1-CE 3.43Å; V1056-K1060 HydrophobicContact CG1-CG 4.45Å; V1056-K1060 WeakPolarHBondContact O-CB 3.35Å; V1056-K1060 WeakPolarHBondContact O-CD 3.33Å; V1056-K1060 WeakPolarHBondContact O-CG 3.47Å; V1056-K1060 PolarHBondContact O-N 3.05Å; N1057-K1060 CarbonylContact O-C 3.54Å; N1057-K1060 PolarHBondContact O-N 3.23Å; L1058-K1060 PolarHBondContact O-N 2.7Å |
| 1061 | K | 26.8 | Very low | 34.5 | Very low | 143 Ų | 143 | 100.3 Ų | 100.3 | 62% | 0.622 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -136.6 | 108.5 | 174.5 | -72.5 | -171.5 | 176.4 | -179.2 | 0 | 110.5 | N1057 L1058 F1063 | N1057-K1061 WeakPolarHBondContact O-CB 3.38Å; N1057-K1061 PolarHBondContact O-N 3.38Å; L1058-K1061 PolarHBondContact O-N 2.64Å; L1058-K1061 VanDerWaalsContact O-O 3.06Å; K1061-F1063 PolarHBondContact O-N 2.67Å |
| 1062 | P | 27.4 | Very low | 33.4 | Very low | 104 Ų | 104 | 104.2 Ų | 104.2 | 68% | 0.675 | 55% | 0.55 | S | S | * | . | trans | -68.6 | 109 | 176.8 | 28.2 | -33.2 | 0 | 0 | 0 | 110.2 | L1064 | P1062-L1064 PolarHBondContact O-N 3.39Š| ||
| 1063 | F | 24.8 | Very low | 32 | Very low | 115 Ų | 115 | 102.8 Ų | 102.8 | 50% | 0.504 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -74.3 | 52.4 | 171.6 | -88.8 | -94.1 | 0 | 0 | 0 | 112 | L1058 K1061 I1109 | L1058-F1063 HydrophobicContact CD2-CD2 4.1Å; L1058-F1063 HydrophobicContact CD2-CE2 3.85Å; K1061-F1063 PolarHBondContact O-N 2.67Å; F1063-I1109 HydrophobicContact CD1-CD1 4.25Å; F1063-I1109 HydrophobicContact CD1-CG1 4.21Å; F1063-I1109 HydrophobicContact CE1-CG1 4.37Å |
| 1064 | L | 25.6 | Very low | 30.8 | Very low | 131 Ų | 131 | 105.7 Ų | 105.7 | 69% | 0.686 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -169.8 | 58.6 | 161 | -110.8 | 174.6 | 0 | 0 | 0 | 111.5 | P1062 | P1062-L1064 PolarHBondContact O-N 3.39Š|
| 1065 | N | 26.7 | Very low | 29.7 | Very low | 84 Ų | 84 | 109.6 Ų | 109.6 | 45% | 0.449 | 60% | 0.595 | S | S | . | * | trans | -146.6 | 77.3 | 158.5 | -148.3 | -44.5 | 0 | 0 | 0 | 113.6 | N1067 | N1065-N1067 VanDerWaalsContact C-N 3.29Å; N1065-N1067 PolarHBondContact O-N 3.32Å; N1065-N1067 VanDerWaalsContact O-N 3.15Å | ||
| 1066 | N | 24.9 | Very low | 28.7 | Very low | 120 Ų | 120 | 110.7 Ų | 110.7 | 64% | 0.642 | 61% | 0.605 | S | S | * | * | trans | -83.2 | 74.7 | 167.7 | -140.1 | -10.2 | 0 | 0 | 0 | 109 | ||||
| 1067 | N | 28.6 | Very low | 27.6 | Very low | 98 Ų | 98 | 115.7 Ų | 115.7 | 52% | 0.524 | 63% | 0.63 | S | S | . | * | trans | -173.4 | 112.9 | 144 | -94 | -32.9 | 0 | 0 | 0 | 113.2 | N1065 | N1065-N1067 VanDerWaalsContact C-N 3.29Å; N1065-N1067 PolarHBondContact O-N 3.32Å; N1065-N1067 VanDerWaalsContact O-N 3.15Å | ||
| 1068 | N | 27.4 | Very low | 26.7 | Very low | 68 Ų | 68 | 118.3 Ų | 118.3 | 36% | 0.364 | 64% | 0.644 | S | S | . | * | trans | 48.9 | 149.1 | 136 | -42.3 | -39.7 | 0 | 0 | 0 | 120.2 | ||||
| 1069 | N | 22.7 | Very low | 26 | Very low | 80 Ų | 80 | 121.2 Ų | 121.2 | 43% | 0.428 | 66% | 0.66 | S | S | . | * | cis | -130.3 | 175.4 | 15.3 | -71.4 | -67.7 | 0 | 0 | 0 | 111.7 | N1386 | N1069-N1386 PolarHBondContact ND2-OD1 3.43Š| ||
| 1070 | G | 23.8 | Very low | 25.3 | Very low | 77 Ų | 77 | 119.3 Ų | 119.3 | 79% | 0.794 | 66% | 0.657 | S | S | * | * | trans | 117.8 | 103.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1071 | N | 24.7 | Very low | 24.8 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 81% | 0.807 | 66% | 0.66 | S | S | * | * | trans | -52.1 | 168.8 | 157.2 | -91 | 46.9 | 0 | 0 | 0 | 113.1 | ||||
| 1072 | D | 24.5 | Very low | 24.7 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 62% | 0.615 | 67% | 0.665 | S | S | * | * | cis | -169.8 | 161.5 | 40.8 | -138.2 | 10.9 | 0 | 0 | 0 | 115.1 | ||||
| 1073 | N | 22.7 | Very low | 24.5 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 68% | 0.679 | 67% | 0.665 | S | S | * | * | trans | 55.5 | 128.9 | 154.5 | -54.9 | -48.6 | 0 | 0 | 0 | 124 | ||||
| 1074 | V | 25.6 | Very low | 24.5 | Very low | 134 Ų | 134 | 117.7 Ų | 117.7 | 81% | 0.812 | 68% | 0.675 | S | S | * | * | 170.5 | 95.8 | 99.2 | 168.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1075 | D | 21 | Very low | 24.3 | Very low | 151 Ų | 151 | 116.7 Ų | 116.7 | 81% | 0.807 | 68% | 0.679 | S | S | * | * | 62.6 | 147.2 | 121.2 | -137.4 | 5.1 | 0 | 0 | 0 | 125.9 | |||||
| 1076 | V | 22.5 | Very low | 24.3 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | trans | 72.1 | 93.8 | 159.6 | -165.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1077 | N | 26.3 | Very low | 24.2 | Very low | 153 Ų | 153 | 118.9 Ų | 118.9 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | 178.2 | 160.6 | 93.5 | -113.1 | -20.6 | 0 | 0 | 0 | 113.8 | |||||
| 1078 | D | 22.5 | Very low | 23.9 | Very low | 147 Ų | 147 | 120.1 Ų | 120.1 | 79% | 0.786 | 70% | 0.702 | S | S | * | * | trans | -89.6 | 152 | -178 | -51.9 | -79.6 | 0 | 0 | 0 | 114.1 | ||||
| 1079 | D | 23.1 | Very low | 23.9 | Very low | 146 Ų | 146 | 125.3 Ų | 125.3 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | 177 | 145.4 | 101.8 | -121.4 | -38.6 | 0 | 0 | 0 | 114.8 | |||||
| 1080 | C | 24.8 | Very low | 23.9 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | trans | 60.6 | 153.1 | 153.4 | -71.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 1081 | I | 23.8 | Very low | 23.8 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 72% | 0.723 | 74% | 0.736 | S | S | * | * | cis | -166.8 | 156.6 | -27.6 | -137.6 | 167.5 | 0 | 0 | 0 | 109.9 | ||||
| 1082 | I | 25.8 | Very low | 23.7 | Very low | 143 Ų | 143 | 128 Ų | 128 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | 65.2 | 121.7 | 168.4 | -74 | 168.5 | 0 | 0 | 0 | 115.8 | ||||
| 1083 | S | 22.6 | Very low | 23.6 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | cis | 77.2 | 135.7 | 43.7 | 78.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1084 | S | 24.1 | Very low | 23.5 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | cis | -178 | 174.2 | 2.6 | 40.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1085 | S | 22.5 | Very low | 23.3 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | 76.9 | 155.2 | 163.5 | -56.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1086 | I | 26.6 | Very low | 23.5 | Very low | 165 Ų | 165 | 124.5 Ų | 124.5 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | cis | -133.8 | 173.5 | 1.1 | -127.3 | 149 | 0 | 0 | 0 | 110.3 | ||||
| 1087 | S | 22.4 | Very low | 23.5 | Very low | 84 Ų | 84 | 125.6 Ų | 125.6 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | trans | -119.1 | 172.2 | -175 | 53.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1088 | D | 22.4 | Very low | 23.5 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | trans | 79.6 | 111.3 | 156.4 | -49.6 | -57.9 | 0 | 0 | 0 | 119.8 | ||||
| 1089 | I | 27 | Very low | 23.6 | Very low | 176 Ų | 176 | 124.2 Ų | 124.2 | 90% | 0.903 | 73% | 0.734 | S | S | * | * | -148.5 | 151.4 | 122 | -100.4 | 159.4 | 0 | 0 | 0 | 107.5 | |||||
| 1090 | N | 23.1 | Very low | 23.7 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | trans | -122.4 | 157.7 | -163.9 | -78.9 | -74.3 | 0 | 0 | 0 | 113.6 | ||||
| 1091 | T | 21.8 | Very low | 23.7 | Very low | 124 Ų | 124 | 121 Ų | 121 | 76% | 0.761 | 72% | 0.724 | S | S | * | * | trans | 62 | 125.9 | 149 | 46.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1092 | T | 21.9 | Very low | 24 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | cis | -140.5 | -114.6 | -10.4 | -35.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1093 | T | 22.5 | Very low | 24.2 | Very low | 122 Ų | 122 | 116.8 Ų | 116.8 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | cis | -158.3 | 134.4 | -0.7 | -38.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1094 | A | 20.7 | Very low | 24.5 | Very low | 78 Ų | 78 | 115 Ų | 115 | 65% | 0.645 | 70% | 0.698 | S | S | * | * | trans | 59.1 | 129.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1095 | T | 21.9 | Very low | 25 | Very low | 130 Ų | 130 | 113.5 Ų | 113.5 | 80% | 0.798 | 68% | 0.682 | S | S | * | * | trans | 71.1 | 154.9 | 147.7 | 40.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1096 | T | 24.6 | Very low | 25.5 | Very low | 123 Ų | 123 | 113.9 Ų | 113.9 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | trans | 50.8 | 89.7 | 166.3 | 45.1 | 0 | 0 | 0 | 0 | 118.5 | N1098 | T1096-N1098 PolarHBondContact O-N 2.78Š| ||
| 1097 | T | 23.8 | Very low | 25.8 | Very low | 128 Ų | 128 | 111.5 Ų | 111.5 | 79% | 0.785 | 66% | 0.659 | S | S | * | * | 26.4 | 95.4 | 123.3 | 53.6 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1098 | N | 24.8 | Very low | 26.5 | Very low | 143 Ų | 143 | 112 Ų | 112 | 77% | 0.765 | 65% | 0.651 | S | S | * | * | trans | -163.8 | 152.7 | 137 | -103.8 | -2.6 | 0 | 0 | 0 | 110 | T1096 | T1096-N1098 PolarHBondContact O-N 2.78Š| ||
| 1099 | D | 24.4 | Very low | 27.2 | Very low | 128 Ų | 128 | 109.2 Ų | 109.2 | 68% | 0.684 | 64% | 0.635 | S | S | * | * | trans | 56.2 | 151.3 | 155 | -59.5 | -42.4 | 0 | 0 | 0 | 120.6 | ||||
| 1100 | S | 25.4 | Very low | 27.7 | Very low | 94 Ų | 94 | 104.4 Ų | 104.4 | 66% | 0.657 | 61% | 0.609 | S | S | * | * | cis | -142.7 | 130.3 | -1.3 | 41.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1101 | S | 25.9 | Very low | 28.5 | Very low | 88 Ų | 88 | 103.4 Ų | 103.4 | 62% | 0.615 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -158.4 | -34.4 | 168.8 | 52.7 | 0 | 0 | 0 | 0 | 115 | C1104 D1105 | S1101-C1104 WeakPolarHBondContact O-CB 3.45Å; S1101-C1104 PolarHBondContact O-N 2.8Å; S1101-C1104 VanDerWaalsContact O-N 3.11Å; S1101-D1105 PolarHBondContact O-N 2.72Å |
| 1102 | S | 30 | Very low | 29.4 | Very low | 93 Ų | 93 | 102.4 Ų | 102.4 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.3 | -44 | 171.3 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | C1104 D1105 L1106 | S1102-C1104 PolarHBondContact O-N 3.14Å; S1102-D1105 PolarHBondContact O-N 2.91Å; S1102-L1106 PolarHBondContact O-N 3.31Å |
| 1103 | L | 29.4 | Very low | 30.1 | Very low | 103 Ų | 103 | 101 Ų | 101 | 54% | 0.539 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -58.8 | -32 | 171.4 | -78 | 170.9 | 0 | 0 | 0 | 112.4 | D1105 L1106 F1107 | L1103-D1105 VanDerWaalsContact C-N 3.33Å; L1103-D1105 PolarHBondContact O-N 3.43Å; L1103-L1106 PolarHBondContact O-N 3.18Å; L1103-F1107 WeakPolarHBondContact O-CB 3.38Å; L1103-F1107 PolarHBondContact O-N 3.31Å |
| 1104 | C | 29.4 | Very low | 31 | Very low | 59 Ų | 59 | 101.8 Ų | 101.8 | 40% | 0.399 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.6 | -25.5 | -178.8 | -166.5 | 0 | 0 | 0 | 0 | 112.9 | S1101 S1102 K1108 | S1101-C1104 WeakPolarHBondContact O-CB 3.45Å; S1101-C1104 PolarHBondContact O-N 2.8Å; S1101-C1104 VanDerWaalsContact O-N 3.11Å; S1102-C1104 PolarHBondContact O-N 3.14Å; C1104-K1108 WeakPolarHBondContact O-CB 3.43Å; C1104-K1108 WeakPolarHBondContact O-CD 3.48Å; C1104-K1108 VanDerWaalsContact O-CE 3.29Å; C1104-K1108 WeakPolarHBondContact O-CE 3.31Å; C1104-K1108 WeakPolarHBondContact O-CG 3.5Å; C1104-K1108 PolarHBondContact O-N 3.24Å; C1104-K1108 WeakPolarHBondContact SG-CE 3.49Å; C1104-K1108 PolarHBondContact SG-NZ 3.22Å |
| 1105 | D | 34 | Very low | 32.1 | Very low | 68 Ų | 68 | 102.6 Ų | 102.6 | 36% | 0.364 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -84.4 | -31.1 | 174.3 | -76.2 | -7.7 | 0 | 0 | 0 | 111.9 | S1101 S1102 L1103 K1108 I1109 | S1101-D1105 PolarHBondContact O-N 2.72Å; S1102-D1105 PolarHBondContact O-N 2.91Å; L1103-D1105 VanDerWaalsContact C-N 3.33Å; L1103-D1105 PolarHBondContact O-N 3.43Å; D1105-K1108 PolarHBondContact O-N 3.32Å; D1105-K1108 IonicContact OD1-NZ 3.89Å; D1105-K1108 PolarHBondContact OD1-NZ 2.92Å; D1105-I1109 WeakPolarHBondContact O-CG1 3.45Å; D1105-I1109 PolarHBondContact O-N 3.07Å |
| 1106 | L | 33.3 | Very low | 33.1 | Very low | 118 Ų | 118 | 98 Ų | 98 | 62% | 0.618 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.8 | -44.1 | 163.7 | -95.2 | 166.5 | 0 | 0 | 0 | 111.5 | S1102 L1103 K1108 I1109 E1110 | S1102-L1106 PolarHBondContact O-N 3.31Å; L1103-L1106 PolarHBondContact O-N 3.18Å; L1106-K1108 VanDerWaalsContact C-N 3.27Å; L1106-K1108 PolarHBondContact O-N 2.91Å; L1106-I1109 CarbonylContact O-C 3.55Å; L1106-I1109 PolarHBondContact O-N 2.96Å; L1106-E1110 VanDerWaalsContact O-CB 3.29Å; L1106-E1110 WeakPolarHBondContact O-CB 3.22Å; L1106-E1110 PolarHBondContact O-N 3.4Å |
| 1107 | F | 33.6 | Very low | 33.8 | Very low | 115 Ų | 115 | 95.5 Ų | 95.5 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -24.7 | 174 | -123.6 | -96 | 0 | 0 | 0 | 112.8 | L1103 L1111 | L1103-F1107 WeakPolarHBondContact O-CB 3.38Å; L1103-F1107 PolarHBondContact O-N 3.31Å; F1107-L1111 HydrophobicContact CD1-CD1 4.19Å; F1107-L1111 HydrophobicContact CD1-CG 4.38Å; F1107-L1111 WeakPolarHBondContact O-CB 3.35Å; F1107-L1111 WeakPolarHBondContact O-CD1 3.45Å; F1107-L1111 WeakPolarHBondContact O-CG 3.27Å; F1107-L1111 PolarHBondContact O-N 3.12Å |
| 1108 | K | 37.5 | Very low | 34.5 | Very low | 95 Ų | 95 | 93.4 Ų | 93.4 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77.1 | -39.5 | 170.7 | -80.5 | 165.1 | -141.7 | 146.6 | 0 | 112.4 | C1104 D1105 L1106 E1110 L1111 Q1112 | C1104-K1108 WeakPolarHBondContact O-CB 3.43Å; C1104-K1108 WeakPolarHBondContact O-CD 3.48Å; C1104-K1108 VanDerWaalsContact O-CE 3.29Å; C1104-K1108 WeakPolarHBondContact O-CE 3.31Å; C1104-K1108 WeakPolarHBondContact O-CG 3.5Å; C1104-K1108 PolarHBondContact O-N 3.24Å; C1104-K1108 WeakPolarHBondContact SG-CE 3.49Å; C1104-K1108 PolarHBondContact SG-NZ 3.22Å; D1105-K1108 PolarHBondContact O-N 3.32Å; D1105-K1108 IonicContact OD1-NZ 3.89Å; D1105-K1108 PolarHBondContact OD1-NZ 2.92Å; L1106-K1108 VanDerWaalsContact C-N 3.27Å; L1106-K1108 PolarHBondContact O-N 2.91Å; K1108-E1110 VanDerWaalsContact C-N 3.27Å; K1108-L1111 PolarHBondContact O-N 3.27Å; K1108-Q1112 VanDerWaalsContact O-CB 3.22Å; K1108-Q1112 WeakPolarHBondContact O-CB 3.41Å; K1108-Q1112 VanDerWaalsContact O-CG 3.22Å; K1108-Q1112 WeakPolarHBondContact O-CG 3.36Å; K1108-Q1112 PolarHBondContact O-N 3.05Å |
| 1109 | I | 35.5 | Very low | 35.3 | Very low | 67 Ų | 67 | 88.3 Ų | 88.3 | 34% | 0.344 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 171.2 | -70.6 | 168.4 | 0 | 0 | 0 | 109.2 | F1063 D1105 L1106 Q1112 L1113 | F1063-I1109 HydrophobicContact CD1-CD1 4.25Å; F1063-I1109 HydrophobicContact CD1-CG1 4.21Å; F1063-I1109 HydrophobicContact CE1-CG1 4.37Å; D1105-I1109 WeakPolarHBondContact O-CG1 3.45Å; D1105-I1109 PolarHBondContact O-N 3.07Å; L1106-I1109 CarbonylContact O-C 3.55Å; L1106-I1109 PolarHBondContact O-N 2.96Å; I1109-Q1112 PolarHBondContact O-N 2.83Å; I1109-L1113 HydrophobicContact CG2-CD1 3.86Å; I1109-L1113 HydrophobicContact CG2-CG 4.43Å; I1109-L1113 WeakPolarHBondContact O-CB 3.45Å; I1109-L1113 WeakPolarHBondContact O-CG 3.18Å; I1109-L1113 PolarHBondContact O-N 3.22Å |
| 1110 | E | 38.3 | Very low | 36.2 | Very low | 74 Ų | 74 | 85.3 Ų | 85.3 | 35% | 0.346 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.6 | -35.7 | 173.4 | -160.8 | -174 | 154.2 | 0 | 0 | 112.3 | L1106 K1108 R1114 | L1106-E1110 VanDerWaalsContact O-CB 3.29Å; L1106-E1110 WeakPolarHBondContact O-CB 3.22Å; L1106-E1110 PolarHBondContact O-N 3.4Å; K1108-E1110 VanDerWaalsContact C-N 3.27Å; E1110-R1114 HydrophobicContact CG-CG 4.39Å; E1110-R1114 WeakPolarHBondContact O-CA 3.36Å; E1110-R1114 WeakPolarHBondContact O-CB 3.43Å; E1110-R1114 WeakPolarHBondContact O-CG 3.24Å; E1110-R1114 PolarHBondContact O-N 2.82Å; E1110-R1114 IonicContact OE1-CZ 3.18Å; E1110-R1114 IonicContact OE1-NE 3.14Å; E1110-R1114 PolarHBondContact OE1-NE 3.32Å; E1110-R1114 IonicContact OE1-NH2 2.75Å; E1110-R1114 PolarHBondContact OE1-NH2 3.33Å |
| 1111 | L | 40.2 | Very low | 37.1 | Very low | 99 Ų | 99 | 85.7 Ų | 85.7 | 52% | 0.518 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -73.4 | -33.6 | 173.6 | -81.4 | 164 | 0 | 0 | 0 | 112.6 | F1107 K1108 S1115 | F1107-L1111 HydrophobicContact CD1-CD1 4.19Å; F1107-L1111 HydrophobicContact CD1-CG 4.38Å; F1107-L1111 WeakPolarHBondContact O-CB 3.35Å; F1107-L1111 WeakPolarHBondContact O-CD1 3.45Å; F1107-L1111 WeakPolarHBondContact O-CG 3.27Å; F1107-L1111 PolarHBondContact O-N 3.12Å; K1108-L1111 PolarHBondContact O-N 3.27Å; L1111-S1115 WeakPolarHBondContact O-CB 3.41Å; L1111-S1115 PolarHBondContact O-N 2.65Å; L1111-S1115 PolarHBondContact O-OG 3.26Å |
| 1112 | Q | 40.2 | Very low | 38 | Very low | 104 Ų | 104 | 82.5 Ų | 82.5 | 49% | 0.486 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -76.7 | -29 | 174.2 | -73.2 | 176.4 | -7.6 | 0 | 0 | 112.2 | K1108 I1109 S1115 V1116 | K1108-Q1112 VanDerWaalsContact O-CB 3.22Å; K1108-Q1112 WeakPolarHBondContact O-CB 3.41Å; K1108-Q1112 VanDerWaalsContact O-CG 3.22Å; K1108-Q1112 WeakPolarHBondContact O-CG 3.36Å; K1108-Q1112 PolarHBondContact O-N 3.05Å; I1109-Q1112 PolarHBondContact O-N 2.83Å; Q1112-S1115 PolarHBondContact O-OG 3.33Å; Q1112-V1116 VanDerWaalsContact O-CG2 3.27Å; Q1112-V1116 WeakPolarHBondContact O-CG2 3.41Å |
| 1113 | L | 37.7 | Very low | 38.8 | Very low | 93 Ų | 93 | 79.2 Ų | 79.2 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -77.7 | -38.1 | 167.1 | -71.5 | 171 | 0 | 0 | 0 | 110.7 | I1109 S1115 V1116 L1117 | I1109-L1113 HydrophobicContact CG2-CD1 3.86Å; I1109-L1113 HydrophobicContact CG2-CG 4.43Å; I1109-L1113 WeakPolarHBondContact O-CB 3.45Å; I1109-L1113 WeakPolarHBondContact O-CG 3.18Å; I1109-L1113 PolarHBondContact O-N 3.22Å; L1113-S1115 PolarHBondContact O-N 3.04Å; L1113-V1116 CarbonylContact O-C 3.54Å; L1113-V1116 VanDerWaalsContact O-C 3.26Å; L1113-V1116 WeakPolarHBondContact O-CA 3.43Å; L1113-V1116 PolarHBondContact O-N 2.95Å; L1113-L1117 HydrophobicContact CB-CD1 4.33Å; L1113-L1117 WeakPolarHBondContact O-CA 3.44Å; L1113-L1117 WeakPolarHBondContact O-CB 3.27Å; L1113-L1117 WeakPolarHBondContact O-CD1 3.48Å; L1113-L1117 PolarHBondContact O-N 2.69Å |
| 1114 | R | 40.8 | Very low | 39.7 | Very low | 138 Ų | 138 | 77 Ų | 77 | 52% | 0.521 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 174.9 | -80.2 | 169.8 | -178.6 | -120 | 9.2 | 111.7 | E1110 V1116 L1117 | E1110-R1114 HydrophobicContact CG-CG 4.39Å; E1110-R1114 WeakPolarHBondContact O-CA 3.36Å; E1110-R1114 WeakPolarHBondContact O-CB 3.43Å; E1110-R1114 WeakPolarHBondContact O-CG 3.24Å; E1110-R1114 PolarHBondContact O-N 2.82Å; E1110-R1114 IonicContact OE1-CZ 3.18Å; E1110-R1114 IonicContact OE1-NE 3.14Å; E1110-R1114 PolarHBondContact OE1-NE 3.32Å; E1110-R1114 IonicContact OE1-NH2 2.75Å; E1110-R1114 PolarHBondContact OE1-NH2 3.33Å; R1114-V1116 PolarHBondContact O-N 2.86Å; R1114-L1117 HydrophobicContact CG-CD2 4.41Å; R1114-L1117 PolarHBondContact O-N 2.82Å |
| 1115 | S | 44.3 | Very low | 40.5 | Very low | 94 Ų | 94 | 78 Ų | 78 | 66% | 0.657 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -9.5 | 172.7 | 68.6 | 0 | 0 | 0 | 0 | 114.2 | L1111 Q1112 L1113 | L1111-S1115 WeakPolarHBondContact O-CB 3.41Å; L1111-S1115 PolarHBondContact O-N 2.65Å; L1111-S1115 PolarHBondContact O-OG 3.26Å; Q1112-S1115 PolarHBondContact O-OG 3.33Å; L1113-S1115 PolarHBondContact O-N 3.04Å |
| 1116 | V | 42.4 | Very low | 41.3 | Very low | 34 Ų | 34 | 76.5 Ų | 76.5 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -4.4 | 174.5 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | L1054 Q1112 L1113 R1114 S1119 V1120 | L1054-V1116 HydrophobicContact CD1-CG1 3.79Å; L1054-V1116 HydrophobicContact CD1-CG2 4.13Å; Q1112-V1116 VanDerWaalsContact O-CG2 3.27Å; Q1112-V1116 WeakPolarHBondContact O-CG2 3.41Å; L1113-V1116 CarbonylContact O-C 3.54Å; L1113-V1116 VanDerWaalsContact O-C 3.26Å; L1113-V1116 WeakPolarHBondContact O-CA 3.43Å; L1113-V1116 PolarHBondContact O-N 2.95Å; R1114-V1116 PolarHBondContact O-N 2.86Å; V1116-S1119 CarbonylContact O-C 3.54Å; V1116-S1119 VanDerWaalsContact O-CA 3.3Å; V1116-S1119 WeakPolarHBondContact O-CA 3.2Å; V1116-S1119 VanDerWaalsContact O-CB 3.28Å; V1116-S1119 WeakPolarHBondContact O-CB 3.1Å; V1116-S1119 PolarHBondContact O-N 3.1Å; V1116-V1120 HydrophobicContact CG1-CG2 4.12Å; V1116-V1120 PolarHBondContact O-N 2.75Å |
| 1117 | L | 38.2 | Very low | 42.1 | Very low | 71 Ų | 71 | 72.1 Ų | 72.1 | 37% | 0.372 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | -175.7 | -126.7 | 68.8 | 0 | 0 | 0 | 112.9 | L1113 R1114 S1119 V1120 I1121 | L1113-L1117 HydrophobicContact CB-CD1 4.33Å; L1113-L1117 WeakPolarHBondContact O-CA 3.44Å; L1113-L1117 WeakPolarHBondContact O-CB 3.27Å; L1113-L1117 WeakPolarHBondContact O-CD1 3.48Å; L1113-L1117 PolarHBondContact O-N 2.69Å; R1114-L1117 HydrophobicContact CG-CD2 4.41Å; R1114-L1117 PolarHBondContact O-N 2.82Å; L1117-S1119 PolarHBondContact O-N 3.47Å; L1117-S1119 VanDerWaalsContact O-N 3.09Å; L1117-V1120 PolarHBondContact O-N 2.71Å; L1117-I1121 HydrophobicContact CG-CD1 4.4Å; L1117-I1121 WeakPolarHBondContact O-CG1 3.27Å; L1117-I1121 PolarHBondContact O-N 3.07Å |
| 1118 | P | 38.7 | Very low | 42.8 | Very low | 83 Ų | 83 | 71.3 Ų | 71.3 | 54% | 0.539 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.4 | -24.8 | 171.5 | -27.2 | 36.6 | 0 | 0 | 0 | 113.4 | K1122 | P1118-K1122 VanDerWaalsContact O-CD 3.26Å; P1118-K1122 WeakPolarHBondContact O-CD 3.23Å; P1118-K1122 VanDerWaalsContact O-CG 3.29Å; P1118-K1122 WeakPolarHBondContact O-CG 3.45Å |
| 1119 | S | 43.1 | Very low | 43.2 | Very low | 36 Ų | 36 | 70.2 Ų | 70.2 | 25% | 0.252 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -93.8 | -16.6 | 174.7 | -62.8 | 0 | 0 | 0 | 0 | 114.3 | W1047 V1116 L1117 | W1047-S1119 PolarHBondContact NE1-O 3.13Å; W1047-S1119 VanDerWaalsContact NE1-O 3.09Å; V1116-S1119 CarbonylContact O-C 3.54Å; V1116-S1119 VanDerWaalsContact O-CA 3.3Å; V1116-S1119 WeakPolarHBondContact O-CA 3.2Å; V1116-S1119 VanDerWaalsContact O-CB 3.28Å; V1116-S1119 WeakPolarHBondContact O-CB 3.1Å; V1116-S1119 PolarHBondContact O-N 3.1Å; L1117-S1119 PolarHBondContact O-N 3.47Å; L1117-S1119 VanDerWaalsContact O-N 3.09Å |
| 1120 | V | 42.3 | Very low | 43.8 | Very low | 65 Ų | 65 | 67.8 Ų | 67.8 | 39% | 0.394 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -92.2 | -37.6 | 177.2 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | V1116 L1117 K1122 V1123 | V1116-V1120 HydrophobicContact CG1-CG2 4.12Å; V1116-V1120 PolarHBondContact O-N 2.75Å; L1117-V1120 PolarHBondContact O-N 2.71Å; V1120-K1122 PolarHBondContact O-N 3.27Å; V1120-V1123 WeakPolarHBondContact O-CA 3.27Å; V1120-V1123 WeakPolarHBondContact O-CB 3.34Å; V1120-V1123 WeakPolarHBondContact O-CG2 3.42Å; V1120-V1123 PolarHBondContact O-N 3.05Å |
| 1121 | I | 44 | Very low | 44.2 | Very low | 102 Ų | 102 | 68.3 Ų | 68.3 | 52% | 0.523 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 170.1 | -66.2 | 167.6 | 0 | 0 | 0 | 109.2 | L1117 V1123 V1124 E1125 | L1117-I1121 HydrophobicContact CG-CD1 4.4Å; L1117-I1121 WeakPolarHBondContact O-CG1 3.27Å; L1117-I1121 PolarHBondContact O-N 3.07Å; I1121-V1123 PolarHBondContact O-N 2.94Å; I1121-V1123 VanDerWaalsContact O-N 3.16Å; I1121-V1124 PolarHBondContact O-N 3.19Å; I1121-E1125 PolarHBondContact O-N 2.93Å |
| 1122 | K | 44.7 | Very low | 44.3 | Very low | 22 Ų | 22 | 67.8 Ų | 67.8 | 10% | 0.096 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.1 | -19.5 | 170.1 | -74.1 | 176.3 | -176.6 | 169.2 | 0 | 113.8 | Y934 E1033 P1118 V1120 E1125 Y1126 | Y934-K1122 PolarHBondContact OH-NZ 3.45Å; E1033-K1122 IonicContact OE1-NZ 3.97Å; E1033-K1122 PolarHBondContact OE1-NZ 2.94Å; E1033-K1122 IonicContact OE2-NZ 2.74Å; E1033-K1122 PolarHBondContact OE2-NZ 3.03Å; P1118-K1122 VanDerWaalsContact O-CD 3.26Å; P1118-K1122 WeakPolarHBondContact O-CD 3.23Å; P1118-K1122 VanDerWaalsContact O-CG 3.29Å; P1118-K1122 WeakPolarHBondContact O-CG 3.45Å; V1120-K1122 PolarHBondContact O-N 3.27Å; K1122-E1125 WeakPolarHBondContact CG-OE2 3.45Å; K1122-Y1126 HydrophobicContact CB-CD2 4.4Å; K1122-Y1126 HydrophobicContact CB-CE2 3.98Å; K1122-Y1126 WeakPolarHBondContact O-CB 3.38Å; K1122-Y1126 WeakPolarHBondContact O-CD2 3.28Å; K1122-Y1126 PolarHBondContact O-N 3.38Å |
| 1123 | V | 47.6 | Very low | 44.4 | Very low | 23 Ų | 23 | 68 Ų | 68 | 14% | 0.139 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 169 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | W1047 V1120 I1121 E1125 Y1126 I1127 L1143 | W1047-V1123 HydrophobicContact CH2-CG2 4.22Å; W1047-V1123 HydrophobicContact CZ2-CG2 3.64Å; V1120-V1123 WeakPolarHBondContact O-CA 3.27Å; V1120-V1123 WeakPolarHBondContact O-CB 3.34Å; V1120-V1123 WeakPolarHBondContact O-CG2 3.42Å; V1120-V1123 PolarHBondContact O-N 3.05Å; I1121-V1123 PolarHBondContact O-N 2.94Å; I1121-V1123 VanDerWaalsContact O-N 3.16Å; V1123-E1125 VanDerWaalsContact C-N 3.35Å; V1123-Y1126 PolarHBondContact O-N 3.3Å; V1123-I1127 HydrophobicContact CG1-CD1 3.94Å; V1123-I1127 HydrophobicContact CG1-CG1 4.43Å; V1123-I1127 VanDerWaalsContact O-CG1 3.31Å; V1123-I1127 WeakPolarHBondContact O-CG1 3.47Å; V1123-I1127 PolarHBondContact O-N 3.28Å; V1123-L1143 HydrophobicContact CG1-CD1 4.45Å |
| 1124 | V | 47.5 | Very low | 44.5 | Very low | 56 Ų | 56 | 70.7 Ų | 70.7 | 34% | 0.339 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 179.2 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | I1121 I1127 N1128 | I1121-V1124 PolarHBondContact O-N 3.19Å; V1124-I1127 PolarHBondContact O-N 2.82Å; V1124-N1128 WeakPolarHBondContact O-CB 3.45Å; V1124-N1128 PolarHBondContact O-N 3.08Å; V1124-N1128 PolarHBondContact O-ND2 2.84Å |
| 1125 | E | 47.7 | Very low | 44.5 | Very low | 82 Ų | 82 | 68.9 Ų | 68.9 | 38% | 0.383 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 168.6 | -64.4 | -166.5 | 106.9 | 0 | 0 | 112 | I1121 K1122 V1123 I1127 N1128 V1129 | I1121-E1125 PolarHBondContact O-N 2.93Å; K1122-E1125 WeakPolarHBondContact CG-OE2 3.45Å; V1123-E1125 VanDerWaalsContact C-N 3.35Å; E1125-I1127 VanDerWaalsContact C-N 3.33Å; E1125-I1127 PolarHBondContact O-N 3.43Å; E1125-N1128 CarbonylContact O-C 3.46Å; E1125-N1128 PolarHBondContact O-N 3.16Å; E1125-V1129 WeakPolarHBondContact O-CB 3.19Å; E1125-V1129 WeakPolarHBondContact O-CG2 3.45Å; E1125-V1129 PolarHBondContact O-N 2.78Å |
| 1126 | Y | 48.8 | Very low | 44.3 | Very low | 35 Ų | 35 | 72.7 Ų | 72.7 | 14% | 0.137 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.1 | -28.9 | 178.5 | -65.2 | -43 | 0 | 0 | 0 | 113.4 | I1044 W1047 K1122 V1123 G1130 | I1044-Y1126 HydrophobicContact CD1-CE1 3.89Å; I1044-Y1126 HydrophobicContact CG1-CE1 3.82Å; W1047-Y1126 HydrophobicContact CD2-CD2 4.35Å; W1047-Y1126 AromaticContact CD2-CE2 3.86Å; W1047-Y1126 HydrophobicContact CD2-CE2 3.86Å; W1047-Y1126 AromaticContact CE2-CE2 3.71Å; W1047-Y1126 HydrophobicContact CE3-CD2 4.23Å; W1047-Y1126 HydrophobicContact CE3-CE2 4.03Å; W1047-Y1126 HydrophobicContact CG-CE2 4.47Å; W1047-Y1126 AromaticContact CH2-CD2 3.49Å; W1047-Y1126 HydrophobicContact CH2-CD2 3.49Å; W1047-Y1126 VanDerWaalsContact CH2-CD2 3.49Å; W1047-Y1126 HydrophobicContact CH2-CE2 4.01Å; W1047-Y1126 AromaticContact CZ2-CD2 3.58Å; W1047-Y1126 HydrophobicContact CZ2-CD2 3.58Å; W1047-Y1126 AromaticContact CZ2-CE2 3.79Å; W1047-Y1126 HydrophobicContact CZ2-CE2 3.79Å; W1047-Y1126 AromaticContact CZ3-CD2 3.83Å; W1047-Y1126 HydrophobicContact CZ3-CD2 3.83Å; W1047-Y1126 HydrophobicContact CZ3-CE2 4.11Å; K1122-Y1126 HydrophobicContact CB-CD2 4.4Å; K1122-Y1126 HydrophobicContact CB-CE2 3.98Å; K1122-Y1126 WeakPolarHBondContact O-CB 3.38Å; K1122-Y1126 WeakPolarHBondContact O-CD2 3.28Å; K1122-Y1126 PolarHBondContact O-N 3.38Å; V1123-Y1126 PolarHBondContact O-N 3.3Å; Y1126-G1130 PolarHBondContact O-N 2.7Å |
| 1127 | I | 50.8 | Low | 44.4 | Very low | 27 Ų | 27 | 74 Ų | 74 | 14% | 0.138 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.8 | -48.4 | 169 | -72.9 | 166 | 0 | 0 | 0 | 110.1 | V1123 V1124 E1125 G1130 S1131 L1140 | V1123-I1127 HydrophobicContact CG1-CD1 3.94Å; V1123-I1127 HydrophobicContact CG1-CG1 4.43Å; V1123-I1127 VanDerWaalsContact O-CG1 3.31Å; V1123-I1127 WeakPolarHBondContact O-CG1 3.47Å; V1123-I1127 PolarHBondContact O-N 3.28Å; V1124-I1127 PolarHBondContact O-N 2.82Å; E1125-I1127 VanDerWaalsContact C-N 3.33Å; E1125-I1127 PolarHBondContact O-N 3.43Å; I1127-G1130 PolarHBondContact O-N 3.18Å; I1127-S1131 WeakPolarHBondContact O-CB 3.33Å; I1127-S1131 PolarHBondContact O-N 2.56Å; I1127-S1131 PolarHBondContact O-OG 2.75Å; I1127-L1140 HydrophobicContact CD1-CD2 4.48Å; I1127-L1140 HydrophobicContact CG1-CD2 3.77Å |
| 1128 | N | 48 | Very low | 44.6 | Very low | 98 Ų | 98 | 75.2 Ų | 75.2 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.7 | -35.8 | -178.5 | -70.4 | -20.9 | 0 | 0 | 0 | 112 | V1124 E1125 S1131 A1132 | V1124-N1128 WeakPolarHBondContact O-CB 3.45Å; V1124-N1128 PolarHBondContact O-N 3.08Å; V1124-N1128 PolarHBondContact O-ND2 2.84Å; E1125-N1128 CarbonylContact O-C 3.46Å; E1125-N1128 PolarHBondContact O-N 3.16Å; N1128-S1131 CarbonylContact O-C 3.35Å; N1128-S1131 PolarHBondContact O-N 2.83Å; N1128-A1132 WeakPolarHBondContact O-CB 2.97Å; N1128-A1132 PolarHBondContact O-N 2.82Å |
| 1129 | V | 46.6 | Very low | 44.9 | Very low | 71 Ų | 71 | 77.3 Ų | 77.3 | 43% | 0.43 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.6 | -43.4 | 173.9 | 168.3 | 0 | 0 | 0 | 0 | 110.5 | E1125 S1131 A1132 I1133 | E1125-V1129 WeakPolarHBondContact O-CB 3.19Å; E1125-V1129 WeakPolarHBondContact O-CG2 3.45Å; E1125-V1129 PolarHBondContact O-N 2.78Å; V1129-S1131 VanDerWaalsContact C-N 3.25Å; V1129-S1131 PolarHBondContact O-N 3.4Å; V1129-A1132 PolarHBondContact O-N 2.71Å; V1129-A1132 VanDerWaalsContact O-N 3.17Å; V1129-I1133 HydrophobicContact CG1-CD1 3.47Å; V1129-I1133 VanDerWaalsContact CG1-CD1 3.47Å; V1129-I1133 HydrophobicContact CG1-CG1 4.29Å; V1129-I1133 VanDerWaalsContact O-CG1 3.24Å; V1129-I1133 WeakPolarHBondContact O-CG1 3.34Å; V1129-I1133 PolarHBondContact O-N 2.93Å |
| 1130 | G | 48.5 | Very low | 45.1 | Very low | 17 Ų | 17 | 77.4 Ų | 77.4 | 18% | 0.175 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1126 I1127 D1134 I1135 | Y1126-G1130 PolarHBondContact O-N 2.7Å; I1127-G1130 PolarHBondContact O-N 3.18Å; G1130-D1134 PolarHBondContact O-N 3.17Å; G1130-I1135 PolarHBondContact O-N 3.45Å |
| 1131 | S | 46 | Very low | 45.2 | Very low | 85 Ų | 85 | 78 Ų | 78 | 59% | 0.594 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -75.7 | -26.9 | 175.9 | -52.6 | 0 | 0 | 0 | 0 | 113.5 | I1127 N1128 V1129 | I1127-S1131 WeakPolarHBondContact O-CB 3.33Å; I1127-S1131 PolarHBondContact O-N 2.56Å; I1127-S1131 PolarHBondContact O-OG 2.75Å; N1128-S1131 CarbonylContact O-C 3.35Å; N1128-S1131 PolarHBondContact O-N 2.83Å; V1129-S1131 VanDerWaalsContact C-N 3.25Å; V1129-S1131 PolarHBondContact O-N 3.4Å |
| 1132 | A | 43 | Very low | 45.4 | Very low | 87 Ų | 87 | 80.3 Ų | 80.3 | 72% | 0.719 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -89.5 | -15 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1128 V1129 | N1128-A1132 WeakPolarHBondContact O-CB 2.97Å; N1128-A1132 PolarHBondContact O-N 2.82Å; V1129-A1132 PolarHBondContact O-N 2.71Å; V1129-A1132 VanDerWaalsContact O-N 3.17Å |
| 1133 | I | 40.9 | Very low | 45.5 | Very low | 110 Ų | 110 | 82.1 Ų | 82.1 | 56% | 0.564 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -2.6 | 169.3 | -48.3 | 159.9 | 0 | 0 | 0 | 111 | V1129 I1135 | V1129-I1133 HydrophobicContact CG1-CD1 3.47Å; V1129-I1133 VanDerWaalsContact CG1-CD1 3.47Å; V1129-I1133 HydrophobicContact CG1-CG1 4.29Å; V1129-I1133 VanDerWaalsContact O-CG1 3.24Å; V1129-I1133 WeakPolarHBondContact O-CG1 3.34Å; V1129-I1133 PolarHBondContact O-N 2.93Å; I1133-I1135 HydrophobicContact CB-CD1 4.43Å; I1133-I1135 HydrophobicContact CB-CG1 4.46Å; I1133-I1135 HydrophobicContact CG2-CD1 3.9Å; I1133-I1135 HydrophobicContact CG2-CG1 4.21Å |
| 1134 | D | 40.1 | Very low | 45.4 | Very low | 149 Ų | 149 | 85.8 Ų | 85.8 | 80% | 0.797 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 53.1 | 178.6 | -158 | 25 | 0 | 0 | 0 | 113.6 | G1130 | G1130-D1134 PolarHBondContact O-N 3.17Š|
| 1135 | I | 41.7 | Very low | 45.4 | Very low | 99 Ų | 99 | 91.8 Ų | 91.8 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | trans | -122.3 | 105.4 | 178.9 | -56.1 | 179.8 | 0 | 0 | 0 | 110.4 | G1130 I1133 L1137 | G1130-I1135 PolarHBondContact O-N 3.45Å; I1133-I1135 HydrophobicContact CB-CD1 4.43Å; I1133-I1135 HydrophobicContact CB-CG1 4.46Å; I1133-I1135 HydrophobicContact CG2-CD1 3.9Å; I1133-I1135 HydrophobicContact CG2-CG1 4.21Å; I1135-L1137 HydrophobicContact CG2-CG 4.41Å; I1135-L1137 PolarHBondContact O-N 3.3Å | ||
| 1136 | E | 39.6 | Very low | 45.5 | Very low | 175 Ų | 175 | 91.9 Ų | 91.9 | 82% | 0.818 | 49% | 0.486 | S | S | * | . | trans | -66.6 | 119 | 169.4 | -70.9 | -159.5 | 127.6 | 0 | 0 | 111.5 | ||||
| 1137 | L | 43.8 | Very low | 45.6 | Very low | 61 Ų | 61 | 93 Ų | 93 | 32% | 0.319 | 49% | 0.492 | S | S | . | . | trans | -113.4 | 110 | 171.8 | -83.6 | 171.1 | 0 | 0 | 0 | 109.6 | I1135 E1139 L1140 | I1135-L1137 HydrophobicContact CG2-CG 4.41Å; I1135-L1137 PolarHBondContact O-N 3.3Å; L1137-E1139 VanDerWaalsContact C-N 3.28Å; L1137-E1139 PolarHBondContact O-N 3Å; L1137-E1139 VanDerWaalsContact O-N 3.15Å; L1137-L1140 HydrophobicContact CB-CB 4.34Å; L1137-L1140 HydrophobicContact CB-CD1 3.92Å; L1137-L1140 HydrophobicContact CB-CG 4.48Å; L1137-L1140 HydrophobicContact CD1-CD1 3.89Å; L1137-L1140 WeakPolarHBondContact O-CB 3.1Å; L1137-L1140 PolarHBondContact O-N 3Å | ||
| 1138 | P | 44.3 | Very low | 45.5 | Very low | 96 Ų | 96 | 96.2 Ų | 96.2 | 62% | 0.623 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -31.6 | -173 | -29.8 | 36.8 | 0 | 0 | 0 | 115.4 | L1140 N1141 | P1138-L1140 VanDerWaalsContact C-N 3.31Å; P1138-L1140 PolarHBondContact O-N 3.22Å; P1138-N1141 PolarHBondContact O-N 2.91Å |
| 1139 | E | 44.6 | Very low | 45.5 | Very low | 127 Ų | 127 | 95.5 Ų | 95.5 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -30 | 177.5 | -53.5 | 92.5 | 178.5 | 0 | 0 | 112.5 | R1048 L1137 N1141 Q1142 | R1048-E1139 IonicContact NH2-OE2 3.69Å; L1137-E1139 VanDerWaalsContact C-N 3.28Å; L1137-E1139 PolarHBondContact O-N 3Å; L1137-E1139 VanDerWaalsContact O-N 3.15Å; E1139-N1141 PolarHBondContact O-N 3.12Å; E1139-Q1142 PolarHBondContact O-N 3.32Å |
| 1140 | L | 46.4 | Very low | 45.6 | Very low | 38 Ų | 38 | 96.9 Ų | 96.9 | 20% | 0.199 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -69 | -17.8 | 177.5 | -85.9 | 162.2 | 0 | 0 | 0 | 112.5 | I1127 L1137 P1138 Q1142 L1143 K1144 | I1127-L1140 HydrophobicContact CD1-CD2 4.48Å; I1127-L1140 HydrophobicContact CG1-CD2 3.77Å; L1137-L1140 HydrophobicContact CB-CB 4.34Å; L1137-L1140 HydrophobicContact CB-CD1 3.92Å; L1137-L1140 HydrophobicContact CB-CG 4.48Å; L1137-L1140 HydrophobicContact CD1-CD1 3.89Å; L1137-L1140 WeakPolarHBondContact O-CB 3.1Å; L1137-L1140 PolarHBondContact O-N 3Å; P1138-L1140 VanDerWaalsContact C-N 3.31Å; P1138-L1140 PolarHBondContact O-N 3.22Å; L1140-Q1142 VanDerWaalsContact C-N 3.27Å; L1140-Q1142 PolarHBondContact O-N 2.75Å; L1140-L1143 HydrophobicContact CD2-CB 4.29Å; L1140-L1143 HydrophobicContact CD2-CD1 3.82Å; L1140-L1143 PolarHBondContact O-N 2.9Å; L1140-K1144 VanDerWaalsContact O-CB 3.29Å; L1140-K1144 WeakPolarHBondContact O-CB 3.33Å; L1140-K1144 PolarHBondContact O-N 3.26Å |
| 1141 | N | 45.6 | Very low | 45.7 | Very low | 77 Ų | 77 | 97.6 Ų | 97.6 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.8 | -21.6 | 173.3 | -82.3 | -46.2 | 0 | 0 | 0 | 113.7 | P1138 E1139 R1145 | P1138-N1141 PolarHBondContact O-N 2.91Å; E1139-N1141 PolarHBondContact O-N 3.12Å; N1141-R1145 WeakPolarHBondContact O-CG 3.04Å; N1141-R1145 PolarHBondContact O-N 3.26Å |
| 1142 | Q | 48 | Very low | 46.1 | Very low | 152 Ų | 152 | 99.3 Ų | 99.3 | 71% | 0.71 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -77.7 | -43.5 | 171.4 | -64 | -172.3 | 3.4 | 0 | 0 | 110.9 | E1139 L1140 K1144 R1145 V1146 | E1139-Q1142 PolarHBondContact O-N 3.32Å; L1140-Q1142 VanDerWaalsContact C-N 3.27Å; L1140-Q1142 PolarHBondContact O-N 2.75Å; Q1142-K1144 VanDerWaalsContact C-N 3.27Å; Q1142-K1144 PolarHBondContact O-N 3.37Å; Q1142-R1145 PolarHBondContact O-N 3.2Å; Q1142-V1146 PolarHBondContact O-N 2.84Å |
| 1143 | L | 45.4 | Very low | 46.4 | Very low | 60 Ų | 60 | 98 Ų | 98 | 31% | 0.314 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -34.2 | 172.1 | -71.1 | 168.5 | 0 | 0 | 0 | 111.9 | V1123 L1140 V1146 H1147 | V1123-L1143 HydrophobicContact CG1-CD1 4.45Å; L1140-L1143 HydrophobicContact CD2-CB 4.29Å; L1140-L1143 HydrophobicContact CD2-CD1 3.82Å; L1140-L1143 PolarHBondContact O-N 2.9Å; L1143-V1146 PolarHBondContact O-N 3.1Å; L1143-H1147 VanDerWaalsContact O-CB 3.27Å; L1143-H1147 WeakPolarHBondContact O-CB 3.4Å; L1143-H1147 PolarHBondContact O-N 3.44Å |
| 1144 | K | 46.2 | Very low | 46.8 | Very low | 99 Ų | 99 | 96.9 Ų | 96.9 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 173.9 | -176.1 | 173.7 | 174.6 | 176.5 | 0 | 112.3 | L1140 Q1142 H1147 E1148 | L1140-K1144 VanDerWaalsContact O-CB 3.29Å; L1140-K1144 WeakPolarHBondContact O-CB 3.33Å; L1140-K1144 PolarHBondContact O-N 3.26Å; Q1142-K1144 VanDerWaalsContact C-N 3.27Å; Q1142-K1144 PolarHBondContact O-N 3.37Å; K1144-H1147 CarbonylContact O-C 3.56Å; K1144-H1147 PolarHBondContact O-N 3.45Å; K1144-E1148 WeakPolarHBondContact CE-OE1 3.2Å; K1144-E1148 HydrophobicContact CG-CG 4.43Å; K1144-E1148 WeakPolarHBondContact O-CB 3.16Å; K1144-E1148 VanDerWaalsContact O-CG 3.26Å; K1144-E1148 WeakPolarHBondContact O-CG 3.06Å; K1144-E1148 PolarHBondContact O-N 3.42Å |
| 1145 | R | 48.3 | Very low | 47.2 | Very low | 182 Ų | 182 | 96.9 Ų | 96.9 | 69% | 0.687 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.2 | -40.9 | 174.3 | -70.3 | 175.5 | -175.3 | -169.3 | 0.5 | 112.3 | N1141 Q1142 H1147 E1148 C1149 | N1141-R1145 WeakPolarHBondContact O-CG 3.04Å; N1141-R1145 PolarHBondContact O-N 3.26Å; Q1142-R1145 PolarHBondContact O-N 3.2Å; R1145-H1147 VanDerWaalsContact C-N 3.33Å; R1145-E1148 PolarHBondContact O-N 2.88Å; R1145-C1149 PolarHBondContact O-N 2.79Å; R1145-C1149 PolarHBondContact O-SG 3.08Å |
| 1146 | V | 49.3 | Very low | 47.5 | Very low | 84 Ų | 84 | 93.9 Ų | 93.9 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 173.3 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | Q1142 L1143 C1149 L1150 | Q1142-V1146 PolarHBondContact O-N 2.84Å; L1143-V1146 PolarHBondContact O-N 3.1Å; V1146-C1149 PolarHBondContact O-N 2.91Å; V1146-L1150 HydrophobicContact CG1-CD1 3.91Å; V1146-L1150 HydrophobicContact CG1-CG 4.43Å; V1146-L1150 WeakPolarHBondContact O-CB 3.42Å; V1146-L1150 VanDerWaalsContact O-CG 3.28Å; V1146-L1150 WeakPolarHBondContact O-CG 3.47Å; V1146-L1150 PolarHBondContact O-N 3.12Å |
| 1147 | H | 50.5 | Low | 48 | Very low | 58 Ų | 58 | 87.2 Ų | 87.2 | 27% | 0.269 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.5 | -33.8 | 174.6 | -178 | -83.8 | 0 | 0 | 0 | 112.9 | L1143 K1144 R1145 L1150 T1151 | L1143-H1147 VanDerWaalsContact O-CB 3.27Å; L1143-H1147 WeakPolarHBondContact O-CB 3.4Å; L1143-H1147 PolarHBondContact O-N 3.44Å; K1144-H1147 CarbonylContact O-C 3.56Å; K1144-H1147 PolarHBondContact O-N 3.45Å; R1145-H1147 VanDerWaalsContact C-N 3.33Å; H1147-L1150 PolarHBondContact O-N 2.97Å; H1147-T1151 VanDerWaalsContact CE1-CG2 3.45Å; H1147-T1151 WeakPolarHBondContact CE1-CG2 3.27Å; H1147-T1151 VanDerWaalsContact O-CB 3.31Å; H1147-T1151 WeakPolarHBondContact O-CB 3.11Å; H1147-T1151 WeakPolarHBondContact O-CG2 3.47Å; H1147-T1151 PolarHBondContact O-N 2.86Å; H1147-T1151 PolarHBondContact O-OG1 3.16Å |
| 1148 | E | 49.3 | Very low | 48.1 | Very low | 96 Ų | 96 | 89.6 Ų | 89.6 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.1 | -41.4 | 174.3 | -78.6 | 164.6 | 176.6 | 0 | 0 | 111 | K1144 R1145 W1152 | K1144-E1148 WeakPolarHBondContact CE-OE1 3.2Å; K1144-E1148 HydrophobicContact CG-CG 4.43Å; K1144-E1148 WeakPolarHBondContact O-CB 3.16Å; K1144-E1148 VanDerWaalsContact O-CG 3.26Å; K1144-E1148 WeakPolarHBondContact O-CG 3.06Å; K1144-E1148 PolarHBondContact O-N 3.42Å; R1145-E1148 PolarHBondContact O-N 2.88Å; E1148-W1152 VanDerWaalsContact O-CB 3.26Å; E1148-W1152 WeakPolarHBondContact O-CB 3.24Å; E1148-W1152 PolarHBondContact O-N 2.92Å |
| 1149 | C | 48.4 | Very low | 48.1 | Very low | 82 Ų | 82 | 87 Ų | 87 | 55% | 0.554 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 170.2 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | R1145 V1146 W1152 L1153 | R1145-C1149 PolarHBondContact O-N 2.79Å; R1145-C1149 PolarHBondContact O-SG 3.08Å; V1146-C1149 PolarHBondContact O-N 2.91Å; C1149-W1152 PolarHBondContact O-N 3.14Å; C1149-L1153 WeakPolarHBondContact O-CB 3.21Å; C1149-L1153 WeakPolarHBondContact O-CG 3.16Å; C1149-L1153 PolarHBondContact O-N 3.46Å |
| 1150 | L | 47.7 | Very low | 48 | Very low | 101 Ų | 101 | 84.8 Ų | 84.8 | 53% | 0.529 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 178.2 | -73.6 | 171.5 | 0 | 0 | 0 | 112.4 | V1146 H1147 L1153 E1154 | V1146-L1150 HydrophobicContact CG1-CD1 3.91Å; V1146-L1150 HydrophobicContact CG1-CG 4.43Å; V1146-L1150 WeakPolarHBondContact O-CB 3.42Å; V1146-L1150 VanDerWaalsContact O-CG 3.28Å; V1146-L1150 WeakPolarHBondContact O-CG 3.47Å; V1146-L1150 PolarHBondContact O-N 3.12Å; H1147-L1150 PolarHBondContact O-N 2.97Å; L1150-L1153 PolarHBondContact O-N 3.5Å; L1150-E1154 WeakPolarHBondContact O-CB 3.2Å; L1150-E1154 WeakPolarHBondContact O-CG 3Å; L1150-E1154 PolarHBondContact O-N 3.11Å |
| 1151 | T | 51.9 | Low | 47.7 | Very low | 32 Ų | 32 | 88 Ų | 88 | 20% | 0.196 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -79.9 | -19.4 | 176.3 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | H1147 K1155 | H1147-T1151 VanDerWaalsContact CE1-CG2 3.45Å; H1147-T1151 WeakPolarHBondContact CE1-CG2 3.27Å; H1147-T1151 VanDerWaalsContact O-CB 3.31Å; H1147-T1151 WeakPolarHBondContact O-CB 3.11Å; H1147-T1151 WeakPolarHBondContact O-CG2 3.47Å; H1147-T1151 PolarHBondContact O-N 2.86Å; H1147-T1151 PolarHBondContact O-OG1 3.16Å; T1151-K1155 VanDerWaalsContact O-CB 3.27Å; T1151-K1155 WeakPolarHBondContact O-CB 3.3Å; T1151-K1155 WeakPolarHBondContact O-CD 3.28Å; T1151-K1155 WeakPolarHBondContact O-CG 3.33Å; T1151-K1155 PolarHBondContact O-N 3.07Å |
| 1152 | W | 53.5 | Low | 47.4 | Very low | 120 Ų | 120 | 93.4 Ų | 93.4 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70 | -46.5 | 164 | -176.1 | 85.2 | 0 | 0 | 0 | 110.5 | E1148 C1149 K1155 V1156 L1186 | E1148-W1152 VanDerWaalsContact O-CB 3.26Å; E1148-W1152 WeakPolarHBondContact O-CB 3.24Å; E1148-W1152 PolarHBondContact O-N 2.92Å; C1149-W1152 PolarHBondContact O-N 3.14Å; W1152-K1155 PolarHBondContact O-N 3.48Å; W1152-K1155 VanDerWaalsContact O-N 3.14Å; W1152-V1156 HydrophobicContact CD2-CG2 4.44Å; W1152-V1156 HydrophobicContact CH2-CG2 4.47Å; W1152-V1156 HydrophobicContact CZ2-CG2 4.33Å; W1152-V1156 WeakPolarHBondContact O-CG2 3.3Å; W1152-V1156 PolarHBondContact O-N 2.92Å; W1152-L1186 HydrophobicContact CH2-CD1 3.85Å; W1152-L1186 HydrophobicContact CZ3-CD1 3.75Å |
| 1153 | L | 48.8 | Very low | 46.6 | Very low | 61 Ų | 61 | 95.1 Ų | 95.1 | 32% | 0.319 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 173.3 | -70.9 | 169.2 | 0 | 0 | 0 | 112 | C1149 L1150 K1155 V1156 D1157 | C1149-L1153 WeakPolarHBondContact O-CB 3.21Å; C1149-L1153 WeakPolarHBondContact O-CG 3.16Å; C1149-L1153 PolarHBondContact O-N 3.46Å; L1150-L1153 PolarHBondContact O-N 3.5Å; L1153-K1155 VanDerWaalsContact C-N 3.32Å; L1153-K1155 PolarHBondContact O-N 2.86Å; L1153-V1156 PolarHBondContact O-N 2.96Å; L1153-D1157 VanDerWaalsContact O-CB 3.25Å; L1153-D1157 WeakPolarHBondContact O-CB 3.42Å; L1153-D1157 PolarHBondContact O-N 2.56Å |
| 1154 | E | 49.4 | Very low | 46 | Very low | 86 Ų | 86 | 95.3 Ų | 95.3 | 40% | 0.402 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.2 | -32.4 | 172.9 | -77 | -157.1 | 136.7 | 0 | 0 | 112.7 | L1150 D1157 K1158 | L1150-E1154 WeakPolarHBondContact O-CB 3.2Å; L1150-E1154 WeakPolarHBondContact O-CG 3Å; L1150-E1154 PolarHBondContact O-N 3.11Å; E1154-D1157 PolarHBondContact O-N 3.03Å; E1154-K1158 HydrophobicContact CB-CD 4.4Å; E1154-K1158 WeakPolarHBondContact O-CB 3.17Å; E1154-K1158 WeakPolarHBondContact O-CD 3.41Å; E1154-K1158 WeakPolarHBondContact O-CG 3.38Å; E1154-K1158 PolarHBondContact O-N 3.05Å; E1154-K1158 IonicContact OE1-NZ 3.37Å; E1154-K1158 PolarHBondContact OE1-NZ 2.97Å; E1154-K1158 IonicContact OE2-NZ 2.71Å; E1154-K1158 PolarHBondContact OE2-NZ 3.13Å |
| 1155 | K | 48.2 | Very low | 45.2 | Very low | 149 Ų | 149 | 98.4 Ų | 98.4 | 65% | 0.648 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -71.3 | -39.3 | 176.8 | -82.4 | 168 | -176.5 | 173.6 | 0 | 111.3 | T1151 W1152 L1153 A1159 | T1151-K1155 VanDerWaalsContact O-CB 3.27Å; T1151-K1155 WeakPolarHBondContact O-CB 3.3Å; T1151-K1155 WeakPolarHBondContact O-CD 3.28Å; T1151-K1155 WeakPolarHBondContact O-CG 3.33Å; T1151-K1155 PolarHBondContact O-N 3.07Å; W1152-K1155 PolarHBondContact O-N 3.48Å; W1152-K1155 VanDerWaalsContact O-N 3.14Å; L1153-K1155 VanDerWaalsContact C-N 3.32Å; L1153-K1155 PolarHBondContact O-N 2.86Å; K1155-A1159 WeakPolarHBondContact O-CB 3.42Å; K1155-A1159 PolarHBondContact O-N 3.36Å |
| 1156 | V | 49.4 | Very low | 44.6 | Very low | 36 Ų | 36 | 94.8 Ų | 94.8 | 22% | 0.218 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 169.9 | 172.8 | 0 | 0 | 0 | 0 | 109.8 | W1152 L1153 A1159 L1160 | W1152-V1156 HydrophobicContact CD2-CG2 4.44Å; W1152-V1156 HydrophobicContact CH2-CG2 4.47Å; W1152-V1156 HydrophobicContact CZ2-CG2 4.33Å; W1152-V1156 WeakPolarHBondContact O-CG2 3.3Å; W1152-V1156 PolarHBondContact O-N 2.92Å; L1153-V1156 PolarHBondContact O-N 2.96Å; V1156-A1159 PolarHBondContact O-N 2.95Å; V1156-L1160 HydrophobicContact CG1-CD1 3.81Å; V1156-L1160 WeakPolarHBondContact O-CB 3.49Å; V1156-L1160 VanDerWaalsContact O-CG 3.24Å; V1156-L1160 WeakPolarHBondContact O-CG 3.22Å; V1156-L1160 PolarHBondContact O-N 3.35Å |
| 1157 | D | 49.4 | Very low | 44 | Very low | 35 Ų | 35 | 93.7 Ų | 93.7 | 19% | 0.187 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 178.8 | -171 | 40.9 | 0 | 0 | 0 | 113.4 | L1153 E1154 L1160 N1161 K1180 | L1153-D1157 VanDerWaalsContact O-CB 3.25Å; L1153-D1157 WeakPolarHBondContact O-CB 3.42Å; L1153-D1157 PolarHBondContact O-N 2.56Å; E1154-D1157 PolarHBondContact O-N 3.03Å; D1157-L1160 PolarHBondContact O-N 3.26Å; D1157-N1161 WeakPolarHBondContact O-CB 3.36Å; D1157-N1161 PolarHBondContact O-N 3.23Å; D1157-N1161 PolarHBondContact O-ND2 3.48Å; D1157-N1161 PolarHBondContact OD1-ND2 2.93Å; D1157-K1180 VanDerWaalsContact CG-CE 3.42Å; D1157-K1180 WeakPolarHBondContact OD1-CD 3.42Å; D1157-K1180 WeakPolarHBondContact OD1-CE 3.32Å; D1157-K1180 IonicContact OD1-NZ 3.38Å; D1157-K1180 PolarHBondContact OD1-NZ 2.97Å; D1157-K1180 WeakPolarHBondContact OD2-CE 3.12Å; D1157-K1180 IonicContact OD2-NZ 3.88Å; D1157-K1180 PolarHBondContact OD2-NZ 3.37Å |
| 1158 | K | 45.9 | Very low | 43.2 | Very low | 111 Ų | 111 | 96.8 Ų | 96.8 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.5 | -28 | 178.3 | -71.8 | 165.6 | -176.1 | 167.6 | 0 | 112.2 | E1154 Y1162 | E1154-K1158 HydrophobicContact CB-CD 4.4Å; E1154-K1158 WeakPolarHBondContact O-CB 3.17Å; E1154-K1158 WeakPolarHBondContact O-CD 3.41Å; E1154-K1158 WeakPolarHBondContact O-CG 3.38Å; E1154-K1158 PolarHBondContact O-N 3.05Å; E1154-K1158 IonicContact OE1-NZ 3.37Å; E1154-K1158 PolarHBondContact OE1-NZ 2.97Å; E1154-K1158 IonicContact OE2-NZ 2.71Å; E1154-K1158 PolarHBondContact OE2-NZ 3.13Å; K1158-Y1162 PolarHBondContact O-N 3.26Å |
| 1159 | A | 43.7 | Very low | 42.5 | Very low | 41 Ų | 41 | 101 Ų | 101 | 34% | 0.339 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.2 | -34.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1155 V1156 V1203 | K1155-A1159 WeakPolarHBondContact O-CB 3.42Å; K1155-A1159 PolarHBondContact O-N 3.36Å; V1156-A1159 PolarHBondContact O-N 2.95Å; A1159-V1203 HydrophobicContact CB-CG1 3.74Å; A1159-V1203 HydrophobicContact CB-CG2 4.01Å |
| 1160 | L | 42.9 | Very low | 41.8 | Very low | 80 Ų | 80 | 106.1 Ų | 106.1 | 42% | 0.419 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -77.5 | -23.6 | 175.2 | -70.3 | 170.1 | 0 | 0 | 0 | 113.5 | V1156 D1157 P1181 | V1156-L1160 HydrophobicContact CG1-CD1 3.81Å; V1156-L1160 WeakPolarHBondContact O-CB 3.49Å; V1156-L1160 VanDerWaalsContact O-CG 3.24Å; V1156-L1160 WeakPolarHBondContact O-CG 3.22Å; V1156-L1160 PolarHBondContact O-N 3.35Å; D1157-L1160 PolarHBondContact O-N 3.26Å; L1160-P1181 HydrophobicContact CD1-CG 3.91Å |
| 1161 | N | 40.3 | Very low | 41.4 | Very low | 107 Ų | 107 | 104.9 Ų | 104.9 | 57% | 0.572 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 12.1 | -179.8 | -74.3 | -76.3 | 0 | 0 | 0 | 114.7 | D1157 K1163 | D1157-N1161 WeakPolarHBondContact O-CB 3.36Å; D1157-N1161 PolarHBondContact O-N 3.23Å; D1157-N1161 PolarHBondContact O-ND2 3.48Å; D1157-N1161 PolarHBondContact OD1-ND2 2.93Å; N1161-K1163 VanDerWaalsContact C-N 3.3Å; N1161-K1163 PolarHBondContact O-N 2.89Å |
| 1162 | Y | 39.6 | Very low | 40.5 | Very low | 189 Ų | 189 | 109.5 Ų | 109.5 | 74% | 0.741 | 54% | 0.537 | S | S | * | . | trans | -78.8 | 74.6 | -178.2 | -140 | -85.3 | 0 | 0 | 0 | 112.3 | K1158 S1164 | K1158-Y1162 PolarHBondContact O-N 3.26Å; Y1162-S1164 PolarHBondContact O-N 3.03Å | ||
| 1163 | K | 30 | Very low | 39.7 | Very low | 188 Ų | 188 | 112.6 Ų | 112.6 | 82% | 0.817 | 55% | 0.554 | S | S | * | * | trans | -64.4 | 97.8 | 173.1 | -77 | -167.2 | 173.8 | -169.9 | 0 | 111 | N1161 | N1161-K1163 VanDerWaalsContact C-N 3.3Å; N1161-K1163 PolarHBondContact O-N 2.89Å | ||
| 1164 | S | 33 | Very low | 39.1 | Very low | 65 Ų | 65 | 116.3 Ų | 116.3 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | trans | -126.9 | 116.9 | 164.4 | 60.8 | 0 | 0 | 0 | 0 | 110.1 | Y1162 S1166 | Y1162-S1164 PolarHBondContact O-N 3.03Å; S1164-S1166 VanDerWaalsContact C-N 3.29Å; S1164-S1166 PolarHBondContact O-N 3.03Å | ||
| 1165 | N | 30.2 | Very low | 38.5 | Very low | 163 Ų | 163 | 114.9 Ų | 114.9 | 87% | 0.872 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 61 | -160.8 | -62 | 2.1 | 0 | 0 | 0 | 114.3 | ||
| 1166 | S | 35.7 | Very low | 37.9 | Very low | 107 Ų | 107 | 113 Ų | 113 | 75% | 0.748 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.1 | 16.4 | 168.1 | 82.4 | 0 | 0 | 0 | 0 | 115 | S1164 | S1164-S1166 VanDerWaalsContact C-N 3.29Å; S1164-S1166 PolarHBondContact O-N 3.03Å |
| 1167 | V | 35.5 | Very low | 37.3 | Very low | 60 Ų | 60 | 114 Ų | 114 | 36% | 0.364 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -127.6 | -17.8 | -177 | -172.1 | 0 | 0 | 0 | 0 | 113 | E1169 K1170 I1171 | V1167-E1169 PolarHBondContact O-N 3Å; V1167-K1170 PolarHBondContact O-N 3.09Å; V1167-I1171 HydrophobicContact CG1-CD1 3.87Å |
| 1168 | H | 35.3 | Very low | 36.7 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 57% | 0.569 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -60.7 | -43 | -177.4 | -113 | -109.5 | 0 | 0 | 0 | 113.8 | K1170 I1171 E1172 | H1168-K1170 PolarHBondContact O-N 2.97Å; H1168-I1171 PolarHBondContact O-N 3.31Å; H1168-E1172 IonicContact CE1-OE1 2.7Å; H1168-E1172 PolarHBondContact CE1-OE1 2.99Å; H1168-E1172 IonicContact CG-OE1 3.54Å; H1168-E1172 IonicContact ND1-OE1 2.73Å; H1168-E1172 PolarHBondContact ND1-OE1 2.96Å; H1168-E1172 PolarHBondContact O-N 2.94Å |
| 1169 | E | 33.8 | Very low | 36.5 | Very low | 184 Ų | 184 | 116.1 Ų | 116.1 | 86% | 0.86 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -56.4 | -13 | -177.7 | -79.2 | -170.5 | 112.2 | 0 | 0 | 115.7 | V1167 | V1167-E1169 PolarHBondContact O-N 3Š|
| 1170 | K | 34 | Very low | 36.4 | Very low | 190 Ų | 190 | 120.6 Ų | 120.6 | 83% | 0.826 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -110.8 | -6.8 | 175.5 | -74.5 | -173.5 | 176 | 178.5 | 0 | 115 | V1167 H1168 | V1167-K1170 PolarHBondContact O-N 3.09Å; H1168-K1170 PolarHBondContact O-N 2.97Å |
| 1171 | I | 39.1 | Very low | 36.4 | Very low | 76 Ų | 76 | 118.1 Ų | 118.1 | 39% | 0.39 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103 | -35.9 | -177.8 | -63.4 | -177.6 | 0 | 0 | 0 | 111.5 | V1167 H1168 K1173 N1174 I1175 | V1167-I1171 HydrophobicContact CG1-CD1 3.87Å; H1168-I1171 PolarHBondContact O-N 3.31Å; I1171-K1173 PolarHBondContact O-N 2.89Å; I1171-K1173 VanDerWaalsContact O-N 3.1Å; I1171-N1174 PolarHBondContact O-N 3.39Å; I1171-I1175 PolarHBondContact O-N 3.21Å; I1171-I1175 VanDerWaalsContact O-N 3.14Å |
| 1172 | E | 32.7 | Very low | 36.5 | Very low | 128 Ų | 128 | 116.6 Ų | 116.6 | 60% | 0.598 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -21.4 | -178.7 | -82.4 | 169.8 | 174.2 | 0 | 0 | 114.7 | H1168 N1174 | H1168-E1172 IonicContact CE1-OE1 2.7Å; H1168-E1172 PolarHBondContact CE1-OE1 2.99Å; H1168-E1172 IonicContact CG-OE1 3.54Å; H1168-E1172 IonicContact ND1-OE1 2.73Å; H1168-E1172 PolarHBondContact ND1-OE1 2.96Å; H1168-E1172 PolarHBondContact O-N 2.94Å; E1172-N1174 VanDerWaalsContact C-N 3.32Å; E1172-N1174 PolarHBondContact O-N 2.79Å |
| 1173 | K | 36.8 | Very low | 36.6 | Very low | 185 Ų | 185 | 113.6 Ų | 113.6 | 80% | 0.804 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 4.8 | 175.6 | -71.8 | -170.2 | 174.3 | 179.8 | 0 | 115.1 | I1171 | I1171-K1173 PolarHBondContact O-N 2.89Å; I1171-K1173 VanDerWaalsContact O-N 3.1Å |
| 1174 | N | 35.9 | Very low | 37.4 | Very low | 140 Ų | 140 | 108 Ų | 108 | 75% | 0.749 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.3 | -24.6 | 175.1 | -85.7 | -68.1 | 0 | 0 | 0 | 117.5 | I1171 E1172 | I1171-N1174 PolarHBondContact O-N 3.39Å; E1172-N1174 VanDerWaalsContact C-N 3.32Å; E1172-N1174 PolarHBondContact O-N 2.79Å |
| 1175 | I | 37.4 | Very low | 38 | Very low | 55 Ų | 55 | 106.8 Ų | 106.8 | 28% | 0.282 | 56% | 0.564 | S | S | . | * | trans | -135 | 111.2 | -174.1 | -65.8 | -176.3 | 0 | 0 | 0 | 112.4 | I1171 I1177 H1195 | I1171-I1175 PolarHBondContact O-N 3.21Å; I1171-I1175 VanDerWaalsContact O-N 3.14Å; I1175-I1177 HydrophobicContact CG2-CD1 4.17Å; I1175-I1177 HydrophobicContact CG2-CG1 3.93Å; I1175-H1195 HydrophobicContact CD1-CB 4.39Å; I1175-H1195 HydrophobicContact CG2-CB 3.82Å | ||
| 1176 | T | 34.7 | Very low | 38.6 | Very low | 110 Ų | 110 | 101.8 Ų | 101.8 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | trans | -101.8 | 130.2 | 163.9 | 37.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1177 | I | 38.4 | Very low | 39.1 | Very low | 58 Ų | 58 | 98.4 Ų | 98.4 | 30% | 0.297 | 51% | 0.513 | S | S | . | . | trans | -127.2 | 94.4 | 170.8 | -57.8 | 178.1 | 0 | 0 | 0 | 107 | I1175 S1179 H1195 | I1175-I1177 HydrophobicContact CG2-CD1 4.17Å; I1175-I1177 HydrophobicContact CG2-CG1 3.93Å; I1177-S1179 VanDerWaalsContact C-N 3.34Å; I1177-S1179 PolarHBondContact O-N 3.28Å; I1177-H1195 HydrophobicContact CD1-CB 4.09Å; I1177-H1195 HydrophobicContact CG1-CB 4.21Å | ||
| 1178 | T | 35.1 | Very low | 39.5 | Very low | 128 Ų | 128 | 100.5 Ų | 100.5 | 79% | 0.785 | 52% | 0.522 | S | S | * | . | trans | -88.1 | 8 | -167.5 | 49.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1179 | S | 42.3 | Very low | 39.8 | Very low | 61 Ų | 61 | 97 Ų | 97 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -153.2 | 147.1 | 171.7 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | I1177 | I1177-S1179 VanDerWaalsContact C-N 3.34Å; I1177-S1179 PolarHBondContact O-N 3.28Å |
| 1180 | K | 42.7 | Very low | 40.3 | Very low | 136 Ų | 136 | 96.7 Ų | 96.7 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 119.2 | 176.5 | 178.2 | 166.7 | 173.5 | 149.2 | 0 | 109.5 | D1157 T1182 | D1157-K1180 VanDerWaalsContact CG-CE 3.42Å; D1157-K1180 WeakPolarHBondContact OD1-CD 3.42Å; D1157-K1180 WeakPolarHBondContact OD1-CE 3.32Å; D1157-K1180 IonicContact OD1-NZ 3.38Å; D1157-K1180 PolarHBondContact OD1-NZ 2.97Å; D1157-K1180 WeakPolarHBondContact OD2-CE 3.12Å; D1157-K1180 IonicContact OD2-NZ 3.88Å; D1157-K1180 PolarHBondContact OD2-NZ 3.37Å; K1180-T1182 PolarHBondContact O-N 3.17Å; K1180-T1182 VanDerWaalsContact O-N 3.15Å |
| 1181 | P | 42.5 | Very low | 40.7 | Very low | 27 Ų | 27 | 94.8 Ų | 94.8 | 18% | 0.175 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 116.2 | -169.6 | 25.4 | -33.6 | 0 | 0 | 0 | 111.3 | L1160 N1185 | L1160-P1181 HydrophobicContact CD1-CG 3.91Å; P1181-N1185 HydrophobicContact CB-CB 3.88Å |
| 1182 | T | 42.9 | Very low | 41 | Very low | 76 Ų | 76 | 93.9 Ų | 93.9 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 172 | 171 | 76.5 | 0 | 0 | 0 | 0 | 110.6 | K1180 S1184 N1185 L1186 | K1180-T1182 PolarHBondContact O-N 3.17Å; K1180-T1182 VanDerWaalsContact O-N 3.15Å; T1182-S1184 PolarHBondContact O-N 2.85Å; T1182-S1184 WeakPolarHBondContact OG1-CB 3.46Å; T1182-S1184 PolarHBondContact OG1-N 3.35Å; T1182-S1184 VanDerWaalsContact OG1-N 3.08Å; T1182-N1185 WeakPolarHBondContact CB-OD1 3.17Å; T1182-N1185 PolarHBondContact N-OD1 3.19Å; T1182-N1185 WeakPolarHBondContact O-CB 3.22Å; T1182-N1185 PolarHBondContact O-N 3.38Å; T1182-N1185 PolarHBondContact OG1-N 3.31Å; T1182-N1185 PolarHBondContact OG1-OD1 2.86Å; T1182-L1186 PolarHBondContact O-N 3.4Å |
| 1183 | L | 40.6 | Very low | 41.7 | Very low | 126 Ų | 126 | 88.3 Ų | 88.3 | 66% | 0.66 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.9 | -26.8 | 170.7 | -158.6 | 71.1 | 0 | 0 | 0 | 112.1 | L1186 C1187 | L1183-L1186 HydrophobicContact CD1-CD1 4.49Å; L1183-L1186 PolarHBondContact O-N 2.6Å; L1183-C1187 PolarHBondContact O-N 2.72Å |
| 1184 | S | 46.2 | Very low | 42.1 | Very low | 69 Ų | 69 | 81.4 Ų | 81.4 | 48% | 0.483 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.4 | -35.3 | 172.3 | -159 | 0 | 0 | 0 | 0 | 112.5 | T1182 L1186 C1187 D1188 | T1182-S1184 PolarHBondContact O-N 2.85Å; T1182-S1184 WeakPolarHBondContact OG1-CB 3.46Å; T1182-S1184 PolarHBondContact OG1-N 3.35Å; T1182-S1184 VanDerWaalsContact OG1-N 3.08Å; S1184-L1186 PolarHBondContact O-N 3.37Å; S1184-C1187 CarbonylContact O-C 3.24Å; S1184-C1187 VanDerWaalsContact O-CA 3.25Å; S1184-C1187 WeakPolarHBondContact O-CA 3.42Å; S1184-C1187 VanDerWaalsContact O-CB 3.28Å; S1184-C1187 WeakPolarHBondContact O-CB 3.23Å; S1184-C1187 PolarHBondContact O-N 2.82Å; S1184-D1188 PolarHBondContact O-N 3.28Å |
| 1185 | N | 47.5 | Very low | 42.7 | Very low | 41 Ų | 41 | 77.4 Ų | 77.4 | 22% | 0.219 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.8 | -25.3 | 176 | -60.6 | 65.6 | 0 | 0 | 0 | 112.1 | P1181 T1182 C1187 Q1192 | P1181-N1185 HydrophobicContact CB-CB 3.88Å; T1182-N1185 WeakPolarHBondContact CB-OD1 3.17Å; T1182-N1185 PolarHBondContact N-OD1 3.19Å; T1182-N1185 WeakPolarHBondContact O-CB 3.22Å; T1182-N1185 PolarHBondContact O-N 3.38Å; T1182-N1185 PolarHBondContact OG1-N 3.31Å; T1182-N1185 PolarHBondContact OG1-OD1 2.86Å; N1185-C1187 VanDerWaalsContact C-N 3.32Å; N1185-Q1192 PolarHBondContact ND2-OE1 3.35Å |
| 1186 | L | 42.3 | Very low | 43.2 | Very low | 58 Ų | 58 | 76 Ų | 76 | 30% | 0.304 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -77 | -19.8 | 168.3 | -71.6 | 166 | 0 | 0 | 0 | 112.2 | W1152 T1182 L1183 S1184 V1196 K1241 | W1152-L1186 HydrophobicContact CH2-CD1 3.85Å; W1152-L1186 HydrophobicContact CZ3-CD1 3.75Å; T1182-L1186 PolarHBondContact O-N 3.4Å; L1183-L1186 HydrophobicContact CD1-CD1 4.49Å; L1183-L1186 PolarHBondContact O-N 2.6Å; S1184-L1186 PolarHBondContact O-N 3.37Å; L1186-V1196 HydrophobicContact CD2-CG1 4.48Å; L1186-K1241 PolarHBondContact O-NZ 3.1Å |
| 1187 | C | 45.9 | Very low | 44.1 | Very low | 36 Ų | 36 | 70.8 Ų | 70.8 | 24% | 0.243 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -80.4 | -35.5 | 169.5 | -74.1 | 0 | 0 | 0 | 0 | 113.2 | L1183 S1184 N1185 L1189 K1241 | L1183-C1187 PolarHBondContact O-N 2.72Å; S1184-C1187 CarbonylContact O-C 3.24Å; S1184-C1187 VanDerWaalsContact O-CA 3.25Å; S1184-C1187 WeakPolarHBondContact O-CA 3.42Å; S1184-C1187 VanDerWaalsContact O-CB 3.28Å; S1184-C1187 WeakPolarHBondContact O-CB 3.23Å; S1184-C1187 PolarHBondContact O-N 2.82Å; N1185-C1187 VanDerWaalsContact C-N 3.32Å; C1187-L1189 PolarHBondContact O-N 2.84Å; C1187-K1241 VanDerWaalsContact C-NZ 3.29Å; C1187-K1241 HydrophobicContact CB-CG 4.29Å; C1187-K1241 VanDerWaalsContact O-CD 3.29Å; C1187-K1241 WeakPolarHBondContact O-CD 3.25Å; C1187-K1241 VanDerWaalsContact O-CE 3.28Å; C1187-K1241 WeakPolarHBondContact O-CE 3.26Å; C1187-K1241 PolarHBondContact O-NZ 2.93Å |
| 1188 | D | 44.6 | Very low | 44.6 | Very low | 104 Ų | 104 | 70.5 Ų | 70.5 | 56% | 0.556 | 39% | 0.391 | S | S | * | . | trans | -79.7 | 87.5 | 177.9 | -69.9 | -52 | 0 | 0 | 0 | 113.2 | S1184 Q1190 | S1184-D1188 PolarHBondContact O-N 3.28Å; D1188-Q1190 VanDerWaalsContact C-N 3.33Å; D1188-Q1190 PolarHBondContact O-N 3.27Å | ||
| 1189 | L | 41.7 | Very low | 45.3 | Very low | 50 Ų | 50 | 65.9 Ų | 65.9 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -15.9 | -169.3 | -123.4 | 169.4 | 0 | 0 | 0 | 115.1 | C1187 L1222 K1241 | C1187-L1189 PolarHBondContact O-N 2.84Å; L1189-L1222 HydrophobicContact CD2-CD2 3.98Å; L1189-K1241 HydrophobicContact CD1-CD 4.45Å |
| 1190 | Q | 43.4 | Very low | 45.7 | Very low | 176 Ų | 176 | 64.6 Ų | 64.6 | 82% | 0.822 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -15.4 | -153.6 | -145.8 | 170.7 | 13 | 0 | 0 | 116 | D1188 | D1188-Q1190 VanDerWaalsContact C-N 3.33Å; D1188-Q1190 PolarHBondContact O-N 3.27Å |
| 1191 | I | 42.5 | Very low | 46.2 | Very low | 151 Ų | 151 | 58.6 Ų | 58.6 | 77% | 0.774 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.3 | -31.4 | -174.8 | -60.6 | -178.2 | 0 | 0 | 0 | 113.9 | ||
| 1192 | Q | 45.4 | Very low | 46.5 | Very low | 57 Ų | 57 | 65.5 Ų | 65.5 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -107.9 | -5.3 | -179.9 | -68.5 | -176.7 | -17.1 | 0 | 0 | 114.3 | N1185 S1194 H1195 V1196 | N1185-Q1192 PolarHBondContact ND2-OE1 3.35Å; Q1192-S1194 PolarHBondContact O-N 3.05Å; Q1192-H1195 PolarHBondContact O-N 2.8Å; Q1192-V1196 PolarHBondContact O-N 3.14Å; Q1192-V1196 VanDerWaalsContact O-N 3.1Å |
| 1193 | G | 46.1 | Very low | 46.9 | Very low | 10 Ų | 10 | 66.1 Ų | 66.1 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60 | -37 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1197 | G1193-A1197 WeakPolarHBondContact O-CB 3.3Å; G1193-A1197 PolarHBondContact O-N 2.79Å |
| 1194 | S | 46.8 | Very low | 47.1 | Very low | 40 Ų | 40 | 64.9 Ų | 64.9 | 28% | 0.28 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 176.7 | 48 | 0 | 0 | 0 | 0 | 112.5 | Q1192 A1197 S1198 | Q1192-S1194 PolarHBondContact O-N 3.05Å; S1194-A1197 PolarHBondContact O-N 2.69Å; S1194-S1198 WeakPolarHBondContact O-CB 3.34Å; S1194-S1198 PolarHBondContact O-N 2.7Å; S1194-S1198 PolarHBondContact O-OG 3.16Å; S1194-S1198 VanDerWaalsContact O-OG 3.12Å |
| 1195 | H | 47.2 | Very low | 47.3 | Very low | 56 Ų | 56 | 68.4 Ų | 68.4 | 26% | 0.259 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.3 | -39.2 | -176.7 | -64 | 179.1 | 0 | 0 | 0 | 111 | I1175 I1177 Q1192 A1199 | I1175-H1195 HydrophobicContact CD1-CB 4.39Å; I1175-H1195 HydrophobicContact CG2-CB 3.82Å; I1177-H1195 HydrophobicContact CD1-CB 4.09Å; I1177-H1195 HydrophobicContact CG1-CB 4.21Å; Q1192-H1195 PolarHBondContact O-N 2.8Å; H1195-A1199 VanDerWaalsContact O-CB 3.26Å; H1195-A1199 WeakPolarHBondContact O-CB 3.31Å; H1195-A1199 PolarHBondContact O-N 3.31Å |
| 1196 | V | 49.1 | Very low | 47.6 | Very low | 27 Ų | 27 | 69.1 Ų | 69.1 | 16% | 0.164 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.7 | -42 | 172.5 | 176 | 0 | 0 | 0 | 0 | 111.4 | L1186 Q1192 A1199 I1200 | L1186-V1196 HydrophobicContact CD2-CG1 4.48Å; Q1192-V1196 PolarHBondContact O-N 3.14Å; Q1192-V1196 VanDerWaalsContact O-N 3.1Å; V1196-A1199 PolarHBondContact O-N 3Å; V1196-I1200 HydrophobicContact CG1-CD1 3.74Å; V1196-I1200 HydrophobicContact CG1-CG1 4.46Å; V1196-I1200 WeakPolarHBondContact O-CB 3.24Å; V1196-I1200 VanDerWaalsContact O-CG1 3.24Å; V1196-I1200 WeakPolarHBondContact O-CG1 3.38Å; V1196-I1200 PolarHBondContact O-N 3.42Å |
| 1197 | A | 52.4 | Low | 47.7 | Very low | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1193 S1194 I1200 A1201 L1221 L1222 | G1193-A1197 WeakPolarHBondContact O-CB 3.3Å; G1193-A1197 PolarHBondContact O-N 2.79Å; S1194-A1197 PolarHBondContact O-N 2.69Å; A1197-I1200 PolarHBondContact O-N 3.08Å; A1197-A1201 WeakPolarHBondContact O-CB 3.16Å; A1197-A1201 PolarHBondContact O-N 2.72Å; A1197-L1221 HydrophobicContact CB-CB 4.29Å; A1197-L1221 HydrophobicContact CB-CD2 3.91Å; A1197-L1221 HydrophobicContact CB-CG 4.27Å; A1197-L1222 HydrophobicContact CB-CB 4.03Å; A1197-L1222 HydrophobicContact CB-CD1 3.85Å |
| 1198 | S | 49.6 | Very low | 47.5 | Very low | 52 Ų | 52 | 77 Ų | 77 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 176.3 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | S1194 I1200 A1201 Y1202 | S1194-S1198 WeakPolarHBondContact O-CB 3.34Å; S1194-S1198 PolarHBondContact O-N 2.7Å; S1194-S1198 PolarHBondContact O-OG 3.16Å; S1194-S1198 VanDerWaalsContact O-OG 3.12Å; S1198-I1200 PolarHBondContact O-N 3.34Å; S1198-A1201 PolarHBondContact O-N 3.49Å; S1198-Y1202 VanDerWaalsContact O-CB 3.31Å; S1198-Y1202 WeakPolarHBondContact O-CB 3.3Å; S1198-Y1202 PolarHBondContact O-N 2.85Å |
| 1199 | A | 50 | Low | 47.5 | Very low | 31 Ų | 31 | 78.8 Ų | 78.8 | 26% | 0.256 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H1195 V1196 Y1202 V1203 | H1195-A1199 VanDerWaalsContact O-CB 3.26Å; H1195-A1199 WeakPolarHBondContact O-CB 3.31Å; H1195-A1199 PolarHBondContact O-N 3.31Å; V1196-A1199 PolarHBondContact O-N 3Å; A1199-Y1202 PolarHBondContact O-N 3.08Å; A1199-V1203 VanDerWaalsContact O-CB 3.28Å; A1199-V1203 WeakPolarHBondContact O-CB 3.21Å; A1199-V1203 WeakPolarHBondContact O-CG2 3.28Å; A1199-V1203 PolarHBondContact O-N 2.87Å |
| 1200 | I | 50.5 | Low | 47.5 | Very low | 34 Ų | 34 | 79.2 Ų | 79.2 | 17% | 0.174 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65 | -44.8 | 176.1 | -68.8 | 168.3 | 0 | 0 | 0 | 111.1 | V1196 A1197 S1198 Y1202 V1203 M1204 V1225 | V1196-I1200 HydrophobicContact CG1-CD1 3.74Å; V1196-I1200 HydrophobicContact CG1-CG1 4.46Å; V1196-I1200 WeakPolarHBondContact O-CB 3.24Å; V1196-I1200 VanDerWaalsContact O-CG1 3.24Å; V1196-I1200 WeakPolarHBondContact O-CG1 3.38Å; V1196-I1200 PolarHBondContact O-N 3.42Å; A1197-I1200 PolarHBondContact O-N 3.08Å; S1198-I1200 PolarHBondContact O-N 3.34Å; I1200-Y1202 VanDerWaalsContact C-N 3.32Å; I1200-Y1202 PolarHBondContact O-N 3.22Å; I1200-V1203 PolarHBondContact O-N 3.39Å; I1200-M1204 HydrophobicContact CG2-CG 4.2Å; I1200-M1204 HydrophobicContact CG2-SD 4.17Å; I1200-M1204 VanDerWaalsContact O-CB 3.3Å; I1200-M1204 WeakPolarHBondContact O-CB 3.14Å; I1200-M1204 VanDerWaalsContact O-CG 3.27Å; I1200-M1204 WeakPolarHBondContact O-CG 3.32Å; I1200-M1204 PolarHBondContact O-N 2.71Å; I1200-V1225 HydrophobicContact CG2-CG1 3.92Å |
| 1201 | A | 52.8 | Low | 47.4 | Very low | 10 Ų | 10 | 74.8 Ų | 74.8 | 8% | 0.083 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1197 S1198 N1205 I1206 Y1211 | A1197-A1201 WeakPolarHBondContact O-CB 3.16Å; A1197-A1201 PolarHBondContact O-N 2.72Å; S1198-A1201 PolarHBondContact O-N 3.49Å; A1201-N1205 PolarHBondContact O-N 3.23Å; A1201-I1206 HydrophobicContact CB-CD1 4.29Å; A1201-I1206 PolarHBondContact O-N 2.94Å; A1201-Y1211 HydrophobicContact CB-CE2 4.48Å |
| 1202 | Y | 49.8 | Very low | 47.1 | Very low | 172 Ų | 172 | 72.3 Ų | 72.3 | 68% | 0.675 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.5 | -50.5 | 175.8 | -172.2 | -102.8 | 0 | 0 | 0 | 111.8 | S1198 A1199 I1200 M1204 N1205 | S1198-Y1202 VanDerWaalsContact O-CB 3.31Å; S1198-Y1202 WeakPolarHBondContact O-CB 3.3Å; S1198-Y1202 PolarHBondContact O-N 2.85Å; A1199-Y1202 PolarHBondContact O-N 3.08Å; I1200-Y1202 VanDerWaalsContact C-N 3.32Å; I1200-Y1202 PolarHBondContact O-N 3.22Å; Y1202-M1204 VanDerWaalsContact C-N 3.28Å; Y1202-M1204 PolarHBondContact O-N 2.74Å; Y1202-N1205 PolarHBondContact O-N 3.33Å |
| 1203 | V | 50.1 | Low | 46.7 | Very low | 88 Ų | 88 | 73.4 Ų | 73.4 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.2 | -31.9 | 178.4 | 168 | 0 | 0 | 0 | 0 | 112.4 | A1159 A1199 I1200 N1205 | A1159-V1203 HydrophobicContact CB-CG1 3.74Å; A1159-V1203 HydrophobicContact CB-CG2 4.01Å; A1199-V1203 VanDerWaalsContact O-CB 3.28Å; A1199-V1203 WeakPolarHBondContact O-CB 3.21Å; A1199-V1203 WeakPolarHBondContact O-CG2 3.28Å; A1199-V1203 PolarHBondContact O-N 2.87Å; I1200-V1203 PolarHBondContact O-N 3.39Å; V1203-N1205 VanDerWaalsContact C-N 3.3Å |
| 1204 | M | 46 | Very low | 46.1 | Very low | 101 Ų | 101 | 80.8 Ų | 80.8 | 50% | 0.498 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 7.2 | 176.3 | -61 | -154.2 | 81 | 0 | 0 | 114.1 | I1200 Y1202 I1206 | I1200-M1204 HydrophobicContact CG2-CG 4.2Å; I1200-M1204 HydrophobicContact CG2-SD 4.17Å; I1200-M1204 VanDerWaalsContact O-CB 3.3Å; I1200-M1204 WeakPolarHBondContact O-CB 3.14Å; I1200-M1204 VanDerWaalsContact O-CG 3.27Å; I1200-M1204 WeakPolarHBondContact O-CG 3.32Å; I1200-M1204 PolarHBondContact O-N 2.71Å; Y1202-M1204 VanDerWaalsContact C-N 3.28Å; Y1202-M1204 PolarHBondContact O-N 2.74Å; M1204-I1206 VanDerWaalsContact C-N 3.32Å; M1204-I1206 HydrophobicContact CB-CG1 4.34Å; M1204-I1206 PolarHBondContact O-N 3.34Å |
| 1205 | N | 50.4 | Low | 45.5 | Very low | 143 Ų | 143 | 87.5 Ų | 87.5 | 77% | 0.765 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 42.6 | 171.8 | -159.3 | 10.6 | 0 | 0 | 0 | 113.6 | A1201 Y1202 V1203 | A1201-N1205 PolarHBondContact O-N 3.23Å; Y1202-N1205 PolarHBondContact O-N 3.33Å; V1203-N1205 VanDerWaalsContact C-N 3.3Å |
| 1206 | I | 52.7 | Low | 45 | Very low | 56 Ų | 56 | 91.2 Ų | 91.2 | 29% | 0.287 | 49% | 0.486 | S | S | . | . | trans | -76.2 | 123.7 | 177.9 | -55.8 | 178.9 | 0 | 0 | 0 | 108.4 | A1201 M1204 E1208 A1210 Y1211 | A1201-I1206 HydrophobicContact CB-CD1 4.29Å; A1201-I1206 PolarHBondContact O-N 2.94Å; M1204-I1206 VanDerWaalsContact C-N 3.32Å; M1204-I1206 HydrophobicContact CB-CG1 4.34Å; M1204-I1206 PolarHBondContact O-N 3.34Å; I1206-E1208 PolarHBondContact O-N 3.47Å; I1206-A1210 HydrophobicContact CG2-CB 4.45Å; I1206-Y1211 HydrophobicContact CB-CE2 4.08Å; I1206-Y1211 WeakPolarHBondContact CD1-OH 3.33Å; I1206-Y1211 HydrophobicContact CG2-CE2 3.65Å | ||
| 1207 | P | 45.1 | Very low | 44.7 | Very low | 91 Ų | 91 | 93.8 Ų | 93.8 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | trans | -59.9 | 133.9 | -172.5 | -26.2 | 34.7 | 0 | 0 | 0 | 113.9 | N1209 A1210 | P1207-N1209 PolarHBondContact O-N 3.28Å; P1207-A1210 VanDerWaalsContact O-CB 3.3Å; P1207-A1210 WeakPolarHBondContact O-CB 3.35Å; P1207-A1210 PolarHBondContact O-N 2.69Å | ||
| 1208 | E | 40.5 | Very low | 44.2 | Very low | 169 Ų | 169 | 97.3 Ų | 97.3 | 79% | 0.79 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -52.2 | -34.4 | -177.1 | -61.2 | 179.9 | 131.8 | 0 | 0 | 113.4 | I1206 A1210 Y1211 | I1206-E1208 PolarHBondContact O-N 3.47Å; E1208-A1210 PolarHBondContact O-N 2.93Å; E1208-Y1211 PolarHBondContact O-N 2.92Å |
| 1209 | N | 44.7 | Very low | 44.1 | Very low | 140 Ų | 140 | 98.6 Ų | 98.6 | 75% | 0.749 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -61.9 | -11.5 | 177.5 | -64.6 | -17.9 | 0 | 0 | 0 | 114.4 | P1207 | P1207-N1209 PolarHBondContact O-N 3.28Š|
| 1210 | A | 43.6 | Very low | 44 | Very low | 60 Ų | 60 | 98 Ų | 98 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -79.4 | -22 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1206 P1207 E1208 | I1206-A1210 HydrophobicContact CG2-CB 4.45Å; P1207-A1210 VanDerWaalsContact O-CB 3.3Å; P1207-A1210 WeakPolarHBondContact O-CB 3.35Å; P1207-A1210 PolarHBondContact O-N 2.69Å; E1208-A1210 PolarHBondContact O-N 2.93Å |
| 1211 | Y | 39.8 | Very low | 43.9 | Very low | 82 Ų | 82 | 98.2 Ų | 98.2 | 32% | 0.322 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -23.5 | -172 | -65.6 | -70.7 | 0 | 0 | 0 | 113.9 | A1201 I1206 E1208 S1213 L1221 | A1201-Y1211 HydrophobicContact CB-CE2 4.48Å; I1206-Y1211 HydrophobicContact CB-CE2 4.08Å; I1206-Y1211 WeakPolarHBondContact CD1-OH 3.33Å; I1206-Y1211 HydrophobicContact CG2-CE2 3.65Å; E1208-Y1211 PolarHBondContact O-N 2.92Å; Y1211-S1213 PolarHBondContact O-N 2.99Å; Y1211-L1221 HydrophobicContact CD1-CD1 3.76Å; Y1211-L1221 HydrophobicContact CE1-CD1 3.49Å; Y1211-L1221 VanDerWaalsContact CE1-CD1 3.49Å |
| 1212 | S | 37.3 | Very low | 43.8 | Very low | 99 Ų | 99 | 98.7 Ų | 98.7 | 69% | 0.692 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 13.5 | -172 | 65.8 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1213 | S | 35.6 | Very low | 43.8 | Very low | 81 Ų | 81 | 93.1 Ų | 93.1 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.3 | -3 | -173.4 | 57.8 | 0 | 0 | 0 | 0 | 116.1 | Y1211 | Y1211-S1213 PolarHBondContact O-N 2.99Š|
| 1214 | Y | 33.9 | Very low | 43.9 | Very low | 165 Ų | 165 | 91.3 Ų | 91.3 | 65% | 0.647 | 50% | 0.497 | S | S | * | . | trans | -137.3 | 117.4 | 178.9 | -71.3 | -86.4 | 0 | 0 | 0 | 111.9 | F1216 | Y1214-F1216 VanDerWaalsContact CB-CD2 3.5Å; Y1214-F1216 HydrophobicContact CD1-CE2 4.39Å; Y1214-F1216 AromaticContact CG-CE2 3.95Å; Y1214-F1216 HydrophobicContact CG-CE2 3.95Å; Y1214-F1216 PolarHBondContact O-N 3.37Å; Y1214-F1216 VanDerWaalsContact O-N 3.13Å | ||
| 1215 | N | 33.7 | Very low | 44.2 | Very low | 181 Ų | 181 | 87.2 Ų | 87.2 | 97% | 0.968 | 48% | 0.478 | S | S | * | . | trans | -66.6 | 108.8 | 169 | -88.6 | -7.8 | 0 | 0 | 0 | 109.5 | ||||
| 1216 | F | 37.8 | Very low | 44.2 | Very low | 133 Ų | 133 | 82.3 Ų | 82.3 | 58% | 0.583 | 45% | 0.452 | S | S | * | . | trans | -125.3 | 139.4 | -176.8 | -90.7 | -52.9 | 0 | 0 | 0 | 111.1 | Y1214 S1220 | Y1214-F1216 VanDerWaalsContact CB-CD2 3.5Å; Y1214-F1216 HydrophobicContact CD1-CE2 4.39Å; Y1214-F1216 AromaticContact CG-CE2 3.95Å; Y1214-F1216 HydrophobicContact CG-CE2 3.95Å; Y1214-F1216 PolarHBondContact O-N 3.37Å; Y1214-F1216 VanDerWaalsContact O-N 3.13Å; F1216-S1220 VanDerWaalsContact CB-OG 3.27Å; F1216-S1220 WeakPolarHBondContact CB-OG 3.05Å; F1216-S1220 WeakPolarHBondContact CD1-OG 3.39Å | ||
| 1217 | S | 42.6 | Very low | 44.1 | Very low | 82 Ų | 82 | 82 Ų | 82 | 57% | 0.573 | 45% | 0.454 | S | S | * | . | trans | -78.8 | 158.7 | 176.6 | 60.5 | 0 | 0 | 0 | 0 | 111.4 | H1219 S1220 | S1217-H1219 PolarHBondContact O-N 2.78Å; S1217-S1220 PolarHBondContact N-OG 3.34Å; S1217-S1220 PolarHBondContact O-N 2.89Å; S1217-S1220 PolarHBondContact O-OG 3.36Å | ||
| 1218 | S | 40.9 | Very low | 44.4 | Very low | 74 Ų | 74 | 83.7 Ų | 83.7 | 52% | 0.517 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -52.8 | -31.6 | -172.9 | 46.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1219 | H | 47.6 | Very low | 44.8 | Very low | 78 Ų | 78 | 82 Ų | 82 | 36% | 0.361 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.9 | -49.2 | 172.4 | -88.1 | -93.6 | 0 | 0 | 0 | 112.7 | S1217 L1221 L1222 D1223 | S1217-H1219 PolarHBondContact O-N 2.78Å; H1219-L1221 PolarHBondContact O-N 2.94Å; H1219-L1221 VanDerWaalsContact O-N 3.16Å; H1219-L1222 PolarHBondContact O-N 3.43Å; H1219-D1223 PolarHBondContact O-N 3.28Å; H1219-D1223 VanDerWaalsContact O-N 3.11Å |
| 1220 | S | 49 | Very low | 45 | Very low | 20 Ų | 20 | 77.6 Ų | 77.6 | 14% | 0.14 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.5 | -19.5 | -169.8 | 58.9 | 0 | 0 | 0 | 0 | 114.5 | F1216 S1217 T1224 | F1216-S1220 VanDerWaalsContact CB-OG 3.27Å; F1216-S1220 WeakPolarHBondContact CB-OG 3.05Å; F1216-S1220 WeakPolarHBondContact CD1-OG 3.39Å; S1217-S1220 PolarHBondContact N-OG 3.34Å; S1217-S1220 PolarHBondContact O-N 2.89Å; S1217-S1220 PolarHBondContact O-OG 3.36Å; S1220-T1224 WeakPolarHBondContact O-CB 3.5Å; S1220-T1224 PolarHBondContact O-N 2.88Å; S1220-T1224 PolarHBondContact O-OG1 2.9Å |
| 1221 | L | 49.1 | Very low | 45.1 | Very low | 38 Ų | 38 | 83.4 Ų | 83.4 | 20% | 0.199 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.1 | -46.9 | 174.3 | -158.6 | 75.9 | 0 | 0 | 0 | 111.2 | A1197 Y1211 H1219 T1224 V1225 | A1197-L1221 HydrophobicContact CB-CB 4.29Å; A1197-L1221 HydrophobicContact CB-CD2 3.91Å; A1197-L1221 HydrophobicContact CB-CG 4.27Å; Y1211-L1221 HydrophobicContact CD1-CD1 3.76Å; Y1211-L1221 HydrophobicContact CE1-CD1 3.49Å; Y1211-L1221 VanDerWaalsContact CE1-CD1 3.49Å; H1219-L1221 PolarHBondContact O-N 2.94Å; H1219-L1221 VanDerWaalsContact O-N 3.16Å; L1221-T1224 PolarHBondContact O-N 2.9Å; L1221-V1225 WeakPolarHBondContact O-CG2 3.42Å; L1221-V1225 PolarHBondContact O-N 2.94Å |
| 1222 | L | 49.1 | Very low | 45.4 | Very low | 19 Ų | 19 | 86.2 Ų | 86.2 | 10% | 0.099 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -70.7 | -40.7 | 177.5 | -164.7 | 71 | 0 | 0 | 0 | 111 | L1189 A1197 H1219 T1224 V1225 L1226 | L1189-L1222 HydrophobicContact CD2-CD2 3.98Å; A1197-L1222 HydrophobicContact CB-CB 4.03Å; A1197-L1222 HydrophobicContact CB-CD1 3.85Å; H1219-L1222 PolarHBondContact O-N 3.43Å; L1222-T1224 VanDerWaalsContact C-N 3.26Å; L1222-T1224 PolarHBondContact O-N 2.69Å; L1222-V1225 PolarHBondContact O-N 3Å; L1222-L1226 HydrophobicContact CD2-CD1 4.32Å; L1222-L1226 HydrophobicContact CG-CD1 3.93Å; L1222-L1226 HydrophobicContact CG-CG 4.38Å; L1222-L1226 WeakPolarHBondContact O-CB 3.09Å; L1222-L1226 WeakPolarHBondContact O-CG 3.38Å; L1222-L1226 PolarHBondContact O-N 2.87Å |
| 1223 | D | 50.6 | Low | 45.9 | Very low | 55 Ų | 55 | 85.5 Ų | 85.5 | 29% | 0.294 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | 174.7 | -63.9 | -28 | 0 | 0 | 0 | 111.7 | H1219 S1227 L1234 | H1219-D1223 PolarHBondContact O-N 3.28Å; H1219-D1223 VanDerWaalsContact O-N 3.11Å; D1223-S1227 WeakPolarHBondContact O-CB 3.24Å; D1223-S1227 PolarHBondContact O-N 2.86Å; D1223-S1227 PolarHBondContact O-OG 3.49Å; D1223-L1234 HydrophobicContact CB-CD2 4.17Å |
| 1224 | T | 52.4 | Low | 46.6 | Very low | 50 Ų | 50 | 83.5 Ų | 83.5 | 31% | 0.307 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.7 | -50.5 | 174.5 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | S1220 L1221 L1222 L1226 S1227 I1228 | S1220-T1224 WeakPolarHBondContact O-CB 3.5Å; S1220-T1224 PolarHBondContact O-N 2.88Å; S1220-T1224 PolarHBondContact O-OG1 2.9Å; L1221-T1224 PolarHBondContact O-N 2.9Å; L1222-T1224 VanDerWaalsContact C-N 3.26Å; L1222-T1224 PolarHBondContact O-N 2.69Å; T1224-L1226 VanDerWaalsContact C-N 3.34Å; T1224-L1226 PolarHBondContact O-N 3.43Å; T1224-S1227 PolarHBondContact O-N 2.91Å; T1224-S1227 PolarHBondContact O-OG 3.04Å; T1224-I1228 HydrophobicContact CG2-CD1 3.78Å; T1224-I1228 WeakPolarHBondContact O-CB 3.12Å; T1224-I1228 WeakPolarHBondContact O-CD1 3.5Å; T1224-I1228 WeakPolarHBondContact O-CG1 3.08Å; T1224-I1228 PolarHBondContact O-N 3.12Å |
| 1225 | V | 51.1 | Low | 47.4 | Very low | 15 Ų | 15 | 81.2 Ų | 81.2 | 9% | 0.091 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 178.7 | 169.9 | 0 | 0 | 0 | 0 | 111.8 | I1200 L1221 L1222 | I1200-V1225 HydrophobicContact CG2-CG1 3.92Å; L1221-V1225 WeakPolarHBondContact O-CG2 3.42Å; L1221-V1225 PolarHBondContact O-N 2.94Å; L1222-V1225 PolarHBondContact O-N 3Å |
| 1226 | L | 51.2 | Low | 48.3 | Very low | 41 Ų | 41 | 74 Ų | 74 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72.1 | -39.3 | 178.5 | -70.6 | 173.6 | 0 | 0 | 0 | 112.7 | L1222 T1224 I1228 Q1229 S1230 L1233 L1234 | L1222-L1226 HydrophobicContact CD2-CD1 4.32Å; L1222-L1226 HydrophobicContact CG-CD1 3.93Å; L1222-L1226 HydrophobicContact CG-CG 4.38Å; L1222-L1226 WeakPolarHBondContact O-CB 3.09Å; L1222-L1226 WeakPolarHBondContact O-CG 3.38Å; L1222-L1226 PolarHBondContact O-N 2.87Å; T1224-L1226 VanDerWaalsContact C-N 3.34Å; T1224-L1226 PolarHBondContact O-N 3.43Å; L1226-I1228 VanDerWaalsContact C-N 3.32Å; L1226-I1228 PolarHBondContact O-N 2.95Å; L1226-Q1229 PolarHBondContact O-N 3.2Å; L1226-S1230 CarbonylContact O-C 3.59Å; L1226-S1230 PolarHBondContact O-N 3.37Å; L1226-L1233 HydrophobicContact CD2-CD2 4.34Å; L1226-L1234 HydrophobicContact CB-CD1 3.89Å; L1226-L1234 HydrophobicContact CD1-CD1 3.76Å; L1226-L1234 HydrophobicContact CG-CD1 4.5Å |
| 1227 | S | 51.4 | Low | 49.1 | Very low | 49 Ų | 49 | 70.1 Ų | 70.1 | 34% | 0.343 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.4 | -22.9 | 178.1 | 63.1 | 0 | 0 | 0 | 0 | 114 | D1223 T1224 | D1223-S1227 WeakPolarHBondContact O-CB 3.24Å; D1223-S1227 PolarHBondContact O-N 2.86Å; D1223-S1227 PolarHBondContact O-OG 3.49Å; T1224-S1227 PolarHBondContact O-N 2.91Å; T1224-S1227 PolarHBondContact O-OG 3.04Å |
| 1228 | I | 51.4 | Low | 49.8 | Very low | 126 Ų | 126 | 69.9 Ų | 69.9 | 65% | 0.646 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.4 | -35.1 | 170.8 | -75.5 | 166.3 | 0 | 0 | 0 | 111.9 | T1224 L1226 | T1224-I1228 HydrophobicContact CG2-CD1 3.78Å; T1224-I1228 WeakPolarHBondContact O-CB 3.12Å; T1224-I1228 WeakPolarHBondContact O-CD1 3.5Å; T1224-I1228 WeakPolarHBondContact O-CG1 3.08Å; T1224-I1228 PolarHBondContact O-N 3.12Å; L1226-I1228 VanDerWaalsContact C-N 3.32Å; L1226-I1228 PolarHBondContact O-N 2.95Å |
| 1229 | Q | 47.7 | Very low | 50.5 | Low | 133 Ų | 133 | 69.5 Ų | 69.5 | 62% | 0.621 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -100.1 | -36.4 | -178.8 | -66.7 | -165.1 | 2.3 | 0 | 0 | 114.4 | L1226 | L1226-Q1229 PolarHBondContact O-N 3.2Å |
| 1230 | S | 49.6 | Very low | 51.1 | Low | 49 Ų | 49 | 66.7 Ų | 66.7 | 34% | 0.343 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -159.8 | 98.5 | 172.6 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | L1226 H1232 L1233 L1234 | L1226-S1230 CarbonylContact O-C 3.59Å; L1226-S1230 PolarHBondContact O-N 3.37Å; S1230-H1232 PolarHBondContact O-N 3.41Å; S1230-H1232 VanDerWaalsContact O-N 3.16Å; S1230-L1233 WeakPolarHBondContact O-CB 3.4Å; S1230-L1233 PolarHBondContact O-N 2.89Å; S1230-L1233 PolarHBondContact OG-N 2.87Å; S1230-L1234 PolarHBondContact O-N 2.97Å |
| 1231 | R | 45.7 | Very low | 51.6 | Low | 182 Ų | 182 | 66.9 Ų | 66.9 | 69% | 0.687 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -52.6 | -34 | 169.1 | -180 | 176.8 | -76.6 | 156 | -4.4 | 112.4 | L1234 E1235 | R1231-L1234 PolarHBondContact O-N 2.84Å; R1231-E1235 PolarHBondContact O-N 3.34Å |
| 1232 | H | 46.7 | Very low | 52.5 | Low | 140 Ų | 140 | 69.9 Ų | 69.9 | 65% | 0.648 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -71.5 | -30.8 | -179.9 | -148.3 | 29.5 | 0 | 0 | 0 | 112.5 | S1230 L1234 E1235 T1236 | S1230-H1232 PolarHBondContact O-N 3.41Å; S1230-H1232 VanDerWaalsContact O-N 3.16Å; H1232-L1234 VanDerWaalsContact C-N 3.34Å; H1232-E1235 IonicContact ND1-OE2 3.5Å; H1232-T1236 WeakPolarHBondContact O-CB 3.42Å; H1232-T1236 PolarHBondContact O-N 3.4Å; H1232-T1236 PolarHBondContact O-OG1 2.97Å |
| 1233 | L | 46.8 | Very low | 53.3 | Low | 84 Ų | 84 | 69.8 Ų | 69.8 | 44% | 0.44 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 173 | -173.2 | 66.4 | 0 | 0 | 0 | 111 | L1226 S1230 I1237 | L1226-L1233 HydrophobicContact CD2-CD2 4.34Å; S1230-L1233 WeakPolarHBondContact O-CB 3.4Å; S1230-L1233 PolarHBondContact O-N 2.89Å; S1230-L1233 PolarHBondContact OG-N 2.87Å; L1233-I1237 HydrophobicContact CD1-CD1 3.99Å; L1233-I1237 HydrophobicContact CD1-CG1 4.32Å; L1233-I1237 HydrophobicContact CD2-CD1 4.37Å; L1233-I1237 HydrophobicContact CG-CD1 3.74Å; L1233-I1237 HydrophobicContact CG-CG1 4.38Å; L1233-I1237 VanDerWaalsContact O-CB 3.26Å; L1233-I1237 WeakPolarHBondContact O-CB 3.28Å; L1233-I1237 VanDerWaalsContact O-CG1 3.23Å; L1233-I1237 WeakPolarHBondContact O-CG1 3.47Å; L1233-I1237 PolarHBondContact O-N 3.34Å |
| 1234 | L | 51.1 | Low | 54 | Low | 40 Ų | 40 | 69.1 Ų | 69.1 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.6 | -52.2 | -177.7 | -167.8 | 73.6 | 0 | 0 | 0 | 113.2 | D1223 L1226 S1230 R1231 H1232 T1236 I1237 S1238 | D1223-L1234 HydrophobicContact CB-CD2 4.17Å; L1226-L1234 HydrophobicContact CB-CD1 3.89Å; L1226-L1234 HydrophobicContact CD1-CD1 3.76Å; L1226-L1234 HydrophobicContact CG-CD1 4.5Å; S1230-L1234 PolarHBondContact O-N 2.97Å; R1231-L1234 PolarHBondContact O-N 2.84Å; H1232-L1234 VanDerWaalsContact C-N 3.34Å; L1234-T1236 VanDerWaalsContact C-N 3.25Å; L1234-T1236 PolarHBondContact O-N 3.2Å; L1234-I1237 PolarHBondContact O-N 3.12Å; L1234-S1238 PolarHBondContact O-N 3.26Å |
| 1235 | E | 50.3 | Low | 54.8 | Low | 116 Ų | 116 | 72.5 Ų | 72.5 | 54% | 0.542 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 177.7 | -65.5 | 173.5 | 148.5 | 0 | 0 | 111.5 | R1231 H1232 S1238 T1239 | R1231-E1235 PolarHBondContact O-N 3.34Å; H1232-E1235 IonicContact ND1-OE2 3.5Å; E1235-S1238 PolarHBondContact O-N 3.08Å; E1235-T1239 PolarHBondContact O-N 3.44Å; E1235-T1239 VanDerWaalsContact O-N 3.09Å; E1235-T1239 PolarHBondContact O-OG1 2.99Å |
| 1236 | T | 51.8 | Low | 55.7 | Low | 30 Ų | 30 | 76 Ų | 76 | 18% | 0.184 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.6 | -49.6 | 177 | -61.9 | 0 | 0 | 0 | 0 | 111 | H1232 L1234 S1238 T1239 V1240 I1275 | H1232-T1236 WeakPolarHBondContact O-CB 3.42Å; H1232-T1236 PolarHBondContact O-N 3.4Å; H1232-T1236 PolarHBondContact O-OG1 2.97Å; L1234-T1236 VanDerWaalsContact C-N 3.25Å; L1234-T1236 PolarHBondContact O-N 3.2Å; T1236-S1238 VanDerWaalsContact C-N 3.31Å; T1236-S1238 PolarHBondContact O-N 2.98Å; T1236-T1239 PolarHBondContact O-N 2.84Å; T1236-T1239 PolarHBondContact O-OG1 3.29Å; T1236-V1240 HydrophobicContact CG2-CG2 4.2Å; T1236-V1240 WeakPolarHBondContact O-CB 3.19Å; T1236-V1240 WeakPolarHBondContact O-CG2 3.43Å; T1236-V1240 PolarHBondContact O-N 3.03Å; T1236-I1275 HydrophobicContact CG2-CD1 3.28Å; T1236-I1275 HydrophobicContact CG2-CG1 4.23Å |
| 1237 | I | 54.9 | Low | 56.8 | Low | 52 Ų | 52 | 74.1 Ų | 74.1 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 176.8 | -78.9 | 175.9 | 0 | 0 | 0 | 111.3 | L1233 L1234 V1240 K1241 | L1233-I1237 HydrophobicContact CD1-CD1 3.99Å; L1233-I1237 HydrophobicContact CD1-CG1 4.32Å; L1233-I1237 HydrophobicContact CD2-CD1 4.37Å; L1233-I1237 HydrophobicContact CG-CD1 3.74Å; L1233-I1237 HydrophobicContact CG-CG1 4.38Å; L1233-I1237 VanDerWaalsContact O-CB 3.26Å; L1233-I1237 WeakPolarHBondContact O-CB 3.28Å; L1233-I1237 VanDerWaalsContact O-CG1 3.23Å; L1233-I1237 WeakPolarHBondContact O-CG1 3.47Å; L1233-I1237 PolarHBondContact O-N 3.34Å; L1234-I1237 PolarHBondContact O-N 3.12Å; I1237-V1240 PolarHBondContact O-N 3.07Å; I1237-K1241 HydrophobicContact CG2-CD 4.16Å; I1237-K1241 HydrophobicContact CG2-CG 4.48Å; I1237-K1241 VanDerWaalsContact O-CG 3.28Å; I1237-K1241 WeakPolarHBondContact O-CG 3.26Å; I1237-K1241 PolarHBondContact O-N 3.3Å |
| 1238 | S | 56.7 | Low | 57.7 | Low | 77 Ų | 77 | 74.4 Ų | 74.4 | 54% | 0.538 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 112.7 | L1234 E1235 T1236 L1242 | L1234-S1238 PolarHBondContact O-N 3.26Å; E1235-S1238 PolarHBondContact O-N 3.08Å; T1236-S1238 VanDerWaalsContact C-N 3.31Å; T1236-S1238 PolarHBondContact O-N 2.98Å; S1238-L1242 PolarHBondContact O-N 2.69Å |
| 1239 | T | 56.6 | Low | 58.7 | Low | 65 Ų | 65 | 75 Ų | 75 | 40% | 0.399 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.8 | -33.9 | 178.3 | 44.9 | 0 | 0 | 0 | 0 | 113.3 | E1235 T1236 V1243 | E1235-T1239 PolarHBondContact O-N 3.44Å; E1235-T1239 VanDerWaalsContact O-N 3.09Å; E1235-T1239 PolarHBondContact O-OG1 2.99Å; T1236-T1239 PolarHBondContact O-N 2.84Å; T1236-T1239 PolarHBondContact O-OG1 3.29Å; T1239-V1243 WeakPolarHBondContact O-CG2 3.35Å; T1239-V1243 PolarHBondContact O-N 3Å |
| 1240 | V | 59.4 | Low | 60 | Low | 19 Ų | 19 | 69.2 Ų | 69.2 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.4 | -54.5 | 170.9 | 159.8 | 0 | 0 | 0 | 0 | 110.5 | T1236 I1237 L1242 V1243 E1244 I1275 L1277 | T1236-V1240 HydrophobicContact CG2-CG2 4.2Å; T1236-V1240 WeakPolarHBondContact O-CB 3.19Å; T1236-V1240 WeakPolarHBondContact O-CG2 3.43Å; T1236-V1240 PolarHBondContact O-N 3.03Å; I1237-V1240 PolarHBondContact O-N 3.07Å; V1240-L1242 PolarHBondContact O-N 3.07Å; V1240-V1243 PolarHBondContact O-N 3.26Å; V1240-E1244 VanDerWaalsContact O-CB 3.22Å; V1240-E1244 WeakPolarHBondContact O-CB 3.28Å; V1240-E1244 PolarHBondContact O-N 3.36Å; V1240-I1275 HydrophobicContact CG2-CB 4.18Å; V1240-I1275 HydrophobicContact CG2-CD1 3.99Å; V1240-I1275 HydrophobicContact CG2-CG2 4.11Å; V1240-L1277 HydrophobicContact CB-CD2 4.46Å; V1240-L1277 HydrophobicContact CG1-CD2 3.68Å |
| 1241 | K | 61.1 | Low | 61 | Low | 25 Ų | 25 | 69.6 Ų | 69.6 | 11% | 0.109 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.6 | -55 | -179.6 | -73.8 | 176.3 | -166.1 | -140.7 | 0 | 112.3 | L1186 C1187 L1189 I1237 V1243 E1244 E1245 | L1186-K1241 PolarHBondContact O-NZ 3.1Å; C1187-K1241 VanDerWaalsContact C-NZ 3.29Å; C1187-K1241 HydrophobicContact CB-CG 4.29Å; C1187-K1241 VanDerWaalsContact O-CD 3.29Å; C1187-K1241 WeakPolarHBondContact O-CD 3.25Å; C1187-K1241 VanDerWaalsContact O-CE 3.28Å; C1187-K1241 WeakPolarHBondContact O-CE 3.26Å; C1187-K1241 PolarHBondContact O-NZ 2.93Å; L1189-K1241 HydrophobicContact CD1-CD 4.45Å; I1237-K1241 HydrophobicContact CG2-CD 4.16Å; I1237-K1241 HydrophobicContact CG2-CG 4.48Å; I1237-K1241 VanDerWaalsContact O-CG 3.28Å; I1237-K1241 WeakPolarHBondContact O-CG 3.26Å; I1237-K1241 PolarHBondContact O-N 3.3Å; K1241-V1243 PolarHBondContact O-N 2.92Å; K1241-V1243 VanDerWaalsContact O-N 3.16Å; K1241-E1244 PolarHBondContact O-N 3.16Å; K1241-E1244 VanDerWaalsContact O-N 3.1Å; K1241-E1245 WeakPolarHBondContact O-CG 3.26Å; K1241-E1245 PolarHBondContact O-N 3.12Å |
| 1242 | L | 67.4 | Low | 62.2 | Low | 101 Ų | 101 | 68.4 Ų | 68.4 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -28.4 | -174.4 | -174.4 | 67 | 0 | 0 | 0 | 113.4 | S1238 V1240 K1246 | S1238-L1242 PolarHBondContact O-N 2.69Å; V1240-L1242 PolarHBondContact O-N 3.07Å; L1242-K1246 WeakPolarHBondContact O-CG 3.45Å |
| 1243 | V | 65.1 | Low | 63.4 | Low | 17 Ų | 17 | 62.8 Ų | 62.8 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -87.9 | -35.8 | 176.5 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | T1239 V1240 K1241 K1246 L1247 I1269 A1270 L1273 L1277 | T1239-V1243 WeakPolarHBondContact O-CG2 3.35Å; T1239-V1243 PolarHBondContact O-N 3Å; V1240-V1243 PolarHBondContact O-N 3.26Å; K1241-V1243 PolarHBondContact O-N 2.92Å; K1241-V1243 VanDerWaalsContact O-N 3.16Å; V1243-K1246 PolarHBondContact O-N 3.23Å; V1243-L1247 HydrophobicContact CG1-CD1 3.82Å; V1243-L1247 HydrophobicContact CG1-CG 4.37Å; V1243-L1247 WeakPolarHBondContact O-CB 3.32Å; V1243-L1247 WeakPolarHBondContact O-CD1 3.31Å; V1243-L1247 WeakPolarHBondContact O-CG 3.27Å; V1243-L1247 PolarHBondContact O-N 2.68Å; V1243-I1269 HydrophobicContact CG2-CG2 4.33Å; V1243-A1270 HydrophobicContact CG1-CB 3.31Å; V1243-L1273 HydrophobicContact CB-CD1 3.76Å; V1243-L1273 HydrophobicContact CG1-CD1 3.96Å; V1243-L1273 HydrophobicContact CG2-CD1 3.81Å; V1243-L1273 HydrophobicContact CG2-CG 4.47Å; V1243-L1277 HydrophobicContact CB-CD1 4.09Å; V1243-L1277 HydrophobicContact CG1-CD1 3.67Å |
| 1244 | E | 66.5 | Low | 64.5 | Low | 41 Ų | 41 | 65.3 Ų | 65.3 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 174 | -172.9 | 151.1 | -125.6 | 0 | 0 | 111.7 | V1240 K1241 K1246 L1247 N1248 L1277 A1279 | V1240-E1244 VanDerWaalsContact O-CB 3.22Å; V1240-E1244 WeakPolarHBondContact O-CB 3.28Å; V1240-E1244 PolarHBondContact O-N 3.36Å; K1241-E1244 PolarHBondContact O-N 3.16Å; K1241-E1244 VanDerWaalsContact O-N 3.1Å; E1244-K1246 PolarHBondContact O-N 2.72Å; E1244-L1247 PolarHBondContact O-N 2.71Å; E1244-N1248 WeakPolarHBondContact CG-ND2 3.11Å; E1244-N1248 VanDerWaalsContact O-CB 3.24Å; E1244-N1248 WeakPolarHBondContact O-CB 3.5Å; E1244-N1248 PolarHBondContact O-N 2.78Å; E1244-N1248 PolarHBondContact O-ND2 2.9Å; E1244-L1277 HydrophobicContact CB-CD1 4.17Å; E1244-L1277 HydrophobicContact CB-CD2 3.82Å; E1244-L1277 HydrophobicContact CG-CD2 4.16Å; E1244-A1279 HydrophobicContact CG-CB 4.48Å |
| 1245 | E | 68.5 | Low | 65.2 | Low | 120 Ų | 120 | 67.1 Ų | 67.1 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -52.3 | -55.5 | 170.9 | -75.5 | 178.3 | 125.5 | 0 | 0 | 111.1 | K1241 L1247 N1248 E1249 | K1241-E1245 WeakPolarHBondContact O-CG 3.26Å; K1241-E1245 PolarHBondContact O-N 3.12Å; E1245-L1247 VanDerWaalsContact C-N 3.31Å; E1245-L1247 PolarHBondContact O-N 2.97Å; E1245-N1248 CarbonylContact O-C 3.52Å; E1245-N1248 PolarHBondContact O-N 3.08Å; E1245-N1248 VanDerWaalsContact O-N 3.08Å; E1245-E1249 WeakPolarHBondContact O-CG 3.17Å; E1245-E1249 PolarHBondContact O-N 2.83Å |
| 1246 | K | 69.9 | Low | 65.9 | Low | 89 Ų | 89 | 62 Ų | 62 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.7 | -30.2 | -177.7 | -71.5 | -175.5 | 177.7 | -175 | 0 | 114 | L1242 V1243 E1244 I1250 | L1242-K1246 WeakPolarHBondContact O-CG 3.45Å; V1243-K1246 PolarHBondContact O-N 3.23Å; E1244-K1246 PolarHBondContact O-N 2.72Å; K1246-I1250 WeakPolarHBondContact O-CD1 3.28Å; K1246-I1250 VanDerWaalsContact O-CG1 3.3Å; K1246-I1250 WeakPolarHBondContact O-CG1 3.31Å; K1246-I1250 PolarHBondContact O-N 2.86Å |
| 1247 | L | 73.4 | Confident | 66.7 | Low | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -77 | -33.4 | 173.3 | -66.5 | 167 | 0 | 0 | 0 | 111.4 | V1243 E1244 E1245 I1250 I1251 Q1266 A1270 L1277 A1279 I1280 V1283 | V1243-L1247 HydrophobicContact CG1-CD1 3.82Å; V1243-L1247 HydrophobicContact CG1-CG 4.37Å; V1243-L1247 WeakPolarHBondContact O-CB 3.32Å; V1243-L1247 WeakPolarHBondContact O-CD1 3.31Å; V1243-L1247 WeakPolarHBondContact O-CG 3.27Å; V1243-L1247 PolarHBondContact O-N 2.68Å; E1244-L1247 PolarHBondContact O-N 2.71Å; E1245-L1247 VanDerWaalsContact C-N 3.31Å; E1245-L1247 PolarHBondContact O-N 2.97Å; L1247-I1250 WeakPolarHBondContact O-CB 3.06Å; L1247-I1250 PolarHBondContact O-N 2.92Å; L1247-I1251 VanDerWaalsContact O-CG1 3.29Å; L1247-I1251 WeakPolarHBondContact O-CG1 3.25Å; L1247-I1251 PolarHBondContact O-N 2.7Å; L1247-Q1266 HydrophobicContact CD2-CB 4.47Å; L1247-A1270 HydrophobicContact CD1-CB 3.74Å; L1247-A1270 HydrophobicContact CD2-CB 4.34Å; L1247-A1270 HydrophobicContact CG-CB 4.42Å; L1247-L1277 HydrophobicContact CD1-CD1 3.89Å; L1247-A1279 HydrophobicContact CB-CB 3.58Å; L1247-A1279 HydrophobicContact CD1-CB 4.07Å; L1247-I1280 HydrophobicContact CD1-CB 4.4Å; L1247-I1280 HydrophobicContact CD1-CG1 3.55Å; L1247-V1283 HydrophobicContact CB-CG2 4.05Å; L1247-V1283 HydrophobicContact CD2-CB 3.9Å; L1247-V1283 HydrophobicContact CD2-CG1 4.08Å; L1247-V1283 HydrophobicContact CD2-CG2 3.86Å |
| 1248 | N | 71.3 | Confident | 67.5 | Low | 56 Ų | 56 | 63.1 Ų | 63.1 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.7 | -36.7 | 174.2 | -72.9 | -26 | 0 | 0 | 0 | 111.8 | E1244 E1245 I1250 I1251 Q1252 | E1244-N1248 WeakPolarHBondContact CG-ND2 3.11Å; E1244-N1248 VanDerWaalsContact O-CB 3.24Å; E1244-N1248 WeakPolarHBondContact O-CB 3.5Å; E1244-N1248 PolarHBondContact O-N 2.78Å; E1244-N1248 PolarHBondContact O-ND2 2.9Å; E1245-N1248 CarbonylContact O-C 3.52Å; E1245-N1248 PolarHBondContact O-N 3.08Å; E1245-N1248 VanDerWaalsContact O-N 3.08Å; N1248-I1250 PolarHBondContact O-N 3.41Å; N1248-I1251 PolarHBondContact O-N 2.98Å; N1248-I1251 VanDerWaalsContact O-N 3.16Å; N1248-Q1252 WeakPolarHBondContact O-CB 3.12Å; N1248-Q1252 VanDerWaalsContact O-CG 3.28Å; N1248-Q1252 WeakPolarHBondContact O-CG 3.42Å; N1248-Q1252 PolarHBondContact O-N 3.32Å |
| 1249 | E | 72.6 | Confident | 68.4 | Low | 138 Ų | 138 | 62.5 Ų | 62.5 | 65% | 0.645 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -53.7 | -43.5 | 166.2 | -74.5 | -173.5 | 140.8 | 0 | 0 | 110.9 | E1245 A1253 | E1245-E1249 WeakPolarHBondContact O-CG 3.17Å; E1245-E1249 PolarHBondContact O-N 2.83Å; E1249-A1253 VanDerWaalsContact O-CB 3.32Å; E1249-A1253 WeakPolarHBondContact O-CB 3.38Å; E1249-A1253 PolarHBondContact O-N 2.9Å |
| 1250 | I | 74.4 | Confident | 69.3 | Low | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.062 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 176.5 | -69.5 | 165.2 | 0 | 0 | 0 | 111.8 | K1246 L1247 N1248 Q1252 A1253 L1258 V1263 Q1266 V1283 V1391 | K1246-I1250 WeakPolarHBondContact O-CD1 3.28Å; K1246-I1250 VanDerWaalsContact O-CG1 3.3Å; K1246-I1250 WeakPolarHBondContact O-CG1 3.31Å; K1246-I1250 PolarHBondContact O-N 2.86Å; L1247-I1250 WeakPolarHBondContact O-CB 3.06Å; L1247-I1250 PolarHBondContact O-N 2.92Å; N1248-I1250 PolarHBondContact O-N 3.41Å; I1250-Q1252 VanDerWaalsContact C-N 3.32Å; I1250-Q1252 PolarHBondContact O-N 2.76Å; I1250-A1253 PolarHBondContact O-N 3.41Å; I1250-L1258 HydrophobicContact CB-CD1 4.11Å; I1250-L1258 HydrophobicContact CG1-CD1 3.83Å; I1250-L1258 HydrophobicContact CG2-CD1 3.99Å; I1250-V1263 HydrophobicContact CD1-CG1 4.39Å; I1250-V1263 HydrophobicContact CG2-CG1 3.87Å; I1250-V1263 HydrophobicContact CG2-CG2 3.96Å; I1250-Q1266 HydrophobicContact CD1-CB 3.71Å; I1250-Q1266 HydrophobicContact CD1-CG 3.77Å; I1250-V1283 HydrophobicContact CB-CG2 4.21Å; I1250-V1283 HydrophobicContact CD1-CG1 4.42Å; I1250-V1283 HydrophobicContact CG2-CG1 3.71Å; I1250-V1283 HydrophobicContact CG2-CG2 3.89Å; I1250-V1391 WeakPolarHBondContact O-CG1 3.39Å |
| 1251 | I | 71.3 | Confident | 70 | Confident | 57 Ų | 57 | 63.6 Ų | 63.6 | 29% | 0.292 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.1 | -35.9 | 178.6 | -68.5 | 161.4 | 0 | 0 | 0 | 111.2 | L1247 N1248 A1279 N1282 V1283 I1286 | L1247-I1251 VanDerWaalsContact O-CG1 3.29Å; L1247-I1251 WeakPolarHBondContact O-CG1 3.25Å; L1247-I1251 PolarHBondContact O-N 2.7Å; N1248-I1251 PolarHBondContact O-N 2.98Å; N1248-I1251 VanDerWaalsContact O-N 3.16Å; I1251-A1279 HydrophobicContact CD1-CB 3.99Å; I1251-N1282 HydrophobicContact CD1-CB 3.74Å; I1251-N1282 HydrophobicContact CG1-CB 4.29Å; I1251-V1283 HydrophobicContact CD1-CG2 3.96Å; I1251-V1283 HydrophobicContact CG1-CG2 3.64Å; I1251-I1286 HydrophobicContact CG1-CD1 4.2Å |
| 1252 | Q | 70.8 | Confident | 70.4 | Confident | 157 Ų | 157 | 64.4 Ų | 64.4 | 73% | 0.734 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -87.4 | -10.7 | -178.7 | -64.3 | -179.9 | 25.8 | 0 | 0 | 113.9 | N1248 I1250 K1254 | N1248-Q1252 WeakPolarHBondContact O-CB 3.12Å; N1248-Q1252 VanDerWaalsContact O-CG 3.28Å; N1248-Q1252 WeakPolarHBondContact O-CG 3.42Å; N1248-Q1252 PolarHBondContact O-N 3.32Å; I1250-Q1252 VanDerWaalsContact C-N 3.32Å; I1250-Q1252 PolarHBondContact O-N 2.76Å; Q1252-K1254 PolarHBondContact O-N 2.87Å |
| 1253 | A | 71.1 | Confident | 70.8 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -64.2 | 132.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1249 I1250 L1258 V1391 | E1249-A1253 VanDerWaalsContact O-CB 3.32Å; E1249-A1253 WeakPolarHBondContact O-CB 3.38Å; E1249-A1253 PolarHBondContact O-N 2.9Å; I1250-A1253 PolarHBondContact O-N 3.41Å; A1253-L1258 HydrophobicContact CB-CD1 3.69Å; A1253-L1258 HydrophobicContact CB-CD2 4.39Å; A1253-L1258 HydrophobicContact CB-CG 3.85Å; A1253-V1391 HydrophobicContact CB-CG1 3.74Å |
| 1254 | K | 70.3 | Confident | 71.4 | Confident | 136 Ų | 136 | 60.7 Ų | 60.7 | 59% | 0.591 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 146.4 | -171.9 | -58.7 | -163.6 | 179.7 | -167.1 | 0 | 112.5 | Q1252 G1256 S1257 | Q1252-K1254 PolarHBondContact O-N 2.87Å; K1254-G1256 PolarHBondContact O-N 2.9Å; K1254-S1257 WeakPolarHBondContact O-CB 3.42Å; K1254-S1257 PolarHBondContact O-N 3.37Å; K1254-S1257 VanDerWaalsContact O-N 3.14Å; K1254-S1257 PolarHBondContact O-OG 2.94Å |
| 1255 | P | 65.7 | Low | 71.6 | Confident | 78 Ų | 78 | 64.6 Ų | 64.6 | 51% | 0.506 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | 132.1 | -176.1 | -34 | 37.1 | 0 | 0 | 0 | 116.4 | S1257 Q1388 C1390 K2315 | P1255-S1257 PolarHBondContact O-N 3.39Å; P1255-Q1388 WeakPolarHBondContact CB-O 3.38Å; P1255-C1390 CarbonylContact C-O 3.59Å; P1255-C1390 WeakPolarHBondContact CA-O 3.44Å; P1255-K2315 PolarHBondContact O-NZ 3.08Å |
| 1256 | G | 64.5 | Low | 71.7 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 44.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1254 C1390 V1391 I1392 K1393 K2315 | K1254-G1256 PolarHBondContact O-N 2.9Å; G1256-C1390 PolarHBondContact N-O 2.82Å; G1256-V1391 CarbonylContact C-O 3.54Å; G1256-V1391 WeakPolarHBondContact CA-O 3.47Å; G1256-V1391 PolarHBondContact N-O 3.38Å; G1256-I1392 WeakPolarHBondContact CA-O 3.47Å; G1256-K1393 WeakPolarHBondContact O-CB 3.43Å; G1256-K2315 VanDerWaalsContact C-NZ 3.3Å; G1256-K2315 PolarHBondContact O-NZ 3.38Å |
| 1257 | S | 68.5 | Low | 71.8 | Confident | 54 Ų | 54 | 57.6 Ų | 57.6 | 38% | 0.378 | 31% | 0.308 | S | S | . | . | trans | -102.3 | -33.5 | 174.4 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | K1254 P1255 V1391 | K1254-S1257 WeakPolarHBondContact O-CB 3.42Å; K1254-S1257 PolarHBondContact O-N 3.37Å; K1254-S1257 VanDerWaalsContact O-N 3.14Å; K1254-S1257 PolarHBondContact O-OG 2.94Å; P1255-S1257 PolarHBondContact O-N 3.39Å; S1257-V1391 PolarHBondContact N-O 2.87Å | ||
| 1258 | L | 72.8 | Confident | 71.7 | Confident | 51 Ų | 51 | 62.1 Ų | 62.1 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -94.7 | 161.9 | -178.8 | -58.8 | -177.2 | 0 | 0 | 0 | 112.5 | I1250 A1253 V1263 V1391 I1392 K1393 | I1250-L1258 HydrophobicContact CB-CD1 4.11Å; I1250-L1258 HydrophobicContact CG1-CD1 3.83Å; I1250-L1258 HydrophobicContact CG2-CD1 3.99Å; A1253-L1258 HydrophobicContact CB-CD1 3.69Å; A1253-L1258 HydrophobicContact CB-CD2 4.39Å; A1253-L1258 HydrophobicContact CB-CG 3.85Å; L1258-V1263 HydrophobicContact CB-CG2 3.97Å; L1258-V1263 HydrophobicContact CD1-CG2 3.91Å; L1258-V1391 HydrophobicContact CB-CG1 4.24Å; L1258-V1391 HydrophobicContact CD1-CG1 3.79Å; L1258-V1391 HydrophobicContact CG-CG1 3.98Å; L1258-V1391 PolarHBondContact N-O 3.5Å; L1258-I1392 WeakPolarHBondContact O-CA 3.18Å; L1258-K1393 WeakPolarHBondContact O-CB 3.12Å; L1258-K1393 PolarHBondContact O-N 3.25Å |
| 1259 | S | 75.5 | Confident | 71.5 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | trans | -97.4 | 147.7 | 169.5 | 72.6 | 0 | 0 | 0 | 0 | 110.6 | N1261 A1262 V1263 | S1259-N1261 PolarHBondContact O-N 2.92Å; S1259-A1262 PolarHBondContact O-N 2.85Å; S1259-A1262 WeakPolarHBondContact OG-CB 3.43Å; S1259-A1262 PolarHBondContact OG-N 3.11Å; S1259-V1263 WeakPolarHBondContact O-CG2 3.4Å; S1259-V1263 PolarHBondContact O-N 3.31Å | ||
| 1260 | L | 75.7 | Confident | 71.1 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.9 | -38.4 | 179.2 | 179.9 | 61.6 | 0 | 0 | 0 | 111.9 | V1263 K1264 C1287 A1290 E1291 E1294 I1392 | L1260-V1263 PolarHBondContact O-N 2.55Å; L1260-K1264 HydrophobicContact CD1-CD 4.39Å; L1260-K1264 HydrophobicContact CD1-CG 4.41Å; L1260-K1264 HydrophobicContact CG-CD 4.04Å; L1260-K1264 HydrophobicContact CG-CG 4.48Å; L1260-K1264 WeakPolarHBondContact O-CB 3.32Å; L1260-K1264 VanDerWaalsContact O-CG 3.3Å; L1260-K1264 WeakPolarHBondContact O-CG 3.36Å; L1260-K1264 PolarHBondContact O-N 3.44Å; L1260-C1287 HydrophobicContact CD1-CB 4.45Å; L1260-A1290 HydrophobicContact CD1-CB 4.09Å; L1260-E1291 HydrophobicContact CD2-CG 3.99Å; L1260-E1294 WeakPolarHBondContact CD2-OE2 3.4Å; L1260-I1392 HydrophobicContact CB-CG2 3.98Å; L1260-I1392 HydrophobicContact CD1-CD1 3.75Å |
| 1261 | N | 72.8 | Confident | 70.7 | Confident | 93 Ų | 93 | 61.3 Ų | 61.3 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.3 | -43.4 | -178.5 | -65.5 | -8.2 | 0 | 0 | 0 | 112.6 | S1259 V1263 K1264 E1265 | S1259-N1261 PolarHBondContact O-N 2.92Å; N1261-V1263 VanDerWaalsContact C-N 3.27Å; N1261-V1263 PolarHBondContact O-N 2.84Å; N1261-K1264 WeakPolarHBondContact O-CB 3.41Å; N1261-K1264 PolarHBondContact O-N 3.25Å; N1261-E1265 WeakPolarHBondContact O-CG 3.36Å; N1261-E1265 PolarHBondContact O-N 3.46Å |
| 1262 | A | 71.4 | Confident | 70.2 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 35% | 0.347 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1259 | S1259-A1262 PolarHBondContact O-N 2.85Å; S1259-A1262 WeakPolarHBondContact OG-CB 3.43Å; S1259-A1262 PolarHBondContact OG-N 3.11Å |
| 1263 | V | 75.3 | Confident | 69.6 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67 | -45.4 | 173.8 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | I1250 L1258 S1259 L1260 N1261 E1265 Q1266 L1267 V1283 C1287 I1392 | I1250-V1263 HydrophobicContact CD1-CG1 4.39Å; I1250-V1263 HydrophobicContact CG2-CG1 3.87Å; I1250-V1263 HydrophobicContact CG2-CG2 3.96Å; L1258-V1263 HydrophobicContact CB-CG2 3.97Å; L1258-V1263 HydrophobicContact CD1-CG2 3.91Å; S1259-V1263 WeakPolarHBondContact O-CG2 3.4Å; S1259-V1263 PolarHBondContact O-N 3.31Å; L1260-V1263 PolarHBondContact O-N 2.55Å; N1261-V1263 VanDerWaalsContact C-N 3.27Å; N1261-V1263 PolarHBondContact O-N 2.84Å; V1263-E1265 VanDerWaalsContact C-N 3.3Å; V1263-E1265 PolarHBondContact O-N 3.1Å; V1263-Q1266 PolarHBondContact O-N 2.77Å; V1263-L1267 WeakPolarHBondContact O-CB 3.32Å; V1263-L1267 PolarHBondContact O-N 2.85Å; V1263-V1283 HydrophobicContact CG1-CG1 3.31Å; V1263-C1287 WeakPolarHBondContact CG1-SG 3.26Å; V1263-I1392 HydrophobicContact CB-CD1 4.4Å; V1263-I1392 HydrophobicContact CG2-CD1 4.22Å; V1263-I1392 HydrophobicContact CG2-CG1 4.16Å |
| 1264 | K | 76.9 | Confident | 68.5 | Low | 40 Ų | 40 | 64.7 Ų | 64.7 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59 | -35.6 | 176.7 | -78.3 | 173.2 | 171.5 | -178.5 | 0 | 113.4 | L1260 N1261 L1267 I1268 E1291 | L1260-K1264 HydrophobicContact CD1-CD 4.39Å; L1260-K1264 HydrophobicContact CD1-CG 4.41Å; L1260-K1264 HydrophobicContact CG-CD 4.04Å; L1260-K1264 HydrophobicContact CG-CG 4.48Å; L1260-K1264 WeakPolarHBondContact O-CB 3.32Å; L1260-K1264 VanDerWaalsContact O-CG 3.3Å; L1260-K1264 WeakPolarHBondContact O-CG 3.36Å; L1260-K1264 PolarHBondContact O-N 3.44Å; N1261-K1264 WeakPolarHBondContact O-CB 3.41Å; N1261-K1264 PolarHBondContact O-N 3.25Å; K1264-L1267 VanDerWaalsContact O-CB 3.25Å; K1264-L1267 WeakPolarHBondContact O-CB 3.33Å; K1264-L1267 PolarHBondContact O-N 2.84Å; K1264-I1268 VanDerWaalsContact O-CG1 3.28Å; K1264-I1268 WeakPolarHBondContact O-CG1 3.03Å; K1264-I1268 PolarHBondContact O-N 3.49Å; K1264-E1291 WeakPolarHBondContact CE-OE1 3.41Å; K1264-E1291 IonicContact NZ-OE1 2.85Å; K1264-E1291 PolarHBondContact NZ-OE1 3.38Å |
| 1265 | E | 71.9 | Confident | 67.6 | Low | 122 Ų | 122 | 61.6 Ų | 61.6 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.8 | -46.8 | 178.1 | -74.5 | 174.9 | 165 | 0 | 0 | 111.9 | N1261 V1263 L1267 I1268 I1269 | N1261-E1265 WeakPolarHBondContact O-CG 3.36Å; N1261-E1265 PolarHBondContact O-N 3.46Å; V1263-E1265 VanDerWaalsContact C-N 3.3Å; V1263-E1265 PolarHBondContact O-N 3.1Å; E1265-L1267 VanDerWaalsContact C-N 3.25Å; E1265-L1267 PolarHBondContact O-N 2.93Å; E1265-I1268 PolarHBondContact O-N 2.81Å; E1265-I1269 WeakPolarHBondContact O-CG1 3.35Å; E1265-I1269 PolarHBondContact O-N 3.19Å; E1265-I1269 VanDerWaalsContact O-N 3.1Å |
| 1266 | Q | 70.8 | Confident | 67 | Low | 49 Ų | 49 | 66.7 Ų | 66.7 | 23% | 0.229 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.9 | -34.8 | 173.3 | -55.5 | -45.4 | -58.9 | 0 | 0 | 111.4 | L1247 I1250 V1263 I1268 I1269 A1270 | L1247-Q1266 HydrophobicContact CD2-CB 4.47Å; I1250-Q1266 HydrophobicContact CD1-CB 3.71Å; I1250-Q1266 HydrophobicContact CD1-CG 3.77Å; V1263-Q1266 PolarHBondContact O-N 2.77Å; Q1266-I1268 VanDerWaalsContact C-N 3.34Å; Q1266-I1268 PolarHBondContact O-N 3.17Å; Q1266-I1269 PolarHBondContact O-N 3.43Å; Q1266-A1270 VanDerWaalsContact O-CB 3.25Å; Q1266-A1270 WeakPolarHBondContact O-CB 3.21Å; Q1266-A1270 PolarHBondContact O-N 3.47Å |
| 1267 | L | 71.3 | Confident | 66.9 | Low | 14 Ų | 14 | 66.5 Ų | 66.5 | 7% | 0.073 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 174.2 | -152.5 | 81.5 | 0 | 0 | 0 | 113.2 | V1263 K1264 E1265 K1271 V1283 Q1284 C1287 | V1263-L1267 WeakPolarHBondContact O-CB 3.32Å; V1263-L1267 PolarHBondContact O-N 2.85Å; K1264-L1267 VanDerWaalsContact O-CB 3.25Å; K1264-L1267 WeakPolarHBondContact O-CB 3.33Å; K1264-L1267 PolarHBondContact O-N 2.84Å; E1265-L1267 VanDerWaalsContact C-N 3.25Å; E1265-L1267 PolarHBondContact O-N 2.93Å; L1267-K1271 WeakPolarHBondContact O-CB 3.39Å; L1267-K1271 VanDerWaalsContact O-CG 3.25Å; L1267-K1271 WeakPolarHBondContact O-CG 3.45Å; L1267-K1271 PolarHBondContact O-N 2.92Å; L1267-V1283 VanDerWaalsContact CD1-C 3.44Å; L1267-V1283 HydrophobicContact CD1-CB 3.81Å; L1267-V1283 HydrophobicContact CD1-CG1 3.62Å; L1267-Q1284 HydrophobicContact CD1-CB 4.32Å; L1267-Q1284 HydrophobicContact CD1-CG 3.74Å; L1267-Q1284 VanDerWaalsContact CD1-N 3.34Å; L1267-Q1284 HydrophobicContact CD2-CG 3.95Å; L1267-Q1284 HydrophobicContact CG-CG 3.98Å; L1267-C1287 HydrophobicContact CD2-CB 4.18Å |
| 1268 | I | 71.8 | Confident | 66.6 | Low | 95 Ų | 95 | 68.2 Ų | 68.2 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.5 | -45.2 | 179 | -71.5 | 162.1 | 0 | 0 | 0 | 110.4 | K1264 E1265 Q1266 A1270 K1271 Q1272 | K1264-I1268 VanDerWaalsContact O-CG1 3.28Å; K1264-I1268 WeakPolarHBondContact O-CG1 3.03Å; K1264-I1268 PolarHBondContact O-N 3.49Å; E1265-I1268 PolarHBondContact O-N 2.81Å; Q1266-I1268 VanDerWaalsContact C-N 3.34Å; Q1266-I1268 PolarHBondContact O-N 3.17Å; I1268-A1270 VanDerWaalsContact C-N 3.25Å; I1268-A1270 PolarHBondContact O-N 3.45Å; I1268-K1271 PolarHBondContact O-N 3.45Å; I1268-Q1272 WeakPolarHBondContact O-CG 3.31Å; I1268-Q1272 PolarHBondContact O-N 2.86Å |
| 1269 | I | 66.9 | Low | 66.2 | Low | 81 Ų | 81 | 65.8 Ų | 65.8 | 42% | 0.415 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.3 | -44.8 | 174.1 | -66.7 | 164.9 | 0 | 0 | 0 | 109.8 | V1243 E1265 Q1266 Q1272 | V1243-I1269 HydrophobicContact CG2-CG2 4.33Å; E1265-I1269 WeakPolarHBondContact O-CG1 3.35Å; E1265-I1269 PolarHBondContact O-N 3.19Å; E1265-I1269 VanDerWaalsContact O-N 3.1Å; Q1266-I1269 PolarHBondContact O-N 3.43Å; I1269-Q1272 WeakPolarHBondContact O-CB 3.49Å; I1269-Q1272 PolarHBondContact O-N 3.33Å |
| 1270 | A | 62.7 | Low | 65.9 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -73.7 | -37.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1243 L1247 Q1266 I1268 Q1272 L1273 I1280 | V1243-A1270 HydrophobicContact CG1-CB 3.31Å; L1247-A1270 HydrophobicContact CD1-CB 3.74Å; L1247-A1270 HydrophobicContact CD2-CB 4.34Å; L1247-A1270 HydrophobicContact CG-CB 4.42Å; Q1266-A1270 VanDerWaalsContact O-CB 3.25Å; Q1266-A1270 WeakPolarHBondContact O-CB 3.21Å; Q1266-A1270 PolarHBondContact O-N 3.47Å; I1268-A1270 VanDerWaalsContact C-N 3.25Å; I1268-A1270 PolarHBondContact O-N 3.45Å; A1270-Q1272 PolarHBondContact O-N 3.44Å; A1270-L1273 PolarHBondContact O-N 3.35Å; A1270-I1280 HydrophobicContact CB-CD1 3.74Å; A1270-I1280 HydrophobicContact CB-CG1 3.47Å; A1270-I1280 VanDerWaalsContact CB-CG1 3.47Å; A1270-I1280 VanDerWaalsContact O-CD1 3.26Å; A1270-I1280 WeakPolarHBondContact O-CD1 3.41Å |
| 1271 | K | 66.1 | Low | 65.6 | Low | 109 Ų | 109 | 66.4 Ų | 66.4 | 47% | 0.474 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -11.9 | 171.4 | -79.7 | 174.3 | -172.3 | -79.6 | 0 | 113.3 | L1267 I1268 | L1267-K1271 WeakPolarHBondContact O-CB 3.39Å; L1267-K1271 VanDerWaalsContact O-CG 3.25Å; L1267-K1271 WeakPolarHBondContact O-CG 3.45Å; L1267-K1271 PolarHBondContact O-N 2.92Å; I1268-K1271 PolarHBondContact O-N 3.45Å |
| 1272 | Q | 62.6 | Low | 65.6 | Low | 150 Ų | 150 | 63.8 Ų | 63.8 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7.5 | 175.8 | -68 | 171 | 6.8 | 0 | 0 | 113.7 | I1268 I1269 A1270 | I1268-Q1272 WeakPolarHBondContact O-CG 3.31Å; I1268-Q1272 PolarHBondContact O-N 2.86Å; I1269-Q1272 WeakPolarHBondContact O-CB 3.49Å; I1269-Q1272 PolarHBondContact O-N 3.33Å; A1270-Q1272 PolarHBondContact O-N 3.44Å |
| 1273 | L | 58.2 | Low | 65.7 | Low | 36 Ų | 36 | 61.8 Ų | 61.8 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -77.5 | 144.9 | 171.5 | -65.4 | -172.7 | 0 | 0 | 0 | 111.5 | V1243 A1270 I1275 L1277 | V1243-L1273 HydrophobicContact CB-CD1 3.76Å; V1243-L1273 HydrophobicContact CG1-CD1 3.96Å; V1243-L1273 HydrophobicContact CG2-CD1 3.81Å; V1243-L1273 HydrophobicContact CG2-CG 4.47Å; A1270-L1273 PolarHBondContact O-N 3.35Å; L1273-I1275 PolarHBondContact O-N 2.8Å; L1273-L1277 HydrophobicContact CD1-CD1 4.37Å |
| 1274 | P | 47.3 | Very low | 65.8 | Low | 120 Ų | 120 | 63.8 Ų | 63.8 | 78% | 0.779 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -76.1 | 17.3 | 178.2 | 33 | -36.9 | 0 | 0 | 0 | 114.2 | ||
| 1275 | I | 50.3 | Low | 65.6 | Low | 72 Ų | 72 | 64.7 Ų | 64.7 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -132.7 | 136.9 | -176.7 | -74.8 | -168.9 | 0 | 0 | 0 | 111.2 | T1236 V1240 L1273 L1277 | T1236-I1275 HydrophobicContact CG2-CD1 3.28Å; T1236-I1275 HydrophobicContact CG2-CG1 4.23Å; V1240-I1275 HydrophobicContact CG2-CB 4.18Å; V1240-I1275 HydrophobicContact CG2-CD1 3.99Å; V1240-I1275 HydrophobicContact CG2-CG2 4.11Å; L1273-I1275 PolarHBondContact O-N 2.8Å; I1275-L1277 PolarHBondContact O-N 2.84Å; I1275-L1277 VanDerWaalsContact O-N 3.14Å |
| 1276 | Q | 54.9 | Low | 65.7 | Low | 184 Ų | 184 | 60.4 Ų | 60.4 | 86% | 0.86 | 31% | 0.314 | S | S | * | . | trans | -78.9 | 89.1 | 170.4 | -70.5 | -171.9 | -14.6 | 0 | 0 | 110.8 | ||||
| 1277 | L | 61.7 | Low | 65.9 | Low | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | trans | -61 | 133 | 160.4 | -65.8 | 171.7 | 0 | 0 | 0 | 109.3 | V1240 V1243 E1244 L1247 L1273 I1275 A1279 I1280 T1281 | V1240-L1277 HydrophobicContact CB-CD2 4.46Å; V1240-L1277 HydrophobicContact CG1-CD2 3.68Å; V1243-L1277 HydrophobicContact CB-CD1 4.09Å; V1243-L1277 HydrophobicContact CG1-CD1 3.67Å; E1244-L1277 HydrophobicContact CB-CD1 4.17Å; E1244-L1277 HydrophobicContact CB-CD2 3.82Å; E1244-L1277 HydrophobicContact CG-CD2 4.16Å; L1247-L1277 HydrophobicContact CD1-CD1 3.89Å; L1273-L1277 HydrophobicContact CD1-CD1 4.37Å; I1275-L1277 PolarHBondContact O-N 2.84Å; I1275-L1277 VanDerWaalsContact O-N 3.14Å; L1277-A1279 HydrophobicContact CB-CB 4.49Å; L1277-A1279 PolarHBondContact O-N 3.28Å; L1277-I1280 HydrophobicContact CB-CB 4.2Å; L1277-I1280 HydrophobicContact CB-CD1 3.81Å; L1277-I1280 HydrophobicContact CB-CG1 3.8Å; L1277-I1280 HydrophobicContact CD1-CD1 4.03Å; L1277-I1280 HydrophobicContact CD1-CG1 4.17Å; L1277-I1280 HydrophobicContact CG-CD1 4.11Å; L1277-I1280 HydrophobicContact CG-CG1 4.44Å; L1277-I1280 WeakPolarHBondContact O-CB 3.37Å; L1277-I1280 PolarHBondContact O-N 2.66Å; L1277-T1281 PolarHBondContact O-N 3.03Å | ||
| 1278 | T | 61.3 | Low | 66.1 | Low | 91 Ų | 91 | 62.9 Ų | 62.9 | 56% | 0.558 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.3 | -34.3 | 171 | 53.3 | 0 | 0 | 0 | 0 | 110.7 | I1280 T1281 N1282 | T1278-I1280 VanDerWaalsContact C-N 3.28Å; T1278-I1280 PolarHBondContact O-N 2.84Å; T1278-T1281 PolarHBondContact O-N 3.17Å; T1278-T1281 VanDerWaalsContact O-N 3.07Å; T1278-N1282 PolarHBondContact O-N 2.96Å |
| 1279 | A | 64.6 | Low | 66.2 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.6 | -33.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1244 L1247 I1251 L1277 N1282 V1283 | E1244-A1279 HydrophobicContact CG-CB 4.48Å; L1247-A1279 HydrophobicContact CB-CB 3.58Å; L1247-A1279 HydrophobicContact CD1-CB 4.07Å; I1251-A1279 HydrophobicContact CD1-CB 3.99Å; L1277-A1279 HydrophobicContact CB-CB 4.49Å; L1277-A1279 PolarHBondContact O-N 3.28Å; A1279-N1282 PolarHBondContact O-N 3.08Å; A1279-V1283 WeakPolarHBondContact O-CB 3.4Å; A1279-V1283 VanDerWaalsContact O-CG2 3.27Å; A1279-V1283 WeakPolarHBondContact O-CG2 3.28Å; A1279-V1283 PolarHBondContact O-N 2.73Å |
| 1280 | I | 69.9 | Low | 66.4 | Low | 11 Ų | 11 | 57.7 Ų | 57.7 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 172.1 | -75.1 | 165 | 0 | 0 | 0 | 109.6 | L1247 A1270 L1277 T1278 N1282 V1283 Q1284 | L1247-I1280 HydrophobicContact CD1-CB 4.4Å; L1247-I1280 HydrophobicContact CD1-CG1 3.55Å; A1270-I1280 HydrophobicContact CB-CD1 3.74Å; A1270-I1280 HydrophobicContact CB-CG1 3.47Å; A1270-I1280 VanDerWaalsContact CB-CG1 3.47Å; A1270-I1280 VanDerWaalsContact O-CD1 3.26Å; A1270-I1280 WeakPolarHBondContact O-CD1 3.41Å; L1277-I1280 HydrophobicContact CB-CB 4.2Å; L1277-I1280 HydrophobicContact CB-CD1 3.81Å; L1277-I1280 HydrophobicContact CB-CG1 3.8Å; L1277-I1280 HydrophobicContact CD1-CD1 4.03Å; L1277-I1280 HydrophobicContact CD1-CG1 4.17Å; L1277-I1280 HydrophobicContact CG-CD1 4.11Å; L1277-I1280 HydrophobicContact CG-CG1 4.44Å; L1277-I1280 WeakPolarHBondContact O-CB 3.37Å; L1277-I1280 PolarHBondContact O-N 2.66Å; T1278-I1280 VanDerWaalsContact C-N 3.28Å; T1278-I1280 PolarHBondContact O-N 2.84Å; I1280-N1282 VanDerWaalsContact C-N 3.32Å; I1280-N1282 PolarHBondContact O-N 3.22Å; I1280-V1283 PolarHBondContact O-N 3.06Å; I1280-Q1284 HydrophobicContact CG2-CG 4.06Å; I1280-Q1284 VanDerWaalsContact O-CB 3.28Å; I1280-Q1284 WeakPolarHBondContact O-CB 3.29Å; I1280-Q1284 WeakPolarHBondContact O-CG 3.2Å; I1280-Q1284 PolarHBondContact O-N 2.85Å |
| 1281 | T | 69.3 | Low | 67 | Low | 79 Ų | 79 | 60.4 Ų | 60.4 | 49% | 0.485 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.2 | -38.9 | -176.5 | -44.5 | 0 | 0 | 0 | 0 | 111.2 | L1277 T1278 Q1284 L1285 | L1277-T1281 PolarHBondContact O-N 3.03Å; T1278-T1281 PolarHBondContact O-N 3.17Å; T1278-T1281 VanDerWaalsContact O-N 3.07Å; T1281-Q1284 PolarHBondContact O-N 3.46Å; T1281-L1285 WeakPolarHBondContact O-CB 3.27Å; T1281-L1285 PolarHBondContact O-N 3.25Å |
| 1282 | N | 72.1 | Confident | 67.5 | Low | 38 Ų | 38 | 59.8 Ų | 59.8 | 20% | 0.203 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 176 | -71 | -20.8 | 0 | 0 | 0 | 112.2 | I1251 T1278 A1279 I1280 L1285 I1286 | I1251-N1282 HydrophobicContact CD1-CB 3.74Å; I1251-N1282 HydrophobicContact CG1-CB 4.29Å; T1278-N1282 PolarHBondContact O-N 2.96Å; A1279-N1282 PolarHBondContact O-N 3.08Å; I1280-N1282 VanDerWaalsContact C-N 3.32Å; I1280-N1282 PolarHBondContact O-N 3.22Å; N1282-L1285 PolarHBondContact O-N 3.43Å; N1282-I1286 VanDerWaalsContact O-CG1 3.28Å; N1282-I1286 WeakPolarHBondContact O-CG1 3.44Å; N1282-I1286 PolarHBondContact O-N 3.37Å |
| 1283 | V | 73.8 | Confident | 68.1 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -74.1 | -28.4 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 112 | L1247 I1250 I1251 V1263 L1267 A1279 I1280 I1286 C1287 | L1247-V1283 HydrophobicContact CB-CG2 4.05Å; L1247-V1283 HydrophobicContact CD2-CB 3.9Å; L1247-V1283 HydrophobicContact CD2-CG1 4.08Å; L1247-V1283 HydrophobicContact CD2-CG2 3.86Å; I1250-V1283 HydrophobicContact CB-CG2 4.21Å; I1250-V1283 HydrophobicContact CD1-CG1 4.42Å; I1250-V1283 HydrophobicContact CG2-CG1 3.71Å; I1250-V1283 HydrophobicContact CG2-CG2 3.89Å; I1251-V1283 HydrophobicContact CD1-CG2 3.96Å; I1251-V1283 HydrophobicContact CG1-CG2 3.64Å; V1263-V1283 HydrophobicContact CG1-CG1 3.31Å; L1267-V1283 VanDerWaalsContact CD1-C 3.44Å; L1267-V1283 HydrophobicContact CD1-CB 3.81Å; L1267-V1283 HydrophobicContact CD1-CG1 3.62Å; A1279-V1283 WeakPolarHBondContact O-CB 3.4Å; A1279-V1283 VanDerWaalsContact O-CG2 3.27Å; A1279-V1283 WeakPolarHBondContact O-CG2 3.28Å; A1279-V1283 PolarHBondContact O-N 2.73Å; I1280-V1283 PolarHBondContact O-N 3.06Å; V1283-I1286 PolarHBondContact O-N 2.88Å; V1283-C1287 WeakPolarHBondContact O-CB 3.24Å; V1283-C1287 PolarHBondContact O-N 3.11Å |
| 1284 | Q | 76.8 | Confident | 68.8 | Low | 43 Ų | 43 | 57 Ų | 57 | 20% | 0.201 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -51.2 | 167.9 | -78.7 | -178 | 31.2 | 0 | 0 | 109.4 | L1267 I1280 T1281 I1286 C1287 E1288 | L1267-Q1284 HydrophobicContact CD1-CB 4.32Å; L1267-Q1284 HydrophobicContact CD1-CG 3.74Å; L1267-Q1284 VanDerWaalsContact CD1-N 3.34Å; L1267-Q1284 HydrophobicContact CD2-CG 3.95Å; L1267-Q1284 HydrophobicContact CG-CG 3.98Å; I1280-Q1284 HydrophobicContact CG2-CG 4.06Å; I1280-Q1284 VanDerWaalsContact O-CB 3.28Å; I1280-Q1284 WeakPolarHBondContact O-CB 3.29Å; I1280-Q1284 WeakPolarHBondContact O-CG 3.2Å; I1280-Q1284 PolarHBondContact O-N 2.85Å; T1281-Q1284 PolarHBondContact O-N 3.46Å; Q1284-I1286 VanDerWaalsContact C-N 3.3Å; Q1284-I1286 PolarHBondContact O-N 3Å; Q1284-C1287 CarbonylContact O-C 3.57Å; Q1284-C1287 WeakPolarHBondContact O-CA 3.3Å; Q1284-C1287 WeakPolarHBondContact O-CB 3.3Å; Q1284-C1287 PolarHBondContact O-N 2.79Å; Q1284-C1287 VanDerWaalsContact O-N 3.09Å; Q1284-E1288 WeakPolarHBondContact O-CB 3.41Å; Q1284-E1288 WeakPolarHBondContact O-CG 3.46Å; Q1284-E1288 PolarHBondContact O-N 3.24Å |
| 1285 | L | 74 | Confident | 69.9 | Low | 59 Ų | 59 | 56.4 Ų | 56.4 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 177.7 | -171 | 67.5 | 0 | 0 | 0 | 112.4 | T1281 N1282 K1289 | T1281-L1285 WeakPolarHBondContact O-CB 3.27Å; T1281-L1285 PolarHBondContact O-N 3.25Å; N1282-L1285 PolarHBondContact O-N 3.43Å; L1285-K1289 HydrophobicContact CG-CD 4.41Å; L1285-K1289 HydrophobicContact CG-CG 4.49Å; L1285-K1289 WeakPolarHBondContact O-CB 3.29Å; L1285-K1289 VanDerWaalsContact O-CG 3.26Å; L1285-K1289 WeakPolarHBondContact O-CG 3.23Å; L1285-K1289 PolarHBondContact O-N 2.97Å |
| 1286 | I | 74.3 | Confident | 70.9 | Confident | 32 Ų | 32 | 54 Ų | 54 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -44.9 | 171.9 | -70.3 | 163.1 | 0 | 0 | 0 | 110.7 | I1251 N1282 V1283 Q1284 A1290 I1392 | I1251-I1286 HydrophobicContact CG1-CD1 4.2Å; N1282-I1286 VanDerWaalsContact O-CG1 3.28Å; N1282-I1286 WeakPolarHBondContact O-CG1 3.44Å; N1282-I1286 PolarHBondContact O-N 3.37Å; V1283-I1286 PolarHBondContact O-N 2.88Å; Q1284-I1286 VanDerWaalsContact C-N 3.3Å; Q1284-I1286 PolarHBondContact O-N 3Å; I1286-A1290 WeakPolarHBondContact O-CB 3.4Å; I1286-A1290 PolarHBondContact O-N 3.37Å; I1286-I1392 HydrophobicContact CG2-CD1 3.94Å |
| 1287 | C | 74 | Confident | 71.8 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.1 | -89.4 | 0 | 0 | 0 | 0 | 112.8 | L1260 V1263 L1267 V1283 Q1284 A1290 E1291 | L1260-C1287 HydrophobicContact CD1-CB 4.45Å; V1263-C1287 WeakPolarHBondContact CG1-SG 3.26Å; L1267-C1287 HydrophobicContact CD2-CB 4.18Å; V1283-C1287 WeakPolarHBondContact O-CB 3.24Å; V1283-C1287 PolarHBondContact O-N 3.11Å; Q1284-C1287 CarbonylContact O-C 3.57Å; Q1284-C1287 WeakPolarHBondContact O-CA 3.3Å; Q1284-C1287 WeakPolarHBondContact O-CB 3.3Å; Q1284-C1287 PolarHBondContact O-N 2.79Å; Q1284-C1287 VanDerWaalsContact O-N 3.09Å; C1287-A1290 PolarHBondContact O-N 3.05Å; C1287-E1291 WeakPolarHBondContact O-CB 3.19Å; C1287-E1291 PolarHBondContact O-N 2.97Å |
| 1288 | E | 75.1 | Confident | 72 | Confident | 110 Ų | 110 | 49.9 Ų | 49.9 | 51% | 0.514 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -73.5 | -41.5 | -176.8 | -72.9 | 167.9 | -165.2 | 0 | 0 | 111.5 | Q1284 A1290 K1292 | Q1284-E1288 WeakPolarHBondContact O-CB 3.41Å; Q1284-E1288 WeakPolarHBondContact O-CG 3.46Å; Q1284-E1288 PolarHBondContact O-N 3.24Å; E1288-A1290 VanDerWaalsContact C-N 3.34Å; E1288-K1292 WeakPolarHBondContact O-CB 3.44Å; E1288-K1292 PolarHBondContact O-N 3.34Å |
| 1289 | K | 73.7 | Confident | 72.3 | Confident | 68 Ų | 68 | 47.9 Ų | 47.9 | 30% | 0.296 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 167.4 | -76.9 | -178.1 | 175 | -171.8 | 0 | 110.7 | L1285 K1292 Y1293 | L1285-K1289 HydrophobicContact CG-CD 4.41Å; L1285-K1289 HydrophobicContact CG-CG 4.49Å; L1285-K1289 WeakPolarHBondContact O-CB 3.29Å; L1285-K1289 VanDerWaalsContact O-CG 3.26Å; L1285-K1289 WeakPolarHBondContact O-CG 3.23Å; L1285-K1289 PolarHBondContact O-N 2.97Å; K1289-K1292 PolarHBondContact O-N 3.48Å; K1289-Y1293 HydrophobicContact CB-CE2 4.15Å; K1289-Y1293 WeakPolarHBondContact O-CB 3.4Å; K1289-Y1293 VanDerWaalsContact O-CD2 3.3Å; K1289-Y1293 WeakPolarHBondContact O-CD2 3.25Å; K1289-Y1293 PolarHBondContact O-N 3.41Å |
| 1290 | A | 72.2 | Confident | 72.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.8 | -38.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1260 I1286 C1287 E1288 Y1293 E1294 I1392 F1394 | L1260-A1290 HydrophobicContact CD1-CB 4.09Å; I1286-A1290 WeakPolarHBondContact O-CB 3.4Å; I1286-A1290 PolarHBondContact O-N 3.37Å; C1287-A1290 PolarHBondContact O-N 3.05Å; E1288-A1290 VanDerWaalsContact C-N 3.34Å; A1290-Y1293 PolarHBondContact O-N 3.32Å; A1290-E1294 VanDerWaalsContact O-CB 3.26Å; A1290-E1294 WeakPolarHBondContact O-CB 3.49Å; A1290-E1294 PolarHBondContact O-N 3.36Å; A1290-I1392 HydrophobicContact CB-CB 4.23Å; A1290-I1392 HydrophobicContact CB-CD1 3.53Å; A1290-I1392 HydrophobicContact CB-CG1 4.45Å; A1290-I1392 HydrophobicContact CB-CG2 4.36Å; A1290-F1394 HydrophobicContact CB-CZ 3.95Å |
| 1291 | E | 74.9 | Confident | 72.5 | Confident | 56 Ų | 56 | 48.4 Ų | 48.4 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.1 | -42 | 169.9 | -86.2 | -161.4 | -156 | 0 | 0 | 112.1 | L1260 K1264 C1287 Y1293 E1294 K1295 | L1260-E1291 HydrophobicContact CD2-CG 3.99Å; K1264-E1291 WeakPolarHBondContact CE-OE1 3.41Å; K1264-E1291 IonicContact NZ-OE1 2.85Å; K1264-E1291 PolarHBondContact NZ-OE1 3.38Å; C1287-E1291 WeakPolarHBondContact O-CB 3.19Å; C1287-E1291 PolarHBondContact O-N 2.97Å; E1291-Y1293 VanDerWaalsContact C-N 3.34Å; E1291-E1294 PolarHBondContact O-N 3.46Å; E1291-K1295 VanDerWaalsContact O-CB 3.28Å; E1291-K1295 WeakPolarHBondContact O-CB 3.3Å; E1291-K1295 WeakPolarHBondContact O-CD 3.27Å; E1291-K1295 WeakPolarHBondContact O-CG 3.46Å; E1291-K1295 PolarHBondContact O-N 3.18Å; E1291-K1295 WeakPolarHBondContact OE2-CE 3.43Å; E1291-K1295 IonicContact OE2-NZ 3.8Å; E1291-K1295 PolarHBondContact OE2-NZ 2.96Å |
| 1292 | K | 76.3 | Confident | 72.3 | Confident | 96 Ų | 96 | 50 Ų | 50 | 42% | 0.417 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61 | -46.2 | 175.5 | -176.7 | 168.6 | -178.2 | 169.9 | 0 | 109.7 | E1288 K1289 K1295 Q1296 E1359 | E1288-K1292 WeakPolarHBondContact O-CB 3.44Å; E1288-K1292 PolarHBondContact O-N 3.34Å; K1289-K1292 PolarHBondContact O-N 3.48Å; K1292-K1295 PolarHBondContact O-N 2.97Å; K1292-Q1296 HydrophobicContact CG-CG 4.24Å; K1292-Q1296 WeakPolarHBondContact O-CB 3.45Å; K1292-Q1296 VanDerWaalsContact O-CG 3.23Å; K1292-Q1296 WeakPolarHBondContact O-CG 3.32Å; K1292-Q1296 PolarHBondContact O-N 3.27Å; K1292-E1359 IonicContact NZ-OE2 3.17Å; K1292-E1359 PolarHBondContact NZ-OE2 2.91Å |
| 1293 | Y | 74.8 | Confident | 72 | Confident | 30 Ų | 30 | 49 Ų | 49 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.2 | -36 | 177.9 | -59.2 | -26.4 | 0 | 0 | 0 | 113.1 | K1289 A1290 E1291 Q1296 F1297 L1383 N1386 I1387 | K1289-Y1293 HydrophobicContact CB-CE2 4.15Å; K1289-Y1293 WeakPolarHBondContact O-CB 3.4Å; K1289-Y1293 VanDerWaalsContact O-CD2 3.3Å; K1289-Y1293 WeakPolarHBondContact O-CD2 3.25Å; K1289-Y1293 PolarHBondContact O-N 3.41Å; A1290-Y1293 PolarHBondContact O-N 3.32Å; E1291-Y1293 VanDerWaalsContact C-N 3.34Å; Y1293-Q1296 PolarHBondContact O-N 2.69Å; Y1293-F1297 WeakPolarHBondContact O-CB 3.31Å; Y1293-F1297 PolarHBondContact O-N 2.83Å; Y1293-L1383 HydrophobicContact CD1-CD1 4.02Å; Y1293-L1383 HydrophobicContact CG-CD1 4.4Å; Y1293-N1386 HydrophobicContact CE1-CB 3.93Å; Y1293-N1386 HydrophobicContact CE2-CB 4Å; Y1293-N1386 VanDerWaalsContact CE2-O 3.23Å; Y1293-N1386 WeakPolarHBondContact CE2-O 3.49Å; Y1293-I1387 HydrophobicContact CD2-CG1 4.14Å; Y1293-I1387 HydrophobicContact CG-CG1 4.19Å |
| 1294 | E | 73 | Confident | 71.6 | Confident | 98 Ų | 98 | 49.2 Ų | 49.2 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -47 | 174.4 | -172.4 | 169.1 | -136.4 | 0 | 0 | 110.5 | L1260 A1290 E1291 F1297 E1298 F1394 | L1260-E1294 WeakPolarHBondContact CD2-OE2 3.4Å; A1290-E1294 VanDerWaalsContact O-CB 3.26Å; A1290-E1294 WeakPolarHBondContact O-CB 3.49Å; A1290-E1294 PolarHBondContact O-N 3.36Å; E1291-E1294 PolarHBondContact O-N 3.46Å; E1294-F1297 PolarHBondContact O-N 3.46Å; E1294-E1298 VanDerWaalsContact O-CB 3.23Å; E1294-E1298 WeakPolarHBondContact O-CB 3.44Å; E1294-E1298 PolarHBondContact O-N 2.71Å; E1294-F1394 HydrophobicContact CB-CE1 3.99Å |
| 1295 | K | 71.6 | Confident | 70.9 | Confident | 107 Ų | 107 | 48.9 Ų | 48.9 | 47% | 0.465 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 174.8 | -69.7 | 165.2 | -170.5 | 165.8 | 0 | 111.7 | E1291 K1292 E1298 L1299 | E1291-K1295 VanDerWaalsContact O-CB 3.28Å; E1291-K1295 WeakPolarHBondContact O-CB 3.3Å; E1291-K1295 WeakPolarHBondContact O-CD 3.27Å; E1291-K1295 WeakPolarHBondContact O-CG 3.46Å; E1291-K1295 PolarHBondContact O-N 3.18Å; E1291-K1295 WeakPolarHBondContact OE2-CE 3.43Å; E1291-K1295 IonicContact OE2-NZ 3.8Å; E1291-K1295 PolarHBondContact OE2-NZ 2.96Å; K1292-K1295 PolarHBondContact O-N 2.97Å; K1295-E1298 PolarHBondContact O-N 3.32Å; K1295-L1299 WeakPolarHBondContact O-CB 3.17Å; K1295-L1299 WeakPolarHBondContact O-CD1 3.43Å; K1295-L1299 WeakPolarHBondContact O-CG 3.36Å; K1295-L1299 PolarHBondContact O-N 3.09Å |
| 1296 | Q | 71.1 | Confident | 69.6 | Low | 21 Ų | 21 | 52.7 Ų | 52.7 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 176.6 | -79.4 | -177.6 | -43.5 | 0 | 0 | 112.2 | K1292 Y1293 F1300 I1360 L1383 | K1292-Q1296 HydrophobicContact CG-CG 4.24Å; K1292-Q1296 WeakPolarHBondContact O-CB 3.45Å; K1292-Q1296 VanDerWaalsContact O-CG 3.23Å; K1292-Q1296 WeakPolarHBondContact O-CG 3.32Å; K1292-Q1296 PolarHBondContact O-N 3.27Å; Y1293-Q1296 PolarHBondContact O-N 2.69Å; Q1296-F1300 WeakPolarHBondContact O-CB 3.49Å; Q1296-F1300 PolarHBondContact O-N 3.3Å; Q1296-I1360 HydrophobicContact CG-CD1 3.84Å; Q1296-L1383 HydrophobicContact CB-CD1 4.05Å; Q1296-L1383 HydrophobicContact CB-CD2 4.37Å |
| 1297 | F | 72.6 | Confident | 68 | Low | 21 Ų | 21 | 54.9 Ų | 54.9 | 9% | 0.092 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.1 | -40.2 | 177.6 | -163.3 | -79.1 | 0 | 0 | 0 | 111.3 | Y1293 E1294 F1300 A1301 F1380 L1383 I1387 N1397 I1400 | Y1293-F1297 WeakPolarHBondContact O-CB 3.31Å; Y1293-F1297 PolarHBondContact O-N 2.83Å; E1294-F1297 PolarHBondContact O-N 3.46Å; F1297-F1300 PolarHBondContact O-N 3.47Å; F1297-A1301 VanDerWaalsContact O-CB 3.22Å; F1297-A1301 WeakPolarHBondContact O-CB 3.49Å; F1297-A1301 PolarHBondContact O-N 2.84Å; F1297-F1380 HydrophobicContact CE2-CD2 4.5Å; F1297-F1380 AromaticContact CE2-CE2 3.67Å; F1297-F1380 HydrophobicContact CE2-CE2 3.67Å; F1297-F1380 HydrophobicContact CE2-CZ 4.33Å; F1297-F1380 AromaticContact CZ-CE2 3.95Å; F1297-F1380 HydrophobicContact CZ-CE2 3.95Å; F1297-L1383 HydrophobicContact CB-CD2 4.04Å; F1297-L1383 HydrophobicContact CD2-CD2 3.88Å; F1297-L1383 HydrophobicContact CD2-CG 4.34Å; F1297-L1383 HydrophobicContact CG-CD2 4.37Å; F1297-I1387 HydrophobicContact CD2-CD1 3.86Å; F1297-N1397 HydrophobicContact CE1-CB 4.48Å; F1297-N1397 HydrophobicContact CZ-CB 4.18Å; F1297-I1400 HydrophobicContact CE1-CD1 4.27Å; F1297-I1400 HydrophobicContact CZ-CD1 4.38Å |
| 1298 | E | 66.5 | Low | 66 | Low | 84 Ų | 84 | 59.2 Ų | 59.2 | 39% | 0.393 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 175.4 | -158.4 | -150.6 | -171.6 | 0 | 0 | 111.4 | E1294 K1295 A1301 K1302 | E1294-E1298 VanDerWaalsContact O-CB 3.23Å; E1294-E1298 WeakPolarHBondContact O-CB 3.44Å; E1294-E1298 PolarHBondContact O-N 2.71Å; K1295-E1298 PolarHBondContact O-N 3.32Å; E1298-A1301 PolarHBondContact O-N 3.38Å; E1298-K1302 HydrophobicContact CG-CD 4.24Å; E1298-K1302 VanDerWaalsContact O-CB 3.23Å; E1298-K1302 WeakPolarHBondContact O-CB 3.42Å; E1298-K1302 WeakPolarHBondContact O-CD 3.47Å; E1298-K1302 WeakPolarHBondContact O-CG 3.44Å; E1298-K1302 PolarHBondContact O-N 3.43Å; E1298-K1302 WeakPolarHBondContact OE1-CE 3.45Å; E1298-K1302 IonicContact OE1-NZ 2.71Å; E1298-K1302 PolarHBondContact OE1-NZ 3.34Å; E1298-K1302 IonicContact OE2-NZ 2.66Å; E1298-K1302 PolarHBondContact OE2-NZ 2.99Å |
| 1299 | L | 68 | Low | 63.7 | Low | 48 Ų | 48 | 59.3 Ų | 59.3 | 25% | 0.251 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 172.3 | -76.9 | 167.1 | 0 | 0 | 0 | 111.6 | K1295 A1301 K1302 L1303 I1360 | K1295-L1299 WeakPolarHBondContact O-CB 3.17Å; K1295-L1299 WeakPolarHBondContact O-CD1 3.43Å; K1295-L1299 WeakPolarHBondContact O-CG 3.36Å; K1295-L1299 PolarHBondContact O-N 3.09Å; L1299-A1301 VanDerWaalsContact C-N 3.34Å; L1299-A1301 PolarHBondContact O-N 3.35Å; L1299-K1302 PolarHBondContact O-N 2.74Å; L1299-L1303 WeakPolarHBondContact O-CB 3.4Å; L1299-L1303 WeakPolarHBondContact O-CG 3.48Å; L1299-L1303 PolarHBondContact O-N 2.71Å; L1299-I1360 HydrophobicContact CD1-CD1 4.05Å |
| 1300 | F | 71.8 | Confident | 61.4 | Low | 1 Ų | 1 | 62.1 Ų | 62.1 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -41 | 176.2 | -175.9 | -94.4 | 0 | 0 | 0 | 111.8 | Q1296 F1297 L1303 L1304 W1376 Y1379 F1380 I1400 L1404 | Q1296-F1300 WeakPolarHBondContact O-CB 3.49Å; Q1296-F1300 PolarHBondContact O-N 3.3Å; F1297-F1300 PolarHBondContact O-N 3.47Å; F1300-L1303 PolarHBondContact O-N 3.41Å; F1300-L1304 HydrophobicContact CE1-CD2 4.26Å; F1300-L1304 WeakPolarHBondContact O-CB 3.19Å; F1300-L1304 PolarHBondContact O-N 2.65Å; F1300-W1376 HydrophobicContact CD2-CE3 4.26Å; F1300-W1376 HydrophobicContact CD2-CZ3 4.47Å; F1300-W1376 HydrophobicContact CE2-CB 4.47Å; F1300-W1376 HydrophobicContact CE2-CD2 4.27Å; F1300-W1376 AromaticContact CE2-CE3 3.51Å; F1300-W1376 HydrophobicContact CE2-CE3 3.51Å; F1300-W1376 HydrophobicContact CE2-CZ3 4.13Å; F1300-W1376 AromaticContact CZ-CE3 3.9Å; F1300-W1376 HydrophobicContact CZ-CE3 3.9Å; F1300-Y1379 HydrophobicContact CB-CE1 4.27Å; F1300-Y1379 AromaticContact CD2-CD1 3.49Å; F1300-Y1379 HydrophobicContact CD2-CD1 3.49Å; F1300-Y1379 VanDerWaalsContact CD2-CD1 3.49Å; F1300-Y1379 AromaticContact CD2-CE1 3.63Å; F1300-Y1379 HydrophobicContact CD2-CE1 3.63Å; F1300-Y1379 AromaticContact CE2-CD1 3.69Å; F1300-Y1379 HydrophobicContact CE2-CD1 3.69Å; F1300-Y1379 HydrophobicContact CE2-CE1 4.31Å; F1300-Y1379 HydrophobicContact CG-CD1 4.32Å; F1300-Y1379 HydrophobicContact CG-CE1 4.18Å; F1300-F1380 AromaticContact CD1-CD2 3.95Å; F1300-F1380 HydrophobicContact CD1-CD2 3.95Å; F1300-F1380 HydrophobicContact CE1-CB 3.98Å; F1300-F1380 AromaticContact CE1-CD2 3.52Å; F1300-F1380 HydrophobicContact CE1-CD2 3.52Å; F1300-F1380 HydrophobicContact CE1-CE2 4.43Å; F1300-F1380 HydrophobicContact CE1-CG 4.1Å; F1300-F1380 HydrophobicContact CZ-CB 3.83Å; F1300-F1380 HydrophobicContact CZ-CD2 4.26Å; F1300-F1380 HydrophobicContact CZ-CG 4.44Å; F1300-I1400 HydrophobicContact CE1-CG2 4.06Å; F1300-L1404 HydrophobicContact CE1-CD1 3.99Å; F1300-L1404 HydrophobicContact CZ-CD1 3.88Å; F1300-L1404 HydrophobicContact CZ-CD2 4.43Å |
| 1301 | A | 67.6 | Low | 59.2 | Low | 21 Ų | 21 | 65 Ų | 65 | 17% | 0.174 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1297 E1298 L1299 L1303 L1305 I1400 | F1297-A1301 VanDerWaalsContact O-CB 3.22Å; F1297-A1301 WeakPolarHBondContact O-CB 3.49Å; F1297-A1301 PolarHBondContact O-N 2.84Å; E1298-A1301 PolarHBondContact O-N 3.38Å; L1299-A1301 VanDerWaalsContact C-N 3.34Å; L1299-A1301 PolarHBondContact O-N 3.35Å; A1301-L1303 VanDerWaalsContact C-N 3.33Å; A1301-L1305 HydrophobicContact CB-CD1 4.49Å; A1301-L1305 WeakPolarHBondContact O-CA 3.35Å; A1301-L1305 WeakPolarHBondContact O-CB 3.44Å; A1301-L1305 PolarHBondContact O-N 2.9Å; A1301-I1400 HydrophobicContact CB-CD1 4.33Å |
| 1302 | K | 64.5 | Low | 56.9 | Low | 112 Ų | 112 | 67.1 Ų | 67.1 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 175.1 | -79.9 | 166.9 | 176.4 | 171 | 0 | 112.7 | E1298 L1299 R1306 | E1298-K1302 HydrophobicContact CG-CD 4.24Å; E1298-K1302 VanDerWaalsContact O-CB 3.23Å; E1298-K1302 WeakPolarHBondContact O-CB 3.42Å; E1298-K1302 WeakPolarHBondContact O-CD 3.47Å; E1298-K1302 WeakPolarHBondContact O-CG 3.44Å; E1298-K1302 PolarHBondContact O-N 3.43Å; E1298-K1302 WeakPolarHBondContact OE1-CE 3.45Å; E1298-K1302 IonicContact OE1-NZ 2.71Å; E1298-K1302 PolarHBondContact OE1-NZ 3.34Å; E1298-K1302 IonicContact OE2-NZ 2.66Å; E1298-K1302 PolarHBondContact OE2-NZ 2.99Å; L1299-K1302 PolarHBondContact O-N 2.74Å; K1302-R1306 WeakPolarHBondContact O-CA 3.47Å; K1302-R1306 PolarHBondContact O-N 2.74Å |
| 1303 | L | 66.2 | Low | 54.6 | Low | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.099 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.2 | -66.5 | 169.6 | -76.8 | 167.5 | 0 | 0 | 0 | 109.6 | L1299 F1300 A1301 L1305 M1356 L1366 W1376 Q1642 | L1299-L1303 WeakPolarHBondContact O-CB 3.4Å; L1299-L1303 WeakPolarHBondContact O-CG 3.48Å; L1299-L1303 PolarHBondContact O-N 2.71Å; F1300-L1303 PolarHBondContact O-N 3.41Å; A1301-L1303 VanDerWaalsContact C-N 3.33Å; L1303-L1305 PolarHBondContact O-N 2.74Å; L1303-M1356 HydrophobicContact CD2-SD 3.96Å; L1303-L1366 HydrophobicContact CD2-CD2 3.98Å; L1303-W1376 HydrophobicContact CB-CH2 4.04Å; L1303-W1376 HydrophobicContact CB-CZ3 4.09Å; L1303-W1376 HydrophobicContact CD1-CH2 4.44Å; L1303-Q1642 PolarHBondContact O-NE2 3.28Å; L1303-Q1642 PolarHBondContact O-OE1 2.73Å |
| 1304 | L | 65.6 | Low | 52.3 | Low | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.016 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | -170.7 | -164.4 | 77.1 | 0 | 0 | 0 | 113.1 | F1300 W1376 I1400 L1403 L1404 L1638 F1643 | F1300-L1304 HydrophobicContact CE1-CD2 4.26Å; F1300-L1304 WeakPolarHBondContact O-CB 3.19Å; F1300-L1304 PolarHBondContact O-N 2.65Å; L1304-W1376 HydrophobicContact CB-CZ3 4.39Å; L1304-W1376 HydrophobicContact CD1-CE3 3.85Å; L1304-W1376 HydrophobicContact CD1-CZ3 4.01Å; L1304-I1400 HydrophobicContact CD2-CG2 3.89Å; L1304-L1403 HydrophobicContact CD2-CD2 3.67Å; L1304-L1403 HydrophobicContact CD2-CG 4.41Å; L1304-L1403 HydrophobicContact CG-CD2 4.13Å; L1304-L1404 HydrophobicContact CD1-CD2 4.03Å; L1304-L1404 HydrophobicContact CD2-CD2 4.14Å; L1304-L1404 HydrophobicContact CD2-CG 4.26Å; L1304-L1638 HydrophobicContact CG-CD2 4.49Å; L1304-L1638 WeakPolarHBondContact O-CD2 3.12Å; L1304-L1638 WeakPolarHBondContact O-CG 3.45Å; L1304-F1643 HydrophobicContact CD1-CE2 4.14Å; L1304-F1643 HydrophobicContact CD1-CZ 4.11Å |
| 1305 | L | 61.7 | Low | 50.1 | Low | 37 Ų | 37 | 71.1 Ų | 71.1 | 19% | 0.194 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 32.6 | -171.7 | -46.5 | 174.7 | 0 | 0 | 0 | 112.7 | A1301 L1303 N1307 V1308 I1400 L1403 L1638 | A1301-L1305 HydrophobicContact CB-CD1 4.49Å; A1301-L1305 WeakPolarHBondContact O-CA 3.35Å; A1301-L1305 WeakPolarHBondContact O-CB 3.44Å; A1301-L1305 PolarHBondContact O-N 2.9Å; L1303-L1305 PolarHBondContact O-N 2.74Å; L1305-N1307 CarbonylContact O-C 3.57Å; L1305-N1307 PolarHBondContact O-N 3.37Å; L1305-V1308 HydrophobicContact CB-CG2 3.7Å; L1305-V1308 HydrophobicContact CD1-CG2 4.13Å; L1305-V1308 PolarHBondContact O-N 2.79Å; L1305-I1400 HydrophobicContact CD1-CD1 4Å; L1305-I1400 HydrophobicContact CD1-CG1 4.07Å; L1305-L1403 HydrophobicContact CD2-CD2 3.84Å; L1305-L1638 HydrophobicContact CD2-CD1 3.82Å; L1305-L1638 HydrophobicContact CD2-CD2 4.21Å; L1305-L1638 HydrophobicContact CD2-CG 4.32Å |
| 1306 | R | 46.5 | Very low | 48 | Very low | 139 Ų | 139 | 70.5 Ų | 70.5 | 53% | 0.525 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.8 | 117.3 | 179.6 | -161.1 | 176 | -172.2 | 177.8 | 2 | 110.7 | K1302 C1639 | K1302-R1306 WeakPolarHBondContact O-CA 3.47Å; K1302-R1306 PolarHBondContact O-N 2.74Å; R1306-C1639 HydrophobicContact CB-CB 4.22Å |
| 1307 | N | 39.6 | Very low | 45.8 | Very low | 77 Ų | 77 | 78.9 Ų | 78.9 | 41% | 0.412 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 38.2 | -166.4 | -54.4 | 2.5 | 0 | 0 | 0 | 117.7 | L1305 S1309 E1635 | L1305-N1307 CarbonylContact O-C 3.57Å; L1305-N1307 PolarHBondContact O-N 3.37Å; N1307-S1309 PolarHBondContact O-N 2.67Å; N1307-E1635 WeakPolarHBondContact CB-O 3.33Å; N1307-E1635 WeakPolarHBondContact ND2-CB 3.42Å; N1307-E1635 PolarHBondContact ND2-O 3.14Å; N1307-E1635 PolarHBondContact ND2-OE2 3.4Å |
| 1308 | V | 32.4 | Very low | 43.7 | Very low | 96 Ų | 96 | 87.2 Ų | 87.2 | 58% | 0.582 | 47% | 0.466 | S | S | * | . | trans | -76.2 | 95.2 | 149.4 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | L1305 L1310 | L1305-V1308 HydrophobicContact CB-CG2 3.7Å; L1305-V1308 HydrophobicContact CD1-CG2 4.13Å; L1305-V1308 PolarHBondContact O-N 2.79Å; V1308-L1310 VanDerWaalsContact C-N 3.26Å; V1308-L1310 HydrophobicContact CG1-CG 4.31Å; V1308-L1310 PolarHBondContact O-N 3.43Å | ||
| 1309 | S | 27 | Very low | 41.8 | Very low | 111 Ų | 111 | 89.7 Ų | 89.7 | 78% | 0.776 | 48% | 0.482 | S | S | * | . | trans | -70.2 | 79.1 | 170.1 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | N1307 S1311 | N1307-S1309 PolarHBondContact O-N 2.67Å; S1309-S1311 PolarHBondContact O-N 2.91Å | ||
| 1310 | L | 26.6 | Very low | 39.7 | Very low | 127 Ų | 127 | 97 Ų | 97 | 67% | 0.665 | 51% | 0.507 | S | S | * | . | trans | -59.1 | 130.8 | 157.6 | -76.2 | 170.8 | 0 | 0 | 0 | 108.2 | V1308 | V1308-L1310 VanDerWaalsContact C-N 3.26Å; V1308-L1310 HydrophobicContact CG1-CG 4.31Å; V1308-L1310 PolarHBondContact O-N 3.43Å | ||
| 1311 | S | 24.7 | Very low | 37.5 | Very low | 60 Ų | 60 | 104.3 Ų | 104.3 | 42% | 0.42 | 55% | 0.546 | S | S | . | . | trans | -60.8 | 138.6 | -174 | 46.1 | 0 | 0 | 0 | 0 | 111.8 | S1309 S1313 S1314 | S1309-S1311 PolarHBondContact O-N 2.91Å; S1311-S1313 WeakPolarHBondContact CB-OG 3.35Å; S1311-S1313 PolarHBondContact O-N 3.12Å; S1311-S1313 PolarHBondContact OG-OG 2.66Å; S1311-S1313 VanDerWaalsContact OG-OG 3.13Å; S1311-S1314 PolarHBondContact O-N 3.21Å | ||
| 1312 | P | 26.6 | Very low | 35.6 | Very low | 101 Ų | 101 | 109.9 Ų | 109.9 | 66% | 0.656 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -11 | 179.9 | -27.6 | 35.7 | 0 | 0 | 0 | 115.7 | S1314 N1316 | P1312-S1314 VanDerWaalsContact C-N 3.31Å; P1312-N1316 PolarHBondContact O-ND2 3.46Å |
| 1313 | S | 27.4 | Very low | 33.6 | Very low | 100 Ų | 100 | 114.7 Ų | 114.7 | 70% | 0.699 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -13.3 | 172.3 | 44.1 | 0 | 0 | 0 | 0 | 114.9 | S1311 | S1311-S1313 WeakPolarHBondContact CB-OG 3.35Å; S1311-S1313 PolarHBondContact O-N 3.12Å; S1311-S1313 PolarHBondContact OG-OG 2.66Å; S1311-S1313 VanDerWaalsContact OG-OG 3.13Å |
| 1314 | S | 27.8 | Very low | 31.6 | Very low | 91 Ų | 91 | 123.2 Ų | 123.2 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -107.1 | -3.6 | -177.8 | -56.3 | 0 | 0 | 0 | 0 | 114.6 | S1311 P1312 | S1311-S1314 PolarHBondContact O-N 3.21Å; P1312-S1314 VanDerWaalsContact C-N 3.31Å |
| 1315 | L | 26.4 | Very low | 29.8 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 61% | 0.613 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -117.4 | 3.1 | -177 | -143.3 | 78.2 | 0 | 0 | 0 | 113.8 | ||
| 1316 | N | 26.9 | Very low | 28.1 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 50% | 0.503 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -99.8 | -3.7 | -165.1 | -108.1 | -61.3 | 0 | 0 | 0 | 116.2 | P1312 | P1312-N1316 PolarHBondContact O-ND2 3.46Š|
| 1317 | E | 26.7 | Very low | 27 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 93% | 0.925 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -101.7 | -17.3 | 175.9 | -84.9 | -174.6 | 141.8 | 0 | 0 | 114.6 | ||
| 1318 | Y | 27.1 | Very low | 26.3 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -98.6 | 5.2 | -178.7 | -135.2 | -95.4 | 0 | 0 | 0 | 114.8 | ||
| 1319 | N | 27.2 | Very low | 25.9 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -128.7 | 39 | -172.8 | -107 | -36.7 | 0 | 0 | 0 | 113.4 | ||
| 1320 | R | 24.5 | Very low | 25.8 | Very low | 203 Ų | 203 | 144.8 Ų | 144.8 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -125.8 | -15.3 | 175.9 | -84.7 | -173.8 | 171.8 | 175.4 | -0 | 117 | ||
| 1321 | N | 24.9 | Very low | 25.7 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -124 | 56.9 | -173.8 | -75.2 | -8 | 0 | 0 | 0 | 114 | ||
| 1322 | T | 27.3 | Very low | 25.6 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 173.5 | 76.1 | 146 | 41.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1323 | F | 23.4 | Very low | 25.6 | Very low | 212 Ų | 212 | 146.5 Ų | 146.5 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | trans | -162.2 | 65.7 | 154.9 | -119.8 | -68.6 | 0 | 0 | 0 | 112.4 | ||||
| 1324 | K | 24.6 | Very low | 25.5 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | trans | -146.1 | 145.3 | 162.2 | -79.8 | -162.9 | 175.8 | -176.3 | 0 | 109.2 | ||||
| 1325 | Q | 27.1 | Very low | 25.5 | Very low | 174 Ų | 174 | 153.2 Ų | 153.2 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | 64.7 | 124.2 | -168.7 | -60.8 | 177.7 | -93.8 | 0 | 0 | 112.4 | ||||
| 1326 | E | 26.5 | Very low | 25.5 | Very low | 162 Ų | 162 | 153.5 Ų | 153.5 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | cis | -147.6 | 142.9 | 3.1 | -131.1 | 148.3 | -124 | 0 | 0 | 113.3 | ||||
| 1327 | Q | 22.7 | Very low | 25.4 | Very low | 188 Ų | 188 | 156.3 Ų | 156.3 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | -91.6 | 136.5 | 161.3 | -59.7 | 172.3 | -74.7 | 0 | 0 | 107.2 | ||||
| 1328 | C | 24.2 | Very low | 25.4 | Very low | 92 Ų | 92 | 153.2 Ų | 153.2 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | 160 | 158.4 | 89.2 | -167.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1329 | C | 24.6 | Very low | 25.3 | Very low | 104 Ų | 104 | 150.9 Ų | 150.9 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | trans | 76.2 | 145.5 | 136.3 | -61.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1330 | Y | 24.5 | Very low | 25.3 | Very low | 195 Ų | 195 | 150.5 Ų | 150.5 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | cis | -176.1 | 153.8 | -32 | -125.5 | -63.9 | 0 | 0 | 0 | 107.1 | ||||
| 1331 | T | 24.4 | Very low | 25.3 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | trans | 60.7 | 164.1 | 162.3 | 52.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 1332 | E | 23.9 | Very low | 25.4 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | cis | -151.9 | 168.5 | -17.5 | -117 | -178.1 | -172.1 | 0 | 0 | 105.6 | K1334 | E1332-K1334 WeakPolarHBondContact OE1-CE 3.38Å; E1332-K1334 IonicContact OE1-NZ 2.7Å; E1332-K1334 PolarHBondContact OE1-NZ 3.11Å; E1332-K1334 IonicContact OE2-NZ 2.69Å; E1332-K1334 PolarHBondContact OE2-NZ 3.38Å | ||
| 1333 | G | 25.7 | Very low | 25.3 | Very low | 58 Ų | 58 | 146.2 Ų | 146.2 | 60% | 0.598 | 72% | 0.723 | S | S | * | * | cis | -179.1 | 147.9 | -0.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1334 | K | 25.5 | Very low | 25.3 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | 102.4 | 158 | 99.5 | -79.8 | 171.2 | -177.3 | 157.3 | 0 | 113.5 | E1332 | E1332-K1334 WeakPolarHBondContact OE1-CE 3.38Å; E1332-K1334 IonicContact OE1-NZ 2.7Å; E1332-K1334 PolarHBondContact OE1-NZ 3.11Å; E1332-K1334 IonicContact OE2-NZ 2.69Å; E1332-K1334 PolarHBondContact OE2-NZ 3.38Å | |||
| 1335 | Q | 27 | Very low | 25.4 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | 74.6 | 125.5 | 177.2 | -53.9 | -169.8 | 8.5 | 0 | 0 | 116.4 | ||||
| 1336 | N | 27.1 | Very low | 25.4 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 65% | 0.652 | 71% | 0.708 | S | S | * | * | cis | -143.7 | 148.1 | -12.6 | -88 | -35 | 0 | 0 | 0 | 107.4 | ||||
| 1337 | K | 25.7 | Very low | 25.4 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 67% | 0.665 | 71% | 0.707 | S | S | * | * | 59.7 | 138.7 | 60.2 | -81.7 | 177.2 | 157.2 | -109.9 | 0 | 112 | |||||
| 1338 | E | 25 | Very low | 25.6 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 62% | 0.621 | 70% | 0.696 | S | S | * | * | cis | -158.5 | 147.5 | 2.8 | -135.1 | 150.3 | -179.3 | 0 | 0 | 107.1 | ||||
| 1339 | E | 26.4 | Very low | 25.8 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | 169.4 | 171.7 | 84.5 | -78.1 | -149.9 | 141 | 0 | 0 | 105.9 | |||||
| 1340 | K | 27.4 | Very low | 25.7 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 56% | 0.557 | 71% | 0.713 | S | S | * | * | cis | -179.7 | 174.3 | -17.7 | -94.6 | -178.2 | 170.2 | 154.8 | 0 | 105.2 | ||||
| 1341 | E | 24.6 | Very low | 25.8 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | cis | -162.8 | 172.6 | -25.5 | -101.8 | 161.4 | -173.3 | 0 | 0 | 103.7 | ||||
| 1342 | E | 25.4 | Very low | 26 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | cis | -114.1 | 172.8 | 8.6 | -63 | 179.1 | 86.2 | 0 | 0 | 109.2 | ||||
| 1343 | A | 24.9 | Very low | 26.3 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 58% | 0.579 | 73% | 0.733 | S | S | * | * | cis | 74.2 | 133.8 | 27.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1344 | N | 24.9 | Very low | 26.5 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | cis | -150.1 | -168.7 | -16.3 | -89 | -32.6 | 0 | 0 | 0 | 106.4 | ||||
| 1345 | T | 25.1 | Very low | 27.1 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | cis | -165.5 | 167.7 | 16.8 | -26.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1346 | A | 27.9 | Very low | 27.8 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | trans | 72.9 | 144 | 149.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1347 | D | 27 | Very low | 29.3 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | cis | -162.5 | 157 | -33 | -138.3 | -6.2 | 0 | 0 | 0 | 113.6 | ||||
| 1348 | N | 25.9 | Very low | 30.9 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 65% | 0.647 | 72% | 0.718 | S | S | * | * | trans | 29.8 | 107 | 158 | -65.7 | -52.8 | 0 | 0 | 0 | 122.1 | ||||
| 1349 | N | 28.1 | Very low | 32.8 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 91% | 0.909 | 72% | 0.715 | S | S | * | * | -179.8 | 153.3 | 100.4 | -93.6 | -32.7 | 0 | 0 | 0 | 111.4 | |||||
| 1350 | G | 24.3 | Very low | 34.7 | Very low | 74 Ų | 74 | 123.6 Ų | 123.6 | 76% | 0.763 | 68% | 0.684 | S | S | * | * | trans | -136.3 | 158.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1351 | I | 26.7 | Very low | 36.5 | Very low | 165 Ų | 165 | 118.5 Ų | 118.5 | 85% | 0.846 | 66% | 0.663 | S | S | * | * | trans | -136.5 | 142 | 165.6 | -72.4 | 179.2 | 0 | 0 | 0 | 107.4 | Q1353 | I1351-Q1353 PolarHBondContact O-N 2.85Š| ||
| 1352 | N | 27.9 | Very low | 38.6 | Very low | 166 Ų | 166 | 116.9 Ų | 116.9 | 89% | 0.888 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 123.2 | -178.3 | -60.9 | -41.4 | 0 | 0 | 0 | 111.8 | ||
| 1353 | Q | 30.4 | Very low | 40.7 | Very low | 188 Ų | 188 | 114.5 Ų | 114.5 | 88% | 0.879 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 129.4 | 167.4 | -74.5 | -173.2 | -17.4 | 0 | 0 | 110.5 | I1351 | I1351-Q1353 PolarHBondContact O-N 2.85Š|
| 1354 | C | 29.8 | Very low | 42.8 | Very low | 118 Ų | 118 | 111.2 Ų | 111.2 | 80% | 0.797 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 132.6 | 163.8 | -164 | 0 | 0 | 0 | 0 | 108.4 | M1356 | C1354-M1356 PolarHBondContact O-N 3.38Å; C1354-M1356 VanDerWaalsContact O-N 3.13Å |
| 1355 | T | 36.7 | Very low | 44.9 | Very low | 138 Ų | 138 | 104.3 Ų | 104.3 | 85% | 0.847 | 58% | 0.584 | S | S | * | * | trans | -68.4 | 108 | 178.5 | 47.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1356 | M | 43.2 | Very low | 46.9 | Very low | 81 Ų | 81 | 99.5 Ų | 99.5 | 40% | 0.399 | 55% | 0.554 | S | S | . | * | trans | -76.7 | 152.9 | 167.2 | -69.8 | -170.2 | -81.5 | 0 | 0 | 110 | L1303 C1354 Q1358 L1361 | L1303-M1356 HydrophobicContact CD2-SD 3.96Å; C1354-M1356 PolarHBondContact O-N 3.38Å; C1354-M1356 VanDerWaalsContact O-N 3.13Å; M1356-Q1358 PolarHBondContact O-N 3.43Å; M1356-Q1358 VanDerWaalsContact O-N 3.14Å; M1356-L1361 HydrophobicContact CB-CD1 4.05Å; M1356-L1361 HydrophobicContact CB-CD2 4.37Å; M1356-L1361 HydrophobicContact CB-CG 4.3Å; M1356-L1361 HydrophobicContact CE-CD1 4.04Å; M1356-L1361 HydrophobicContact CE-CD2 4.14Å; M1356-L1361 HydrophobicContact SD-CD2 4.01Å | ||
| 1357 | D | 57.4 | Low | 48.5 | Very low | 86 Ų | 86 | 96.1 Ų | 96.1 | 46% | 0.46 | 53% | 0.528 | S | S | . | . | trans | -64 | 113.9 | 170.7 | -80 | -42.7 | 0 | 0 | 0 | 109.7 | E1359 I1360 L1361 | D1357-E1359 PolarHBondContact O-N 3Å; D1357-I1360 HydrophobicContact CB-CD1 3.82Å; D1357-I1360 HydrophobicContact CB-CG1 3.93Å; D1357-I1360 PolarHBondContact O-N 3.33Å; D1357-I1360 VanDerWaalsContact O-N 3.1Å; D1357-L1361 PolarHBondContact O-N 3Å | ||
| 1358 | Q | 60.6 | Low | 50.4 | Low | 126 Ų | 126 | 91.5 Ų | 91.5 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -33.1 | -175.1 | -146.8 | 73.6 | 10.6 | 0 | 0 | 111.9 | M1356 I1360 L1361 D1362 | M1356-Q1358 PolarHBondContact O-N 3.43Å; M1356-Q1358 VanDerWaalsContact O-N 3.14Å; Q1358-I1360 VanDerWaalsContact C-N 3.31Å; Q1358-I1360 PolarHBondContact O-N 3.3Å; Q1358-L1361 PolarHBondContact O-N 3.18Å; Q1358-L1361 VanDerWaalsContact O-N 3.12Å; Q1358-D1362 PolarHBondContact O-N 3.01Å |
| 1359 | E | 63.7 | Low | 52.4 | Low | 121 Ų | 121 | 88 Ų | 88 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -50.2 | -48.4 | 172.4 | -65.6 | -172.5 | 147.1 | 0 | 0 | 112 | K1292 D1357 L1361 D1362 E1363 | K1292-E1359 IonicContact NZ-OE2 3.17Å; K1292-E1359 PolarHBondContact NZ-OE2 2.91Å; D1357-E1359 PolarHBondContact O-N 3Å; E1359-L1361 VanDerWaalsContact C-N 3.33Å; E1359-L1361 PolarHBondContact O-N 3.08Å; E1359-D1362 PolarHBondContact O-N 2.6Å; E1359-E1363 WeakPolarHBondContact O-CB 3.47Å; E1359-E1363 WeakPolarHBondContact O-CG 3.43Å; E1359-E1363 PolarHBondContact O-N 3.45Å |
| 1360 | I | 66 | Low | 54.4 | Low | 5 Ų | 5 | 84.4 Ų | 84.4 | 3% | 0.026 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | -177.4 | -54.3 | 175.2 | 0 | 0 | 0 | 110.1 | Q1296 L1299 D1357 Q1358 V1364 Y1379 | Q1296-I1360 HydrophobicContact CG-CD1 3.84Å; L1299-I1360 HydrophobicContact CD1-CD1 4.05Å; D1357-I1360 HydrophobicContact CB-CD1 3.82Å; D1357-I1360 HydrophobicContact CB-CG1 3.93Å; D1357-I1360 PolarHBondContact O-N 3.33Å; D1357-I1360 VanDerWaalsContact O-N 3.1Å; Q1358-I1360 VanDerWaalsContact C-N 3.31Å; Q1358-I1360 PolarHBondContact O-N 3.3Å; I1360-V1364 WeakPolarHBondContact O-CG2 2.9Å; I1360-V1364 PolarHBondContact O-N 3.03Å; I1360-V1364 VanDerWaalsContact O-N 3.08Å; I1360-Y1379 HydrophobicContact CG2-CE1 4.34Å; I1360-Y1379 HydrophobicContact CG2-CE2 4.24Å |
| 1361 | L | 66 | Low | 57 | Low | 22 Ų | 22 | 80.9 Ų | 80.9 | 12% | 0.115 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 179.7 | -57.6 | -169.1 | 0 | 0 | 0 | 111.9 | M1356 D1357 Q1358 E1359 G1365 L1366 | M1356-L1361 HydrophobicContact CB-CD1 4.05Å; M1356-L1361 HydrophobicContact CB-CD2 4.37Å; M1356-L1361 HydrophobicContact CB-CG 4.3Å; M1356-L1361 HydrophobicContact CE-CD1 4.04Å; M1356-L1361 HydrophobicContact CE-CD2 4.14Å; M1356-L1361 HydrophobicContact SD-CD2 4.01Å; D1357-L1361 PolarHBondContact O-N 3Å; Q1358-L1361 PolarHBondContact O-N 3.18Å; Q1358-L1361 VanDerWaalsContact O-N 3.12Å; E1359-L1361 VanDerWaalsContact C-N 3.33Å; E1359-L1361 PolarHBondContact O-N 3.08Å; L1361-G1365 CarbonylContact O-C 3.46Å; L1361-G1365 WeakPolarHBondContact O-CA 3.18Å; L1361-G1365 PolarHBondContact O-N 3.45Å; L1361-L1366 HydrophobicContact CD2-CB 4.27Å; L1361-L1366 HydrophobicContact CD2-CD2 3.75Å; L1361-L1366 PolarHBondContact O-N 3.29Å |
| 1362 | D | 68.9 | Low | 59.4 | Low | 120 Ų | 120 | 74 Ų | 74 | 64% | 0.642 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -73.7 | -37.8 | 178.5 | -71.3 | -31.6 | 0 | 0 | 0 | 111.7 | Q1358 E1359 G1365 | Q1358-D1362 PolarHBondContact O-N 3.01Å; E1359-D1362 PolarHBondContact O-N 2.6Å; D1362-G1365 PolarHBondContact O-N 3.32Å |
| 1363 | E | 68.4 | Low | 61.9 | Low | 131 Ų | 131 | 66.1 Ų | 66.1 | 61% | 0.612 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.7 | -49.6 | 175.5 | -80.6 | -168.5 | 173.2 | 0 | 0 | 113.2 | E1359 G1365 Y1379 | E1359-E1363 WeakPolarHBondContact O-CB 3.47Å; E1359-E1363 WeakPolarHBondContact O-CG 3.43Å; E1359-E1363 PolarHBondContact O-N 3.45Å; E1363-G1365 PolarHBondContact O-N 3.03Å; E1363-Y1379 HydrophobicContact CB-CD2 4.32Å; E1363-Y1379 VanDerWaalsContact OE2-CD2 3.23Å; E1363-Y1379 WeakPolarHBondContact OE2-CD2 3.28Å; E1363-Y1379 VanDerWaalsContact OE2-CE2 3.25Å; E1363-Y1379 WeakPolarHBondContact OE2-CE2 3.37Å |
| 1364 | V | 69.5 | Low | 64.3 | Low | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -76.3 | -13.4 | 174.8 | -48.6 | 0 | 0 | 0 | 0 | 112 | I1360 L1366 S1371 W1376 Y1379 | I1360-V1364 WeakPolarHBondContact O-CG2 2.9Å; I1360-V1364 PolarHBondContact O-N 3.03Å; I1360-V1364 VanDerWaalsContact O-N 3.08Å; V1364-L1366 HydrophobicContact CG2-CB 3.92Å; V1364-S1371 WeakPolarHBondContact O-CA 3.45Å; V1364-W1376 HydrophobicContact CB-CD2 4.31Å; V1364-W1376 HydrophobicContact CB-CG 4.35Å; V1364-W1376 HydrophobicContact CB-CZ2 4.46Å; V1364-W1376 HydrophobicContact CG2-CZ2 3.81Å; V1364-W1376 PolarHBondContact O-NE1 3.25Å; V1364-Y1379 HydrophobicContact CG1-CD1 4.02Å; V1364-Y1379 HydrophobicContact CG1-CD2 4.05Å; V1364-Y1379 HydrophobicContact CG1-CG 3.69Å |
| 1365 | G | 68.8 | Low | 66.6 | Low | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 26.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1361 D1362 E1363 G1367 S1368 S1371 | L1361-G1365 CarbonylContact O-C 3.46Å; L1361-G1365 WeakPolarHBondContact O-CA 3.18Å; L1361-G1365 PolarHBondContact O-N 3.45Å; D1362-G1365 PolarHBondContact O-N 3.32Å; E1363-G1365 PolarHBondContact O-N 3.03Å; G1365-G1367 PolarHBondContact O-N 2.6Å; G1365-S1368 WeakPolarHBondContact CA-OG 3.31Å; G1365-S1368 WeakPolarHBondContact O-CA 3.4Å; G1365-S1368 VanDerWaalsContact O-CB 3.23Å; G1365-S1368 WeakPolarHBondContact O-CB 3.12Å; G1365-S1368 PolarHBondContact O-N 3.37Å; G1365-S1368 PolarHBondContact O-OG 3.28Å; G1365-S1371 WeakPolarHBondContact O-CB 3.5Å; G1365-S1371 PolarHBondContact O-N 2.8Å |
| 1366 | L | 67.1 | Low | 68.9 | Low | 28 Ų | 28 | 51.5 Ų | 51.5 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 132.5 | -176.6 | -177.9 | 71.6 | 0 | 0 | 0 | 111.1 | L1303 L1361 V1364 S1368 W1376 N1502 Q1642 | L1303-L1366 HydrophobicContact CD2-CD2 3.98Å; L1361-L1366 HydrophobicContact CD2-CB 4.27Å; L1361-L1366 HydrophobicContact CD2-CD2 3.75Å; L1361-L1366 PolarHBondContact O-N 3.29Å; V1364-L1366 HydrophobicContact CG2-CB 3.92Å; L1366-S1368 PolarHBondContact O-N 3.35Å; L1366-W1376 HydrophobicContact CD1-CH2 4.39Å; L1366-W1376 HydrophobicContact CD1-CZ2 3.85Å; L1366-N1502 WeakPolarHBondContact CD1-OD1 3.34Å; L1366-Q1642 HydrophobicContact CD1-CB 3.86Å; L1366-Q1642 HydrophobicContact CD1-CG 3.85Å |
| 1367 | G | 61.1 | Low | 70.8 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | G1365 A1498 K1499 | G1365-G1367 PolarHBondContact O-N 2.6Å; G1367-A1498 CarbonylContact C-O 3.3Å; G1367-A1498 VanDerWaalsContact CA-O 3.27Å; G1367-A1498 WeakPolarHBondContact CA-O 3.24Å; G1367-A1498 CarbonylContact O-C 3.6Å; G1367-A1498 VanDerWaalsContact O-C 3.27Å; G1367-K1499 PolarHBondContact O-N 2.9Å |
| 1368 | S | 66.8 | Low | 71.9 | Confident | 40 Ų | 40 | 48 Ų | 48 | 28% | 0.28 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -116.5 | 169.3 | 175 | 90.1 | 0 | 0 | 0 | 0 | 111.8 | G1365 L1366 N1370 S1371 A1498 | G1365-S1368 WeakPolarHBondContact CA-OG 3.31Å; G1365-S1368 WeakPolarHBondContact O-CA 3.4Å; G1365-S1368 VanDerWaalsContact O-CB 3.23Å; G1365-S1368 WeakPolarHBondContact O-CB 3.12Å; G1365-S1368 PolarHBondContact O-N 3.37Å; G1365-S1368 PolarHBondContact O-OG 3.28Å; L1366-S1368 PolarHBondContact O-N 3.35Å; S1368-N1370 PolarHBondContact O-N 3.24Å; S1368-N1370 PolarHBondContact OG-N 2.69Å; S1368-N1370 VanDerWaalsContact OG-N 3.13Å; S1368-S1371 PolarHBondContact O-N 2.91Å; S1368-A1498 VanDerWaalsContact C-CB 3.49Å |
| 1369 | V | 68.4 | Low | 72.9 | Confident | 47 Ų | 47 | 42.8 Ų | 42.8 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -0.8 | 176.3 | -52.7 | 0 | 0 | 0 | 0 | 114.1 | L1494 Q1495 A1498 | V1369-L1494 HydrophobicContact CG1-CB 3.55Å; V1369-L1494 HydrophobicContact CG1-CD1 4.49Å; V1369-Q1495 HydrophobicContact CG1-CG 4.5Å; V1369-A1498 HydrophobicContact CG1-CB 4.28Å |
| 1370 | N | 71.2 | Confident | 73.8 | Confident | 95 Ų | 95 | 37 Ų | 37 | 51% | 0.508 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -2.3 | 179.2 | -62.3 | -18.5 | 0 | 0 | 0 | 113 | S1368 T1372 N1375 | S1368-N1370 PolarHBondContact O-N 3.24Å; S1368-N1370 PolarHBondContact OG-N 2.69Å; S1368-N1370 VanDerWaalsContact OG-N 3.13Å; N1370-T1372 PolarHBondContact O-N 3.27Å; N1370-N1375 PolarHBondContact O-ND2 2.79Å |
| 1371 | S | 78.2 | Confident | 74.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -72.1 | 72.1 | 179.7 | -160 | 0 | 0 | 0 | 0 | 112.2 | V1364 G1365 S1368 W1376 Q1642 F1643 P1644 | V1364-S1371 WeakPolarHBondContact O-CA 3.45Å; G1365-S1371 WeakPolarHBondContact O-CB 3.5Å; G1365-S1371 PolarHBondContact O-N 2.8Å; S1368-S1371 PolarHBondContact O-N 2.91Å; S1371-W1376 PolarHBondContact OG-NE1 2.77Å; S1371-Q1642 WeakPolarHBondContact CB-O 3.49Å; S1371-Q1642 PolarHBondContact OG-O 2.94Å; S1371-F1643 WeakPolarHBondContact O-CD1 3.26Å; S1371-P1644 WeakPolarHBondContact O-CD 3.4Å | ||
| 1372 | T | 78 | Confident | 75.1 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 14% | 0.135 | 24% | 0.236 | C | C | . | . | trans | -111.7 | 151.7 | -175 | 65 | 0 | 0 | 0 | 0 | 111.3 | N1370 V1374 N1375 W1376 | N1370-T1372 PolarHBondContact O-N 3.27Å; T1372-V1374 PolarHBondContact O-N 2.76Å; T1372-N1375 PolarHBondContact O-N 3.27Å; T1372-W1376 VanDerWaalsContact O-CD1 3.24Å; T1372-W1376 PolarHBondContact O-N 2.83Å; T1372-W1376 VanDerWaalsContact O-N 3.11Å | ||
| 1373 | P | 80.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.6 | -24 | 177.8 | -27.5 | 36.8 | 0 | 0 | 0 | 114.4 | Q1377 L1407 N1408 H1411 F1643 F1646 | P1373-Q1377 WeakPolarHBondContact O-CB 3.17Å; P1373-Q1377 PolarHBondContact O-N 3.42Å; P1373-L1407 HydrophobicContact CB-CB 4Å; P1373-L1407 HydrophobicContact CG-CB 4.22Å; P1373-N1408 VanDerWaalsContact C-OD1 3.23Å; P1373-N1408 PolarHBondContact O-ND2 2.98Å; P1373-N1408 PolarHBondContact O-OD1 3.06Å; P1373-H1411 HydrophobicContact CG-CB 4.24Å; P1373-F1643 HydrophobicContact CB-CE1 4.32Å; P1373-F1643 HydrophobicContact CG-CD1 3.78Å; P1373-F1643 HydrophobicContact CG-CE1 3.93Å; P1373-F1643 HydrophobicContact CG-CG 4.31Å; P1373-F1646 HydrophobicContact CG-CE2 3.61Å; P1373-F1646 HydrophobicContact CG-CZ 3.73Å |
| 1374 | V | 79.1 | Confident | 75.9 | Confident | 75 Ų | 75 | 30.8 Ų | 30.8 | 46% | 0.455 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.3 | -47 | 175.7 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | T1372 Q1377 S1378 N1408 | T1372-V1374 PolarHBondContact O-N 2.76Å; V1374-Q1377 PolarHBondContact O-N 3.48Å; V1374-S1378 WeakPolarHBondContact O-CB 3.07Å; V1374-S1378 PolarHBondContact O-N 3.01Å; V1374-N1408 VanDerWaalsContact CA-OD1 3.3Å; V1374-N1408 WeakPolarHBondContact CA-OD1 3.34Å; V1374-N1408 WeakPolarHBondContact CG2-OD1 3.48Å; V1374-N1408 PolarHBondContact N-OD1 2.92Å |
| 1375 | N | 80 | Confident | 76 | Confident | 61 Ų | 61 | 32.6 Ų | 32.6 | 33% | 0.326 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.9 | -39.1 | -179.5 | -67.9 | -5.3 | 0 | 0 | 0 | 111.2 | N1370 T1372 S1378 Y1379 | N1370-N1375 PolarHBondContact O-ND2 2.79Å; T1372-N1375 PolarHBondContact O-N 3.27Å; N1375-S1378 WeakPolarHBondContact O-CB 3.47Å; N1375-S1378 PolarHBondContact O-N 2.93Å; N1375-S1378 VanDerWaalsContact O-N 3.16Å; N1375-Y1379 PolarHBondContact O-N 3.12Å |
| 1376 | W | 83.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66 | -38.3 | 174.4 | -74.9 | 60.5 | 0 | 0 | 0 | 112.6 | F1300 L1303 L1304 V1364 L1366 S1371 T1372 S1378 F1380 L1404 Q1642 F1643 | F1300-W1376 HydrophobicContact CD2-CE3 4.26Å; F1300-W1376 HydrophobicContact CD2-CZ3 4.47Å; F1300-W1376 HydrophobicContact CE2-CB 4.47Å; F1300-W1376 HydrophobicContact CE2-CD2 4.27Å; F1300-W1376 AromaticContact CE2-CE3 3.51Å; F1300-W1376 HydrophobicContact CE2-CE3 3.51Å; F1300-W1376 HydrophobicContact CE2-CZ3 4.13Å; F1300-W1376 AromaticContact CZ-CE3 3.9Å; F1300-W1376 HydrophobicContact CZ-CE3 3.9Å; L1303-W1376 HydrophobicContact CB-CH2 4.04Å; L1303-W1376 HydrophobicContact CB-CZ3 4.09Å; L1303-W1376 HydrophobicContact CD1-CH2 4.44Å; L1304-W1376 HydrophobicContact CB-CZ3 4.39Å; L1304-W1376 HydrophobicContact CD1-CE3 3.85Å; L1304-W1376 HydrophobicContact CD1-CZ3 4.01Å; V1364-W1376 HydrophobicContact CB-CD2 4.31Å; V1364-W1376 HydrophobicContact CB-CG 4.35Å; V1364-W1376 HydrophobicContact CB-CZ2 4.46Å; V1364-W1376 HydrophobicContact CG2-CZ2 3.81Å; V1364-W1376 PolarHBondContact O-NE1 3.25Å; L1366-W1376 HydrophobicContact CD1-CH2 4.39Å; L1366-W1376 HydrophobicContact CD1-CZ2 3.85Å; S1371-W1376 PolarHBondContact OG-NE1 2.77Å; T1372-W1376 VanDerWaalsContact O-CD1 3.24Å; T1372-W1376 PolarHBondContact O-N 2.83Å; T1372-W1376 VanDerWaalsContact O-N 3.11Å; W1376-S1378 VanDerWaalsContact C-N 3.34Å; W1376-F1380 VanDerWaalsContact O-CB 3.3Å; W1376-F1380 WeakPolarHBondContact O-CB 3.05Å; W1376-F1380 PolarHBondContact O-N 3.19Å; W1376-L1404 HydrophobicContact CB-CD2 4.09Å; W1376-Q1642 HydrophobicContact CH2-CB 4.18Å; W1376-Q1642 HydrophobicContact CH2-CG 4.42Å; W1376-Q1642 HydrophobicContact CZ2-CB 4.1Å; W1376-F1643 HydrophobicContact CB-CE1 4.13Å; W1376-F1643 HydrophobicContact CB-CZ 4.27Å; W1376-F1643 AromaticContact CD1-CE1 3.6Å; W1376-F1643 AromaticContact CD2-CE1 3.89Å; W1376-F1643 HydrophobicContact CD2-CE1 3.89Å; W1376-F1643 AromaticContact CD2-CZ 3.8Å; W1376-F1643 HydrophobicContact CD2-CZ 3.8Å; W1376-F1643 HydrophobicContact CE3-CZ 4.15Å; W1376-F1643 AromaticContact CG-CE1 3.6Å; W1376-F1643 HydrophobicContact CG-CE1 3.6Å; W1376-F1643 AromaticContact CG-CZ 3.87Å; W1376-F1643 HydrophobicContact CG-CZ 3.87Å; W1376-F1643 AromaticContact NE1-CE1 3.82Å |
| 1377 | Q | 82.9 | Confident | 76.4 | Confident | 27 Ų | 27 | 33.5 Ų | 33.5 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -36.3 | 170.6 | -177.9 | 72.9 | 79.7 | 0 | 0 | 111.7 | P1373 V1374 N1381 L1404 N1408 | P1373-Q1377 WeakPolarHBondContact O-CB 3.17Å; P1373-Q1377 PolarHBondContact O-N 3.42Å; V1374-Q1377 PolarHBondContact O-N 3.48Å; Q1377-N1381 PolarHBondContact NE2-OD1 3.24Å; Q1377-N1381 VanDerWaalsContact O-CB 3.29Å; Q1377-N1381 WeakPolarHBondContact O-CB 3.16Å; Q1377-N1381 PolarHBondContact O-N 2.84Å; Q1377-N1381 PolarHBondContact O-ND2 2.74Å; Q1377-N1381 PolarHBondContact O-OD1 2.87Å; Q1377-L1404 HydrophobicContact CB-CB 4.4Å; Q1377-N1408 WeakPolarHBondContact CB-ND2 3.47Å |
| 1378 | S | 80.6 | Confident | 76.6 | Confident | 66 Ų | 66 | 35.5 Ų | 35.5 | 46% | 0.462 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.5 | -45.8 | 176.7 | -162.7 | 0 | 0 | 0 | 0 | 111.7 | V1374 N1375 W1376 N1381 T1382 | V1374-S1378 WeakPolarHBondContact O-CB 3.07Å; V1374-S1378 PolarHBondContact O-N 3.01Å; N1375-S1378 WeakPolarHBondContact O-CB 3.47Å; N1375-S1378 PolarHBondContact O-N 2.93Å; N1375-S1378 VanDerWaalsContact O-N 3.16Å; W1376-S1378 VanDerWaalsContact C-N 3.34Å; S1378-N1381 PolarHBondContact O-N 2.84Å; S1378-T1382 WeakPolarHBondContact O-CB 3.23Å; S1378-T1382 PolarHBondContact O-N 3.04Å; S1378-T1382 PolarHBondContact O-OG1 3.38Å |
| 1379 | Y | 81.5 | Confident | 76.6 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 7% | 0.071 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 173.5 | 179 | -91.9 | 0 | 0 | 0 | 111.3 | F1300 I1360 E1363 V1364 N1375 N1381 T1382 L1383 | F1300-Y1379 HydrophobicContact CB-CE1 4.27Å; F1300-Y1379 AromaticContact CD2-CD1 3.49Å; F1300-Y1379 HydrophobicContact CD2-CD1 3.49Å; F1300-Y1379 VanDerWaalsContact CD2-CD1 3.49Å; F1300-Y1379 AromaticContact CD2-CE1 3.63Å; F1300-Y1379 HydrophobicContact CD2-CE1 3.63Å; F1300-Y1379 AromaticContact CE2-CD1 3.69Å; F1300-Y1379 HydrophobicContact CE2-CD1 3.69Å; F1300-Y1379 HydrophobicContact CE2-CE1 4.31Å; F1300-Y1379 HydrophobicContact CG-CD1 4.32Å; F1300-Y1379 HydrophobicContact CG-CE1 4.18Å; I1360-Y1379 HydrophobicContact CG2-CE1 4.34Å; I1360-Y1379 HydrophobicContact CG2-CE2 4.24Å; E1363-Y1379 HydrophobicContact CB-CD2 4.32Å; E1363-Y1379 VanDerWaalsContact OE2-CD2 3.23Å; E1363-Y1379 WeakPolarHBondContact OE2-CD2 3.28Å; E1363-Y1379 VanDerWaalsContact OE2-CE2 3.25Å; E1363-Y1379 WeakPolarHBondContact OE2-CE2 3.37Å; V1364-Y1379 HydrophobicContact CG1-CD1 4.02Å; V1364-Y1379 HydrophobicContact CG1-CD2 4.05Å; V1364-Y1379 HydrophobicContact CG1-CG 3.69Å; N1375-Y1379 PolarHBondContact O-N 3.12Å; Y1379-N1381 PolarHBondContact O-N 3.16Å; Y1379-T1382 PolarHBondContact O-N 3.2Å; Y1379-L1383 HydrophobicContact CE1-CD2 4.12Å; Y1379-L1383 WeakPolarHBondContact O-CB 3.38Å; Y1379-L1383 PolarHBondContact O-N 3.47Å |
| 1380 | F | 82.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 176.9 | -178.4 | -97.2 | 0 | 0 | 0 | 112.9 | F1297 F1300 W1376 L1383 E1384 I1400 R1401 L1404 | F1297-F1380 HydrophobicContact CE2-CD2 4.5Å; F1297-F1380 AromaticContact CE2-CE2 3.67Å; F1297-F1380 HydrophobicContact CE2-CE2 3.67Å; F1297-F1380 HydrophobicContact CE2-CZ 4.33Å; F1297-F1380 AromaticContact CZ-CE2 3.95Å; F1297-F1380 HydrophobicContact CZ-CE2 3.95Å; F1300-F1380 AromaticContact CD1-CD2 3.95Å; F1300-F1380 HydrophobicContact CD1-CD2 3.95Å; F1300-F1380 HydrophobicContact CE1-CB 3.98Å; F1300-F1380 AromaticContact CE1-CD2 3.52Å; F1300-F1380 HydrophobicContact CE1-CD2 3.52Å; F1300-F1380 HydrophobicContact CE1-CE2 4.43Å; F1300-F1380 HydrophobicContact CE1-CG 4.1Å; F1300-F1380 HydrophobicContact CZ-CB 3.83Å; F1300-F1380 HydrophobicContact CZ-CD2 4.26Å; F1300-F1380 HydrophobicContact CZ-CG 4.44Å; W1376-F1380 VanDerWaalsContact O-CB 3.3Å; W1376-F1380 WeakPolarHBondContact O-CB 3.05Å; W1376-F1380 PolarHBondContact O-N 3.19Å; F1380-L1383 PolarHBondContact O-N 2.89Å; F1380-E1384 HydrophobicContact CD1-CG 4.34Å; F1380-E1384 HydrophobicContact CE1-CG 3.79Å; F1380-E1384 VanDerWaalsContact CE1-OE2 3.26Å; F1380-E1384 WeakPolarHBondContact CE1-OE2 3.3Å; F1380-E1384 HydrophobicContact CE2-CG 4.34Å; F1380-E1384 VanDerWaalsContact CZ-CD 3.47Å; F1380-E1384 HydrophobicContact CZ-CG 3.79Å; F1380-E1384 WeakPolarHBondContact CZ-OE1 3.46Å; F1380-E1384 PolarHBondContact O-N 3.42Å; F1380-I1400 HydrophobicContact CD2-CG2 3.82Å; F1380-I1400 HydrophobicContact CE2-CB 4.13Å; F1380-I1400 HydrophobicContact CE2-CG2 3.47Å; F1380-I1400 VanDerWaalsContact CE2-CG2 3.47Å; F1380-I1400 HydrophobicContact CG-CG2 4.49Å; F1380-I1400 HydrophobicContact CZ-CB 4.2Å; F1380-I1400 HydrophobicContact CZ-CG2 3.88Å; F1380-R1401 HydrophobicContact CE1-CB 3.81Å; F1380-R1401 HydrophobicContact CE1-CG 4.28Å; F1380-R1401 HydrophobicContact CZ-CB 4.38Å; F1380-L1404 HydrophobicContact CB-CD1 3.6Å; F1380-L1404 HydrophobicContact CD1-CD1 3.95Å; F1380-L1404 HydrophobicContact CD2-CD1 4.18Å; F1380-L1404 HydrophobicContact CG-CD1 3.63Å |
| 1381 | N | 81 | Confident | 76.7 | Confident | 53 Ų | 53 | 32.2 Ų | 32.2 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 174.8 | -71.2 | -9.2 | 0 | 0 | 0 | 111.4 | Q1377 S1378 Y1379 L1383 E1384 D1385 | Q1377-N1381 PolarHBondContact NE2-OD1 3.24Å; Q1377-N1381 VanDerWaalsContact O-CB 3.29Å; Q1377-N1381 WeakPolarHBondContact O-CB 3.16Å; Q1377-N1381 PolarHBondContact O-N 2.84Å; Q1377-N1381 PolarHBondContact O-ND2 2.74Å; Q1377-N1381 PolarHBondContact O-OD1 2.87Å; S1378-N1381 PolarHBondContact O-N 2.84Å; Y1379-N1381 PolarHBondContact O-N 3.16Å; N1381-L1383 VanDerWaalsContact C-N 3.3Å; N1381-L1383 PolarHBondContact O-N 3.49Å; N1381-E1384 PolarHBondContact O-N 3.27Å; N1381-D1385 WeakPolarHBondContact O-CB 3.09Å; N1381-D1385 PolarHBondContact O-N 3.38Å |
| 1382 | T | 79.5 | Confident | 76.5 | Confident | 68 Ų | 68 | 32.6 Ų | 32.6 | 42% | 0.417 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 176.7 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | S1378 Y1379 D1385 N1386 | S1378-T1382 WeakPolarHBondContact O-CB 3.23Å; S1378-T1382 PolarHBondContact O-N 3.04Å; S1378-T1382 PolarHBondContact O-OG1 3.38Å; Y1379-T1382 PolarHBondContact O-N 3.2Å; T1382-D1385 PolarHBondContact O-N 3.27Å; T1382-N1386 VanDerWaalsContact O-CB 3.23Å; T1382-N1386 WeakPolarHBondContact O-CB 3.08Å; T1382-N1386 PolarHBondContact O-N 2.83Å; T1382-N1386 PolarHBondContact O-ND2 3.3Å |
| 1383 | L | 77.5 | Confident | 76 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.4 | -41.5 | 175.7 | -173.4 | 61.9 | 0 | 0 | 0 | 112.3 | Y1293 Q1296 F1297 Y1379 F1380 N1381 N1386 I1387 | Y1293-L1383 HydrophobicContact CD1-CD1 4.02Å; Y1293-L1383 HydrophobicContact CG-CD1 4.4Å; Q1296-L1383 HydrophobicContact CB-CD1 4.05Å; Q1296-L1383 HydrophobicContact CB-CD2 4.37Å; F1297-L1383 HydrophobicContact CB-CD2 4.04Å; F1297-L1383 HydrophobicContact CD2-CD2 3.88Å; F1297-L1383 HydrophobicContact CD2-CG 4.34Å; F1297-L1383 HydrophobicContact CG-CD2 4.37Å; Y1379-L1383 HydrophobicContact CE1-CD2 4.12Å; Y1379-L1383 WeakPolarHBondContact O-CB 3.38Å; Y1379-L1383 PolarHBondContact O-N 3.47Å; F1380-L1383 PolarHBondContact O-N 2.89Å; N1381-L1383 VanDerWaalsContact C-N 3.3Å; N1381-L1383 PolarHBondContact O-N 3.49Å; L1383-N1386 PolarHBondContact O-N 2.94Å; L1383-I1387 HydrophobicContact CD1-CD1 4.26Å; L1383-I1387 HydrophobicContact CG-CD1 4.04Å; L1383-I1387 VanDerWaalsContact O-CB 3.27Å; L1383-I1387 WeakPolarHBondContact O-CB 3.09Å; L1383-I1387 WeakPolarHBondContact O-CD1 3.08Å; L1383-I1387 VanDerWaalsContact O-CG1 3.22Å; L1383-I1387 WeakPolarHBondContact O-CG1 3.49Å; L1383-I1387 PolarHBondContact O-N 3.26Å |
| 1384 | E | 75.1 | Confident | 75.5 | Confident | 22 Ų | 22 | 40 Ų | 40 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.7 | -33.5 | 173.9 | -82.5 | -164.1 | 140.7 | 0 | 0 | 113.2 | F1380 N1381 I1387 Q1388 R1401 | F1380-E1384 HydrophobicContact CD1-CG 4.34Å; F1380-E1384 HydrophobicContact CE1-CG 3.79Å; F1380-E1384 VanDerWaalsContact CE1-OE2 3.26Å; F1380-E1384 WeakPolarHBondContact CE1-OE2 3.3Å; F1380-E1384 HydrophobicContact CE2-CG 4.34Å; F1380-E1384 VanDerWaalsContact CZ-CD 3.47Å; F1380-E1384 HydrophobicContact CZ-CG 3.79Å; F1380-E1384 WeakPolarHBondContact CZ-OE1 3.46Å; F1380-E1384 PolarHBondContact O-N 3.42Å; N1381-E1384 PolarHBondContact O-N 3.27Å; E1384-I1387 PolarHBondContact O-N 2.8Å; E1384-Q1388 WeakPolarHBondContact O-CG 3.49Å; E1384-Q1388 PolarHBondContact O-N 3.21Å; E1384-Q1388 PolarHBondContact O-NE2 3.02Å; E1384-Q1388 VanDerWaalsContact O-NE2 3.12Å; E1384-R1401 IonicContact OE2-CZ 2.99Å; E1384-R1401 IonicContact OE2-NE 2.72Å; E1384-R1401 PolarHBondContact OE2-NE 2.87Å; E1384-R1401 IonicContact OE2-NH2 2.66Å; E1384-R1401 PolarHBondContact OE2-NH2 3.34Å |
| 1385 | D | 72.7 | Confident | 74.5 | Confident | 38 Ų | 38 | 40.4 Ų | 40.4 | 20% | 0.203 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.6 | -44.2 | 173.7 | -80.1 | 1.3 | 0 | 0 | 0 | 111 | N1381 T1382 I1387 Q1388 D1389 R2320 | N1381-D1385 WeakPolarHBondContact O-CB 3.09Å; N1381-D1385 PolarHBondContact O-N 3.38Å; T1382-D1385 PolarHBondContact O-N 3.27Å; D1385-I1387 PolarHBondContact O-N 3.49Å; D1385-Q1388 PolarHBondContact O-N 3.4Å; D1385-Q1388 PolarHBondContact OD1-NE2 2.83Å; D1385-D1389 PolarHBondContact O-N 3.49Å; D1385-R2320 IonicContact OD2-CZ 3.12Å; D1385-R2320 IonicContact OD2-NH1 2.64Å; D1385-R2320 IonicContact OD2-NH2 2.88Å; D1385-R2320 PolarHBondContact OD2-NH2 3.4Å |
| 1386 | N | 70.1 | Confident | 73.4 | Confident | 27 Ų | 27 | 42.7 Ų | 42.7 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.9 | -32.3 | 171.5 | -78.7 | -18.7 | 0 | 0 | 0 | 112.9 | N1069 Y1293 T1382 L1383 | N1069-N1386 PolarHBondContact ND2-OD1 3.43Å; Y1293-N1386 HydrophobicContact CE1-CB 3.93Å; Y1293-N1386 HydrophobicContact CE2-CB 4Å; Y1293-N1386 VanDerWaalsContact CE2-O 3.23Å; Y1293-N1386 WeakPolarHBondContact CE2-O 3.49Å; T1382-N1386 VanDerWaalsContact O-CB 3.23Å; T1382-N1386 WeakPolarHBondContact O-CB 3.08Å; T1382-N1386 PolarHBondContact O-N 2.83Å; T1382-N1386 PolarHBondContact O-ND2 3.3Å; L1383-N1386 PolarHBondContact O-N 2.94Å |
| 1387 | I | 73.1 | Confident | 72.5 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -79.8 | -32.6 | 176.7 | -79.4 | 168.9 | 0 | 0 | 0 | 112.4 | Y1293 F1297 L1383 E1384 D1385 D1389 C1390 F1394 | Y1293-I1387 HydrophobicContact CD2-CG1 4.14Å; Y1293-I1387 HydrophobicContact CG-CG1 4.19Å; F1297-I1387 HydrophobicContact CD2-CD1 3.86Å; L1383-I1387 HydrophobicContact CD1-CD1 4.26Å; L1383-I1387 HydrophobicContact CG-CD1 4.04Å; L1383-I1387 VanDerWaalsContact O-CB 3.27Å; L1383-I1387 WeakPolarHBondContact O-CB 3.09Å; L1383-I1387 WeakPolarHBondContact O-CD1 3.08Å; L1383-I1387 VanDerWaalsContact O-CG1 3.22Å; L1383-I1387 WeakPolarHBondContact O-CG1 3.49Å; L1383-I1387 PolarHBondContact O-N 3.26Å; E1384-I1387 PolarHBondContact O-N 2.8Å; D1385-I1387 PolarHBondContact O-N 3.49Å; I1387-D1389 VanDerWaalsContact C-N 3.27Å; I1387-D1389 PolarHBondContact O-N 3.05Å; I1387-C1390 VanDerWaalsContact O-CB 3.28Å; I1387-C1390 WeakPolarHBondContact O-CB 3.15Å; I1387-C1390 PolarHBondContact O-N 3.48Å; I1387-F1394 HydrophobicContact CB-CD2 4.38Å; I1387-F1394 HydrophobicContact CD1-CD1 4.14Å; I1387-F1394 HydrophobicContact CD1-CE1 4.46Å; I1387-F1394 HydrophobicContact CD1-CG 4.25Å; I1387-F1394 HydrophobicContact CG1-CD1 4.42Å; I1387-F1394 HydrophobicContact CG1-CD2 4.21Å; I1387-F1394 HydrophobicContact CG1-CE1 4.47Å; I1387-F1394 HydrophobicContact CG1-CE2 4.28Å; I1387-F1394 HydrophobicContact CG1-CG 4.29Å; I1387-F1394 HydrophobicContact CG1-CZ 4.41Å; I1387-F1394 HydrophobicContact CG2-CB 3.87Å; I1387-F1394 HydrophobicContact CG2-CD2 3.54Å; I1387-F1394 HydrophobicContact CG2-CE2 4.28Å; I1387-F1394 HydrophobicContact CG2-CG 3.76Å |
| 1388 | Q | 67.3 | Low | 71.8 | Confident | 60 Ų | 60 | 48 Ų | 48 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.1 | -34.3 | 178 | -87.7 | 167.6 | 87.5 | 0 | 0 | 112.6 | P1255 E1384 D1385 C1390 | P1255-Q1388 WeakPolarHBondContact CB-O 3.38Å; E1384-Q1388 WeakPolarHBondContact O-CG 3.49Å; E1384-Q1388 PolarHBondContact O-N 3.21Å; E1384-Q1388 PolarHBondContact O-NE2 3.02Å; E1384-Q1388 VanDerWaalsContact O-NE2 3.12Å; D1385-Q1388 PolarHBondContact O-N 3.4Å; D1385-Q1388 PolarHBondContact OD1-NE2 2.83Å; Q1388-C1390 PolarHBondContact O-N 2.78Å |
| 1389 | D | 65.9 | Low | 70.9 | Confident | 86 Ų | 86 | 48.9 Ų | 48.9 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 4.4 | 176.6 | -64.1 | -27.9 | 0 | 0 | 0 | 112.9 | D1385 I1387 | D1385-D1389 PolarHBondContact O-N 3.49Å; I1387-D1389 VanDerWaalsContact C-N 3.27Å; I1387-D1389 PolarHBondContact O-N 3.05Å |
| 1390 | C | 69.8 | Low | 70.5 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 7% | 0.074 | 26% | 0.258 | C | S | . | . | trans | -99 | 136.8 | -177.9 | -163.7 | 0 | 0 | 0 | 0 | 113.9 | P1255 G1256 I1387 Q1388 I1392 F1394 | P1255-C1390 CarbonylContact C-O 3.59Å; P1255-C1390 WeakPolarHBondContact CA-O 3.44Å; G1256-C1390 PolarHBondContact N-O 2.82Å; I1387-C1390 VanDerWaalsContact O-CB 3.28Å; I1387-C1390 WeakPolarHBondContact O-CB 3.15Å; I1387-C1390 PolarHBondContact O-N 3.48Å; Q1388-C1390 PolarHBondContact O-N 2.78Å; C1390-I1392 PolarHBondContact O-N 2.88Å; C1390-F1394 HydrophobicContact CB-CE2 4.04Å | ||
| 1391 | V | 72.2 | Confident | 70.1 | Confident | 16 Ų | 16 | 53 Ų | 53 | 10% | 0.097 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -61 | -29.6 | 173.5 | 178.2 | 0 | 0 | 0 | 0 | 112.8 | I1250 A1253 G1256 S1257 L1258 | I1250-V1391 WeakPolarHBondContact O-CG1 3.39Å; A1253-V1391 HydrophobicContact CB-CG1 3.74Å; G1256-V1391 CarbonylContact C-O 3.54Å; G1256-V1391 WeakPolarHBondContact CA-O 3.47Å; G1256-V1391 PolarHBondContact N-O 3.38Å; S1257-V1391 PolarHBondContact N-O 2.87Å; L1258-V1391 HydrophobicContact CB-CG1 4.24Å; L1258-V1391 HydrophobicContact CD1-CG1 3.79Å; L1258-V1391 HydrophobicContact CG-CG1 3.98Å; L1258-V1391 PolarHBondContact N-O 3.5Å |
| 1392 | I | 73.6 | Confident | 69.9 | Low | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -86.2 | 140 | -170 | -70.4 | 165.6 | 0 | 0 | 0 | 111.6 | G1256 L1258 L1260 V1263 I1286 A1290 C1390 F1394 | G1256-I1392 WeakPolarHBondContact CA-O 3.47Å; L1258-I1392 WeakPolarHBondContact O-CA 3.18Å; L1260-I1392 HydrophobicContact CB-CG2 3.98Å; L1260-I1392 HydrophobicContact CD1-CD1 3.75Å; V1263-I1392 HydrophobicContact CB-CD1 4.4Å; V1263-I1392 HydrophobicContact CG2-CD1 4.22Å; V1263-I1392 HydrophobicContact CG2-CG1 4.16Å; I1286-I1392 HydrophobicContact CG2-CD1 3.94Å; A1290-I1392 HydrophobicContact CB-CB 4.23Å; A1290-I1392 HydrophobicContact CB-CD1 3.53Å; A1290-I1392 HydrophobicContact CB-CG1 4.45Å; A1290-I1392 HydrophobicContact CB-CG2 4.36Å; C1390-I1392 PolarHBondContact O-N 2.88Å; I1392-F1394 HydrophobicContact CB-CE2 4.32Å; I1392-F1394 HydrophobicContact CG2-CE2 4.28Å; I1392-F1394 WeakPolarHBondContact O-CD2 3.42Å; I1392-F1394 WeakPolarHBondContact O-CE2 3.4Å; I1392-F1394 PolarHBondContact O-N 2.93Å |
| 1393 | K | 68 | Low | 69.7 | Low | 148 Ų | 148 | 54.7 Ų | 54.7 | 64% | 0.643 | 28% | 0.276 | S | S | * | . | trans | -86.1 | 95.5 | -170.2 | -173.7 | -173.5 | 172 | -172.2 | 0 | 112.8 | G1256 L1258 | G1256-K1393 WeakPolarHBondContact O-CB 3.43Å; L1258-K1393 WeakPolarHBondContact O-CB 3.12Å; L1258-K1393 PolarHBondContact O-N 3.25Å | ||
| 1394 | F | 68.6 | Low | 69.9 | Low | 31 Ų | 31 | 54.5 Ų | 54.5 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | trans | -76.2 | 152.9 | 171.9 | -65.6 | -91.5 | 0 | 0 | 0 | 113.3 | A1290 E1294 I1387 C1390 I1392 | A1290-F1394 HydrophobicContact CB-CZ 3.95Å; E1294-F1394 HydrophobicContact CB-CE1 3.99Å; I1387-F1394 HydrophobicContact CB-CD2 4.38Å; I1387-F1394 HydrophobicContact CD1-CD1 4.14Å; I1387-F1394 HydrophobicContact CD1-CE1 4.46Å; I1387-F1394 HydrophobicContact CD1-CG 4.25Å; I1387-F1394 HydrophobicContact CG1-CD1 4.42Å; I1387-F1394 HydrophobicContact CG1-CD2 4.21Å; I1387-F1394 HydrophobicContact CG1-CE1 4.47Å; I1387-F1394 HydrophobicContact CG1-CE2 4.28Å; I1387-F1394 HydrophobicContact CG1-CG 4.29Å; I1387-F1394 HydrophobicContact CG1-CZ 4.41Å; I1387-F1394 HydrophobicContact CG2-CB 3.87Å; I1387-F1394 HydrophobicContact CG2-CD2 3.54Å; I1387-F1394 HydrophobicContact CG2-CE2 4.28Å; I1387-F1394 HydrophobicContact CG2-CG 3.76Å; C1390-F1394 HydrophobicContact CB-CE2 4.04Å; I1392-F1394 HydrophobicContact CB-CE2 4.32Å; I1392-F1394 HydrophobicContact CG2-CE2 4.28Å; I1392-F1394 WeakPolarHBondContact O-CD2 3.42Å; I1392-F1394 WeakPolarHBondContact O-CE2 3.4Å; I1392-F1394 PolarHBondContact O-N 2.93Å | ||
| 1395 | P | 58.3 | Low | 70 | Confident | 83 Ų | 83 | 56.7 Ų | 56.7 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | trans | -74.4 | 122.4 | 175.6 | 29.8 | -34 | 0 | 0 | 0 | 112.1 | N1397 | P1395-N1397 PolarHBondContact O-N 3.24Å; P1395-N1397 PolarHBondContact O-ND2 2.94Å | ||
| 1396 | Q | 57.7 | Low | 70.3 | Confident | 109 Ų | 109 | 55.7 Ų | 55.7 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | trans | -74 | 113.5 | 177.2 | -69 | 176.9 | -8.9 | 0 | 0 | 110.6 | R2316 | Q1396-R2316 VanDerWaalsContact CD-CZ 3.49Å; Q1396-R2316 VanDerWaalsContact OE1-CZ 3.27Å | ||
| 1397 | N | 65.6 | Low | 70.8 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | trans | -109.5 | 71.1 | 178.3 | -84.2 | -77.3 | 0 | 0 | 0 | 111.1 | F1297 P1395 S1399 I1400 R1401 | F1297-N1397 HydrophobicContact CE1-CB 4.48Å; F1297-N1397 HydrophobicContact CZ-CB 4.18Å; P1395-N1397 PolarHBondContact O-N 3.24Å; P1395-N1397 PolarHBondContact O-ND2 2.94Å; N1397-S1399 PolarHBondContact O-N 2.65Å; N1397-S1399 VanDerWaalsContact O-N 3.07Å; N1397-I1400 HydrophobicContact CB-CB 4.28Å; N1397-I1400 HydrophobicContact CB-CD1 3.82Å; N1397-I1400 HydrophobicContact CB-CG1 3.99Å; N1397-I1400 PolarHBondContact O-N 2.79Å; N1397-R1401 PolarHBondContact O-N 3.48Å | ||
| 1398 | D | 66.6 | Low | 71.3 | Confident | 83 Ų | 83 | 54.8 Ų | 54.8 | 44% | 0.444 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.6 | -25.5 | 174.3 | -63.3 | -27.9 | 0 | 0 | 0 | 111.8 | I1400 R1401 K1402 R2316 | D1398-I1400 PolarHBondContact O-N 3.45Å; D1398-R1401 PolarHBondContact O-N 2.82Å; D1398-K1402 VanDerWaalsContact O-CB 3.25Å; D1398-K1402 WeakPolarHBondContact O-CB 3.49Å; D1398-K1402 PolarHBondContact O-N 2.85Å; D1398-R2316 IonicContact OD1-CZ 3.08Å; D1398-R2316 IonicContact OD1-NH1 3.96Å; D1398-R2316 IonicContact OD1-NH2 2.69Å; D1398-R2316 PolarHBondContact OD1-NH2 2.9Å; D1398-R2316 IonicContact OD2-NH2 2.69Å; D1398-R2316 PolarHBondContact OD2-NH2 2.92Å |
| 1399 | S | 63.4 | Low | 71.9 | Confident | 85 Ų | 85 | 58.4 Ų | 58.4 | 59% | 0.594 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -56.5 | -40.5 | 169.3 | -53.7 | 0 | 0 | 0 | 0 | 113.8 | N1397 L1403 | N1397-S1399 PolarHBondContact O-N 2.65Å; N1397-S1399 VanDerWaalsContact O-N 3.07Å; S1399-L1403 WeakPolarHBondContact O-CB 3.37Å; S1399-L1403 PolarHBondContact O-N 3.38Å |
| 1400 | I | 72.2 | Confident | 72.6 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.2 | -44 | 178.6 | -65.5 | 174.9 | 0 | 0 | 0 | 110 | F1297 F1300 A1301 L1304 L1305 F1380 N1397 D1398 K1402 L1403 L1404 | F1297-I1400 HydrophobicContact CE1-CD1 4.27Å; F1297-I1400 HydrophobicContact CZ-CD1 4.38Å; F1300-I1400 HydrophobicContact CE1-CG2 4.06Å; A1301-I1400 HydrophobicContact CB-CD1 4.33Å; L1304-I1400 HydrophobicContact CD2-CG2 3.89Å; L1305-I1400 HydrophobicContact CD1-CD1 4Å; L1305-I1400 HydrophobicContact CD1-CG1 4.07Å; F1380-I1400 HydrophobicContact CD2-CG2 3.82Å; F1380-I1400 HydrophobicContact CE2-CB 4.13Å; F1380-I1400 HydrophobicContact CE2-CG2 3.47Å; F1380-I1400 VanDerWaalsContact CE2-CG2 3.47Å; F1380-I1400 HydrophobicContact CG-CG2 4.49Å; F1380-I1400 HydrophobicContact CZ-CB 4.2Å; F1380-I1400 HydrophobicContact CZ-CG2 3.88Å; N1397-I1400 HydrophobicContact CB-CB 4.28Å; N1397-I1400 HydrophobicContact CB-CD1 3.82Å; N1397-I1400 HydrophobicContact CB-CG1 3.99Å; N1397-I1400 PolarHBondContact O-N 2.79Å; D1398-I1400 PolarHBondContact O-N 3.45Å; I1400-K1402 VanDerWaalsContact C-N 3.33Å; I1400-K1402 PolarHBondContact O-N 3.48Å; I1400-L1403 WeakPolarHBondContact O-CB 3.18Å; I1400-L1403 PolarHBondContact O-N 2.79Å; I1400-L1404 HydrophobicContact CG2-CD1 3.92Å; I1400-L1404 HydrophobicContact CG2-CG 4.45Å; I1400-L1404 WeakPolarHBondContact O-CG 3.44Å; I1400-L1404 PolarHBondContact O-N 3.24Å |
| 1401 | R | 74.9 | Confident | 73.3 | Confident | 100 Ų | 100 | 55.5 Ų | 55.5 | 38% | 0.377 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 176 | -173.3 | 174.2 | -101.3 | -97.1 | 1.1 | 111.8 | F1380 E1384 N1397 D1398 S1405 | F1380-R1401 HydrophobicContact CE1-CB 3.81Å; F1380-R1401 HydrophobicContact CE1-CG 4.28Å; F1380-R1401 HydrophobicContact CZ-CB 4.38Å; E1384-R1401 IonicContact OE2-CZ 2.99Å; E1384-R1401 IonicContact OE2-NE 2.72Å; E1384-R1401 PolarHBondContact OE2-NE 2.87Å; E1384-R1401 IonicContact OE2-NH2 2.66Å; E1384-R1401 PolarHBondContact OE2-NH2 3.34Å; N1397-R1401 PolarHBondContact O-N 3.48Å; D1398-R1401 PolarHBondContact O-N 2.82Å; R1401-S1405 WeakPolarHBondContact O-CB 3.43Å; R1401-S1405 PolarHBondContact O-N 3.45Å; R1401-S1405 VanDerWaalsContact O-N 3.17Å |
| 1402 | K | 75.6 | Confident | 73.7 | Confident | 139 Ų | 139 | 59.9 Ų | 59.9 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.4 | -50 | 172.8 | -177.8 | -174.5 | 174.2 | -168.4 | 0 | 111.1 | D1398 I1400 L1404 S1405 D1406 | D1398-K1402 VanDerWaalsContact O-CB 3.25Å; D1398-K1402 WeakPolarHBondContact O-CB 3.49Å; D1398-K1402 PolarHBondContact O-N 2.85Å; I1400-K1402 VanDerWaalsContact C-N 3.33Å; I1400-K1402 PolarHBondContact O-N 3.48Å; K1402-L1404 PolarHBondContact O-N 3.45Å; K1402-S1405 WeakPolarHBondContact O-CB 3.29Å; K1402-S1405 PolarHBondContact O-N 2.73Å; K1402-D1406 PolarHBondContact O-N 2.97Å |
| 1403 | L | 76.2 | Confident | 74.1 | Confident | 18 Ų | 18 | 63.1 Ų | 63.1 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56 | -49.4 | 179.4 | 168 | 59.5 | 0 | 0 | 0 | 112.5 | L1304 L1305 S1399 I1400 S1405 D1406 L1407 F1615 L1638 | L1304-L1403 HydrophobicContact CD2-CD2 3.67Å; L1304-L1403 HydrophobicContact CD2-CG 4.41Å; L1304-L1403 HydrophobicContact CG-CD2 4.13Å; L1305-L1403 HydrophobicContact CD2-CD2 3.84Å; S1399-L1403 WeakPolarHBondContact O-CB 3.37Å; S1399-L1403 PolarHBondContact O-N 3.38Å; I1400-L1403 WeakPolarHBondContact O-CB 3.18Å; I1400-L1403 PolarHBondContact O-N 2.79Å; L1403-S1405 VanDerWaalsContact C-N 3.31Å; L1403-S1405 PolarHBondContact O-N 3.46Å; L1403-D1406 PolarHBondContact O-N 3.41Å; L1403-L1407 HydrophobicContact CD1-CD1 3.86Å; L1403-L1407 HydrophobicContact CD1-CG 3.93Å; L1403-L1407 HydrophobicContact CG-CD1 4.11Å; L1403-L1407 WeakPolarHBondContact O-CG 3.29Å; L1403-L1407 PolarHBondContact O-N 2.88Å; L1403-F1615 HydrophobicContact CD1-CE1 3.42Å; L1403-F1615 VanDerWaalsContact CD1-CE1 3.42Å; L1403-F1615 HydrophobicContact CD1-CZ 3.5Å; L1403-L1638 HydrophobicContact CD1-CD2 4.37Å; L1403-L1638 HydrophobicContact CD2-CD1 4.49Å; L1403-L1638 HydrophobicContact CD2-CD2 3.62Å |
| 1404 | L | 80.7 | Confident | 74.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 179.2 | -68.6 | 167.2 | 0 | 0 | 0 | 111.8 | F1300 L1304 W1376 Q1377 F1380 I1400 K1402 L1407 N1408 | F1300-L1404 HydrophobicContact CE1-CD1 3.99Å; F1300-L1404 HydrophobicContact CZ-CD1 3.88Å; F1300-L1404 HydrophobicContact CZ-CD2 4.43Å; L1304-L1404 HydrophobicContact CD1-CD2 4.03Å; L1304-L1404 HydrophobicContact CD2-CD2 4.14Å; L1304-L1404 HydrophobicContact CD2-CG 4.26Å; W1376-L1404 HydrophobicContact CB-CD2 4.09Å; Q1377-L1404 HydrophobicContact CB-CB 4.4Å; F1380-L1404 HydrophobicContact CB-CD1 3.6Å; F1380-L1404 HydrophobicContact CD1-CD1 3.95Å; F1380-L1404 HydrophobicContact CD2-CD1 4.18Å; F1380-L1404 HydrophobicContact CG-CD1 3.63Å; I1400-L1404 HydrophobicContact CG2-CD1 3.92Å; I1400-L1404 HydrophobicContact CG2-CG 4.45Å; I1400-L1404 WeakPolarHBondContact O-CG 3.44Å; I1400-L1404 PolarHBondContact O-N 3.24Å; K1402-L1404 PolarHBondContact O-N 3.45Å; L1404-L1407 PolarHBondContact O-N 2.83Å; L1404-N1408 WeakPolarHBondContact O-CB 3.36Å; L1404-N1408 PolarHBondContact O-N 3.25Å; L1404-N1408 PolarHBondContact O-ND2 3.2Å |
| 1405 | S | 78.8 | Confident | 75.3 | Confident | 69 Ų | 69 | 56 Ų | 56 | 48% | 0.483 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 173 | -176 | 0 | 0 | 0 | 0 | 112.5 | R1401 K1402 L1403 N1408 R1409 | R1401-S1405 WeakPolarHBondContact O-CB 3.43Å; R1401-S1405 PolarHBondContact O-N 3.45Å; R1401-S1405 VanDerWaalsContact O-N 3.17Å; K1402-S1405 WeakPolarHBondContact O-CB 3.29Å; K1402-S1405 PolarHBondContact O-N 2.73Å; L1403-S1405 VanDerWaalsContact C-N 3.31Å; L1403-S1405 PolarHBondContact O-N 3.46Å; S1405-N1408 PolarHBondContact O-N 3.22Å; S1405-R1409 PolarHBondContact O-N 3.44Å |
| 1406 | D | 77.5 | Confident | 76.3 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.3 | -51.1 | 171.6 | -86.6 | -56.2 | 0 | 0 | 0 | 110.7 | K1402 L1403 N1408 R1409 F1410 L1614 | K1402-D1406 PolarHBondContact O-N 2.97Å; L1403-D1406 PolarHBondContact O-N 3.41Å; D1406-N1408 VanDerWaalsContact C-N 3.28Å; D1406-N1408 PolarHBondContact O-N 3.37Å; D1406-R1409 WeakPolarHBondContact O-CA 3.19Å; D1406-R1409 WeakPolarHBondContact O-CB 3.22Å; D1406-R1409 PolarHBondContact O-N 3.01Å; D1406-R1409 IonicContact OD1-CZ 2.63Å; D1406-R1409 IonicContact OD1-NH1 3.93Å; D1406-R1409 PolarHBondContact OD1-NH1 2.96Å; D1406-R1409 IonicContact OD1-NH2 3.78Å; D1406-R1409 PolarHBondContact OD1-NH2 2.95Å; D1406-F1410 VanDerWaalsContact O-CD2 3.24Å; D1406-F1410 WeakPolarHBondContact O-CD2 3.38Å; D1406-F1410 PolarHBondContact O-N 3.14Å; D1406-L1614 HydrophobicContact CB-CD1 3.93Å; D1406-L1614 HydrophobicContact CB-CD2 4.16Å |
| 1407 | L | 81.3 | Confident | 77.2 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.9 | -37.7 | 177.6 | -69.2 | 172.3 | 0 | 0 | 0 | 112.4 | P1373 L1403 L1404 F1410 H1411 F1615 F1640 F1643 F1646 | P1373-L1407 HydrophobicContact CB-CB 4Å; P1373-L1407 HydrophobicContact CG-CB 4.22Å; L1403-L1407 HydrophobicContact CD1-CD1 3.86Å; L1403-L1407 HydrophobicContact CD1-CG 3.93Å; L1403-L1407 HydrophobicContact CG-CD1 4.11Å; L1403-L1407 WeakPolarHBondContact O-CG 3.29Å; L1403-L1407 PolarHBondContact O-N 2.88Å; L1404-L1407 PolarHBondContact O-N 2.83Å; L1407-F1410 PolarHBondContact O-N 3.11Å; L1407-H1411 PolarHBondContact O-N 2.72Å; L1407-F1615 HydrophobicContact CD2-CZ 4.46Å; L1407-F1640 HydrophobicContact CD2-CE1 4.44Å; L1407-F1643 HydrophobicContact CD1-CE2 3.96Å; L1407-F1643 HydrophobicContact CD1-CZ 4.34Å; L1407-F1646 HydrophobicContact CB-CE2 4.35Å; L1407-F1646 HydrophobicContact CD2-CD2 4.47Å; L1407-F1646 HydrophobicContact CD2-CE2 3.79Å; L1407-F1646 HydrophobicContact CD2-CZ 4.34Å |
| 1408 | N | 82.7 | Confident | 77.6 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 173.3 | -84.4 | -67 | 0 | 0 | 0 | 112.8 | P1373 V1374 Q1377 L1404 S1405 D1406 F1410 H1411 E1412 | P1373-N1408 VanDerWaalsContact C-OD1 3.23Å; P1373-N1408 PolarHBondContact O-ND2 2.98Å; P1373-N1408 PolarHBondContact O-OD1 3.06Å; V1374-N1408 VanDerWaalsContact CA-OD1 3.3Å; V1374-N1408 WeakPolarHBondContact CA-OD1 3.34Å; V1374-N1408 WeakPolarHBondContact CG2-OD1 3.48Å; V1374-N1408 PolarHBondContact N-OD1 2.92Å; Q1377-N1408 WeakPolarHBondContact CB-ND2 3.47Å; L1404-N1408 WeakPolarHBondContact O-CB 3.36Å; L1404-N1408 PolarHBondContact O-N 3.25Å; L1404-N1408 PolarHBondContact O-ND2 3.2Å; S1405-N1408 PolarHBondContact O-N 3.22Å; D1406-N1408 VanDerWaalsContact C-N 3.28Å; D1406-N1408 PolarHBondContact O-N 3.37Å; N1408-F1410 PolarHBondContact O-N 3.34Å; N1408-H1411 PolarHBondContact O-N 2.74Å; N1408-E1412 PolarHBondContact O-N 3.34Å |
| 1409 | R | 80.4 | Confident | 78 | Confident | 136 Ų | 136 | 51 Ų | 51 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.5 | -35.5 | 172.7 | -169.8 | 177.9 | 72.1 | -111.3 | -2.5 | 111.6 | S1405 D1406 K1413 | S1405-R1409 PolarHBondContact O-N 3.44Å; D1406-R1409 WeakPolarHBondContact O-CA 3.19Å; D1406-R1409 WeakPolarHBondContact O-CB 3.22Å; D1406-R1409 PolarHBondContact O-N 3.01Å; D1406-R1409 IonicContact OD1-CZ 2.63Å; D1406-R1409 IonicContact OD1-NH1 3.93Å; D1406-R1409 PolarHBondContact OD1-NH1 2.96Å; D1406-R1409 IonicContact OD1-NH2 3.78Å; D1406-R1409 PolarHBondContact OD1-NH2 2.95Å; R1409-K1413 WeakPolarHBondContact O-CB 3.35Å; R1409-K1413 PolarHBondContact O-N 3.11Å |
| 1410 | F | 81.5 | Confident | 78.1 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.8 | -41.1 | 177.1 | -84.8 | -110.9 | 0 | 0 | 0 | 112.4 | D1406 L1407 N1408 E1412 K1413 L1414 F1607 E1610 L1611 L1614 F1646 | D1406-F1410 VanDerWaalsContact O-CD2 3.24Å; D1406-F1410 WeakPolarHBondContact O-CD2 3.38Å; D1406-F1410 PolarHBondContact O-N 3.14Å; L1407-F1410 PolarHBondContact O-N 3.11Å; N1408-F1410 PolarHBondContact O-N 3.34Å; F1410-E1412 PolarHBondContact O-N 3.49Å; F1410-K1413 PolarHBondContact O-N 3.16Å; F1410-L1414 PolarHBondContact O-N 2.81Å; F1410-F1607 HydrophobicContact CB-CE2 3.9Å; F1410-F1607 HydrophobicContact CB-CZ 3.81Å; F1410-F1607 AromaticContact CD1-CD2 3.98Å; F1410-F1607 HydrophobicContact CD1-CD2 3.98Å; F1410-F1607 HydrophobicContact CD1-CE1 4.22Å; F1410-F1607 AromaticContact CD1-CE2 3.32Å; F1410-F1607 HydrophobicContact CD1-CE2 3.32Å; F1410-F1607 AromaticContact CD1-CZ 3.45Å; F1410-F1607 HydrophobicContact CD1-CZ 3.45Å; F1410-F1607 VanDerWaalsContact CD1-CZ 3.45Å; F1410-F1607 HydrophobicContact CE1-CD2 4.35Å; F1410-F1607 HydrophobicContact CE1-CE2 4.11Å; F1410-F1607 HydrophobicContact CE1-CZ 4.45Å; F1410-F1607 AromaticContact CG-CE2 3.91Å; F1410-F1607 HydrophobicContact CG-CE2 3.91Å; F1410-F1607 HydrophobicContact CG-CZ 4.07Å; F1410-F1607 WeakPolarHBondContact O-CE2 3.28Å; F1410-E1610 HydrophobicContact CE1-CB 3.71Å; F1410-E1610 HydrophobicContact CZ-CB 3.79Å; F1410-L1611 HydrophobicContact CB-CD1 4.33Å; F1410-L1611 HydrophobicContact CD1-CB 3.94Å; F1410-L1611 HydrophobicContact CD1-CD1 3.68Å; F1410-L1611 HydrophobicContact CD1-CG 4.41Å; F1410-L1611 HydrophobicContact CE1-CB 3.86Å; F1410-L1611 HydrophobicContact CE1-CD1 4.42Å; F1410-L1611 HydrophobicContact CG-CD1 4.27Å; F1410-L1614 HydrophobicContact CD2-CD1 4.02Å; F1410-L1614 HydrophobicContact CE1-CD1 4.48Å; F1410-L1614 HydrophobicContact CE2-CD1 3.4Å; F1410-L1614 HydrophobicContact CZ-CD1 3.67Å; F1410-F1646 HydrophobicContact CB-CE1 4.29Å; F1410-F1646 HydrophobicContact CB-CZ 4.36Å |
| 1411 | H | 83.8 | Confident | 77.5 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 172.6 | 177.5 | -97.6 | 0 | 0 | 0 | 112.6 | P1373 L1407 N1408 L1414 S1415 F1646 | P1373-H1411 HydrophobicContact CG-CB 4.24Å; L1407-H1411 PolarHBondContact O-N 2.72Å; N1408-H1411 PolarHBondContact O-N 2.74Å; H1411-L1414 PolarHBondContact O-N 3.25Å; H1411-S1415 WeakPolarHBondContact O-CB 3.42Å; H1411-S1415 PolarHBondContact O-N 3.11Å; H1411-S1415 PolarHBondContact O-OG 3.2Å; H1411-F1646 HydrophobicContact CB-CE1 4.4Å; H1411-F1646 HydrophobicContact CB-CZ 4.21Å |
| 1412 | E | 81 | Confident | 76.7 | Confident | 108 Ų | 108 | 52.5 Ų | 52.5 | 51% | 0.505 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 171.1 | -86.1 | -155.2 | -174.6 | 0 | 0 | 112.6 | N1408 F1410 L1414 S1415 K1416 | N1408-E1412 PolarHBondContact O-N 3.34Å; F1410-E1412 PolarHBondContact O-N 3.49Å; E1412-L1414 VanDerWaalsContact C-N 3.32Å; E1412-L1414 PolarHBondContact O-N 2.86Å; E1412-S1415 WeakPolarHBondContact O-CB 3.44Å; E1412-S1415 PolarHBondContact O-N 2.91Å; E1412-K1416 WeakPolarHBondContact O-CB 3.44Å; E1412-K1416 WeakPolarHBondContact O-CD 3.43Å; E1412-K1416 VanDerWaalsContact O-CG 3.31Å; E1412-K1416 WeakPolarHBondContact O-CG 3.28Å; E1412-K1416 PolarHBondContact O-N 2.79Å; E1412-K1416 IonicContact OE2-NZ 3.17Å; E1412-K1416 PolarHBondContact OE2-NZ 3.37Å |
| 1413 | K | 82.2 | Confident | 76 | Confident | 75 Ų | 75 | 47 Ų | 47 | 33% | 0.326 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.3 | -38.2 | 180 | -177.7 | 169.6 | 172.3 | 174.6 | 0 | 111.2 | R1409 F1410 L1417 F1607 E1610 | R1409-K1413 WeakPolarHBondContact O-CB 3.35Å; R1409-K1413 PolarHBondContact O-N 3.11Å; F1410-K1413 PolarHBondContact O-N 3.16Å; K1413-L1417 HydrophobicContact CG-CD1 4.26Å; K1413-L1417 WeakPolarHBondContact O-CB 3.46Å; K1413-L1417 WeakPolarHBondContact O-CD1 3.47Å; K1413-L1417 VanDerWaalsContact O-CG 3.23Å; K1413-L1417 WeakPolarHBondContact O-CG 3.08Å; K1413-L1417 PolarHBondContact O-N 3.31Å; K1413-L1417 VanDerWaalsContact O-N 3.13Å; K1413-F1607 HydrophobicContact CB-CD2 4.42Å; K1413-F1607 HydrophobicContact CB-CE2 4.09Å; K1413-F1607 HydrophobicContact CD-CD2 3.88Å; K1413-F1607 HydrophobicContact CD-CE2 4.23Å; K1413-F1607 HydrophobicContact CG-CD2 3.95Å; K1413-F1607 HydrophobicContact CG-CE2 4.13Å; K1413-E1610 IonicContact NZ-OE1 2.76Å; K1413-E1610 PolarHBondContact NZ-OE1 2.76Å; K1413-E1610 IonicContact NZ-OE2 3.26Å; K1413-E1610 PolarHBondContact NZ-OE2 3.19Å |
| 1414 | L | 79.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.8 | -46.3 | 170.1 | -71.8 | 178.3 | 0 | 0 | 0 | 113.1 | F1410 H1411 E1412 K1416 L1417 F1418 L1427 F1607 F1646 V1649 | F1410-L1414 PolarHBondContact O-N 2.81Å; H1411-L1414 PolarHBondContact O-N 3.25Å; E1412-L1414 VanDerWaalsContact C-N 3.32Å; E1412-L1414 PolarHBondContact O-N 2.86Å; L1414-K1416 PolarHBondContact O-N 3.24Å; L1414-L1417 PolarHBondContact O-N 2.84Å; L1414-F1418 HydrophobicContact CD2-CD2 4.18Å; L1414-F1418 HydrophobicContact CD2-CE2 3.9Å; L1414-F1418 PolarHBondContact O-N 2.9Å; L1414-L1427 HydrophobicContact CB-CD1 4.33Å; L1414-L1427 HydrophobicContact CB-CD2 3.66Å; L1414-L1427 HydrophobicContact CD1-CD2 4.3Å; L1414-F1607 HydrophobicContact CD1-CE1 3.81Å; L1414-F1607 HydrophobicContact CD1-CZ 3.65Å; L1414-F1607 HydrophobicContact CD2-CD1 3.75Å; L1414-F1607 HydrophobicContact CD2-CD2 4.22Å; L1414-F1607 HydrophobicContact CD2-CE1 3.49Å; L1414-F1607 VanDerWaalsContact CD2-CE1 3.49Å; L1414-F1607 HydrophobicContact CD2-CE2 3.95Å; L1414-F1607 HydrophobicContact CD2-CG 4.12Å; L1414-F1607 HydrophobicContact CD2-CZ 3.59Å; L1414-F1607 HydrophobicContact CG-CD1 4.39Å; L1414-F1607 HydrophobicContact CG-CE1 3.67Å; L1414-F1607 HydrophobicContact CG-CE2 3.77Å; L1414-F1607 HydrophobicContact CG-CZ 3.3Å; L1414-F1646 HydrophobicContact CD1-CD1 3.63Å; L1414-F1646 HydrophobicContact CD1-CE1 3.78Å; L1414-V1649 HydrophobicContact CD1-CG2 3.75Å; L1414-V1649 HydrophobicContact CD2-CG1 4.28Å; L1414-V1649 HydrophobicContact CD2-CG2 3.7Å; L1414-V1649 HydrophobicContact CG-CG2 4.35Å |
| 1415 | S | 81.4 | Confident | 74.8 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.3 | -42.4 | 178.4 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | H1411 E1412 L1417 I1419 | H1411-S1415 WeakPolarHBondContact O-CB 3.42Å; H1411-S1415 PolarHBondContact O-N 3.11Å; H1411-S1415 PolarHBondContact O-OG 3.2Å; E1412-S1415 WeakPolarHBondContact O-CB 3.44Å; E1412-S1415 PolarHBondContact O-N 2.91Å; S1415-L1417 PolarHBondContact O-N 3.28Å; S1415-I1419 WeakPolarHBondContact O-CA 3.13Å; S1415-I1419 WeakPolarHBondContact O-CB 3.49Å; S1415-I1419 WeakPolarHBondContact O-CG1 3.42Å; S1415-I1419 PolarHBondContact O-N 3.22Å |
| 1416 | K | 78.8 | Confident | 74.6 | Confident | 142 Ų | 142 | 51.9 Ų | 51.9 | 62% | 0.617 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -72.1 | -21.7 | 175.9 | -67.3 | 162.5 | -172.8 | 169.4 | 0 | 114.1 | E1412 L1414 | E1412-K1416 WeakPolarHBondContact O-CB 3.44Å; E1412-K1416 WeakPolarHBondContact O-CD 3.43Å; E1412-K1416 VanDerWaalsContact O-CG 3.31Å; E1412-K1416 WeakPolarHBondContact O-CG 3.28Å; E1412-K1416 PolarHBondContact O-N 2.79Å; E1412-K1416 IonicContact OE2-NZ 3.17Å; E1412-K1416 PolarHBondContact OE2-NZ 3.37Å; L1414-K1416 PolarHBondContact O-N 3.24Å |
| 1417 | L | 76.8 | Confident | 74.7 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -87.7 | -30.1 | 178 | -78.5 | 167.8 | 0 | 0 | 0 | 113.9 | K1413 L1414 S1415 P1599 | K1413-L1417 HydrophobicContact CG-CD1 4.26Å; K1413-L1417 WeakPolarHBondContact O-CB 3.46Å; K1413-L1417 WeakPolarHBondContact O-CD1 3.47Å; K1413-L1417 VanDerWaalsContact O-CG 3.23Å; K1413-L1417 WeakPolarHBondContact O-CG 3.08Å; K1413-L1417 PolarHBondContact O-N 3.31Å; K1413-L1417 VanDerWaalsContact O-N 3.13Å; L1414-L1417 PolarHBondContact O-N 2.84Å; S1415-L1417 PolarHBondContact O-N 3.28Å; L1417-P1599 HydrophobicContact CB-CB 4.45Å; L1417-P1599 HydrophobicContact CD2-CB 4.26Å |
| 1418 | F | 75.5 | Confident | 74.6 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -113.5 | -31.2 | -172.3 | -74.8 | -85.5 | 0 | 0 | 0 | 114.4 | L1414 L1427 I1430 L1431 P1599 V1604 V1649 L1652 | L1414-F1418 HydrophobicContact CD2-CD2 4.18Å; L1414-F1418 HydrophobicContact CD2-CE2 3.9Å; L1414-F1418 PolarHBondContact O-N 2.9Å; F1418-L1427 HydrophobicContact CB-CD1 3.92Å; F1418-I1430 HydrophobicContact CB-CG2 4.08Å; F1418-L1431 HydrophobicContact CD1-CD2 3.69Å; F1418-L1431 HydrophobicContact CD2-CD2 4.02Å; F1418-L1431 HydrophobicContact CE1-CD2 3.64Å; F1418-L1431 HydrophobicContact CE2-CD2 3.98Å; F1418-L1431 HydrophobicContact CG-CD2 3.88Å; F1418-L1431 HydrophobicContact CZ-CD2 3.79Å; F1418-P1599 HydrophobicContact CD1-CG 3.91Å; F1418-P1599 HydrophobicContact CD2-CG 4.27Å; F1418-P1599 HydrophobicContact CE1-CG 3.47Å; F1418-P1599 VanDerWaalsContact CE1-CG 3.47Å; F1418-P1599 HydrophobicContact CE2-CG 3.86Å; F1418-P1599 HydrophobicContact CG-CG 4.29Å; F1418-P1599 HydrophobicContact CZ-CG 3.45Å; F1418-P1599 VanDerWaalsContact CZ-CG 3.45Å; F1418-V1604 HydrophobicContact CE2-CG2 4.34Å; F1418-V1604 HydrophobicContact CZ-CG1 4.38Å; F1418-V1604 HydrophobicContact CZ-CG2 3.97Å; F1418-V1649 HydrophobicContact CE2-CG2 4.3Å; F1418-L1652 HydrophobicContact CE1-CD2 3.62Å; F1418-L1652 HydrophobicContact CZ-CD2 3.63Å |
| 1419 | I | 74.1 | Confident | 74.3 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 20% | 0.195 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -99 | 131.2 | -172.9 | -43.6 | -179.4 | 0 | 0 | 0 | 110.6 | S1415 L1427 I1430 | S1415-I1419 WeakPolarHBondContact O-CA 3.13Å; S1415-I1419 WeakPolarHBondContact O-CB 3.49Å; S1415-I1419 WeakPolarHBondContact O-CG1 3.42Å; S1415-I1419 PolarHBondContact O-N 3.22Å; I1419-L1427 HydrophobicContact CD1-CB 3.93Å; I1419-L1427 HydrophobicContact CD1-CD1 4.2Å; I1419-L1427 HydrophobicContact CG1-CD1 4.07Å; I1419-I1430 HydrophobicContact CB-CD1 4.18Å; I1419-I1430 HydrophobicContact CG1-CD1 3.94Å; I1419-I1430 HydrophobicContact CG2-CD1 3.93Å |
| 1420 | R | 65.4 | Low | 74.1 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | trans | -70.5 | 146.1 | 169.5 | -71.8 | -159.4 | -179.2 | 124.9 | -6.8 | 111.4 | Q1422 S1423 M1586 E1594 L1597 | R1420-Q1422 PolarHBondContact O-N 2.64Å; R1420-S1423 VanDerWaalsContact O-CB 3.3Å; R1420-S1423 WeakPolarHBondContact O-CB 3.23Å; R1420-S1423 PolarHBondContact O-N 3.09Å; R1420-M1586 PolarHBondContact NH2-SD 2.93Å; R1420-E1594 WeakPolarHBondContact CD-OE1 3.19Å; R1420-E1594 IonicContact CZ-OE1 2.71Å; R1420-E1594 IonicContact NE-OE1 2.78Å; R1420-E1594 IonicContact NH1-OE1 2.9Å; R1420-E1594 PolarHBondContact NH1-OE1 3.32Å; R1420-L1597 HydrophobicContact CG-CD1 3.94Å; R1420-L1597 HydrophobicContact CG-CD2 3.42Å; R1420-L1597 VanDerWaalsContact CG-CD2 3.42Å; R1420-L1597 HydrophobicContact CG-CG 4.32Å | ||
| 1421 | P | 58.7 | Low | 74 | Confident | 120 Ų | 120 | 44 Ų | 44 | 78% | 0.779 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -18.1 | 176.7 | -28.3 | 35.5 | 0 | 0 | 0 | 116.6 | ||
| 1422 | Q | 58.4 | Low | 73.9 | Confident | 80 Ų | 80 | 42.9 Ų | 42.9 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 8.6 | 178 | -61.5 | -179 | 0 | 0 | 0 | 113.3 | R1420 | R1420-Q1422 PolarHBondContact O-N 2.64Š|
| 1423 | S | 60.6 | Low | 73.7 | Confident | 23 Ų | 23 | 37.8 Ų | 37.8 | 16% | 0.161 | 20% | 0.203 | C | C | . | . | trans | -68.2 | 144 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | R1420 R1425 | R1420-S1423 VanDerWaalsContact O-CB 3.3Å; R1420-S1423 WeakPolarHBondContact O-CB 3.23Å; R1420-S1423 PolarHBondContact O-N 3.09Å; S1423-R1425 PolarHBondContact OG-N 3.09Å; S1423-R1425 VanDerWaalsContact OG-N 3.1Å | ||
| 1424 | T | 63.6 | Low | 73.5 | Confident | 107 Ų | 107 | 34.6 Ų | 34.6 | 66% | 0.656 | 19% | 0.189 | S | C | * | . | trans | -104.2 | 9 | 168.7 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | K1487 | T1424-K1487 PolarHBondContact O-NZ 3.46Å; T1424-K1487 PolarHBondContact OG1-NZ 2.82Å | ||
| 1425 | R | 68.9 | Low | 73.5 | Confident | 32 Ų | 32 | 34.7 Ų | 34.7 | 12% | 0.121 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -89.8 | 151.1 | 177.7 | -63.6 | -170.5 | -172.3 | -138.7 | 4.7 | 111.8 | S1423 E1429 I1430 P1591 R1592 | S1423-R1425 PolarHBondContact OG-N 3.09Å; S1423-R1425 VanDerWaalsContact OG-N 3.1Å; R1425-E1429 WeakPolarHBondContact CA-OE2 3.38Å; R1425-E1429 HydrophobicContact CB-CB 3.82Å; R1425-E1429 VanDerWaalsContact CB-OE2 3.28Å; R1425-E1429 WeakPolarHBondContact CB-OE2 3.29Å; R1425-E1429 HydrophobicContact CG-CB 4.33Å; R1425-E1429 WeakPolarHBondContact CG-OE2 3.38Å; R1425-E1429 PolarHBondContact NH1-O 3.04Å; R1425-I1430 HydrophobicContact CB-CD1 3.96Å; R1425-I1430 HydrophobicContact CB-CG1 4.03Å; R1425-P1591 PolarHBondContact NH2-O 3.5Å; R1425-R1592 PolarHBondContact NH2-O 3.47Å |
| 1426 | S | 75.6 | Confident | 73.3 | Confident | 51 Ų | 51 | 33.7 Ų | 33.7 | 36% | 0.357 | 18% | 0.183 | S | C | . | . | trans | -71.4 | 170.3 | 168.1 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | E1429 | S1426-E1429 PolarHBondContact N-OE2 3.47Å; S1426-E1429 PolarHBondContact O-N 3.28Å; S1426-E1429 WeakPolarHBondContact OG-CB 3.23Å; S1426-E1429 WeakPolarHBondContact OG-CG 3.36Å; S1426-E1429 PolarHBondContact OG-N 3.02Å; S1426-E1429 VanDerWaalsContact OG-N 3.1Å | ||
| 1427 | L | 78.6 | Confident | 73.2 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -60.4 | -46.5 | 173.5 | -175.3 | 49.3 | 0 | 0 | 0 | 111 | L1414 F1418 I1419 E1429 I1430 L1431 E1645 | L1414-L1427 HydrophobicContact CB-CD1 4.33Å; L1414-L1427 HydrophobicContact CB-CD2 3.66Å; L1414-L1427 HydrophobicContact CD1-CD2 4.3Å; F1418-L1427 HydrophobicContact CB-CD1 3.92Å; I1419-L1427 HydrophobicContact CD1-CB 3.93Å; I1419-L1427 HydrophobicContact CD1-CD1 4.2Å; I1419-L1427 HydrophobicContact CG1-CD1 4.07Å; L1427-E1429 VanDerWaalsContact C-N 3.35Å; L1427-E1429 PolarHBondContact O-N 3.21Å; L1427-I1430 PolarHBondContact O-N 2.87Å; L1427-L1431 HydrophobicContact CD1-CD1 3.79Å; L1427-L1431 HydrophobicContact CD1-CG 4.06Å; L1427-L1431 HydrophobicContact CD2-CD1 4.47Å; L1427-L1431 HydrophobicContact CG-CD1 3.68Å; L1427-L1431 HydrophobicContact CG-CG 4.39Å; L1427-L1431 WeakPolarHBondContact O-CG 3.13Å; L1427-L1431 PolarHBondContact O-N 2.82Å; L1427-E1645 HydrophobicContact CB-CG 3.91Å; L1427-E1645 HydrophobicContact CD2-CB 3.99Å; L1427-E1645 HydrophobicContact CD2-CG 3.85Å; L1427-E1645 HydrophobicContact CG-CB 4.26Å; L1427-E1645 HydrophobicContact CG-CG 3.84Å |
| 1428 | L | 78.5 | Confident | 73 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.5 | -33 | 176.9 | -159 | 65.7 | 0 | 0 | 0 | 113.2 | I1430 L1431 L1432 L1494 F1497 P1644 E1645 A1648 | L1428-I1430 PolarHBondContact O-N 3.15Å; L1428-I1430 VanDerWaalsContact O-N 3.1Å; L1428-L1431 PolarHBondContact O-N 2.75Å; L1428-L1432 HydrophobicContact CD1-CD1 4.27Å; L1428-L1432 HydrophobicContact CD1-CD2 4.31Å; L1428-L1432 HydrophobicContact CD1-CG 4.1Å; L1428-L1432 HydrophobicContact CG-CD1 4Å; L1428-L1432 HydrophobicContact CG-CG 4.14Å; L1428-L1432 WeakPolarHBondContact O-CG 3.39Å; L1428-L1432 PolarHBondContact O-N 3.17Å; L1428-L1494 HydrophobicContact CB-CD2 3.92Å; L1428-L1494 HydrophobicContact CD2-CD2 4.04Å; L1428-L1494 HydrophobicContact CG-CD2 3.81Å; L1428-F1497 HydrophobicContact CD1-CD1 4.13Å; L1428-F1497 HydrophobicContact CD1-CE1 4.15Å; L1428-P1644 HydrophobicContact CD1-CB 3.85Å; L1428-P1644 HydrophobicContact CD2-CB 3.84Å; L1428-E1645 HydrophobicContact CB-CG 4.36Å; L1428-A1648 HydrophobicContact CD1-CB 4.04Å |
| 1429 | E | 76.2 | Confident | 72.9 | Confident | 15 Ų | 15 | 26.6 Ų | 26.6 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.5 | -2.7 | 171.7 | -80.8 | -178.3 | -169.2 | 0 | 0 | 114.3 | R1425 S1426 L1427 K1491 L1494 | R1425-E1429 WeakPolarHBondContact CA-OE2 3.38Å; R1425-E1429 HydrophobicContact CB-CB 3.82Å; R1425-E1429 VanDerWaalsContact CB-OE2 3.28Å; R1425-E1429 WeakPolarHBondContact CB-OE2 3.29Å; R1425-E1429 HydrophobicContact CG-CB 4.33Å; R1425-E1429 WeakPolarHBondContact CG-OE2 3.38Å; R1425-E1429 PolarHBondContact NH1-O 3.04Å; S1426-E1429 PolarHBondContact N-OE2 3.47Å; S1426-E1429 PolarHBondContact O-N 3.28Å; S1426-E1429 WeakPolarHBondContact OG-CB 3.23Å; S1426-E1429 WeakPolarHBondContact OG-CG 3.36Å; S1426-E1429 PolarHBondContact OG-N 3.02Å; S1426-E1429 VanDerWaalsContact OG-N 3.1Å; L1427-E1429 VanDerWaalsContact C-N 3.35Å; L1427-E1429 PolarHBondContact O-N 3.21Å; E1429-K1491 WeakPolarHBondContact OE1-CE 3.26Å; E1429-K1491 IonicContact OE1-NZ 2.74Å; E1429-L1494 HydrophobicContact CB-CD2 4.4Å; E1429-L1494 HydrophobicContact CG-CD1 3.6Å; E1429-L1494 HydrophobicContact CG-CD2 3.81Å; E1429-L1494 HydrophobicContact CG-CG 4.19Å |
| 1430 | I | 77.5 | Confident | 73 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -118.4 | -26.2 | 178.5 | -69.2 | 166.5 | 0 | 0 | 0 | 112.3 | F1418 I1419 R1425 L1427 L1428 | F1418-I1430 HydrophobicContact CB-CG2 4.08Å; I1419-I1430 HydrophobicContact CB-CD1 4.18Å; I1419-I1430 HydrophobicContact CG1-CD1 3.94Å; I1419-I1430 HydrophobicContact CG2-CD1 3.93Å; R1425-I1430 HydrophobicContact CB-CD1 3.96Å; R1425-I1430 HydrophobicContact CB-CG1 4.03Å; L1427-I1430 PolarHBondContact O-N 2.87Å; L1428-I1430 PolarHBondContact O-N 3.15Å; L1428-I1430 VanDerWaalsContact O-N 3.1Å |
| 1431 | L | 79.3 | Confident | 73.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -92.3 | -4.2 | 178.6 | -65.4 | 170.9 | 0 | 0 | 0 | 114.9 | F1418 L1427 L1428 Y1514 E1645 A1648 V1649 L1652 E2017 | F1418-L1431 HydrophobicContact CD1-CD2 3.69Å; F1418-L1431 HydrophobicContact CD2-CD2 4.02Å; F1418-L1431 HydrophobicContact CE1-CD2 3.64Å; F1418-L1431 HydrophobicContact CE2-CD2 3.98Å; F1418-L1431 HydrophobicContact CG-CD2 3.88Å; F1418-L1431 HydrophobicContact CZ-CD2 3.79Å; L1427-L1431 HydrophobicContact CD1-CD1 3.79Å; L1427-L1431 HydrophobicContact CD1-CG 4.06Å; L1427-L1431 HydrophobicContact CD2-CD1 4.47Å; L1427-L1431 HydrophobicContact CG-CD1 3.68Å; L1427-L1431 HydrophobicContact CG-CG 4.39Å; L1427-L1431 WeakPolarHBondContact O-CG 3.13Å; L1427-L1431 PolarHBondContact O-N 2.82Å; L1428-L1431 PolarHBondContact O-N 2.75Å; L1431-Y1514 PolarHBondContact O-OH 3.15Å; L1431-E1645 HydrophobicContact CD1-CB 4.31Å; L1431-A1648 HydrophobicContact CB-CB 3.73Å; L1431-A1648 HydrophobicContact CD1-CB 4.2Å; L1431-V1649 HydrophobicContact CD1-CG2 3.74Å; L1431-V1649 HydrophobicContact CD2-CG2 3.79Å; L1431-V1649 HydrophobicContact CG-CG2 4.43Å; L1431-L1652 HydrophobicContact CD2-CD2 4.11Å; L1431-E2017 VanDerWaalsContact CA-OE2 3.31Å; L1431-E2017 WeakPolarHBondContact CA-OE2 3.27Å |
| 1432 | L | 81.2 | Confident | 74.1 | Confident | 8 Ų | 8 | 20.2 Ų | 20.2 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -109.3 | 140.9 | 175.5 | -61.8 | -170.1 | 0 | 0 | 0 | 111.5 | L1428 L1494 F1497 Y1514 A1648 | L1428-L1432 HydrophobicContact CD1-CD1 4.27Å; L1428-L1432 HydrophobicContact CD1-CD2 4.31Å; L1428-L1432 HydrophobicContact CD1-CG 4.1Å; L1428-L1432 HydrophobicContact CG-CD1 4Å; L1428-L1432 HydrophobicContact CG-CG 4.14Å; L1428-L1432 WeakPolarHBondContact O-CG 3.39Å; L1428-L1432 PolarHBondContact O-N 3.17Å; L1432-L1494 HydrophobicContact CD1-CD2 4.13Å; L1432-F1497 HydrophobicContact CD1-CB 3.54Å; L1432-F1497 HydrophobicContact CD1-CD1 3.94Å; L1432-F1497 HydrophobicContact CD1-CD2 4.47Å; L1432-F1497 HydrophobicContact CD1-CG 3.73Å; L1432-F1497 HydrophobicContact CD2-CB 4.37Å; L1432-F1497 HydrophobicContact CD2-CD1 3.79Å; L1432-F1497 HydrophobicContact CD2-CD2 3.77Å; L1432-F1497 HydrophobicContact CD2-CE1 3.96Å; L1432-F1497 HydrophobicContact CD2-CE2 3.94Å; L1432-F1497 HydrophobicContact CD2-CG 3.69Å; L1432-F1497 HydrophobicContact CD2-CZ 4.03Å; L1432-F1497 HydrophobicContact CG-CD1 4.45Å; L1432-F1497 HydrophobicContact CG-CG 4.39Å; L1432-Y1514 HydrophobicContact CD2-CD2 4.11Å; L1432-Y1514 HydrophobicContact CD2-CE2 3.84Å; L1432-A1648 HydrophobicContact CD2-CB 4Å |
| 1433 | P | 77.7 | Confident | 74.9 | Confident | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.013 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 144.6 | 172.4 | -19 | 30.1 | 0 | 0 | 0 | 111.3 | H1493 Y1514 F1517 V1518 E1521 | P1433-H1493 PolarHBondContact O-ND1 2.93Å; P1433-Y1514 HydrophobicContact CG-CE2 4.38Å; P1433-F1517 HydrophobicContact CB-CB 3.95Å; P1433-F1517 HydrophobicContact CG-CB 3.9Å; P1433-V1518 HydrophobicContact CB-CG2 4.45Å; P1433-V1518 HydrophobicContact CG-CB 4.46Å; P1433-V1518 HydrophobicContact CG-CG2 3.57Å; P1433-E1521 HydrophobicContact CB-CB 3.98Å |
| 1434 | R | 77.8 | Confident | 75.3 | Confident | 8 Ų | 8 | 18.7 Ų | 18.7 | 3% | 0.03 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 140.9 | -177.4 | -81 | 160.9 | -71.2 | -145.2 | -26.9 | 113 | L1439 H1493 E1521 C1593 C1595 S1596 | R1434-L1439 HydrophobicContact CB-CD1 4.1Å; R1434-L1439 HydrophobicContact CB-CD2 4.26Å; R1434-L1439 HydrophobicContact CB-CG 4.08Å; R1434-H1493 PolarHBondContact O-CE1 2.8Å; R1434-E1521 HydrophobicContact CB-CG 4.48Å; R1434-E1521 IonicContact CZ-OE1 2.75Å; R1434-E1521 PolarHBondContact N-OE1 2.84Å; R1434-E1521 VanDerWaalsContact N-OE1 3.16Å; R1434-E1521 IonicContact NE-OE1 3.88Å; R1434-E1521 PolarHBondContact NE-OE1 2.91Å; R1434-E1521 IonicContact NH2-OE1 2.56Å; R1434-E1521 PolarHBondContact NH2-OE1 2.95Å; R1434-C1593 PolarHBondContact NH1-SG 3.33Å; R1434-C1593 VanDerWaalsContact NH1-SG 3.36Å; R1434-C1595 VanDerWaalsContact CD-SG 3.55Å; R1434-C1595 VanDerWaalsContact CG-SG 3.59Å; R1434-S1596 PolarHBondContact NH2-OG 3.04Å |
| 1435 | S | 79.4 | Confident | 75.5 | Confident | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.007 | 8% | 0.082 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 140.1 | 172.7 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | S1437 A1438 L1439 L1489 H1493 | S1435-S1437 PolarHBondContact O-N 3.33Å; S1435-A1438 PolarHBondContact O-N 2.99Å; S1435-A1438 WeakPolarHBondContact OG-CB 3.41Å; S1435-A1438 PolarHBondContact OG-N 3.27Å; S1435-L1439 PolarHBondContact O-N 3.06Å; S1435-L1489 WeakPolarHBondContact CB-O 3.19Å; S1435-L1489 PolarHBondContact OG-O 3.27Å; S1435-H1493 VanDerWaalsContact CA-CE1 3.43Å; S1435-H1493 WeakPolarHBondContact CA-CE1 3.47Å |
| 1436 | A | 77.1 | Confident | 75.3 | Confident | 9 Ų | 9 | 16 Ų | 16 | 7% | 0.074 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.1 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | A1438 L1439 E1440 L1462 L1524 | A1436-A1438 PolarHBondContact O-N 3.31Å; A1436-L1439 PolarHBondContact O-N 3.33Å; A1436-E1440 WeakPolarHBondContact O-CB 3.42Å; A1436-E1440 PolarHBondContact O-N 3.05Å; A1436-L1462 HydrophobicContact CB-CD2 3.91Å; A1436-L1524 HydrophobicContact CB-CD1 3.79Å |
| 1437 | S | 75.5 | Confident | 74.1 | Confident | 40 Ų | 40 | 16.5 Ų | 16.5 | 28% | 0.28 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -57.6 | -45.2 | 176 | -17.3 | 0 | 0 | 0 | 0 | 113.2 | S1435 W1441 D1492 | S1435-S1437 PolarHBondContact O-N 3.33Å; S1437-W1441 VanDerWaalsContact O-CB 3.25Å; S1437-W1441 WeakPolarHBondContact O-CB 3.17Å; S1437-W1441 PolarHBondContact O-N 2.9Å; S1437-D1492 WeakPolarHBondContact CB-OD2 3.41Å; S1437-D1492 PolarHBondContact OG-OD2 2.73Å |
| 1438 | A | 73.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68 | -37.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1435 A1436 L1442 Y1486 L1489 | S1435-A1438 PolarHBondContact O-N 2.99Å; S1435-A1438 WeakPolarHBondContact OG-CB 3.41Å; S1435-A1438 PolarHBondContact OG-N 3.27Å; A1436-A1438 PolarHBondContact O-N 3.31Å; A1438-L1442 WeakPolarHBondContact O-CG 3.26Å; A1438-L1442 PolarHBondContact O-N 3.42Å; A1438-L1442 VanDerWaalsContact O-N 3.16Å; A1438-Y1486 HydrophobicContact CB-CD2 4.24Å; A1438-Y1486 HydrophobicContact CB-CE2 3.81Å; A1438-L1489 HydrophobicContact CB-CB 3.9Å |
| 1439 | L | 74.4 | Confident | 71 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.2 | -42.5 | 177.1 | -66.3 | -175 | 0 | 0 | 0 | 112.3 | R1434 S1435 A1436 L1442 I1443 E1521 L1524 M1525 | R1434-L1439 HydrophobicContact CB-CD1 4.1Å; R1434-L1439 HydrophobicContact CB-CD2 4.26Å; R1434-L1439 HydrophobicContact CB-CG 4.08Å; S1435-L1439 PolarHBondContact O-N 3.06Å; A1436-L1439 PolarHBondContact O-N 3.33Å; L1439-L1442 PolarHBondContact O-N 3.21Å; L1439-I1443 WeakPolarHBondContact O-CD1 3.31Å; L1439-I1443 WeakPolarHBondContact O-CG1 3.47Å; L1439-I1443 PolarHBondContact O-N 2.63Å; L1439-I1443 VanDerWaalsContact O-N 3.08Å; L1439-E1521 HydrophobicContact CD1-CG 4.41Å; L1439-L1524 HydrophobicContact CB-CB 3.9Å; L1439-L1524 HydrophobicContact CB-CD1 4.03Å; L1439-L1524 HydrophobicContact CD1-CB 3.7Å; L1439-L1524 HydrophobicContact CD1-CD1 4.45Å; L1439-L1524 HydrophobicContact CG-CB 4.46Å; L1439-M1525 HydrophobicContact CD1-CE 4.1Å; L1439-M1525 HydrophobicContact CD1-CG 4.46Å; L1439-M1525 HydrophobicContact CD2-CE 3.36Å; L1439-M1525 HydrophobicContact CG-CE 4.35Å |
| 1440 | E | 75.7 | Confident | 69.7 | Low | 10 Ų | 10 | 31.4 Ų | 31.4 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.6 | -46.8 | 171.2 | 169.9 | 165.7 | -133.1 | 0 | 0 | 111 | A1436 L1442 I1443 R1444 I1452 | A1436-E1440 WeakPolarHBondContact O-CB 3.42Å; A1436-E1440 PolarHBondContact O-N 3.05Å; E1440-L1442 VanDerWaalsContact C-N 3.27Å; E1440-L1442 PolarHBondContact O-N 2.87Å; E1440-I1443 CarbonylContact O-C 3.54Å; E1440-I1443 WeakPolarHBondContact O-CA 3.28Å; E1440-I1443 WeakPolarHBondContact O-CB 3.23Å; E1440-I1443 PolarHBondContact O-N 3.37Å; E1440-R1444 HydrophobicContact CG-CG 3.95Å; E1440-R1444 PolarHBondContact O-N 3.46Å; E1440-R1444 IonicContact OE1-CZ 2.79Å; E1440-R1444 IonicContact OE1-NE 2.97Å; E1440-R1444 PolarHBondContact OE1-NE 3.13Å; E1440-R1444 IonicContact OE1-NH2 3.59Å; E1440-R1444 PolarHBondContact OE1-NH2 2.92Å; E1440-R1444 IonicContact OE2-CZ 3.5Å; E1440-R1444 IonicContact OE2-NE 3.33Å; E1440-R1444 IonicContact OE2-NH2 2.61Å; E1440-R1444 PolarHBondContact OE2-NH2 3.26Å; E1440-I1452 HydrophobicContact CB-CD1 4.26Å; E1440-I1452 HydrophobicContact CG-CD1 3.65Å; E1440-I1452 WeakPolarHBondContact OE1-CD1 3.21Å |
| 1441 | W | 75.3 | Confident | 68.6 | Low | 26 Ų | 26 | 35 Ų | 35 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -38.1 | -179.4 | -177.7 | 91.8 | 0 | 0 | 0 | 111.9 | S1437 L1445 Q1482 T1485 Y1486 L1489 | S1437-W1441 VanDerWaalsContact O-CB 3.25Å; S1437-W1441 WeakPolarHBondContact O-CB 3.17Å; S1437-W1441 PolarHBondContact O-N 2.9Å; W1441-L1445 HydrophobicContact CD2-CD1 4.07Å; W1441-L1445 HydrophobicContact CD2-CG 4.12Å; W1441-L1445 HydrophobicContact CE3-CD1 3.76Å; W1441-L1445 HydrophobicContact CE3-CG 4.21Å; W1441-L1445 HydrophobicContact CH2-CD1 3.29Å; W1441-L1445 HydrophobicContact CH2-CG 4.25Å; W1441-L1445 HydrophobicContact CZ2-CD1 3.61Å; W1441-L1445 HydrophobicContact CZ2-CD2 4.43Å; W1441-L1445 HydrophobicContact CZ2-CG 4.14Å; W1441-L1445 HydrophobicContact CZ3-CD1 3.35Å; W1441-L1445 HydrophobicContact CZ3-CG 4.28Å; W1441-L1445 WeakPolarHBondContact O-CB 3.22Å; W1441-L1445 VanDerWaalsContact O-CG 3.29Å; W1441-L1445 WeakPolarHBondContact O-CG 3.45Å; W1441-L1445 PolarHBondContact O-N 3.23Å; W1441-Q1482 HydrophobicContact CH2-CB 4.01Å; W1441-Q1482 HydrophobicContact CH2-CG 4.41Å; W1441-Q1482 WeakPolarHBondContact CH2-O 3.09Å; W1441-T1485 HydrophobicContact CZ2-CG2 3.86Å; W1441-Y1486 AromaticContact CE3-CD2 3.92Å; W1441-Y1486 HydrophobicContact CE3-CD2 3.92Å; W1441-Y1486 HydrophobicContact CZ3-CD2 4.02Å; W1441-Y1486 HydrophobicContact CZ3-CG 4.26Å; W1441-L1489 HydrophobicContact CB-CD1 3.55Å; W1441-L1489 HydrophobicContact CD2-CD1 4.07Å; W1441-L1489 HydrophobicContact CG-CD1 3.49Å; W1441-L1489 VanDerWaalsContact CG-CD1 3.49Å |
| 1442 | L | 71 | Confident | 67.6 | Low | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 170.3 | -69.6 | -177.9 | 0 | 0 | 0 | 113 | A1438 L1439 E1440 D1446 Y1486 L1528 R1592 | A1438-L1442 WeakPolarHBondContact O-CG 3.26Å; A1438-L1442 PolarHBondContact O-N 3.42Å; A1438-L1442 VanDerWaalsContact O-N 3.16Å; L1439-L1442 PolarHBondContact O-N 3.21Å; E1440-L1442 VanDerWaalsContact C-N 3.27Å; E1440-L1442 PolarHBondContact O-N 2.87Å; L1442-D1446 PolarHBondContact O-N 2.84Å; L1442-Y1486 HydrophobicContact CD1-CD2 4.27Å; L1442-Y1486 HydrophobicContact CD1-CE2 3.44Å; L1442-Y1486 VanDerWaalsContact CD1-CE2 3.44Å; L1442-Y1486 HydrophobicContact CD2-CD2 3.78Å; L1442-Y1486 HydrophobicContact CD2-CE2 3.82Å; L1442-Y1486 HydrophobicContact CG-CD2 3.87Å; L1442-Y1486 HydrophobicContact CG-CE2 3.48Å; L1442-Y1486 VanDerWaalsContact CG-CE2 3.48Å; L1442-L1528 HydrophobicContact CB-CD2 4.33Å; L1442-L1528 HydrophobicContact CD1-CD2 4.03Å; L1442-R1592 HydrophobicContact CD1-CB 4.36Å; L1442-R1592 HydrophobicContact CD1-CG 4.46Å; L1442-R1592 HydrophobicContact CD2-CG 4.43Å; L1442-R1592 VanDerWaalsContact CD2-NE 3.31Å |
| 1443 | I | 74.6 | Confident | 66.4 | Low | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -54.6 | 178.4 | -69.1 | 160.7 | 0 | 0 | 0 | 110.5 | L1439 E1440 L1445 D1446 I1452 L1524 Y1527 L1528 | L1439-I1443 WeakPolarHBondContact O-CD1 3.31Å; L1439-I1443 WeakPolarHBondContact O-CG1 3.47Å; L1439-I1443 PolarHBondContact O-N 2.63Å; L1439-I1443 VanDerWaalsContact O-N 3.08Å; E1440-I1443 CarbonylContact O-C 3.54Å; E1440-I1443 WeakPolarHBondContact O-CA 3.28Å; E1440-I1443 WeakPolarHBondContact O-CB 3.23Å; E1440-I1443 PolarHBondContact O-N 3.37Å; I1443-L1445 VanDerWaalsContact C-N 3.26Å; I1443-L1445 PolarHBondContact O-N 3.12Å; I1443-D1446 PolarHBondContact O-N 3.08Å; I1443-I1452 HydrophobicContact CB-CD1 4.36Å; I1443-I1452 HydrophobicContact CG2-CD1 3.92Å; I1443-I1452 HydrophobicContact CG2-CG1 3.83Å; I1443-L1524 HydrophobicContact CD1-CD2 4.19Å; I1443-Y1527 HydrophobicContact CD1-CD1 3.56Å; I1443-Y1527 HydrophobicContact CD1-CE1 4.18Å; I1443-Y1527 HydrophobicContact CD1-CG 4.4Å; I1443-Y1527 HydrophobicContact CG1-CD1 3.93Å; I1443-Y1527 HydrophobicContact CG1-CE1 4.22Å; I1443-Y1527 HydrophobicContact CG2-CD1 4.14Å; I1443-Y1527 HydrophobicContact CG2-CE1 3.59Å; I1443-L1528 HydrophobicContact CG1-CB 4.36Å; I1443-L1528 HydrophobicContact CG1-CD1 4.01Å |
| 1444 | R | 71.1 | Confident | 65.4 | Low | 59 Ų | 59 | 43 Ų | 43 | 22% | 0.223 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.5 | -40.7 | 178.4 | -68.4 | -176.6 | -177.2 | -174.6 | 7.5 | 111.3 | E1440 D1446 C1467 | E1440-R1444 HydrophobicContact CG-CG 3.95Å; E1440-R1444 PolarHBondContact O-N 3.46Å; E1440-R1444 IonicContact OE1-CZ 2.79Å; E1440-R1444 IonicContact OE1-NE 2.97Å; E1440-R1444 PolarHBondContact OE1-NE 3.13Å; E1440-R1444 IonicContact OE1-NH2 3.59Å; E1440-R1444 PolarHBondContact OE1-NH2 2.92Å; E1440-R1444 IonicContact OE2-CZ 3.5Å; E1440-R1444 IonicContact OE2-NE 3.33Å; E1440-R1444 IonicContact OE2-NH2 2.61Å; E1440-R1444 PolarHBondContact OE2-NH2 3.26Å; R1444-D1446 PolarHBondContact O-N 3.33Å; R1444-C1467 PolarHBondContact NH1-SG 3.2Å; R1444-C1467 VanDerWaalsContact NH1-SG 3.43Å |
| 1445 | L | 66.3 | Low | 64.3 | Low | 47 Ų | 47 | 45.9 Ų | 45.9 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.4 | -26.6 | 177.9 | -94.3 | -158.4 | 0 | 0 | 0 | 114.5 | W1441 I1443 R1550 | W1441-L1445 HydrophobicContact CD2-CD1 4.07Å; W1441-L1445 HydrophobicContact CD2-CG 4.12Å; W1441-L1445 HydrophobicContact CE3-CD1 3.76Å; W1441-L1445 HydrophobicContact CE3-CG 4.21Å; W1441-L1445 HydrophobicContact CH2-CD1 3.29Å; W1441-L1445 HydrophobicContact CH2-CG 4.25Å; W1441-L1445 HydrophobicContact CZ2-CD1 3.61Å; W1441-L1445 HydrophobicContact CZ2-CD2 4.43Å; W1441-L1445 HydrophobicContact CZ2-CG 4.14Å; W1441-L1445 HydrophobicContact CZ3-CD1 3.35Å; W1441-L1445 HydrophobicContact CZ3-CG 4.28Å; W1441-L1445 WeakPolarHBondContact O-CB 3.22Å; W1441-L1445 VanDerWaalsContact O-CG 3.29Å; W1441-L1445 WeakPolarHBondContact O-CG 3.45Å; W1441-L1445 PolarHBondContact O-N 3.23Å; I1443-L1445 VanDerWaalsContact C-N 3.26Å; I1443-L1445 PolarHBondContact O-N 3.12Å; L1445-R1550 VanDerWaalsContact O-CZ 3.23Å; L1445-R1550 PolarHBondContact O-NH1 3.46Å; L1445-R1550 PolarHBondContact O-NH2 3.15Å |
| 1446 | D | 64.2 | Low | 63.1 | Low | 36 Ų | 36 | 49.8 Ų | 49.8 | 19% | 0.193 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -1.3 | -171.9 | -81.2 | -31.8 | 0 | 0 | 0 | 114.8 | L1442 I1443 R1444 K1535 R1550 | L1442-D1446 PolarHBondContact O-N 2.84Å; I1443-D1446 PolarHBondContact O-N 3.08Å; R1444-D1446 PolarHBondContact O-N 3.33Å; D1446-K1535 VanDerWaalsContact CG-CE 3.46Å; D1446-K1535 IonicContact OD1-NZ 3.17Å; D1446-K1535 PolarHBondContact OD1-NZ 3.48Å; D1446-K1535 VanDerWaalsContact OD1-NZ 3.12Å; D1446-K1535 WeakPolarHBondContact OD2-CE 3.22Å; D1446-K1535 IonicContact OD2-NZ 2.68Å; D1446-K1535 PolarHBondContact OD2-NZ 2.92Å; D1446-R1550 IonicContact OD1-CZ 3.12Å; D1446-R1550 IonicContact OD1-NH1 3.48Å; D1446-R1550 PolarHBondContact OD1-NH1 3.37Å |
| 1447 | G | 51.2 | Low | 62.1 | Low | 61 Ų | 61 | 53.5 Ų | 53.5 | 63% | 0.629 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 107 | 52.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1448 | D | 49.4 | Very low | 61 | Low | 103 Ų | 103 | 56.9 Ų | 56.9 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | trans | -162.4 | 131.6 | 134.3 | -123.1 | -17.5 | 0 | 0 | 0 | 107.7 | D1450 I1451 | D1448-D1450 VanDerWaalsContact C-N 3.31Å; D1448-D1450 PolarHBondContact O-N 2.92Å; D1448-I1451 HydrophobicContact CB-CD1 3.44Å; D1448-I1451 VanDerWaalsContact CB-CD1 3.44Å; D1448-I1451 HydrophobicContact CB-CG1 3.78Å | ||
| 1449 | P | 43.7 | Very low | 60.2 | Low | 87 Ų | 87 | 62.9 Ų | 62.9 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -22.2 | -173.4 | 27 | -32.7 | 0 | 0 | 0 | 114.1 | ||
| 1450 | D | 47.8 | Very low | 59.2 | Low | 144 Ų | 144 | 65.2 Ų | 65.2 | 77% | 0.77 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 24.2 | -163.2 | -52.9 | -36.1 | 0 | 0 | 0 | 114.5 | D1448 | D1448-D1450 VanDerWaalsContact C-N 3.31Å; D1448-D1450 PolarHBondContact O-N 2.92Å |
| 1451 | I | 53.9 | Low | 58.1 | Low | 78 Ų | 78 | 71.3 Ų | 71.3 | 40% | 0.4 | 39% | 0.387 | S | S | . | . | trans | -115.6 | 7.8 | -173.4 | -33.2 | -177.7 | 0 | 0 | 0 | 114.1 | D1448 P1453 Y1527 | D1448-I1451 HydrophobicContact CB-CD1 3.44Å; D1448-I1451 VanDerWaalsContact CB-CD1 3.44Å; D1448-I1451 HydrophobicContact CB-CG1 3.78Å; I1451-P1453 WeakPolarHBondContact O-CD 3.41Å; I1451-Y1527 WeakPolarHBondContact CG2-OH 3.23Å; I1451-Y1527 WeakPolarHBondContact O-CE2 3.16Å; I1451-Y1527 VanDerWaalsContact O-CZ 3.25Å; I1451-Y1527 PolarHBondContact O-OH 3.36Å | ||
| 1452 | I | 58.2 | Low | 56.9 | Low | 16 Ų | 16 | 70.7 Ų | 70.7 | 8% | 0.082 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -83.5 | 114.7 | 162.4 | -65.3 | 174.9 | 0 | 0 | 0 | 106.4 | E1440 I1443 | E1440-I1452 HydrophobicContact CB-CD1 4.26Å; E1440-I1452 HydrophobicContact CG-CD1 3.65Å; E1440-I1452 WeakPolarHBondContact OE1-CD1 3.21Å; I1443-I1452 HydrophobicContact CB-CD1 4.36Å; I1443-I1452 HydrophobicContact CG2-CD1 3.92Å; I1443-I1452 HydrophobicContact CG2-CG1 3.83Å |
| 1453 | P | 56.3 | Low | 55.7 | Low | 57 Ų | 57 | 75.6 Ų | 75.6 | 37% | 0.37 | 41% | 0.412 | S | S | . | . | trans | -64.7 | 145.3 | -178.8 | -16.6 | 29.7 | 0 | 0 | 0 | 110.7 | I1451 S1455 Y1456 R1457 | I1451-P1453 WeakPolarHBondContact O-CD 3.41Å; P1453-S1455 PolarHBondContact O-N 3.19Å; P1453-Y1456 HydrophobicContact CB-CD2 4.18Å; P1453-Y1456 HydrophobicContact CG-CD2 3.96Å; P1453-Y1456 HydrophobicContact CG-CE2 4.4Å; P1453-Y1456 WeakPolarHBondContact O-CB 3.46Å; P1453-Y1456 PolarHBondContact O-N 3.45Å; P1453-R1457 PolarHBondContact O-N 3.42Å | ||
| 1454 | D | 56.5 | Low | 54.1 | Low | 103 Ų | 103 | 77.5 Ų | 77.5 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59.4 | -26.1 | -175.6 | -55 | -61.6 | 0 | 0 | 0 | 113.1 | Y1456 R1457 N1458 | D1454-Y1456 PolarHBondContact O-N 2.91Å; D1454-R1457 WeakPolarHBondContact O-CB 3.5Å; D1454-R1457 PolarHBondContact O-N 3.43Å; D1454-N1458 WeakPolarHBondContact O-CB 3.23Å; D1454-N1458 VanDerWaalsContact O-CG 3.24Å; D1454-N1458 PolarHBondContact O-N 2.87Å; D1454-N1458 PolarHBondContact O-OD1 3.37Å |
| 1455 | S | 55.5 | Low | 52.6 | Low | 69 Ų | 69 | 81.7 Ų | 81.7 | 48% | 0.483 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60 | -29.1 | 171 | 64.9 | 0 | 0 | 0 | 0 | 113.9 | P1453 N1459 | P1453-S1455 PolarHBondContact O-N 3.19Å; S1455-N1459 VanDerWaalsContact O-CB 3.23Å; S1455-N1459 WeakPolarHBondContact O-CB 3.38Å; S1455-N1459 PolarHBondContact O-N 3.49Å; S1455-N1459 PolarHBondContact O-ND2 2.89Å; S1455-N1459 PolarHBondContact O-OD1 3.1Å |
| 1456 | Y | 54.9 | Low | 51.5 | Low | 84 Ų | 84 | 86.4 Ų | 86.4 | 33% | 0.329 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -88.3 | -24.2 | 173.2 | -73 | -85.5 | 0 | 0 | 0 | 112.3 | P1453 D1454 F1460 | P1453-Y1456 HydrophobicContact CB-CD2 4.18Å; P1453-Y1456 HydrophobicContact CG-CD2 3.96Å; P1453-Y1456 HydrophobicContact CG-CE2 4.4Å; P1453-Y1456 WeakPolarHBondContact O-CB 3.46Å; P1453-Y1456 PolarHBondContact O-N 3.45Å; D1454-Y1456 PolarHBondContact O-N 2.91Å; Y1456-F1460 HydrophobicContact CD1-CE2 4.06Å; Y1456-F1460 WeakPolarHBondContact O-CD2 3.22Å |
| 1457 | R | 55.4 | Low | 50.3 | Low | 87 Ų | 87 | 86 Ų | 86 | 33% | 0.328 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.2 | -46.1 | 176.6 | -158 | 179.9 | -154.4 | 144.5 | 5.1 | 111.2 | P1453 D1454 N1461 L1462 | P1453-R1457 PolarHBondContact O-N 3.42Å; D1454-R1457 WeakPolarHBondContact O-CB 3.5Å; D1454-R1457 PolarHBondContact O-N 3.43Å; R1457-N1461 PolarHBondContact O-N 3.06Å; R1457-L1462 HydrophobicContact CG-CB 4.14Å; R1457-L1462 PolarHBondContact O-N 3.32Å; R1457-L1462 VanDerWaalsContact O-N 3.1Å |
| 1458 | N | 53.2 | Low | 49.5 | Very low | 110 Ų | 110 | 86.8 Ų | 86.8 | 59% | 0.588 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -77.9 | -36.9 | -176.1 | -60.6 | -0.7 | 0 | 0 | 0 | 112.2 | D1454 F1460 | D1454-N1458 WeakPolarHBondContact O-CB 3.23Å; D1454-N1458 VanDerWaalsContact O-CG 3.24Å; D1454-N1458 PolarHBondContact O-N 2.87Å; D1454-N1458 PolarHBondContact O-OD1 3.37Å; N1458-F1460 PolarHBondContact O-N 3.23Å |
| 1459 | N | 55.5 | Low | 48.8 | Very low | 126 Ų | 126 | 86.5 Ų | 86.5 | 67% | 0.674 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -14.4 | -179.2 | -73.9 | 17.5 | 0 | 0 | 0 | 114.2 | S1455 | S1455-N1459 VanDerWaalsContact O-CB 3.23Å; S1455-N1459 WeakPolarHBondContact O-CB 3.38Å; S1455-N1459 PolarHBondContact O-N 3.49Å; S1455-N1459 PolarHBondContact O-ND2 2.89Å; S1455-N1459 PolarHBondContact O-OD1 3.1Å |
| 1460 | F | 53.4 | Low | 48.4 | Very low | 49 Ų | 49 | 88.9 Ų | 88.9 | 22% | 0.215 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | 18.1 | -175.3 | -62.3 | -63.8 | 0 | 0 | 0 | 113.4 | Y1456 N1458 L1462 A1520 | Y1456-F1460 HydrophobicContact CD1-CE2 4.06Å; Y1456-F1460 WeakPolarHBondContact O-CD2 3.22Å; N1458-F1460 PolarHBondContact O-N 3.23Å; F1460-L1462 VanDerWaalsContact C-N 3.31Å; F1460-L1462 HydrophobicContact CB-CG 4.28Å; F1460-L1462 PolarHBondContact O-N 3.07Å; F1460-A1520 HydrophobicContact CD1-CB 3.72Å; F1460-A1520 HydrophobicContact CE1-CB 3.65Å; F1460-A1520 HydrophobicContact CG-CB 4.44Å; F1460-A1520 HydrophobicContact CZ-CB 4.32Å |
| 1461 | N | 51.8 | Low | 47.5 | Very low | 138 Ų | 138 | 87.7 Ų | 87.7 | 74% | 0.738 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.3 | 50.4 | -178.6 | -85 | 5.9 | 0 | 0 | 0 | 114 | R1457 D1463 | R1457-N1461 PolarHBondContact O-N 3.06Å; N1461-D1463 PolarHBondContact O-N 3.02Å |
| 1462 | L | 50.6 | Low | 46.5 | Very low | 14 Ų | 14 | 92.7 Ų | 92.7 | 7% | 0.073 | 51% | 0.505 | C | S | . | . | trans | -80.9 | 71.3 | 179.5 | -68.8 | 176.1 | 0 | 0 | 0 | 111.6 | A1436 R1457 F1460 A1464 | A1436-L1462 HydrophobicContact CB-CD2 3.91Å; R1457-L1462 HydrophobicContact CG-CB 4.14Å; R1457-L1462 PolarHBondContact O-N 3.32Å; R1457-L1462 VanDerWaalsContact O-N 3.1Å; F1460-L1462 VanDerWaalsContact C-N 3.31Å; F1460-L1462 HydrophobicContact CB-CG 4.28Å; F1460-L1462 PolarHBondContact O-N 3.07Å; L1462-A1464 PolarHBondContact O-N 3.49Å | ||
| 1463 | D | 45.7 | Very low | 45.1 | Very low | 108 Ų | 108 | 100.9 Ų | 100.9 | 58% | 0.578 | 54% | 0.54 | S | S | * | . | trans | -58.4 | 129.5 | -179.7 | -98.3 | -39.7 | 0 | 0 | 0 | 112.6 | N1461 N1465 | N1461-D1463 PolarHBondContact O-N 3.02Å; D1463-N1465 PolarHBondContact O-N 3.1Å | ||
| 1464 | A | 41.2 | Very low | 44 | Very low | 52 Ų | 52 | 109.4 Ų | 109.4 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -64.6 | -24 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1462 | L1462-A1464 PolarHBondContact O-N 3.49Š|
| 1465 | N | 40.6 | Very low | 42.7 | Very low | 147 Ų | 147 | 112.9 Ų | 112.9 | 79% | 0.786 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -84.5 | -23.3 | -169.2 | -63.9 | -21 | 0 | 0 | 0 | 114.2 | D1463 C1467 | D1463-N1465 PolarHBondContact O-N 3.1Å; N1465-C1467 VanDerWaalsContact C-N 3.3Å; N1465-C1467 PolarHBondContact O-N 3.09Å |
| 1466 | N | 41.5 | Very low | 41.6 | Very low | 145 Ų | 145 | 114.4 Ų | 114.4 | 78% | 0.775 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -85.5 | 1 | 179 | -76.3 | -23.6 | 0 | 0 | 0 | 113.7 | ||
| 1467 | C | 39.9 | Very low | 40.7 | Very low | 27 Ų | 27 | 121.4 Ų | 121.4 | 18% | 0.182 | 61% | 0.61 | C | S | . | * | S | Bend | trans | -102.1 | 123.1 | 174.7 | -159.1 | 0 | 0 | 0 | 0 | 109.8 | R1444 N1465 | R1444-C1467 PolarHBondContact NH1-SG 3.2Å; R1444-C1467 VanDerWaalsContact NH1-SG 3.43Å; N1465-C1467 VanDerWaalsContact C-N 3.3Å; N1465-C1467 PolarHBondContact O-N 3.09Å |
| 1468 | P | 35.1 | Very low | 40.2 | Very low | 78 Ų | 78 | 120.1 Ų | 120.1 | 51% | 0.506 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 138 | -173.1 | 22.9 | -33.5 | 0 | 0 | 0 | 112 | ||
| 1469 | P | 34.2 | Very low | 39.9 | Very low | 98 Ų | 98 | 118.4 Ų | 118.4 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -63 | 139.6 | -164.4 | 22 | -33.4 | 0 | 0 | 0 | 113.5 | T1471 | P1469-T1471 PolarHBondContact O-N 2.91Š|
| 1470 | T | 34.7 | Very low | 39.5 | Very low | 136 Ų | 136 | 119.2 Ų | 119.2 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -77.8 | 21.6 | -170.5 | 46.6 | 0 | 0 | 0 | 0 | 114.8 | Y1472 | T1470-Y1472 PolarHBondContact O-N 3.04Å; T1470-Y1472 VanDerWaalsContact O-N 3.15Å |
| 1471 | T | 29.8 | Very low | 39.1 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 74% | 0.736 | 63% | 0.627 | S | S | * | * | trans | -82.2 | 23.3 | -177.1 | 35.2 | 0 | 0 | 0 | 0 | 115 | P1469 K1473 | P1469-T1471 PolarHBondContact O-N 2.91Å; T1471-K1473 PolarHBondContact O-N 3.31Å | ||
| 1472 | Y | 32.7 | Very low | 39.3 | Very low | 182 Ų | 182 | 119.3 Ų | 119.3 | 71% | 0.714 | 60% | 0.604 | S | S | * | * | trans | -80.8 | 105.3 | 175 | -85.9 | -87.6 | 0 | 0 | 0 | 112.7 | T1470 | T1470-Y1472 PolarHBondContact O-N 3.04Å; T1470-Y1472 VanDerWaalsContact O-N 3.15Å | ||
| 1473 | K | 29.6 | Very low | 39.6 | Very low | 189 Ų | 189 | 122.1 Ų | 122.1 | 82% | 0.822 | 62% | 0.624 | S | S | * | * | trans | -57.6 | 152.6 | 173.8 | -67 | 177.3 | 179.5 | 174.7 | 0 | 111.4 | T1471 H1475 | T1471-K1473 PolarHBondContact O-N 3.31Å; K1473-H1475 PolarHBondContact O-N 3.19Å | ||
| 1474 | R | 32.2 | Very low | 40.3 | Very low | 236 Ų | 236 | 122 Ų | 122 | 89% | 0.891 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -57.7 | 14.4 | -166.2 | -69.9 | 179.5 | 170.1 | 163.2 | -1.9 | 119 | ||
| 1475 | H | 29.3 | Very low | 41.3 | Very low | 176 Ų | 176 | 120.9 Ų | 120.9 | 82% | 0.815 | 61% | 0.611 | S | S | * | * | trans | -121.5 | 29.5 | -163.8 | -73.4 | -85.8 | 0 | 0 | 0 | 116.8 | K1473 | K1473-H1475 PolarHBondContact O-N 3.19Š| ||
| 1476 | T | 31.3 | Very low | 42.5 | Very low | 100 Ų | 100 | 114.7 Ų | 114.7 | 61% | 0.613 | 58% | 0.577 | S | S | * | * | trans | -126.8 | 78.4 | 168 | 43.7 | 0 | 0 | 0 | 0 | 112.2 | S1478 | T1476-S1478 PolarHBondContact O-N 2.69Š| ||
| 1477 | R | 36 | Very low | 43.5 | Very low | 231 Ų | 231 | 111.1 Ų | 111.1 | 87% | 0.872 | 55% | 0.554 | S | S | * | * | trans | -78.9 | 39.6 | 179 | -68.5 | -174.9 | 174.5 | 177.1 | -0.6 | 114.2 | P1479 | R1477-P1479 WeakPolarHBondContact O-CD 3.43Š| ||
| 1478 | S | 45 | Very low | 44.9 | Very low | 61 Ų | 61 | 113 Ų | 113 | 43% | 0.427 | 57% | 0.568 | S | S | . | * | trans | -91.4 | 117 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | T1476 H1480 | T1476-S1478 PolarHBondContact O-N 2.69Å; S1478-H1480 PolarHBondContact O-N 3.14Å; S1478-H1480 PolarHBondContact OG-N 2.72Å | ||
| 1479 | P | 46.8 | Very low | 46.4 | Very low | 74 Ų | 74 | 110.4 Ų | 110.4 | 48% | 0.481 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.1 | -26.7 | 173.5 | -21.2 | 34.2 | 0 | 0 | 0 | 112.9 | R1477 F1481 Q1482 S1483 | R1477-P1479 WeakPolarHBondContact O-CD 3.43Å; P1479-F1481 PolarHBondContact O-N 2.76Å; P1479-Q1482 PolarHBondContact O-N 2.77Å; P1479-S1483 PolarHBondContact O-N 2.89Å |
| 1480 | H | 47.3 | Very low | 47.8 | Very low | 143 Ų | 143 | 106.5 Ų | 106.5 | 66% | 0.662 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | -172.7 | -135.4 | -71.1 | 0 | 0 | 0 | 112.4 | S1478 S1483 L1484 | S1478-H1480 PolarHBondContact O-N 3.14Å; S1478-H1480 PolarHBondContact OG-N 2.72Å; H1480-S1483 WeakPolarHBondContact O-CB 3.44Å; H1480-S1483 PolarHBondContact O-N 3.36Å; H1480-L1484 PolarHBondContact O-N 2.9Å |
| 1481 | F | 45 | Very low | 49.5 | Very low | 135 Ų | 135 | 104.3 Ų | 104.3 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67 | -42.5 | -178.3 | -161 | -96.7 | 0 | 0 | 0 | 111.9 | P1479 S1483 L1484 T1485 | P1479-F1481 PolarHBondContact O-N 2.76Å; F1481-S1483 VanDerWaalsContact C-N 3.26Å; F1481-S1483 PolarHBondContact O-N 3.32Å; F1481-L1484 PolarHBondContact O-N 3.1Å; F1481-T1485 PolarHBondContact O-N 3.39Å; F1481-T1485 VanDerWaalsContact O-N 3.15Å; F1481-T1485 PolarHBondContact O-OG1 2.78Å |
| 1482 | Q | 56.5 | Low | 51.5 | Low | 54 Ų | 54 | 101.3 Ų | 101.3 | 25% | 0.252 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65 | -28.4 | 175.6 | -71.4 | -174.4 | 38.2 | 0 | 0 | 112.7 | W1441 P1479 Y1486 R1550 | W1441-Q1482 HydrophobicContact CH2-CB 4.01Å; W1441-Q1482 HydrophobicContact CH2-CG 4.41Å; W1441-Q1482 WeakPolarHBondContact CH2-O 3.09Å; P1479-Q1482 PolarHBondContact O-N 2.77Å; Q1482-Y1486 PolarHBondContact O-N 3.21Å; Q1482-R1550 VanDerWaalsContact OE1-CG 3.26Å; Q1482-R1550 VanDerWaalsContact OE1-NE 3.07Å |
| 1483 | S | 56.8 | Low | 53.6 | Low | 72 Ų | 72 | 93.5 Ų | 93.5 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 174.2 | -156.6 | 0 | 0 | 0 | 0 | 111.7 | P1479 H1480 F1481 K1487 | P1479-S1483 PolarHBondContact O-N 2.89Å; H1480-S1483 WeakPolarHBondContact O-CB 3.44Å; H1480-S1483 PolarHBondContact O-N 3.36Å; F1481-S1483 VanDerWaalsContact C-N 3.26Å; F1481-S1483 PolarHBondContact O-N 3.32Å; S1483-K1487 WeakPolarHBondContact O-CB 3.21Å; S1483-K1487 PolarHBondContact O-N 3.31Å |
| 1484 | L | 59.9 | Low | 55.7 | Low | 105 Ų | 105 | 84.9 Ų | 84.9 | 55% | 0.55 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.6 | -45.4 | -179.4 | -66.9 | 170 | 0 | 0 | 0 | 112.3 | H1480 F1481 Y1486 K1487 S1488 | H1480-L1484 PolarHBondContact O-N 2.9Å; F1481-L1484 PolarHBondContact O-N 3.1Å; L1484-Y1486 VanDerWaalsContact C-N 3.31Å; L1484-Y1486 PolarHBondContact O-N 3.26Å; L1484-K1487 PolarHBondContact O-N 2.92Å; L1484-K1487 VanDerWaalsContact O-N 3.1Å; L1484-S1488 PolarHBondContact O-N 2.86Å; L1484-S1488 PolarHBondContact O-OG 2.85Å |
| 1485 | T | 63.4 | Low | 57.4 | Low | 29 Ų | 29 | 79.4 Ų | 79.4 | 18% | 0.178 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 177.5 | -44 | 0 | 0 | 0 | 0 | 112.4 | W1441 F1481 S1488 L1489 | W1441-T1485 HydrophobicContact CZ2-CG2 3.86Å; F1481-T1485 PolarHBondContact O-N 3.39Å; F1481-T1485 VanDerWaalsContact O-N 3.15Å; F1481-T1485 PolarHBondContact O-OG1 2.78Å; T1485-S1488 PolarHBondContact O-OG 3.06Å; T1485-L1489 HydrophobicContact CG2-CD1 4.32Å; T1485-L1489 WeakPolarHBondContact O-CG 3.25Å; T1485-L1489 PolarHBondContact O-N 3.12Å |
| 1486 | Y | 64.5 | Low | 59.6 | Low | 17 Ų | 17 | 74.4 Ų | 74.4 | 7% | 0.067 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 172.8 | -173.4 | -108.8 | 0 | 0 | 0 | 111.9 | A1438 W1441 L1442 Q1482 L1484 L1489 C1490 R1592 | A1438-Y1486 HydrophobicContact CB-CD2 4.24Å; A1438-Y1486 HydrophobicContact CB-CE2 3.81Å; W1441-Y1486 AromaticContact CE3-CD2 3.92Å; W1441-Y1486 HydrophobicContact CE3-CD2 3.92Å; W1441-Y1486 HydrophobicContact CZ3-CD2 4.02Å; W1441-Y1486 HydrophobicContact CZ3-CG 4.26Å; L1442-Y1486 HydrophobicContact CD1-CD2 4.27Å; L1442-Y1486 HydrophobicContact CD1-CE2 3.44Å; L1442-Y1486 VanDerWaalsContact CD1-CE2 3.44Å; L1442-Y1486 HydrophobicContact CD2-CD2 3.78Å; L1442-Y1486 HydrophobicContact CD2-CE2 3.82Å; L1442-Y1486 HydrophobicContact CG-CD2 3.87Å; L1442-Y1486 HydrophobicContact CG-CE2 3.48Å; L1442-Y1486 VanDerWaalsContact CG-CE2 3.48Å; Q1482-Y1486 PolarHBondContact O-N 3.21Å; L1484-Y1486 VanDerWaalsContact C-N 3.31Å; L1484-Y1486 PolarHBondContact O-N 3.26Å; Y1486-L1489 PolarHBondContact O-N 2.93Å; Y1486-C1490 VanDerWaalsContact CE1-SG 3.51Å; Y1486-C1490 PolarHBondContact O-N 2.84Å; Y1486-C1490 PolarHBondContact O-SG 2.84Å; Y1486-R1592 HydrophobicContact CD1-CG 4.23Å; Y1486-R1592 HydrophobicContact CE1-CB 3.97Å; Y1486-R1592 HydrophobicContact CE1-CG 3.9Å; Y1486-R1592 PolarHBondContact OH-O 3.48Å |
| 1487 | K | 64 | Low | 61.8 | Low | 71 Ų | 71 | 69.6 Ų | 69.6 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 179.4 | -170.2 | 170.2 | -174.2 | 174.3 | 0 | 112.5 | T1424 S1483 L1484 | T1424-K1487 PolarHBondContact O-NZ 3.46Å; T1424-K1487 PolarHBondContact OG1-NZ 2.82Å; S1483-K1487 WeakPolarHBondContact O-CB 3.21Å; S1483-K1487 PolarHBondContact O-N 3.31Å; L1484-K1487 PolarHBondContact O-N 2.92Å; L1484-K1487 VanDerWaalsContact O-N 3.1Å |
| 1488 | S | 68.1 | Low | 63.5 | Low | 66 Ų | 66 | 58.6 Ų | 58.6 | 46% | 0.462 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.6 | -48.3 | 174.1 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | L1484 T1485 C1490 K1491 | L1484-S1488 PolarHBondContact O-N 2.86Å; L1484-S1488 PolarHBondContact O-OG 2.85Å; T1485-S1488 PolarHBondContact O-OG 3.06Å; S1488-C1490 PolarHBondContact O-N 3.48Å; S1488-K1491 VanDerWaalsContact O-CB 3.31Å; S1488-K1491 WeakPolarHBondContact O-CB 3.36Å; S1488-K1491 PolarHBondContact O-N 3.2Å |
| 1489 | L | 66.7 | Low | 64.6 | Low | 23 Ų | 23 | 63.1 Ų | 63.1 | 12% | 0.12 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.9 | -24.1 | 178.6 | -68.2 | 169.5 | 0 | 0 | 0 | 113.2 | S1435 A1438 W1441 T1485 Y1486 K1491 D1492 | S1435-L1489 WeakPolarHBondContact CB-O 3.19Å; S1435-L1489 PolarHBondContact OG-O 3.27Å; A1438-L1489 HydrophobicContact CB-CB 3.9Å; W1441-L1489 HydrophobicContact CB-CD1 3.55Å; W1441-L1489 HydrophobicContact CD2-CD1 4.07Å; W1441-L1489 HydrophobicContact CG-CD1 3.49Å; W1441-L1489 VanDerWaalsContact CG-CD1 3.49Å; T1485-L1489 HydrophobicContact CG2-CD1 4.32Å; T1485-L1489 WeakPolarHBondContact O-CG 3.25Å; T1485-L1489 PolarHBondContact O-N 3.12Å; Y1486-L1489 PolarHBondContact O-N 2.93Å; L1489-K1491 PolarHBondContact O-N 3.01Å; L1489-D1492 VanDerWaalsContact O-OD1 3.08Å |
| 1490 | C | 64.2 | Low | 65.7 | Low | 16 Ų | 16 | 61.8 Ų | 61.8 | 11% | 0.108 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -7.4 | 173.5 | -72.9 | 0 | 0 | 0 | 0 | 113.4 | Y1486 S1488 | Y1486-C1490 VanDerWaalsContact CE1-SG 3.51Å; Y1486-C1490 PolarHBondContact O-N 2.84Å; Y1486-C1490 PolarHBondContact O-SG 2.84Å; S1488-C1490 PolarHBondContact O-N 3.48Å |
| 1491 | K | 70.1 | Confident | 66.4 | Low | 90 Ų | 90 | 55 Ų | 55 | 39% | 0.391 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -15.5 | -179.2 | -63.2 | -159.4 | 168.1 | -158.9 | 0 | 114.8 | E1429 S1488 L1489 H1493 L1494 Q1495 | E1429-K1491 WeakPolarHBondContact OE1-CE 3.26Å; E1429-K1491 IonicContact OE1-NZ 2.74Å; S1488-K1491 VanDerWaalsContact O-CB 3.31Å; S1488-K1491 WeakPolarHBondContact O-CB 3.36Å; S1488-K1491 PolarHBondContact O-N 3.2Å; L1489-K1491 PolarHBondContact O-N 3.01Å; K1491-H1493 PolarHBondContact O-N 2.72Å; K1491-L1494 HydrophobicContact CB-CD1 3.82Å; K1491-L1494 HydrophobicContact CD-CD1 4.26Å; K1491-L1494 HydrophobicContact CG-CD1 3.77Å; K1491-L1494 VanDerWaalsContact O-CB 3.23Å; K1491-L1494 WeakPolarHBondContact O-CB 3.49Å; K1491-L1494 PolarHBondContact O-N 2.63Å; K1491-Q1495 PolarHBondContact O-N 2.87Å |
| 1492 | D | 71.8 | Confident | 67.1 | Low | 57 Ų | 57 | 51 Ų | 51 | 31% | 0.305 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -51.6 | -53.1 | -172.3 | -50.6 | -1.6 | 0 | 0 | 0 | 111.9 | S1437 L1489 L1494 Q1495 E1496 | S1437-D1492 WeakPolarHBondContact CB-OD2 3.41Å; S1437-D1492 PolarHBondContact OG-OD2 2.73Å; L1489-D1492 VanDerWaalsContact O-OD1 3.08Å; D1492-L1494 VanDerWaalsContact C-N 3.29Å; D1492-L1494 PolarHBondContact O-N 3.41Å; D1492-Q1495 PolarHBondContact O-N 2.79Å; D1492-E1496 PolarHBondContact O-N 2.67Å |
| 1493 | H | 76.3 | Confident | 67.2 | Low | 19 Ų | 19 | 51.3 Ų | 51.3 | 9% | 0.088 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.5 | -24.3 | 177.4 | -73.2 | -178.7 | 0 | 0 | 0 | 114 | P1433 R1434 S1435 K1491 F1497 F1517 | P1433-H1493 PolarHBondContact O-ND1 2.93Å; R1434-H1493 PolarHBondContact O-CE1 2.8Å; S1435-H1493 VanDerWaalsContact CA-CE1 3.43Å; S1435-H1493 WeakPolarHBondContact CA-CE1 3.47Å; K1491-H1493 PolarHBondContact O-N 2.72Å; H1493-F1497 WeakPolarHBondContact O-CB 3.07Å; H1493-F1497 PolarHBondContact O-N 3.31Å; H1493-F1517 HydrophobicContact CB-CD2 4.38Å; H1493-F1517 HydrophobicContact CB-CE2 4.18Å; H1493-F1517 HydrophobicContact CB-CZ 4.35Å; H1493-F1517 AromaticContact CD2-CD1 3.65Å; H1493-F1517 AromaticContact CD2-CE1 3.57Å; H1493-F1517 AromaticContact CE1-CD1 3.39Å; H1493-F1517 WeakPolarHBondContact CE1-CD1 3.23Å; H1493-F1517 AromaticContact CE1-CG 3.52Å; H1493-F1517 AromaticContact CG-CD1 3.95Å; H1493-F1517 AromaticContact CG-CG 4Å; H1493-F1517 AromaticContact ND1-CD1 3.8Å; H1493-F1517 AromaticContact ND1-CD2 3.96Å; H1493-F1517 AromaticContact ND1-CG 3.59Å; H1493-F1517 AromaticContact NE2-CD1 3.35Å; H1493-F1517 WeakPolarHBondContact NE2-CD1 3.47Å; H1493-F1517 AromaticContact NE2-CE1 3.71Å; H1493-F1517 AromaticContact NE2-CG 3.95Å |
| 1494 | L | 73.6 | Confident | 67.1 | Low | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 178.2 | -55.8 | 168.1 | 0 | 0 | 0 | 110.9 | V1369 L1428 E1429 L1432 K1491 D1492 A1498 | V1369-L1494 HydrophobicContact CG1-CB 3.55Å; V1369-L1494 HydrophobicContact CG1-CD1 4.49Å; L1428-L1494 HydrophobicContact CB-CD2 3.92Å; L1428-L1494 HydrophobicContact CD2-CD2 4.04Å; L1428-L1494 HydrophobicContact CG-CD2 3.81Å; E1429-L1494 HydrophobicContact CB-CD2 4.4Å; E1429-L1494 HydrophobicContact CG-CD1 3.6Å; E1429-L1494 HydrophobicContact CG-CD2 3.81Å; E1429-L1494 HydrophobicContact CG-CG 4.19Å; L1432-L1494 HydrophobicContact CD1-CD2 4.13Å; K1491-L1494 HydrophobicContact CB-CD1 3.82Å; K1491-L1494 HydrophobicContact CD-CD1 4.26Å; K1491-L1494 HydrophobicContact CG-CD1 3.77Å; K1491-L1494 VanDerWaalsContact O-CB 3.23Å; K1491-L1494 WeakPolarHBondContact O-CB 3.49Å; K1491-L1494 PolarHBondContact O-N 2.63Å; D1492-L1494 VanDerWaalsContact C-N 3.29Å; D1492-L1494 PolarHBondContact O-N 3.41Å; L1494-A1498 VanDerWaalsContact O-CB 3.25Å; L1494-A1498 WeakPolarHBondContact O-CB 3.43Å; L1494-A1498 PolarHBondContact O-N 3.31Å |
| 1495 | Q | 69.5 | Low | 67.5 | Low | 121 Ų | 121 | 48.3 Ų | 48.3 | 57% | 0.565 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -75.6 | -30.6 | -175.7 | -66.9 | -173.3 | -19.9 | 0 | 0 | 112 | V1369 K1491 D1492 K1499 | V1369-Q1495 HydrophobicContact CG1-CG 4.5Å; K1491-Q1495 PolarHBondContact O-N 2.87Å; D1492-Q1495 PolarHBondContact O-N 2.79Å; Q1495-K1499 WeakPolarHBondContact O-CD 2.92Å; Q1495-K1499 VanDerWaalsContact O-CG 3.26Å; Q1495-K1499 WeakPolarHBondContact O-CG 3.44Å |
| 1496 | E | 74.3 | Confident | 67.6 | Low | 71 Ų | 71 | 47.7 Ų | 47.7 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.7 | -46.6 | 171.3 | -167.8 | 175.3 | -172.8 | 0 | 0 | 110.7 | D1492 K1499 I1500 R1516 F1517 | D1492-E1496 PolarHBondContact O-N 2.67Å; E1496-K1499 PolarHBondContact O-N 2.9Å; E1496-I1500 HydrophobicContact CG-CD1 4.18Å; E1496-I1500 WeakPolarHBondContact O-CD1 3.41Å; E1496-I1500 WeakPolarHBondContact O-CG1 3.39Å; E1496-R1516 IonicContact OE1-CZ 3.53Å; E1496-R1516 IonicContact OE1-NH1 3.46Å; E1496-R1516 IonicContact OE1-NH2 3.29Å; E1496-R1516 PolarHBondContact OE1-NH2 3.18Å; E1496-R1516 IonicContact OE2-NH2 3.23Å; E1496-F1517 HydrophobicContact CB-CZ 4.13Å; E1496-F1517 HydrophobicContact CG-CZ 3.99Å; E1496-F1517 VanDerWaalsContact OE2-CE1 3.25Å; E1496-F1517 WeakPolarHBondContact OE2-CE1 3.45Å; E1496-F1517 WeakPolarHBondContact OE2-CZ 3.4Å |
| 1497 | F | 78.1 | Confident | 67.5 | Low | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.5 | -46.2 | -179.6 | -174.5 | -95.4 | 0 | 0 | 0 | 113.5 | L1428 L1432 H1493 K1499 I1500 S1501 M1509 Y1514 F1517 P1644 V1647 A1648 L1651 | L1428-F1497 HydrophobicContact CD1-CD1 4.13Å; L1428-F1497 HydrophobicContact CD1-CE1 4.15Å; L1432-F1497 HydrophobicContact CD1-CB 3.54Å; L1432-F1497 HydrophobicContact CD1-CD1 3.94Å; L1432-F1497 HydrophobicContact CD1-CD2 4.47Å; L1432-F1497 HydrophobicContact CD1-CG 3.73Å; L1432-F1497 HydrophobicContact CD2-CB 4.37Å; L1432-F1497 HydrophobicContact CD2-CD1 3.79Å; L1432-F1497 HydrophobicContact CD2-CD2 3.77Å; L1432-F1497 HydrophobicContact CD2-CE1 3.96Å; L1432-F1497 HydrophobicContact CD2-CE2 3.94Å; L1432-F1497 HydrophobicContact CD2-CG 3.69Å; L1432-F1497 HydrophobicContact CD2-CZ 4.03Å; L1432-F1497 HydrophobicContact CG-CD1 4.45Å; L1432-F1497 HydrophobicContact CG-CG 4.39Å; H1493-F1497 WeakPolarHBondContact O-CB 3.07Å; H1493-F1497 PolarHBondContact O-N 3.31Å; F1497-K1499 PolarHBondContact O-N 3.29Å; F1497-I1500 PolarHBondContact O-N 3.13Å; F1497-S1501 PolarHBondContact O-N 3.29Å; F1497-M1509 HydrophobicContact CE2-SD 4.4Å; F1497-Y1514 HydrophobicContact CD2-CD2 4.47Å; F1497-Y1514 AromaticContact CE2-CD2 3.98Å; F1497-Y1514 HydrophobicContact CE2-CD2 3.98Å; F1497-F1517 HydrophobicContact CB-CE2 4.31Å; F1497-F1517 HydrophobicContact CD2-CE2 4.49Å; F1497-P1644 HydrophobicContact CD1-CB 4.26Å; F1497-P1644 HydrophobicContact CE1-CB 4.12Å; F1497-V1647 HydrophobicContact CZ-CB 4.32Å; F1497-V1647 HydrophobicContact CZ-CG1 3.93Å; F1497-A1648 HydrophobicContact CE1-CB 4.09Å; F1497-A1648 HydrophobicContact CZ-CB 4.07Å; F1497-L1651 HydrophobicContact CE2-CD1 3.52Å; F1497-L1651 HydrophobicContact CZ-CD1 3.68Å |
| 1498 | A | 71 | Confident | 67.8 | Low | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -29.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | G1367 S1368 V1369 L1494 I1500 S1501 P1644 | G1367-A1498 CarbonylContact C-O 3.3Å; G1367-A1498 VanDerWaalsContact CA-O 3.27Å; G1367-A1498 WeakPolarHBondContact CA-O 3.24Å; G1367-A1498 CarbonylContact O-C 3.6Å; G1367-A1498 VanDerWaalsContact O-C 3.27Å; S1368-A1498 VanDerWaalsContact C-CB 3.49Å; V1369-A1498 HydrophobicContact CG1-CB 4.28Å; L1494-A1498 VanDerWaalsContact O-CB 3.25Å; L1494-A1498 WeakPolarHBondContact O-CB 3.43Å; L1494-A1498 PolarHBondContact O-N 3.31Å; A1498-I1500 VanDerWaalsContact C-N 3.3Å; A1498-S1501 PolarHBondContact O-OG 3.44Å; A1498-P1644 HydrophobicContact CB-CG 4.18Å |
| 1499 | K | 68.6 | Low | 68 | Low | 155 Ų | 155 | 48.2 Ų | 48.2 | 67% | 0.674 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -69.8 | -28.1 | 173.2 | -71.6 | 174.1 | -176.6 | -178 | 0 | 113 | G1367 Q1495 E1496 F1497 | G1367-K1499 PolarHBondContact O-N 2.9Å; Q1495-K1499 WeakPolarHBondContact O-CD 2.92Å; Q1495-K1499 VanDerWaalsContact O-CG 3.26Å; Q1495-K1499 WeakPolarHBondContact O-CG 3.44Å; E1496-K1499 PolarHBondContact O-N 2.9Å; F1497-K1499 PolarHBondContact O-N 3.29Å |
| 1500 | I | 69.5 | Low | 68.6 | Low | 46 Ų | 46 | 47.8 Ų | 47.8 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -97.1 | -23.3 | -173.4 | -63.3 | 168.6 | 0 | 0 | 0 | 111.7 | E1496 F1497 A1498 N1502 V1503 M1509 T1513 | E1496-I1500 HydrophobicContact CG-CD1 4.18Å; E1496-I1500 WeakPolarHBondContact O-CD1 3.41Å; E1496-I1500 WeakPolarHBondContact O-CG1 3.39Å; F1497-I1500 PolarHBondContact O-N 3.13Å; A1498-I1500 VanDerWaalsContact C-N 3.3Å; I1500-N1502 PolarHBondContact O-N 2.87Å; I1500-V1503 WeakPolarHBondContact O-CB 3.36Å; I1500-V1503 WeakPolarHBondContact O-CG2 3.26Å; I1500-V1503 PolarHBondContact O-N 3.07Å; I1500-M1509 HydrophobicContact CG2-CG 4.26Å; I1500-M1509 HydrophobicContact CG2-SD 4.37Å; I1500-T1513 HydrophobicContact CD1-CG2 3.84Å |
| 1501 | S | 62.4 | Low | 69.1 | Low | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.7 | -176.9 | 73.7 | 0 | 0 | 0 | 0 | 114.3 | F1497 A1498 V1503 H1641 | F1497-S1501 PolarHBondContact O-N 3.29Å; A1498-S1501 PolarHBondContact O-OG 3.44Å; S1501-V1503 PolarHBondContact O-N 3.09Å; S1501-H1641 CarbonylContact C-O 3.51Å; S1501-H1641 CarbonylContact O-C 3.6Å; S1501-H1641 WeakPolarHBondContact O-CA 3.2Å; S1501-H1641 VanDerWaalsContact O-CB 3.27Å; S1501-H1641 WeakPolarHBondContact O-CB 3.29Å; S1501-H1641 PolarHBondContact OG-O 2.96Å; S1501-H1641 VanDerWaalsContact OG-O 3.07Å |
| 1502 | N | 60.2 | Low | 69.2 | Low | 50 Ų | 50 | 49.7 Ų | 49.7 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -7.5 | 177.3 | -69 | -22 | 0 | 0 | 0 | 114.5 | L1366 I1500 H1641 | L1366-N1502 WeakPolarHBondContact CD1-OD1 3.34Å; I1500-N1502 PolarHBondContact O-N 2.87Å; N1502-H1641 PolarHBondContact OD1-O 3.3Å |
| 1503 | V | 59 | Low | 69.3 | Low | 61 Ų | 61 | 47.4 Ų | 47.4 | 37% | 0.37 | 24% | 0.244 | S | C | . | . | trans | -78 | 130.8 | 174.8 | 177.5 | 0 | 0 | 0 | 0 | 110 | I1500 S1501 H1641 | I1500-V1503 WeakPolarHBondContact O-CB 3.36Å; I1500-V1503 WeakPolarHBondContact O-CG2 3.26Å; I1500-V1503 PolarHBondContact O-N 3.07Å; S1501-V1503 PolarHBondContact O-N 3.09Å; V1503-H1641 PolarHBondContact O-CE1 3.25Å; V1503-H1641 PolarHBondContact O-ND1 3.03Å | ||
| 1504 | S | 53.9 | Low | 69.5 | Low | 78 Ų | 78 | 46.5 Ų | 46.5 | 55% | 0.545 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -72.6 | -26.9 | -175.1 | 47.2 | 0 | 0 | 0 | 0 | 114.5 | W1506 H1641 | S1504-W1506 PolarHBondContact O-N 3.33Å; S1504-H1641 PolarHBondContact O-CE1 2.78Å |
| 1505 | D | 68 | Low | 69.8 | Low | 37 Ų | 37 | 47.9 Ų | 47.9 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | trans | -80.9 | 99 | 176 | -170.6 | -22.5 | 0 | 0 | 0 | 110.7 | E1507 Q1508 M1509 | D1505-E1507 VanDerWaalsContact C-N 3.33Å; D1505-E1507 WeakPolarHBondContact OD1-CA 3.3Å; D1505-E1507 PolarHBondContact OD1-N 2.99Å; D1505-Q1508 HydrophobicContact CB-CB 3.91Å; D1505-Q1508 VanDerWaalsContact CG-CB 3.43Å; D1505-Q1508 PolarHBondContact OD1-N 3.13Å; D1505-M1509 WeakPolarHBondContact O-CB 3.46Å; D1505-M1509 PolarHBondContact O-N 3.46Å | ||
| 1506 | W | 65 | Low | 70.3 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 6% | 0.057 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.7 | -21.9 | 178.6 | 60.2 | -96.5 | 0 | 0 | 0 | 112.9 | S1504 M1509 Y1510 L1651 Y1654 M1703 S1705 | S1504-W1506 PolarHBondContact O-N 3.33Å; W1506-M1509 HydrophobicContact CB-CE 4.41Å; W1506-Y1510 WeakPolarHBondContact O-CB 3.38Å; W1506-Y1510 PolarHBondContact O-N 3Å; W1506-L1651 WeakPolarHBondContact O-CD2 3.29Å; W1506-Y1654 HydrophobicContact CE3-CD2 4.37Å; W1506-Y1654 HydrophobicContact CH2-CD2 4.12Å; W1506-Y1654 AromaticContact CH2-CE2 3.98Å; W1506-Y1654 HydrophobicContact CH2-CE2 3.98Å; W1506-Y1654 AromaticContact CZ3-CD2 3.45Å; W1506-Y1654 HydrophobicContact CZ3-CD2 3.45Å; W1506-Y1654 VanDerWaalsContact CZ3-CD2 3.45Å; W1506-Y1654 AromaticContact CZ3-CE2 3.48Å; W1506-Y1654 HydrophobicContact CZ3-CE2 3.48Å; W1506-Y1654 VanDerWaalsContact CZ3-CE2 3.48Å; W1506-Y1654 HydrophobicContact CZ3-CG 4.24Å; W1506-M1703 WeakPolarHBondContact CZ2-O 3.28Å; W1506-S1705 PolarHBondContact NE1-O 3.19Å |
| 1507 | E | 64.1 | Low | 70.7 | Confident | 53 Ų | 53 | 44.3 Ų | 44.3 | 25% | 0.248 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -80.9 | -39.6 | 177.8 | -173.5 | 155.5 | -117.1 | 0 | 0 | 110.4 | D1505 Y1510 N1511 Y1654 N1707 | D1505-E1507 VanDerWaalsContact C-N 3.33Å; D1505-E1507 WeakPolarHBondContact OD1-CA 3.3Å; D1505-E1507 PolarHBondContact OD1-N 2.99Å; E1507-Y1510 PolarHBondContact O-N 3.14Å; E1507-N1511 WeakPolarHBondContact CG-ND2 3.22Å; E1507-N1511 WeakPolarHBondContact O-CB 3.22Å; E1507-N1511 PolarHBondContact O-N 3.47Å; E1507-N1511 PolarHBondContact O-ND2 2.78Å; E1507-Y1654 PolarHBondContact OE1-OH 2.94Å; E1507-N1707 PolarHBondContact OE2-ND2 3.4Å |
| 1508 | Q | 70.4 | Confident | 70.7 | Confident | 111 Ų | 111 | 45 Ų | 45 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 168.2 | -171.5 | -173.9 | 56.8 | 0 | 0 | 111.2 | D1505 Y1510 N1511 S1512 | D1505-Q1508 HydrophobicContact CB-CB 3.91Å; D1505-Q1508 VanDerWaalsContact CG-CB 3.43Å; D1505-Q1508 PolarHBondContact OD1-N 3.13Å; Q1508-Y1510 PolarHBondContact O-N 3.28Å; Q1508-N1511 PolarHBondContact O-N 2.82Å; Q1508-S1512 VanDerWaalsContact O-CB 3.26Å; Q1508-S1512 WeakPolarHBondContact O-CB 3.18Å; Q1508-S1512 PolarHBondContact O-N 2.63Å; Q1508-S1512 PolarHBondContact O-OG 2.91Å |
| 1509 | M | 72 | Confident | 71 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 176.3 | 173 | 169.1 | 37.3 | 0 | 0 | 112.4 | F1497 I1500 D1505 W1506 T1513 Y1514 V1647 L1651 | F1497-M1509 HydrophobicContact CE2-SD 4.4Å; I1500-M1509 HydrophobicContact CG2-CG 4.26Å; I1500-M1509 HydrophobicContact CG2-SD 4.37Å; D1505-M1509 WeakPolarHBondContact O-CB 3.46Å; D1505-M1509 PolarHBondContact O-N 3.46Å; W1506-M1509 HydrophobicContact CB-CE 4.41Å; M1509-T1513 PolarHBondContact O-N 3.03Å; M1509-Y1514 PolarHBondContact O-N 3.18Å; M1509-V1647 HydrophobicContact CE-CG1 3.4Å; M1509-V1647 HydrophobicContact SD-CG1 3.79Å; M1509-L1651 HydrophobicContact CE-CD1 4.47Å; M1509-L1651 HydrophobicContact CG-CD1 3.99Å; M1509-L1651 HydrophobicContact SD-CD1 4.1Å |
| 1510 | Y | 79 | Confident | 71.5 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -59.1 | -56.6 | 172.4 | -175.9 | -91 | 0 | 0 | 0 | 110.5 | W1506 E1507 Q1508 Y1514 N1515 L1651 Y1654 R1655 | W1506-Y1510 WeakPolarHBondContact O-CB 3.38Å; W1506-Y1510 PolarHBondContact O-N 3Å; E1507-Y1510 PolarHBondContact O-N 3.14Å; Q1508-Y1510 PolarHBondContact O-N 3.28Å; Y1510-Y1514 AromaticContact CD2-CD1 3.88Å; Y1510-Y1514 HydrophobicContact CD2-CD1 3.88Å; Y1510-Y1514 AromaticContact CE2-CD1 3.71Å; Y1510-Y1514 HydrophobicContact CE2-CD1 3.71Å; Y1510-Y1514 HydrophobicContact CE2-CE1 4.22Å; Y1510-Y1514 PolarHBondContact O-N 3.17Å; Y1510-N1515 HydrophobicContact CD1-CB 4.15Å; Y1510-N1515 HydrophobicContact CE1-CB 3.78Å; Y1510-N1515 WeakPolarHBondContact O-CB 3.27Å; Y1510-N1515 PolarHBondContact O-N 2.8Å; Y1510-L1651 HydrophobicContact CD2-CB 4.39Å; Y1510-L1651 HydrophobicContact CD2-CD2 4.16Å; Y1510-L1651 HydrophobicContact CG-CD2 4.49Å; Y1510-Y1654 AromaticContact CD1-CD1 3.67Å; Y1510-Y1654 HydrophobicContact CD1-CD1 3.67Å; Y1510-Y1654 AromaticContact CD1-CE1 3.46Å; Y1510-Y1654 HydrophobicContact CD1-CE1 3.46Å; Y1510-Y1654 VanDerWaalsContact CD1-CE1 3.46Å; Y1510-Y1654 AromaticContact CD2-CD1 3.57Å; Y1510-Y1654 HydrophobicContact CD2-CD1 3.57Å; Y1510-Y1654 HydrophobicContact CD2-CE1 4.25Å; Y1510-Y1654 HydrophobicContact CD2-CG 4.39Å; Y1510-Y1654 AromaticContact CE1-CD1 3.81Å; Y1510-Y1654 HydrophobicContact CE1-CD1 3.81Å; Y1510-Y1654 AromaticContact CE1-CE1 3.69Å; Y1510-Y1654 HydrophobicContact CE1-CE1 3.69Å; Y1510-Y1654 AromaticContact CE2-CD1 3.7Å; Y1510-Y1654 HydrophobicContact CE2-CD1 3.7Å; Y1510-Y1654 HydrophobicContact CE2-CE1 4.42Å; Y1510-Y1654 AromaticContact CG-CD1 3.57Å; Y1510-Y1654 HydrophobicContact CG-CD1 3.57Å; Y1510-Y1654 AromaticContact CG-CE1 3.78Å; Y1510-Y1654 HydrophobicContact CG-CE1 3.78Å; Y1510-Y1654 AromaticContact CZ-CD1 3.84Å; Y1510-R1655 HydrophobicContact CE2-CB 3.92Å; Y1510-R1655 HydrophobicContact CE2-CG 4.43Å |
| 1511 | N | 74.4 | Confident | 72.1 | Confident | 88 Ų | 88 | 40.7 Ų | 40.7 | 47% | 0.471 | 21% | 0.212 | S | C | . | . | I | π-helix | trans | -70.3 | -39.8 | -170.5 | -72 | -55.9 | 0 | 0 | 0 | 113.3 | E1507 Q1508 | E1507-N1511 WeakPolarHBondContact CG-ND2 3.22Å; E1507-N1511 WeakPolarHBondContact O-CB 3.22Å; E1507-N1511 PolarHBondContact O-N 3.47Å; E1507-N1511 PolarHBondContact O-ND2 2.78Å; Q1508-N1511 PolarHBondContact O-N 2.82Å |
| 1512 | S | 73.2 | Confident | 72.9 | Confident | 58 Ų | 58 | 41.7 Ų | 41.7 | 41% | 0.406 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -75.5 | -41.9 | -178.1 | 61.2 | 0 | 0 | 0 | 0 | 114 | Q1508 R1516 | Q1508-S1512 VanDerWaalsContact O-CB 3.26Å; Q1508-S1512 WeakPolarHBondContact O-CB 3.18Å; Q1508-S1512 PolarHBondContact O-N 2.63Å; Q1508-S1512 PolarHBondContact O-OG 2.91Å; S1512-R1516 WeakPolarHBondContact O-CB 3.47Å; S1512-R1516 PolarHBondContact O-NE 2.71Å |
| 1513 | T | 73.6 | Confident | 73.7 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 5% | 0.049 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -118.5 | -61.7 | -161 | -59 | 0 | 0 | 0 | 0 | 110.8 | I1500 M1509 R1516 F1517 | I1500-T1513 HydrophobicContact CD1-CG2 3.84Å; M1509-T1513 PolarHBondContact O-N 3.03Å; T1513-R1516 PolarHBondContact O-N 3.4Å; T1513-F1517 HydrophobicContact CG2-CD2 4.41Å; T1513-F1517 HydrophobicContact CG2-CE1 4.44Å; T1513-F1517 HydrophobicContact CG2-CE2 3.64Å; T1513-F1517 HydrophobicContact CG2-CZ 3.66Å; T1513-F1517 VanDerWaalsContact O-CG 3.3Å; T1513-F1517 WeakPolarHBondContact O-CG 3.2Å; T1513-F1517 PolarHBondContact O-N 2.91Å; T1513-F1517 VanDerWaalsContact O-N 3.09Å |
| 1514 | Y | 79.1 | Confident | 74.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -66.8 | -43.7 | -174.7 | -169.3 | -95.6 | 0 | 0 | 0 | 111.6 | L1431 L1432 P1433 F1497 M1509 Y1510 R1516 F1517 V1518 L1651 R1655 E2017 | L1431-Y1514 PolarHBondContact O-OH 3.15Å; L1432-Y1514 HydrophobicContact CD2-CD2 4.11Å; L1432-Y1514 HydrophobicContact CD2-CE2 3.84Å; P1433-Y1514 HydrophobicContact CG-CE2 4.38Å; F1497-Y1514 HydrophobicContact CD2-CD2 4.47Å; F1497-Y1514 AromaticContact CE2-CD2 3.98Å; F1497-Y1514 HydrophobicContact CE2-CD2 3.98Å; M1509-Y1514 PolarHBondContact O-N 3.18Å; Y1510-Y1514 AromaticContact CD2-CD1 3.88Å; Y1510-Y1514 HydrophobicContact CD2-CD1 3.88Å; Y1510-Y1514 AromaticContact CE2-CD1 3.71Å; Y1510-Y1514 HydrophobicContact CE2-CD1 3.71Å; Y1510-Y1514 HydrophobicContact CE2-CE1 4.22Å; Y1510-Y1514 PolarHBondContact O-N 3.17Å; Y1514-R1516 PolarHBondContact O-N 2.91Å; Y1514-F1517 WeakPolarHBondContact O-CB 3.19Å; Y1514-F1517 PolarHBondContact O-N 2.73Å; Y1514-V1518 HydrophobicContact CD1-CG2 4.18Å; Y1514-V1518 HydrophobicContact CE1-CG2 4.11Å; Y1514-V1518 WeakPolarHBondContact O-CG2 3.45Å; Y1514-V1518 PolarHBondContact O-N 2.81Å; Y1514-L1651 HydrophobicContact CD1-CB 4.13Å; Y1514-L1651 HydrophobicContact CD2-CB 4.3Å; Y1514-L1651 HydrophobicContact CD2-CD1 4.08Å; Y1514-L1651 HydrophobicContact CE1-CB 4.26Å; Y1514-L1651 HydrophobicContact CE2-CB 4.45Å; Y1514-L1651 HydrophobicContact CG-CB 4.16Å; Y1514-L1651 HydrophobicContact CG-CD1 4.11Å; Y1514-R1655 HydrophobicContact CE1-CB 4.23Å; Y1514-R1655 HydrophobicContact CE1-CG 4.4Å; Y1514-E2017 PolarHBondContact OH-OE2 2.84Å |
| 1515 | N | 79.8 | Confident | 75.9 | Confident | 36 Ų | 36 | 34.3 Ų | 34.3 | 19% | 0.193 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -37.2 | 177 | -172 | 71.1 | 0 | 0 | 0 | 112.5 | Y1510 F1517 V1518 E1519 | Y1510-N1515 HydrophobicContact CD1-CB 4.15Å; Y1510-N1515 HydrophobicContact CE1-CB 3.78Å; Y1510-N1515 WeakPolarHBondContact O-CB 3.27Å; Y1510-N1515 PolarHBondContact O-N 2.8Å; N1515-F1517 VanDerWaalsContact C-N 3.32Å; N1515-F1517 PolarHBondContact O-N 3.39Å; N1515-V1518 CarbonylContact O-C 3.16Å; N1515-V1518 WeakPolarHBondContact O-CA 3.43Å; N1515-V1518 WeakPolarHBondContact O-CB 3.36Å; N1515-V1518 PolarHBondContact O-N 3.25Å; N1515-V1518 VanDerWaalsContact O-N 3.08Å; N1515-E1519 PolarHBondContact ND2-OE1 3.36Å; N1515-E1519 WeakPolarHBondContact O-CG 3.23Å; N1515-E1519 PolarHBondContact O-N 3.19Å |
| 1516 | R | 80.9 | Confident | 76.2 | Confident | 115 Ų | 115 | 35.2 Ų | 35.2 | 43% | 0.434 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.8 | -41.4 | 172.2 | -178.2 | 178.1 | 56.4 | 124.1 | 11.2 | 111.5 | E1496 S1512 T1513 Y1514 E1519 A1520 | E1496-R1516 IonicContact OE1-CZ 3.53Å; E1496-R1516 IonicContact OE1-NH1 3.46Å; E1496-R1516 IonicContact OE1-NH2 3.29Å; E1496-R1516 PolarHBondContact OE1-NH2 3.18Å; E1496-R1516 IonicContact OE2-NH2 3.23Å; S1512-R1516 WeakPolarHBondContact O-CB 3.47Å; S1512-R1516 PolarHBondContact O-NE 2.71Å; T1513-R1516 PolarHBondContact O-N 3.4Å; Y1514-R1516 PolarHBondContact O-N 2.91Å; R1516-E1519 PolarHBondContact O-N 3.44Å; R1516-A1520 WeakPolarHBondContact O-CB 3.45Å; R1516-A1520 PolarHBondContact O-N 2.89Å; R1516-A1520 VanDerWaalsContact O-N 3.1Å |
| 1517 | F | 82.9 | Confident | 76.9 | Confident | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -38.8 | 172.2 | -57.9 | -24.7 | 0 | 0 | 0 | 112.3 | P1433 H1493 E1496 F1497 T1513 Y1514 N1515 E1521 | P1433-F1517 HydrophobicContact CB-CB 3.95Å; P1433-F1517 HydrophobicContact CG-CB 3.9Å; H1493-F1517 HydrophobicContact CB-CD2 4.38Å; H1493-F1517 HydrophobicContact CB-CE2 4.18Å; H1493-F1517 HydrophobicContact CB-CZ 4.35Å; H1493-F1517 AromaticContact CD2-CD1 3.65Å; H1493-F1517 AromaticContact CD2-CE1 3.57Å; H1493-F1517 AromaticContact CE1-CD1 3.39Å; H1493-F1517 WeakPolarHBondContact CE1-CD1 3.23Å; H1493-F1517 AromaticContact CE1-CG 3.52Å; H1493-F1517 AromaticContact CG-CD1 3.95Å; H1493-F1517 AromaticContact CG-CG 4Å; H1493-F1517 AromaticContact ND1-CD1 3.8Å; H1493-F1517 AromaticContact ND1-CD2 3.96Å; H1493-F1517 AromaticContact ND1-CG 3.59Å; H1493-F1517 AromaticContact NE2-CD1 3.35Å; H1493-F1517 WeakPolarHBondContact NE2-CD1 3.47Å; H1493-F1517 AromaticContact NE2-CE1 3.71Å; H1493-F1517 AromaticContact NE2-CG 3.95Å; E1496-F1517 HydrophobicContact CB-CZ 4.13Å; E1496-F1517 HydrophobicContact CG-CZ 3.99Å; E1496-F1517 VanDerWaalsContact OE2-CE1 3.25Å; E1496-F1517 WeakPolarHBondContact OE2-CE1 3.45Å; E1496-F1517 WeakPolarHBondContact OE2-CZ 3.4Å; F1497-F1517 HydrophobicContact CB-CE2 4.31Å; F1497-F1517 HydrophobicContact CD2-CE2 4.49Å; T1513-F1517 HydrophobicContact CG2-CD2 4.41Å; T1513-F1517 HydrophobicContact CG2-CE1 4.44Å; T1513-F1517 HydrophobicContact CG2-CE2 3.64Å; T1513-F1517 HydrophobicContact CG2-CZ 3.66Å; T1513-F1517 VanDerWaalsContact O-CG 3.3Å; T1513-F1517 WeakPolarHBondContact O-CG 3.2Å; T1513-F1517 PolarHBondContact O-N 2.91Å; T1513-F1517 VanDerWaalsContact O-N 3.09Å; Y1514-F1517 WeakPolarHBondContact O-CB 3.19Å; Y1514-F1517 PolarHBondContact O-N 2.73Å; N1515-F1517 VanDerWaalsContact C-N 3.32Å; N1515-F1517 PolarHBondContact O-N 3.39Å; F1517-E1521 WeakPolarHBondContact O-CB 3.26Å; F1517-E1521 PolarHBondContact O-N 3.4Å |
| 1518 | V | 77.1 | Confident | 77.6 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 9% | 0.085 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 175 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | P1433 Y1514 N1515 A1520 E1521 V1522 R1655 | P1433-V1518 HydrophobicContact CB-CG2 4.45Å; P1433-V1518 HydrophobicContact CG-CB 4.46Å; P1433-V1518 HydrophobicContact CG-CG2 3.57Å; Y1514-V1518 HydrophobicContact CD1-CG2 4.18Å; Y1514-V1518 HydrophobicContact CE1-CG2 4.11Å; Y1514-V1518 WeakPolarHBondContact O-CG2 3.45Å; Y1514-V1518 PolarHBondContact O-N 2.81Å; N1515-V1518 CarbonylContact O-C 3.16Å; N1515-V1518 WeakPolarHBondContact O-CA 3.43Å; N1515-V1518 WeakPolarHBondContact O-CB 3.36Å; N1515-V1518 PolarHBondContact O-N 3.25Å; N1515-V1518 VanDerWaalsContact O-N 3.08Å; V1518-A1520 PolarHBondContact O-N 3.3Å; V1518-E1521 PolarHBondContact O-N 3.16Å; V1518-V1522 HydrophobicContact CG1-CG2 4.14Å; V1518-V1522 WeakPolarHBondContact O-CB 3.32Å; V1518-V1522 VanDerWaalsContact O-CG2 3.23Å; V1518-V1522 WeakPolarHBondContact O-CG2 3.43Å; V1518-V1522 PolarHBondContact O-N 2.83Å; V1518-R1655 HydrophobicContact CG2-CG 4.4Å; V1518-R1655 VanDerWaalsContact CG2-CZ 3.4Å |
| 1519 | E | 78.5 | Confident | 78.1 | Confident | 105 Ų | 105 | 30 Ų | 30 | 49% | 0.491 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.3 | -38.6 | -178.5 | -72.9 | 178.2 | -171.7 | 0 | 0 | 112.2 | N1515 R1516 S1523 | N1515-E1519 PolarHBondContact ND2-OE1 3.36Å; N1515-E1519 WeakPolarHBondContact O-CG 3.23Å; N1515-E1519 PolarHBondContact O-N 3.19Å; R1516-E1519 PolarHBondContact O-N 3.44Å; E1519-S1523 WeakPolarHBondContact O-CB 3.2Å; E1519-S1523 PolarHBondContact O-N 2.88Å; E1519-S1523 PolarHBondContact O-OG 2.67Å |
| 1520 | A | 79.2 | Confident | 78.1 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.6 | -47 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | F1460 R1516 V1518 S1523 L1524 | F1460-A1520 HydrophobicContact CD1-CB 3.72Å; F1460-A1520 HydrophobicContact CE1-CB 3.65Å; F1460-A1520 HydrophobicContact CG-CB 4.44Å; F1460-A1520 HydrophobicContact CZ-CB 4.32Å; R1516-A1520 WeakPolarHBondContact O-CB 3.45Å; R1516-A1520 PolarHBondContact O-N 2.89Å; R1516-A1520 VanDerWaalsContact O-N 3.1Å; V1518-A1520 PolarHBondContact O-N 3.3Å; A1520-S1523 PolarHBondContact O-N 3.39Å; A1520-L1524 WeakPolarHBondContact O-CB 3.37Å; A1520-L1524 WeakPolarHBondContact O-CG 3.45Å; A1520-L1524 PolarHBondContact O-N 2.68Å |
| 1521 | E | 81.8 | Confident | 78 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.9 | -51.4 | 176.1 | 178.3 | -178.5 | -120.1 | 0 | 0 | 111.2 | P1433 R1434 L1439 F1517 V1518 S1523 L1524 M1525 R1655 | P1433-E1521 HydrophobicContact CB-CB 3.98Å; R1434-E1521 HydrophobicContact CB-CG 4.48Å; R1434-E1521 IonicContact CZ-OE1 2.75Å; R1434-E1521 PolarHBondContact N-OE1 2.84Å; R1434-E1521 VanDerWaalsContact N-OE1 3.16Å; R1434-E1521 IonicContact NE-OE1 3.88Å; R1434-E1521 PolarHBondContact NE-OE1 2.91Å; R1434-E1521 IonicContact NH2-OE1 2.56Å; R1434-E1521 PolarHBondContact NH2-OE1 2.95Å; L1439-E1521 HydrophobicContact CD1-CG 4.41Å; F1517-E1521 WeakPolarHBondContact O-CB 3.26Å; F1517-E1521 PolarHBondContact O-N 3.4Å; V1518-E1521 PolarHBondContact O-N 3.16Å; E1521-S1523 PolarHBondContact O-N 2.98Å; E1521-L1524 PolarHBondContact O-N 2.99Å; E1521-M1525 HydrophobicContact CG-CG 3.94Å; E1521-M1525 WeakPolarHBondContact O-CB 3.45Å; E1521-M1525 WeakPolarHBondContact O-CG 3.49Å; E1521-M1525 PolarHBondContact O-N 3.29Å; E1521-R1655 IonicContact OE2-NH2 2.71Å; E1521-R1655 PolarHBondContact OE2-NH2 3.3Å |
| 1522 | V | 78.4 | Confident | 78.3 | Confident | 22 Ų | 22 | 29.1 Ų | 29.1 | 13% | 0.133 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.9 | -50 | -179.5 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | V1518 L1524 M1525 H1526 L2015 | V1518-V1522 HydrophobicContact CG1-CG2 4.14Å; V1518-V1522 WeakPolarHBondContact O-CB 3.32Å; V1518-V1522 VanDerWaalsContact O-CG2 3.23Å; V1518-V1522 WeakPolarHBondContact O-CG2 3.43Å; V1518-V1522 PolarHBondContact O-N 2.83Å; V1522-L1524 PolarHBondContact O-N 3.32Å; V1522-M1525 PolarHBondContact O-N 3.31Å; V1522-H1526 PolarHBondContact O-CD2 3.46Å; V1522-H1526 VanDerWaalsContact O-CD2 3.28Å; V1522-H1526 PolarHBondContact O-N 2.76Å; V1522-L2015 HydrophobicContact CB-CD1 4.25Å; V1522-L2015 HydrophobicContact CG2-CD1 3.79Å |
| 1523 | S | 76.5 | Confident | 78.5 | Confident | 32 Ų | 32 | 29.1 Ų | 29.1 | 22% | 0.224 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.7 | -54.2 | 178.2 | -70.5 | 0 | 0 | 0 | 0 | 112.9 | E1519 A1520 E1521 M1525 H1526 Y1527 | E1519-S1523 WeakPolarHBondContact O-CB 3.2Å; E1519-S1523 PolarHBondContact O-N 2.88Å; E1519-S1523 PolarHBondContact O-OG 2.67Å; A1520-S1523 PolarHBondContact O-N 3.39Å; E1521-S1523 PolarHBondContact O-N 2.98Å; S1523-M1525 VanDerWaalsContact C-N 3.34Å; S1523-M1525 PolarHBondContact O-N 3.3Å; S1523-H1526 PolarHBondContact O-N 3.37Å; S1523-Y1527 PolarHBondContact O-N 3.48Å; S1523-Y1527 VanDerWaalsContact O-N 3.11Å |
| 1524 | L | 80.2 | Confident | 78.5 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -74.3 | -25 | -177.6 | -66.2 | 170.3 | 0 | 0 | 0 | 112.2 | A1436 L1439 I1443 A1520 E1521 V1522 Y1527 L1528 | A1436-L1524 HydrophobicContact CB-CD1 3.79Å; L1439-L1524 HydrophobicContact CB-CB 3.9Å; L1439-L1524 HydrophobicContact CB-CD1 4.03Å; L1439-L1524 HydrophobicContact CD1-CB 3.7Å; L1439-L1524 HydrophobicContact CD1-CD1 4.45Å; L1439-L1524 HydrophobicContact CG-CB 4.46Å; I1443-L1524 HydrophobicContact CD1-CD2 4.19Å; A1520-L1524 WeakPolarHBondContact O-CB 3.37Å; A1520-L1524 WeakPolarHBondContact O-CG 3.45Å; A1520-L1524 PolarHBondContact O-N 2.68Å; E1521-L1524 PolarHBondContact O-N 2.99Å; V1522-L1524 PolarHBondContact O-N 3.32Å; L1524-Y1527 PolarHBondContact O-N 2.79Å; L1524-L1528 VanDerWaalsContact O-CB 3.3Å; L1524-L1528 WeakPolarHBondContact O-CB 3.17Å; L1524-L1528 PolarHBondContact O-N 2.94Å |
| 1525 | M | 78.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70 | -41.5 | 169.5 | -76.6 | -75 | 91.3 | 0 | 0 | 112.7 | L1439 E1521 V1522 S1523 Y1527 L1528 R1529 C1564 M2011 L2015 | L1439-M1525 HydrophobicContact CD1-CE 4.1Å; L1439-M1525 HydrophobicContact CD1-CG 4.46Å; L1439-M1525 HydrophobicContact CD2-CE 3.36Å; L1439-M1525 HydrophobicContact CG-CE 4.35Å; E1521-M1525 HydrophobicContact CG-CG 3.94Å; E1521-M1525 WeakPolarHBondContact O-CB 3.45Å; E1521-M1525 WeakPolarHBondContact O-CG 3.49Å; E1521-M1525 PolarHBondContact O-N 3.29Å; V1522-M1525 PolarHBondContact O-N 3.31Å; S1523-M1525 VanDerWaalsContact C-N 3.34Å; S1523-M1525 PolarHBondContact O-N 3.3Å; M1525-Y1527 VanDerWaalsContact C-N 3.28Å; M1525-Y1527 PolarHBondContact O-N 3.35Å; M1525-L1528 HydrophobicContact CE-CB 4.19Å; M1525-L1528 HydrophobicContact CE-CD2 3.63Å; M1525-L1528 HydrophobicContact CE-CG 4.43Å; M1525-L1528 PolarHBondContact O-N 2.86Å; M1525-R1529 WeakPolarHBondContact O-CB 3.29Å; M1525-R1529 WeakPolarHBondContact O-CG 3.42Å; M1525-R1529 PolarHBondContact O-N 2.65Å; M1525-C1564 HydrophobicContact CE-CB 4.5Å; M1525-M2011 HydrophobicContact CB-CE 4.14Å; M1525-L2015 HydrophobicContact CB-CD1 3.75Å; M1525-L2015 HydrophobicContact CB-CD2 4.35Å; M1525-L2015 HydrophobicContact CG-CD1 3.94Å; M1525-L2015 HydrophobicContact CG-CD2 3.78Å; M1525-L2015 HydrophobicContact SD-CD2 4.18Å |
| 1526 | H | 75.4 | Confident | 77.9 | Confident | 56 Ų | 56 | 35.8 Ų | 35.8 | 26% | 0.259 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.5 | -42.7 | 170.5 | -89.4 | -99.2 | 0 | 0 | 0 | 110.8 | V1522 S1523 S1530 N2008 M2011 | V1522-H1526 PolarHBondContact O-CD2 3.46Å; V1522-H1526 VanDerWaalsContact O-CD2 3.28Å; V1522-H1526 PolarHBondContact O-N 2.76Å; S1523-H1526 PolarHBondContact O-N 3.37Å; H1526-S1530 WeakPolarHBondContact O-CB 3.4Å; H1526-S1530 PolarHBondContact O-N 3.46Å; H1526-S1530 VanDerWaalsContact O-N 3.07Å; H1526-S1530 PolarHBondContact O-OG 3.14Å; H1526-N2008 PolarHBondContact CE1-OD1 2.77Å; H1526-M2011 WeakPolarHBondContact NE2-CB 3.36Å; H1526-M2011 WeakPolarHBondContact NE2-CG 3.43Å |
| 1527 | Y | 79.2 | Confident | 77.3 | Confident | 32 Ų | 32 | 39.7 Ų | 39.7 | 13% | 0.125 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -50.4 | 176.4 | -171.7 | -80 | 0 | 0 | 0 | 112.4 | I1443 I1451 S1523 L1524 M1525 R1529 S1530 T1531 | I1443-Y1527 HydrophobicContact CD1-CD1 3.56Å; I1443-Y1527 HydrophobicContact CD1-CE1 4.18Å; I1443-Y1527 HydrophobicContact CD1-CG 4.4Å; I1443-Y1527 HydrophobicContact CG1-CD1 3.93Å; I1443-Y1527 HydrophobicContact CG1-CE1 4.22Å; I1443-Y1527 HydrophobicContact CG2-CD1 4.14Å; I1443-Y1527 HydrophobicContact CG2-CE1 3.59Å; I1451-Y1527 WeakPolarHBondContact CG2-OH 3.23Å; I1451-Y1527 WeakPolarHBondContact O-CE2 3.16Å; I1451-Y1527 VanDerWaalsContact O-CZ 3.25Å; I1451-Y1527 PolarHBondContact O-OH 3.36Å; S1523-Y1527 PolarHBondContact O-N 3.48Å; S1523-Y1527 VanDerWaalsContact O-N 3.11Å; L1524-Y1527 PolarHBondContact O-N 2.79Å; M1525-Y1527 VanDerWaalsContact C-N 3.28Å; M1525-Y1527 PolarHBondContact O-N 3.35Å; Y1527-R1529 PolarHBondContact O-N 2.75Å; Y1527-S1530 CarbonylContact O-C 3.48Å; Y1527-S1530 WeakPolarHBondContact O-CA 3.47Å; Y1527-S1530 WeakPolarHBondContact O-CB 3.07Å; Y1527-S1530 PolarHBondContact O-N 2.74Å; Y1527-T1531 HydrophobicContact CD1-CG2 4.03Å; Y1527-T1531 HydrophobicContact CE1-CG2 3.34Å; Y1527-T1531 PolarHBondContact O-N 3.35Å |
| 1528 | L | 78.9 | Confident | 76.7 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -34.4 | -178.6 | -176 | 59.5 | 0 | 0 | 0 | 112.3 | L1442 I1443 L1524 M1525 S1530 T1531 N1532 C1564 | L1442-L1528 HydrophobicContact CB-CD2 4.33Å; L1442-L1528 HydrophobicContact CD1-CD2 4.03Å; I1443-L1528 HydrophobicContact CG1-CB 4.36Å; I1443-L1528 HydrophobicContact CG1-CD1 4.01Å; L1524-L1528 VanDerWaalsContact O-CB 3.3Å; L1524-L1528 WeakPolarHBondContact O-CB 3.17Å; L1524-L1528 PolarHBondContact O-N 2.94Å; M1525-L1528 HydrophobicContact CE-CB 4.19Å; M1525-L1528 HydrophobicContact CE-CD2 3.63Å; M1525-L1528 HydrophobicContact CE-CG 4.43Å; M1525-L1528 PolarHBondContact O-N 2.86Å; L1528-S1530 VanDerWaalsContact C-N 3.29Å; L1528-S1530 PolarHBondContact O-N 3.22Å; L1528-T1531 WeakPolarHBondContact CA-OG1 3.3Å; L1528-T1531 PolarHBondContact O-N 2.93Å; L1528-T1531 PolarHBondContact O-OG1 2.85Å; L1528-N1532 WeakPolarHBondContact CD1-ND2 3.4Å; L1528-N1532 WeakPolarHBondContact CG-ND2 3.26Å; L1528-N1532 WeakPolarHBondContact O-CB 3.46Å; L1528-N1532 PolarHBondContact O-N 3.29Å; L1528-N1532 PolarHBondContact O-ND2 3.1Å; L1528-C1564 HydrophobicContact CD2-CB 4.03Å; L1528-C1564 HydrophobicContact CG-CB 4.32Å |
| 1529 | R | 80.5 | Confident | 76.2 | Confident | 32 Ų | 32 | 51.3 Ų | 51.3 | 12% | 0.121 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.9 | -42.6 | 166.9 | -74.2 | 170.5 | 77.8 | 105.6 | -21.7 | 111.2 | M1525 Y1527 N1532 M1533 E1562 L1563 C1564 R1565 M2011 | M1525-R1529 WeakPolarHBondContact O-CB 3.29Å; M1525-R1529 WeakPolarHBondContact O-CG 3.42Å; M1525-R1529 PolarHBondContact O-N 2.65Å; Y1527-R1529 PolarHBondContact O-N 2.75Å; R1529-N1532 PolarHBondContact O-N 3.35Å; R1529-M1533 VanDerWaalsContact O-CB 3.23Å; R1529-M1533 WeakPolarHBondContact O-CB 3.27Å; R1529-M1533 WeakPolarHBondContact O-CG 3.13Å; R1529-M1533 PolarHBondContact O-N 3.02Å; R1529-E1562 PolarHBondContact NH1-O 2.98Å; R1529-L1563 WeakPolarHBondContact CD-O 3.37Å; R1529-L1563 WeakPolarHBondContact CG-O 3.31Å; R1529-L1563 PolarHBondContact NH1-O 2.87Å; R1529-C1564 WeakPolarHBondContact CA-O 3.19Å; R1529-R1565 HydrophobicContact CB-CG 4.33Å; R1529-R1565 HydrophobicContact CG-CB 4.38Å; R1529-R1565 HydrophobicContact CG-CG 3.95Å; R1529-M2011 VanDerWaalsContact CD-CE 3.44Å; R1529-M2011 WeakPolarHBondContact CD-SD 3.33Å; R1529-M2011 PolarHBondContact NE-SD 3.45Å; R1529-M2011 PolarHBondContact NH2-SD 2.81Å |
| 1530 | S | 73.5 | Confident | 75.8 | Confident | 62 Ų | 62 | 50.7 Ų | 50.7 | 43% | 0.434 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.5 | -30.9 | -178.7 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | H1526 Y1527 L1528 R1534 | H1526-S1530 WeakPolarHBondContact O-CB 3.4Å; H1526-S1530 PolarHBondContact O-N 3.46Å; H1526-S1530 VanDerWaalsContact O-N 3.07Å; H1526-S1530 PolarHBondContact O-OG 3.14Å; Y1527-S1530 CarbonylContact O-C 3.48Å; Y1527-S1530 WeakPolarHBondContact O-CA 3.47Å; Y1527-S1530 WeakPolarHBondContact O-CB 3.07Å; Y1527-S1530 PolarHBondContact O-N 2.74Å; L1528-S1530 VanDerWaalsContact C-N 3.29Å; L1528-S1530 PolarHBondContact O-N 3.22Å; S1530-R1534 WeakPolarHBondContact O-CB 3.3Å; S1530-R1534 VanDerWaalsContact O-CG 3.23Å; S1530-R1534 WeakPolarHBondContact O-CG 3.23Å; S1530-R1534 PolarHBondContact O-N 3.29Å; S1530-R1534 PolarHBondContact O-NE 3.26Å |
| 1531 | T | 77 | Confident | 75.5 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 14% | 0.141 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73 | -45.8 | 168.5 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | Y1527 L1528 M1533 R1534 K1535 | Y1527-T1531 HydrophobicContact CD1-CG2 4.03Å; Y1527-T1531 HydrophobicContact CE1-CG2 3.34Å; Y1527-T1531 PolarHBondContact O-N 3.35Å; L1528-T1531 WeakPolarHBondContact CA-OG1 3.3Å; L1528-T1531 PolarHBondContact O-N 2.93Å; L1528-T1531 PolarHBondContact O-OG1 2.85Å; T1531-M1533 PolarHBondContact O-N 2.71Å; T1531-R1534 VanDerWaalsContact CG2-NH2 3.31Å; T1531-R1534 CarbonylContact O-C 3.58Å; T1531-R1534 WeakPolarHBondContact O-CA 3.2Å; T1531-R1534 WeakPolarHBondContact O-CB 3.47Å; T1531-R1534 PolarHBondContact O-N 3.32Å; T1531-K1535 PolarHBondContact O-N 2.76Å |
| 1532 | N | 80.7 | Confident | 74.7 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.011 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.3 | -33 | 179.9 | -71.2 | -44.4 | 0 | 0 | 0 | 113.8 | L1528 R1529 K1535 S1536 C1564 R1565 D1566 | L1528-N1532 WeakPolarHBondContact CD1-ND2 3.4Å; L1528-N1532 WeakPolarHBondContact CG-ND2 3.26Å; L1528-N1532 WeakPolarHBondContact O-CB 3.46Å; L1528-N1532 PolarHBondContact O-N 3.29Å; L1528-N1532 PolarHBondContact O-ND2 3.1Å; R1529-N1532 PolarHBondContact O-N 3.35Å; N1532-K1535 WeakPolarHBondContact O-CB 3.27Å; N1532-K1535 PolarHBondContact O-N 2.7Å; N1532-K1535 WeakPolarHBondContact OD1-CD 3.48Å; N1532-K1535 WeakPolarHBondContact OD1-CE 3.36Å; N1532-K1535 PolarHBondContact OD1-NZ 2.6Å; N1532-S1536 PolarHBondContact O-N 2.98Å; N1532-S1536 PolarHBondContact O-OG 2.57Å; N1532-S1536 VanDerWaalsContact O-OG 3.05Å; N1532-C1564 WeakPolarHBondContact CB-O 3.48Å; N1532-C1564 PolarHBondContact ND2-O 3.26Å; N1532-R1565 HydrophobicContact CB-CB 4.33Å; N1532-D1566 HydrophobicContact CB-CB 4.35Å; N1532-D1566 PolarHBondContact OD1-OD1 2.74Å |
| 1533 | M | 75.6 | Confident | 74.2 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 29% | 0.286 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73 | -26.8 | 170.1 | -68.6 | -63.3 | -71 | 0 | 0 | 112.2 | R1529 T1531 S1536 R1537 R1565 | R1529-M1533 VanDerWaalsContact O-CB 3.23Å; R1529-M1533 WeakPolarHBondContact O-CB 3.27Å; R1529-M1533 WeakPolarHBondContact O-CG 3.13Å; R1529-M1533 PolarHBondContact O-N 3.02Å; T1531-M1533 PolarHBondContact O-N 2.71Å; M1533-S1536 WeakPolarHBondContact CA-OG 3.42Å; M1533-S1536 PolarHBondContact O-OG 3.19Å; M1533-R1537 WeakPolarHBondContact O-CB 3.2Å; M1533-R1537 WeakPolarHBondContact O-CD 3.14Å; M1533-R1537 VanDerWaalsContact O-CG 3.22Å; M1533-R1537 WeakPolarHBondContact O-CG 3.26Å; M1533-R1537 PolarHBondContact O-N 2.59Å; M1533-R1565 HydrophobicContact CG-CB 3.87Å; M1533-R1565 HydrophobicContact CG-CG 4.13Å; M1533-R1565 HydrophobicContact SD-CB 3.9Å; M1533-R1565 HydrophobicContact SD-CG 4.13Å |
| 1534 | R | 74.4 | Confident | 73.9 | Confident | 126 Ų | 126 | 67 Ų | 67 | 48% | 0.475 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.7 | -45.7 | 166.4 | -80.4 | 177.9 | -76.6 | 171.5 | -3.3 | 111.3 | S1530 T1531 S1536 R1537 A1538 | S1530-R1534 WeakPolarHBondContact O-CB 3.3Å; S1530-R1534 VanDerWaalsContact O-CG 3.23Å; S1530-R1534 WeakPolarHBondContact O-CG 3.23Å; S1530-R1534 PolarHBondContact O-N 3.29Å; S1530-R1534 PolarHBondContact O-NE 3.26Å; T1531-R1534 VanDerWaalsContact CG2-NH2 3.31Å; T1531-R1534 CarbonylContact O-C 3.58Å; T1531-R1534 WeakPolarHBondContact O-CA 3.2Å; T1531-R1534 WeakPolarHBondContact O-CB 3.47Å; T1531-R1534 PolarHBondContact O-N 3.32Å; R1534-S1536 PolarHBondContact O-N 2.6Å; R1534-R1537 PolarHBondContact O-N 3.47Å; R1534-A1538 WeakPolarHBondContact O-CB 3.44Å; R1534-A1538 PolarHBondContact O-N 3.34Å |
| 1535 | K | 75.8 | Confident | 73.7 | Confident | 21 Ų | 21 | 69.3 Ų | 69.3 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -52.7 | -56.6 | 173.7 | -66.5 | -177.7 | -168.1 | 166.7 | 0 | 111.4 | D1446 T1531 N1532 R1537 A1538 Q1541 I1544 Y1546 D1566 | D1446-K1535 VanDerWaalsContact CG-CE 3.46Å; D1446-K1535 IonicContact OD1-NZ 3.17Å; D1446-K1535 PolarHBondContact OD1-NZ 3.48Å; D1446-K1535 VanDerWaalsContact OD1-NZ 3.12Å; D1446-K1535 WeakPolarHBondContact OD2-CE 3.22Å; D1446-K1535 IonicContact OD2-NZ 2.68Å; D1446-K1535 PolarHBondContact OD2-NZ 2.92Å; T1531-K1535 PolarHBondContact O-N 2.76Å; N1532-K1535 WeakPolarHBondContact O-CB 3.27Å; N1532-K1535 PolarHBondContact O-N 2.7Å; N1532-K1535 WeakPolarHBondContact OD1-CD 3.48Å; N1532-K1535 WeakPolarHBondContact OD1-CE 3.36Å; N1532-K1535 PolarHBondContact OD1-NZ 2.6Å; K1535-R1537 PolarHBondContact O-N 3.12Å; K1535-A1538 PolarHBondContact O-N 2.78Å; K1535-A1538 VanDerWaalsContact O-N 3.1Å; K1535-Q1541 PolarHBondContact O-NE2 2.87Å; K1535-I1544 HydrophobicContact CB-CG2 3.86Å; K1535-I1544 HydrophobicContact CD-CG2 4.17Å; K1535-I1544 HydrophobicContact CG-CG2 3.89Å; K1535-Y1546 VanDerWaalsContact C-OH 3.22Å; K1535-Y1546 HydrophobicContact CB-CE1 3.62Å; K1535-Y1546 HydrophobicContact CD-CD1 4.14Å; K1535-Y1546 HydrophobicContact CD-CE1 3.98Å; K1535-Y1546 HydrophobicContact CG-CE1 4.45Å; K1535-Y1546 PolarHBondContact O-OH 2.68Å; K1535-D1566 IonicContact NZ-OD1 2.65Å; K1535-D1566 PolarHBondContact NZ-OD1 3.47Å |
| 1536 | S | 70 | Confident | 73.6 | Confident | 36 Ų | 36 | 69.4 Ų | 69.4 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.1 | -18.9 | -176.2 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | N1532 M1533 R1534 | N1532-S1536 PolarHBondContact O-N 2.98Å; N1532-S1536 PolarHBondContact O-OG 2.57Å; N1532-S1536 VanDerWaalsContact O-OG 3.05Å; M1533-S1536 WeakPolarHBondContact CA-OG 3.42Å; M1533-S1536 PolarHBondContact O-OG 3.19Å; R1534-S1536 PolarHBondContact O-N 2.6Å |
| 1537 | R | 68.9 | Low | 73.6 | Confident | 198 Ų | 198 | 66.8 Ų | 66.8 | 75% | 0.747 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -94.5 | -14.3 | 173.3 | -70 | 175.3 | 172.8 | -176.2 | -2.4 | 114.2 | M1533 R1534 K1535 | M1533-R1537 WeakPolarHBondContact O-CB 3.2Å; M1533-R1537 WeakPolarHBondContact O-CD 3.14Å; M1533-R1537 VanDerWaalsContact O-CG 3.22Å; M1533-R1537 WeakPolarHBondContact O-CG 3.26Å; M1533-R1537 PolarHBondContact O-N 2.59Å; R1534-R1537 PolarHBondContact O-N 3.47Å; K1535-R1537 PolarHBondContact O-N 3.12Å |
| 1538 | A | 70.3 | Confident | 73.4 | Confident | 40 Ų | 40 | 67.4 Ų | 67.4 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -73.6 | 141.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1534 K1535 N1540 Q1541 I1544 | R1534-A1538 WeakPolarHBondContact O-CB 3.44Å; R1534-A1538 PolarHBondContact O-N 3.34Å; K1535-A1538 PolarHBondContact O-N 2.78Å; K1535-A1538 VanDerWaalsContact O-N 3.1Å; A1538-N1540 VanDerWaalsContact C-N 3.28Å; A1538-N1540 PolarHBondContact O-N 3.35Å; A1538-N1540 VanDerWaalsContact O-N 3.12Å; A1538-Q1541 PolarHBondContact O-NE2 3.09Å; A1538-I1544 HydrophobicContact CB-CD1 3.5Å |
| 1539 | K | 67.3 | Low | 73.2 | Confident | 220 Ų | 220 | 68.2 Ų | 68.2 | 96% | 0.957 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -64.6 | -22.3 | -164.5 | -66.4 | -179.8 | -178.7 | 173.6 | 0 | 115.7 | ||
| 1540 | N | 68.6 | Low | 72.8 | Confident | 92 Ų | 92 | 68.6 Ų | 68.6 | 49% | 0.492 | 33% | 0.328 | S | S | . | . | trans | -118.6 | 62.4 | -164.6 | -148.2 | -9.5 | 0 | 0 | 0 | 112.2 | A1538 E1542 K1543 | A1538-N1540 VanDerWaalsContact C-N 3.28Å; A1538-N1540 PolarHBondContact O-N 3.35Å; A1538-N1540 VanDerWaalsContact O-N 3.12Å; N1540-E1542 PolarHBondContact O-N 2.9Å; N1540-K1543 PolarHBondContact O-N 3.4Å; N1540-K1543 VanDerWaalsContact O-N 3.12Å | ||
| 1541 | Q | 73.5 | Confident | 72.7 | Confident | 67 Ų | 67 | 69.5 Ų | 69.5 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -23.4 | -170.7 | -66.9 | -68.3 | -57.6 | 0 | 0 | 115.1 | K1535 A1538 Y1546 | K1535-Q1541 PolarHBondContact O-NE2 2.87Å; A1538-Q1541 PolarHBondContact O-NE2 3.09Å; Q1541-Y1546 VanDerWaalsContact CD-OH 3.27Å; Q1541-Y1546 PolarHBondContact NE2-OH 3.38Å; Q1541-Y1546 VanDerWaalsContact NE2-OH 3.14Å; Q1541-Y1546 PolarHBondContact OE1-OH 3.49Å |
| 1542 | E | 65.5 | Low | 72.2 | Confident | 127 Ų | 127 | 69.4 Ų | 69.4 | 59% | 0.593 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -24.3 | 179.8 | -74.2 | 179 | 173.7 | 0 | 0 | 114.3 | N1540 P1552 L1554 | N1540-E1542 PolarHBondContact O-N 2.9Å; E1542-P1552 WeakPolarHBondContact O-CB 3.5Å; E1542-P1552 VanDerWaalsContact O-CG 3.29Å; E1542-P1552 WeakPolarHBondContact O-CG 3.15Å; E1542-L1554 HydrophobicContact CG-CD1 3.4Å; E1542-L1554 VanDerWaalsContact CG-CD1 3.4Å |
| 1543 | K | 67.4 | Low | 71.3 | Confident | 173 Ų | 173 | 70.2 Ų | 70.2 | 75% | 0.752 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -12.7 | 178.7 | -64.4 | -168.9 | 177.4 | -172.3 | 0 | 113.6 | N1540 | N1540-K1543 PolarHBondContact O-N 3.4Å; N1540-K1543 VanDerWaalsContact O-N 3.12Å |
| 1544 | I | 70.6 | Confident | 70.3 | Confident | 36 Ų | 36 | 69.8 Ų | 69.8 | 19% | 0.185 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -88.6 | 132.3 | -174.4 | -59 | 171.2 | 0 | 0 | 0 | 109.4 | K1535 A1538 Y1546 P1552 | K1535-I1544 HydrophobicContact CB-CG2 3.86Å; K1535-I1544 HydrophobicContact CD-CG2 4.17Å; K1535-I1544 HydrophobicContact CG-CG2 3.89Å; A1538-I1544 HydrophobicContact CB-CD1 3.5Å; I1544-Y1546 HydrophobicContact CB-CE2 3.75Å; I1544-Y1546 HydrophobicContact CG2-CD2 4.3Å; I1544-Y1546 HydrophobicContact CG2-CE1 4.18Å; I1544-Y1546 HydrophobicContact CG2-CE2 3.64Å; I1544-Y1546 VanDerWaalsContact O-CD2 3.23Å; I1544-Y1546 WeakPolarHBondContact O-CD2 3.38Å; I1544-Y1546 WeakPolarHBondContact O-CE2 3.48Å; I1544-P1552 WeakPolarHBondContact O-CA 3.21Å; I1544-P1552 VanDerWaalsContact O-CB 3.29Å; I1544-P1552 WeakPolarHBondContact O-CB 3.29Å |
| 1545 | V | 76 | Confident | 69.3 | Low | 50 Ų | 50 | 65.2 Ų | 65.2 | 30% | 0.303 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.1 | -178.9 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | R1550 | V1545-R1550 HydrophobicContact CG1-CB 3.69Å; V1545-R1550 HydrophobicContact CG1-CG 4.39Å |
| 1546 | Y | 76.6 | Confident | 68.3 | Low | 3 Ų | 3 | 65.5 Ų | 65.5 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 169.2 | 176.4 | -60.5 | -85.8 | 0 | 0 | 0 | 110.3 | K1535 Q1541 I1544 R1550 Q1551 M1558 W1567 | K1535-Y1546 VanDerWaalsContact C-OH 3.22Å; K1535-Y1546 HydrophobicContact CB-CE1 3.62Å; K1535-Y1546 HydrophobicContact CD-CD1 4.14Å; K1535-Y1546 HydrophobicContact CD-CE1 3.98Å; K1535-Y1546 HydrophobicContact CG-CE1 4.45Å; K1535-Y1546 PolarHBondContact O-OH 2.68Å; Q1541-Y1546 VanDerWaalsContact CD-OH 3.27Å; Q1541-Y1546 PolarHBondContact NE2-OH 3.38Å; Q1541-Y1546 VanDerWaalsContact NE2-OH 3.14Å; Q1541-Y1546 PolarHBondContact OE1-OH 3.49Å; I1544-Y1546 HydrophobicContact CB-CE2 3.75Å; I1544-Y1546 HydrophobicContact CG2-CD2 4.3Å; I1544-Y1546 HydrophobicContact CG2-CE1 4.18Å; I1544-Y1546 HydrophobicContact CG2-CE2 3.64Å; I1544-Y1546 VanDerWaalsContact O-CD2 3.23Å; I1544-Y1546 WeakPolarHBondContact O-CD2 3.38Å; I1544-Y1546 WeakPolarHBondContact O-CE2 3.48Å; Y1546-R1550 WeakPolarHBondContact O-CA 3.47Å; Y1546-R1550 PolarHBondContact O-N 2.9Å; Y1546-Q1551 PolarHBondContact N-O 3.28Å; Y1546-Q1551 PolarHBondContact O-N 2.88Å; Y1546-Q1551 VanDerWaalsContact O-N 3.09Å; Y1546-M1558 HydrophobicContact CG-CE 4.48Å; Y1546-W1567 HydrophobicContact CD1-CB 4.08Å |
| 1547 | C | 76.2 | Confident | 68 | Low | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 160 | 175.5 | -170.5 | 0 | 0 | 0 | 0 | 114.9 | C1549 R1550 M1558 W1567 V1568 H1569 C1572 | C1547-C1549 PolarHBondContact O-N 3.2Å; C1547-R1550 WeakPolarHBondContact O-CD 3.27Å; C1547-R1550 PolarHBondContact O-N 3.28Å; C1547-M1558 HydrophobicContact CB-CE 4.47Å; C1547-W1567 WeakPolarHBondContact CA-O 3.4Å; C1547-W1567 PolarHBondContact N-O 3.34Å; C1547-V1568 HydrophobicContact CB-CB 4.39Å; C1547-H1569 HydrophobicContact CB-CB 4.5Å; C1547-H1569 WeakPolarHBondContact CB-CE1 3.3Å; C1547-H1569 WeakPolarHBondContact CB-ND1 3.18Å; C1547-H1569 PolarHBondContact SG-CE1 3.24Å; C1547-H1569 PolarHBondContact SG-N 2.8Å; C1547-C1572 VanDerWaalsContact SG-CB 3.58Å |
| 1548 | I | 73.2 | Confident | 68.2 | Low | 46 Ų | 46 | 58.6 Ų | 58.6 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.1 | 174.3 | 73.7 | 175 | 0 | 0 | 0 | 112.6 | R1550 C1572 V1573 R1592 | I1548-R1550 VanDerWaalsContact C-N 3.25Å; I1548-R1550 PolarHBondContact O-N 3.36Å; I1548-C1572 VanDerWaalsContact CD1-O 3.23Å; I1548-C1572 WeakPolarHBondContact CD1-O 3.29Å; I1548-V1573 HydrophobicContact CD1-CG1 4.45Å; I1548-R1592 HydrophobicContact CG2-CG 4.17Å |
| 1549 | C | 74.7 | Confident | 68.2 | Low | 20 Ų | 20 | 57.8 Ų | 57.8 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -3.3 | 174.2 | 69.1 | 0 | 0 | 0 | 0 | 114.6 | C1547 Q1551 H1569 C1572 | C1547-C1549 PolarHBondContact O-N 3.2Å; C1549-Q1551 PolarHBondContact O-N 2.77Å; C1549-Q1551 PolarHBondContact O-NE2 2.65Å; C1549-H1569 PolarHBondContact SG-CE1 3.38Å; C1549-H1569 PolarHBondContact SG-ND1 3.32Å; C1549-H1569 VanDerWaalsContact SG-ND1 3.37Å; C1549-C1572 HydrophobicContact CB-CB 4.25Å |
| 1550 | R | 74 | Confident | 68.8 | Low | 40 Ų | 40 | 49.3 Ų | 49.3 | 15% | 0.151 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 46.1 | 177.2 | -51.4 | -60.4 | -128 | 103.2 | 53 | 114.2 | L1445 D1446 Q1482 V1545 Y1546 C1547 I1548 | L1445-R1550 VanDerWaalsContact O-CZ 3.23Å; L1445-R1550 PolarHBondContact O-NH1 3.46Å; L1445-R1550 PolarHBondContact O-NH2 3.15Å; D1446-R1550 IonicContact OD1-CZ 3.12Å; D1446-R1550 IonicContact OD1-NH1 3.48Å; D1446-R1550 PolarHBondContact OD1-NH1 3.37Å; Q1482-R1550 VanDerWaalsContact OE1-CG 3.26Å; Q1482-R1550 VanDerWaalsContact OE1-NE 3.07Å; V1545-R1550 HydrophobicContact CG1-CB 3.69Å; V1545-R1550 HydrophobicContact CG1-CG 4.39Å; Y1546-R1550 WeakPolarHBondContact O-CA 3.47Å; Y1546-R1550 PolarHBondContact O-N 2.9Å; C1547-R1550 WeakPolarHBondContact O-CD 3.27Å; C1547-R1550 PolarHBondContact O-N 3.28Å; I1548-R1550 VanDerWaalsContact C-N 3.25Å; I1548-R1550 PolarHBondContact O-N 3.36Å |
| 1551 | Q | 69.5 | Low | 69.4 | Low | 81 Ų | 81 | 44.9 Ų | 44.9 | 38% | 0.379 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 144.8 | 176.6 | -64.1 | -55.7 | -42.8 | 0 | 0 | 110.8 | Y1546 C1549 H1569 | Y1546-Q1551 PolarHBondContact N-O 3.28Å; Y1546-Q1551 PolarHBondContact O-N 2.88Å; Y1546-Q1551 VanDerWaalsContact O-N 3.09Å; C1549-Q1551 PolarHBondContact O-N 2.77Å; C1549-Q1551 PolarHBondContact O-NE2 2.65Å; Q1551-H1569 VanDerWaalsContact CA-NE2 3.35Å; Q1551-H1569 WeakPolarHBondContact CA-NE2 3.42Å; Q1551-H1569 WeakPolarHBondContact CB-NE2 3.27Å; Q1551-H1569 PolarHBondContact O-NE2 3.06Å |
| 1552 | P | 68.3 | Low | 69.3 | Low | 22 Ų | 22 | 44.3 Ų | 44.3 | 14% | 0.143 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 144.5 | 176.7 | -21.6 | 30.3 | 0 | 0 | 0 | 112.8 | K186 E1542 I1544 L1554 H1569 | K186-P1552 WeakPolarHBondContact CE-O 3.16Å; K186-P1552 PolarHBondContact NZ-O 2.88Å; E1542-P1552 WeakPolarHBondContact O-CB 3.5Å; E1542-P1552 VanDerWaalsContact O-CG 3.29Å; E1542-P1552 WeakPolarHBondContact O-CG 3.15Å; I1544-P1552 WeakPolarHBondContact O-CA 3.21Å; I1544-P1552 VanDerWaalsContact O-CB 3.29Å; I1544-P1552 WeakPolarHBondContact O-CB 3.29Å; P1552-L1554 PolarHBondContact O-N 3.35Å; P1552-H1569 PolarHBondContact O-NE2 3.29Å |
| 1553 | G | 60.3 | Low | 69.7 | Low | 19 Ų | 19 | 38.5 Ų | 38.5 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 40.4 | -156.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | M1558 | G1553-M1558 VanDerWaalsContact C-SD 3.57Å; G1553-M1558 WeakPolarHBondContact CA-SD 3.19Å; G1553-M1558 VanDerWaalsContact O-SD 3.4Å |
| 1554 | L | 55.9 | Low | 70.4 | Confident | 49 Ų | 49 | 30.4 Ų | 30.4 | 26% | 0.257 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | 11.6 | -174.2 | -80.5 | 161.4 | 0 | 0 | 0 | 113.4 | E1542 P1552 K2070 | E1542-L1554 HydrophobicContact CG-CD1 3.4Å; E1542-L1554 VanDerWaalsContact CG-CD1 3.4Å; P1552-L1554 PolarHBondContact O-N 3.35Å; L1554-K2070 PolarHBondContact O-NZ 3.45Å |
| 1555 | T | 52.8 | Low | 70.8 | Confident | 29 Ų | 29 | 31.2 Ų | 31.2 | 18% | 0.178 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -95.8 | -14.6 | -176.6 | 71.5 | 0 | 0 | 0 | 0 | 116 | K186 H1569 R1571 | K186-T1555 HydrophobicContact CD-CG2 4.15Å; T1555-H1569 PolarHBondContact OG1-CD2 2.84Å; T1555-R1571 PolarHBondContact OG1-NH2 3.39Å |
| 1556 | S | 53.9 | Low | 71.1 | Confident | 27 Ų | 27 | 29.1 Ų | 29.1 | 19% | 0.189 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -160.6 | -174.5 | 175.8 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | H1569 | S1556-H1569 WeakPolarHBondContact OG-CB 3.46Å; S1556-H1569 PolarHBondContact OG-CD2 2.78Å; S1556-H1569 VanDerWaalsContact OG-CD2 3.28Å |
| 1557 | F | 64.8 | Low | 71.4 | Confident | 52 Ų | 52 | 33 Ų | 33 | 23% | 0.228 | 16% | 0.164 | C | C | . | . | trans | -58.7 | 151.3 | 158.7 | 77.5 | -78.3 | 0 | 0 | 0 | 110.7 | L1559 G1570 | F1557-L1559 HydrophobicContact CE2-CD2 4.45Å; F1557-G1570 PolarHBondContact O-N 2.72Å | ||
| 1558 | M | 73.3 | Confident | 71.5 | Confident | 38 Ų | 38 | 33 Ų | 33 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 143 | -177.8 | -59 | -170.6 | 80.5 | 0 | 0 | 111.3 | Y1546 C1547 G1553 W1567 V1568 | Y1546-M1558 HydrophobicContact CG-CE 4.48Å; C1547-M1558 HydrophobicContact CB-CE 4.47Å; G1553-M1558 VanDerWaalsContact C-SD 3.57Å; G1553-M1558 WeakPolarHBondContact CA-SD 3.19Å; G1553-M1558 VanDerWaalsContact O-SD 3.4Å; M1558-W1567 HydrophobicContact CB-CE3 3.96Å; M1558-W1567 HydrophobicContact CE-CB 3.73Å; M1558-W1567 VanDerWaalsContact CE-O 3.29Å; M1558-W1567 WeakPolarHBondContact CE-O 3.34Å; M1558-W1567 HydrophobicContact SD-CB 4.4Å; M1558-V1568 CarbonylContact C-O 3.53Å; M1558-V1568 WeakPolarHBondContact CA-O 3.4Å; M1558-V1568 WeakPolarHBondContact CB-O 3.19Å |
| 1559 | L | 70.9 | Confident | 71.6 | Confident | 22 Ų | 22 | 30.8 Ų | 30.8 | 12% | 0.115 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.1 | 177.8 | -54.7 | 168.2 | 0 | 0 | 0 | 107.9 | F1557 W1567 V1568 V1573 L1575 Y1588 | F1557-L1559 HydrophobicContact CE2-CD2 4.45Å; L1559-W1567 WeakPolarHBondContact O-CA 3.41Å; L1559-V1568 HydrophobicContact CB-CG2 4.09Å; L1559-V1568 PolarHBondContact N-O 3.41Å; L1559-V1568 WeakPolarHBondContact O-CG2 3.15Å; L1559-V1568 PolarHBondContact O-N 3.31Å; L1559-V1573 HydrophobicContact CD1-CG2 4.18Å; L1559-L1575 HydrophobicContact CD1-CD2 3.7Å; L1559-L1575 HydrophobicContact CD1-CG 4.28Å; L1559-Y1588 HydrophobicContact CB-CD1 3.59Å; L1559-Y1588 HydrophobicContact CB-CD2 4.37Å; L1559-Y1588 HydrophobicContact CB-CE1 3.7Å; L1559-Y1588 HydrophobicContact CB-CE2 4.46Å; L1559-Y1588 HydrophobicContact CB-CG 3.96Å; L1559-Y1588 HydrophobicContact CD1-CD2 3.91Å; L1559-Y1588 HydrophobicContact CD1-CE1 4.27Å; L1559-Y1588 HydrophobicContact CD1-CE2 3.64Å; L1559-Y1588 HydrophobicContact CD1-CG 4.36Å |
| 1560 | Q | 79.7 | Confident | 71.3 | Confident | 42 Ų | 42 | 30.3 Ų | 30.3 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 127.3 | 170.6 | -165.2 | -178 | 39.4 | 0 | 0 | 109.3 | E1562 R1565 D1566 W1567 | Q1560-E1562 PolarHBondContact O-N 3.19Å; Q1560-R1565 WeakPolarHBondContact CG-O 3.09Å; Q1560-R1565 PolarHBondContact NE2-O 3.35Å; Q1560-D1566 WeakPolarHBondContact CA-O 3.09Å; Q1560-W1567 HydrophobicContact CB-CD2 3.83Å; Q1560-W1567 HydrophobicContact CB-CE3 3.96Å; Q1560-W1567 HydrophobicContact CB-CG 4.48Å; Q1560-W1567 HydrophobicContact CB-CH2 3.94Å; Q1560-W1567 HydrophobicContact CB-CZ2 3.8Å; Q1560-W1567 HydrophobicContact CB-CZ3 4.01Å; Q1560-W1567 HydrophobicContact CG-CD2 4.1Å; Q1560-W1567 HydrophobicContact CG-CG 4.37Å; Q1560-W1567 HydrophobicContact CG-CZ2 4.05Å |
| 1561 | C | 80.5 | Confident | 70.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -70.5 | 123.7 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | L1563 C1564 R1565 D1566 Y1588 C1590 | C1561-L1563 PolarHBondContact O-N 3.44Å; C1561-C1564 VanDerWaalsContact CB-SG 3.57Å; C1561-R1565 WeakPolarHBondContact O-CA 3.38Å; C1561-R1565 PolarHBondContact O-N 2.82Å; C1561-D1566 PolarHBondContact N-O 3.23Å; C1561-Y1588 CarbonylContact C-O 3.56Å; C1561-Y1588 WeakPolarHBondContact CA-O 3.35Å; C1561-C1590 HydrophobicContact CB-CB 4.04Å | ||
| 1562 | E | 71.5 | Confident | 70.8 | Confident | 54 Ų | 54 | 32 Ų | 32 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.9 | -178.9 | -74.7 | -170.6 | -136.6 | 0 | 0 | 113.8 | R1529 Q1560 R1587 Y1588 | R1529-E1562 PolarHBondContact NH1-O 2.98Å; Q1560-E1562 PolarHBondContact O-N 3.19Å; E1562-R1587 HydrophobicContact CB-CB 4.43Å; E1562-R1587 HydrophobicContact CG-CB 4.38Å; E1562-R1587 WeakPolarHBondContact OE1-CA 3.44Å; E1562-R1587 WeakPolarHBondContact OE1-CB 3.31Å; E1562-R1587 VanDerWaalsContact OE2-CD 3.25Å; E1562-R1587 WeakPolarHBondContact OE2-CD 3.45Å; E1562-R1587 VanDerWaalsContact OE2-CG 3.25Å; E1562-R1587 WeakPolarHBondContact OE2-CG 3.16Å; E1562-R1587 IonicContact OE2-NE 2.83Å; E1562-R1587 PolarHBondContact OE2-NE 3.13Å; E1562-Y1588 PolarHBondContact N-O 2.74Å; E1562-Y1588 PolarHBondContact OE1-N 3.48Å |
| 1563 | L | 73.7 | Confident | 70.6 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -62.1 | -175.4 | -58.5 | -179.8 | 0 | 0 | 0 | 113.3 | R1529 C1561 R1565 I1589 C1593 S1596 C2014 | R1529-L1563 WeakPolarHBondContact CD-O 3.37Å; R1529-L1563 WeakPolarHBondContact CG-O 3.31Å; R1529-L1563 PolarHBondContact NH1-O 2.87Å; C1561-L1563 PolarHBondContact O-N 3.44Å; L1563-R1565 VanDerWaalsContact C-N 3.32Å; L1563-I1589 HydrophobicContact CD1-CD1 3.72Å; L1563-I1589 HydrophobicContact CD1-CG1 3.87Å; L1563-I1589 HydrophobicContact CD1-CG2 4.19Å; L1563-I1589 HydrophobicContact CG-CD1 4.41Å; L1563-I1589 HydrophobicContact CG-CG1 4.24Å; L1563-C1593 HydrophobicContact CB-CB 4.44Å; L1563-C1593 HydrophobicContact CD1-CB 4.38Å; L1563-S1596 WeakPolarHBondContact CD1-OG 3.44Å; L1563-C2014 HydrophobicContact CD2-CB 3.66Å; L1563-C2014 VanDerWaalsContact CD2-O 3.22Å; L1563-C2014 WeakPolarHBondContact CD2-O 3.45Å |
| 1564 | C | 81.6 | Confident | 70.4 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9 | 176.6 | 65 | 0 | 0 | 0 | 0 | 113.5 | M1525 L1528 R1529 N1532 C1561 D1566 | M1525-C1564 HydrophobicContact CE-CB 4.5Å; L1528-C1564 HydrophobicContact CD2-CB 4.03Å; L1528-C1564 HydrophobicContact CG-CB 4.32Å; R1529-C1564 WeakPolarHBondContact CA-O 3.19Å; N1532-C1564 WeakPolarHBondContact CB-O 3.48Å; N1532-C1564 PolarHBondContact ND2-O 3.26Å; C1561-C1564 VanDerWaalsContact CB-SG 3.57Å; C1564-D1566 PolarHBondContact O-N 2.68Å; C1564-D1566 VanDerWaalsContact O-N 3.07Å |
| 1565 | R | 79.5 | Confident | 70.3 | Confident | 53 Ų | 53 | 36.9 Ų | 36.9 | 20% | 0.2 | 18% | 0.184 | C | C | . | . | trans | 59.3 | 7.3 | -174.1 | -62.2 | -66.8 | -173.8 | 163.9 | 1.4 | 115.7 | R1529 N1532 M1533 Q1560 C1561 L1563 | R1529-R1565 HydrophobicContact CB-CG 4.33Å; R1529-R1565 HydrophobicContact CG-CB 4.38Å; R1529-R1565 HydrophobicContact CG-CG 3.95Å; N1532-R1565 HydrophobicContact CB-CB 4.33Å; M1533-R1565 HydrophobicContact CG-CB 3.87Å; M1533-R1565 HydrophobicContact CG-CG 4.13Å; M1533-R1565 HydrophobicContact SD-CB 3.9Å; M1533-R1565 HydrophobicContact SD-CG 4.13Å; Q1560-R1565 WeakPolarHBondContact CG-O 3.09Å; Q1560-R1565 PolarHBondContact NE2-O 3.35Å; C1561-R1565 WeakPolarHBondContact O-CA 3.38Å; C1561-R1565 PolarHBondContact O-N 2.82Å; L1563-R1565 VanDerWaalsContact C-N 3.32Å | ||
| 1566 | D | 82.9 | Confident | 69.7 | Low | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | trans | -68.2 | 157.6 | 169.6 | -163.9 | 21.9 | 0 | 0 | 0 | 111.3 | N1532 K1535 Q1560 C1561 C1564 | N1532-D1566 HydrophobicContact CB-CB 4.35Å; N1532-D1566 PolarHBondContact OD1-OD1 2.74Å; K1535-D1566 IonicContact NZ-OD1 2.65Å; K1535-D1566 PolarHBondContact NZ-OD1 3.47Å; Q1560-D1566 WeakPolarHBondContact CA-O 3.09Å; C1561-D1566 PolarHBondContact N-O 3.23Å; C1564-D1566 PolarHBondContact O-N 2.68Å; C1564-D1566 VanDerWaalsContact O-N 3.07Å | ||
| 1567 | W | 82.1 | Confident | 69.1 | Low | 85 Ų | 85 | 38.1 Ų | 38.1 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.1 | 177.9 | -69.2 | 78.4 | 0 | 0 | 0 | 109.9 | Y1546 C1547 M1558 L1559 Q1560 | Y1546-W1567 HydrophobicContact CD1-CB 4.08Å; C1547-W1567 WeakPolarHBondContact CA-O 3.4Å; C1547-W1567 PolarHBondContact N-O 3.34Å; M1558-W1567 HydrophobicContact CB-CE3 3.96Å; M1558-W1567 HydrophobicContact CE-CB 3.73Å; M1558-W1567 VanDerWaalsContact CE-O 3.29Å; M1558-W1567 WeakPolarHBondContact CE-O 3.34Å; M1558-W1567 HydrophobicContact SD-CB 4.4Å; L1559-W1567 WeakPolarHBondContact O-CA 3.41Å; Q1560-W1567 HydrophobicContact CB-CD2 3.83Å; Q1560-W1567 HydrophobicContact CB-CE3 3.96Å; Q1560-W1567 HydrophobicContact CB-CG 4.48Å; Q1560-W1567 HydrophobicContact CB-CH2 3.94Å; Q1560-W1567 HydrophobicContact CB-CZ2 3.8Å; Q1560-W1567 HydrophobicContact CB-CZ3 4.01Å; Q1560-W1567 HydrophobicContact CG-CD2 4.1Å; Q1560-W1567 HydrophobicContact CG-CG 4.37Å; Q1560-W1567 HydrophobicContact CG-CZ2 4.05Å |
| 1568 | V | 77.8 | Confident | 67.7 | Low | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136.5 | 175.6 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | C1547 M1558 L1559 G1570 V1573 Y1588 C1590 | C1547-V1568 HydrophobicContact CB-CB 4.39Å; M1558-V1568 CarbonylContact C-O 3.53Å; M1558-V1568 WeakPolarHBondContact CA-O 3.4Å; M1558-V1568 WeakPolarHBondContact CB-O 3.19Å; L1559-V1568 HydrophobicContact CB-CG2 4.09Å; L1559-V1568 PolarHBondContact N-O 3.41Å; L1559-V1568 WeakPolarHBondContact O-CG2 3.15Å; L1559-V1568 PolarHBondContact O-N 3.31Å; V1568-G1570 PolarHBondContact O-N 3.2Å; V1568-V1573 HydrophobicContact CB-CG1 4Å; V1568-V1573 HydrophobicContact CG1-CG1 4.36Å; V1568-V1573 HydrophobicContact CG2-CG1 3.96Å; V1568-V1573 HydrophobicContact CG2-CG2 3.88Å; V1568-Y1588 HydrophobicContact CG2-CE1 3.52Å; V1568-C1590 HydrophobicContact CG1-CB 3.89Å; V1568-C1590 HydrophobicContact CG2-CB 4.26Å |
| 1569 | H | 76.4 | Confident | 66.1 | Low | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 125.6 | 168.4 | -65.7 | 109.7 | 0 | 0 | 0 | 109.1 | C1547 C1549 Q1551 P1552 T1555 S1556 R1571 C1572 | C1547-H1569 HydrophobicContact CB-CB 4.5Å; C1547-H1569 WeakPolarHBondContact CB-CE1 3.3Å; C1547-H1569 WeakPolarHBondContact CB-ND1 3.18Å; C1547-H1569 PolarHBondContact SG-CE1 3.24Å; C1547-H1569 PolarHBondContact SG-N 2.8Å; C1549-H1569 PolarHBondContact SG-CE1 3.38Å; C1549-H1569 PolarHBondContact SG-ND1 3.32Å; C1549-H1569 VanDerWaalsContact SG-ND1 3.37Å; Q1551-H1569 VanDerWaalsContact CA-NE2 3.35Å; Q1551-H1569 WeakPolarHBondContact CA-NE2 3.42Å; Q1551-H1569 WeakPolarHBondContact CB-NE2 3.27Å; Q1551-H1569 PolarHBondContact O-NE2 3.06Å; P1552-H1569 PolarHBondContact O-NE2 3.29Å; T1555-H1569 PolarHBondContact OG1-CD2 2.84Å; S1556-H1569 WeakPolarHBondContact OG-CB 3.46Å; S1556-H1569 PolarHBondContact OG-CD2 2.78Å; S1556-H1569 VanDerWaalsContact OG-CD2 3.28Å; H1569-R1571 HydrophobicContact CB-CG 4.24Å; H1569-R1571 PolarHBondContact O-N 3.3Å; H1569-C1572 HydrophobicContact CB-CB 4.11Å; H1569-C1572 PolarHBondContact O-N 3.33Å |
| 1570 | G | 68.7 | Low | 64.7 | Low | 10 Ų | 10 | 46.1 Ų | 46.1 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -4.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1557 V1568 | F1557-G1570 PolarHBondContact O-N 2.72Å; V1568-G1570 PolarHBondContact O-N 3.2Å |
| 1571 | R | 63.3 | Low | 62.6 | Low | 118 Ų | 118 | 48.3 Ų | 48.3 | 45% | 0.445 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -5.6 | 167.8 | 67 | 172 | -179.4 | 153.1 | -0.4 | 114.2 | T1555 H1569 | T1555-R1571 PolarHBondContact OG1-NH2 3.39Å; H1569-R1571 HydrophobicContact CB-CG 4.24Å; H1569-R1571 PolarHBondContact O-N 3.3Å |
| 1572 | C | 67.9 | Low | 60.5 | Low | 38 Ų | 38 | 52.6 Ų | 52.6 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -114 | 12.4 | -178.9 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | C1547 I1548 C1549 H1569 | C1547-C1572 VanDerWaalsContact SG-CB 3.58Å; I1548-C1572 VanDerWaalsContact CD1-O 3.23Å; I1548-C1572 WeakPolarHBondContact CD1-O 3.29Å; C1549-C1572 HydrophobicContact CB-CB 4.25Å; H1569-C1572 HydrophobicContact CB-CB 4.11Å; H1569-C1572 PolarHBondContact O-N 3.33Å |
| 1573 | V | 64.6 | Low | 59.1 | Low | 11 Ų | 11 | 52.5 Ų | 52.5 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -144.8 | 129.3 | 173.1 | -67.1 | 0 | 0 | 0 | 0 | 105.2 | I1548 L1559 V1568 L1575 Y1588 P1591 | I1548-V1573 HydrophobicContact CD1-CG1 4.45Å; L1559-V1573 HydrophobicContact CD1-CG2 4.18Å; V1568-V1573 HydrophobicContact CB-CG1 4Å; V1568-V1573 HydrophobicContact CG1-CG1 4.36Å; V1568-V1573 HydrophobicContact CG2-CG1 3.96Å; V1568-V1573 HydrophobicContact CG2-CG2 3.88Å; V1573-L1575 PolarHBondContact O-N 3.44Å; V1573-Y1588 VanDerWaalsContact CG2-OH 3.31Å; V1573-Y1588 WeakPolarHBondContact CG2-OH 3.21Å; V1573-P1591 HydrophobicContact CB-CG 4.44Å; V1573-P1591 HydrophobicContact CG1-CG 3.97Å |
| 1574 | T | 56.2 | Low | 57.5 | Low | 107 Ų | 107 | 58.2 Ų | 58.2 | 66% | 0.656 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 127.9 | 166.6 | 15.4 | 0 | 0 | 0 | 0 | 107.9 | ||
| 1575 | L | 53.2 | Low | 55.6 | Low | 74 Ų | 74 | 64 Ų | 64 | 39% | 0.387 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 123.5 | 155.9 | -75.9 | 170.6 | 0 | 0 | 0 | 105.6 | L1559 V1573 A1577 Y1588 | L1559-L1575 HydrophobicContact CD1-CD2 3.7Å; L1559-L1575 HydrophobicContact CD1-CG 4.28Å; V1573-L1575 PolarHBondContact O-N 3.44Å; L1575-A1577 PolarHBondContact O-N 3.24Å; L1575-Y1588 HydrophobicContact CD2-CD2 4.38Å; L1575-Y1588 HydrophobicContact CD2-CE2 4.21Å |
| 1576 | P | 42.2 | Very low | 54.1 | Low | 21 Ų | 21 | 64.5 Ų | 64.5 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 138.4 | 179.2 | 25.4 | -34.3 | 0 | 0 | 0 | 109.9 | L1578 | P1576-L1578 HydrophobicContact CB-CD2 4.3Å; P1576-L1578 HydrophobicContact CB-CG 4.23Å; P1576-L1578 HydrophobicContact CG-CD1 4.1Å; P1576-L1578 HydrophobicContact CG-CD2 4.18Å; P1576-L1578 HydrophobicContact CG-CG 3.98Å; P1576-L1578 PolarHBondContact O-N 3.42Å |
| 1577 | A | 40 | Very low | 52.9 | Low | 62 Ų | 62 | 68 Ų | 68 | 51% | 0.512 | 34% | 0.344 | S | S | . | . | trans | -69 | 95.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | L1575 | L1575-A1577 PolarHBondContact O-N 3.24Š| ||
| 1578 | L | 35.5 | Very low | 52.2 | Low | 43 Ų | 43 | 65.7 Ų | 65.7 | 23% | 0.225 | 34% | 0.336 | C | S | . | . | trans | -92.1 | 139.1 | -177.1 | -67.4 | 163.6 | 0 | 0 | 0 | 110.1 | P1576 E1582 T1583 M1586 | P1576-L1578 HydrophobicContact CB-CD2 4.3Å; P1576-L1578 HydrophobicContact CB-CG 4.23Å; P1576-L1578 HydrophobicContact CG-CD1 4.1Å; P1576-L1578 HydrophobicContact CG-CD2 4.18Å; P1576-L1578 HydrophobicContact CG-CG 3.98Å; P1576-L1578 PolarHBondContact O-N 3.42Å; L1578-E1582 HydrophobicContact CB-CB 4.46Å; L1578-E1582 HydrophobicContact CD2-CB 3.9Å; L1578-T1583 HydrophobicContact CB-CG2 4.41Å; L1578-T1583 HydrophobicContact CD1-CG2 4.07Å; L1578-M1586 HydrophobicContact CD1-CE 3.74Å; L1578-M1586 HydrophobicContact CD1-CG 3.56Å; L1578-M1586 HydrophobicContact CD1-SD 4.12Å; L1578-M1586 HydrophobicContact CD2-CE 3.64Å; L1578-M1586 HydrophobicContact CG-CE 4.34Å | ||
| 1579 | K | 38.9 | Very low | 51.7 | Low | 164 Ų | 164 | 66.4 Ų | 66.4 | 71% | 0.713 | 34% | 0.339 | S | S | * | . | trans | -67.9 | 147.1 | 163.4 | -60.2 | -175.7 | 178.5 | -172.5 | 0 | 108.4 | S1581 E1582 | K1579-S1581 PolarHBondContact O-N 3.29Å; K1579-E1582 PolarHBondContact O-N 3.11Å | ||
| 1580 | D | 41.7 | Very low | 51.6 | Low | 73 Ų | 73 | 66.4 Ų | 66.4 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -33.9 | -170.8 | -86.7 | -5.4 | 0 | 0 | 0 | 114 | E1582 T1583 C2369 | D1580-E1582 PolarHBondContact O-N 2.7Å; D1580-T1583 PolarHBondContact O-OG1 2.63Å; D1580-C2369 PolarHBondContact OD2-N 3.42Å |
| 1581 | S | 36.6 | Very low | 51.6 | Low | 87 Ų | 87 | 68 Ų | 68 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -21 | 177.8 | 52.7 | 0 | 0 | 0 | 0 | 115.6 | K1579 | K1579-S1581 PolarHBondContact O-N 3.29Š|
| 1582 | E | 36.2 | Very low | 52.1 | Low | 91 Ų | 91 | 63.3 Ų | 63.3 | 43% | 0.425 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -23.8 | -178.9 | -63.3 | -168.5 | 149 | 0 | 0 | 113 | L1578 K1579 D1580 E1584 R1585 | L1578-E1582 HydrophobicContact CB-CB 4.46Å; L1578-E1582 HydrophobicContact CD2-CB 3.9Å; K1579-E1582 PolarHBondContact O-N 3.11Å; D1580-E1582 PolarHBondContact O-N 2.7Å; E1582-E1584 PolarHBondContact O-N 2.84Å; E1582-E1584 VanDerWaalsContact O-N 3.12Å; E1582-R1585 PolarHBondContact O-N 2.83Å |
| 1583 | T | 42.7 | Very low | 52.4 | Low | 52 Ų | 52 | 61.6 Ų | 61.6 | 32% | 0.319 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -56.1 | -23.4 | 168.2 | 7.1 | 0 | 0 | 0 | 0 | 112.8 | L1578 D1580 R1585 M1586 | L1578-T1583 HydrophobicContact CB-CG2 4.41Å; L1578-T1583 HydrophobicContact CD1-CG2 4.07Å; D1580-T1583 PolarHBondContact O-OG1 2.63Å; T1583-R1585 PolarHBondContact O-N 3.22Å; T1583-R1585 VanDerWaalsContact O-N 3.14Å; T1583-M1586 PolarHBondContact O-N 3.33Å |
| 1584 | E | 39.3 | Very low | 52.5 | Low | 125 Ų | 125 | 62.3 Ų | 62.3 | 58% | 0.584 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -60.6 | -18.2 | 177.3 | -61.7 | -157.7 | 148.9 | 0 | 0 | 114.6 | E1582 K2056 | E1582-E1584 PolarHBondContact O-N 2.84Å; E1582-E1584 VanDerWaalsContact O-N 3.12Å; E1584-K2056 VanDerWaalsContact O-CE 3.3Å; E1584-K2056 WeakPolarHBondContact O-CE 3.33Å; E1584-K2056 PolarHBondContact O-NZ 3.46Å |
| 1585 | R | 42.4 | Very low | 52.8 | Low | 125 Ų | 125 | 57.3 Ų | 57.3 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -110.4 | -4.7 | -177.1 | -68.2 | -177.1 | 176.1 | 174.1 | -1.9 | 115.2 | E1582 T1583 R1587 | E1582-R1585 PolarHBondContact O-N 2.83Å; T1583-R1585 PolarHBondContact O-N 3.22Å; T1583-R1585 VanDerWaalsContact O-N 3.14Å; R1585-R1587 PolarHBondContact O-N 3.14Å |
| 1586 | M | 47.2 | Very low | 53.2 | Low | 64 Ų | 64 | 53.8 Ų | 53.8 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | trans | -77.3 | 85.9 | -160.8 | -78.5 | -70.6 | 165.9 | 0 | 0 | 115.9 | R1420 L1578 T1583 | R1420-M1586 PolarHBondContact NH2-SD 2.93Å; L1578-M1586 HydrophobicContact CD1-CE 3.74Å; L1578-M1586 HydrophobicContact CD1-CG 3.56Å; L1578-M1586 HydrophobicContact CD1-SD 4.12Å; L1578-M1586 HydrophobicContact CD2-CE 3.64Å; L1578-M1586 HydrophobicContact CG-CE 4.34Å; T1583-M1586 PolarHBondContact O-N 3.33Å | ||
| 1587 | R | 56.9 | Low | 54.1 | Low | 78 Ų | 78 | 54.2 Ų | 54.2 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | trans | -61.5 | 133.9 | 145 | -67.8 | -174.3 | 158.7 | 161 | -3.6 | 109.2 | E1562 R1585 I1589 C2014 | E1562-R1587 HydrophobicContact CB-CB 4.43Å; E1562-R1587 HydrophobicContact CG-CB 4.38Å; E1562-R1587 WeakPolarHBondContact OE1-CA 3.44Å; E1562-R1587 WeakPolarHBondContact OE1-CB 3.31Å; E1562-R1587 VanDerWaalsContact OE2-CD 3.25Å; E1562-R1587 WeakPolarHBondContact OE2-CD 3.45Å; E1562-R1587 VanDerWaalsContact OE2-CG 3.25Å; E1562-R1587 WeakPolarHBondContact OE2-CG 3.16Å; E1562-R1587 IonicContact OE2-NE 2.83Å; E1562-R1587 PolarHBondContact OE2-NE 3.13Å; R1585-R1587 PolarHBondContact O-N 3.14Å; R1587-I1589 PolarHBondContact O-N 3.37Å; R1587-C2014 PolarHBondContact NH1-SG 2.95Å | ||
| 1588 | Y | 67.7 | Low | 55.5 | Low | 36 Ų | 36 | 53.4 Ų | 53.4 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | trans | -73.7 | 123.6 | 179.6 | -176.7 | -98.9 | 0 | 0 | 0 | 111.6 | L1559 C1561 E1562 V1568 V1573 L1575 C1590 | L1559-Y1588 HydrophobicContact CB-CD1 3.59Å; L1559-Y1588 HydrophobicContact CB-CD2 4.37Å; L1559-Y1588 HydrophobicContact CB-CE1 3.7Å; L1559-Y1588 HydrophobicContact CB-CE2 4.46Å; L1559-Y1588 HydrophobicContact CB-CG 3.96Å; L1559-Y1588 HydrophobicContact CD1-CD2 3.91Å; L1559-Y1588 HydrophobicContact CD1-CE1 4.27Å; L1559-Y1588 HydrophobicContact CD1-CE2 3.64Å; L1559-Y1588 HydrophobicContact CD1-CG 4.36Å; C1561-Y1588 CarbonylContact C-O 3.56Å; C1561-Y1588 WeakPolarHBondContact CA-O 3.35Å; E1562-Y1588 PolarHBondContact N-O 2.74Å; E1562-Y1588 PolarHBondContact OE1-N 3.48Å; V1568-Y1588 HydrophobicContact CG2-CE1 3.52Å; V1573-Y1588 VanDerWaalsContact CG2-OH 3.31Å; V1573-Y1588 WeakPolarHBondContact CG2-OH 3.21Å; L1575-Y1588 HydrophobicContact CD2-CD2 4.38Å; L1575-Y1588 HydrophobicContact CD2-CE2 4.21Å; Y1588-C1590 HydrophobicContact CE1-CB 3.88Å; Y1588-C1590 WeakPolarHBondContact OH-CA 3.16Å | ||
| 1589 | I | 68.4 | Low | 57.1 | Low | 15 Ų | 15 | 51.5 Ų | 51.5 | 8% | 0.077 | 25% | 0.247 | C | C | . | . | trans | -127.6 | 119.5 | -178.3 | -65.1 | 177.1 | 0 | 0 | 0 | 107.8 | L1563 R1587 C1593 S1596 | L1563-I1589 HydrophobicContact CD1-CD1 3.72Å; L1563-I1589 HydrophobicContact CD1-CG1 3.87Å; L1563-I1589 HydrophobicContact CD1-CG2 4.19Å; L1563-I1589 HydrophobicContact CG-CD1 4.41Å; L1563-I1589 HydrophobicContact CG-CG1 4.24Å; R1587-I1589 PolarHBondContact O-N 3.37Å; I1589-C1593 HydrophobicContact CG2-CB 3.82Å; I1589-C1593 WeakPolarHBondContact CG2-O 3.41Å; I1589-S1596 WeakPolarHBondContact CD1-O 3.22Å | ||
| 1590 | C | 74.5 | Confident | 58.7 | Low | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -78.6 | 159.7 | -178.9 | 73.8 | 0 | 0 | 0 | 0 | 112.3 | C1561 V1568 Y1588 R1592 C1593 E1594 | C1561-C1590 HydrophobicContact CB-CB 4.04Å; V1568-C1590 HydrophobicContact CG1-CB 3.89Å; V1568-C1590 HydrophobicContact CG2-CB 4.26Å; Y1588-C1590 HydrophobicContact CE1-CB 3.88Å; Y1588-C1590 WeakPolarHBondContact OH-CA 3.16Å; C1590-R1592 PolarHBondContact O-N 3.07Å; C1590-C1593 CarbonylContact O-C 3.53Å; C1590-C1593 WeakPolarHBondContact O-CA 3.4Å; C1590-C1593 PolarHBondContact O-N 3.04Å; C1590-E1594 PolarHBondContact O-N 3.11Å | ||
| 1591 | P | 68.7 | Low | 60.5 | Low | 43 Ų | 43 | 42.3 Ų | 42.3 | 28% | 0.279 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -54.4 | -28.9 | -177.4 | -30.8 | 37.7 | 0 | 0 | 0 | 115.6 | R1425 V1573 C1593 E1594 | R1425-P1591 PolarHBondContact NH2-O 3.5Å; V1573-P1591 HydrophobicContact CB-CG 4.44Å; V1573-P1591 HydrophobicContact CG1-CG 3.97Å; P1591-C1593 PolarHBondContact O-N 2.95Å; P1591-E1594 WeakPolarHBondContact O-CB 3.4Å; P1591-E1594 PolarHBondContact O-N 3.45Å |
| 1592 | R | 72.5 | Confident | 62.2 | Low | 21 Ų | 21 | 44.6 Ų | 44.6 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -64.3 | -30.9 | 173.8 | -72.5 | 174.8 | 170 | 176.3 | -8.4 | 112.6 | R1425 L1442 Y1486 I1548 C1590 | R1425-R1592 PolarHBondContact NH2-O 3.47Å; L1442-R1592 HydrophobicContact CD1-CB 4.36Å; L1442-R1592 HydrophobicContact CD1-CG 4.46Å; L1442-R1592 HydrophobicContact CD2-CG 4.43Å; L1442-R1592 VanDerWaalsContact CD2-NE 3.31Å; Y1486-R1592 HydrophobicContact CD1-CG 4.23Å; Y1486-R1592 HydrophobicContact CE1-CB 3.97Å; Y1486-R1592 HydrophobicContact CE1-CG 3.9Å; Y1486-R1592 PolarHBondContact OH-O 3.48Å; I1548-R1592 HydrophobicContact CG2-CG 4.17Å; C1590-R1592 PolarHBondContact O-N 3.07Å |
| 1593 | C | 75.4 | Confident | 64.2 | Low | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -106.6 | 14.5 | -179.5 | -57 | 0 | 0 | 0 | 0 | 113 | R1434 L1563 I1589 C1590 P1591 C1595 S1596 | R1434-C1593 PolarHBondContact NH1-SG 3.33Å; R1434-C1593 VanDerWaalsContact NH1-SG 3.36Å; L1563-C1593 HydrophobicContact CB-CB 4.44Å; L1563-C1593 HydrophobicContact CD1-CB 4.38Å; I1589-C1593 HydrophobicContact CG2-CB 3.82Å; I1589-C1593 WeakPolarHBondContact CG2-O 3.41Å; C1590-C1593 CarbonylContact O-C 3.53Å; C1590-C1593 WeakPolarHBondContact O-CA 3.4Å; C1590-C1593 PolarHBondContact O-N 3.04Å; P1591-C1593 PolarHBondContact O-N 2.95Å; C1593-C1595 VanDerWaalsContact C-N 3.27Å; C1593-C1595 PolarHBondContact O-N 3.34Å; C1593-S1596 WeakPolarHBondContact O-CA 3.36Å; C1593-S1596 WeakPolarHBondContact O-CB 3.29Å; C1593-S1596 PolarHBondContact O-N 3.01Å; C1593-S1596 PolarHBondContact O-OG 2.92Å |
| 1594 | E | 65.4 | Low | 65.8 | Low | 26 Ų | 26 | 41.7 Ų | 41.7 | 12% | 0.121 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -74.3 | -13.3 | -169.7 | -174.3 | 154.1 | -133.6 | 0 | 0 | 115 | R1420 C1590 P1591 S1596 L1597 | R1420-E1594 WeakPolarHBondContact CD-OE1 3.19Å; R1420-E1594 IonicContact CZ-OE1 2.71Å; R1420-E1594 IonicContact NE-OE1 2.78Å; R1420-E1594 IonicContact NH1-OE1 2.9Å; R1420-E1594 PolarHBondContact NH1-OE1 3.32Å; C1590-E1594 PolarHBondContact O-N 3.11Å; P1591-E1594 WeakPolarHBondContact O-CB 3.4Å; P1591-E1594 PolarHBondContact O-N 3.45Å; E1594-S1596 PolarHBondContact O-N 3.26Å; E1594-L1597 HydrophobicContact CG-CD1 4Å; E1594-L1597 WeakPolarHBondContact O-CD1 3.46Å |
| 1595 | C | 63.4 | Low | 67.6 | Low | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -57.3 | -1 | 156.4 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | R1434 C1593 R1598 | R1434-C1595 VanDerWaalsContact CD-SG 3.55Å; R1434-C1595 VanDerWaalsContact CG-SG 3.59Å; C1593-C1595 VanDerWaalsContact C-N 3.27Å; C1593-C1595 PolarHBondContact O-N 3.34Å; C1595-R1598 PolarHBondContact O-NH1 3.36Å; C1595-R1598 PolarHBondContact O-NH2 3.44Å |
| 1596 | S | 61.9 | Low | 69.2 | Low | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -103.4 | 25.8 | -178.5 | -51.5 | 0 | 0 | 0 | 0 | 116.7 | R1434 L1563 I1589 C1593 E1594 R1598 | R1434-S1596 PolarHBondContact NH2-OG 3.04Å; L1563-S1596 WeakPolarHBondContact CD1-OG 3.44Å; I1589-S1596 WeakPolarHBondContact CD1-O 3.22Å; C1593-S1596 WeakPolarHBondContact O-CA 3.36Å; C1593-S1596 WeakPolarHBondContact O-CB 3.29Å; C1593-S1596 PolarHBondContact O-N 3.01Å; C1593-S1596 PolarHBondContact O-OG 2.92Å; E1594-S1596 PolarHBondContact O-N 3.26Å; S1596-R1598 VanDerWaalsContact C-CZ 3.47Å; S1596-R1598 VanDerWaalsContact C-NH1 3.34Å; S1596-R1598 VanDerWaalsContact CA-NH1 3.27Å; S1596-R1598 WeakPolarHBondContact O-CG 3.4Å; S1596-R1598 PolarHBondContact O-NE 2.77Å |
| 1597 | L | 60.6 | Low | 70.7 | Confident | 31 Ų | 31 | 32 Ų | 32 | 16% | 0.162 | 15% | 0.15 | C | C | . | . | trans | -77.3 | 142.7 | 167 | -89.5 | 86.6 | 0 | 0 | 0 | 112.1 | R1420 E1594 | R1420-L1597 HydrophobicContact CG-CD1 3.94Å; R1420-L1597 HydrophobicContact CG-CD2 3.42Å; R1420-L1597 VanDerWaalsContact CG-CD2 3.42Å; R1420-L1597 HydrophobicContact CG-CG 4.32Å; E1594-L1597 HydrophobicContact CG-CD1 4Å; E1594-L1597 WeakPolarHBondContact O-CD1 3.46Å | ||
| 1598 | R | 68.6 | Low | 71.6 | Confident | 44 Ų | 44 | 28.6 Ų | 28.6 | 17% | 0.166 | 14% | 0.138 | C | C | . | . | trans | -133.2 | 90.6 | -162.2 | -53.1 | -57.3 | 171.9 | -138.2 | 27.3 | 112.1 | C1595 S1596 L2015 L2016 E2017 H2019 | C1595-R1598 PolarHBondContact O-NH1 3.36Å; C1595-R1598 PolarHBondContact O-NH2 3.44Å; S1596-R1598 VanDerWaalsContact C-CZ 3.47Å; S1596-R1598 VanDerWaalsContact C-NH1 3.34Å; S1596-R1598 VanDerWaalsContact CA-NH1 3.27Å; S1596-R1598 WeakPolarHBondContact O-CG 3.4Å; S1596-R1598 PolarHBondContact O-NE 2.77Å; R1598-L2015 PolarHBondContact NH2-O 3.2Å; R1598-L2016 WeakPolarHBondContact CD-O 3.05Å; R1598-L2016 PolarHBondContact NE-O 2.87Å; R1598-E2017 VanDerWaalsContact CD-CA 3.45Å; R1598-E2017 VanDerWaalsContact CD-O 3.31Å; R1598-E2017 WeakPolarHBondContact CD-O 3.36Å; R1598-E2017 VanDerWaalsContact NH1-CB 3.33Å; R1598-H2019 HydrophobicContact CB-CB 4.24Å | ||
| 1599 | P | 70.5 | Confident | 71.8 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.019 | 15% | 0.145 | C | C | . | . | trans | -63.5 | 157.9 | 165.6 | 27.4 | -33.3 | 0 | 0 | 0 | 110.5 | L1417 F1418 V1604 V2018 H2019 | L1417-P1599 HydrophobicContact CB-CB 4.45Å; L1417-P1599 HydrophobicContact CD2-CB 4.26Å; F1418-P1599 HydrophobicContact CD1-CG 3.91Å; F1418-P1599 HydrophobicContact CD2-CG 4.27Å; F1418-P1599 HydrophobicContact CE1-CG 3.47Å; F1418-P1599 VanDerWaalsContact CE1-CG 3.47Å; F1418-P1599 HydrophobicContact CE2-CG 3.86Å; F1418-P1599 HydrophobicContact CG-CG 4.29Å; F1418-P1599 HydrophobicContact CZ-CG 3.45Å; F1418-P1599 VanDerWaalsContact CZ-CG 3.45Å; P1599-V1604 HydrophobicContact CB-CG2 4.05Å; P1599-V1604 HydrophobicContact CG-CG2 3.69Å; P1599-V2018 CarbonylContact O-C 3.42Å; P1599-V2018 VanDerWaalsContact O-CA 3.29Å; P1599-V2018 WeakPolarHBondContact O-CA 3.48Å; P1599-V2018 WeakPolarHBondContact O-CB 2.98Å; P1599-H2019 PolarHBondContact O-N 3.41Å | ||
| 1600 | D | 72.7 | Confident | 72.1 | Confident | 34 Ų | 34 | 31.8 Ų | 31.8 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -67.8 | 138.6 | -179.7 | -165.4 | -73.7 | 0 | 0 | 0 | 110.6 | K1602 Q1603 V1604 H2019 | D1600-K1602 PolarHBondContact O-N 2.94Å; D1600-K1602 VanDerWaalsContact O-N 3.12Å; D1600-K1602 WeakPolarHBondContact OD1-CB 3.25Å; D1600-K1602 PolarHBondContact OD1-N 2.98Å; D1600-Q1603 HydrophobicContact CB-CB 4.41Å; D1600-Q1603 HydrophobicContact CB-CG 4.02Å; D1600-Q1603 WeakPolarHBondContact O-CA 3.27Å; D1600-Q1603 WeakPolarHBondContact O-CB 3.46Å; D1600-Q1603 PolarHBondContact O-N 3.3Å; D1600-V1604 PolarHBondContact O-N 3.32Å; D1600-V1604 VanDerWaalsContact O-N 3.13Å; D1600-H2019 IonicContact OD2-ND1 3.36Å; D1600-H2019 PolarHBondContact OD2-ND1 2.98Å |
| 1601 | L | 78.4 | Confident | 71.9 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.3 | -33.2 | 178.1 | 175.1 | 63.6 | 0 | 0 | 0 | 111.4 | Q1603 V1604 L1605 A1656 I1660 V2018 H2019 L2020 | L1601-Q1603 VanDerWaalsContact C-N 3.31Å; L1601-Q1603 PolarHBondContact O-N 3.3Å; L1601-V1604 PolarHBondContact O-N 2.93Å; L1601-L1605 HydrophobicContact CD1-CD1 3.96Å; L1601-L1605 HydrophobicContact CD1-CD2 4.2Å; L1601-L1605 HydrophobicContact CD1-CG 3.64Å; L1601-L1605 HydrophobicContact CD2-CD1 4.06Å; L1601-L1605 HydrophobicContact CG-CD1 3.72Å; L1601-L1605 HydrophobicContact CG-CG 3.91Å; L1601-L1605 WeakPolarHBondContact O-CB 3.22Å; L1601-L1605 WeakPolarHBondContact O-CG 3.4Å; L1601-L1605 PolarHBondContact O-N 2.92Å; L1601-A1656 HydrophobicContact CD1-CB 3.89Å; L1601-A1656 HydrophobicContact CD2-CB 4.11Å; L1601-I1660 HydrophobicContact CD2-CD1 3.8Å; L1601-V2018 HydrophobicContact CB-CB 4.23Å; L1601-V2018 HydrophobicContact CB-CG2 3.9Å; L1601-V2018 HydrophobicContact CD1-CG2 4.06Å; L1601-V2018 HydrophobicContact CG-CG2 4.47Å; L1601-H2019 PolarHBondContact N-O 2.76Å; L1601-L2020 HydrophobicContact CB-CD2 3.75Å; L1601-L2020 HydrophobicContact CD2-CD2 3.46Å; L1601-L2020 VanDerWaalsContact CD2-CD2 3.46Å; L1601-L2020 HydrophobicContact CG-CD2 4.21Å |
| 1602 | K | 73.6 | Confident | 71.9 | Confident | 135 Ų | 135 | 32.1 Ų | 32.1 | 59% | 0.587 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -65.1 | -34.3 | 174.5 | -174.3 | 169.8 | -178.4 | 173.1 | 0 | 112.4 | D1600 V1604 N1606 | D1600-K1602 PolarHBondContact O-N 2.94Å; D1600-K1602 VanDerWaalsContact O-N 3.12Å; D1600-K1602 WeakPolarHBondContact OD1-CB 3.25Å; D1600-K1602 PolarHBondContact OD1-N 2.98Å; K1602-V1604 VanDerWaalsContact C-N 3.34Å; K1602-N1606 WeakPolarHBondContact O-CB 3.17Å; K1602-N1606 VanDerWaalsContact O-CG 3.22Å; K1602-N1606 PolarHBondContact O-N 3.34Å; K1602-N1606 PolarHBondContact O-OD1 3.34Å; K1602-N1606 VanDerWaalsContact O-OD1 3.05Å |
| 1603 | Q | 78.1 | Confident | 71.5 | Confident | 81 Ų | 81 | 35.2 Ų | 35.2 | 38% | 0.379 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -68.1 | -35.7 | 175.3 | -65.4 | 175.3 | -62.6 | 0 | 0 | 111.3 | D1600 L1601 F1607 | D1600-Q1603 HydrophobicContact CB-CB 4.41Å; D1600-Q1603 HydrophobicContact CB-CG 4.02Å; D1600-Q1603 WeakPolarHBondContact O-CA 3.27Å; D1600-Q1603 WeakPolarHBondContact O-CB 3.46Å; D1600-Q1603 PolarHBondContact O-N 3.3Å; L1601-Q1603 VanDerWaalsContact C-N 3.31Å; L1601-Q1603 PolarHBondContact O-N 3.3Å; Q1603-F1607 WeakPolarHBondContact O-CB 3.34Å; Q1603-F1607 PolarHBondContact O-N 3.47Å; Q1603-F1607 VanDerWaalsContact O-N 3.09Å |
| 1604 | V | 76.2 | Confident | 70.8 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -80.9 | -38 | 179.3 | -167.1 | 0 | 0 | 0 | 0 | 112.4 | F1418 P1599 D1600 L1601 K1602 F1607 V1608 V1649 C1653 V2018 | F1418-V1604 HydrophobicContact CE2-CG2 4.34Å; F1418-V1604 HydrophobicContact CZ-CG1 4.38Å; F1418-V1604 HydrophobicContact CZ-CG2 3.97Å; P1599-V1604 HydrophobicContact CB-CG2 4.05Å; P1599-V1604 HydrophobicContact CG-CG2 3.69Å; D1600-V1604 PolarHBondContact O-N 3.32Å; D1600-V1604 VanDerWaalsContact O-N 3.13Å; L1601-V1604 PolarHBondContact O-N 2.93Å; K1602-V1604 VanDerWaalsContact C-N 3.34Å; V1604-F1607 CarbonylContact O-C 3.49Å; V1604-F1607 WeakPolarHBondContact O-CB 3.41Å; V1604-F1607 PolarHBondContact O-N 3.05Å; V1604-V1608 WeakPolarHBondContact O-CG2 3.24Å; V1604-V1608 PolarHBondContact O-N 3.23Å; V1604-V1649 HydrophobicContact CG1-CG1 3.64Å; V1604-C1653 VanDerWaalsContact CG1-SG 3.6Å; V1604-V2018 HydrophobicContact CB-CG1 4.19Å; V1604-V2018 HydrophobicContact CG2-CG1 3.67Å |
| 1605 | L | 76.2 | Confident | 70.1 | Confident | 25 Ų | 25 | 38.9 Ų | 38.9 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.8 | -40.2 | 171.5 | -72.8 | 175.6 | 0 | 0 | 0 | 111.8 | L1601 F1607 V1608 S1609 C1653 I1657 L1702 | L1601-L1605 HydrophobicContact CD1-CD1 3.96Å; L1601-L1605 HydrophobicContact CD1-CD2 4.2Å; L1601-L1605 HydrophobicContact CD1-CG 3.64Å; L1601-L1605 HydrophobicContact CD2-CD1 4.06Å; L1601-L1605 HydrophobicContact CG-CD1 3.72Å; L1601-L1605 HydrophobicContact CG-CG 3.91Å; L1601-L1605 WeakPolarHBondContact O-CB 3.22Å; L1601-L1605 WeakPolarHBondContact O-CG 3.4Å; L1601-L1605 PolarHBondContact O-N 2.92Å; L1605-F1607 VanDerWaalsContact C-N 3.28Å; L1605-F1607 PolarHBondContact O-N 2.79Å; L1605-V1608 PolarHBondContact O-N 3.43Å; L1605-S1609 VanDerWaalsContact O-CB 3.27Å; L1605-S1609 WeakPolarHBondContact O-CB 3.2Å; L1605-S1609 PolarHBondContact O-N 3.23Å; L1605-C1653 HydrophobicContact CD2-CB 4.23Å; L1605-I1657 HydrophobicContact CD2-CD1 4.37Å; L1605-L1702 HydrophobicContact CD2-CD2 4.33Å |
| 1606 | N | 76 | Confident | 69.1 | Low | 83 Ų | 83 | 43 Ų | 43 | 44% | 0.444 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.5 | -42.3 | 170.2 | -81.7 | 36.2 | 0 | 0 | 0 | 110.7 | K1602 S1609 E1610 | K1602-N1606 WeakPolarHBondContact O-CB 3.17Å; K1602-N1606 VanDerWaalsContact O-CG 3.22Å; K1602-N1606 PolarHBondContact O-N 3.34Å; K1602-N1606 PolarHBondContact O-OD1 3.34Å; K1602-N1606 VanDerWaalsContact O-OD1 3.05Å; N1606-S1609 PolarHBondContact O-N 3.27Å; N1606-E1610 WeakPolarHBondContact O-CB 3.31Å; N1606-E1610 VanDerWaalsContact O-CG 3.28Å; N1606-E1610 WeakPolarHBondContact O-CG 3.09Å; N1606-E1610 PolarHBondContact O-N 3.43Å |
| 1607 | F | 79.1 | Confident | 67.5 | Low | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 175.8 | 174 | -84.6 | 0 | 0 | 0 | 112.8 | F1410 K1413 L1414 Q1603 V1604 L1605 S1609 E1610 L1611 F1646 V1649 | F1410-F1607 HydrophobicContact CB-CE2 3.9Å; F1410-F1607 HydrophobicContact CB-CZ 3.81Å; F1410-F1607 AromaticContact CD1-CD2 3.98Å; F1410-F1607 HydrophobicContact CD1-CD2 3.98Å; F1410-F1607 HydrophobicContact CD1-CE1 4.22Å; F1410-F1607 AromaticContact CD1-CE2 3.32Å; F1410-F1607 HydrophobicContact CD1-CE2 3.32Å; F1410-F1607 AromaticContact CD1-CZ 3.45Å; F1410-F1607 HydrophobicContact CD1-CZ 3.45Å; F1410-F1607 VanDerWaalsContact CD1-CZ 3.45Å; F1410-F1607 HydrophobicContact CE1-CD2 4.35Å; F1410-F1607 HydrophobicContact CE1-CE2 4.11Å; F1410-F1607 HydrophobicContact CE1-CZ 4.45Å; F1410-F1607 AromaticContact CG-CE2 3.91Å; F1410-F1607 HydrophobicContact CG-CE2 3.91Å; F1410-F1607 HydrophobicContact CG-CZ 4.07Å; F1410-F1607 WeakPolarHBondContact O-CE2 3.28Å; K1413-F1607 HydrophobicContact CB-CD2 4.42Å; K1413-F1607 HydrophobicContact CB-CE2 4.09Å; K1413-F1607 HydrophobicContact CD-CD2 3.88Å; K1413-F1607 HydrophobicContact CD-CE2 4.23Å; K1413-F1607 HydrophobicContact CG-CD2 3.95Å; K1413-F1607 HydrophobicContact CG-CE2 4.13Å; L1414-F1607 HydrophobicContact CD1-CE1 3.81Å; L1414-F1607 HydrophobicContact CD1-CZ 3.65Å; L1414-F1607 HydrophobicContact CD2-CD1 3.75Å; L1414-F1607 HydrophobicContact CD2-CD2 4.22Å; L1414-F1607 HydrophobicContact CD2-CE1 3.49Å; L1414-F1607 VanDerWaalsContact CD2-CE1 3.49Å; L1414-F1607 HydrophobicContact CD2-CE2 3.95Å; L1414-F1607 HydrophobicContact CD2-CG 4.12Å; L1414-F1607 HydrophobicContact CD2-CZ 3.59Å; L1414-F1607 HydrophobicContact CG-CD1 4.39Å; L1414-F1607 HydrophobicContact CG-CE1 3.67Å; L1414-F1607 HydrophobicContact CG-CE2 3.77Å; L1414-F1607 HydrophobicContact CG-CZ 3.3Å; Q1603-F1607 WeakPolarHBondContact O-CB 3.34Å; Q1603-F1607 PolarHBondContact O-N 3.47Å; Q1603-F1607 VanDerWaalsContact O-N 3.09Å; V1604-F1607 CarbonylContact O-C 3.49Å; V1604-F1607 WeakPolarHBondContact O-CB 3.41Å; V1604-F1607 PolarHBondContact O-N 3.05Å; L1605-F1607 VanDerWaalsContact C-N 3.28Å; L1605-F1607 PolarHBondContact O-N 2.79Å; F1607-S1609 VanDerWaalsContact C-N 3.34Å; F1607-E1610 PolarHBondContact O-N 3.19Å; F1607-L1611 HydrophobicContact CE1-CD1 4.15Å; F1607-L1611 HydrophobicContact CZ-CD1 4.22Å; F1607-L1611 VanDerWaalsContact O-CB 3.24Å; F1607-L1611 WeakPolarHBondContact O-CB 3.5Å; F1607-L1611 PolarHBondContact O-N 2.94Å; F1607-F1646 HydrophobicContact CZ-CE1 4.46Å; F1607-V1649 HydrophobicContact CD1-CG1 4.31Å; F1607-V1649 HydrophobicContact CE1-CG1 4.45Å |
| 1608 | V | 76.2 | Confident | 66 | Low | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.5 | -33.5 | 177.5 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | V1604 L1605 L1611 N1612 V1649 L1702 | V1604-V1608 WeakPolarHBondContact O-CG2 3.24Å; V1604-V1608 PolarHBondContact O-N 3.23Å; L1605-V1608 PolarHBondContact O-N 3.43Å; V1608-L1611 WeakPolarHBondContact O-CB 3.38Å; V1608-L1611 PolarHBondContact O-N 2.67Å; V1608-N1612 WeakPolarHBondContact O-CB 2.96Å; V1608-N1612 PolarHBondContact O-N 2.97Å; V1608-N1612 PolarHBondContact O-OD1 2.75Å; V1608-V1649 HydrophobicContact CG2-CG1 3.79Å; V1608-L1702 HydrophobicContact CG1-CD2 3.99Å |
| 1609 | S | 71 | Confident | 64 | Low | 41 Ų | 41 | 57.1 Ų | 57.1 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.7 | -45.5 | 171.8 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | L1605 N1606 F1607 L1611 N1612 N1613 | L1605-S1609 VanDerWaalsContact O-CB 3.27Å; L1605-S1609 WeakPolarHBondContact O-CB 3.2Å; L1605-S1609 PolarHBondContact O-N 3.23Å; N1606-S1609 PolarHBondContact O-N 3.27Å; F1607-S1609 VanDerWaalsContact C-N 3.34Å; S1609-L1611 VanDerWaalsContact C-N 3.27Å; S1609-L1611 PolarHBondContact O-N 3.4Å; S1609-N1612 PolarHBondContact O-N 2.88Å; S1609-N1613 WeakPolarHBondContact O-CB 3.38Å; S1609-N1613 PolarHBondContact O-N 3.49Å; S1609-N1613 PolarHBondContact O-ND2 2.76Å; S1609-N1613 VanDerWaalsContact O-ND2 3.1Å; S1609-N1613 PolarHBondContact OG-ND2 3.4Å |
| 1610 | E | 74.8 | Confident | 61.9 | Low | 77 Ų | 77 | 64.1 Ų | 64.1 | 36% | 0.36 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.9 | -39.8 | 171.5 | -75 | 176.4 | -129 | 0 | 0 | 111.9 | F1410 K1413 N1606 F1607 L1614 | F1410-E1610 HydrophobicContact CE1-CB 3.71Å; F1410-E1610 HydrophobicContact CZ-CB 3.79Å; K1413-E1610 IonicContact NZ-OE1 2.76Å; K1413-E1610 PolarHBondContact NZ-OE1 2.76Å; K1413-E1610 IonicContact NZ-OE2 3.26Å; K1413-E1610 PolarHBondContact NZ-OE2 3.19Å; N1606-E1610 WeakPolarHBondContact O-CB 3.31Å; N1606-E1610 VanDerWaalsContact O-CG 3.28Å; N1606-E1610 WeakPolarHBondContact O-CG 3.09Å; N1606-E1610 PolarHBondContact O-N 3.43Å; F1607-E1610 PolarHBondContact O-N 3.19Å; E1610-L1614 PolarHBondContact O-N 2.82Å |
| 1611 | L | 70.5 | Confident | 59.9 | Low | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.037 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.1 | -47 | 178.9 | -177.6 | 105.4 | 0 | 0 | 0 | 110.3 | F1410 F1607 V1608 S1609 F1615 F1640 F1646 | F1410-L1611 HydrophobicContact CB-CD1 4.33Å; F1410-L1611 HydrophobicContact CD1-CB 3.94Å; F1410-L1611 HydrophobicContact CD1-CD1 3.68Å; F1410-L1611 HydrophobicContact CD1-CG 4.41Å; F1410-L1611 HydrophobicContact CE1-CB 3.86Å; F1410-L1611 HydrophobicContact CE1-CD1 4.42Å; F1410-L1611 HydrophobicContact CG-CD1 4.27Å; F1607-L1611 HydrophobicContact CE1-CD1 4.15Å; F1607-L1611 HydrophobicContact CZ-CD1 4.22Å; F1607-L1611 VanDerWaalsContact O-CB 3.24Å; F1607-L1611 WeakPolarHBondContact O-CB 3.5Å; F1607-L1611 PolarHBondContact O-N 2.94Å; V1608-L1611 WeakPolarHBondContact O-CB 3.38Å; V1608-L1611 PolarHBondContact O-N 2.67Å; S1609-L1611 VanDerWaalsContact C-N 3.27Å; S1609-L1611 PolarHBondContact O-N 3.4Å; L1611-F1615 WeakPolarHBondContact O-CD2 3.28Å; L1611-F1615 WeakPolarHBondContact O-CE2 3.45Å; L1611-F1640 HydrophobicContact CD1-CE1 3.99Å; L1611-F1640 HydrophobicContact CD2-CD1 4.01Å; L1611-F1640 HydrophobicContact CD2-CE1 3.53Å; L1611-F1640 HydrophobicContact CD2-CE2 4.13Å; L1611-F1640 HydrophobicContact CD2-CZ 3.56Å; L1611-F1640 HydrophobicContact CG-CD1 4.43Å; L1611-F1640 HydrophobicContact CG-CE1 3.58Å; L1611-F1640 HydrophobicContact CG-CZ 3.72Å; L1611-F1646 HydrophobicContact CD1-CD1 4.25Å; L1611-F1646 HydrophobicContact CD1-CE1 4.38Å; L1611-F1646 HydrophobicContact CD1-CG 4.44Å |
| 1612 | N | 68.2 | Low | 57.5 | Low | 43 Ų | 43 | 74.8 Ų | 74.8 | 23% | 0.23 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 176.6 | -68.7 | 2.1 | 0 | 0 | 0 | 111.7 | V1608 S1609 L1614 F1615 S1616 | V1608-N1612 WeakPolarHBondContact O-CB 2.96Å; V1608-N1612 PolarHBondContact O-N 2.97Å; V1608-N1612 PolarHBondContact O-OD1 2.75Å; S1609-N1612 PolarHBondContact O-N 2.88Å; N1612-L1614 PolarHBondContact O-N 3.3Å; N1612-F1615 PolarHBondContact O-N 2.94Å; N1612-S1616 PolarHBondContact O-N 3.48Å |
| 1613 | N | 64.8 | Low | 55.5 | Low | 86 Ų | 86 | 77.2 Ų | 77.2 | 46% | 0.46 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.7 | -27.6 | -177.6 | -74.6 | -22.5 | 0 | 0 | 0 | 113 | S1609 F1615 S1616 C1617 | S1609-N1613 WeakPolarHBondContact O-CB 3.38Å; S1609-N1613 PolarHBondContact O-N 3.49Å; S1609-N1613 PolarHBondContact O-ND2 2.76Å; S1609-N1613 VanDerWaalsContact O-ND2 3.1Å; S1609-N1613 PolarHBondContact OG-ND2 3.4Å; N1613-F1615 PolarHBondContact O-N 3.38Å; N1613-F1615 VanDerWaalsContact O-N 3.08Å; N1613-S1616 PolarHBondContact O-N 3.05Å; N1613-C1617 PolarHBondContact O-SG 2.85Å |
| 1614 | L | 60.2 | Low | 53.2 | Low | 46 Ų | 46 | 79.3 Ų | 79.3 | 24% | 0.241 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57.3 | -19.4 | 171.8 | -95.5 | 166.5 | 0 | 0 | 0 | 113.5 | D1406 F1410 E1610 N1612 | D1406-L1614 HydrophobicContact CB-CD1 3.93Å; D1406-L1614 HydrophobicContact CB-CD2 4.16Å; F1410-L1614 HydrophobicContact CD2-CD1 4.02Å; F1410-L1614 HydrophobicContact CE1-CD1 4.48Å; F1410-L1614 HydrophobicContact CE2-CD1 3.4Å; F1410-L1614 HydrophobicContact CZ-CD1 3.67Å; E1610-L1614 PolarHBondContact O-N 2.82Å; N1612-L1614 PolarHBondContact O-N 3.3Å |
| 1615 | F | 51.6 | Low | 50.9 | Low | 59 Ų | 59 | 86.9 Ų | 86.9 | 26% | 0.259 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -106.7 | -20 | -177.7 | -57.2 | -75.1 | 0 | 0 | 0 | 113.2 | L1403 L1407 L1611 N1612 N1613 L1638 F1640 | L1403-F1615 HydrophobicContact CD1-CE1 3.42Å; L1403-F1615 VanDerWaalsContact CD1-CE1 3.42Å; L1403-F1615 HydrophobicContact CD1-CZ 3.5Å; L1407-F1615 HydrophobicContact CD2-CZ 4.46Å; L1611-F1615 WeakPolarHBondContact O-CD2 3.28Å; L1611-F1615 WeakPolarHBondContact O-CE2 3.45Å; N1612-F1615 PolarHBondContact O-N 2.94Å; N1613-F1615 PolarHBondContact O-N 3.38Å; N1613-F1615 VanDerWaalsContact O-N 3.08Å; F1615-L1638 HydrophobicContact CD1-CB 3.76Å; F1615-L1638 HydrophobicContact CD1-CD1 3.66Å; F1615-L1638 HydrophobicContact CD1-CD2 4.43Å; F1615-L1638 HydrophobicContact CD1-CG 4.13Å; F1615-L1638 HydrophobicContact CE1-CB 3.82Å; F1615-L1638 HydrophobicContact CE1-CD1 3.76Å; F1615-L1638 HydrophobicContact CE1-CD2 3.76Å; F1615-L1638 HydrophobicContact CE1-CG 3.97Å; F1615-L1638 HydrophobicContact CG-CB 4.36Å; F1615-L1638 HydrophobicContact CZ-CB 4.5Å; F1615-L1638 HydrophobicContact CZ-CD2 4.42Å; F1615-F1640 HydrophobicContact CD2-CE1 4.26Å; F1615-F1640 HydrophobicContact CD2-CE2 4.34Å; F1615-F1640 AromaticContact CD2-CZ 3.53Å; F1615-F1640 HydrophobicContact CD2-CZ 3.53Å; F1615-F1640 AromaticContact CE2-CE1 3.54Å; F1615-F1640 HydrophobicContact CE2-CE1 3.54Å; F1615-F1640 HydrophobicContact CE2-CE2 4.41Å; F1615-F1640 AromaticContact CE2-CZ 3.29Å; F1615-F1640 HydrophobicContact CE2-CZ 3.29Å; F1615-F1640 HydrophobicContact CZ-CE1 4.07Å; F1615-F1640 HydrophobicContact CZ-CZ 4.16Å |
| 1616 | S | 41.7 | Very low | 48.6 | Very low | 89 Ų | 89 | 92 Ų | 92 | 62% | 0.622 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -74.9 | -19.1 | 173.3 | -52.5 | 0 | 0 | 0 | 0 | 114.1 | N1612 N1613 N1618 | N1612-S1616 PolarHBondContact O-N 3.48Å; N1613-S1616 PolarHBondContact O-N 3.05Å; S1616-N1618 PolarHBondContact O-N 3.47Å |
| 1617 | C | 28 | Very low | 46.3 | Very low | 89 Ų | 89 | 92 Ų | 92 | 60% | 0.601 | 52% | 0.518 | S | S | * | . | trans | -99.1 | 65.7 | -172.5 | 51.9 | 0 | 0 | 0 | 0 | 114 | N1613 | N1613-C1617 PolarHBondContact O-SG 2.85Š| ||
| 1618 | N | 29.8 | Very low | 43.7 | Very low | 137 Ų | 137 | 99.6 Ų | 99.6 | 73% | 0.733 | 56% | 0.558 | S | S | * | * | trans | -141.1 | 51.3 | 169.3 | -114.8 | -19.8 | 0 | 0 | 0 | 111.8 | S1616 | S1616-N1618 PolarHBondContact O-N 3.47Š| ||
| 1619 | N | 26 | Very low | 41.5 | Very low | 145 Ų | 145 | 105 Ų | 105 | 78% | 0.775 | 60% | 0.596 | S | S | * | * | trans | -140.7 | 63.9 | -179.8 | -91.4 | -23.5 | 0 | 0 | 0 | 111.3 | ||||
| 1620 | D | 26.9 | Very low | 39.3 | Very low | 150 Ų | 150 | 110 Ų | 110 | 80% | 0.802 | 62% | 0.62 | S | S | * | * | trans | -143.5 | 79.3 | 170.4 | -121.1 | -33.7 | 0 | 0 | 0 | 111.4 | ||||
| 1621 | S | 29.9 | Very low | 37 | Very low | 122 Ų | 122 | 113.5 Ų | 113.5 | 85% | 0.853 | 64% | 0.641 | S | S | * | * | trans | -158.4 | 76.3 | 174.5 | -73.7 | 0 | 0 | 0 | 0 | 109.8 | H1623 | S1621-H1623 PolarHBondContact O-N 3.14Š| ||
| 1622 | N | 28.8 | Very low | 34.9 | Very low | 147 Ų | 147 | 120.4 Ų | 120.4 | 79% | 0.786 | 68% | 0.678 | S | S | * | * | trans | -72 | 111.1 | 176.9 | -85.5 | -73 | 0 | 0 | 0 | 111.4 | ||||
| 1623 | H | 31.1 | Very low | 32.9 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.856 | 71% | 0.712 | S | S | * | * | trans | -149.6 | 142.6 | 142.7 | -119.9 | -70 | 0 | 0 | 0 | 112 | S1621 | S1621-H1623 PolarHBondContact O-N 3.14Š| ||
| 1624 | D | 30.9 | Very low | 31.1 | Very low | 125 Ų | 125 | 132 Ų | 132 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | trans | -72.6 | 131.3 | -162 | -64.4 | -76.8 | 0 | 0 | 0 | 116.4 | ||||
| 1625 | Q | 26.4 | Very low | 29.7 | Very low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | 42.2 | 133.3 | 123 | -49.1 | -177.9 | 18.9 | 0 | 0 | 118.5 | |||||
| 1626 | T | 28.4 | Very low | 28.7 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | -169.2 | 155.2 | 80.3 | 22.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1627 | A | 28 | Very low | 28.6 | Very low | 83 Ų | 83 | 143 Ų | 143 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | trans | 77 | 96.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1628 | N | 25.3 | Very low | 29.4 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | 66.4 | 96.6 | 127.7 | -57.9 | 2.4 | 0 | 0 | 0 | 120.9 | |||||
| 1629 | S | 29 | Very low | 30.4 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | -149.4 | 156.6 | 118.9 | -74 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1630 | N | 25.3 | Very low | 32 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | trans | -82 | 175.5 | 177.9 | -72.8 | -11.6 | 0 | 0 | 0 | 111.8 | ||||
| 1631 | D | 26.4 | Very low | 33.6 | Very low | 149 Ų | 149 | 122.9 Ų | 122.9 | 80% | 0.797 | 65% | 0.652 | S | S | * | * | trans | 88.5 | 139.9 | 166.8 | -49 | -27.9 | 0 | 0 | 0 | 116.4 | ||||
| 1632 | N | 26.5 | Very low | 35.5 | Very low | 152 Ų | 152 | 117.5 Ų | 117.5 | 81% | 0.813 | 61% | 0.614 | S | S | * | * | trans | 78 | 58.2 | 179.8 | -52.2 | -36.9 | 0 | 0 | 0 | 118.8 | H1634 | N1632-H1634 PolarHBondContact O-N 2.95Š| ||
| 1633 | E | 25.5 | Very low | 37.9 | Very low | 201 Ų | 201 | 110.7 Ų | 110.7 | 94% | 0.939 | 58% | 0.577 | S | S | * | * | trans | -84.7 | 46 | 155.6 | -73.3 | -164 | 127.5 | 0 | 0 | 112.5 | ||||
| 1634 | H | 27.6 | Very low | 40.2 | Very low | 171 Ų | 171 | 102 Ų | 102 | 79% | 0.792 | 54% | 0.537 | S | S | * | . | trans | -136 | 148.8 | 179.8 | -89.3 | 12 | 0 | 0 | 0 | 113.2 | N1632 | N1632-H1634 PolarHBondContact O-N 2.95Š| ||
| 1635 | E | 30.1 | Very low | 42.7 | Very low | 130 Ų | 130 | 96.3 Ų | 96.3 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | trans | 56.1 | 74.3 | 163.3 | -60.4 | -171.9 | 168.2 | 0 | 0 | 119.8 | N1307 | N1307-E1635 WeakPolarHBondContact CB-O 3.33Å; N1307-E1635 WeakPolarHBondContact ND2-CB 3.42Å; N1307-E1635 PolarHBondContact ND2-O 3.14Å; N1307-E1635 PolarHBondContact ND2-OE2 3.4Å | ||
| 1636 | R | 30.6 | Very low | 45.4 | Very low | 223 Ų | 223 | 89 Ų | 89 | 84% | 0.842 | 47% | 0.472 | S | S | * | . | trans | -94.6 | 87 | 141.6 | -75.4 | -175.4 | 178.5 | 173 | 0.5 | 109.5 | ||||
| 1637 | S | 39.3 | Very low | 47.9 | Very low | 72 Ų | 72 | 82.8 Ų | 82.8 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | trans | -124.7 | 124.5 | 174.5 | -172.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1638 | L | 45.1 | Very low | 50.5 | Low | 39 Ų | 39 | 78.8 Ų | 78.8 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | trans | -82.1 | 142.5 | -179.2 | -127.5 | 115.2 | 0 | 0 | 0 | 111 | L1304 L1305 L1403 F1615 F1640 | L1304-L1638 HydrophobicContact CG-CD2 4.49Å; L1304-L1638 WeakPolarHBondContact O-CD2 3.12Å; L1304-L1638 WeakPolarHBondContact O-CG 3.45Å; L1305-L1638 HydrophobicContact CD2-CD1 3.82Å; L1305-L1638 HydrophobicContact CD2-CD2 4.21Å; L1305-L1638 HydrophobicContact CD2-CG 4.32Å; L1403-L1638 HydrophobicContact CD1-CD2 4.37Å; L1403-L1638 HydrophobicContact CD2-CD1 4.49Å; L1403-L1638 HydrophobicContact CD2-CD2 3.62Å; F1615-L1638 HydrophobicContact CD1-CB 3.76Å; F1615-L1638 HydrophobicContact CD1-CD1 3.66Å; F1615-L1638 HydrophobicContact CD1-CD2 4.43Å; F1615-L1638 HydrophobicContact CD1-CG 4.13Å; F1615-L1638 HydrophobicContact CE1-CB 3.82Å; F1615-L1638 HydrophobicContact CE1-CD1 3.76Å; F1615-L1638 HydrophobicContact CE1-CD2 3.76Å; F1615-L1638 HydrophobicContact CE1-CG 3.97Å; F1615-L1638 HydrophobicContact CG-CB 4.36Å; F1615-L1638 HydrophobicContact CZ-CB 4.5Å; F1615-L1638 HydrophobicContact CZ-CD2 4.42Å; L1638-F1640 VanDerWaalsContact C-N 3.31Å; L1638-F1640 PolarHBondContact O-N 3.47Å | ||
| 1639 | C | 52.2 | Low | 53.3 | Low | 14 Ų | 14 | 71.2 Ų | 71.2 | 10% | 0.095 | 36% | 0.361 | C | S | . | . | trans | -84.3 | 64.9 | -159 | -146.9 | 0 | 0 | 0 | 0 | 113.6 | R1306 H1641 Q1642 | R1306-C1639 HydrophobicContact CB-CB 4.22Å; C1639-H1641 PolarHBondContact O-N 3.27Å; C1639-Q1642 HydrophobicContact CB-CG 4.4Å; C1639-Q1642 PolarHBondContact O-N 3.22Å | ||
| 1640 | F | 58.2 | Low | 55.7 | Low | 22 Ų | 22 | 67.5 Ų | 67.5 | 10% | 0.096 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -49.8 | -27.5 | 177.8 | -65.3 | -64.7 | 0 | 0 | 0 | 114.2 | L1407 L1611 F1615 L1638 Q1642 F1643 F1646 V1647 | L1407-F1640 HydrophobicContact CD2-CE1 4.44Å; L1611-F1640 HydrophobicContact CD1-CE1 3.99Å; L1611-F1640 HydrophobicContact CD2-CD1 4.01Å; L1611-F1640 HydrophobicContact CD2-CE1 3.53Å; L1611-F1640 HydrophobicContact CD2-CE2 4.13Å; L1611-F1640 HydrophobicContact CD2-CZ 3.56Å; L1611-F1640 HydrophobicContact CG-CD1 4.43Å; L1611-F1640 HydrophobicContact CG-CE1 3.58Å; L1611-F1640 HydrophobicContact CG-CZ 3.72Å; F1615-F1640 HydrophobicContact CD2-CE1 4.26Å; F1615-F1640 HydrophobicContact CD2-CE2 4.34Å; F1615-F1640 AromaticContact CD2-CZ 3.53Å; F1615-F1640 HydrophobicContact CD2-CZ 3.53Å; F1615-F1640 AromaticContact CE2-CE1 3.54Å; F1615-F1640 HydrophobicContact CE2-CE1 3.54Å; F1615-F1640 HydrophobicContact CE2-CE2 4.41Å; F1615-F1640 AromaticContact CE2-CZ 3.29Å; F1615-F1640 HydrophobicContact CE2-CZ 3.29Å; F1615-F1640 HydrophobicContact CZ-CE1 4.07Å; F1615-F1640 HydrophobicContact CZ-CZ 4.16Å; L1638-F1640 VanDerWaalsContact C-N 3.31Å; L1638-F1640 PolarHBondContact O-N 3.47Å; F1640-Q1642 PolarHBondContact O-N 3.44Å; F1640-F1643 PolarHBondContact O-N 2.68Å; F1640-F1646 HydrophobicContact CD1-CD2 4.5Å; F1640-V1647 WeakPolarHBondContact O-CG2 3.26Å |
| 1641 | H | 61.8 | Low | 58.5 | Low | 24 Ų | 24 | 60.6 Ų | 60.6 | 11% | 0.111 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -41 | -31.8 | 169.5 | -60.7 | -81.4 | 0 | 0 | 0 | 114.8 | S1501 N1502 V1503 S1504 C1639 F1643 V1647 | S1501-H1641 CarbonylContact C-O 3.51Å; S1501-H1641 CarbonylContact O-C 3.6Å; S1501-H1641 WeakPolarHBondContact O-CA 3.2Å; S1501-H1641 VanDerWaalsContact O-CB 3.27Å; S1501-H1641 WeakPolarHBondContact O-CB 3.29Å; S1501-H1641 PolarHBondContact OG-O 2.96Å; S1501-H1641 VanDerWaalsContact OG-O 3.07Å; N1502-H1641 PolarHBondContact OD1-O 3.3Å; V1503-H1641 PolarHBondContact O-CE1 3.25Å; V1503-H1641 PolarHBondContact O-ND1 3.03Å; S1504-H1641 PolarHBondContact O-CE1 2.78Å; C1639-H1641 PolarHBondContact O-N 3.27Å; H1641-F1643 VanDerWaalsContact C-N 3.3Å; H1641-F1643 PolarHBondContact O-N 3.19Å; H1641-V1647 VanDerWaalsContact CA-CG2 3.48Å |
| 1642 | Q | 68.3 | Low | 61.2 | Low | 9 Ų | 9 | 53.5 Ų | 53.5 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -76.5 | -11.5 | -179.2 | -63.9 | 170.5 | 3.5 | 0 | 0 | 114 | L1303 L1366 S1371 W1376 C1639 F1640 | L1303-Q1642 PolarHBondContact O-NE2 3.28Å; L1303-Q1642 PolarHBondContact O-OE1 2.73Å; L1366-Q1642 HydrophobicContact CD1-CB 3.86Å; L1366-Q1642 HydrophobicContact CD1-CG 3.85Å; S1371-Q1642 WeakPolarHBondContact CB-O 3.49Å; S1371-Q1642 PolarHBondContact OG-O 2.94Å; W1376-Q1642 HydrophobicContact CH2-CB 4.18Å; W1376-Q1642 HydrophobicContact CH2-CG 4.42Å; W1376-Q1642 HydrophobicContact CZ2-CB 4.1Å; C1639-Q1642 HydrophobicContact CB-CG 4.4Å; C1639-Q1642 PolarHBondContact O-N 3.22Å; F1640-Q1642 PolarHBondContact O-N 3.44Å |
| 1643 | F | 80.1 | Confident | 63.7 | Low | 5 Ų | 5 | 46.4 Ų | 46.4 | 2% | 0.022 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -118.7 | 94.9 | 179.6 | -62 | -69.9 | 0 | 0 | 0 | 110 | L1304 S1371 P1373 W1376 L1407 F1640 H1641 E1645 F1646 V1647 | L1304-F1643 HydrophobicContact CD1-CE2 4.14Å; L1304-F1643 HydrophobicContact CD1-CZ 4.11Å; S1371-F1643 WeakPolarHBondContact O-CD1 3.26Å; P1373-F1643 HydrophobicContact CB-CE1 4.32Å; P1373-F1643 HydrophobicContact CG-CD1 3.78Å; P1373-F1643 HydrophobicContact CG-CE1 3.93Å; P1373-F1643 HydrophobicContact CG-CG 4.31Å; W1376-F1643 HydrophobicContact CB-CE1 4.13Å; W1376-F1643 HydrophobicContact CB-CZ 4.27Å; W1376-F1643 AromaticContact CD1-CE1 3.6Å; W1376-F1643 AromaticContact CD2-CE1 3.89Å; W1376-F1643 HydrophobicContact CD2-CE1 3.89Å; W1376-F1643 AromaticContact CD2-CZ 3.8Å; W1376-F1643 HydrophobicContact CD2-CZ 3.8Å; W1376-F1643 HydrophobicContact CE3-CZ 4.15Å; W1376-F1643 AromaticContact CG-CE1 3.6Å; W1376-F1643 HydrophobicContact CG-CE1 3.6Å; W1376-F1643 AromaticContact CG-CZ 3.87Å; W1376-F1643 HydrophobicContact CG-CZ 3.87Å; W1376-F1643 AromaticContact NE1-CE1 3.82Å; L1407-F1643 HydrophobicContact CD1-CE2 3.96Å; L1407-F1643 HydrophobicContact CD1-CZ 4.34Å; F1640-F1643 PolarHBondContact O-N 2.68Å; H1641-F1643 VanDerWaalsContact C-N 3.3Å; H1641-F1643 PolarHBondContact O-N 3.19Å; F1643-E1645 PolarHBondContact O-N 3.35Å; F1643-F1646 HydrophobicContact CB-CB 4.44Å; F1643-F1646 HydrophobicContact CB-CD2 3.46Å; F1643-F1646 VanDerWaalsContact CB-CD2 3.46Å; F1643-F1646 HydrophobicContact CB-CE2 4.01Å; F1643-F1646 HydrophobicContact CB-CG 4.22Å; F1643-F1646 HydrophobicContact CD2-CD2 4.05Å; F1643-F1646 HydrophobicContact CD2-CE2 4.22Å; F1643-F1646 AromaticContact CG-CD2 3.93Å; F1643-F1646 HydrophobicContact CG-CD2 3.93Å; F1643-F1646 HydrophobicContact CG-CE2 4.08Å; F1643-F1646 PolarHBondContact O-N 3.4Å; F1643-V1647 PolarHBondContact O-N 3.48Å |
| 1644 | P | 79.2 | Confident | 66.3 | Low | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.5 | -32.7 | -171.6 | -28.2 | 35.1 | 0 | 0 | 0 | 114.6 | S1371 L1428 F1497 A1498 V1647 A1648 | S1371-P1644 WeakPolarHBondContact O-CD 3.4Å; L1428-P1644 HydrophobicContact CD1-CB 3.85Å; L1428-P1644 HydrophobicContact CD2-CB 3.84Å; F1497-P1644 HydrophobicContact CD1-CB 4.26Å; F1497-P1644 HydrophobicContact CE1-CB 4.12Å; A1498-P1644 HydrophobicContact CB-CG 4.18Å; P1644-V1647 PolarHBondContact O-N 2.78Å; P1644-A1648 VanDerWaalsContact O-CB 3.28Å; P1644-A1648 WeakPolarHBondContact O-CB 3.16Å; P1644-A1648 PolarHBondContact O-N 2.82Å |
| 1645 | E | 83.1 | Confident | 68.9 | Low | 6 Ų | 6 | 30.4 Ų | 30.4 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 177.4 | -67.4 | 72.9 | -162.5 | 0 | 0 | 112.9 | L1427 L1428 L1431 F1643 A1648 V1649 | L1427-E1645 HydrophobicContact CB-CG 3.91Å; L1427-E1645 HydrophobicContact CD2-CB 3.99Å; L1427-E1645 HydrophobicContact CD2-CG 3.85Å; L1427-E1645 HydrophobicContact CG-CB 4.26Å; L1427-E1645 HydrophobicContact CG-CG 3.84Å; L1428-E1645 HydrophobicContact CB-CG 4.36Å; L1431-E1645 HydrophobicContact CD1-CB 4.31Å; F1643-E1645 PolarHBondContact O-N 3.35Å; E1645-A1648 PolarHBondContact O-N 3.2Å; E1645-V1649 WeakPolarHBondContact O-CG2 3.37Å; E1645-V1649 PolarHBondContact O-N 2.8Å; E1645-V1649 VanDerWaalsContact O-N 3.07Å |
| 1646 | F | 84.8 | Confident | 71.3 | Confident | 6 Ų | 6 | 24.2 Ų | 24.2 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.3 | -40.9 | 178.5 | -61.1 | -36.8 | 0 | 0 | 0 | 110.9 | P1373 L1407 F1410 H1411 L1414 F1607 L1611 F1640 F1643 A1648 V1649 Q1650 | P1373-F1646 HydrophobicContact CG-CE2 3.61Å; P1373-F1646 HydrophobicContact CG-CZ 3.73Å; L1407-F1646 HydrophobicContact CB-CE2 4.35Å; L1407-F1646 HydrophobicContact CD2-CD2 4.47Å; L1407-F1646 HydrophobicContact CD2-CE2 3.79Å; L1407-F1646 HydrophobicContact CD2-CZ 4.34Å; F1410-F1646 HydrophobicContact CB-CE1 4.29Å; F1410-F1646 HydrophobicContact CB-CZ 4.36Å; H1411-F1646 HydrophobicContact CB-CE1 4.4Å; H1411-F1646 HydrophobicContact CB-CZ 4.21Å; L1414-F1646 HydrophobicContact CD1-CD1 3.63Å; L1414-F1646 HydrophobicContact CD1-CE1 3.78Å; F1607-F1646 HydrophobicContact CZ-CE1 4.46Å; L1611-F1646 HydrophobicContact CD1-CD1 4.25Å; L1611-F1646 HydrophobicContact CD1-CE1 4.38Å; L1611-F1646 HydrophobicContact CD1-CG 4.44Å; F1640-F1646 HydrophobicContact CD1-CD2 4.5Å; F1643-F1646 HydrophobicContact CB-CB 4.44Å; F1643-F1646 HydrophobicContact CB-CD2 3.46Å; F1643-F1646 VanDerWaalsContact CB-CD2 3.46Å; F1643-F1646 HydrophobicContact CB-CE2 4.01Å; F1643-F1646 HydrophobicContact CB-CG 4.22Å; F1643-F1646 HydrophobicContact CD2-CD2 4.05Å; F1643-F1646 HydrophobicContact CD2-CE2 4.22Å; F1643-F1646 AromaticContact CG-CD2 3.93Å; F1643-F1646 HydrophobicContact CG-CD2 3.93Å; F1643-F1646 HydrophobicContact CG-CE2 4.08Å; F1643-F1646 PolarHBondContact O-N 3.4Å; F1646-A1648 PolarHBondContact O-N 2.97Å; F1646-V1649 PolarHBondContact O-N 3.44Å; F1646-Q1650 PolarHBondContact O-N 3.49Å |
| 1647 | V | 79.9 | Confident | 73.5 | Confident | 4 Ų | 4 | 14.1 Ų | 14.1 | 2% | 0.024 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 172.6 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | F1497 M1509 F1640 H1641 F1643 P1644 V1649 Q1650 L1651 | F1497-V1647 HydrophobicContact CZ-CB 4.32Å; F1497-V1647 HydrophobicContact CZ-CG1 3.93Å; M1509-V1647 HydrophobicContact CE-CG1 3.4Å; M1509-V1647 HydrophobicContact SD-CG1 3.79Å; F1640-V1647 WeakPolarHBondContact O-CG2 3.26Å; H1641-V1647 VanDerWaalsContact CA-CG2 3.48Å; F1643-V1647 PolarHBondContact O-N 3.48Å; P1644-V1647 PolarHBondContact O-N 2.78Å; V1647-V1649 VanDerWaalsContact C-N 3.31Å; V1647-V1649 PolarHBondContact O-N 3.41Å; V1647-Q1650 PolarHBondContact O-N 3.49Å; V1647-Q1650 VanDerWaalsContact O-N 3.12Å; V1647-L1651 HydrophobicContact CG1-CD1 3.9Å; V1647-L1651 HydrophobicContact CG1-CG 4.24Å; V1647-L1651 VanDerWaalsContact O-CG 3.32Å; V1647-L1651 WeakPolarHBondContact O-CG 3.27Å; V1647-L1651 PolarHBondContact O-N 3.33Å |
| 1648 | A | 82.6 | Confident | 75.5 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.7 | -35.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1428 L1431 L1432 F1497 P1644 E1645 F1646 L1652 | L1428-A1648 HydrophobicContact CD1-CB 4.04Å; L1431-A1648 HydrophobicContact CB-CB 3.73Å; L1431-A1648 HydrophobicContact CD1-CB 4.2Å; L1432-A1648 HydrophobicContact CD2-CB 4Å; F1497-A1648 HydrophobicContact CE1-CB 4.09Å; F1497-A1648 HydrophobicContact CZ-CB 4.07Å; P1644-A1648 VanDerWaalsContact O-CB 3.28Å; P1644-A1648 WeakPolarHBondContact O-CB 3.16Å; P1644-A1648 PolarHBondContact O-N 2.82Å; E1645-A1648 PolarHBondContact O-N 3.2Å; F1646-A1648 PolarHBondContact O-N 2.97Å; A1648-L1652 WeakPolarHBondContact O-CB 3.37Å; A1648-L1652 PolarHBondContact O-N 3.26Å |
| 1649 | V | 83.5 | Confident | 77.3 | Confident | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.006 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67 | -38.9 | 171.9 | 170.2 | 0 | 0 | 0 | 0 | 112.5 | L1414 F1418 L1431 V1604 F1607 V1608 E1645 F1646 V1647 L1652 C1653 | L1414-V1649 HydrophobicContact CD1-CG2 3.75Å; L1414-V1649 HydrophobicContact CD2-CG1 4.28Å; L1414-V1649 HydrophobicContact CD2-CG2 3.7Å; L1414-V1649 HydrophobicContact CG-CG2 4.35Å; F1418-V1649 HydrophobicContact CE2-CG2 4.3Å; L1431-V1649 HydrophobicContact CD1-CG2 3.74Å; L1431-V1649 HydrophobicContact CD2-CG2 3.79Å; L1431-V1649 HydrophobicContact CG-CG2 4.43Å; V1604-V1649 HydrophobicContact CG1-CG1 3.64Å; F1607-V1649 HydrophobicContact CD1-CG1 4.31Å; F1607-V1649 HydrophobicContact CE1-CG1 4.45Å; V1608-V1649 HydrophobicContact CG2-CG1 3.79Å; E1645-V1649 WeakPolarHBondContact O-CG2 3.37Å; E1645-V1649 PolarHBondContact O-N 2.8Å; E1645-V1649 VanDerWaalsContact O-N 3.07Å; F1646-V1649 PolarHBondContact O-N 3.44Å; V1647-V1649 VanDerWaalsContact C-N 3.31Å; V1647-V1649 PolarHBondContact O-N 3.41Å; V1649-L1652 WeakPolarHBondContact O-CB 3.49Å; V1649-L1652 PolarHBondContact O-N 3.25Å; V1649-C1653 PolarHBondContact O-N 2.84Å |
| 1650 | Q | 80.2 | Confident | 78.5 | Confident | 42 Ų | 42 | 10.2 Ų | 10.2 | 20% | 0.196 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -68 | -46.4 | 176.9 | -173.2 | 175.7 | -6.9 | 0 | 0 | 111.6 | F1646 V1647 L1652 C1653 Y1654 | F1646-Q1650 PolarHBondContact O-N 3.49Å; V1647-Q1650 PolarHBondContact O-N 3.49Å; V1647-Q1650 VanDerWaalsContact O-N 3.12Å; Q1650-L1652 PolarHBondContact O-N 3.48Å; Q1650-C1653 WeakPolarHBondContact O-CB 3.45Å; Q1650-C1653 PolarHBondContact O-N 2.69Å; Q1650-C1653 VanDerWaalsContact O-N 3.14Å; Q1650-Y1654 PolarHBondContact O-N 3.1Å |
| 1651 | L | 83.5 | Confident | 79.5 | Confident | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62 | -32.6 | 174 | -65.6 | 175.4 | 0 | 0 | 0 | 112.1 | F1497 W1506 M1509 Y1510 Y1514 V1647 Y1654 R1655 | F1497-L1651 HydrophobicContact CE2-CD1 3.52Å; F1497-L1651 HydrophobicContact CZ-CD1 3.68Å; W1506-L1651 WeakPolarHBondContact O-CD2 3.29Å; M1509-L1651 HydrophobicContact CE-CD1 4.47Å; M1509-L1651 HydrophobicContact CG-CD1 3.99Å; M1509-L1651 HydrophobicContact SD-CD1 4.1Å; Y1510-L1651 HydrophobicContact CD2-CB 4.39Å; Y1510-L1651 HydrophobicContact CD2-CD2 4.16Å; Y1510-L1651 HydrophobicContact CG-CD2 4.49Å; Y1514-L1651 HydrophobicContact CD1-CB 4.13Å; Y1514-L1651 HydrophobicContact CD2-CB 4.3Å; Y1514-L1651 HydrophobicContact CD2-CD1 4.08Å; Y1514-L1651 HydrophobicContact CE1-CB 4.26Å; Y1514-L1651 HydrophobicContact CE2-CB 4.45Å; Y1514-L1651 HydrophobicContact CG-CB 4.16Å; Y1514-L1651 HydrophobicContact CG-CD1 4.11Å; V1647-L1651 HydrophobicContact CG1-CD1 3.9Å; V1647-L1651 HydrophobicContact CG1-CG 4.24Å; V1647-L1651 VanDerWaalsContact O-CG 3.32Å; V1647-L1651 WeakPolarHBondContact O-CG 3.27Å; V1647-L1651 PolarHBondContact O-N 3.33Å; L1651-Y1654 PolarHBondContact O-N 3.16Å; L1651-R1655 WeakPolarHBondContact O-CB 3.34Å; L1651-R1655 PolarHBondContact O-N 2.68Å |
| 1652 | L | 82.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.2 | -45.6 | 171.1 | 167.8 | 56 | 0 | 0 | 0 | 112.4 | F1418 L1431 A1648 V1649 Q1650 Y1654 R1655 A1656 E2017 V2018 | F1418-L1652 HydrophobicContact CE1-CD2 3.62Å; F1418-L1652 HydrophobicContact CZ-CD2 3.63Å; L1431-L1652 HydrophobicContact CD2-CD2 4.11Å; A1648-L1652 WeakPolarHBondContact O-CB 3.37Å; A1648-L1652 PolarHBondContact O-N 3.26Å; V1649-L1652 WeakPolarHBondContact O-CB 3.49Å; V1649-L1652 PolarHBondContact O-N 3.25Å; Q1650-L1652 PolarHBondContact O-N 3.48Å; L1652-Y1654 PolarHBondContact O-N 2.95Å; L1652-R1655 WeakPolarHBondContact O-CB 3.44Å; L1652-R1655 PolarHBondContact O-N 3.05Å; L1652-R1655 VanDerWaalsContact O-N 3.14Å; L1652-A1656 WeakPolarHBondContact O-CB 3.33Å; L1652-A1656 PolarHBondContact O-N 3.14Å; L1652-E2017 VanDerWaalsContact CD1-CA 3.45Å; L1652-E2017 HydrophobicContact CD1-CB 3.29Å; L1652-E2017 HydrophobicContact CD1-CG 3.74Å; L1652-E2017 HydrophobicContact CD2-CB 3.7Å; L1652-E2017 HydrophobicContact CG-CB 4.09Å; L1652-V2018 HydrophobicContact CD1-CG1 4.19Å; L1652-V2018 HydrophobicContact CD2-CG1 3.92Å; L1652-V2018 HydrophobicContact CG-CG1 3.99Å |
| 1653 | C | 79.9 | Confident | 81.1 | Confident | 3 Ų | 3 | 15.7 Ų | 15.7 | 2% | 0.02 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57 | -41.3 | 172.8 | -81.2 | 0 | 0 | 0 | 0 | 111 | V1604 L1605 V1649 Q1650 A1656 I1657 | V1604-C1653 VanDerWaalsContact CG1-SG 3.6Å; L1605-C1653 HydrophobicContact CD2-CB 4.23Å; V1649-C1653 PolarHBondContact O-N 2.84Å; Q1650-C1653 WeakPolarHBondContact O-CB 3.45Å; Q1650-C1653 PolarHBondContact O-N 2.69Å; Q1650-C1653 VanDerWaalsContact O-N 3.14Å; C1653-A1656 PolarHBondContact O-N 3.04Å; C1653-I1657 WeakPolarHBondContact O-CB 3.48Å; C1653-I1657 WeakPolarHBondContact O-CG1 3.26Å; C1653-I1657 PolarHBondContact O-N 2.95Å |
| 1654 | Y | 80.7 | Confident | 81.1 | Confident | 27 Ų | 27 | 18.7 Ų | 18.7 | 11% | 0.106 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65 | -44.6 | 172.4 | -170.3 | -87.8 | 0 | 0 | 0 | 112.5 | W1506 E1507 Y1510 Q1650 L1651 L1652 A1656 I1657 S1658 M1703 | W1506-Y1654 HydrophobicContact CE3-CD2 4.37Å; W1506-Y1654 HydrophobicContact CH2-CD2 4.12Å; W1506-Y1654 AromaticContact CH2-CE2 3.98Å; W1506-Y1654 HydrophobicContact CH2-CE2 3.98Å; W1506-Y1654 AromaticContact CZ3-CD2 3.45Å; W1506-Y1654 HydrophobicContact CZ3-CD2 3.45Å; W1506-Y1654 VanDerWaalsContact CZ3-CD2 3.45Å; W1506-Y1654 AromaticContact CZ3-CE2 3.48Å; W1506-Y1654 HydrophobicContact CZ3-CE2 3.48Å; W1506-Y1654 VanDerWaalsContact CZ3-CE2 3.48Å; W1506-Y1654 HydrophobicContact CZ3-CG 4.24Å; E1507-Y1654 PolarHBondContact OE1-OH 2.94Å; Y1510-Y1654 AromaticContact CD1-CD1 3.67Å; Y1510-Y1654 HydrophobicContact CD1-CD1 3.67Å; Y1510-Y1654 AromaticContact CD1-CE1 3.46Å; Y1510-Y1654 HydrophobicContact CD1-CE1 3.46Å; Y1510-Y1654 VanDerWaalsContact CD1-CE1 3.46Å; Y1510-Y1654 AromaticContact CD2-CD1 3.57Å; Y1510-Y1654 HydrophobicContact CD2-CD1 3.57Å; Y1510-Y1654 HydrophobicContact CD2-CE1 4.25Å; Y1510-Y1654 HydrophobicContact CD2-CG 4.39Å; Y1510-Y1654 AromaticContact CE1-CD1 3.81Å; Y1510-Y1654 HydrophobicContact CE1-CD1 3.81Å; Y1510-Y1654 AromaticContact CE1-CE1 3.69Å; Y1510-Y1654 HydrophobicContact CE1-CE1 3.69Å; Y1510-Y1654 AromaticContact CE2-CD1 3.7Å; Y1510-Y1654 HydrophobicContact CE2-CD1 3.7Å; Y1510-Y1654 HydrophobicContact CE2-CE1 4.42Å; Y1510-Y1654 AromaticContact CG-CD1 3.57Å; Y1510-Y1654 HydrophobicContact CG-CD1 3.57Å; Y1510-Y1654 AromaticContact CG-CE1 3.78Å; Y1510-Y1654 HydrophobicContact CG-CE1 3.78Å; Y1510-Y1654 AromaticContact CZ-CD1 3.84Å; Q1650-Y1654 PolarHBondContact O-N 3.1Å; L1651-Y1654 PolarHBondContact O-N 3.16Å; L1652-Y1654 PolarHBondContact O-N 2.95Å; Y1654-A1656 PolarHBondContact O-N 3.28Å; Y1654-I1657 PolarHBondContact O-N 2.89Å; Y1654-S1658 WeakPolarHBondContact CD1-OG 3.43Å; Y1654-S1658 WeakPolarHBondContact CE1-OG 3.37Å; Y1654-S1658 VanDerWaalsContact O-CB 3.24Å; Y1654-S1658 WeakPolarHBondContact O-CB 3.48Å; Y1654-S1658 PolarHBondContact O-N 3.19Å; Y1654-S1658 PolarHBondContact O-OG 3.08Å; Y1654-M1703 HydrophobicContact CD2-SD 4.34Å |
| 1655 | R | 82.2 | Confident | 81.2 | Confident | 10 Ų | 10 | 26.2 Ų | 26.2 | 4% | 0.038 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -52.9 | -42.9 | 173.6 | -164.7 | -167.2 | 176.1 | 168.2 | -5.4 | 111.1 | Y1510 Y1514 V1518 E1521 L1651 L1652 F1659 L2015 L2016 E2017 | Y1510-R1655 HydrophobicContact CE2-CB 3.92Å; Y1510-R1655 HydrophobicContact CE2-CG 4.43Å; Y1514-R1655 HydrophobicContact CE1-CB 4.23Å; Y1514-R1655 HydrophobicContact CE1-CG 4.4Å; V1518-R1655 HydrophobicContact CG2-CG 4.4Å; V1518-R1655 VanDerWaalsContact CG2-CZ 3.4Å; E1521-R1655 IonicContact OE2-NH2 2.71Å; E1521-R1655 PolarHBondContact OE2-NH2 3.3Å; L1651-R1655 WeakPolarHBondContact O-CB 3.34Å; L1651-R1655 PolarHBondContact O-N 2.68Å; L1652-R1655 WeakPolarHBondContact O-CB 3.44Å; L1652-R1655 PolarHBondContact O-N 3.05Å; L1652-R1655 VanDerWaalsContact O-N 3.14Å; R1655-F1659 VanDerWaalsContact O-CB 3.3Å; R1655-F1659 WeakPolarHBondContact O-CB 3.27Å; R1655-F1659 PolarHBondContact O-N 3.27Å; R1655-L2015 PolarHBondContact NH2-O 3.48Å; R1655-L2016 HydrophobicContact CB-CD2 4.26Å; R1655-L2016 HydrophobicContact CG-CD2 3.68Å; R1655-E2017 IonicContact CZ-OE1 2.98Å; R1655-E2017 IonicContact NH1-OE1 3.32Å; R1655-E2017 PolarHBondContact NH1-OE1 2.82Å |
| 1656 | A | 79.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.6 | -45.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1601 L1652 C1653 Y1654 F1659 I1660 V2018 | L1601-A1656 HydrophobicContact CD1-CB 3.89Å; L1601-A1656 HydrophobicContact CD2-CB 4.11Å; L1652-A1656 WeakPolarHBondContact O-CB 3.33Å; L1652-A1656 PolarHBondContact O-N 3.14Å; C1653-A1656 PolarHBondContact O-N 3.04Å; Y1654-A1656 PolarHBondContact O-N 3.28Å; A1656-F1659 PolarHBondContact O-N 3.09Å; A1656-I1660 WeakPolarHBondContact O-CG1 3.33Å; A1656-I1660 PolarHBondContact O-N 3.47Å; A1656-V2018 HydrophobicContact CB-CG2 3.37Å |
| 1657 | I | 76.8 | Confident | 81 | Confident | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.051 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.3 | -45 | 176.3 | -71.8 | 166.2 | 0 | 0 | 0 | 110.8 | L1605 C1653 Y1654 F1659 I1660 K1661 I1694 M1703 | L1605-I1657 HydrophobicContact CD2-CD1 4.37Å; C1653-I1657 WeakPolarHBondContact O-CB 3.48Å; C1653-I1657 WeakPolarHBondContact O-CG1 3.26Å; C1653-I1657 PolarHBondContact O-N 2.95Å; Y1654-I1657 PolarHBondContact O-N 2.89Å; I1657-F1659 VanDerWaalsContact C-N 3.31Å; I1657-F1659 PolarHBondContact O-N 3.3Å; I1657-I1660 WeakPolarHBondContact O-CB 3.28Å; I1657-I1660 PolarHBondContact O-N 2.69Å; I1657-I1660 VanDerWaalsContact O-N 3.11Å; I1657-K1661 HydrophobicContact CG2-CD 4.41Å; I1657-K1661 WeakPolarHBondContact O-CG 3.29Å; I1657-K1661 PolarHBondContact O-N 3.14Å; I1657-I1694 HydrophobicContact CG1-CD1 4.15Å; I1657-I1694 HydrophobicContact CG2-CD1 4.33Å; I1657-M1703 HydrophobicContact CD1-CE 3.88Å; I1657-M1703 HydrophobicContact CD1-SD 4.25Å |
| 1658 | S | 80.8 | Confident | 81 | Confident | 30 Ų | 30 | 29.6 Ų | 29.6 | 21% | 0.21 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.5 | -32.2 | 176.4 | -69.5 | 0 | 0 | 0 | 0 | 112.3 | Y1654 K1661 H1662 | Y1654-S1658 WeakPolarHBondContact CD1-OG 3.43Å; Y1654-S1658 WeakPolarHBondContact CE1-OG 3.37Å; Y1654-S1658 VanDerWaalsContact O-CB 3.24Å; Y1654-S1658 WeakPolarHBondContact O-CB 3.48Å; Y1654-S1658 PolarHBondContact O-N 3.19Å; Y1654-S1658 PolarHBondContact O-OG 3.08Å; S1658-K1661 PolarHBondContact O-N 2.92Å; S1658-H1662 WeakPolarHBondContact O-CB 3.46Å; S1658-H1662 PolarHBondContact O-N 3.49Å |
| 1659 | F | 83.4 | Confident | 81 | Confident | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72 | -35.6 | 168.8 | -179.7 | -101.8 | 0 | 0 | 0 | 113.3 | R1655 A1656 I1657 K1661 H1662 I1663 L2009 E2012 A2013 L2016 L2020 L2026 | R1655-F1659 VanDerWaalsContact O-CB 3.3Å; R1655-F1659 WeakPolarHBondContact O-CB 3.27Å; R1655-F1659 PolarHBondContact O-N 3.27Å; A1656-F1659 PolarHBondContact O-N 3.09Å; I1657-F1659 VanDerWaalsContact C-N 3.31Å; I1657-F1659 PolarHBondContact O-N 3.3Å; F1659-K1661 VanDerWaalsContact C-N 3.31Å; F1659-K1661 PolarHBondContact O-N 3.46Å; F1659-H1662 HydrophobicContact CD2-CB 4.34Å; F1659-H1662 CarbonylContact O-C 3.59Å; F1659-H1662 WeakPolarHBondContact O-CA 3.25Å; F1659-H1662 WeakPolarHBondContact O-CB 3.28Å; F1659-H1662 PolarHBondContact O-N 2.99Å; F1659-H1662 VanDerWaalsContact O-N 3.1Å; F1659-I1663 HydrophobicContact CD1-CD1 3.96Å; F1659-I1663 HydrophobicContact CD1-CG1 4.13Å; F1659-I1663 HydrophobicContact CE1-CD1 3.47Å; F1659-I1663 VanDerWaalsContact CE1-CD1 3.47Å; F1659-I1663 HydrophobicContact CE1-CG1 3.65Å; F1659-I1663 HydrophobicContact CE2-CG1 4.32Å; F1659-I1663 HydrophobicContact CZ-CD1 4.01Å; F1659-I1663 HydrophobicContact CZ-CG1 3.71Å; F1659-I1663 WeakPolarHBondContact O-CG1 3.25Å; F1659-I1663 PolarHBondContact O-N 3.07Å; F1659-L2009 HydrophobicContact CE2-CB 4.5Å; F1659-L2009 HydrophobicContact CE2-CD2 3.74Å; F1659-L2009 HydrophobicContact CZ-CB 4.32Å; F1659-L2009 HydrophobicContact CZ-CD2 4.15Å; F1659-L2009 WeakPolarHBondContact CZ-O 3.13Å; F1659-E2012 HydrophobicContact CD2-CB 3.71Å; F1659-E2012 WeakPolarHBondContact CD2-OE2 3.2Å; F1659-E2012 HydrophobicContact CE2-CB 3.37Å; F1659-E2012 HydrophobicContact CE2-CG 4.34Å; F1659-E2012 VanDerWaalsContact CE2-OE2 3.27Å; F1659-E2012 WeakPolarHBondContact CE2-OE2 3.35Å; F1659-E2012 HydrophobicContact CZ-CB 4.15Å; F1659-A2013 HydrophobicContact CE1-CB 3.65Å; F1659-A2013 HydrophobicContact CZ-CB 3.68Å; F1659-L2016 HydrophobicContact CB-CD1 3.85Å; F1659-L2016 HydrophobicContact CB-CD2 3.92Å; F1659-L2016 HydrophobicContact CB-CG 4.12Å; F1659-L2016 HydrophobicContact CD1-CD1 3.29Å; F1659-L2016 HydrophobicContact CD1-CG 4.06Å; F1659-L2016 HydrophobicContact CE1-CD1 4.01Å; F1659-L2016 HydrophobicContact CG-CD1 3.72Å; F1659-L2016 HydrophobicContact CG-CD2 4.39Å; F1659-L2016 HydrophobicContact CG-CG 4.05Å; F1659-L2020 HydrophobicContact CD1-CD1 3.58Å; F1659-L2020 HydrophobicContact CE1-CD1 4.12Å; F1659-L2026 HydrophobicContact CZ-CD1 4.2Å |
| 1660 | I | 77.8 | Confident | 81.1 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 170 | -67.8 | 165.1 | 0 | 0 | 0 | 109.9 | L1601 A1656 I1657 H1662 I1663 Q1664 I1691 I1694 L2020 | L1601-I1660 HydrophobicContact CD2-CD1 3.8Å; A1656-I1660 WeakPolarHBondContact O-CG1 3.33Å; A1656-I1660 PolarHBondContact O-N 3.47Å; I1657-I1660 WeakPolarHBondContact O-CB 3.28Å; I1657-I1660 PolarHBondContact O-N 2.69Å; I1657-I1660 VanDerWaalsContact O-N 3.11Å; I1660-H1662 VanDerWaalsContact C-N 3.29Å; I1660-H1662 PolarHBondContact O-N 3.06Å; I1660-I1663 WeakPolarHBondContact O-CB 3.44Å; I1660-I1663 PolarHBondContact O-N 2.92Å; I1660-Q1664 PolarHBondContact O-N 3.4Å; I1660-I1691 HydrophobicContact CG2-CB 4.3Å; I1660-I1691 HydrophobicContact CG2-CD1 3.55Å; I1660-I1691 HydrophobicContact CG2-CG1 3.74Å; I1660-I1691 HydrophobicContact CG2-CG2 3.55Å; I1660-I1694 HydrophobicContact CD1-CD1 3.84Å; I1660-I1694 HydrophobicContact CG2-CD1 4.25Å; I1660-L2020 HydrophobicContact CD1-CD1 4.38Å; I1660-L2020 HydrophobicContact CD1-CD2 3.81Å; I1660-L2020 HydrophobicContact CG1-CD1 3.73Å; I1660-L2020 HydrophobicContact CG1-CD2 4.08Å |
| 1661 | K | 78.4 | Confident | 81.2 | Confident | 104 Ų | 104 | 38.5 Ų | 38.5 | 45% | 0.452 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.5 | -37.8 | 172.1 | -67.1 | 172.8 | -179.4 | 175.9 | 0 | 111.7 | I1657 S1658 F1659 Q1664 K1665 | I1657-K1661 HydrophobicContact CG2-CD 4.41Å; I1657-K1661 WeakPolarHBondContact O-CG 3.29Å; I1657-K1661 PolarHBondContact O-N 3.14Å; S1658-K1661 PolarHBondContact O-N 2.92Å; F1659-K1661 VanDerWaalsContact C-N 3.31Å; F1659-K1661 PolarHBondContact O-N 3.46Å; K1661-Q1664 PolarHBondContact O-N 2.92Å; K1661-K1665 WeakPolarHBondContact O-CB 3.44Å; K1661-K1665 PolarHBondContact O-N 3Å |
| 1662 | H | 83.2 | Confident | 81.3 | Confident | 65 Ų | 65 | 41.1 Ų | 41.1 | 30% | 0.301 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 174.1 | -172.5 | -158.6 | 0 | 0 | 0 | 112.2 | S1658 F1659 I1660 Q1664 K1665 S1666 E2012 | S1658-H1662 WeakPolarHBondContact O-CB 3.46Å; S1658-H1662 PolarHBondContact O-N 3.49Å; F1659-H1662 HydrophobicContact CD2-CB 4.34Å; F1659-H1662 CarbonylContact O-C 3.59Å; F1659-H1662 WeakPolarHBondContact O-CA 3.25Å; F1659-H1662 WeakPolarHBondContact O-CB 3.28Å; F1659-H1662 PolarHBondContact O-N 2.99Å; F1659-H1662 VanDerWaalsContact O-N 3.1Å; I1660-H1662 VanDerWaalsContact C-N 3.29Å; I1660-H1662 PolarHBondContact O-N 3.06Å; H1662-Q1664 VanDerWaalsContact C-N 3.35Å; H1662-Q1664 PolarHBondContact O-N 3.38Å; H1662-K1665 PolarHBondContact O-N 3.33Å; H1662-S1666 PolarHBondContact CD2-OG 3.28Å; H1662-S1666 PolarHBondContact NE2-OG 3.39Å; H1662-S1666 VanDerWaalsContact O-CB 3.28Å; H1662-S1666 WeakPolarHBondContact O-CB 3.28Å; H1662-S1666 PolarHBondContact O-N 3.25Å; H1662-S1666 PolarHBondContact O-OG 3.08Å; H1662-E2012 IonicContact CE1-OE1 2.75Å; H1662-E2012 PolarHBondContact CE1-OE1 3.46Å; H1662-E2012 IonicContact CE1-OE2 2.72Å; H1662-E2012 PolarHBondContact CE1-OE2 2.89Å; H1662-E2012 VanDerWaalsContact CE1-OE2 3.31Å; H1662-E2012 IonicContact CG-OE2 3.28Å; H1662-E2012 IonicContact ND1-OE1 2.71Å; H1662-E2012 IonicContact ND1-OE2 2.84Å; H1662-E2012 PolarHBondContact ND1-OE2 3.44Å |
| 1663 | I | 80.8 | Confident | 81.4 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57 | -49.3 | 172.3 | -62.6 | 170.7 | 0 | 0 | 0 | 110 | F1659 I1660 K1665 S1666 I1667 M1688 L2009 Q2022 L2026 | F1659-I1663 HydrophobicContact CD1-CD1 3.96Å; F1659-I1663 HydrophobicContact CD1-CG1 4.13Å; F1659-I1663 HydrophobicContact CE1-CD1 3.47Å; F1659-I1663 VanDerWaalsContact CE1-CD1 3.47Å; F1659-I1663 HydrophobicContact CE1-CG1 3.65Å; F1659-I1663 HydrophobicContact CE2-CG1 4.32Å; F1659-I1663 HydrophobicContact CZ-CD1 4.01Å; F1659-I1663 HydrophobicContact CZ-CG1 3.71Å; F1659-I1663 WeakPolarHBondContact O-CG1 3.25Å; F1659-I1663 PolarHBondContact O-N 3.07Å; I1660-I1663 WeakPolarHBondContact O-CB 3.44Å; I1660-I1663 PolarHBondContact O-N 2.92Å; I1663-K1665 PolarHBondContact O-N 2.91Å; I1663-S1666 PolarHBondContact O-N 3.32Å; I1663-I1667 HydrophobicContact CG2-CD1 3.55Å; I1663-I1667 HydrophobicContact CG2-CG1 4.14Å; I1663-I1667 WeakPolarHBondContact O-CB 3.47Å; I1663-I1667 WeakPolarHBondContact O-CG1 3.35Å; I1663-I1667 PolarHBondContact O-N 3.47Å; I1663-M1688 HydrophobicContact CG2-CE 4.37Å; I1663-L2009 HydrophobicContact CG1-CD2 4.42Å; I1663-Q2022 HydrophobicContact CD1-CB 3.7Å; I1663-Q2022 HydrophobicContact CD1-CG 4.39Å; I1663-L2026 HydrophobicContact CD1-CD1 4.07Å; I1663-L2026 HydrophobicContact CG1-CD1 4.24Å; I1663-L2026 HydrophobicContact CG2-CD2 4.37Å |
| 1664 | Q | 79.3 | Confident | 81.7 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.5 | -51.5 | 178.8 | -72.1 | 171.4 | -70.8 | 0 | 0 | 110.9 | I1660 K1661 H1662 A1668 I1691 | I1660-Q1664 PolarHBondContact O-N 3.4Å; K1661-Q1664 PolarHBondContact O-N 2.92Å; H1662-Q1664 VanDerWaalsContact C-N 3.35Å; H1662-Q1664 PolarHBondContact O-N 3.38Å; Q1664-A1668 WeakPolarHBondContact O-CB 3.3Å; Q1664-A1668 PolarHBondContact O-N 2.98Å; Q1664-I1691 HydrophobicContact CG-CD1 3.36Å |
| 1665 | K | 81.8 | Confident | 81.9 | Confident | 158 Ų | 158 | 51 Ų | 51 | 69% | 0.687 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.6 | -47.7 | -178.5 | -168.9 | 174.4 | -178.2 | 179.1 | 0 | 111.7 | K1661 H1662 I1663 A1668 S1669 | K1661-K1665 WeakPolarHBondContact O-CB 3.44Å; K1661-K1665 PolarHBondContact O-N 3Å; H1662-K1665 PolarHBondContact O-N 3.33Å; I1663-K1665 PolarHBondContact O-N 2.91Å; K1665-A1668 PolarHBondContact O-N 3.16Å; K1665-S1669 WeakPolarHBondContact O-CB 3.49Å; K1665-S1669 PolarHBondContact O-N 3.49Å; K1665-S1669 PolarHBondContact O-OG 3.46Å |
| 1666 | S | 82.6 | Confident | 82.1 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 12% | 0.119 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -76.2 | -28.7 | -175 | -70.1 | 0 | 0 | 0 | 0 | 114.1 | H1662 I1663 N1670 | H1662-S1666 PolarHBondContact CD2-OG 3.28Å; H1662-S1666 PolarHBondContact NE2-OG 3.39Å; H1662-S1666 VanDerWaalsContact O-CB 3.28Å; H1662-S1666 WeakPolarHBondContact O-CB 3.28Å; H1662-S1666 PolarHBondContact O-N 3.25Å; H1662-S1666 PolarHBondContact O-OG 3.08Å; I1663-S1666 PolarHBondContact O-N 3.32Å; S1666-N1670 WeakPolarHBondContact O-CB 3.47Å; S1666-N1670 PolarHBondContact O-N 3.36Å |
| 1667 | I | 81.5 | Confident | 82.3 | Confident | 12 Ų | 12 | 51.2 Ų | 51.2 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.3 | -40.9 | 167.7 | -64.9 | -177.3 | 0 | 0 | 0 | 110.4 | I1663 S1669 N1670 K1674 L1677 M1688 L2026 | I1663-I1667 HydrophobicContact CG2-CD1 3.55Å; I1663-I1667 HydrophobicContact CG2-CG1 4.14Å; I1663-I1667 WeakPolarHBondContact O-CB 3.47Å; I1663-I1667 WeakPolarHBondContact O-CG1 3.35Å; I1663-I1667 PolarHBondContact O-N 3.47Å; I1667-S1669 PolarHBondContact O-N 2.86Å; I1667-N1670 PolarHBondContact O-N 3.43Å; I1667-K1674 HydrophobicContact CG2-CB 4.33Å; I1667-K1674 WeakPolarHBondContact O-CB 3.19Å; I1667-L1677 HydrophobicContact CD1-CD2 4.23Å; I1667-L1677 HydrophobicContact CG2-CD2 4.05Å; I1667-M1688 HydrophobicContact CD1-CE 4.36Å; I1667-L2026 HydrophobicContact CD1-CD2 4.25Å |
| 1668 | A | 79.3 | Confident | 82.6 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 49% | 0.488 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.8 | -35.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1664 K1665 | Q1664-A1668 WeakPolarHBondContact O-CB 3.3Å; Q1664-A1668 PolarHBondContact O-N 2.98Å; K1665-A1668 PolarHBondContact O-N 3.16Å |
| 1669 | S | 82.2 | Confident | 82.8 | Confident | 92 Ų | 92 | 55.4 Ų | 55.4 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -78.6 | -24.5 | 177.8 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | K1665 I1667 | K1665-S1669 WeakPolarHBondContact O-CB 3.49Å; K1665-S1669 PolarHBondContact O-N 3.49Å; K1665-S1669 PolarHBondContact O-OG 3.46Å; I1667-S1669 PolarHBondContact O-N 2.86Å |
| 1670 | N | 86.2 | Confident | 82.7 | Confident | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.134 | 29% | 0.292 | C | S | . | . | trans | -101.3 | 98.5 | 176.5 | -172.2 | -55.9 | 0 | 0 | 0 | 110 | S1666 I1667 E1672 L1673 K1674 | S1666-N1670 WeakPolarHBondContact O-CB 3.47Å; S1666-N1670 PolarHBondContact O-N 3.36Å; I1667-N1670 PolarHBondContact O-N 3.43Å; N1670-E1672 PolarHBondContact O-N 3.37Å; N1670-E1672 VanDerWaalsContact O-N 3.16Å; N1670-E1672 WeakPolarHBondContact OD1-CB 3.47Å; N1670-E1672 PolarHBondContact OD1-N 3.38Å; N1670-L1673 HydrophobicContact CB-CB 4.1Å; N1670-L1673 HydrophobicContact CB-CD1 4Å; N1670-L1673 HydrophobicContact CB-CG 4.15Å; N1670-L1673 PolarHBondContact O-N 3.41Å; N1670-L1673 VanDerWaalsContact O-N 3.11Å; N1670-L1673 PolarHBondContact OD1-N 2.64Å; N1670-K1674 PolarHBondContact O-N 3.1Å | ||
| 1671 | T | 83.3 | Confident | 83 | Confident | 112 Ų | 112 | 56.9 Ų | 56.9 | 69% | 0.687 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.8 | -31.7 | -177.4 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | K1674 Q1675 | T1671-K1674 PolarHBondContact O-N 3.14Å; T1671-Q1675 WeakPolarHBondContact O-CB 3.47Å; T1671-Q1675 PolarHBondContact O-N 3Å |
| 1672 | E | 85.1 | Confident | 83.2 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.2 | -41.3 | 178.1 | -165.6 | -174.7 | -141.1 | 0 | 0 | 111.5 | N1670 Q1675 A1676 F1996 L1998 S1999 A2002 | N1670-E1672 PolarHBondContact O-N 3.37Å; N1670-E1672 VanDerWaalsContact O-N 3.16Å; N1670-E1672 WeakPolarHBondContact OD1-CB 3.47Å; N1670-E1672 PolarHBondContact OD1-N 3.38Å; E1672-Q1675 PolarHBondContact O-N 3.33Å; E1672-A1676 VanDerWaalsContact O-CB 3.24Å; E1672-A1676 WeakPolarHBondContact O-CB 3.46Å; E1672-A1676 PolarHBondContact O-N 2.91Å; E1672-F1996 HydrophobicContact CG-CE1 4.14Å; E1672-L1998 HydrophobicContact CG-CD2 4.01Å; E1672-S1999 PolarHBondContact OE1-N 3.37Å; E1672-S1999 WeakPolarHBondContact OE2-CB 3.25Å; E1672-S1999 PolarHBondContact OE2-N 2.91Å; E1672-S1999 PolarHBondContact OE2-OG 2.94Å; E1672-A2002 HydrophobicContact CB-CB 4.48Å; E1672-A2002 WeakPolarHBondContact OE2-CB 3.2Å |
| 1673 | L | 84.7 | Confident | 83.1 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | 170 | -71.2 | 177.9 | 0 | 0 | 0 | 112 | N1670 Q1675 A1676 L1677 L1998 A2002 I2005 L2006 | N1670-L1673 HydrophobicContact CB-CB 4.1Å; N1670-L1673 HydrophobicContact CB-CD1 4Å; N1670-L1673 HydrophobicContact CB-CG 4.15Å; N1670-L1673 PolarHBondContact O-N 3.41Å; N1670-L1673 VanDerWaalsContact O-N 3.11Å; N1670-L1673 PolarHBondContact OD1-N 2.64Å; L1673-Q1675 VanDerWaalsContact C-N 3.35Å; L1673-A1676 PolarHBondContact O-N 3.27Å; L1673-L1677 WeakPolarHBondContact O-CB 3.36Å; L1673-L1677 PolarHBondContact O-N 3.13Å; L1673-L1998 HydrophobicContact CD2-CD1 3.64Å; L1673-L1998 HydrophobicContact CD2-CD2 3.94Å; L1673-L1998 HydrophobicContact CD2-CG 4.45Å; L1673-A2002 HydrophobicContact CD2-CB 4.18Å; L1673-A2002 HydrophobicContact CG-CB 4.01Å; L1673-I2005 HydrophobicContact CD1-CB 4.2Å; L1673-I2005 HydrophobicContact CD1-CG2 3.74Å; L1673-L2006 HydrophobicContact CD2-CB 4.14Å; L1673-L2006 HydrophobicContact CD2-CD2 4.13Å |
| 1674 | K | 85.3 | Confident | 82.9 | Confident | 122 Ų | 122 | 59.2 Ų | 59.2 | 53% | 0.53 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -44 | 175.8 | -165.9 | 176.4 | -178.7 | 176.7 | 0 | 111.6 | I1667 N1670 T1671 S1678 | I1667-K1674 HydrophobicContact CG2-CB 4.33Å; I1667-K1674 WeakPolarHBondContact O-CB 3.19Å; N1670-K1674 PolarHBondContact O-N 3.1Å; T1671-K1674 PolarHBondContact O-N 3.14Å; K1674-S1678 WeakPolarHBondContact O-CB 3.49Å; K1674-S1678 PolarHBondContact O-N 3.23Å |
| 1675 | Q | 85.6 | Confident | 82.7 | Confident | 115 Ų | 115 | 63 Ų | 63 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.3 | -39.8 | 178 | -171.1 | 162.4 | 0.1 | 0 | 0 | 111.9 | T1671 E1672 L1673 L1677 S1678 D1679 F1996 | T1671-Q1675 WeakPolarHBondContact O-CB 3.47Å; T1671-Q1675 PolarHBondContact O-N 3Å; E1672-Q1675 PolarHBondContact O-N 3.33Å; L1673-Q1675 VanDerWaalsContact C-N 3.35Å; Q1675-L1677 VanDerWaalsContact C-N 3.28Å; Q1675-L1677 PolarHBondContact O-N 3.1Å; Q1675-S1678 PolarHBondContact O-N 2.71Å; Q1675-D1679 WeakPolarHBondContact O-CB 3.31Å; Q1675-D1679 PolarHBondContact O-N 2.99Å; Q1675-F1996 HydrophobicContact CB-CZ 4.29Å; Q1675-F1996 HydrophobicContact CG-CE2 4.26Å; Q1675-F1996 HydrophobicContact CG-CZ 4.19Å |
| 1676 | A | 85.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58 | -40.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1672 L1673 Y1680 F1996 L1998 L2029 | E1672-A1676 VanDerWaalsContact O-CB 3.24Å; E1672-A1676 WeakPolarHBondContact O-CB 3.46Å; E1672-A1676 PolarHBondContact O-N 2.91Å; L1673-A1676 PolarHBondContact O-N 3.27Å; A1676-Y1680 WeakPolarHBondContact O-CB 3.43Å; A1676-Y1680 PolarHBondContact O-N 3.48Å; A1676-Y1680 VanDerWaalsContact O-N 3.14Å; A1676-F1996 HydrophobicContact CB-CB 4.38Å; A1676-F1996 HydrophobicContact CB-CD1 3.35Å; A1676-F1996 HydrophobicContact CB-CD2 4.21Å; A1676-F1996 HydrophobicContact CB-CE1 3.57Å; A1676-F1996 HydrophobicContact CB-CE2 4.37Å; A1676-F1996 HydrophobicContact CB-CG 3.71Å; A1676-F1996 HydrophobicContact CB-CZ 4.08Å; A1676-L1998 HydrophobicContact CB-CD2 3.77Å; A1676-L2029 HydrophobicContact CB-CD2 4.17Å; A1676-L2029 WeakPolarHBondContact O-CD2 3.24Å |
| 1677 | L | 84.5 | Confident | 81.7 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65 | -52.7 | 173.4 | -176.4 | 68.9 | 0 | 0 | 0 | 110.8 | I1667 L1673 Q1675 D1679 Y1680 E1681 M1688 W2025 L2029 | I1667-L1677 HydrophobicContact CD1-CD2 4.23Å; I1667-L1677 HydrophobicContact CG2-CD2 4.05Å; L1673-L1677 WeakPolarHBondContact O-CB 3.36Å; L1673-L1677 PolarHBondContact O-N 3.13Å; Q1675-L1677 VanDerWaalsContact C-N 3.28Å; Q1675-L1677 PolarHBondContact O-N 3.1Å; L1677-D1679 PolarHBondContact O-N 2.98Å; L1677-Y1680 CarbonylContact O-C 3.53Å; L1677-Y1680 WeakPolarHBondContact O-CA 3.36Å; L1677-Y1680 WeakPolarHBondContact O-CB 3.06Å; L1677-Y1680 PolarHBondContact O-N 2.74Å; L1677-E1681 HydrophobicContact CD1-CG 4.38Å; L1677-E1681 HydrophobicContact CG-CG 4.27Å; L1677-E1681 WeakPolarHBondContact O-CG 3.45Å; L1677-E1681 PolarHBondContact O-N 2.66Å; L1677-M1688 HydrophobicContact CD1-CB 4.02Å; L1677-M1688 HydrophobicContact CD1-CE 4.38Å; L1677-M1688 HydrophobicContact CD1-SD 3.96Å; L1677-M1688 HydrophobicContact CD2-CE 3.78Å; L1677-M1688 HydrophobicContact CD2-SD 4.44Å; L1677-W2025 HydrophobicContact CD1-CE3 3.93Å; L1677-W2025 HydrophobicContact CD1-CZ3 4.5Å; L1677-L2029 HydrophobicContact CB-CD1 4.17Å; L1677-L2029 HydrophobicContact CD1-CD1 3.95Å |
| 1678 | S | 83.4 | Confident | 81.2 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | -177 | -168 | 0 | 0 | 0 | 0 | 113 | K1674 Q1675 Y1680 E1681 H1682 | K1674-S1678 WeakPolarHBondContact O-CB 3.49Å; K1674-S1678 PolarHBondContact O-N 3.23Å; Q1675-S1678 PolarHBondContact O-N 2.71Å; S1678-Y1680 VanDerWaalsContact C-N 3.3Å; S1678-Y1680 PolarHBondContact O-N 3.14Å; S1678-E1681 PolarHBondContact O-N 2.96Å; S1678-H1682 WeakPolarHBondContact O-CB 3.39Å; S1678-H1682 PolarHBondContact O-N 2.68Å |
| 1679 | D | 84.1 | Confident | 80.3 | Confident | 63 Ų | 63 | 63.1 Ų | 63.1 | 34% | 0.337 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.3 | -31.5 | 176.2 | -73.5 | 1.5 | 0 | 0 | 0 | 111.4 | Q1675 L1677 F1683 F1994 F1996 | Q1675-D1679 WeakPolarHBondContact O-CB 3.31Å; Q1675-D1679 PolarHBondContact O-N 2.99Å; L1677-D1679 PolarHBondContact O-N 2.98Å; D1679-F1683 VanDerWaalsContact O-CB 3.25Å; D1679-F1683 WeakPolarHBondContact O-CB 3.31Å; D1679-F1683 PolarHBondContact O-N 3.43Å; D1679-F1994 VanDerWaalsContact C-CE2 3.49Å; D1679-F1994 HydrophobicContact CB-CE2 3.85Å; D1679-F1994 HydrophobicContact CB-CZ 3.73Å; D1679-F1994 WeakPolarHBondContact O-CE2 3.16Å; D1679-F1996 HydrophobicContact CB-CD2 4.28Å; D1679-F1996 HydrophobicContact CB-CE2 4.35Å; D1679-F1996 WeakPolarHBondContact OD2-CE2 3.47Å |
| 1680 | Y | 83.2 | Confident | 78.5 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -76.5 | -35.5 | 175 | -177.6 | -120.8 | 0 | 0 | 0 | 112.8 | A1676 L1677 S1678 F1683 S1684 F1994 W2025 Q2028 L2029 A2042 Y2043 P2045 | A1676-Y1680 WeakPolarHBondContact O-CB 3.43Å; A1676-Y1680 PolarHBondContact O-N 3.48Å; A1676-Y1680 VanDerWaalsContact O-N 3.14Å; L1677-Y1680 CarbonylContact O-C 3.53Å; L1677-Y1680 WeakPolarHBondContact O-CA 3.36Å; L1677-Y1680 WeakPolarHBondContact O-CB 3.06Å; L1677-Y1680 PolarHBondContact O-N 2.74Å; S1678-Y1680 VanDerWaalsContact C-N 3.3Å; S1678-Y1680 PolarHBondContact O-N 3.14Å; Y1680-F1683 AromaticContact CD2-CD1 3.91Å; Y1680-F1683 HydrophobicContact CD2-CD1 3.91Å; Y1680-F1683 HydrophobicContact CE2-CD1 4.02Å; Y1680-F1683 HydrophobicContact CE2-CE1 4.3Å; Y1680-F1683 PolarHBondContact O-N 2.72Å; Y1680-S1684 VanDerWaalsContact O-CB 3.27Å; Y1680-S1684 WeakPolarHBondContact O-CB 3.5Å; Y1680-S1684 PolarHBondContact O-N 2.75Å; Y1680-S1684 PolarHBondContact O-OG 2.97Å; Y1680-F1994 HydrophobicContact CD2-CB 4.17Å; Y1680-F1994 AromaticContact CD2-CD1 3.56Å; Y1680-F1994 HydrophobicContact CD2-CD1 3.56Å; Y1680-F1994 HydrophobicContact CD2-CE1 4.01Å; Y1680-F1994 AromaticContact CD2-CG 3.87Å; Y1680-F1994 HydrophobicContact CD2-CG 3.87Å; Y1680-F1994 HydrophobicContact CE2-CD1 4.48Å; Y1680-F1994 HydrophobicContact CG-CD1 4.17Å; Y1680-F1994 HydrophobicContact CG-CE1 4.16Å; Y1680-W2025 AromaticContact CD1-CE3 3.46Å; Y1680-W2025 HydrophobicContact CD1-CE3 3.46Å; Y1680-W2025 VanDerWaalsContact CD1-CE3 3.46Å; Y1680-W2025 AromaticContact CD1-CZ3 3.46Å; Y1680-W2025 HydrophobicContact CD1-CZ3 3.46Å; Y1680-W2025 VanDerWaalsContact CD1-CZ3 3.46Å; Y1680-W2025 HydrophobicContact CE1-CD2 4.11Å; Y1680-W2025 AromaticContact CE1-CE3 3.4Å; Y1680-W2025 HydrophobicContact CE1-CE3 3.4Å; Y1680-W2025 VanDerWaalsContact CE1-CE3 3.4Å; Y1680-W2025 HydrophobicContact CE1-CH2 4.35Å; Y1680-W2025 AromaticContact CE1-CZ3 3.54Å; Y1680-W2025 HydrophobicContact CE1-CZ3 3.54Å; Y1680-W2025 HydrophobicContact CG-CZ3 4.49Å; Y1680-Q2028 HydrophobicContact CE1-CB 3.97Å; Y1680-Q2028 WeakPolarHBondContact OH-CB 3.21Å; Y1680-Q2028 WeakPolarHBondContact OH-CG 3.48Å; Y1680-L2029 HydrophobicContact CD1-CD2 4.08Å; Y1680-L2029 HydrophobicContact CG-CD2 4.11Å; Y1680-A2042 HydrophobicContact CD2-CB 4.2Å; Y1680-A2042 HydrophobicContact CE2-CB 3.7Å; Y1680-Y2043 PolarHBondContact OH-O 3.42Å; Y1680-P2045 HydrophobicContact CE1-CG 4.41Å; Y1680-P2045 WeakPolarHBondContact OH-CD 3.26Å |
| 1681 | E | 83.2 | Confident | 76.7 | Confident | 43 Ų | 43 | 61.5 Ų | 61.5 | 20% | 0.201 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 169.6 | -71.5 | 179 | 140.4 | 0 | 0 | 110.6 | L1677 S1678 S1684 N1685 M1686 M1688 W2025 | L1677-E1681 HydrophobicContact CD1-CG 4.38Å; L1677-E1681 HydrophobicContact CG-CG 4.27Å; L1677-E1681 WeakPolarHBondContact O-CG 3.45Å; L1677-E1681 PolarHBondContact O-N 2.66Å; S1678-E1681 PolarHBondContact O-N 2.96Å; E1681-S1684 WeakPolarHBondContact CA-OG 3.19Å; E1681-S1684 CarbonylContact O-C 3.23Å; E1681-S1684 PolarHBondContact O-N 3.45Å; E1681-S1684 PolarHBondContact O-OG 2.94Å; E1681-S1684 VanDerWaalsContact O-OG 3.08Å; E1681-N1685 WeakPolarHBondContact O-CA 3.34Å; E1681-N1685 PolarHBondContact O-N 2.66Å; E1681-M1686 CarbonylContact C-O 3.48Å; E1681-M1686 WeakPolarHBondContact CA-O 3.28Å; E1681-M1686 WeakPolarHBondContact CB-O 3.37Å; E1681-M1686 PolarHBondContact O-N 2.91Å; E1681-M1688 PolarHBondContact OE1-N 3.32Å; E1681-W2025 HydrophobicContact CG-CH2 4.27Å; E1681-W2025 HydrophobicContact CG-CZ3 3.75Å |
| 1682 | H | 82.5 | Confident | 74.6 | Confident | 156 Ų | 156 | 59.6 Ų | 59.6 | 72% | 0.722 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 174.6 | -171.4 | 70.2 | 0 | 0 | 0 | 112.1 | S1678 S1684 N1685 | S1678-H1682 WeakPolarHBondContact O-CB 3.39Å; S1678-H1682 PolarHBondContact O-N 2.68Å; H1682-S1684 VanDerWaalsContact C-N 3.29Å; H1682-S1684 PolarHBondContact O-N 3.35Å; H1682-N1685 PolarHBondContact O-N 3.45Å |
| 1683 | F | 81.8 | Confident | 72.5 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 27% | 0.268 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.9 | -33.9 | 175.4 | 165.4 | -96.9 | 0 | 0 | 0 | 113.5 | D1679 Y1680 F1994 H2044 | D1679-F1683 VanDerWaalsContact O-CB 3.25Å; D1679-F1683 WeakPolarHBondContact O-CB 3.31Å; D1679-F1683 PolarHBondContact O-N 3.43Å; Y1680-F1683 AromaticContact CD2-CD1 3.91Å; Y1680-F1683 HydrophobicContact CD2-CD1 3.91Å; Y1680-F1683 HydrophobicContact CE2-CD1 4.02Å; Y1680-F1683 HydrophobicContact CE2-CE1 4.3Å; Y1680-F1683 PolarHBondContact O-N 2.72Å; F1683-F1994 HydrophobicContact CB-CD2 3.61Å; F1683-F1994 HydrophobicContact CB-CE2 4.11Å; F1683-F1994 HydrophobicContact CB-CG 4.35Å; F1683-F1994 HydrophobicContact CD1-CB 3.5Å; F1683-F1994 VanDerWaalsContact CD1-CB 3.5Å; F1683-F1994 HydrophobicContact CD1-CD2 4.12Å; F1683-F1994 HydrophobicContact CD1-CG 4.03Å; F1683-F1994 HydrophobicContact CD2-CB 4.09Å; F1683-F1994 HydrophobicContact CD2-CD2 4.17Å; F1683-F1994 HydrophobicContact CE1-CB 3.52Å; F1683-F1994 HydrophobicContact CE2-CB 4.12Å; F1683-F1994 HydrophobicContact CG-CB 3.78Å; F1683-F1994 AromaticContact CG-CD2 3.7Å; F1683-F1994 HydrophobicContact CG-CD2 3.7Å; F1683-F1994 HydrophobicContact CG-CG 4.07Å; F1683-F1994 HydrophobicContact CZ-CB 3.85Å; F1683-H2044 HydrophobicContact CE1-CB 3.86Å; F1683-H2044 HydrophobicContact CZ-CB 4.31Å |
| 1684 | S | 75.6 | Confident | 70.5 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -87.6 | -11.6 | 178.6 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | Y1680 E1681 H1682 M1686 H2044 | Y1680-S1684 VanDerWaalsContact O-CB 3.27Å; Y1680-S1684 WeakPolarHBondContact O-CB 3.5Å; Y1680-S1684 PolarHBondContact O-N 2.75Å; Y1680-S1684 PolarHBondContact O-OG 2.97Å; E1681-S1684 WeakPolarHBondContact CA-OG 3.19Å; E1681-S1684 CarbonylContact O-C 3.23Å; E1681-S1684 PolarHBondContact O-N 3.45Å; E1681-S1684 PolarHBondContact O-OG 2.94Å; E1681-S1684 VanDerWaalsContact O-OG 3.08Å; H1682-S1684 VanDerWaalsContact C-N 3.29Å; H1682-S1684 PolarHBondContact O-N 3.35Å; S1684-M1686 PolarHBondContact O-N 3.18Å; S1684-M1686 VanDerWaalsContact O-N 3.16Å; S1684-M1686 PolarHBondContact OG-O 3.15Å; S1684-H2044 PolarHBondContact O-CE1 2.98Å; S1684-H2044 VanDerWaalsContact O-CE1 3.22Å; S1684-H2044 PolarHBondContact O-NE2 3.23Å |
| 1685 | N | 76.3 | Confident | 68.1 | Low | 148 Ų | 148 | 64.5 Ų | 64.5 | 79% | 0.791 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 38.2 | -169 | -161 | 77.3 | 0 | 0 | 0 | 112.4 | E1681 H1682 | E1681-N1685 WeakPolarHBondContact O-CA 3.34Å; E1681-N1685 PolarHBondContact O-N 2.66Å; H1682-N1685 PolarHBondContact O-N 3.45Å |
| 1686 | M | 70.2 | Confident | 65.7 | Low | 97 Ų | 97 | 66 Ų | 66 | 48% | 0.478 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -141.3 | 137.7 | 176.9 | -65.9 | -175.5 | 74.6 | 0 | 0 | 107 | E1681 S1684 W2025 P2045 | E1681-M1686 CarbonylContact C-O 3.48Å; E1681-M1686 WeakPolarHBondContact CA-O 3.28Å; E1681-M1686 WeakPolarHBondContact CB-O 3.37Å; E1681-M1686 PolarHBondContact O-N 2.91Å; S1684-M1686 PolarHBondContact O-N 3.18Å; S1684-M1686 VanDerWaalsContact O-N 3.16Å; S1684-M1686 PolarHBondContact OG-O 3.15Å; M1686-W2025 HydrophobicContact CB-CH2 4.2Å; M1686-W2025 HydrophobicContact CB-CZ2 4.34Å; M1686-W2025 WeakPolarHBondContact O-CH2 3.44Å; M1686-P2045 HydrophobicContact SD-CB 4.27Å; M1686-P2045 HydrophobicContact SD-CG 4.45Å |
| 1687 | T | 72.4 | Confident | 63.5 | Low | 84 Ų | 84 | 73.4 Ų | 73.4 | 52% | 0.515 | 39% | 0.387 | S | S | . | . | trans | -72.8 | 151.9 | 162.9 | 49.6 | 0 | 0 | 0 | 0 | 109.8 | W2025 | T1687-W2025 WeakPolarHBondContact O-CZ2 3.38Š| ||
| 1688 | M | 71.2 | Confident | 61.3 | Low | 18 Ų | 18 | 75.9 Ų | 75.9 | 9% | 0.089 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -59.6 | 130.8 | 158.2 | -178.5 | 172.8 | 74.2 | 0 | 0 | 106.8 | I1663 I1667 L1677 E1681 S1690 Q2022 W2025 | I1663-M1688 HydrophobicContact CG2-CE 4.37Å; I1667-M1688 HydrophobicContact CD1-CE 4.36Å; L1677-M1688 HydrophobicContact CD1-CB 4.02Å; L1677-M1688 HydrophobicContact CD1-CE 4.38Å; L1677-M1688 HydrophobicContact CD1-SD 3.96Å; L1677-M1688 HydrophobicContact CD2-CE 3.78Å; L1677-M1688 HydrophobicContact CD2-SD 4.44Å; E1681-M1688 PolarHBondContact OE1-N 3.32Å; M1688-S1690 PolarHBondContact O-N 2.79Å; M1688-Q2022 HydrophobicContact CG-CG 4.44Å; M1688-Q2022 HydrophobicContact SD-CB 4.33Å; M1688-Q2022 HydrophobicContact SD-CG 4.3Å; M1688-W2025 HydrophobicContact CB-CD2 3.68Å; M1688-W2025 HydrophobicContact CB-CE3 3.7Å; M1688-W2025 HydrophobicContact CB-CG 4.11Å; M1688-W2025 HydrophobicContact CB-CH2 4.46Å; M1688-W2025 HydrophobicContact CB-CZ2 4.43Å; M1688-W2025 HydrophobicContact CB-CZ3 4.11Å; M1688-W2025 HydrophobicContact CG-CB 3.97Å; M1688-W2025 HydrophobicContact CG-CD2 3.76Å; M1688-W2025 HydrophobicContact CG-CE3 4.21Å; M1688-W2025 HydrophobicContact CG-CG 3.61Å; M1688-W2025 HydrophobicContact SD-CB 3.6Å; M1688-W2025 HydrophobicContact SD-CD2 4.44Å; M1688-W2025 HydrophobicContact SD-CG 3.96Å |
| 1689 | P | 59.3 | Low | 59 | Low | 50 Ų | 50 | 75 Ų | 75 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | trans | -45.9 | 106.4 | -170.1 | -33.8 | 36.4 | 0 | 0 | 0 | 112.8 | I1691 P2021 | P1689-I1691 PolarHBondContact O-N 3.43Å; P1689-P2021 HydrophobicContact CG-CB 4.39Å | ||
| 1690 | S | 46.3 | Very low | 56.8 | Low | 65 Ų | 65 | 79.8 Ų | 79.8 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | trans | -58 | 137.7 | -171.5 | -51.6 | 0 | 0 | 0 | 0 | 109.7 | M1688 N1692 | M1688-S1690 PolarHBondContact O-N 2.79Å; S1690-N1692 WeakPolarHBondContact CB-OD1 3.26Å; S1690-N1692 PolarHBondContact O-N 3.4Å | ||
| 1691 | I | 48.4 | Very low | 54.9 | Low | 19 Ų | 19 | 88.6 Ų | 88.6 | 10% | 0.097 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 4.1 | -164.4 | -70.8 | 159.6 | 0 | 0 | 0 | 112.1 | I1660 Q1664 P1689 L1693 I1694 | I1660-I1691 HydrophobicContact CG2-CB 4.3Å; I1660-I1691 HydrophobicContact CG2-CD1 3.55Å; I1660-I1691 HydrophobicContact CG2-CG1 3.74Å; I1660-I1691 HydrophobicContact CG2-CG2 3.55Å; Q1664-I1691 HydrophobicContact CG-CD1 3.36Å; P1689-I1691 PolarHBondContact O-N 3.43Å; I1691-L1693 PolarHBondContact O-N 2.85Å; I1691-I1694 HydrophobicContact CG2-CB 4.42Å; I1691-I1694 HydrophobicContact CG2-CD1 4.27Å; I1691-I1694 WeakPolarHBondContact O-CB 3.21Å; I1691-I1694 PolarHBondContact O-N 3.08Å |
| 1692 | N | 39.2 | Very low | 52.9 | Low | 72 Ų | 72 | 88.2 Ų | 88.2 | 39% | 0.385 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -55.3 | -15 | 171.4 | -55.2 | 66.2 | 0 | 0 | 0 | 115.1 | S1690 I1694 E1695 E1696 | S1690-N1692 WeakPolarHBondContact CB-OD1 3.26Å; S1690-N1692 PolarHBondContact O-N 3.4Å; N1692-I1694 PolarHBondContact O-N 3.35Å; N1692-I1694 VanDerWaalsContact O-N 3.15Å; N1692-E1695 PolarHBondContact O-N 2.77Å; N1692-E1696 PolarHBondContact O-N 2.87Å |
| 1693 | L | 40.1 | Very low | 50.9 | Low | 131 Ų | 131 | 82.9 Ų | 82.9 | 69% | 0.686 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.1 | -13.9 | 165.1 | -94 | 169.6 | 0 | 0 | 0 | 113.7 | I1691 | I1691-L1693 PolarHBondContact O-N 2.85Å |
| 1694 | I | 42.1 | Very low | 48.4 | Very low | 22 Ų | 22 | 84.4 Ų | 84.4 | 11% | 0.113 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -96 | -51.8 | 169.6 | -75 | 174.9 | 0 | 0 | 0 | 108.3 | I1657 I1660 I1691 N1692 E1696 I1698 S1699 | I1657-I1694 HydrophobicContact CG1-CD1 4.15Å; I1657-I1694 HydrophobicContact CG2-CD1 4.33Å; I1660-I1694 HydrophobicContact CD1-CD1 3.84Å; I1660-I1694 HydrophobicContact CG2-CD1 4.25Å; I1691-I1694 HydrophobicContact CG2-CB 4.42Å; I1691-I1694 HydrophobicContact CG2-CD1 4.27Å; I1691-I1694 WeakPolarHBondContact O-CB 3.21Å; I1691-I1694 PolarHBondContact O-N 3.08Å; N1692-I1694 PolarHBondContact O-N 3.35Å; N1692-I1694 VanDerWaalsContact O-N 3.15Å; I1694-E1696 PolarHBondContact O-N 3.43Å; I1694-I1698 PolarHBondContact O-N 3.33Å; I1694-S1699 WeakPolarHBondContact CG2-OG 3.24Å; I1694-S1699 WeakPolarHBondContact O-CB 3.24Å; I1694-S1699 PolarHBondContact O-N 3.28Å; I1694-S1699 PolarHBondContact O-OG 3.44Å |
| 1695 | E | 34.6 | Very low | 46 | Very low | 129 Ų | 129 | 87.8 Ų | 87.8 | 60% | 0.603 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -75.2 | -20.6 | -168.6 | -61.7 | 175.8 | 156.8 | 0 | 0 | 116.9 | N1692 | N1692-E1695 PolarHBondContact O-N 2.77Å |
| 1696 | E | 35.8 | Very low | 43.6 | Very low | 147 Ų | 147 | 82.4 Ų | 82.4 | 69% | 0.687 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -10.1 | -174 | -85.8 | -175 | 177.9 | 0 | 0 | 116.9 | N1692 I1694 | N1692-E1696 PolarHBondContact O-N 2.87Å; I1694-E1696 PolarHBondContact O-N 3.43Å |
| 1697 | N | 39.6 | Very low | 41.5 | Very low | 155 Ų | 155 | 83 Ų | 83 | 83% | 0.829 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -166.3 | 6.8 | 175.8 | -106.7 | -70.9 | 0 | 0 | 0 | 116.7 | ||
| 1698 | I | 38.6 | Very low | 39.2 | Very low | 66 Ų | 66 | 85.3 Ų | 85.3 | 34% | 0.338 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | -8.6 | -169.5 | -61.3 | -174.7 | 0 | 0 | 0 | 114 | I1694 L1702 | I1694-I1698 PolarHBondContact O-N 3.33Å; I1698-L1702 WeakPolarHBondContact O-CB 3.44Å |
| 1699 | S | 34.3 | Very low | 36.9 | Very low | 47 Ų | 47 | 90.2 Ų | 90.2 | 33% | 0.329 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -101.1 | -4.6 | -167.2 | -63 | 0 | 0 | 0 | 0 | 118.1 | I1694 M1703 | I1694-S1699 WeakPolarHBondContact CG2-OG 3.24Å; I1694-S1699 WeakPolarHBondContact O-CB 3.24Å; I1694-S1699 PolarHBondContact O-N 3.28Å; I1694-S1699 PolarHBondContact O-OG 3.44Å; S1699-M1703 WeakPolarHBondContact O-CB 3.34Å |
| 1700 | E | 38.6 | Very low | 35.2 | Very low | 163 Ų | 163 | 94.4 Ų | 94.4 | 76% | 0.762 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -102.5 | -66.5 | 174.3 | -65 | -172.9 | 144.9 | 0 | 0 | 109.4 | L1702 M1703 S1704 | E1700-L1702 VanDerWaalsContact C-N 3.26Å; E1700-L1702 PolarHBondContact O-N 3.37Å; E1700-M1703 PolarHBondContact O-N 3.39Å; E1700-S1704 PolarHBondContact O-N 2.66Å; E1700-S1704 PolarHBondContact O-OG 3Å; E1700-S1704 VanDerWaalsContact O-OG 3.1Å |
| 1701 | E | 42 | Very low | 34.2 | Very low | 185 Ų | 185 | 96.7 Ų | 96.7 | 86% | 0.864 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -30.3 | -178.5 | -73.8 | -170.8 | 135.7 | 0 | 0 | 115.7 | ||
| 1702 | L | 41.8 | Very low | 33.1 | Very low | 36 Ų | 36 | 100.2 Ų | 100.2 | 19% | 0.188 | 55% | 0.552 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -3.2 | 179.4 | -118.5 | 98.5 | 0 | 0 | 0 | 114.5 | L1605 V1608 I1698 E1700 | L1605-L1702 HydrophobicContact CD2-CD2 4.33Å; V1608-L1702 HydrophobicContact CG1-CD2 3.99Å; I1698-L1702 WeakPolarHBondContact O-CB 3.44Å; E1700-L1702 VanDerWaalsContact C-N 3.26Å; E1700-L1702 PolarHBondContact O-N 3.37Å |
| 1703 | M | 39.9 | Very low | 32.5 | Very low | 43 Ų | 43 | 105 Ų | 105 | 21% | 0.212 | 57% | 0.572 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -131.7 | -15.8 | -171.1 | -61.2 | -88.9 | 107.5 | 0 | 0 | 113.8 | W1506 Y1654 I1657 S1699 E1700 S1705 | W1506-M1703 WeakPolarHBondContact CZ2-O 3.28Å; Y1654-M1703 HydrophobicContact CD2-SD 4.34Å; I1657-M1703 HydrophobicContact CD1-CE 3.88Å; I1657-M1703 HydrophobicContact CD1-SD 4.25Å; S1699-M1703 WeakPolarHBondContact O-CB 3.34Å; E1700-M1703 PolarHBondContact O-N 3.39Å; M1703-S1705 PolarHBondContact O-N 3.46Å |
| 1704 | S | 29.5 | Very low | 31.8 | Very low | 94 Ų | 94 | 106 Ų | 106 | 66% | 0.657 | 58% | 0.576 | S | S | * | * | trans | -96.9 | 69.6 | -177.5 | 68 | 0 | 0 | 0 | 0 | 113.4 | E1700 | E1700-S1704 PolarHBondContact O-N 2.66Å; E1700-S1704 PolarHBondContact O-OG 3Å; E1700-S1704 VanDerWaalsContact O-OG 3.1Å | ||
| 1705 | S | 26.5 | Very low | 31.2 | Very low | 73 Ų | 73 | 109.5 Ų | 109.5 | 51% | 0.51 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -148 | 42.2 | 173.5 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | W1506 M1703 | W1506-S1705 PolarHBondContact NE1-O 3.19Å; M1703-S1705 PolarHBondContact O-N 3.46Å |
| 1706 | S | 25.5 | Very low | 30.8 | Very low | 34 Ų | 34 | 109 Ų | 109 | 24% | 0.238 | 61% | 0.607 | C | S | . | * | trans | -169.4 | 121.7 | 159.2 | -82 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1707 | N | 26.4 | Very low | 30.3 | Very low | 111 Ų | 111 | 106.2 Ų | 106.2 | 59% | 0.594 | 60% | 0.596 | S | S | * | * | trans | 175.5 | 91.6 | 150.8 | -102.9 | -70.4 | 0 | 0 | 0 | 108.5 | E1507 | E1507-N1707 PolarHBondContact OE2-ND2 3.4Š| ||
| 1708 | C | 22.7 | Very low | 29.7 | Very low | 131 Ų | 131 | 101.2 Ų | 101.2 | 89% | 0.885 | 57% | 0.573 | S | S | * | * | trans | -126 | 40.9 | 176.2 | -69.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1709 | I | 24.6 | Very low | 29.2 | Very low | 121 Ų | 121 | 104.1 Ų | 104.1 | 62% | 0.621 | 58% | 0.584 | S | S | * | * | trans | -132.3 | 129.7 | 163.6 | -57.2 | 177.8 | 0 | 0 | 0 | 102.9 | ||||
| 1710 | D | 23.5 | Very low | 28.9 | Very low | 139 Ų | 139 | 106.6 Ų | 106.6 | 74% | 0.743 | 59% | 0.588 | S | S | * | * | cis | -145.3 | -175.2 | 36.2 | -142.4 | -21 | 0 | 0 | 0 | 115.2 | S1712 | D1710-S1712 PolarHBondContact O-N 2.96Š| ||
| 1711 | T | 23.7 | Very low | 28.2 | Very low | 112 Ų | 112 | 104.7 Ų | 104.7 | 69% | 0.687 | 58% | 0.583 | S | S | * | * | trans | -43 | 121 | -177.7 | 55 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1712 | S | 25.6 | Very low | 27.7 | Very low | 94 Ų | 94 | 105.5 Ų | 105.5 | 66% | 0.657 | 58% | 0.579 | S | S | * | * | trans | 51.2 | 123.4 | 131.3 | 69.1 | 0 | 0 | 0 | 0 | 122.4 | D1710 | D1710-S1712 PolarHBondContact O-N 2.96Š| ||
| 1713 | Q | 27.8 | Very low | 27.3 | Very low | 173 Ų | 173 | 111.3 Ų | 111.3 | 81% | 0.808 | 61% | 0.61 | S | S | * | * | trans | 77 | 116.1 | 144.1 | -64.8 | 178 | 25.3 | 0 | 0 | 118.4 | ||||
| 1714 | I | 24.5 | Very low | 26.9 | Very low | 151 Ų | 151 | 114.3 Ų | 114.3 | 77% | 0.774 | 63% | 0.632 | S | S | * | * | 92.7 | 137.9 | 61.8 | -87.7 | 171.2 | 0 | 0 | 0 | 112.3 | |||||
| 1715 | P | 30 | Very low | 26.8 | Very low | 96 Ų | 96 | 113.3 Ų | 113.3 | 62% | 0.623 | 63% | 0.629 | S | S | * | * | cis | -147.2 | -169.4 | -11.9 | 39.7 | -18.6 | 0 | 0 | 0 | 117.8 | ||||
| 1716 | T | 25.1 | Very low | 26.7 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 73% | 0.73 | 65% | 0.646 | S | S | * | * | trans | 72.3 | 139.4 | 157.8 | 59.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1717 | N | 25.4 | Very low | 26.7 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 47% | 0.471 | 67% | 0.671 | S | S | . | * | cis | -170.6 | 166.1 | -18.1 | -121.1 | -31.4 | 0 | 0 | 0 | 109 | N1749 T1750 T1751 | N1717-N1749 VanDerWaalsContact CG-O 3.29Å; N1717-N1749 PolarHBondContact ND2-O 3.27Å; N1717-T1750 CarbonylContact O-C 3.11Å; N1717-T1751 WeakPolarHBondContact O-CA 3.4Å; N1717-T1751 PolarHBondContact O-N 3.45Å | ||
| 1718 | S | 27.2 | Very low | 26.8 | Very low | 49 Ų | 49 | 121.9 Ų | 121.9 | 34% | 0.343 | 68% | 0.68 | S | S | . | * | -162.5 | -27.3 | -62.5 | 59.6 | 0 | 0 | 0 | 0 | 117.2 | T1751 | S1718-T1751 PolarHBondContact N-OG1 3.16Š| |||
| 1719 | K | 28.6 | Very low | 27.6 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 56% | 0.557 | 67% | 0.672 | S | S | * | * | trans | -150.1 | -176.9 | -163.7 | -106.3 | 82.3 | -119.6 | 158.5 | 0 | 111.5 | T1750 T1751 | K1719-T1750 VanDerWaalsContact O-CG2 3.27Å; K1719-T1750 WeakPolarHBondContact O-CG2 3.5Å; K1719-T1751 PolarHBondContact N-OG1 2.87Å; K1719-T1751 PolarHBondContact O-OG1 3.46Å | ||
| 1720 | K | 29.1 | Very low | 27.9 | Very low | 99 Ų | 99 | 119.8 Ų | 119.8 | 43% | 0.43 | 68% | 0.675 | S | S | . | * | cis | -166.8 | 162.5 | 12.4 | -139.2 | -178 | 177.9 | 165.8 | 0 | 112.9 | S1747 S1748 N1749 | K1720-S1747 PolarHBondContact NZ-OG 3.34Å; K1720-S1748 WeakPolarHBondContact CE-OG 3.32Å; K1720-S1748 PolarHBondContact NZ-OG 2.86Å; K1720-N1749 WeakPolarHBondContact CB-OD1 3.08Å; K1720-N1749 WeakPolarHBondContact CD-OD1 3.4Å | ||
| 1721 | L | 23.3 | Very low | 28 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 64% | 0.639 | 68% | 0.676 | S | S | * | * | trans | 69.2 | 147.3 | 157.4 | -62.8 | 174.1 | 0 | 0 | 0 | 119.9 | ||||
| 1722 | Y | 30.3 | Very low | 28.3 | Very low | 203 Ų | 203 | 120.7 Ų | 120.7 | 80% | 0.796 | 67% | 0.674 | S | S | * | * | cis | -131.6 | 152.8 | 14.5 | -102.9 | -83.9 | 0 | 0 | 0 | 114.9 | ||||
| 1723 | L | 35 | Very low | 28.5 | Very low | 158 Ų | 158 | 123.1 Ų | 123.1 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | trans | -113.9 | 142.1 | 153.2 | -82 | 165.3 | 0 | 0 | 0 | 107.4 | ||||
| 1724 | P | 31 | Very low | 28.5 | Very low | 106 Ų | 106 | 119 Ų | 119 | 69% | 0.688 | 67% | 0.674 | S | S | * | * | -146.4 | 160.5 | 99.9 | 37.7 | -20.2 | 0 | 0 | 0 | 113.2 | |||||
| 1725 | A | 27 | Very low | 28.7 | Very low | 72 Ų | 72 | 116.3 Ų | 116.3 | 60% | 0.595 | 67% | 0.669 | S | S | * | * | 62.9 | 140 | 55.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1726 | K | 25.1 | Very low | 28.7 | Very low | 199 Ų | 199 | 116.9 Ų | 116.9 | 87% | 0.865 | 68% | 0.676 | S | S | * | * | cis | -145.6 | 171.1 | 23 | -94 | 153.4 | -177.8 | 172.6 | 0 | 109.4 | ||||
| 1727 | G | 25.7 | Very low | 28.7 | Very low | 73 Ų | 73 | 115.6 Ų | 115.6 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | 75.3 | 156.2 | 78.8 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 1728 | T | 27.8 | Very low | 28.6 | Very low | 127 Ų | 127 | 121 Ų | 121 | 78% | 0.779 | 69% | 0.691 | S | S | * | * | cis | -152.6 | 162.1 | 14.1 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1729 | S | 38.4 | Very low | 28.8 | Very low | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -50.6 | 160.9 | 149.1 | 164.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1730 | P | 31.7 | Very low | 28.5 | Very low | 105 Ų | 105 | 122.1 Ų | 122.1 | 68% | 0.682 | 72% | 0.715 | S | S | * | * | -145.2 | 138.5 | 127.5 | 33.1 | -16.5 | 0 | 0 | 0 | 116.7 | |||||
| 1731 | L | 24.9 | Very low | 28.2 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | trans | 72.1 | 154.4 | 135.2 | -62.8 | 175.8 | 0 | 0 | 0 | 119.2 | ||||
| 1732 | D | 29.7 | Very low | 28.4 | Very low | 120 Ų | 120 | 123 Ų | 123 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | cis | -141 | 161.8 | 22.1 | -135.5 | -14.2 | 0 | 0 | 0 | 116.9 | ||||
| 1733 | L | 29.9 | Very low | 28.4 | Very low | 145 Ų | 145 | 118.8 Ų | 118.8 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | 39.9 | 134.1 | 154.9 | -70.1 | 156 | 0 | 0 | 0 | 120.8 | ||||
| 1734 | A | 28 | Very low | 27.9 | Very low | 86 Ų | 86 | 117.1 Ų | 117.1 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | cis | -165.4 | 171.6 | -6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1735 | S | 29.5 | Very low | 27.7 | Very low | 95 Ų | 95 | 120.4 Ų | 120.4 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | cis | -159.2 | 177.8 | 6.1 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1736 | S | 29.5 | Very low | 27.7 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | 55.3 | 85 | 174.2 | 60 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1737 | S | 25.2 | Very low | 27.8 | Very low | 93 Ų | 93 | 122 Ų | 122 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | cis | 73.4 | 126 | 24 | -44.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1738 | K | 24.5 | Very low | 28 | Very low | 200 Ų | 200 | 121.5 Ų | 121.5 | 87% | 0.87 | 71% | 0.713 | S | S | * | * | trans | 71.1 | 148.1 | 158.7 | -56.7 | 157.4 | -174.3 | 177.7 | 0 | 115.6 | ||||
| 1739 | S | 29.7 | Very low | 27.9 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 78% | 0.783 | 69% | 0.693 | S | S | * | * | cis | -133.3 | 155.2 | 5.1 | 44.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1740 | S | 24.2 | Very low | 27.5 | Very low | 89 Ų | 89 | 118 Ų | 118 | 62% | 0.622 | 69% | 0.685 | S | S | * | * | cis | 98.1 | 107.7 | 11 | 84.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1741 | L | 22.5 | Very low | 27.4 | Very low | 174 Ų | 174 | 116.8 Ų | 116.8 | 91% | 0.911 | 68% | 0.676 | S | S | * | * | trans | 61.2 | 103.4 | 153.5 | -73.6 | 80.7 | 0 | 0 | 0 | 120.1 | ||||
| 1742 | G | 27.7 | Very low | 27.5 | Very low | 65 Ų | 65 | 115.7 Ų | 115.7 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | -115.6 | 139.7 | 118.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 1743 | S | 28.7 | Very low | 27.3 | Very low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | 86.1 | 128.5 | 52.4 | 71.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1744 | D | 25.1 | Very low | 27 | Very low | 123 Ų | 123 | 118.6 Ų | 118.6 | 66% | 0.658 | 68% | 0.681 | S | S | * | * | cis | -165.8 | 166.4 | -18.7 | -155 | -6.1 | 0 | 0 | 0 | 110.3 | ||||
| 1745 | R | 27.9 | Very low | 26.8 | Very low | 176 Ų | 176 | 122.9 Ų | 122.9 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | trans | 64.3 | 112.7 | 152 | -73.6 | 159.7 | -153.3 | -141.7 | 0.9 | 124.6 | ||||
| 1746 | R | 25.6 | Very low | 26.6 | Very low | 220 Ų | 220 | 126.5 Ų | 126.5 | 83% | 0.83 | 70% | 0.699 | S | S | * | * | 78.5 | 161.5 | 117.5 | -68.3 | 174.4 | -179.7 | -164.7 | -2.6 | 121.1 | |||||
| 1747 | S | 27.4 | Very low | 26.4 | Very low | 84 Ų | 84 | 126 Ų | 126 | 59% | 0.587 | 70% | 0.695 | S | S | * | * | cis | 171.1 | 166.2 | -28.8 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | K1720 | K1720-S1747 PolarHBondContact NZ-OG 3.34Š| ||
| 1748 | S | 29.2 | Very low | 26.5 | Very low | 62 Ų | 62 | 129.5 Ų | 129.5 | 43% | 0.434 | 70% | 0.701 | S | S | . | * | -176.2 | -170.9 | -50.4 | -70.5 | 0 | 0 | 0 | 0 | 108.2 | K1720 | K1720-S1748 WeakPolarHBondContact CE-OG 3.32Å; K1720-S1748 PolarHBondContact NZ-OG 2.86Å | |||
| 1749 | N | 27.6 | Very low | 26.7 | Very low | 68 Ų | 68 | 126 Ų | 126 | 36% | 0.364 | 70% | 0.702 | S | S | . | * | trans | 80 | 159.2 | 163 | -63.1 | 29.7 | 0 | 0 | 0 | 116.1 | N1717 K1720 | N1717-N1749 VanDerWaalsContact CG-O 3.29Å; N1717-N1749 PolarHBondContact ND2-O 3.27Å; K1720-N1749 WeakPolarHBondContact CB-OD1 3.08Å; K1720-N1749 WeakPolarHBondContact CD-OD1 3.4Å | ||
| 1750 | T | 29.3 | Very low | 26.4 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | cis | -159.3 | 177.9 | -18.4 | 21.1 | 0 | 0 | 0 | 0 | 108.6 | N1717 K1719 | N1717-T1750 CarbonylContact O-C 3.11Å; K1719-T1750 VanDerWaalsContact O-CG2 3.27Å; K1719-T1750 WeakPolarHBondContact O-CG2 3.5Å | ||
| 1751 | T | 29.9 | Very low | 26.5 | Very low | 78 Ų | 78 | 130 Ų | 130 | 48% | 0.479 | 70% | 0.702 | S | S | . | * | 173.8 | 112.8 | -60.9 | -70.5 | 0 | 0 | 0 | 0 | 108.8 | N1717 S1718 K1719 | N1717-T1751 WeakPolarHBondContact O-CA 3.4Å; N1717-T1751 PolarHBondContact O-N 3.45Å; S1718-T1751 PolarHBondContact N-OG1 3.16Å; K1719-T1751 PolarHBondContact N-OG1 2.87Å; K1719-T1751 PolarHBondContact O-OG1 3.46Å | |||
| 1752 | V | 25.9 | Very low | 26.7 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | trans | -143.6 | 116.5 | -178 | 177.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1753 | R | 25.7 | Very low | 26.7 | Very low | 232 Ų | 232 | 135.8 Ų | 135.8 | 88% | 0.875 | 70% | 0.704 | S | S | * | * | trans | 57.9 | 146.1 | 151 | -73.2 | -179.7 | 172.1 | 138.8 | -1.1 | 121.2 | ||||
| 1754 | S | 24.6 | Very low | 26.6 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | cis | -166.6 | 157.6 | -6.5 | 49.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1755 | M | 23.2 | Very low | 26.6 | Very low | 177 Ų | 177 | 137 Ų | 137 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | trans | 92.4 | 139.6 | 156.2 | -60.4 | -153.6 | 174.3 | 0 | 0 | 120.4 | ||||
| 1756 | I | 24.6 | Very low | 26.4 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 87% | 0.872 | 71% | 0.707 | S | S | * | * | trans | 61.1 | 84.1 | 170.8 | -38.7 | -175.1 | 0 | 0 | 0 | 117.9 | ||||
| 1757 | S | 26 | Very low | 26.5 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | trans | -165.8 | 167.7 | 142.9 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1758 | H | 26.1 | Very low | 26.5 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | trans | 119.9 | 119.2 | 161 | -73.7 | 54.8 | 0 | 0 | 0 | 116.2 | ||||
| 1759 | S | 29.8 | Very low | 26.4 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 88% | 0.881 | 71% | 0.714 | S | S | * | * | trans | -154.5 | 108 | 142 | 60.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1760 | Q | 24.3 | Very low | 26.5 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | trans | -124.5 | 177.8 | 179.9 | -160 | 168 | -18.7 | 0 | 0 | 108.2 | ||||
| 1761 | D | 25.6 | Very low | 26.5 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | trans | 81.4 | 116.7 | 160.3 | -68.5 | -17.7 | 0 | 0 | 0 | 121.3 | ||||
| 1762 | Y | 26.8 | Very low | 26.3 | Very low | 198 Ų | 198 | 141 Ų | 141 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | 72.5 | 129.8 | 139 | -80.6 | -97.5 | 0 | 0 | 0 | 123.1 | ||||
| 1763 | L | 28 | Very low | 26.1 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | -69.4 | 124 | 147 | -68.3 | 162.1 | 0 | 0 | 0 | 108.6 | ||||
| 1764 | D | 25.5 | Very low | 26.2 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | -158.8 | 176.1 | 105 | -135.4 | -28.1 | 0 | 0 | 0 | 111.7 | |||||
| 1765 | T | 25.5 | Very low | 26.3 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | trans | -80.6 | 144.1 | -164.8 | 50.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1766 | D | 24.8 | Very low | 26.5 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | trans | 76.2 | 124.5 | 136.1 | -78.4 | -21.1 | 0 | 0 | 0 | 123.4 | ||||
| 1767 | F | 26.1 | Very low | 26.5 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 68% | 0.68 | 72% | 0.716 | S | S | * | * | trans | 72.6 | 155.8 | 139.5 | -73.4 | -152.6 | 0 | 0 | 0 | 116.8 | K1769 | F1767-K1769 HydrophobicContact CD1-CD 4.18Å; F1767-K1769 HydrophobicContact CE1-CD 4.29Å; F1767-K1769 VanDerWaalsContact CE1-CE 3.4Å; F1767-K1769 VanDerWaalsContact CE1-NZ 3.26Å | ||
| 1768 | A | 27.4 | Very low | 26.8 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 66% | 0.661 | 71% | 0.714 | S | S | * | * | cis | -133.3 | 149.6 | 8.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1769 | K | 28.2 | Very low | 26.9 | Very low | 150 Ų | 150 | 131 Ų | 131 | 65% | 0.652 | 72% | 0.715 | S | S | * | * | 49.1 | 135 | 86 | -53.9 | -177.2 | 179.3 | -179.3 | 0 | 112.8 | F1767 | F1767-K1769 HydrophobicContact CD1-CD 4.18Å; F1767-K1769 HydrophobicContact CE1-CD 4.29Å; F1767-K1769 VanDerWaalsContact CE1-CE 3.4Å; F1767-K1769 VanDerWaalsContact CE1-NZ 3.26Å | |||
| 1770 | T | 28.2 | Very low | 26.8 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 68% | 0.681 | 71% | 0.706 | S | S | * | * | cis | -156.6 | -164.6 | 4.9 | 8.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1771 | Q | 29.3 | Very low | 26.8 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 58% | 0.575 | 71% | 0.714 | S | S | * | * | cis | -172 | 157.6 | 33.7 | -136.8 | 151.8 | 84 | 0 | 0 | 104.6 | ||||
| 1772 | T | 27 | Very low | 27.2 | Very low | 115 Ų | 115 | 133 Ų | 133 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | cis | -154.3 | 135 | 45.9 | 34.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1773 | V | 22.4 | Very low | 27.3 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | S | Bend | -90.1 | 147.7 | 97.9 | 179.1 | 0 | 0 | 0 | 0 | 105.4 | |||
| 1774 | G | 27.2 | Very low | 27.2 | Very low | 50 Ų | 50 | 132.8 Ų | 132.8 | 52% | 0.515 | 72% | 0.724 | S | S | . | * | trans | -65.8 | 166.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1775 | S | 26.3 | Very low | 27.3 | Very low | 81 Ų | 81 | 129 Ų | 129 | 57% | 0.566 | 72% | 0.722 | S | S | * | * | cis | -179.9 | 128 | -9.8 | 40.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1776 | Y | 28.3 | Very low | 27.5 | Very low | 201 Ų | 201 | 130.5 Ų | 130.5 | 79% | 0.788 | 73% | 0.726 | S | S | * | * | trans | 66.7 | 135.8 | -178.8 | -45.8 | -76.4 | 0 | 0 | 0 | 113.6 | ||||
| 1777 | L | 24.2 | Very low | 27.5 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | cis | 72.6 | 143.6 | 41.9 | -68.9 | 166.4 | 0 | 0 | 0 | 113.7 | ||||
| 1778 | P | 31.2 | Very low | 27.4 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | cis | -134 | -167.7 | -2.6 | 31.7 | -8.2 | 0 | 0 | 0 | 115.4 | ||||
| 1779 | T | 28.5 | Very low | 27.3 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | trans | 77.1 | 151.2 | 165.5 | 74.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1780 | S | 28.7 | Very low | 27.7 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | cis | -169.6 | 123.6 | -31.7 | 54.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1781 | R | 24 | Very low | 27.6 | Very low | 242 Ų | 242 | 124.8 Ų | 124.8 | 91% | 0.913 | 71% | 0.711 | S | S | * | * | trans | 55.1 | -173.1 | 153 | -62.8 | -172.5 | 163.8 | -173 | -3.4 | 117.9 | ||||
| 1782 | P | 34.1 | Very low | 27.3 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | -136 | 155.2 | -82 | 41.4 | -25.5 | 0 | 0 | 0 | 116.9 | |||||
| 1783 | R | 29.1 | Very low | 27.3 | Very low | 257 Ų | 257 | 125.6 Ų | 125.6 | 97% | 0.97 | 71% | 0.71 | S | S | * | * | trans | -173.6 | 166.3 | 143.6 | -114.4 | 172.4 | 174.8 | 173.9 | -2.1 | 117.3 | ||||
| 1784 | A | 25.7 | Very low | 27.7 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 80% | 0.802 | 70% | 0.701 | S | S | * | * | trans | -54.4 | 170.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1785 | G | 28.2 | Very low | 27.4 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 76% | 0.763 | 72% | 0.715 | S | S | * | * | trans | -166.3 | -5.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1786 | N | 27.9 | Very low | 27.4 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | trans | 58.1 | 123.4 | 162.3 | -77.8 | 3.7 | 0 | 0 | 0 | 124.1 | ||||
| 1787 | I | 25.4 | Very low | 27.2 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | 83.7 | 101.5 | 125.8 | -62 | 172.2 | 0 | 0 | 0 | 121.7 | |||||
| 1788 | S | 23.5 | Very low | 27.2 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | 75.4 | 165.1 | 121.4 | -147.5 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 1789 | M | 26.6 | Very low | 26.9 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 66% | 0.655 | 72% | 0.72 | S | S | * | * | trans | -112.7 | -160.6 | 179 | -41.6 | 176.8 | 80.3 | 0 | 0 | 108.9 | ||||
| 1790 | P | 36.1 | Very low | 26.8 | Very low | 44 Ų | 44 | 131.4 Ų | 131.4 | 29% | 0.286 | 71% | 0.711 | S | S | . | * | cis | -138.7 | -165.2 | -13.5 | 38.6 | -16.8 | 0 | 0 | 0 | 114.3 | ||||
| 1791 | A | 25.2 | Very low | 26.6 | Very low | 72 Ų | 72 | 132.5 Ų | 132.5 | 60% | 0.595 | 71% | 0.713 | S | S | * | * | trans | 60.9 | 145.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1792 | K | 24.7 | Very low | 26.5 | Very low | 201 Ų | 201 | 128.6 Ų | 128.6 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | trans | 45.2 | 119.5 | 153.7 | -69.5 | -178.3 | 177.9 | 178.6 | 0 | 122 | S2197 | K1792-S2197 PolarHBondContact O-OG 3.34Š| ||
| 1793 | S | 26.1 | Very low | 26 | Very low | 55 Ų | 55 | 126.8 Ų | 126.8 | 39% | 0.385 | 70% | 0.698 | S | S | . | * | trans | -173.9 | 146.4 | 132.9 | 144.9 | 0 | 0 | 0 | 0 | 112.6 | S2197 | S1793-S2197 WeakPolarHBondContact CB-OG 3.41Å; S1793-S2197 PolarHBondContact N-OG 2.91Å; S1793-S2197 VanDerWaalsContact N-OG 3.14Å; S1793-S2197 VanDerWaalsContact O-CA 3.27Å; S1793-S2197 WeakPolarHBondContact O-CA 3.35Å; S1793-S2197 WeakPolarHBondContact O-CB 3.47Å; S1793-S2197 PolarHBondContact O-N 3.3Å | ||
| 1794 | P | 30.3 | Very low | 25.9 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | trans | -124.6 | 178.9 | 158.6 | 42.6 | -31.1 | 0 | 0 | 0 | 113.3 | ||||
| 1795 | W | 22.2 | Very low | 25.8 | Very low | 211 Ų | 211 | 126 Ų | 126 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | trans | 76.6 | 117.2 | 168.7 | -78.5 | 71 | 0 | 0 | 0 | 121.1 | ||||
| 1796 | K | 25.5 | Very low | 25.6 | Very low | 169 Ų | 169 | 126.9 Ų | 126.9 | 74% | 0.735 | 67% | 0.672 | S | S | * | * | trans | 63.9 | 149.5 | 134.8 | -83.5 | -159.2 | -172.4 | -179.6 | 0 | 120.7 | ||||
| 1797 | V | 24.7 | Very low | 25.5 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 66% | 0.661 | 66% | 0.662 | S | S | * | * | cis | -159.1 | 161.4 | -9.4 | 78.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1798 | M | 22.9 | Very low | 25.3 | Very low | 155 Ų | 155 | 123.1 Ų | 123.1 | 76% | 0.764 | 66% | 0.659 | S | S | * | * | trans | 66.3 | 145.3 | 158.1 | -88.3 | 166.2 | 175.6 | 0 | 0 | 122.8 | ||||
| 1799 | N | 25.3 | Very low | 25.4 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | trans | 67.3 | 137.5 | 144.1 | -67.8 | 4.2 | 0 | 0 | 0 | 119.4 | ||||
| 1800 | S | 26.1 | Very low | 25.4 | Very low | 87 Ų | 87 | 123.3 Ų | 123.3 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | cis | -161.4 | 171.5 | -12 | -160 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1801 | T | 24.1 | Very low | 25 | Very low | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | trans | 50.3 | 141 | 148.5 | 44.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1802 | M | 23.2 | Very low | 25.4 | Very low | 161 Ų | 161 | 136 Ų | 136 | 79% | 0.793 | 70% | 0.703 | S | S | * | * | cis | -173.1 | 166.5 | -17.3 | -147.4 | -170.5 | 166.1 | 0 | 0 | 110.3 | ||||
| 1803 | S | 23.2 | Very low | 25.6 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 52% | 0.524 | 70% | 0.698 | S | S | . | * | trans | 75.3 | 151.6 | 136.1 | -86.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1804 | K | 27 | Very low | 25.6 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 80% | 0.8 | 71% | 0.713 | S | S | * | * | trans | 69.5 | 148.9 | 153.9 | -73.5 | 165.1 | -178.2 | 180 | 0 | 116.6 | ||||
| 1805 | M | 22.8 | Very low | 25.5 | Very low | 153 Ų | 153 | 139 Ų | 139 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | cis | -179.7 | 177.4 | -30 | -116.6 | 178.2 | 176.4 | 0 | 0 | 105 | ||||
| 1806 | E | 24.1 | Very low | 25.7 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 44% | 0.435 | 70% | 0.699 | S | S | . | * | trans | 65.6 | 163.3 | 166.1 | -51.6 | -160.2 | -177.7 | 0 | 0 | 116.4 | S1830 R1831 | E1806-S1830 WeakPolarHBondContact OE2-CB 3.26Å; E1806-R1831 IonicContact OE1-CZ 2.67Å; E1806-R1831 VanDerWaalsContact OE1-CZ 3.28Å; E1806-R1831 IonicContact OE1-NE 2.69Å; E1806-R1831 PolarHBondContact OE1-NE 2.82Å; E1806-R1831 IonicContact OE1-NH2 2.72Å; E1806-R1831 PolarHBondContact OE1-NH2 3.37Å; E1806-R1831 IonicContact OE2-NE 3.63Å | ||
| 1807 | M | 25.8 | Very low | 25.6 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 56% | 0.557 | 70% | 0.699 | S | S | * | * | cis | -147.6 | 173.7 | -40.1 | -107.5 | -166 | 88.2 | 0 | 0 | 109.1 | R1831 | M1807-R1831 HydrophobicContact SD-CG 4.28Š| ||
| 1808 | S | 23 | Very low | 25.5 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | trans | -81.4 | 157.9 | 166.6 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1809 | A | 25.3 | Very low | 26 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | 111.1 | 132.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1810 | N | 26.3 | Very low | 25.9 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 83% | 0.834 | 70% | 0.695 | S | S | * | * | trans | 29.2 | 132.7 | 145.9 | -54.7 | -10.5 | 0 | 0 | 0 | 119.1 | ||||
| 1811 | R | 28.3 | Very low | 25.7 | Very low | 247 Ų | 247 | 135.8 Ų | 135.8 | 93% | 0.932 | 70% | 0.702 | S | S | * | * | cis | -134.1 | 163.7 | 48.5 | -70.7 | 180 | 173.4 | -177.7 | -2.5 | 115.2 | ||||
| 1812 | N | 32.1 | Very low | 25.8 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | trans | -86.6 | 164.2 | 167.8 | -143.6 | -0.7 | 0 | 0 | 0 | 108.5 | ||||
| 1813 | P | 29.3 | Very low | 26.1 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | -147.5 | 163.7 | 69.7 | 42 | -23.9 | 0 | 0 | 0 | 117.9 | |||||
| 1814 | R | 27.2 | Very low | 26.5 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 69% | 0.694 | 71% | 0.706 | S | S | * | * | trans | -28.8 | 160.8 | 136.5 | -73.4 | 171.5 | 164.5 | -143.7 | 2.7 | 115 | ||||
| 1815 | E | 26.3 | Very low | 26.8 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 56% | 0.561 | 70% | 0.703 | S | S | * | * | cis | -168.2 | 143.1 | 4.3 | -113.7 | 149.9 | -170.4 | 0 | 0 | 107.6 | ||||
| 1816 | F | 26.5 | Very low | 27.2 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | trans | 65.7 | 159.5 | 145.4 | -80.5 | -124.6 | 0 | 0 | 0 | 117.1 | ||||
| 1817 | I | 25.2 | Very low | 27.5 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 72% | 0.723 | 71% | 0.711 | S | S | * | * | cis | -134.1 | 177.4 | -1.6 | -58.2 | -176.7 | 0 | 0 | 0 | 108.7 | ||||
| 1818 | V | 22.6 | Very low | 27.5 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -54.5 | 163.9 | 162.9 | -125.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1819 | P | 33.3 | Very low | 27.7 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 66% | 0.662 | 72% | 0.723 | S | S | * | * | -66.1 | 148.3 | -129.1 | 40 | -31.9 | 0 | 0 | 0 | 113.5 | |||||
| 1820 | D | 22 | Very low | 27.7 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | -163.1 | 173.6 | 64.9 | -122.5 | -38.8 | 0 | 0 | 0 | 113.6 | |||||
| 1821 | E | 22.2 | Very low | 27.7 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | trans | 59.7 | 141.5 | 162.1 | -67.3 | -157.7 | 142.7 | 0 | 0 | 123.1 | ||||
| 1822 | M | 26.7 | Very low | 27.4 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | trans | 58.3 | 104.6 | 148 | -66.3 | -75.5 | 179.7 | 0 | 0 | 121.9 | ||||
| 1823 | R | 29.7 | Very low | 27.1 | Very low | 225 Ų | 225 | 128 Ų | 128 | 85% | 0.849 | 70% | 0.696 | S | S | * | * | trans | 69.3 | 155.1 | 136.2 | -61.6 | 179.7 | -176.5 | -153.9 | -0 | 118.7 | ||||
| 1824 | S | 31.5 | Very low | 27 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | cis | -174.4 | 153.3 | -26.2 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1825 | S | 32.3 | Very low | 26.9 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | trans | 59.4 | 153.5 | 150.6 | 53.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1826 | S | 31.3 | Very low | 26.8 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | cis | -176.1 | 176.1 | -18.3 | 54.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1827 | S | 31 | Very low | 27 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | 61.5 | 140.2 | 149.8 | 46.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1828 | S | 26.7 | Very low | 27 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 79% | 0.79 | 70% | 0.698 | S | S | * | * | cis | 77.9 | 133.1 | 28.7 | 84.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 1829 | S | 26.3 | Very low | 27.3 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | cis | -161.3 | -178.1 | 3.7 | -152.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1830 | S | 26.1 | Very low | 27.2 | Very low | 72 Ų | 72 | 130.4 Ų | 130.4 | 50% | 0.503 | 71% | 0.71 | S | S | . | * | trans | 59.6 | 130.2 | 151 | 57.8 | 0 | 0 | 0 | 0 | 122.1 | E1806 | E1806-S1830 WeakPolarHBondContact OE2-CB 3.26Š| ||
| 1831 | R | 24.9 | Very low | 27.6 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | trans | 70.9 | 130.9 | 153.9 | -64.5 | -180 | -177.4 | -154.8 | -3.8 | 122.4 | E1806 M1807 | E1806-R1831 IonicContact OE1-CZ 2.67Å; E1806-R1831 VanDerWaalsContact OE1-CZ 3.28Å; E1806-R1831 IonicContact OE1-NE 2.69Å; E1806-R1831 PolarHBondContact OE1-NE 2.82Å; E1806-R1831 IonicContact OE1-NH2 2.72Å; E1806-R1831 PolarHBondContact OE1-NH2 3.37Å; E1806-R1831 IonicContact OE2-NE 3.63Å; M1807-R1831 HydrophobicContact SD-CG 4.28Å | ||
| 1832 | L | 23.4 | Very low | 27.9 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | 51.9 | 138.9 | 145 | -72.1 | 169.9 | 0 | 0 | 0 | 124 | ||||
| 1833 | S | 24.2 | Very low | 28.1 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | trans | 55.8 | 115.4 | 150.5 | 49.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1834 | N | 27.6 | Very low | 28 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | trans | 30.2 | 134.3 | 130.8 | -58.4 | -4.7 | 0 | 0 | 0 | 121.5 | ||||
| 1835 | L | 26.2 | Very low | 27.8 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | trans | 177.4 | 144.9 | 141.7 | -93.2 | 158.1 | 0 | 0 | 0 | 105.8 | ||||
| 1836 | E | 24.2 | Very low | 27.6 | Very low | 145 Ų | 145 | 132 Ų | 132 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | cis | -162 | 176.3 | -1.5 | -165.5 | 166.2 | -142.3 | 0 | 0 | 111.4 | ||||
| 1837 | L | 30.7 | Very low | 27.4 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | 112 | 96.7 | 151.6 | -63.3 | 175.1 | 0 | 0 | 0 | 118 | ||||
| 1838 | Q | 25.3 | Very low | 27.2 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 36% | 0.364 | 73% | 0.726 | S | S | . | * | trans | -76 | 171.8 | 152.6 | -70 | -125.5 | -79 | 0 | 0 | 112.1 | H2564 M2565 | Q1838-H2564 PolarHBondContact NE2-O 3.35Å; Q1838-M2565 HydrophobicContact CG-CB 3.92Å; Q1838-M2565 HydrophobicContact CG-CG 4.21Å; Q1838-M2565 VanDerWaalsContact OE1-N 3.09Å | ||
| 1839 | F | 27.1 | Very low | 27.2 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | 176.5 | 156.6 | 113.2 | -103.1 | -69.7 | 0 | 0 | 0 | 112.8 | |||||
| 1840 | S | 32.1 | Very low | 27.3 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 62.9 | 131.9 | 167.8 | 70.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1841 | S | 30.4 | Very low | 27.3 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | cis | 66.3 | 106.5 | -3.5 | -61.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1842 | Y | 29.3 | Very low | 27.4 | Very low | 206 Ų | 206 | 139.9 Ų | 139.9 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -172.1 | 146.9 | 130.3 | -99.8 | -46.4 | 0 | 0 | 0 | 109.4 | ||||
| 1843 | K | 29.9 | Very low | 27.6 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | cis | -156.3 | 139.3 | 11.4 | -156.6 | 141.8 | -170.1 | 166.5 | 0 | 115.1 | ||||
| 1844 | Q | 27.2 | Very low | 27.7 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | 63.5 | 132.4 | 151 | -77.1 | 167.3 | -22.9 | 0 | 0 | 122.4 | ||||
| 1845 | G | 27 | Very low | 27.7 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 165.6 | 72.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1846 | F | 29.5 | Very low | 27.7 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | trans | 51.6 | 101.5 | 159.5 | -85 | -96.4 | 0 | 0 | 0 | 123.5 | ||||
| 1847 | K | 27 | Very low | 27.7 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | 61.6 | 128.6 | 125.6 | -68.3 | -167.2 | 175.9 | -175.3 | 0 | 125.1 | |||||
| 1848 | S | 27 | Very low | 27.6 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | 96.6 | 104 | 127.4 | 50.8 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1849 | Q | 26.6 | Very low | 27.6 | Very low | 182 Ų | 182 | 135.7 Ų | 135.7 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | 103.8 | 121.2 | 124 | -79.1 | 179.1 | -28.9 | 0 | 0 | 123.3 | |||||
| 1850 | S | 28.2 | Very low | 27.5 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 67 | 148.4 | 145.6 | 50.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1851 | L | 24.8 | Very low | 27.5 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 94% | 0.942 | 78% | 0.777 | S | S | * | * | cis | -179.2 | 164.3 | -35.2 | -114.2 | 165.6 | 0 | 0 | 0 | 109.6 | ||||
| 1852 | G | 27.9 | Very low | 27.7 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 115.7 | 146.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1853 | S | 27.4 | Very low | 27.7 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -161.9 | -177.7 | -156.7 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1854 | D | 26.7 | Very low | 27.5 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 67.1 | 173.5 | 153.6 | -59.8 | -42.8 | 0 | 0 | 0 | 119.2 | ||||
| 1855 | S | 26.9 | Very low | 27.2 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -151 | -106.7 | -38.5 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1856 | T | 26.2 | Very low | 27 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -141.6 | 162.3 | -156 | 52 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1857 | V | 23.9 | Very low | 27 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | trans | 74 | 163.6 | 158.5 | 166.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1858 | C | 29.5 | Very low | 26.9 | Very low | 108 Ų | 108 | 128 Ų | 128 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | trans | -105.4 | 164.8 | -171.2 | -64.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1859 | T | 26.1 | Very low | 26.8 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | 76.1 | 124.3 | 156.1 | 38.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1860 | H | 24.7 | Very low | 26.9 | Very low | 177 Ų | 177 | 122.7 Ų | 122.7 | 82% | 0.819 | 74% | 0.744 | S | S | * | * | trans | 65.1 | 81.5 | 150.1 | -60.7 | -57.3 | 0 | 0 | 0 | 120.8 | ||||
| 1861 | S | 30.9 | Very low | 27 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 88% | 0.881 | 75% | 0.75 | S | S | * | * | -171.3 | 163 | 116 | 34.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1862 | G | 34.8 | Very low | 27 | Very low | 70 Ų | 70 | 121.9 Ų | 121.9 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 83.1 | 65.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1863 | E | 30 | Very low | 27 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | 24.1 | 135.9 | 110 | -73.6 | -176.7 | 126 | 0 | 0 | 118.4 | |||||
| 1864 | L | 24.7 | Very low | 27.1 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | 45 | 123.6 | 94.3 | -44.8 | 171.9 | 0 | 0 | 0 | 113.3 | |||||
| 1865 | K | 22.6 | Very low | 27.1 | Very low | 135 Ų | 135 | 123 Ų | 123 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | cis | -150.7 | 152.2 | -2 | -117.2 | -178.4 | -178.7 | -115.9 | 0 | 108.3 | ||||
| 1866 | E | 22.2 | Very low | 26.9 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 52% | 0.519 | 75% | 0.754 | S | S | . | * | 31 | 107.1 | 102 | -55.7 | 177.8 | 153 | 0 | 0 | 114.1 | |||||
| 1867 | T | 29.8 | Very low | 26.8 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | 65.1 | -172.6 | 143.4 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1868 | E | 23.6 | Very low | 26.8 | Very low | 171 Ų | 171 | 121.7 Ų | 121.7 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | cis | -113 | 148.1 | 12 | -76.7 | -179.2 | 144 | 0 | 0 | 110.7 | ||||
| 1869 | A | 26.4 | Very low | 26.4 | Very low | 92 Ų | 92 | 121.2 Ų | 121.2 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | 60.8 | 161.2 | 71.2 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 1870 | A | 27.7 | Very low | 26.3 | Very low | 79 Ų | 79 | 122.5 Ų | 122.5 | 65% | 0.653 | 74% | 0.74 | S | S | * | * | cis | -114.2 | -173 | 31.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1871 | E | 30.2 | Very low | 26.1 | Very low | 187 Ų | 187 | 120.2 Ų | 120.2 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | cis | -146.8 | 162.2 | 16.5 | -150.8 | 135.3 | -120.9 | 0 | 0 | 115 | ||||
| 1872 | A | 25.5 | Very low | 25.8 | Very low | 84 Ų | 84 | 117.7 Ų | 117.7 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | trans | -85.9 | -157.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1873 | L | 27.9 | Very low | 25.2 | Very low | 173 Ų | 173 | 122.4 Ų | 122.4 | 91% | 0.906 | 72% | 0.72 | S | S | * | * | trans | 78.8 | 130.1 | 178.7 | -51.5 | 171.6 | 0 | 0 | 0 | 114.2 | ||||
| 1874 | A | 28.5 | Very low | 24.8 | Very low | 96 Ų | 96 | 119.4 Ų | 119.4 | 79% | 0.793 | 72% | 0.717 | S | S | * | * | cis | -162.1 | 169 | -11.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1875 | G | 26.5 | Very low | 24.7 | Very low | 64 Ų | 64 | 118 Ų | 118 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | trans | 114.1 | 112.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1876 | L | 23.8 | Very low | 24.8 | Very low | 164 Ų | 164 | 117.3 Ų | 117.3 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | 44.3 | 95.5 | 121 | -62.5 | 169.7 | 0 | 0 | 0 | 116.2 | |||||
| 1877 | S | 23.1 | Very low | 24.7 | Very low | 97 Ų | 97 | 117.3 Ų | 117.3 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | 87.3 | 163.3 | 71.4 | 70.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 1878 | A | 23.7 | Very low | 24.4 | Very low | 79 Ų | 79 | 119.4 Ų | 119.4 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | trans | 68.9 | 112.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1879 | S | 22.8 | Very low | 24.4 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | 80.9 | 155 | 120.2 | -69.1 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1880 | L | 22.2 | Very low | 24.1 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | 41.1 | 125.3 | 133.1 | -58.1 | 169.6 | 0 | 0 | 0 | 117.4 | ||||
| 1881 | N | 22.1 | Very low | 23.8 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | cis | -171.7 | 172.3 | 8.4 | -141 | -4.8 | 0 | 0 | 0 | 112 | ||||
| 1882 | S | 23 | Very low | 23.6 | Very low | 72 Ų | 72 | 124.8 Ų | 124.8 | 50% | 0.503 | 73% | 0.734 | S | S | . | * | trans | 21.8 | 154.7 | 136.9 | 79.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1883 | Q | 23.1 | Very low | 23.5 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | 77.3 | 110.9 | 160.8 | -60.9 | 172.7 | 22 | 0 | 0 | 113.4 | ||||
| 1884 | S | 21.5 | Very low | 23.3 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | 62.9 | 133.1 | 61 | 92.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1885 | S | 21.9 | Very low | 23.1 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | cis | -165.2 | -150.5 | 20.7 | 49.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1886 | V | 24.4 | Very low | 23 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | 68.2 | 93.7 | 168.7 | -171.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1887 | V | 21.2 | Very low | 23.2 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | 62.5 | 117.1 | 57.5 | -171.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1888 | Q | 22.8 | Very low | 23.4 | Very low | 171 Ų | 171 | 131.7 Ų | 131.7 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | trans | 61.2 | 107.3 | 161.4 | -68 | 162.9 | -2.2 | 0 | 0 | 118.8 | ||||
| 1889 | K | 23.3 | Very low | 23.4 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | -120.4 | 147.1 | 122.7 | -62.8 | -172.3 | 174.6 | 179.2 | 0 | 106.4 | |||||
| 1890 | Q | 21.3 | Very low | 23.6 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | cis | 61.6 | 147.8 | 42.4 | -56 | -159.3 | -74.6 | 0 | 0 | 112.3 | ||||
| 1891 | D | 21 | Very low | 23.7 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 65% | 0.647 | 75% | 0.749 | S | S | * | * | cis | -164.3 | 168.2 | -29.1 | -108.5 | -50.2 | 0 | 0 | 0 | 105 | ||||
| 1892 | L | 25.1 | Very low | 23.7 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 88% | 0.88 | 75% | 0.747 | S | S | * | * | trans | 68.9 | 152.5 | 171.7 | -57.8 | 155.7 | 0 | 0 | 0 | 115.1 | ||||
| 1893 | S | 25.1 | Very low | 23.8 | Very low | 92 Ų | 92 | 146.5 Ų | 146.5 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | cis | -158.7 | 148.4 | -10.3 | 44.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1894 | L | 23.4 | Very low | 23.9 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | trans | 39.7 | 126.4 | 145.5 | -68.5 | 152 | 0 | 0 | 0 | 118.9 | ||||
| 1895 | S | 24.4 | Very low | 24.2 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | -172.4 | 147.4 | 59.8 | 47.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1896 | S | 23.9 | Very low | 24.3 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 58.4 | 130.4 | 176.6 | 80.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1897 | V | 26.9 | Very low | 24.4 | Very low | 127 Ų | 127 | 153.1 Ų | 153.1 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | S | Bend | cis | -161 | 144.9 | 37.9 | 151.9 | 0 | 0 | 0 | 0 | 104.8 | ||
| 1898 | Y | 27.8 | Very low | 24.7 | Very low | 219 Ų | 219 | 152.9 Ų | 152.9 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | cis | -146.6 | 166.6 | -3.4 | -137 | -122.7 | 0 | 0 | 0 | 106.9 | ||||
| 1899 | N | 24.1 | Very low | 24.8 | Very low | 144 Ų | 144 | 151.7 Ų | 151.7 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -143.8 | 164.2 | -176.1 | -157.6 | -14.4 | 0 | 0 | 0 | 112.6 | ||||
| 1900 | R | 26.1 | Very low | 24.9 | Very low | 212 Ų | 212 | 149.7 Ų | 149.7 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | 79.8 | 120.7 | 168.3 | -65.8 | -174 | 169.5 | 176.5 | -2.1 | 120 | ||||
| 1901 | H | 25.4 | Very low | 25 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | 34.3 | 125.3 | 118.8 | -69.5 | -78.4 | 0 | 0 | 0 | 121.2 | |||||
| 1902 | S | 22.4 | Very low | 25.2 | Very low | 93 Ų | 93 | 149.6 Ų | 149.6 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | 29.2 | 122.2 | 116.7 | -47.7 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1903 | Y | 25.5 | Very low | 25.5 | Very low | 222 Ų | 222 | 145.2 Ų | 145.2 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | -164.2 | 177.1 | 99.9 | -112.1 | -78 | 0 | 0 | 0 | 112.3 | |||||
| 1904 | S | 23.9 | Very low | 25.7 | Very low | 80 Ų | 80 | 150.1 Ų | 150.1 | 56% | 0.559 | 78% | 0.78 | S | S | * | * | trans | -53 | 152.9 | 171 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1905 | N | 27.7 | Very low | 25.8 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | cis | -149.6 | 156 | 48.3 | -86.3 | -62.4 | 0 | 0 | 0 | 114.4 | ||||
| 1906 | F | 24.6 | Very low | 25.9 | Very low | 210 Ų | 210 | 147.4 Ų | 147.4 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -97.3 | 127.4 | 164.8 | -106 | -100.8 | 0 | 0 | 0 | 109.9 | ||||
| 1907 | K | 26 | Very low | 26.1 | Very low | 189 Ų | 189 | 147 Ų | 147 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -165.3 | 139.5 | 148.7 | -124.6 | -172.8 | 178.5 | -170.6 | 0 | 112 | ||||
| 1908 | T | 27 | Very low | 26.3 | Very low | 105 Ų | 105 | 151 Ų | 151 | 64% | 0.644 | 78% | 0.775 | S | S | * | * | trans | 48 | 111.8 | 156.5 | 46.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1909 | D | 24.9 | Very low | 26 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | 63.7 | 128.1 | 79.1 | -58.7 | -52.6 | 0 | 0 | 0 | 110.7 | |||||
| 1910 | I | 26.5 | Very low | 26.1 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | -154.4 | 138.7 | 58.2 | -83.1 | 178.4 | 0 | 0 | 0 | 112.3 | |||||
| 1911 | S | 24.1 | Very low | 26.1 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | 29.6 | 149.3 | 137.8 | 109.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1912 | F | 24.7 | Very low | 26.3 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | cis | -168.5 | 107.2 | -9.1 | -139 | -104.1 | 0 | 0 | 0 | 109.2 | L1915 | F1912-L1915 HydrophobicContact CE1-CD1 3.79Å; F1912-L1915 HydrophobicContact CZ-CD1 4.41Å | ||
| 1913 | G | 30.2 | Very low | 26.4 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -110.6 | 114.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1915 | G1913-L1915 PolarHBondContact O-N 2.83Å; G1913-L1915 VanDerWaalsContact O-N 3.08Å | ||
| 1914 | Q | 30.5 | Very low | 26.5 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | trans | -33.7 | 101.8 | 179.9 | -60 | 177.3 | 11.4 | 0 | 0 | 114 | ||||
| 1915 | L | 24.7 | Very low | 26.5 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | 62 | 42.3 | 59 | -99.8 | 173.5 | 0 | 0 | 0 | 116.3 | F1912 G1913 | F1912-L1915 HydrophobicContact CE1-CD1 3.79Å; F1912-L1915 HydrophobicContact CZ-CD1 4.41Å; G1913-L1915 PolarHBondContact O-N 2.83Å; G1913-L1915 VanDerWaalsContact O-N 3.08Å | |||
| 1916 | G | 26.4 | Very low | 26.5 | Very low | 78 Ų | 78 | 141.9 Ų | 141.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -74 | 129.4 | 141.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1917 | S | 29.6 | Very low | 26.6 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | S | Bend | cis | -147.3 | 134.4 | -5.7 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1918 | R | 29.1 | Very low | 26.8 | Very low | 212 Ų | 212 | 139.7 Ų | 139.7 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | 43 | 90.8 | 152.7 | -68.4 | 179.9 | 173 | 158.3 | -0.1 | 118.9 | ||||
| 1919 | S | 23.3 | Very low | 26.9 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | S | Bend | -79.3 | 160.4 | 115.9 | 62.5 | 0 | 0 | 0 | 0 | 109.5 | |||
| 1920 | N | 25 | Very low | 27 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | 68.3 | 116.3 | 178.2 | -56.1 | -31 | 0 | 0 | 0 | 117.9 | ||||
| 1921 | L | 27.2 | Very low | 27 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -125.6 | 92.3 | 132.4 | -163.9 | 96.1 | 0 | 0 | 0 | 108.3 | ||||
| 1922 | S | 28.3 | Very low | 27.1 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -146.4 | 52.7 | 168.6 | -162.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1923 | S | 25.2 | Very low | 27.1 | Very low | 73 Ų | 73 | 144.4 Ų | 144.4 | 51% | 0.51 | 79% | 0.792 | S | S | . | * | trans | -176.6 | 127.1 | -167.8 | 51.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1924 | K | 28.3 | Very low | 26.9 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | cis | -141.6 | 139.9 | 0.8 | -82.3 | 156.8 | -179.6 | 174.1 | 0 | 108.4 | ||||
| 1925 | I | 23.8 | Very low | 27 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | S | Bend | -81 | 141.3 | 129.9 | -72.8 | 178.4 | 0 | 0 | 0 | 105.3 | |||
| 1926 | M | 27.8 | Very low | 26.9 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -64.7 | 138.7 | 179.3 | -73.9 | 178.8 | 160.3 | 0 | 0 | 111.3 | ||
| 1927 | N | 26.6 | Very low | 26.9 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | 50.5 | 97.6 | 156.6 | -57.2 | -17.2 | 0 | 0 | 0 | 118.3 | ||||
| 1928 | Q | 30.7 | Very low | 27 | Very low | 209 Ų | 209 | 143.6 Ų | 143.6 | 98% | 0.977 | 79% | 0.786 | S | S | * | * | -158.7 | 170.9 | 124.8 | -110 | 154.4 | 73.1 | 0 | 0 | 112.3 | |||||
| 1929 | R | 27.7 | Very low | 26.7 | Very low | 223 Ų | 223 | 138.9 Ų | 138.9 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -111.5 | 156.2 | -157.2 | -94.8 | -174.7 | 179.3 | 127.6 | -2.8 | 114.3 | ||||
| 1930 | D | 27.9 | Very low | 26.7 | Very low | 134 Ų | 134 | 144 Ų | 144 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | 59.5 | 111.5 | 146.4 | -52.9 | -24.1 | 0 | 0 | 0 | 121.7 | ||||
| 1931 | V | 26.3 | Very low | 26.9 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | 27.6 | 115.7 | 130 | -163.2 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1932 | G | 26 | Very low | 26.7 | Very low | 75 Ų | 75 | 143.1 Ų | 143.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -156.8 | 144.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1933 | F | 24.5 | Very low | 26.4 | Very low | 208 Ų | 208 | 141.4 Ų | 141.4 | 91% | 0.912 | 77% | 0.771 | S | S | * | * | trans | -85.5 | 173 | -173.3 | -90 | -110.2 | 0 | 0 | 0 | 114.8 | ||||
| 1934 | S | 26.3 | Very low | 26.5 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -49.3 | 170.1 | 155.6 | -129.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1935 | P | 32.8 | Very low | 26.5 | Very low | 107 Ų | 107 | 142 Ų | 142 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | cis | -146.7 | -173.9 | 18 | 43.4 | -22.7 | 0 | 0 | 0 | 118 | ||||
| 1936 | C | 23.1 | Very low | 26.5 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | 54.6 | 131.6 | 144.5 | -77.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1937 | S | 25.9 | Very low | 26.3 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | 57.2 | 82.8 | 138 | 66.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1938 | T | 30.5 | Very low | 26.5 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 83% | 0.828 | 71% | 0.714 | S | S | * | * | -138.6 | 132.7 | 111.1 | 38.6 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 1939 | D | 23 | Very low | 26.2 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 60% | 0.599 | 69% | 0.691 | S | S | * | * | 69.1 | 118.4 | 54.6 | -166.1 | 36.5 | 0 | 0 | 0 | 112.7 | |||||
| 1940 | R | 23.8 | Very low | 26.3 | Very low | 213 Ų | 213 | 121.5 Ų | 121.5 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | trans | 64.3 | 150.6 | -174.9 | -55.2 | 142.6 | -151.6 | -121.5 | -1.5 | 113.9 | ||||
| 1941 | S | 28.6 | Very low | 26.4 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | cis | -154.3 | 143.7 | -0.2 | 30.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1942 | D | 24.4 | Very low | 26.4 | Very low | 161 Ų | 161 | 119.2 Ų | 119.2 | 86% | 0.861 | 67% | 0.67 | S | S | * | * | cis | 56.2 | 117.8 | 6.8 | -135.6 | 20.5 | 0 | 0 | 0 | 116.4 | ||||
| 1943 | S | 22.4 | Very low | 26.5 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 58% | 0.58 | 67% | 0.666 | S | S | * | * | trans | 64.1 | 152 | -150.3 | 79.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1944 | M | 26.6 | Very low | 26.5 | Very low | 126 Ų | 126 | 118 Ų | 118 | 62% | 0.621 | 66% | 0.66 | S | S | * | * | cis | -120.5 | 137.5 | 6.5 | -55.6 | 170 | 75.1 | 0 | 0 | 108.9 | F1946 | M1944-F1946 HydrophobicContact CE-CB 4.04Å; M1944-F1946 HydrophobicContact CE-CD1 3.82Å; M1944-F1946 HydrophobicContact CE-CD2 3.89Å; M1944-F1946 HydrophobicContact CE-CE1 4.25Å; M1944-F1946 HydrophobicContact CE-CE2 4.28Å; M1944-F1946 HydrophobicContact CE-CG 3.69Å; M1944-F1946 HydrophobicContact CE-CZ 4.47Å | ||
| 1945 | H | 27.7 | Very low | 26.4 | Very low | 154 Ų | 154 | 120.1 Ų | 120.1 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | cis | 47.9 | 86.4 | 2.9 | -161.1 | 24.3 | 0 | 0 | 0 | 116.1 | S2102 | H1945-S2102 WeakPolarHBondContact CA-O 3.28Å; H1945-S2102 PolarHBondContact N-O 3.38Å | ||
| 1946 | F | 23.5 | Very low | 26.8 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 49% | 0.487 | 66% | 0.664 | S | S | . | * | trans | -127.7 | -153 | 149.7 | -129.9 | -142.9 | 0 | 0 | 0 | 105 | M1944 E2100 H2101 S2102 | M1944-F1946 HydrophobicContact CE-CB 4.04Å; M1944-F1946 HydrophobicContact CE-CD1 3.82Å; M1944-F1946 HydrophobicContact CE-CD2 3.89Å; M1944-F1946 HydrophobicContact CE-CE1 4.25Å; M1944-F1946 HydrophobicContact CE-CE2 4.28Å; M1944-F1946 HydrophobicContact CE-CG 3.69Å; M1944-F1946 HydrophobicContact CE-CZ 4.47Å; F1946-E2100 CarbonylContact C-O 3.54Å; F1946-E2100 WeakPolarHBondContact CB-O 3.36Å; F1946-E2100 HydrophobicContact CD1-CB 3.88Å; F1946-E2100 WeakPolarHBondContact CD1-O 3.32Å; F1946-E2100 HydrophobicContact CE1-CB 4.11Å; F1946-E2100 WeakPolarHBondContact CG-O 3.26Å; F1946-H2101 CarbonylContact C-O 3.33Å; F1946-H2101 WeakPolarHBondContact CA-O 3.29Å; F1946-H2101 WeakPolarHBondContact CB-O 3.28Å; F1946-H2101 PolarHBondContact N-O 2.84Å; F1946-H2101 VanDerWaalsContact N-O 3.15Å; F1946-S2102 PolarHBondContact N-O 3.48Å | ||
| 1947 | N | 25.1 | Very low | 27.4 | Very low | 69 Ų | 69 | 118.9 Ų | 118.9 | 37% | 0.369 | 66% | 0.655 | S | S | . | * | B | Isolated β-bridge | trans | -105 | -159.3 | -159.9 | -39.1 | -117.2 | 0 | 0 | 0 | 112.6 | E2100 H2101 S2102 | N1947-E2100 PolarHBondContact N-O 2.86Å; N1947-E2100 PolarHBondContact ND2-N 2.81Å; N1947-E2100 VanDerWaalsContact ND2-N 3.11Å; N1947-E2100 PolarHBondContact ND2-O 3.22Å; N1947-H2101 CarbonylContact O-C 3.47Å; N1947-H2101 WeakPolarHBondContact O-CA 3.28Å; N1947-H2101 PolarHBondContact O-N 2.73Å; N1947-H2101 VanDerWaalsContact O-N 3.13Å; N1947-S2102 PolarHBondContact O-N 3.32Å |
| 1948 | K | 29.5 | Very low | 27.5 | Very low | 89 Ų | 89 | 119 Ų | 119 | 39% | 0.387 | 65% | 0.647 | S | S | . | * | cis | -127.4 | 138.1 | 19.5 | -60.9 | -174.1 | 169.6 | -145.2 | 0 | 109.8 | M2099 E2100 | K1948-M2099 HydrophobicContact CB-CG 4.15Å; K1948-M2099 HydrophobicContact CD-CE 3.7Å; K1948-M2099 HydrophobicContact CD-CG 3.54Å; K1948-M2099 HydrophobicContact CD-SD 4.3Å; K1948-M2099 WeakPolarHBondContact CE-O 3.23Å; K1948-M2099 HydrophobicContact CG-CG 3.69Å; K1948-M2099 PolarHBondContact NZ-O 3.21Å; K1948-E2100 VanDerWaalsContact CE-CA 3.47Å; K1948-E2100 WeakPolarHBondContact CE-OE1 3.26Å; K1948-E2100 IonicContact NZ-OE1 3.55Å; K1948-E2100 PolarHBondContact NZ-OE1 2.74Å | ||
| 1949 | L | 24.3 | Very low | 27.4 | Very low | 92 Ų | 92 | 119.8 Ų | 119.8 | 48% | 0.482 | 64% | 0.641 | S | S | . | * | 40.5 | 107.9 | 84.4 | -77.9 | 164 | 0 | 0 | 0 | 112.3 | M2099 | L1949-M2099 HydrophobicContact CB-CG 4.14Å; L1949-M2099 HydrophobicContact CD1-CB 3.73Å; L1949-M2099 HydrophobicContact CD1-CG 3.95Å | |||
| 1950 | H | 30.4 | Very low | 27.6 | Very low | 112 Ų | 112 | 118.3 Ų | 118.3 | 52% | 0.519 | 64% | 0.636 | S | S | . | * | -160.4 | 172.5 | 79.1 | -96.9 | -82.3 | 0 | 0 | 0 | 114.2 | M2099 | H1950-M2099 VanDerWaalsContact CD2-CE 3.48Å; H1950-M2099 WeakPolarHBondContact CD2-CE 3.5Å; H1950-M2099 WeakPolarHBondContact NE2-CE 3.14Å | |||
| 1951 | H | 29.3 | Very low | 27.8 | Very low | 157 Ų | 157 | 117.9 Ų | 117.9 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | trans | 7.6 | 117.2 | 156.9 | -55.2 | -61.6 | 0 | 0 | 0 | 119 | ||||
| 1952 | G | 27.6 | Very low | 27.8 | Very low | 71 Ų | 71 | 117.8 Ų | 117.8 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | -67 | 150.6 | 127 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 1953 | P | 27.8 | Very low | 27.8 | Very low | 106 Ų | 106 | 116.7 Ų | 116.7 | 69% | 0.688 | 62% | 0.62 | S | S | * | * | -135.4 | 157.3 | 106.6 | 39.3 | -31.2 | 0 | 0 | 0 | 113.7 | |||||
| 1954 | L | 23.7 | Very low | 27.8 | Very low | 152 Ų | 152 | 117.8 Ų | 117.8 | 80% | 0.796 | 63% | 0.626 | S | S | * | * | trans | 47.1 | 132 | 136.7 | -64 | 172.1 | 0 | 0 | 0 | 120.8 | ||||
| 1955 | L | 25 | Very low | 27.6 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 79% | 0.791 | 63% | 0.634 | S | S | * | * | trans | 70.6 | 83.8 | 144.4 | -60.9 | 164.8 | 0 | 0 | 0 | 118 | ||||
| 1956 | S | 40.5 | Very low | 27.4 | Very low | 106 Ų | 106 | 116.6 Ų | 116.6 | 74% | 0.741 | 63% | 0.631 | S | S | * | * | -50.3 | 144.1 | 120 | -179 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1957 | P | 37.1 | Very low | 27.5 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 58% | 0.578 | 64% | 0.639 | S | S | * | * | cis | -147.1 | -154.8 | 39 | 30.7 | -3.7 | 0 | 0 | 0 | 114.9 | ||||
| 1958 | N | 26.9 | Very low | 27.4 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 60% | 0.599 | 66% | 0.659 | S | S | * | * | trans | 101.7 | 150.7 | 149.1 | -61.5 | -28.5 | 0 | 0 | 0 | 117.4 | ||||
| 1959 | H | 29.3 | Very low | 27.1 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | cis | -122.9 | 127.1 | 10.8 | -100.5 | -72.9 | 0 | 0 | 0 | 111.5 | ||||
| 1960 | T | 26.1 | Very low | 27.1 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 50% | 0.503 | 69% | 0.691 | S | S | . | * | 55.7 | 143.3 | 95.8 | 71.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1961 | R | 27.7 | Very low | 26.7 | Very low | 203 Ų | 203 | 129.4 Ų | 129.4 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | -160.2 | 161.1 | 57.1 | -78.5 | -168.7 | 125.1 | 100.2 | 3.7 | 110.6 | |||||
| 1962 | D | 28.1 | Very low | 26.3 | Very low | 97 Ų | 97 | 126 Ų | 126 | 52% | 0.519 | 70% | 0.7 | S | S | . | * | cis | -157.6 | 166.2 | -5.5 | -115.7 | -14.5 | 0 | 0 | 0 | 112 | ||||
| 1963 | L | 24.7 | Very low | 26.3 | Very low | 138 Ų | 138 | 132 Ų | 132 | 72% | 0.723 | 71% | 0.706 | S | S | * | * | trans | 44 | 138.1 | 141 | -61.7 | 166.9 | 0 | 0 | 0 | 123.2 | ||||
| 1964 | C | 22.8 | Very low | 26.4 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 72% | 0.716 | 71% | 0.709 | S | S | * | * | trans | 57 | 115.2 | 135.5 | -66.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1965 | N | 22.6 | Very low | 26.6 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | 83.9 | 136.6 | 72.1 | -170.1 | 26.5 | 0 | 0 | 0 | 113.3 | |||||
| 1966 | V | 24.1 | Very low | 26.5 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 66% | 0.655 | 69% | 0.691 | S | S | * | * | trans | 71.7 | 145.1 | 176.6 | -163.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 1967 | N | 25.8 | Very low | 25.8 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 65% | 0.652 | 68% | 0.678 | S | S | * | * | trans | 68.1 | 106.8 | 172.5 | -72.4 | -29.2 | 0 | 0 | 0 | 116.3 | ||||
| 1968 | R | 22.4 | Very low | 25.3 | Very low | 211 Ų | 211 | 128.8 Ų | 128.8 | 80% | 0.796 | 68% | 0.681 | S | S | * | * | 89.1 | 133.6 | 79.7 | -84.3 | -176.4 | -167.6 | -156.6 | 1.1 | 110.4 | |||||
| 1969 | L | 23.5 | Very low | 25.3 | Very low | 168 Ų | 168 | 129.5 Ų | 129.5 | 88% | 0.88 | 68% | 0.684 | S | S | * | * | 48.8 | 66.4 | 69 | -64.6 | 171.9 | 0 | 0 | 0 | 110.8 | |||||
| 1970 | G | 23.2 | Very low | 25.1 | Very low | 64 Ų | 64 | 130 Ų | 130 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | cis | 123.9 | -117.4 | 39.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1971 | Q | 22.3 | Very low | 25.1 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 83% | 0.832 | 69% | 0.692 | S | S | * | * | trans | 65.3 | 106.9 | 174.6 | -66.9 | -176.6 | -5.1 | 0 | 0 | 112.7 | ||||
| 1972 | S | 22.3 | Very low | 25 | Very low | 84 Ų | 84 | 126.7 Ų | 126.7 | 59% | 0.587 | 69% | 0.69 | S | S | * | * | 45.6 | 107.1 | 95.2 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1973 | K | 27.1 | Very low | 25.2 | Very low | 199 Ų | 199 | 131.4 Ų | 131.4 | 87% | 0.865 | 70% | 0.7 | S | S | * | * | -126.4 | 142.1 | 72.7 | -73.5 | 171 | -173.7 | 176.6 | 0 | 111.7 | |||||
| 1974 | I | 29.8 | Very low | 25.4 | Very low | 145 Ų | 145 | 132 Ų | 132 | 74% | 0.744 | 70% | 0.697 | S | S | * | * | cis | 49.8 | 96.4 | 12.2 | -55.1 | 179 | 0 | 0 | 0 | 111.9 | ||||
| 1975 | P | 27.5 | Very low | 25.6 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 61% | 0.61 | 70% | 0.703 | S | S | * | * | -139.1 | 153.2 | 92.6 | 35.6 | -21.2 | 0 | 0 | 0 | 115.6 | |||||
| 1976 | T | 22.8 | Very low | 25.7 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 61% | 0.613 | 71% | 0.707 | S | S | * | * | trans | 62.8 | 138 | 140.4 | 55.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1977 | T | 24.7 | Very low | 25.8 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 46% | 0.46 | 71% | 0.712 | S | S | . | * | cis | -167.3 | 163.5 | 2.9 | 13 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1978 | D | 26.9 | Very low | 26 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 65% | 0.647 | 72% | 0.719 | S | S | * | * | cis | -159.1 | -179.4 | -1.1 | -134.3 | -25.6 | 0 | 0 | 0 | 113.6 | ||||
| 1979 | L | 27.2 | Very low | 26.4 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 67% | 0.665 | 72% | 0.717 | S | S | * | * | trans | 60 | 102.5 | 148.6 | -97.8 | 64.3 | 0 | 0 | 0 | 122.7 | ||||
| 1980 | E | 25 | Very low | 26.7 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | 97 | 148.4 | 105.3 | -93.6 | -161.8 | 173 | 0 | 0 | 127.8 | |||||
| 1981 | T | 26.7 | Very low | 27.6 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | trans | 58 | 86.6 | 147.4 | 57.5 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1982 | T | 26.1 | Very low | 29.2 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | 69.7 | 125.2 | 126.2 | 73.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1983 | R | 31.6 | Very low | 31.3 | Very low | 196 Ų | 196 | 130.2 Ų | 130.2 | 74% | 0.74 | 69% | 0.687 | S | S | * | * | 174.8 | 103.1 | 93.1 | -89.8 | -174.1 | -175.5 | -166.2 | -0.8 | 114.9 | |||||
| 1984 | K | 29.6 | Very low | 33.8 | Very low | 151 Ų | 151 | 121.9 Ų | 121.9 | 66% | 0.657 | 65% | 0.65 | S | S | * | * | trans | 55.9 | 110.6 | 135.5 | -66.8 | 179.5 | 177.6 | 171.8 | 0 | 120.8 | ||||
| 1985 | T | 26 | Very low | 36.3 | Very low | 137 Ų | 137 | 120.2 Ų | 120.2 | 84% | 0.84 | 64% | 0.636 | S | S | * | * | trans | 68.4 | 102.5 | 132.9 | 59.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 1986 | S | 24.3 | Very low | 38.8 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 87% | 0.867 | 61% | 0.613 | S | S | * | * | trans | -135.7 | 143.1 | 144.9 | 64.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1987 | C | 27.7 | Very low | 41.5 | Very low | 113 Ų | 113 | 115.8 Ų | 115.8 | 76% | 0.764 | 61% | 0.606 | S | S | * | * | trans | -178.2 | 152.5 | -159.5 | 155.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1988 | L | 29 | Very low | 44.2 | Very low | 152 Ų | 152 | 112.8 Ų | 112.8 | 80% | 0.796 | 59% | 0.587 | S | S | * | * | cis | -165.8 | 152.4 | -24.9 | -89.2 | -173.4 | 0 | 0 | 0 | 104.9 | ||||
| 1989 | Q | 30.2 | Very low | 46.9 | Very low | 160 Ų | 160 | 109.3 Ų | 109.3 | 75% | 0.748 | 57% | 0.572 | S | S | * | * | cis | -150.6 | -146.7 | -15.5 | -159.3 | -131.4 | 97.1 | 0 | 0 | 107.8 | ||||
| 1990 | S | 31.2 | Very low | 49.2 | Very low | 81 Ų | 81 | 107.1 Ų | 107.1 | 57% | 0.566 | 57% | 0.572 | S | S | * | * | trans | -83.6 | 155.1 | 174.5 | -177.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1991 | T | 41.8 | Very low | 51.7 | Low | 119 Ų | 119 | 104 Ų | 104 | 73% | 0.73 | 56% | 0.558 | S | S | * | * | trans | -95.2 | 86.2 | 164 | 35.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1992 | R | 55.5 | Low | 54.3 | Low | 200 Ų | 200 | 99.3 Ų | 99.3 | 76% | 0.755 | 53% | 0.529 | S | S | * | . | trans | -71.5 | 152.3 | 164 | -70.6 | -175.7 | 173.7 | -174.7 | -2.2 | 110 | ||||
| 1993 | K | 67.4 | Low | 56.9 | Low | 64 Ų | 64 | 96.5 Ų | 96.5 | 28% | 0.278 | 51% | 0.505 | S | S | . | . | trans | -107 | 154.8 | 168.2 | -53.1 | -170.5 | -163.5 | -170.9 | 0 | 109.6 | Y1995 S2039 Y2043 | K1993-Y1995 HydrophobicContact CB-CE2 3.9Å; K1993-S2039 PolarHBondContact NZ-O 3.38Å; K1993-Y2043 HydrophobicContact CD-CD1 4.32Å; K1993-Y2043 HydrophobicContact CD-CE1 3.93Å; K1993-Y2043 HydrophobicContact CD-CE2 4.32Å; K1993-Y2043 HydrophobicContact CG-CD1 4.33Å; K1993-Y2043 HydrophobicContact CG-CE1 4.29Å; K1993-Y2043 PolarHBondContact NZ-OH 2.84Å | ||
| 1994 | F | 79.1 | Confident | 59.1 | Low | 23 Ų | 23 | 92 Ų | 92 | 10% | 0.101 | 49% | 0.491 | C | S | . | . | B | Isolated β-bridge | trans | -93.9 | 135.8 | 176 | 179.6 | -96.5 | 0 | 0 | 0 | 110.6 | D1679 Y1680 F1683 F1996 A2032 G2041 A2042 | D1679-F1994 VanDerWaalsContact C-CE2 3.49Å; D1679-F1994 HydrophobicContact CB-CE2 3.85Å; D1679-F1994 HydrophobicContact CB-CZ 3.73Å; D1679-F1994 WeakPolarHBondContact O-CE2 3.16Å; Y1680-F1994 HydrophobicContact CD2-CB 4.17Å; Y1680-F1994 AromaticContact CD2-CD1 3.56Å; Y1680-F1994 HydrophobicContact CD2-CD1 3.56Å; Y1680-F1994 HydrophobicContact CD2-CE1 4.01Å; Y1680-F1994 AromaticContact CD2-CG 3.87Å; Y1680-F1994 HydrophobicContact CD2-CG 3.87Å; Y1680-F1994 HydrophobicContact CE2-CD1 4.48Å; Y1680-F1994 HydrophobicContact CG-CD1 4.17Å; Y1680-F1994 HydrophobicContact CG-CE1 4.16Å; F1683-F1994 HydrophobicContact CB-CD2 3.61Å; F1683-F1994 HydrophobicContact CB-CE2 4.11Å; F1683-F1994 HydrophobicContact CB-CG 4.35Å; F1683-F1994 HydrophobicContact CD1-CB 3.5Å; F1683-F1994 VanDerWaalsContact CD1-CB 3.5Å; F1683-F1994 HydrophobicContact CD1-CD2 4.12Å; F1683-F1994 HydrophobicContact CD1-CG 4.03Å; F1683-F1994 HydrophobicContact CD2-CB 4.09Å; F1683-F1994 HydrophobicContact CD2-CD2 4.17Å; F1683-F1994 HydrophobicContact CE1-CB 3.52Å; F1683-F1994 HydrophobicContact CE2-CB 4.12Å; F1683-F1994 HydrophobicContact CG-CB 3.78Å; F1683-F1994 AromaticContact CG-CD2 3.7Å; F1683-F1994 HydrophobicContact CG-CD2 3.7Å; F1683-F1994 HydrophobicContact CG-CG 4.07Å; F1683-F1994 HydrophobicContact CZ-CB 3.85Å; F1994-F1996 HydrophobicContact CD1-CB 4.45Å; F1994-F1996 HydrophobicContact CE1-CB 3.57Å; F1994-F1996 HydrophobicContact CE1-CG 4.45Å; F1994-F1996 HydrophobicContact CZ-CB 3.83Å; F1994-F1996 AromaticContact CZ-CD2 4Å; F1994-F1996 HydrophobicContact CZ-CD2 4Å; F1994-F1996 HydrophobicContact CZ-CG 4.33Å; F1994-A2032 HydrophobicContact CD1-CB 3.8Å; F1994-A2032 HydrophobicContact CE1-CB 4.15Å; F1994-G2041 CarbonylContact O-C 3.48Å; F1994-G2041 VanDerWaalsContact O-C 3.3Å; F1994-G2041 WeakPolarHBondContact O-CA 3.14Å; F1994-A2042 HydrophobicContact CB-CB 4.28Å; F1994-A2042 HydrophobicContact CD1-CB 4.25Å; F1994-A2042 PolarHBondContact N-O 2.99Å; F1994-A2042 PolarHBondContact O-N 3.11Å |
| 1995 | Y | 81.4 | Confident | 61.7 | Low | 110 Ų | 110 | 86.8 Ų | 86.8 | 43% | 0.431 | 47% | 0.47 | S | S | . | . | trans | -132 | 131.4 | 175.5 | -66.8 | -93.8 | 0 | 0 | 0 | 106.9 | K1993 E2038 G2041 | K1993-Y1995 HydrophobicContact CB-CE2 3.9Å; Y1995-E2038 PolarHBondContact OH-O 3.46Å; Y1995-G2041 VanDerWaalsContact CZ-CA 3.4Å; Y1995-G2041 PolarHBondContact OH-N 3.1Å | ||
| 1996 | F | 81.3 | Confident | 64.4 | Low | 29 Ų | 29 | 80.3 Ų | 80.3 | 13% | 0.127 | 43% | 0.43 | C | S | . | . | trans | -137.6 | 117.1 | 177.9 | -168.5 | -77.3 | 0 | 0 | 0 | 109.2 | E1672 Q1675 A1676 D1679 F1994 L1998 A2032 S2033 | E1672-F1996 HydrophobicContact CG-CE1 4.14Å; Q1675-F1996 HydrophobicContact CB-CZ 4.29Å; Q1675-F1996 HydrophobicContact CG-CE2 4.26Å; Q1675-F1996 HydrophobicContact CG-CZ 4.19Å; A1676-F1996 HydrophobicContact CB-CB 4.38Å; A1676-F1996 HydrophobicContact CB-CD1 3.35Å; A1676-F1996 HydrophobicContact CB-CD2 4.21Å; A1676-F1996 HydrophobicContact CB-CE1 3.57Å; A1676-F1996 HydrophobicContact CB-CE2 4.37Å; A1676-F1996 HydrophobicContact CB-CG 3.71Å; A1676-F1996 HydrophobicContact CB-CZ 4.08Å; D1679-F1996 HydrophobicContact CB-CD2 4.28Å; D1679-F1996 HydrophobicContact CB-CE2 4.35Å; D1679-F1996 WeakPolarHBondContact OD2-CE2 3.47Å; F1994-F1996 HydrophobicContact CD1-CB 4.45Å; F1994-F1996 HydrophobicContact CE1-CB 3.57Å; F1994-F1996 HydrophobicContact CE1-CG 4.45Å; F1994-F1996 HydrophobicContact CZ-CB 3.83Å; F1994-F1996 AromaticContact CZ-CD2 4Å; F1994-F1996 HydrophobicContact CZ-CD2 4Å; F1994-F1996 HydrophobicContact CZ-CG 4.33Å; F1996-L1998 HydrophobicContact CD1-CD2 3.86Å; F1996-L1998 HydrophobicContact CD1-CG 4.45Å; F1996-L1998 HydrophobicContact CE1-CD2 4.01Å; F1996-L1998 PolarHBondContact O-N 3.16Å; F1996-A2032 HydrophobicContact CB-CB 4.49Å; F1996-A2032 PolarHBondContact N-O 3.31Å; F1996-A2032 CarbonylContact O-C 3.57Å; F1996-S2033 WeakPolarHBondContact O-CA 3.32Å | ||
| 1997 | P | 79.6 | Confident | 66.9 | Low | 73 Ų | 73 | 78.7 Ų | 78.7 | 47% | 0.474 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 121 | 179 | 30 | -33.7 | 0 | 0 | 0 | 110 | ||
| 1998 | L | 80.7 | Confident | 69.4 | Low | 11 Ų | 11 | 76.4 Ų | 76.4 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 141.5 | 167 | -63.8 | 179.3 | 0 | 0 | 0 | 110.4 | E1672 L1673 A1676 F1996 A2002 R2003 L2006 | E1672-L1998 HydrophobicContact CG-CD2 4.01Å; L1673-L1998 HydrophobicContact CD2-CD1 3.64Å; L1673-L1998 HydrophobicContact CD2-CD2 3.94Å; L1673-L1998 HydrophobicContact CD2-CG 4.45Å; A1676-L1998 HydrophobicContact CB-CD2 3.77Å; F1996-L1998 HydrophobicContact CD1-CD2 3.86Å; F1996-L1998 HydrophobicContact CD1-CG 4.45Å; F1996-L1998 HydrophobicContact CE1-CD2 4.01Å; F1996-L1998 PolarHBondContact O-N 3.16Å; L1998-A2002 HydrophobicContact CB-CB 4.11Å; L1998-A2002 HydrophobicContact CD2-CB 4.18Å; L1998-R2003 HydrophobicContact CB-CB 4.45Å; L1998-R2003 PolarHBondContact O-NH2 3.49Å; L1998-L2006 HydrophobicContact CD1-CD2 3.55Å |
| 1999 | S | 82.9 | Confident | 71.9 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 34% | 0.336 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 163.5 | 165.6 | 69.9 | 0 | 0 | 0 | 0 | 111.7 | E1672 E2001 A2002 R2003 | E1672-S1999 PolarHBondContact OE1-N 3.37Å; E1672-S1999 WeakPolarHBondContact OE2-CB 3.25Å; E1672-S1999 PolarHBondContact OE2-N 2.91Å; E1672-S1999 PolarHBondContact OE2-OG 2.94Å; S1999-E2001 VanDerWaalsContact C-N 3.25Å; S1999-E2001 PolarHBondContact O-N 3.38Å; S1999-A2002 PolarHBondContact O-N 3.19Å; S1999-A2002 WeakPolarHBondContact OG-CB 3.45Å; S1999-A2002 PolarHBondContact OG-N 2.89Å; S1999-R2003 WeakPolarHBondContact O-CB 3.42Å; S1999-R2003 PolarHBondContact O-N 2.87Å |
| 2000 | A | 75.2 | Confident | 74.2 | Confident | 81 Ų | 81 | 61.9 Ų | 61.9 | 67% | 0.669 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.7 | -34.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K2004 | A2000-K2004 VanDerWaalsContact O-CB 3.26Å; A2000-K2004 WeakPolarHBondContact O-CB 3.47Å; A2000-K2004 PolarHBondContact O-N 3.48Å |
| 2001 | E | 79.2 | Confident | 76.2 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -79.2 | -40.8 | -179.5 | -166.2 | 55.4 | -140.6 | 0 | 0 | 111.7 | S1999 R2003 K2004 I2005 | S1999-E2001 VanDerWaalsContact C-N 3.25Å; S1999-E2001 PolarHBondContact O-N 3.38Å; E2001-R2003 VanDerWaalsContact C-N 3.33Å; E2001-R2003 PolarHBondContact O-N 3.43Å; E2001-K2004 PolarHBondContact O-N 2.8Å; E2001-K2004 IonicContact OE1-NZ 3.82Å; E2001-K2004 PolarHBondContact OE1-NZ 2.78Å; E2001-K2004 IonicContact OE2-NZ 2.84Å; E2001-K2004 PolarHBondContact OE2-NZ 3.12Å; E2001-I2005 HydrophobicContact CG-CD1 4.27Å; E2001-I2005 WeakPolarHBondContact O-CG1 3.32Å; E2001-I2005 PolarHBondContact O-N 2.76Å |
| 2002 | A | 81.5 | Confident | 78 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -41.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1672 L1673 L1998 S1999 L2006 | E1672-A2002 HydrophobicContact CB-CB 4.48Å; E1672-A2002 WeakPolarHBondContact OE2-CB 3.2Å; L1673-A2002 HydrophobicContact CD2-CB 4.18Å; L1673-A2002 HydrophobicContact CG-CB 4.01Å; L1998-A2002 HydrophobicContact CB-CB 4.11Å; L1998-A2002 HydrophobicContact CD2-CB 4.18Å; S1999-A2002 PolarHBondContact O-N 3.19Å; S1999-A2002 WeakPolarHBondContact OG-CB 3.45Å; S1999-A2002 PolarHBondContact OG-N 2.89Å; A2002-L2006 VanDerWaalsContact O-CB 3.27Å; A2002-L2006 WeakPolarHBondContact O-CB 3.47Å; A2002-L2006 PolarHBondContact O-N 3.1Å |
| 2003 | R | 80.3 | Confident | 79 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 22% | 0.223 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.7 | -38.4 | 174.6 | -166.8 | -178.5 | -64.4 | 111.9 | 6.6 | 112 | L1998 S1999 E2001 L2006 E2007 S2033 | L1998-R2003 HydrophobicContact CB-CB 4.45Å; L1998-R2003 PolarHBondContact O-NH2 3.49Å; S1999-R2003 WeakPolarHBondContact O-CB 3.42Å; S1999-R2003 PolarHBondContact O-N 2.87Å; E2001-R2003 VanDerWaalsContact C-N 3.33Å; E2001-R2003 PolarHBondContact O-N 3.43Å; R2003-L2006 CarbonylContact O-C 3.45Å; R2003-L2006 PolarHBondContact O-N 3.41Å; R2003-E2007 WeakPolarHBondContact O-CB 3.38Å; R2003-E2007 WeakPolarHBondContact O-CG 3.41Å; R2003-E2007 PolarHBondContact O-N 3.41Å; R2003-S2033 PolarHBondContact NE-OG 3.49Å; R2003-S2033 VanDerWaalsContact NE-OG 3.12Å; R2003-S2033 PolarHBondContact NH2-O 2.96Å |
| 2004 | K | 77.9 | Confident | 79.1 | Confident | 100 Ų | 100 | 43 Ų | 43 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 175.9 | 168.4 | 164.1 | 151 | -86.2 | 0 | 112.6 | A2000 E2001 L2006 E2007 N2008 | A2000-K2004 VanDerWaalsContact O-CB 3.26Å; A2000-K2004 WeakPolarHBondContact O-CB 3.47Å; A2000-K2004 PolarHBondContact O-N 3.48Å; E2001-K2004 PolarHBondContact O-N 2.8Å; E2001-K2004 IonicContact OE1-NZ 3.82Å; E2001-K2004 PolarHBondContact OE1-NZ 2.78Å; E2001-K2004 IonicContact OE2-NZ 2.84Å; E2001-K2004 PolarHBondContact OE2-NZ 3.12Å; K2004-L2006 VanDerWaalsContact C-N 3.31Å; K2004-L2006 PolarHBondContact O-N 2.78Å; K2004-E2007 PolarHBondContact O-N 3.49Å; K2004-N2008 PolarHBondContact O-N 3.37Å; K2004-N2008 PolarHBondContact O-OD1 2.61Å |
| 2005 | I | 83.4 | Confident | 78.7 | Confident | 42 Ų | 42 | 42 Ų | 42 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 171.6 | -68.7 | 162.1 | 0 | 0 | 0 | 109.9 | L1673 E2001 N2008 L2009 | L1673-I2005 HydrophobicContact CD1-CB 4.2Å; L1673-I2005 HydrophobicContact CD1-CG2 3.74Å; E2001-I2005 HydrophobicContact CG-CD1 4.27Å; E2001-I2005 WeakPolarHBondContact O-CG1 3.32Å; E2001-I2005 PolarHBondContact O-N 2.76Å; I2005-N2008 PolarHBondContact O-N 3.38Å; I2005-L2009 HydrophobicContact CG2-CD1 4.14Å; I2005-L2009 HydrophobicContact CG2-CG 4.49Å; I2005-L2009 WeakPolarHBondContact O-CG 3.41Å; I2005-L2009 PolarHBondContact O-N 3.1Å |
| 2006 | L | 82.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -35.9 | 178.6 | -175.3 | 56.8 | 0 | 0 | 0 | 113.3 | L1673 L1998 A2002 R2003 K2004 I2010 L2026 L2029 H2030 | L1673-L2006 HydrophobicContact CD2-CB 4.14Å; L1673-L2006 HydrophobicContact CD2-CD2 4.13Å; L1998-L2006 HydrophobicContact CD1-CD2 3.55Å; A2002-L2006 VanDerWaalsContact O-CB 3.27Å; A2002-L2006 WeakPolarHBondContact O-CB 3.47Å; A2002-L2006 PolarHBondContact O-N 3.1Å; R2003-L2006 CarbonylContact O-C 3.45Å; R2003-L2006 PolarHBondContact O-N 3.41Å; K2004-L2006 VanDerWaalsContact C-N 3.31Å; K2004-L2006 PolarHBondContact O-N 2.78Å; L2006-I2010 HydrophobicContact CD1-CD1 4.44Å; L2006-I2010 HydrophobicContact CG-CD1 4.27Å; L2006-I2010 VanDerWaalsContact O-CB 3.25Å; L2006-I2010 WeakPolarHBondContact O-CB 3.49Å; L2006-I2010 VanDerWaalsContact O-CG1 3.28Å; L2006-I2010 WeakPolarHBondContact O-CG1 3.47Å; L2006-I2010 PolarHBondContact O-N 2.84Å; L2006-L2026 HydrophobicContact CD1-CB 3.92Å; L2006-L2026 HydrophobicContact CD1-CD2 3.67Å; L2006-L2026 HydrophobicContact CD1-CG 4.39Å; L2006-L2029 HydrophobicContact CD2-CB 3.89Å; L2006-H2030 HydrophobicContact CD2-CB 3.92Å; L2006-H2030 HydrophobicContact CG-CB 4.19Å |
| 2007 | E | 76.9 | Confident | 77.9 | Confident | 91 Ų | 91 | 35.6 Ų | 35.6 | 43% | 0.425 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.9 | -38.1 | 173.1 | -80.3 | 178 | -148.4 | 0 | 0 | 112.1 | R2003 K2004 I2010 M2011 H2030 | R2003-E2007 WeakPolarHBondContact O-CB 3.38Å; R2003-E2007 WeakPolarHBondContact O-CG 3.41Å; R2003-E2007 PolarHBondContact O-N 3.41Å; K2004-E2007 PolarHBondContact O-N 3.49Å; E2007-I2010 PolarHBondContact O-N 3.24Å; E2007-M2011 WeakPolarHBondContact O-CB 3.16Å; E2007-M2011 WeakPolarHBondContact O-CG 3.31Å; E2007-M2011 PolarHBondContact O-N 3.12Å; E2007-H2030 VanDerWaalsContact CG-CE1 3.47Å; E2007-H2030 WeakPolarHBondContact CG-CE1 3.38Å; E2007-H2030 IonicContact OE1-CE1 3.1Å; E2007-H2030 PolarHBondContact OE1-CE1 2.99Å |
| 2008 | N | 79.5 | Confident | 77.5 | Confident | 65 Ų | 65 | 32.2 Ų | 32.2 | 35% | 0.348 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.2 | -48.1 | 173.6 | -73.6 | 4.2 | 0 | 0 | 0 | 111.5 | H1526 K2004 I2005 I2010 M2011 E2012 | H1526-N2008 PolarHBondContact CE1-OD1 2.77Å; K2004-N2008 PolarHBondContact O-N 3.37Å; K2004-N2008 PolarHBondContact O-OD1 2.61Å; I2005-N2008 PolarHBondContact O-N 3.38Å; N2008-I2010 VanDerWaalsContact C-N 3.29Å; N2008-I2010 PolarHBondContact O-N 3.07Å; N2008-M2011 WeakPolarHBondContact O-CA 3.24Å; N2008-M2011 VanDerWaalsContact O-CB 3.32Å; N2008-M2011 WeakPolarHBondContact O-CB 3.07Å; N2008-M2011 PolarHBondContact O-N 3.42Å; N2008-E2012 PolarHBondContact O-N 2.76Å |
| 2009 | L | 82.8 | Confident | 77.1 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -40.8 | 173.7 | -70.5 | 173.9 | 0 | 0 | 0 | 111.3 | F1659 I1663 I2005 M2011 A2013 L2026 | F1659-L2009 HydrophobicContact CE2-CB 4.5Å; F1659-L2009 HydrophobicContact CE2-CD2 3.74Å; F1659-L2009 HydrophobicContact CZ-CB 4.32Å; F1659-L2009 HydrophobicContact CZ-CD2 4.15Å; F1659-L2009 WeakPolarHBondContact CZ-O 3.13Å; I1663-L2009 HydrophobicContact CG1-CD2 4.42Å; I2005-L2009 HydrophobicContact CG2-CD1 4.14Å; I2005-L2009 HydrophobicContact CG2-CG 4.49Å; I2005-L2009 WeakPolarHBondContact O-CG 3.41Å; I2005-L2009 PolarHBondContact O-N 3.1Å; L2009-M2011 VanDerWaalsContact C-N 3.27Å; L2009-M2011 PolarHBondContact O-N 2.85Å; L2009-A2013 WeakPolarHBondContact O-CB 3.5Å; L2009-A2013 PolarHBondContact O-N 3.36Å; L2009-L2026 HydrophobicContact CB-CD1 4.04Å; L2009-L2026 HydrophobicContact CB-CD2 4.49Å; L2009-L2026 HydrophobicContact CD1-CD2 4.31Å |
| 2010 | I | 77.2 | Confident | 76.7 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -35.5 | 173.2 | -83.6 | 171.7 | 0 | 0 | 0 | 112.1 | L2006 E2007 N2008 C2014 L2026 W2027 H2030 | L2006-I2010 HydrophobicContact CD1-CD1 4.44Å; L2006-I2010 HydrophobicContact CG-CD1 4.27Å; L2006-I2010 VanDerWaalsContact O-CB 3.25Å; L2006-I2010 WeakPolarHBondContact O-CB 3.49Å; L2006-I2010 VanDerWaalsContact O-CG1 3.28Å; L2006-I2010 WeakPolarHBondContact O-CG1 3.47Å; L2006-I2010 PolarHBondContact O-N 2.84Å; E2007-I2010 PolarHBondContact O-N 3.24Å; N2008-I2010 VanDerWaalsContact C-N 3.29Å; N2008-I2010 PolarHBondContact O-N 3.07Å; I2010-C2014 VanDerWaalsContact O-CB 3.32Å; I2010-C2014 WeakPolarHBondContact O-CB 3.13Å; I2010-C2014 PolarHBondContact O-N 2.96Å; I2010-C2014 VanDerWaalsContact O-N 3.07Å; I2010-C2014 PolarHBondContact O-SG 2.93Å; I2010-L2026 HydrophobicContact CD1-CB 4.49Å; I2010-L2026 HydrophobicContact CG1-CB 3.89Å; I2010-W2027 HydrophobicContact CD1-CD2 4.12Å; I2010-W2027 HydrophobicContact CD1-CE3 4.36Å; I2010-W2027 HydrophobicContact CD1-CG 4.27Å; I2010-W2027 HydrophobicContact CG1-CD2 4.43Å; I2010-W2027 HydrophobicContact CG1-CG 4.38Å; I2010-W2027 HydrophobicContact CG2-CD2 4.22Å; I2010-W2027 VanDerWaalsContact CG2-CE2 3.45Å; I2010-W2027 HydrophobicContact CG2-CH2 3.94Å; I2010-W2027 HydrophobicContact CG2-CZ2 3.32Å; I2010-H2030 HydrophobicContact CD1-CB 3.37Å |
| 2011 | M | 74.6 | Confident | 76.4 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72 | -48.8 | 179.4 | -91.2 | -63 | -60 | 0 | 0 | 112.6 | M1525 H1526 R1529 E2007 N2008 L2009 A2013 C2014 L2015 | M1525-M2011 HydrophobicContact CB-CE 4.14Å; H1526-M2011 WeakPolarHBondContact NE2-CB 3.36Å; H1526-M2011 WeakPolarHBondContact NE2-CG 3.43Å; R1529-M2011 VanDerWaalsContact CD-CE 3.44Å; R1529-M2011 WeakPolarHBondContact CD-SD 3.33Å; R1529-M2011 PolarHBondContact NE-SD 3.45Å; R1529-M2011 PolarHBondContact NH2-SD 2.81Å; E2007-M2011 WeakPolarHBondContact O-CB 3.16Å; E2007-M2011 WeakPolarHBondContact O-CG 3.31Å; E2007-M2011 PolarHBondContact O-N 3.12Å; N2008-M2011 WeakPolarHBondContact O-CA 3.24Å; N2008-M2011 VanDerWaalsContact O-CB 3.32Å; N2008-M2011 WeakPolarHBondContact O-CB 3.07Å; N2008-M2011 PolarHBondContact O-N 3.42Å; L2009-M2011 VanDerWaalsContact C-N 3.27Å; L2009-M2011 PolarHBondContact O-N 2.85Å; M2011-A2013 VanDerWaalsContact C-N 3.33Å; M2011-A2013 PolarHBondContact O-N 3.01Å; M2011-C2014 WeakPolarHBondContact O-CB 3.22Å; M2011-C2014 PolarHBondContact O-N 2.86Å; M2011-C2014 VanDerWaalsContact O-N 3.08Å; M2011-L2015 HydrophobicContact CE-CD1 3.77Å; M2011-L2015 HydrophobicContact CE-CG 4.44Å; M2011-L2015 WeakPolarHBondContact O-CG 3.48Å; M2011-L2015 PolarHBondContact O-N 3.32Å |
| 2012 | E | 78.1 | Confident | 76.3 | Confident | 50 Ų | 50 | 27.5 Ų | 27.5 | 23% | 0.234 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.5 | -47.2 | 169.7 | -73.5 | 169.2 | -137.3 | 0 | 0 | 110.5 | F1659 H1662 N2008 C2014 L2015 L2016 | F1659-E2012 HydrophobicContact CD2-CB 3.71Å; F1659-E2012 WeakPolarHBondContact CD2-OE2 3.2Å; F1659-E2012 HydrophobicContact CE2-CB 3.37Å; F1659-E2012 HydrophobicContact CE2-CG 4.34Å; F1659-E2012 VanDerWaalsContact CE2-OE2 3.27Å; F1659-E2012 WeakPolarHBondContact CE2-OE2 3.35Å; F1659-E2012 HydrophobicContact CZ-CB 4.15Å; H1662-E2012 IonicContact CE1-OE1 2.75Å; H1662-E2012 PolarHBondContact CE1-OE1 3.46Å; H1662-E2012 IonicContact CE1-OE2 2.72Å; H1662-E2012 PolarHBondContact CE1-OE2 2.89Å; H1662-E2012 VanDerWaalsContact CE1-OE2 3.31Å; H1662-E2012 IonicContact CG-OE2 3.28Å; H1662-E2012 IonicContact ND1-OE1 2.71Å; H1662-E2012 IonicContact ND1-OE2 2.84Å; H1662-E2012 PolarHBondContact ND1-OE2 3.44Å; N2008-E2012 PolarHBondContact O-N 2.76Å; E2012-C2014 PolarHBondContact O-N 2.94Å; E2012-C2014 VanDerWaalsContact O-N 3.09Å; E2012-L2015 CarbonylContact O-C 3.49Å; E2012-L2015 PolarHBondContact O-N 2.93Å; E2012-L2016 WeakPolarHBondContact O-CB 3.5Å; E2012-L2016 PolarHBondContact O-N 2.71Å |
| 2013 | A | 76.9 | Confident | 75.9 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.1 | -13.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | F1659 L2009 M2011 T2023 L2026 | F1659-A2013 HydrophobicContact CE1-CB 3.65Å; F1659-A2013 HydrophobicContact CZ-CB 3.68Å; L2009-A2013 WeakPolarHBondContact O-CB 3.5Å; L2009-A2013 PolarHBondContact O-N 3.36Å; M2011-A2013 VanDerWaalsContact C-N 3.33Å; M2011-A2013 PolarHBondContact O-N 3.01Å; A2013-T2023 HydrophobicContact CB-CG2 3.78Å; A2013-L2026 HydrophobicContact CB-CD1 4.29Å |
| 2014 | C | 68.8 | Low | 75.6 | Confident | 6 Ų | 6 | 27.8 Ų | 27.8 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -97.2 | -19.1 | 173.4 | -83.9 | 0 | 0 | 0 | 0 | 112.7 | L1563 R1587 I2010 M2011 E2012 | L1563-C2014 HydrophobicContact CD2-CB 3.66Å; L1563-C2014 VanDerWaalsContact CD2-O 3.22Å; L1563-C2014 WeakPolarHBondContact CD2-O 3.45Å; R1587-C2014 PolarHBondContact NH1-SG 2.95Å; I2010-C2014 VanDerWaalsContact O-CB 3.32Å; I2010-C2014 WeakPolarHBondContact O-CB 3.13Å; I2010-C2014 PolarHBondContact O-N 2.96Å; I2010-C2014 VanDerWaalsContact O-N 3.07Å; I2010-C2014 PolarHBondContact O-SG 2.93Å; M2011-C2014 WeakPolarHBondContact O-CB 3.22Å; M2011-C2014 PolarHBondContact O-N 2.86Å; M2011-C2014 VanDerWaalsContact O-N 3.08Å; E2012-C2014 PolarHBondContact O-N 2.94Å; E2012-C2014 VanDerWaalsContact O-N 3.09Å |
| 2015 | L | 71.7 | Confident | 75.8 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -103.3 | -28.9 | 179.8 | -66.7 | 172.7 | 0 | 0 | 0 | 112.9 | V1522 M1525 R1598 R1655 M2011 E2012 | V1522-L2015 HydrophobicContact CB-CD1 4.25Å; V1522-L2015 HydrophobicContact CG2-CD1 3.79Å; M1525-L2015 HydrophobicContact CB-CD1 3.75Å; M1525-L2015 HydrophobicContact CB-CD2 4.35Å; M1525-L2015 HydrophobicContact CG-CD1 3.94Å; M1525-L2015 HydrophobicContact CG-CD2 3.78Å; M1525-L2015 HydrophobicContact SD-CD2 4.18Å; R1598-L2015 PolarHBondContact NH2-O 3.2Å; R1655-L2015 PolarHBondContact NH2-O 3.48Å; M2011-L2015 HydrophobicContact CE-CD1 3.77Å; M2011-L2015 HydrophobicContact CE-CG 4.44Å; M2011-L2015 WeakPolarHBondContact O-CG 3.48Å; M2011-L2015 PolarHBondContact O-N 3.32Å; E2012-L2015 CarbonylContact O-C 3.49Å; E2012-L2015 PolarHBondContact O-N 2.93Å |
| 2016 | L | 73.4 | Confident | 75.7 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -37.8 | 139.4 | 161.2 | -97.7 | -161.6 | 0 | 0 | 0 | 111.3 | R1598 R1655 F1659 E2012 V2018 L2020 | R1598-L2016 WeakPolarHBondContact CD-O 3.05Å; R1598-L2016 PolarHBondContact NE-O 2.87Å; R1655-L2016 HydrophobicContact CB-CD2 4.26Å; R1655-L2016 HydrophobicContact CG-CD2 3.68Å; F1659-L2016 HydrophobicContact CB-CD1 3.85Å; F1659-L2016 HydrophobicContact CB-CD2 3.92Å; F1659-L2016 HydrophobicContact CB-CG 4.12Å; F1659-L2016 HydrophobicContact CD1-CD1 3.29Å; F1659-L2016 HydrophobicContact CD1-CG 4.06Å; F1659-L2016 HydrophobicContact CE1-CD1 4.01Å; F1659-L2016 HydrophobicContact CG-CD1 3.72Å; F1659-L2016 HydrophobicContact CG-CD2 4.39Å; F1659-L2016 HydrophobicContact CG-CG 4.05Å; E2012-L2016 WeakPolarHBondContact O-CB 3.5Å; E2012-L2016 PolarHBondContact O-N 2.71Å; L2016-V2018 PolarHBondContact O-N 3.38Å; L2016-L2020 HydrophobicContact CD1-CD1 3.38Å; L2016-L2020 HydrophobicContact CD1-CG 3.96Å |
| 2017 | E | 72.8 | Confident | 75.5 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -92.1 | 5.1 | -168.4 | -25 | -166.2 | 152.5 | 0 | 0 | 116.3 | L1431 Y1514 R1598 L1652 R1655 | L1431-E2017 VanDerWaalsContact CA-OE2 3.31Å; L1431-E2017 WeakPolarHBondContact CA-OE2 3.27Å; Y1514-E2017 PolarHBondContact OH-OE2 2.84Å; R1598-E2017 VanDerWaalsContact CD-CA 3.45Å; R1598-E2017 VanDerWaalsContact CD-O 3.31Å; R1598-E2017 WeakPolarHBondContact CD-O 3.36Å; R1598-E2017 VanDerWaalsContact NH1-CB 3.33Å; L1652-E2017 VanDerWaalsContact CD1-CA 3.45Å; L1652-E2017 HydrophobicContact CD1-CB 3.29Å; L1652-E2017 HydrophobicContact CD1-CG 3.74Å; L1652-E2017 HydrophobicContact CD2-CB 3.7Å; L1652-E2017 HydrophobicContact CG-CB 4.09Å; R1655-E2017 IonicContact CZ-OE1 2.98Å; R1655-E2017 IonicContact NH1-OE1 3.32Å; R1655-E2017 PolarHBondContact NH1-OE1 2.82Å |
| 2018 | V | 69.9 | Low | 75.6 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -130.3 | 155.3 | 171.7 | -64 | 0 | 0 | 0 | 0 | 111.2 | P1599 L1601 V1604 L1652 A1656 L2016 | P1599-V2018 CarbonylContact O-C 3.42Å; P1599-V2018 VanDerWaalsContact O-CA 3.29Å; P1599-V2018 WeakPolarHBondContact O-CA 3.48Å; P1599-V2018 WeakPolarHBondContact O-CB 2.98Å; L1601-V2018 HydrophobicContact CB-CB 4.23Å; L1601-V2018 HydrophobicContact CB-CG2 3.9Å; L1601-V2018 HydrophobicContact CD1-CG2 4.06Å; L1601-V2018 HydrophobicContact CG-CG2 4.47Å; V1604-V2018 HydrophobicContact CB-CG1 4.19Å; V1604-V2018 HydrophobicContact CG2-CG1 3.67Å; L1652-V2018 HydrophobicContact CD1-CG1 4.19Å; L1652-V2018 HydrophobicContact CD2-CG1 3.92Å; L1652-V2018 HydrophobicContact CG-CG1 3.99Å; A1656-V2018 HydrophobicContact CB-CG2 3.37Å; L2016-V2018 PolarHBondContact O-N 3.38Å |
| 2019 | H | 73.9 | Confident | 75.7 | Confident | 70 Ų | 70 | 17.4 Ų | 17.4 | 32% | 0.324 | 8% | 0.083 | S | C | . | . | B | Isolated β-bridge | trans | -81.5 | 120.6 | 173.6 | 171.1 | -85.3 | 0 | 0 | 0 | 110.2 | R1598 P1599 D1600 L1601 | R1598-H2019 HydrophobicContact CB-CB 4.24Å; P1599-H2019 PolarHBondContact O-N 3.41Å; D1600-H2019 IonicContact OD2-ND1 3.36Å; D1600-H2019 PolarHBondContact OD2-ND1 2.98Å; L1601-H2019 PolarHBondContact N-O 2.76Å |
| 2020 | L | 73.3 | Confident | 75.7 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | trans | -100.8 | 132.6 | 172.3 | -67.7 | -177.7 | 0 | 0 | 0 | 111.5 | L1601 F1659 I1660 L2016 Q2022 T2023 | L1601-L2020 HydrophobicContact CB-CD2 3.75Å; L1601-L2020 HydrophobicContact CD2-CD2 3.46Å; L1601-L2020 VanDerWaalsContact CD2-CD2 3.46Å; L1601-L2020 HydrophobicContact CG-CD2 4.21Å; F1659-L2020 HydrophobicContact CD1-CD1 3.58Å; F1659-L2020 HydrophobicContact CE1-CD1 4.12Å; I1660-L2020 HydrophobicContact CD1-CD1 4.38Å; I1660-L2020 HydrophobicContact CD1-CD2 3.81Å; I1660-L2020 HydrophobicContact CG1-CD1 3.73Å; I1660-L2020 HydrophobicContact CG1-CD2 4.08Å; L2016-L2020 HydrophobicContact CD1-CD1 3.38Å; L2016-L2020 HydrophobicContact CD1-CG 3.96Å; L2020-Q2022 PolarHBondContact O-N 3.35Å; L2020-T2023 WeakPolarHBondContact O-CB 3.49Å; L2020-T2023 PolarHBondContact O-N 2.69Å; L2020-T2023 PolarHBondContact O-OG1 2.79Å | ||
| 2021 | P | 69.4 | Low | 75.6 | Confident | 50 Ų | 50 | 21.6 Ų | 21.6 | 33% | 0.325 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -54.8 | -32.6 | 171.4 | -27.7 | 36 | 0 | 0 | 0 | 113.9 | P1689 T2023 R2024 | P1689-P2021 HydrophobicContact CG-CB 4.39Å; P2021-T2023 VanDerWaalsContact C-N 3.27Å; P2021-T2023 PolarHBondContact O-N 3.46Å; P2021-R2024 VanDerWaalsContact O-CB 3.23Å; P2021-R2024 WeakPolarHBondContact O-CB 3.25Å; P2021-R2024 PolarHBondContact O-N 3.5Å |
| 2022 | Q | 76.5 | Confident | 75.7 | Confident | 15 Ų | 15 | 21.5 Ų | 21.5 | 7% | 0.07 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.2 | -30.5 | 177.6 | -62.7 | 80.2 | -2.2 | 0 | 0 | 112.2 | I1663 M1688 L2020 R2024 W2025 L2026 | I1663-Q2022 HydrophobicContact CD1-CB 3.7Å; I1663-Q2022 HydrophobicContact CD1-CG 4.39Å; M1688-Q2022 HydrophobicContact CG-CG 4.44Å; M1688-Q2022 HydrophobicContact SD-CB 4.33Å; M1688-Q2022 HydrophobicContact SD-CG 4.3Å; L2020-Q2022 PolarHBondContact O-N 3.35Å; Q2022-R2024 PolarHBondContact O-N 2.88Å; Q2022-R2024 VanDerWaalsContact O-N 3.17Å; Q2022-W2025 WeakPolarHBondContact O-CB 3.46Å; Q2022-W2025 PolarHBondContact O-N 3.42Å; Q2022-L2026 PolarHBondContact O-N 2.89Å; Q2022-L2026 VanDerWaalsContact O-N 3.09Å |
| 2023 | T | 74.6 | Confident | 75.5 | Confident | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.2 | -35.8 | 174.9 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | A2013 L2020 P2021 W2025 W2027 | A2013-T2023 HydrophobicContact CB-CG2 3.78Å; L2020-T2023 WeakPolarHBondContact O-CB 3.49Å; L2020-T2023 PolarHBondContact O-N 2.69Å; L2020-T2023 PolarHBondContact O-OG1 2.79Å; P2021-T2023 VanDerWaalsContact C-N 3.27Å; P2021-T2023 PolarHBondContact O-N 3.46Å; T2023-W2025 VanDerWaalsContact C-N 3.32Å; T2023-W2025 PolarHBondContact O-N 2.81Å; T2023-W2027 VanDerWaalsContact O-CD1 3.27Å; T2023-W2027 PolarHBondContact O-N 3.32Å; T2023-W2027 VanDerWaalsContact O-N 3.11Å |
| 2024 | R | 73.9 | Confident | 74.9 | Confident | 60 Ų | 60 | 21.5 Ų | 21.5 | 23% | 0.226 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 175.3 | -170.7 | -176.7 | -165 | 68.3 | 31.4 | 112.1 | P2021 Q2022 Q2028 A2048 K2049 E2052 | P2021-R2024 VanDerWaalsContact O-CB 3.23Å; P2021-R2024 WeakPolarHBondContact O-CB 3.25Å; P2021-R2024 PolarHBondContact O-N 3.5Å; Q2022-R2024 PolarHBondContact O-N 2.88Å; Q2022-R2024 VanDerWaalsContact O-N 3.17Å; R2024-Q2028 WeakPolarHBondContact O-CG 3.35Å; R2024-Q2028 PolarHBondContact O-N 3.28Å; R2024-Q2028 VanDerWaalsContact O-N 3.07Å; R2024-A2048 VanDerWaalsContact NH2-C 3.25Å; R2024-A2048 PolarHBondContact NH2-O 3.1Å; R2024-K2049 VanDerWaalsContact NH2-N 3.13Å; R2024-E2052 IonicContact CZ-OE2 3.95Å; R2024-E2052 IonicContact NH1-OE2 2.69Å; R2024-E2052 PolarHBondContact NH1-OE2 2.94Å; R2024-E2052 IonicContact NH2-OE2 2.8Å; R2024-E2052 PolarHBondContact NH2-OE2 3.49Å |
| 2025 | W | 81 | Confident | 74.2 | Confident | 12 Ų | 12 | 28 Ų | 28 | 5% | 0.045 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -72.2 | -44.5 | -177.1 | -74.1 | 77.2 | 0 | 0 | 0 | 111.4 | L1677 Y1680 E1681 M1686 T1687 M1688 Q2022 T2023 W2027 Q2028 L2029 P2045 | L1677-W2025 HydrophobicContact CD1-CE3 3.93Å; L1677-W2025 HydrophobicContact CD1-CZ3 4.5Å; Y1680-W2025 AromaticContact CD1-CE3 3.46Å; Y1680-W2025 HydrophobicContact CD1-CE3 3.46Å; Y1680-W2025 VanDerWaalsContact CD1-CE3 3.46Å; Y1680-W2025 AromaticContact CD1-CZ3 3.46Å; Y1680-W2025 HydrophobicContact CD1-CZ3 3.46Å; Y1680-W2025 VanDerWaalsContact CD1-CZ3 3.46Å; Y1680-W2025 HydrophobicContact CE1-CD2 4.11Å; Y1680-W2025 AromaticContact CE1-CE3 3.4Å; Y1680-W2025 HydrophobicContact CE1-CE3 3.4Å; Y1680-W2025 VanDerWaalsContact CE1-CE3 3.4Å; Y1680-W2025 HydrophobicContact CE1-CH2 4.35Å; Y1680-W2025 AromaticContact CE1-CZ3 3.54Å; Y1680-W2025 HydrophobicContact CE1-CZ3 3.54Å; Y1680-W2025 HydrophobicContact CG-CZ3 4.49Å; E1681-W2025 HydrophobicContact CG-CH2 4.27Å; E1681-W2025 HydrophobicContact CG-CZ3 3.75Å; M1686-W2025 HydrophobicContact CB-CH2 4.2Å; M1686-W2025 HydrophobicContact CB-CZ2 4.34Å; M1686-W2025 WeakPolarHBondContact O-CH2 3.44Å; T1687-W2025 WeakPolarHBondContact O-CZ2 3.38Å; M1688-W2025 HydrophobicContact CB-CD2 3.68Å; M1688-W2025 HydrophobicContact CB-CE3 3.7Å; M1688-W2025 HydrophobicContact CB-CG 4.11Å; M1688-W2025 HydrophobicContact CB-CH2 4.46Å; M1688-W2025 HydrophobicContact CB-CZ2 4.43Å; M1688-W2025 HydrophobicContact CB-CZ3 4.11Å; M1688-W2025 HydrophobicContact CG-CB 3.97Å; M1688-W2025 HydrophobicContact CG-CD2 3.76Å; M1688-W2025 HydrophobicContact CG-CE3 4.21Å; M1688-W2025 HydrophobicContact CG-CG 3.61Å; M1688-W2025 HydrophobicContact SD-CB 3.6Å; M1688-W2025 HydrophobicContact SD-CD2 4.44Å; M1688-W2025 HydrophobicContact SD-CG 3.96Å; Q2022-W2025 WeakPolarHBondContact O-CB 3.46Å; Q2022-W2025 PolarHBondContact O-N 3.42Å; T2023-W2025 VanDerWaalsContact C-N 3.32Å; T2023-W2025 PolarHBondContact O-N 2.81Å; W2025-W2027 VanDerWaalsContact C-N 3.32Å; W2025-W2027 PolarHBondContact O-N 3.07Å; W2025-Q2028 PolarHBondContact O-N 3.17Å; W2025-Q2028 VanDerWaalsContact O-N 3.12Å; W2025-L2029 PolarHBondContact O-N 3.39Å; W2025-P2045 HydrophobicContact CH2-CG 3.88Å; W2025-P2045 HydrophobicContact CZ2-CB 4.46Å; W2025-P2045 HydrophobicContact CZ2-CG 3.71Å |
| 2026 | L | 82.3 | Confident | 73.2 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -54.3 | -48.4 | 172.2 | -61.3 | 175.4 | 0 | 0 | 0 | 111.3 | F1659 I1663 I1667 L2006 L2009 I2010 A2013 Q2022 Q2028 L2029 H2030 | F1659-L2026 HydrophobicContact CZ-CD1 4.2Å; I1663-L2026 HydrophobicContact CD1-CD1 4.07Å; I1663-L2026 HydrophobicContact CG1-CD1 4.24Å; I1663-L2026 HydrophobicContact CG2-CD2 4.37Å; I1667-L2026 HydrophobicContact CD1-CD2 4.25Å; L2006-L2026 HydrophobicContact CD1-CB 3.92Å; L2006-L2026 HydrophobicContact CD1-CD2 3.67Å; L2006-L2026 HydrophobicContact CD1-CG 4.39Å; L2009-L2026 HydrophobicContact CB-CD1 4.04Å; L2009-L2026 HydrophobicContact CB-CD2 4.49Å; L2009-L2026 HydrophobicContact CD1-CD2 4.31Å; I2010-L2026 HydrophobicContact CD1-CB 4.49Å; I2010-L2026 HydrophobicContact CG1-CB 3.89Å; A2013-L2026 HydrophobicContact CB-CD1 4.29Å; Q2022-L2026 PolarHBondContact O-N 2.89Å; Q2022-L2026 VanDerWaalsContact O-N 3.09Å; L2026-Q2028 VanDerWaalsContact C-N 3.35Å; L2026-Q2028 PolarHBondContact O-N 3.03Å; L2026-L2029 PolarHBondContact O-N 2.84Å; L2026-H2030 WeakPolarHBondContact O-CB 3.37Å; L2026-H2030 PolarHBondContact O-N 2.79Å |
| 2027 | W | 78 | Confident | 72 | Confident | 43 Ų | 43 | 36.5 Ų | 36.5 | 16% | 0.163 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -33 | 177.7 | -88.1 | 97.2 | 0 | 0 | 0 | 113.8 | I2010 T2023 W2025 L2031 | I2010-W2027 HydrophobicContact CD1-CD2 4.12Å; I2010-W2027 HydrophobicContact CD1-CE3 4.36Å; I2010-W2027 HydrophobicContact CD1-CG 4.27Å; I2010-W2027 HydrophobicContact CG1-CD2 4.43Å; I2010-W2027 HydrophobicContact CG1-CG 4.38Å; I2010-W2027 HydrophobicContact CG2-CD2 4.22Å; I2010-W2027 VanDerWaalsContact CG2-CE2 3.45Å; I2010-W2027 HydrophobicContact CG2-CH2 3.94Å; I2010-W2027 HydrophobicContact CG2-CZ2 3.32Å; T2023-W2027 VanDerWaalsContact O-CD1 3.27Å; T2023-W2027 PolarHBondContact O-N 3.32Å; T2023-W2027 VanDerWaalsContact O-N 3.11Å; W2025-W2027 VanDerWaalsContact C-N 3.32Å; W2025-W2027 PolarHBondContact O-N 3.07Å; W2027-L2031 WeakPolarHBondContact O-CG 3.29Å; W2027-L2031 PolarHBondContact O-N 2.98Å |
| 2028 | Q | 79.2 | Confident | 70.5 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.5 | -44.3 | 172.5 | -71.3 | -55.6 | -66.7 | 0 | 0 | 111.8 | Y1680 R2024 W2025 L2026 H2030 L2031 A2032 A2042 Y2043 A2048 | Y1680-Q2028 HydrophobicContact CE1-CB 3.97Å; Y1680-Q2028 WeakPolarHBondContact OH-CB 3.21Å; Y1680-Q2028 WeakPolarHBondContact OH-CG 3.48Å; R2024-Q2028 WeakPolarHBondContact O-CG 3.35Å; R2024-Q2028 PolarHBondContact O-N 3.28Å; R2024-Q2028 VanDerWaalsContact O-N 3.07Å; W2025-Q2028 PolarHBondContact O-N 3.17Å; W2025-Q2028 VanDerWaalsContact O-N 3.12Å; L2026-Q2028 VanDerWaalsContact C-N 3.35Å; L2026-Q2028 PolarHBondContact O-N 3.03Å; Q2028-H2030 VanDerWaalsContact C-N 3.27Å; Q2028-H2030 PolarHBondContact O-N 3.31Å; Q2028-L2031 WeakPolarHBondContact O-CB 3.27Å; Q2028-L2031 PolarHBondContact O-N 2.9Å; Q2028-L2031 VanDerWaalsContact O-N 3.16Å; Q2028-A2032 PolarHBondContact O-N 3.37Å; Q2028-A2042 HydrophobicContact CB-CB 4.11Å; Q2028-A2042 WeakPolarHBondContact O-CB 3.19Å; Q2028-Y2043 PolarHBondContact OE1-O 3.16Å; Q2028-A2048 HydrophobicContact CG-CB 4.13Å |
| 2029 | L | 81.5 | Confident | 69.6 | Low | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -38.3 | 175.2 | -70.9 | 177.6 | 0 | 0 | 0 | 112.2 | A1676 L1677 Y1680 L2006 W2025 L2026 L2031 A2032 S2033 | A1676-L2029 HydrophobicContact CB-CD2 4.17Å; A1676-L2029 WeakPolarHBondContact O-CD2 3.24Å; L1677-L2029 HydrophobicContact CB-CD1 4.17Å; L1677-L2029 HydrophobicContact CD1-CD1 3.95Å; Y1680-L2029 HydrophobicContact CD1-CD2 4.08Å; Y1680-L2029 HydrophobicContact CG-CD2 4.11Å; L2006-L2029 HydrophobicContact CD2-CB 3.89Å; W2025-L2029 PolarHBondContact O-N 3.39Å; L2026-L2029 PolarHBondContact O-N 2.84Å; L2029-L2031 PolarHBondContact O-N 3.29Å; L2029-A2032 PolarHBondContact O-N 2.84Å; L2029-S2033 PolarHBondContact O-N 3.3Å |
| 2030 | H | 81.9 | Confident | 68.5 | Low | 38 Ų | 38 | 47.5 Ų | 47.5 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.9 | 179 | 76 | 0 | 0 | 0 | 111.5 | L2006 E2007 I2010 L2026 Q2028 S2033 D2034 | L2006-H2030 HydrophobicContact CD2-CB 3.92Å; L2006-H2030 HydrophobicContact CG-CB 4.19Å; E2007-H2030 VanDerWaalsContact CG-CE1 3.47Å; E2007-H2030 WeakPolarHBondContact CG-CE1 3.38Å; E2007-H2030 IonicContact OE1-CE1 3.1Å; E2007-H2030 PolarHBondContact OE1-CE1 2.99Å; I2010-H2030 HydrophobicContact CD1-CB 3.37Å; L2026-H2030 WeakPolarHBondContact O-CB 3.37Å; L2026-H2030 PolarHBondContact O-N 2.79Å; Q2028-H2030 VanDerWaalsContact C-N 3.27Å; Q2028-H2030 PolarHBondContact O-N 3.31Å; H2030-S2033 WeakPolarHBondContact O-CB 3.16Å; H2030-S2033 PolarHBondContact O-N 2.86Å; H2030-S2033 PolarHBondContact O-OG 3.38Å; H2030-D2034 PolarHBondContact O-N 2.94Å |
| 2031 | L | 75.6 | Confident | 67.9 | Low | 57 Ų | 57 | 47.5 Ų | 47.5 | 30% | 0.298 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63 | -46.3 | 172.3 | -70.7 | 167.7 | 0 | 0 | 0 | 112.1 | W2027 Q2028 L2029 S2033 D2034 C2040 | W2027-L2031 WeakPolarHBondContact O-CG 3.29Å; W2027-L2031 PolarHBondContact O-N 2.98Å; Q2028-L2031 WeakPolarHBondContact O-CB 3.27Å; Q2028-L2031 PolarHBondContact O-N 2.9Å; Q2028-L2031 VanDerWaalsContact O-N 3.16Å; L2029-L2031 PolarHBondContact O-N 3.29Å; L2031-S2033 PolarHBondContact O-N 3.36Å; L2031-D2034 PolarHBondContact O-N 3.5Å; L2031-C2040 CarbonylContact C-O 3.58Å |
| 2032 | A | 76.9 | Confident | 68 | Low | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.3 | -27 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1994 F1996 Q2028 L2029 A2042 | F1994-A2032 HydrophobicContact CD1-CB 3.8Å; F1994-A2032 HydrophobicContact CE1-CB 4.15Å; F1996-A2032 HydrophobicContact CB-CB 4.49Å; F1996-A2032 PolarHBondContact N-O 3.31Å; F1996-A2032 CarbonylContact O-C 3.57Å; Q2028-A2032 PolarHBondContact O-N 3.37Å; L2029-A2032 PolarHBondContact O-N 2.84Å; A2032-A2042 HydrophobicContact CB-CB 3.77Å |
| 2033 | S | 73.1 | Confident | 67.9 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -87.1 | -14.8 | 179.2 | 89.8 | 0 | 0 | 0 | 0 | 115.2 | F1996 R2003 L2029 H2030 L2031 Q2035 | F1996-S2033 WeakPolarHBondContact O-CA 3.32Å; R2003-S2033 PolarHBondContact NE-OG 3.49Å; R2003-S2033 VanDerWaalsContact NE-OG 3.12Å; R2003-S2033 PolarHBondContact NH2-O 2.96Å; L2029-S2033 PolarHBondContact O-N 3.3Å; H2030-S2033 WeakPolarHBondContact O-CB 3.16Å; H2030-S2033 PolarHBondContact O-N 2.86Å; H2030-S2033 PolarHBondContact O-OG 3.38Å; L2031-S2033 PolarHBondContact O-N 3.36Å; S2033-Q2035 PolarHBondContact O-N 3.5Å |
| 2034 | D | 66.1 | Low | 67.9 | Low | 57 Ų | 57 | 49.8 Ų | 49.8 | 31% | 0.305 | 25% | 0.246 | S | C | . | . | trans | -81.2 | 83.4 | -173.8 | -175.3 | 13.2 | 0 | 0 | 0 | 112.3 | H2030 L2031 E2036 T2037 | H2030-D2034 PolarHBondContact O-N 2.94Å; L2031-D2034 PolarHBondContact O-N 3.5Å; D2034-E2036 PolarHBondContact O-N 3.05Å; D2034-E2036 PolarHBondContact OD1-N 2.72Å; D2034-T2037 PolarHBondContact O-N 3.42Å; D2034-T2037 PolarHBondContact OD2-OG1 2.88Å | ||
| 2035 | Q | 53 | Low | 67.7 | Low | 142 Ų | 142 | 47.5 Ų | 47.5 | 66% | 0.664 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -15.9 | 178.6 | -66.9 | -177.3 | -12.2 | 0 | 0 | 114.7 | S2033 T2037 | S2033-Q2035 PolarHBondContact O-N 3.5Å; Q2035-T2037 VanDerWaalsContact C-N 3.25Å; Q2035-T2037 PolarHBondContact O-N 3.18Å |
| 2036 | E | 49.9 | Very low | 66.6 | Low | 133 Ų | 133 | 53.9 Ų | 53.9 | 62% | 0.621 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 0.1 | -179.9 | -63.5 | -147.3 | 139.3 | 0 | 0 | 113 | D2034 R2082 | D2034-E2036 PolarHBondContact O-N 3.05Å; D2034-E2036 PolarHBondContact OD1-N 2.72Å; E2036-R2082 WeakPolarHBondContact OE1-CD 3.22Å; E2036-R2082 IonicContact OE1-CZ 2.63Å; E2036-R2082 IonicContact OE1-NE 4Å; E2036-R2082 IonicContact OE1-NH1 3.51Å; E2036-R2082 PolarHBondContact OE1-NH1 2.93Å |
| 2037 | T | 48.9 | Very low | 65.7 | Low | 50 Ų | 50 | 55.6 Ų | 55.6 | 31% | 0.307 | 28% | 0.277 | S | S | . | . | trans | -130.7 | 95.4 | 172.1 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | D2034 Q2035 S2039 C2040 | D2034-T2037 PolarHBondContact O-N 3.42Å; D2034-T2037 PolarHBondContact OD2-OG1 2.88Å; Q2035-T2037 VanDerWaalsContact C-N 3.25Å; Q2035-T2037 PolarHBondContact O-N 3.18Å; T2037-S2039 PolarHBondContact O-N 2.83Å; T2037-C2040 PolarHBondContact O-N 3.49Å; T2037-C2040 VanDerWaalsContact OG1-CB 3.28Å; T2037-C2040 WeakPolarHBondContact OG1-CB 3.4Å | ||
| 2038 | E | 42 | Very low | 65 | Low | 188 Ų | 188 | 53.7 Ų | 53.7 | 88% | 0.879 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -18.7 | 177 | -64.2 | 179.8 | 156.7 | 0 | 0 | 114.5 | Y1995 | Y1995-E2038 PolarHBondContact OH-O 3.46Š|
| 2039 | S | 50.8 | Low | 64.1 | Low | 76 Ų | 76 | 58.5 Ų | 58.5 | 53% | 0.531 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -12.2 | 176.3 | 53.6 | 0 | 0 | 0 | 0 | 115.2 | K1993 T2037 | K1993-S2039 PolarHBondContact NZ-O 3.38Å; T2037-S2039 PolarHBondContact O-N 2.83Å |
| 2040 | C | 49.8 | Very low | 63 | Low | 40 Ų | 40 | 61.2 Ų | 61.2 | 27% | 0.27 | 31% | 0.305 | S | S | . | . | trans | -121.6 | 37.5 | -156.4 | -66.8 | 0 | 0 | 0 | 0 | 116.7 | L2031 T2037 | L2031-C2040 CarbonylContact C-O 3.58Å; T2037-C2040 PolarHBondContact O-N 3.49Å; T2037-C2040 VanDerWaalsContact OG1-CB 3.28Å; T2037-C2040 WeakPolarHBondContact OG1-CB 3.4Å | ||
| 2041 | G | 61.5 | Low | 61.7 | Low | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 153.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1994 Y1995 Y2043 | F1994-G2041 CarbonylContact O-C 3.48Å; F1994-G2041 VanDerWaalsContact O-C 3.3Å; F1994-G2041 WeakPolarHBondContact O-CA 3.14Å; Y1995-G2041 VanDerWaalsContact CZ-CA 3.4Å; Y1995-G2041 PolarHBondContact OH-N 3.1Å; G2041-Y2043 PolarHBondContact O-N 3.37Å |
| 2042 | A | 71.2 | Confident | 60.5 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -55.5 | 138.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y1680 F1994 Q2028 A2032 | Y1680-A2042 HydrophobicContact CD2-CB 4.2Å; Y1680-A2042 HydrophobicContact CE2-CB 3.7Å; F1994-A2042 HydrophobicContact CB-CB 4.28Å; F1994-A2042 HydrophobicContact CD1-CB 4.25Å; F1994-A2042 PolarHBondContact N-O 2.99Å; F1994-A2042 PolarHBondContact O-N 3.11Å; Q2028-A2042 HydrophobicContact CB-CB 4.11Å; Q2028-A2042 WeakPolarHBondContact O-CB 3.19Å; A2032-A2042 HydrophobicContact CB-CB 3.77Å |
| 2043 | Y | 73.7 | Confident | 59.2 | Low | 55 Ų | 55 | 63.3 Ų | 63.3 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -95.1 | 138.5 | 172.3 | -66 | -95.7 | 0 | 0 | 0 | 108.1 | Y1680 K1993 Q2028 G2041 V2047 A2048 E2051 | Y1680-Y2043 PolarHBondContact OH-O 3.42Å; K1993-Y2043 HydrophobicContact CD-CD1 4.32Å; K1993-Y2043 HydrophobicContact CD-CE1 3.93Å; K1993-Y2043 HydrophobicContact CD-CE2 4.32Å; K1993-Y2043 HydrophobicContact CG-CD1 4.33Å; K1993-Y2043 HydrophobicContact CG-CE1 4.29Å; K1993-Y2043 PolarHBondContact NZ-OH 2.84Å; Q2028-Y2043 PolarHBondContact OE1-O 3.16Å; G2041-Y2043 PolarHBondContact O-N 3.37Å; Y2043-V2047 HydrophobicContact CD1-CG1 3.7Å; Y2043-V2047 HydrophobicContact CG-CG1 4.37Å; Y2043-A2048 WeakPolarHBondContact O-CB 3.22Å; Y2043-E2051 HydrophobicContact CD1-CG 3.94Å; Y2043-E2051 HydrophobicContact CE1-CG 3.63Å; Y2043-E2051 HydrophobicContact CE2-CB 4.49Å; Y2043-E2051 HydrophobicContact CE2-CG 4.28Å; Y2043-E2051 HydrophobicContact CG-CG 4.33Å |
| 2044 | H | 76.3 | Confident | 58.1 | Low | 64 Ų | 64 | 69.3 Ų | 69.3 | 30% | 0.296 | 34% | 0.336 | S | S | . | . | trans | -42.4 | 133.3 | 170.4 | 178 | -42.9 | 0 | 0 | 0 | 109.5 | F1683 S1684 F2046 V2047 A2048 | F1683-H2044 HydrophobicContact CE1-CB 3.86Å; F1683-H2044 HydrophobicContact CZ-CB 4.31Å; S1684-H2044 PolarHBondContact O-CE1 2.98Å; S1684-H2044 VanDerWaalsContact O-CE1 3.22Å; S1684-H2044 PolarHBondContact O-NE2 3.23Å; H2044-F2046 VanDerWaalsContact C-N 3.25Å; H2044-F2046 CarbonylContact O-C 3.57Å; H2044-F2046 PolarHBondContact O-N 3.09Å; H2044-V2047 HydrophobicContact CB-CB 4.36Å; H2044-V2047 HydrophobicContact CB-CG2 4.16Å; H2044-V2047 CarbonylContact O-C 3.58Å; H2044-V2047 VanDerWaalsContact O-CA 3.28Å; H2044-V2047 WeakPolarHBondContact O-CA 3.41Å; H2044-V2047 WeakPolarHBondContact O-CB 3.43Å; H2044-V2047 PolarHBondContact O-N 3.28Å; H2044-A2048 PolarHBondContact O-N 3Å | ||
| 2045 | P | 68.3 | Low | 57.1 | Low | 12 Ų | 12 | 70.9 Ų | 70.9 | 8% | 0.078 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -46.6 | -39.5 | -165.1 | -32.6 | 33.8 | 0 | 0 | 0 | 116.1 | Y1680 M1686 W2025 A2048 K2049 | Y1680-P2045 HydrophobicContact CE1-CG 4.41Å; Y1680-P2045 WeakPolarHBondContact OH-CD 3.26Å; M1686-P2045 HydrophobicContact SD-CB 4.27Å; M1686-P2045 HydrophobicContact SD-CG 4.45Å; W2025-P2045 HydrophobicContact CH2-CG 3.88Å; W2025-P2045 HydrophobicContact CZ2-CB 4.46Å; W2025-P2045 HydrophobicContact CZ2-CG 3.71Å; P2045-A2048 WeakPolarHBondContact O-CB 3.24Å; P2045-A2048 PolarHBondContact O-N 3.36Å; P2045-K2049 PolarHBondContact O-N 3.25Å |
| 2046 | F | 59.6 | Low | 56.8 | Low | 145 Ų | 145 | 65.8 Ų | 65.8 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64 | -47 | 171.5 | -171.4 | -102 | 0 | 0 | 0 | 113.6 | H2044 K2049 I2050 | H2044-F2046 VanDerWaalsContact C-N 3.25Å; H2044-F2046 CarbonylContact O-C 3.57Å; H2044-F2046 PolarHBondContact O-N 3.09Å; F2046-K2049 WeakPolarHBondContact O-CB 3.42Å; F2046-K2049 PolarHBondContact O-N 2.76Å; F2046-I2050 HydrophobicContact CD1-CD1 3.75Å; F2046-I2050 HydrophobicContact CE1-CD1 3.48Å; F2046-I2050 VanDerWaalsContact CE1-CD1 3.48Å; F2046-I2050 HydrophobicContact CZ-CD1 4.17Å; F2046-I2050 WeakPolarHBondContact O-CG1 3.44Å; F2046-I2050 PolarHBondContact O-N 2.77Å |
| 2047 | V | 62.6 | Low | 56.7 | Low | 37 Ų | 37 | 66 Ų | 66 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.3 | -33.9 | 172.4 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | Y2043 H2044 K2049 I2050 E2051 | Y2043-V2047 HydrophobicContact CD1-CG1 3.7Å; Y2043-V2047 HydrophobicContact CG-CG1 4.37Å; H2044-V2047 HydrophobicContact CB-CB 4.36Å; H2044-V2047 HydrophobicContact CB-CG2 4.16Å; H2044-V2047 CarbonylContact O-C 3.58Å; H2044-V2047 VanDerWaalsContact O-CA 3.28Å; H2044-V2047 WeakPolarHBondContact O-CA 3.41Å; H2044-V2047 WeakPolarHBondContact O-CB 3.43Å; H2044-V2047 PolarHBondContact O-N 3.28Å; V2047-K2049 VanDerWaalsContact C-N 3.32Å; V2047-I2050 CarbonylContact O-C 3.52Å; V2047-I2050 PolarHBondContact O-N 3.3Å; V2047-E2051 WeakPolarHBondContact O-CB 3.41Å; V2047-E2051 PolarHBondContact O-N 2.81Å |
| 2048 | A | 62.5 | Low | 56.6 | Low | 3 Ų | 3 | 68.8 Ų | 68.8 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.1 | -39 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R2024 Q2028 Y2043 H2044 P2045 E2051 E2052 | R2024-A2048 VanDerWaalsContact NH2-C 3.25Å; R2024-A2048 PolarHBondContact NH2-O 3.1Å; Q2028-A2048 HydrophobicContact CG-CB 4.13Å; Y2043-A2048 WeakPolarHBondContact O-CB 3.22Å; H2044-A2048 PolarHBondContact O-N 3Å; P2045-A2048 WeakPolarHBondContact O-CB 3.24Å; P2045-A2048 PolarHBondContact O-N 3.36Å; A2048-E2051 PolarHBondContact O-N 3.45Å; A2048-E2052 WeakPolarHBondContact O-CB 3.49Å; A2048-E2052 PolarHBondContact O-N 2.87Å |
| 2049 | K | 60.5 | Low | 56.5 | Low | 122 Ų | 122 | 63.9 Ų | 63.9 | 53% | 0.53 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 173.5 | -165.5 | 177.4 | -179.5 | -178 | 0 | 110.1 | R2024 P2045 F2046 V2047 E2051 E2052 E2053 | R2024-K2049 VanDerWaalsContact NH2-N 3.13Å; P2045-K2049 PolarHBondContact O-N 3.25Å; F2046-K2049 WeakPolarHBondContact O-CB 3.42Å; F2046-K2049 PolarHBondContact O-N 2.76Å; V2047-K2049 VanDerWaalsContact C-N 3.32Å; K2049-E2051 PolarHBondContact O-N 3.46Å; K2049-E2052 PolarHBondContact O-N 3.41Å; K2049-E2053 WeakPolarHBondContact O-CB 3.38Å; K2049-E2053 WeakPolarHBondContact O-CG 3.49Å; K2049-E2053 PolarHBondContact O-N 3.3Å |
| 2050 | I | 58.5 | Low | 56.3 | Low | 61 Ų | 61 | 64.2 Ų | 64.2 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 175.1 | -68.8 | 166.6 | 0 | 0 | 0 | 112.6 | F2046 V2047 E2053 R2054 | F2046-I2050 HydrophobicContact CD1-CD1 3.75Å; F2046-I2050 HydrophobicContact CE1-CD1 3.48Å; F2046-I2050 VanDerWaalsContact CE1-CD1 3.48Å; F2046-I2050 HydrophobicContact CZ-CD1 4.17Å; F2046-I2050 WeakPolarHBondContact O-CG1 3.44Å; F2046-I2050 PolarHBondContact O-N 2.77Å; V2047-I2050 CarbonylContact O-C 3.52Å; V2047-I2050 PolarHBondContact O-N 3.3Å; I2050-E2053 PolarHBondContact O-N 3.1Å; I2050-R2054 HydrophobicContact CG2-CG 4.48Å; I2050-R2054 WeakPolarHBondContact O-CB 3.29Å; I2050-R2054 WeakPolarHBondContact O-CD 3.48Å; I2050-R2054 WeakPolarHBondContact O-CG 3.49Å; I2050-R2054 PolarHBondContact O-N 3.22Å |
| 2051 | E | 54.2 | Low | 55.9 | Low | 29 Ų | 29 | 68.1 Ų | 68.1 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.6 | -30.9 | 177.8 | -81 | -64.4 | 137.4 | 0 | 0 | 112.9 | Y2043 V2047 A2048 K2049 R2054 L2055 R2058 | Y2043-E2051 HydrophobicContact CD1-CG 3.94Å; Y2043-E2051 HydrophobicContact CE1-CG 3.63Å; Y2043-E2051 HydrophobicContact CE2-CB 4.49Å; Y2043-E2051 HydrophobicContact CE2-CG 4.28Å; Y2043-E2051 HydrophobicContact CG-CG 4.33Å; V2047-E2051 WeakPolarHBondContact O-CB 3.41Å; V2047-E2051 PolarHBondContact O-N 2.81Å; A2048-E2051 PolarHBondContact O-N 3.45Å; K2049-E2051 PolarHBondContact O-N 3.46Å; E2051-R2054 CarbonylContact O-C 3.52Å; E2051-R2054 PolarHBondContact O-N 2.97Å; E2051-R2054 WeakPolarHBondContact OE1-CD 3.42Å; E2051-R2054 IonicContact OE1-CZ 3.23Å; E2051-R2054 IonicContact OE1-NE 3.13Å; E2051-R2054 IonicContact OE1-NH1 2.82Å; E2051-R2054 PolarHBondContact OE1-NH1 3.33Å; E2051-L2055 VanDerWaalsContact O-CB 3.27Å; E2051-L2055 WeakPolarHBondContact O-CB 3.13Å; E2051-L2055 PolarHBondContact O-N 3.05Å; E2051-R2058 IonicContact OE2-CZ 2.75Å; E2051-R2058 IonicContact OE2-NH1 2.81Å; E2051-R2058 IonicContact OE2-NH2 3.44Å; E2051-R2058 PolarHBondContact OE2-NH2 3.4Å |
| 2052 | E | 50.8 | Low | 54.8 | Low | 68 Ų | 68 | 74 Ų | 74 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 166.9 | -173.1 | -168.1 | 139.9 | 0 | 0 | 110.6 | R2024 A2048 K2049 R2054 L2055 K2056 | R2024-E2052 IonicContact CZ-OE2 3.95Å; R2024-E2052 IonicContact NH1-OE2 2.69Å; R2024-E2052 PolarHBondContact NH1-OE2 2.94Å; R2024-E2052 IonicContact NH2-OE2 2.8Å; R2024-E2052 PolarHBondContact NH2-OE2 3.49Å; A2048-E2052 WeakPolarHBondContact O-CB 3.49Å; A2048-E2052 PolarHBondContact O-N 2.87Å; K2049-E2052 PolarHBondContact O-N 3.41Å; E2052-R2054 VanDerWaalsContact C-N 3.34Å; E2052-R2054 PolarHBondContact O-N 3.49Å; E2052-L2055 CarbonylContact O-C 3.54Å; E2052-L2055 WeakPolarHBondContact O-CA 3.3Å; E2052-L2055 WeakPolarHBondContact O-CB 3.4Å; E2052-L2055 PolarHBondContact O-N 3.36Å; E2052-K2056 WeakPolarHBondContact O-CG 3.2Å; E2052-K2056 PolarHBondContact O-N 3.48Å; E2052-K2056 VanDerWaalsContact OE1-CE 3.27Å; E2052-K2056 WeakPolarHBondContact OE1-CE 3.26Å; E2052-K2056 IonicContact OE1-NZ 2.6Å; E2052-K2056 PolarHBondContact OE1-NZ 3.42Å |
| 2053 | E | 49.3 | Very low | 53.2 | Low | 47 Ų | 47 | 76.4 Ų | 76.4 | 22% | 0.22 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 170.9 | -70.7 | -41.5 | 122.9 | 0 | 0 | 112.2 | K2049 I2050 L2055 K2056 R2057 | K2049-E2053 WeakPolarHBondContact O-CB 3.38Å; K2049-E2053 WeakPolarHBondContact O-CG 3.49Å; K2049-E2053 PolarHBondContact O-N 3.3Å; I2050-E2053 PolarHBondContact O-N 3.1Å; E2053-L2055 PolarHBondContact O-N 3.08Å; E2053-K2056 WeakPolarHBondContact OE1-CD 3.44Å; E2053-K2056 IonicContact OE1-NZ 3.73Å; E2053-K2056 PolarHBondContact OE1-NZ 3Å; E2053-R2057 VanDerWaalsContact O-CB 3.26Å; E2053-R2057 WeakPolarHBondContact O-CB 3.33Å; E2053-R2057 WeakPolarHBondContact O-CG 3.29Å; E2053-R2057 PolarHBondContact O-N 3.35Å |
| 2054 | R | 49.7 | Very low | 51.5 | Low | 126 Ų | 126 | 79 Ų | 79 | 48% | 0.475 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70 | -20.5 | 170.7 | -70.5 | 162.8 | 175.7 | -172.2 | 0.6 | 112.3 | I2050 E2051 E2052 R2058 | I2050-R2054 HydrophobicContact CG2-CG 4.48Å; I2050-R2054 WeakPolarHBondContact O-CB 3.29Å; I2050-R2054 WeakPolarHBondContact O-CD 3.48Å; I2050-R2054 WeakPolarHBondContact O-CG 3.49Å; I2050-R2054 PolarHBondContact O-N 3.22Å; E2051-R2054 CarbonylContact O-C 3.52Å; E2051-R2054 PolarHBondContact O-N 2.97Å; E2051-R2054 WeakPolarHBondContact OE1-CD 3.42Å; E2051-R2054 IonicContact OE1-CZ 3.23Å; E2051-R2054 IonicContact OE1-NE 3.13Å; E2051-R2054 IonicContact OE1-NH1 2.82Å; E2051-R2054 PolarHBondContact OE1-NH1 3.33Å; E2052-R2054 VanDerWaalsContact C-N 3.34Å; E2052-R2054 PolarHBondContact O-N 3.49Å; R2054-R2058 VanDerWaalsContact O-CB 3.24Å; R2054-R2058 WeakPolarHBondContact O-CB 3.17Å; R2054-R2058 VanDerWaalsContact O-CG 3.25Å; R2054-R2058 WeakPolarHBondContact O-CG 3.35Å; R2054-R2058 PolarHBondContact O-N 2.89Å; R2054-R2058 PolarHBondContact O-NE 3.29Å |
| 2055 | L | 47 | Very low | 49.5 | Very low | 90 Ų | 90 | 80 Ų | 80 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -83.4 | -43.3 | 174.4 | -172.9 | 60.2 | 0 | 0 | 0 | 110.5 | E2051 E2052 E2053 R2057 R2058 I2059 | E2051-L2055 VanDerWaalsContact O-CB 3.27Å; E2051-L2055 WeakPolarHBondContact O-CB 3.13Å; E2051-L2055 PolarHBondContact O-N 3.05Å; E2052-L2055 CarbonylContact O-C 3.54Å; E2052-L2055 WeakPolarHBondContact O-CA 3.3Å; E2052-L2055 WeakPolarHBondContact O-CB 3.4Å; E2052-L2055 PolarHBondContact O-N 3.36Å; E2053-L2055 PolarHBondContact O-N 3.08Å; L2055-R2057 PolarHBondContact O-N 3.42Å; L2055-R2058 HydrophobicContact CD1-CB 4.41Å; L2055-R2058 CarbonylContact O-C 3.49Å; L2055-R2058 WeakPolarHBondContact O-CA 3.44Å; L2055-R2058 WeakPolarHBondContact O-CB 3.48Å; L2055-R2058 PolarHBondContact O-N 3.07Å; L2055-I2059 HydrophobicContact CD1-CD1 4.47Å; L2055-I2059 HydrophobicContact CD1-CG1 4.47Å; L2055-I2059 HydrophobicContact CG-CD1 4.07Å; L2055-I2059 WeakPolarHBondContact O-CG1 3.16Å; L2055-I2059 PolarHBondContact O-N 3.29Å |
| 2056 | K | 46.2 | Very low | 47.7 | Very low | 34 Ų | 34 | 81.7 Ų | 81.7 | 15% | 0.148 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.3 | -50.2 | 166.7 | -68.9 | 166.2 | -172 | 162.1 | 0 | 110.3 | E1584 E2052 E2053 R2058 I2059 L2060 | E1584-K2056 VanDerWaalsContact O-CE 3.3Å; E1584-K2056 WeakPolarHBondContact O-CE 3.33Å; E1584-K2056 PolarHBondContact O-NZ 3.46Å; E2052-K2056 WeakPolarHBondContact O-CG 3.2Å; E2052-K2056 PolarHBondContact O-N 3.48Å; E2052-K2056 VanDerWaalsContact OE1-CE 3.27Å; E2052-K2056 WeakPolarHBondContact OE1-CE 3.26Å; E2052-K2056 IonicContact OE1-NZ 2.6Å; E2052-K2056 PolarHBondContact OE1-NZ 3.42Å; E2053-K2056 WeakPolarHBondContact OE1-CD 3.44Å; E2053-K2056 IonicContact OE1-NZ 3.73Å; E2053-K2056 PolarHBondContact OE1-NZ 3Å; K2056-R2058 PolarHBondContact O-N 2.87Å; K2056-I2059 PolarHBondContact O-N 3.36Å; K2056-I2059 VanDerWaalsContact O-N 3.12Å; K2056-L2060 WeakPolarHBondContact O-CB 3.41Å; K2056-L2060 PolarHBondContact O-N 3.41Å |
| 2057 | R | 48.1 | Very low | 46.4 | Very low | 139 Ų | 139 | 80.6 Ų | 80.6 | 53% | 0.525 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.9 | -16 | 170.8 | -65.2 | 175.9 | -155.4 | -154 | 4.6 | 114.2 | E2053 L2055 R2061 | E2053-R2057 VanDerWaalsContact O-CB 3.26Å; E2053-R2057 WeakPolarHBondContact O-CB 3.33Å; E2053-R2057 WeakPolarHBondContact O-CG 3.29Å; E2053-R2057 PolarHBondContact O-N 3.35Å; L2055-R2057 PolarHBondContact O-N 3.42Å; R2057-R2061 WeakPolarHBondContact O-CB 3.24Å; R2057-R2061 VanDerWaalsContact O-CG 3.31Å; R2057-R2061 WeakPolarHBondContact O-CG 3.38Å; R2057-R2061 PolarHBondContact O-N 3.25Å; R2057-R2061 PolarHBondContact O-NE 2.62Å |
| 2058 | R | 45.3 | Very low | 44.8 | Very low | 107 Ų | 107 | 84 Ų | 84 | 40% | 0.404 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -89.1 | -29.8 | 169.8 | -90.6 | 174.2 | -72.4 | -162.5 | -2.8 | 112 | E2051 R2054 L2055 K2056 R2061 H2062 | E2051-R2058 IonicContact OE2-CZ 2.75Å; E2051-R2058 IonicContact OE2-NH1 2.81Å; E2051-R2058 IonicContact OE2-NH2 3.44Å; E2051-R2058 PolarHBondContact OE2-NH2 3.4Å; R2054-R2058 VanDerWaalsContact O-CB 3.24Å; R2054-R2058 WeakPolarHBondContact O-CB 3.17Å; R2054-R2058 VanDerWaalsContact O-CG 3.25Å; R2054-R2058 WeakPolarHBondContact O-CG 3.35Å; R2054-R2058 PolarHBondContact O-N 2.89Å; R2054-R2058 PolarHBondContact O-NE 3.29Å; L2055-R2058 HydrophobicContact CD1-CB 4.41Å; L2055-R2058 CarbonylContact O-C 3.49Å; L2055-R2058 WeakPolarHBondContact O-CA 3.44Å; L2055-R2058 WeakPolarHBondContact O-CB 3.48Å; L2055-R2058 PolarHBondContact O-N 3.07Å; K2056-R2058 PolarHBondContact O-N 2.87Å; R2058-R2061 CarbonylContact O-C 3.6Å; R2058-H2062 VanDerWaalsContact O-CB 3.24Å; R2058-H2062 WeakPolarHBondContact O-CB 3.44Å; R2058-H2062 PolarHBondContact O-N 3.03Å |
| 2059 | I | 41.6 | Very low | 43.2 | Very low | 85 Ų | 85 | 87.4 Ų | 87.4 | 44% | 0.436 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -76 | -43.4 | 175.2 | -69.7 | 167.5 | 0 | 0 | 0 | 109.7 | L2055 K2056 R2061 H2062 I2063 | L2055-I2059 HydrophobicContact CD1-CD1 4.47Å; L2055-I2059 HydrophobicContact CD1-CG1 4.47Å; L2055-I2059 HydrophobicContact CG-CD1 4.07Å; L2055-I2059 WeakPolarHBondContact O-CG1 3.16Å; L2055-I2059 PolarHBondContact O-N 3.29Å; K2056-I2059 PolarHBondContact O-N 3.36Å; K2056-I2059 VanDerWaalsContact O-N 3.12Å; I2059-R2061 VanDerWaalsContact C-N 3.33Å; I2059-R2061 PolarHBondContact O-N 3.32Å; I2059-H2062 CarbonylContact O-C 3.35Å; I2059-H2062 WeakPolarHBondContact O-CA 3.46Å; I2059-H2062 PolarHBondContact O-N 2.72Å; I2059-I2063 HydrophobicContact CG2-CD1 4.14Å; I2059-I2063 WeakPolarHBondContact O-CG1 3.02Å; I2059-I2063 PolarHBondContact O-N 3.15Å |
| 2060 | L | 45.1 | Very low | 41.4 | Very low | 84 Ų | 84 | 85.9 Ų | 85.9 | 44% | 0.44 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -55.8 | -48.4 | 166.4 | -77.6 | 161.7 | 0 | 0 | 0 | 110.8 | K2056 H2062 I2063 Q2064 | K2056-L2060 WeakPolarHBondContact O-CB 3.41Å; K2056-L2060 PolarHBondContact O-N 3.41Å; L2060-H2062 VanDerWaalsContact C-N 3.27Å; L2060-H2062 PolarHBondContact O-N 2.95Å; L2060-I2063 PolarHBondContact O-N 3.3Å; L2060-Q2064 WeakPolarHBondContact O-CG 3.41Å; L2060-Q2064 PolarHBondContact O-N 3.2Å |
| 2061 | R | 41.9 | Very low | 39.9 | Very low | 121 Ų | 121 | 90 Ų | 90 | 46% | 0.457 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.2 | -23.6 | 171.5 | -79.1 | -178.4 | -68.2 | 176 | -0.4 | 113.9 | R2057 R2058 I2059 Q2065 | R2057-R2061 WeakPolarHBondContact O-CB 3.24Å; R2057-R2061 VanDerWaalsContact O-CG 3.31Å; R2057-R2061 WeakPolarHBondContact O-CG 3.38Å; R2057-R2061 PolarHBondContact O-N 3.25Å; R2057-R2061 PolarHBondContact O-NE 2.62Å; R2058-R2061 CarbonylContact O-C 3.6Å; I2059-R2061 VanDerWaalsContact C-N 3.33Å; I2059-R2061 PolarHBondContact O-N 3.32Å; R2061-Q2065 WeakPolarHBondContact O-CA 3.41Å; R2061-Q2065 WeakPolarHBondContact O-CB 3.38Å; R2061-Q2065 VanDerWaalsContact O-CD 3.28Å; R2061-Q2065 WeakPolarHBondContact O-CG 3.34Å; R2061-Q2065 PolarHBondContact O-N 3.37Å; R2061-Q2065 PolarHBondContact O-OE1 2.86Å |
| 2062 | H | 39 | Very low | 38.6 | Very low | 125 Ų | 125 | 93.7 Ų | 93.7 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -88.3 | -15.8 | 173.8 | -101 | 22.5 | 0 | 0 | 0 | 113.7 | R2058 I2059 L2060 Q2065 S2066 | R2058-H2062 VanDerWaalsContact O-CB 3.24Å; R2058-H2062 WeakPolarHBondContact O-CB 3.44Å; R2058-H2062 PolarHBondContact O-N 3.03Å; I2059-H2062 CarbonylContact O-C 3.35Å; I2059-H2062 WeakPolarHBondContact O-CA 3.46Å; I2059-H2062 PolarHBondContact O-N 2.72Å; L2060-H2062 VanDerWaalsContact C-N 3.27Å; L2060-H2062 PolarHBondContact O-N 2.95Å; H2062-Q2065 PolarHBondContact ND1-OE1 3.41Å; H2062-S2066 WeakPolarHBondContact O-CA 3.48Å; H2062-S2066 WeakPolarHBondContact O-CB 3.38Å; H2062-S2066 PolarHBondContact O-N 3.46Å; H2062-S2066 PolarHBondContact O-OG 3.23Å |
| 2063 | I | 37.1 | Very low | 37.6 | Very low | 51 Ų | 51 | 99.2 Ų | 99.2 | 26% | 0.262 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76.5 | -45.3 | 164.8 | -69.8 | 164.8 | 0 | 0 | 0 | 107.7 | I2059 L2060 Q2065 S2066 N2067 | I2059-I2063 HydrophobicContact CG2-CD1 4.14Å; I2059-I2063 WeakPolarHBondContact O-CG1 3.02Å; I2059-I2063 PolarHBondContact O-N 3.15Å; L2060-I2063 PolarHBondContact O-N 3.3Å; I2063-Q2065 PolarHBondContact O-N 3.5Å; I2063-S2066 PolarHBondContact O-OG 2.85Å; I2063-N2067 PolarHBondContact O-N 2.86Å |
| 2064 | Q | 38.8 | Very low | 36.4 | Very low | 109 Ų | 109 | 108.3 Ų | 108.3 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 168.9 | -66.7 | 166.9 | -16.3 | 0 | 0 | 112.1 | L2060 Q2068 | L2060-Q2064 WeakPolarHBondContact O-CG 3.41Å; L2060-Q2064 PolarHBondContact O-N 3.2Å; Q2064-Q2068 WeakPolarHBondContact O-CG 3.25Å |
| 2065 | Q | 33.9 | Very low | 35.2 | Very low | 84 Ų | 84 | 108.7 Ų | 108.7 | 39% | 0.393 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -85.3 | -17.1 | -179.7 | -70.5 | 163.4 | -19.4 | 0 | 0 | 115.1 | R2061 H2062 I2063 N2067 Q2068 S2069 | R2061-Q2065 WeakPolarHBondContact O-CA 3.41Å; R2061-Q2065 WeakPolarHBondContact O-CB 3.38Å; R2061-Q2065 VanDerWaalsContact O-CD 3.28Å; R2061-Q2065 WeakPolarHBondContact O-CG 3.34Å; R2061-Q2065 PolarHBondContact O-N 3.37Å; R2061-Q2065 PolarHBondContact O-OE1 2.86Å; H2062-Q2065 PolarHBondContact ND1-OE1 3.41Å; I2063-Q2065 PolarHBondContact O-N 3.5Å; Q2065-N2067 VanDerWaalsContact C-N 3.29Å; Q2065-Q2068 VanDerWaalsContact C-N 3.3Å; Q2065-Q2068 CarbonylContact O-C 3.58Å; Q2065-Q2068 WeakPolarHBondContact O-CA 3.28Å; Q2065-Q2068 PolarHBondContact O-N 2.79Å; Q2065-S2069 PolarHBondContact O-N 3.01Å |
| 2066 | S | 30.1 | Very low | 34.1 | Very low | 48 Ų | 48 | 115.1 Ų | 115.1 | 34% | 0.336 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -79.1 | -18.8 | 169.3 | 57.2 | 0 | 0 | 0 | 0 | 112 | H2062 I2063 Q2068 | H2062-S2066 WeakPolarHBondContact O-CA 3.48Å; H2062-S2066 WeakPolarHBondContact O-CB 3.38Å; H2062-S2066 PolarHBondContact O-N 3.46Å; H2062-S2066 PolarHBondContact O-OG 3.23Å; I2063-S2066 PolarHBondContact O-OG 2.85Å; S2066-Q2068 VanDerWaalsContact C-N 3.25Å |
| 2067 | N | 32 | Very low | 33.2 | Very low | 122 Ų | 122 | 118.1 Ų | 118.1 | 65% | 0.652 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -0.9 | 156.6 | -71.4 | -20.5 | 0 | 0 | 0 | 113.4 | I2063 Q2065 | I2063-N2067 PolarHBondContact O-N 2.86Å; Q2065-N2067 VanDerWaalsContact C-N 3.29Å |
| 2068 | Q | 29.1 | Very low | 32.2 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -132.8 | 20 | 178.5 | -60 | 177.2 | -15.5 | 0 | 0 | 115.4 | Q2064 Q2065 S2066 | Q2064-Q2068 WeakPolarHBondContact O-CG 3.25Å; Q2065-Q2068 VanDerWaalsContact C-N 3.3Å; Q2065-Q2068 CarbonylContact O-C 3.58Å; Q2065-Q2068 WeakPolarHBondContact O-CA 3.28Å; Q2065-Q2068 PolarHBondContact O-N 2.79Å; S2066-Q2068 VanDerWaalsContact C-N 3.25Å |
| 2069 | S | 29.2 | Very low | 31.4 | Very low | 76 Ų | 76 | 119.6 Ų | 119.6 | 53% | 0.531 | 60% | 0.603 | S | S | . | * | trans | -171 | 119 | 156.5 | 47.6 | 0 | 0 | 0 | 0 | 114.2 | Q2065 | Q2065-S2069 PolarHBondContact O-N 3.01Š| ||
| 2070 | K | 23.1 | Very low | 30.9 | Very low | 90 Ų | 90 | 123.4 Ų | 123.4 | 39% | 0.391 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -110.7 | 90.7 | 147 | -135.3 | -170.3 | 180 | -158.2 | 0 | 107 | R185 L1554 | R185-K2070 PolarHBondContact NH1-O 3.23Å; L1554-K2070 PolarHBondContact O-NZ 3.45Å |
| 2071 | L | 27 | Very low | 30.2 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 76% | 0.764 | 62% | 0.618 | S | S | * | * | trans | 71.9 | 152.3 | -166.4 | -69.7 | 73.5 | 0 | 0 | 0 | 113.7 | ||||
| 2072 | S | 26.6 | Very low | 29.8 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 63% | 0.631 | S | S | * | * | cis | -124.1 | 147.9 | -0.3 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2073 | E | 28.7 | Very low | 29.3 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 64% | 0.641 | S | S | * | * | cis | -125.8 | 149.3 | 47.4 | -63.8 | -179.3 | 120.4 | 0 | 0 | 116.3 | ||||
| 2074 | R | 24 | Very low | 29 | Very low | 237 Ų | 237 | 134.2 Ų | 134.2 | 89% | 0.894 | 66% | 0.664 | S | S | * | * | trans | -145.5 | 140.9 | 141.1 | -144.1 | 179 | -168.4 | -174.5 | 5.4 | 108.4 | ||||
| 2075 | L | 24.7 | Very low | 28.6 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 71% | 0.707 | 68% | 0.683 | S | S | * | * | trans | 88.8 | 117.7 | -171.6 | -55.5 | 177.9 | 0 | 0 | 0 | 113.6 | ||||
| 2076 | R | 25.4 | Very low | 28.4 | Very low | 225 Ų | 225 | 135.2 Ų | 135.2 | 85% | 0.849 | 71% | 0.706 | S | S | * | * | S | Bend | cis | -144 | 157.1 | 0.4 | -79 | 127 | -175.9 | -162 | 4.5 | 108.7 | ||
| 2077 | A | 25.7 | Very low | 28.4 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | cis | -133.2 | 159.8 | 4.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2078 | G | 28.5 | Very low | 28.3 | Very low | 75 Ų | 75 | 136.9 Ų | 136.9 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | -132.2 | 145.6 | 81.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 2079 | R | 28.7 | Very low | 28.3 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | trans | -53.6 | 155.8 | 142.2 | -74.1 | 175.5 | 171.9 | -179.7 | -0.1 | 108.9 | ||||
| 2080 | R | 29.4 | Very low | 28.3 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 62% | 0.623 | 74% | 0.743 | S | S | * | * | cis | -173.1 | 147.8 | 4.1 | -115.8 | 166.4 | -178.4 | 173.7 | -2 | 109 | ||||
| 2081 | K | 31.7 | Very low | 28.5 | Very low | 133 Ų | 133 | 142 Ų | 142 | 58% | 0.578 | 76% | 0.763 | S | S | * | * | trans | 65.7 | 168.2 | 151.8 | -63.4 | 169.6 | -176.6 | 179.7 | 0 | 113.5 | ||||
| 2082 | R | 32.4 | Very low | 28.6 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | cis | -98.6 | 157.9 | 7.4 | -63.2 | 170.2 | 168.1 | 163.8 | -7 | 111.2 | E2036 | E2036-R2082 WeakPolarHBondContact OE1-CD 3.22Å; E2036-R2082 IonicContact OE1-CZ 2.63Å; E2036-R2082 IonicContact OE1-NE 4Å; E2036-R2082 IonicContact OE1-NH1 3.51Å; E2036-R2082 PolarHBondContact OE1-NH1 2.93Å | ||
| 2083 | R | 28.4 | Very low | 28.6 | Very low | 208 Ų | 208 | 141.1 Ų | 141.1 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | cis | 64 | 139.9 | 41.9 | -68.7 | -177.3 | 165 | -168.7 | -8 | 111.9 | ||||
| 2084 | G | 32.5 | Very low | 28.5 | Very low | 73 Ų | 73 | 137.3 Ų | 137.3 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | cis | -128.2 | -154.3 | -8.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2085 | S | 30.2 | Very low | 28.5 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 90% | 0.895 | 74% | 0.736 | S | S | * | * | cis | -156.2 | 146.1 | -2.2 | 37.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2086 | G | 28.8 | Very low | 28.6 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 88% | 0.876 | 73% | 0.732 | S | S | * | * | trans | -159.6 | 66.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2087 | S | 31 | Very low | 28.8 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | -103.3 | 154.8 | -177.7 | -97.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2088 | V | 29 | Very low | 28.8 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 56% | 0.558 | 71% | 0.714 | S | S | * | * | cis | -161.1 | 150.7 | -15.1 | 97.1 | 0 | 0 | 0 | 0 | 108.1 | N2090 | V2088-N2090 HydrophobicContact CG1-CB 4.07Å; V2088-N2090 WeakPolarHBondContact CG1-OD1 3.32Å; V2088-N2090 PolarHBondContact O-N 3.31Å | ||
| 2089 | G | 29.2 | Very low | 28.7 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 86% | 0.856 | 69% | 0.689 | S | S | * | * | trans | -77.1 | 106.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2090 | N | 30.4 | Very low | 28.8 | Very low | 112 Ų | 112 | 123 Ų | 123 | 60% | 0.599 | 67% | 0.674 | S | S | * | * | trans | -93.9 | 179.4 | 178 | -94.3 | -33.4 | 0 | 0 | 0 | 110.9 | V2088 | V2088-N2090 HydrophobicContact CG1-CB 4.07Å; V2088-N2090 WeakPolarHBondContact CG1-OD1 3.32Å; V2088-N2090 PolarHBondContact O-N 3.31Å | ||
| 2091 | F | 26.8 | Very low | 28.9 | Very low | 186 Ų | 186 | 120.8 Ų | 120.8 | 82% | 0.816 | 67% | 0.67 | S | S | * | * | trans | 86.4 | 127.5 | 164.6 | -68.1 | -96.7 | 0 | 0 | 0 | 116.8 | ||||
| 2092 | V | 28.4 | Very low | 28.7 | Very low | 97 Ų | 97 | 116.3 Ų | 116.3 | 59% | 0.588 | 66% | 0.656 | S | S | * | * | cis | -161 | 140.7 | -16.7 | 99.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 2093 | N | 27.2 | Very low | 28.2 | Very low | 138 Ų | 138 | 113.8 Ų | 113.8 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | 57.6 | 158.5 | 97.6 | -76.6 | -1.9 | 0 | 0 | 0 | 115.5 | |||||
| 2094 | V | 26.7 | Very low | 28.2 | Very low | 106 Ų | 106 | 111.8 Ų | 111.8 | 64% | 0.642 | 66% | 0.661 | S | S | * | * | cis | -156.7 | 132.3 | 17.9 | 95.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2095 | L | 24.6 | Very low | 27.8 | Very low | 141 Ų | 141 | 112 Ų | 112 | 74% | 0.738 | 65% | 0.652 | S | S | * | * | trans | 62.5 | 165.5 | 143.7 | -57.4 | 176.1 | 0 | 0 | 0 | 119.6 | ||||
| 2096 | N | 26.2 | Very low | 27.6 | Very low | 116 Ų | 116 | 112.4 Ų | 112.4 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | cis | -152.4 | 165.5 | 0.5 | -137.9 | -22.1 | 0 | 0 | 0 | 115.1 | ||||
| 2097 | K | 29.4 | Very low | 27.4 | Very low | 161 Ų | 161 | 114.4 Ų | 114.4 | 70% | 0.7 | 63% | 0.633 | S | S | * | * | trans | 66.1 | 129.7 | 150.1 | -76.7 | 174 | -178.2 | -177.9 | 0 | 120.4 | ||||
| 2098 | N | 25.3 | Very low | 27 | Very low | 105 Ų | 105 | 113.1 Ų | 113.1 | 56% | 0.561 | 62% | 0.624 | S | S | * | * | trans | 74.2 | 161 | 139 | -68.3 | 18.3 | 0 | 0 | 0 | 118.5 | ||||
| 2099 | M | 25.6 | Very low | 26.7 | Very low | 52 Ų | 52 | 116 Ų | 116 | 26% | 0.256 | 64% | 0.635 | S | S | . | * | cis | 173.5 | 90.2 | -24 | 175.2 | -157 | 178.7 | 0 | 0 | 110 | K1948 L1949 H1950 | K1948-M2099 HydrophobicContact CB-CG 4.15Å; K1948-M2099 HydrophobicContact CD-CE 3.7Å; K1948-M2099 HydrophobicContact CD-CG 3.54Å; K1948-M2099 HydrophobicContact CD-SD 4.3Å; K1948-M2099 WeakPolarHBondContact CE-O 3.23Å; K1948-M2099 HydrophobicContact CG-CG 3.69Å; K1948-M2099 PolarHBondContact NZ-O 3.21Å; L1949-M2099 HydrophobicContact CB-CG 4.14Å; L1949-M2099 HydrophobicContact CD1-CB 3.73Å; L1949-M2099 HydrophobicContact CD1-CG 3.95Å; H1950-M2099 VanDerWaalsContact CD2-CE 3.48Å; H1950-M2099 WeakPolarHBondContact CD2-CE 3.5Å; H1950-M2099 WeakPolarHBondContact NE2-CE 3.14Å | ||
| 2100 | E | 31.1 | Very low | 26.5 | Very low | 94 Ų | 94 | 117.7 Ų | 117.7 | 44% | 0.439 | 63% | 0.629 | S | S | . | * | trans | -166.3 | 130.6 | 165.9 | -123.3 | 93.1 | -127.5 | 0 | 0 | 113 | F1946 N1947 K1948 | F1946-E2100 CarbonylContact C-O 3.54Å; F1946-E2100 WeakPolarHBondContact CB-O 3.36Å; F1946-E2100 HydrophobicContact CD1-CB 3.88Å; F1946-E2100 WeakPolarHBondContact CD1-O 3.32Å; F1946-E2100 HydrophobicContact CE1-CB 4.11Å; F1946-E2100 WeakPolarHBondContact CG-O 3.26Å; N1947-E2100 PolarHBondContact N-O 2.86Å; N1947-E2100 PolarHBondContact ND2-N 2.81Å; N1947-E2100 VanDerWaalsContact ND2-N 3.11Å; N1947-E2100 PolarHBondContact ND2-O 3.22Å; K1948-E2100 VanDerWaalsContact CE-CA 3.47Å; K1948-E2100 WeakPolarHBondContact CE-OE1 3.26Å; K1948-E2100 IonicContact NZ-OE1 3.55Å; K1948-E2100 PolarHBondContact NZ-OE1 2.74Å | ||
| 2101 | H | 31.6 | Very low | 26.2 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 56% | 0.556 | 64% | 0.638 | S | S | * | * | B | Isolated β-bridge | trans | 47.8 | 124.8 | 153.7 | -58.4 | -57.5 | 0 | 0 | 0 | 132.1 | F1946 N1947 | F1946-H2101 CarbonylContact C-O 3.33Å; F1946-H2101 WeakPolarHBondContact CA-O 3.29Å; F1946-H2101 WeakPolarHBondContact CB-O 3.28Å; F1946-H2101 PolarHBondContact N-O 2.84Å; F1946-H2101 VanDerWaalsContact N-O 3.15Å; N1947-H2101 CarbonylContact O-C 3.47Å; N1947-H2101 WeakPolarHBondContact O-CA 3.28Å; N1947-H2101 PolarHBondContact O-N 2.73Å; N1947-H2101 VanDerWaalsContact O-N 3.13Å |
| 2102 | S | 27.8 | Very low | 26.3 | Very low | 39 Ų | 39 | 118.3 Ų | 118.3 | 27% | 0.273 | 64% | 0.636 | S | S | . | * | trans | 81 | 139.7 | 144.5 | 110.8 | 0 | 0 | 0 | 0 | 119.1 | H1945 F1946 N1947 | H1945-S2102 WeakPolarHBondContact CA-O 3.28Å; H1945-S2102 PolarHBondContact N-O 3.38Å; F1946-S2102 PolarHBondContact N-O 3.48Å; N1947-S2102 PolarHBondContact O-N 3.32Å | ||
| 2103 | D | 23.2 | Very low | 26.7 | Very low | 141 Ų | 141 | 118.1 Ų | 118.1 | 75% | 0.754 | 64% | 0.639 | S | S | * | * | S | Bend | cis | 69 | 165.8 | 17.3 | -50.8 | -45.1 | 0 | 0 | 0 | 117.3 | S2105 | D2103-S2105 PolarHBondContact O-N 2.7Š|
| 2104 | D | 26.9 | Very low | 26.7 | Very low | 165 Ų | 165 | 119.5 Ų | 119.5 | 88% | 0.882 | 64% | 0.641 | S | S | * | * | trans | -57.6 | 121 | -170.5 | -60 | -70.3 | 0 | 0 | 0 | 114.9 | ||||
| 2105 | S | 23.8 | Very low | 26.7 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 55% | 0.552 | 64% | 0.641 | S | S | * | * | trans | -154.8 | 134.3 | 147.9 | 57.6 | 0 | 0 | 0 | 0 | 106.8 | D2103 | D2103-S2105 PolarHBondContact O-N 2.7Š| ||
| 2106 | N | 27.6 | Very low | 26.9 | Very low | 135 Ų | 135 | 120.1 Ų | 120.1 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | cis | -131.6 | 144.5 | 24.1 | -75.9 | -75.3 | 0 | 0 | 0 | 109.9 | ||||
| 2107 | I | 23.4 | Very low | 27.2 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 65% | 0.651 | 64% | 0.641 | S | S | * | * | 57.7 | 86.3 | 63.7 | -56.7 | 165.4 | 0 | 0 | 0 | 107.8 | |||||
| 2108 | S | 23.1 | Very low | 27.2 | Very low | 86 Ų | 86 | 125.2 Ų | 125.2 | 60% | 0.601 | 65% | 0.647 | S | S | * | * | 61 | 144.1 | 62.8 | 91.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 2109 | L | 22.6 | Very low | 27.2 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 80% | 0.796 | 65% | 0.649 | S | S | * | * | trans | 71.6 | 146.3 | 177.5 | -46.8 | 171.5 | 0 | 0 | 0 | 113.1 | ||||
| 2110 | T | 24.8 | Very low | 27.2 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 73% | 0.73 | 67% | 0.671 | S | S | * | * | cis | -152.2 | -170.4 | 0.8 | -8.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2111 | E | 25.1 | Very low | 27 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | trans | 80.4 | 116 | 170 | -60 | -179.3 | -154.5 | 0 | 0 | 114.3 | ||||
| 2112 | N | 28.4 | Very low | 26.7 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 70% | 0.696 | S | S | * | * | S | Bend | cis | -138 | 153.8 | 7.3 | -89.9 | -48.6 | 0 | 0 | 0 | 112.1 | ||
| 2113 | S | 35.3 | Very low | 27.1 | Very low | 93 Ų | 93 | 139 Ų | 139 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | cis | -146 | 150.9 | 5.1 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2114 | E | 28.5 | Very low | 27.2 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | trans | 57.4 | 130.6 | 148.2 | -71.1 | -156.6 | 129.6 | 0 | 0 | 123.7 | ||||
| 2115 | L | 26.7 | Very low | 27.1 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 64% | 0.644 | 72% | 0.715 | S | S | * | * | trans | 71.3 | 101 | 136.3 | -61.8 | 169.1 | 0 | 0 | 0 | 123.9 | ||||
| 2116 | Q | 27.5 | Very low | 27.3 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 65% | 0.645 | 72% | 0.72 | S | S | * | * | 74 | 147.9 | 123.4 | -64.3 | -173.1 | 14.6 | 0 | 0 | 125 | |||||
| 2117 | K | 33.4 | Very low | 27.3 | Very low | 167 Ų | 167 | 145 Ų | 145 | 73% | 0.726 | 73% | 0.728 | S | S | * | * | trans | 77.6 | 121.7 | 157.5 | -71 | 142.8 | 178.8 | 155.7 | 0 | 116.9 | ||||
| 2118 | R | 29.4 | Very low | 27.7 | Very low | 217 Ų | 217 | 143.3 Ų | 143.3 | 82% | 0.819 | 73% | 0.732 | S | S | * | * | 75.7 | 138.8 | 69.2 | -78.1 | -170.3 | -177.1 | -162.5 | 3.9 | 112.7 | |||||
| 2119 | Q | 25.9 | Very low | 28.1 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 60% | 0.603 | 74% | 0.743 | S | S | * | * | cis | -170.7 | 162.3 | -5.5 | -128.3 | -179.6 | 22.3 | 0 | 0 | 111.7 | ||||
| 2120 | R | 25.7 | Very low | 28.6 | Very low | 188 Ų | 188 | 146.8 Ų | 146.8 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | trans | 78.4 | 130.1 | 146.8 | -72.1 | 170.5 | -170.8 | -107.6 | 11.2 | 124.9 | ||||
| 2121 | H | 25.5 | Very low | 28.8 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | 67 | 170.2 | 138.8 | -56.8 | -51.5 | 0 | 0 | 0 | 122.9 | ||||
| 2122 | S | 24.9 | Very low | 29 | Very low | 108 Ų | 108 | 150.3 Ų | 150.3 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -149.1 | 173.3 | -168.8 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2123 | P | 37.8 | Very low | 28.9 | Very low | 109 Ų | 109 | 149 Ų | 149 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | cis | -137 | -156.4 | 3.7 | 31.8 | -5.5 | 0 | 0 | 0 | 114.5 | ||||
| 2124 | I | 24.2 | Very low | 28.7 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | 98.2 | 124.3 | 155 | -66.6 | 163.1 | 0 | 0 | 0 | 121.4 | ||||
| 2125 | Y | 24.4 | Very low | 28.8 | Very low | 215 Ų | 215 | 145.7 Ų | 145.7 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | 50.7 | 124.5 | 152.7 | -89.4 | -110.7 | 0 | 0 | 0 | 126.9 | ||||
| 2126 | S | 28 | Very low | 28.9 | Very low | 95 Ų | 95 | 145 Ų | 145 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | 55.5 | 132.9 | 134 | 63.1 | 0 | 0 | 0 | 0 | 128 | ||||
| 2127 | E | 28.1 | Very low | 28.9 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | 89.6 | 139.8 | 139.7 | -80.9 | -179.2 | -178.5 | 0 | 0 | 126.1 | ||||
| 2128 | A | 32.9 | Very low | 28.6 | Very low | 91 Ų | 91 | 141.9 Ų | 141.9 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | 71 | 105.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 2129 | E | 31.3 | Very low | 28.5 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | 64.9 | 157.6 | 126.2 | -67.5 | -165.6 | 151 | 0 | 0 | 127.2 | |||||
| 2130 | E | 32.1 | Very low | 28.4 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | 62 | 97.7 | 165.1 | -68.3 | -83.2 | 86.6 | 0 | 0 | 122 | ||||
| 2131 | K | 29.6 | Very low | 28.8 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | 37.6 | 98 | 128.5 | -57 | 173.5 | -169 | 132.2 | 0 | 119.6 | |||||
| 2132 | Q | 29.8 | Very low | 28.9 | Very low | 195 Ų | 195 | 130.4 Ų | 130.4 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | -160.9 | 163.4 | 126.7 | -114 | 157.3 | 71.7 | 0 | 0 | 113.6 | |||||
| 2133 | S | 26.7 | Very low | 29 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -35.9 | 131.9 | -178.7 | 51.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2134 | G | 31.2 | Very low | 28.5 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | 163.3 | 150.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2135 | S | 29.4 | Very low | 29.1 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -120.3 | 152 | -177.6 | 67.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2136 | S | 28.9 | Very low | 29.4 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 74.5 | 98.7 | 164.9 | 67.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2137 | S | 28.3 | Very low | 29.3 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | 102.1 | 143.8 | 118.9 | 79 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 2138 | V | 26.6 | Very low | 29.2 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | 86.5 | 92.1 | 158.3 | -165.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2139 | S | 26.6 | Very low | 29.1 | Very low | 119 Ų | 119 | 124 Ų | 124 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | 67.7 | 131.6 | 141.9 | 73.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 2140 | G | 25.4 | Very low | 29 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -167 | 123.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2141 | P | 33 | Very low | 28.9 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -73 | 127.4 | 175.5 | 41.4 | -18.6 | 0 | 0 | 0 | 130.1 | ||||
| 2142 | I | 27.1 | Very low | 28.8 | Very low | 146 Ų | 146 | 123.3 Ų | 123.3 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | 55.4 | 131.7 | 128.9 | -66.3 | 169.5 | 0 | 0 | 0 | 123 | |||||
| 2143 | T | 27.8 | Very low | 28.7 | Very low | 118 Ų | 118 | 116 Ų | 116 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | trans | 67.5 | 150.3 | 162.8 | 49.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2144 | H | 26.4 | Very low | 28.7 | Very low | 172 Ų | 172 | 119.5 Ų | 119.5 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | cis | -154.7 | -164.8 | -14.6 | -121.3 | -23.8 | 0 | 0 | 0 | 110.5 | ||||
| 2145 | P | 37.7 | Very low | 28.7 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | trans | -128.9 | 167.4 | -155.5 | 44.4 | -29 | 0 | 0 | 0 | 118.8 | ||||
| 2146 | T | 29.6 | Very low | 28.6 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | trans | -158.8 | 158.6 | 142.9 | 7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2147 | L | 27.8 | Very low | 28.4 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 72% | 0.717 | 68% | 0.677 | S | S | * | * | trans | -24.6 | 164.5 | 164.1 | -63.9 | 170.9 | 0 | 0 | 0 | 120.6 | ||||
| 2148 | I | 25 | Very low | 28.5 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 65% | 0.646 | 65% | 0.653 | S | S | * | * | cis | -172.9 | 134 | -19.7 | -175.6 | 168.1 | 0 | 0 | 0 | 113.9 | ||||
| 2149 | P | 30.7 | Very low | 28.7 | Very low | 35 Ų | 35 | 128 Ų | 128 | 23% | 0.227 | 65% | 0.649 | C | S | . | * | trans | -111.8 | -169.8 | 168.5 | 38.9 | -36.1 | 0 | 0 | 0 | 115.4 | M2524 N2525 | P2149-M2524 VanDerWaalsContact CD-SD 3.5Å; P2149-M2524 HydrophobicContact CG-CB 4.36Å; P2149-M2524 HydrophobicContact CG-SD 4.07Å; P2149-N2525 HydrophobicContact CG-CB 4.03Å; P2149-N2525 WeakPolarHBondContact CG-O 3.41Å | ||
| 2150 | R | 29.8 | Very low | 28.8 | Very low | 172 Ų | 172 | 124.3 Ų | 124.3 | 65% | 0.649 | 63% | 0.625 | S | S | * | * | trans | -159.1 | 159.8 | -160.4 | -74.1 | 175.5 | 172.6 | -175.6 | -0.5 | 109.7 | Q2526 | R2150-Q2526 WeakPolarHBondContact O-CG 3.27Å; R2150-Q2526 PolarHBondContact O-NE2 3.3Å | ||
| 2151 | R | 30.1 | Very low | 29 | Very low | 173 Ų | 173 | 124.3 Ų | 124.3 | 65% | 0.653 | 61% | 0.614 | S | S | * | * | cis | -177.3 | 141.7 | -0.4 | -105.9 | 171.6 | 169.7 | -169.4 | -2.9 | 114.5 | D2527 | R2151-D2527 WeakPolarHBondContact CA-OD1 3.32Å; R2151-D2527 PolarHBondContact N-OD1 3.29Å; R2151-D2527 PolarHBondContact N-OD2 3.4Å | ||
| 2152 | K | 27.5 | Very low | 28.9 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 50% | 0.504 | 60% | 0.6 | S | S | . | * | trans | 78.5 | 164.5 | 157.4 | -66.8 | -165.8 | 174.4 | -166.3 | 0 | 119.1 | D2527 S2562 | K2152-D2527 PolarHBondContact N-OD1 3.27Å; K2152-S2562 PolarHBondContact NZ-OG 3.4Å | ||
| 2153 | A | 27.9 | Very low | 29 | Very low | 43 Ų | 43 | 122.7 Ų | 122.7 | 36% | 0.355 | 60% | 0.6 | S | S | . | * | cis | 96.3 | 154.9 | -3.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | R2560 E2561 | A2153-R2560 CarbonylContact O-C 3.06Å; A2153-E2561 PolarHBondContact O-N 3.06Å | ||
| 2154 | Y | 26.7 | Very low | 28.9 | Very low | 189 Ų | 189 | 122.3 Ų | 122.3 | 74% | 0.741 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | cis | -161.9 | 162.4 | 1.7 | -148.6 | 2.1 | 0 | 0 | 0 | 113.5 | P2559 R2560 | Y2154-P2559 VanDerWaalsContact C-CA 3.46Å; Y2154-P2559 HydrophobicContact CD1-CB 4.36Å; Y2154-R2560 CarbonylContact O-C 3.55Å; Y2154-R2560 VanDerWaalsContact O-C 3.26Å; Y2154-R2560 WeakPolarHBondContact O-CA 3.43Å; Y2154-R2560 PolarHBondContact O-N 3.28Å |
| 2155 | R | 29.9 | Very low | 28.9 | Very low | 198 Ų | 198 | 121.9 Ų | 121.9 | 75% | 0.747 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | 64.9 | 144.6 | -174.8 | -58.1 | 176.4 | 168.8 | -174.8 | -3.5 | 121.1 | S2558 P2559 R2560 | R2155-S2558 CarbonylContact C-O 3.56Å; R2155-S2558 WeakPolarHBondContact CA-O 3.3Å; R2155-P2559 VanDerWaalsContact N-CA 3.3Å; R2155-P2559 CarbonylContact O-C 3.59Å; R2155-P2559 WeakPolarHBondContact O-CA 3.33Å; R2155-R2560 PolarHBondContact O-N 3.29Å |
| 2156 | L | 27.5 | Very low | 28.4 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 59% | 0.592 | 60% | 0.599 | S | S | * | * | cis | -166.2 | 156.1 | -15 | -106.9 | 175.8 | 0 | 0 | 0 | 114 | R2557 S2558 | L2156-R2557 CarbonylContact C-O 3.57Å; L2156-S2558 VanDerWaalsContact C-CB 3.5Å; L2156-S2558 WeakPolarHBondContact CA-O 3.3Å; L2156-S2558 PolarHBondContact N-O 3.29Å | ||
| 2157 | R | 26.1 | Very low | 28.1 | Very low | 201 Ų | 201 | 126 Ų | 126 | 76% | 0.758 | 60% | 0.604 | S | S | * | * | trans | 87.6 | 129.3 | 150.8 | -74.2 | 176.6 | 179.6 | -144.5 | -0.3 | 128.7 | R2557 | R2157-R2557 WeakPolarHBondContact CA-O 3.26Å; R2157-R2557 VanDerWaalsContact N-C 3.34Å; R2157-R2557 PolarHBondContact N-O 3.11Å | ||
| 2158 | G | 29.2 | Very low | 28.1 | Very low | 26 Ų | 26 | 130 Ų | 130 | 27% | 0.268 | 61% | 0.61 | S | S | . | * | trans | 72.6 | 129.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | V2556 R2557 | G2158-V2556 CarbonylContact C-O 3.56Å; G2158-V2556 VanDerWaalsContact C-O 3.29Å; G2158-V2556 WeakPolarHBondContact CA-O 3.49Å; G2158-V2556 PolarHBondContact N-O 2.73Å; G2158-R2557 VanDerWaalsContact C-CG 3.45Å; G2158-R2557 WeakPolarHBondContact O-CD 3.5Å; G2158-R2557 WeakPolarHBondContact O-CG 3.22Å; G2158-R2557 PolarHBondContact O-NE 3.01Å; G2158-R2557 PolarHBondContact O-NH1 2.69Å | ||
| 2159 | R | 30.7 | Very low | 28 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 68% | 0.683 | 62% | 0.619 | S | S | * | * | cis | -162.1 | 133.8 | -0 | -107.1 | 172.8 | 159.6 | -179.8 | -9.1 | 113.9 | I2554 P2555 V2556 | R2159-I2554 HydrophobicContact CB-CG2 4.22Å; R2159-I2554 VanDerWaalsContact CD-CG2 3.4Å; R2159-I2554 HydrophobicContact CG-CG2 3.79Å; R2159-I2554 VanDerWaalsContact NE-CG2 3.32Å; R2159-I2554 PolarHBondContact NE-O 3.47Å; R2159-I2554 VanDerWaalsContact NE-O 3.12Å; R2159-P2555 CarbonylContact C-O 3.25Å; R2159-P2555 WeakPolarHBondContact CA-O 3.47Å; R2159-V2556 WeakPolarHBondContact CA-O 3.31Å; R2159-V2556 PolarHBondContact N-O 2.99Å | ||
| 2160 | A | 29.9 | Very low | 27.8 | Very low | 41 Ų | 41 | 142.8 Ų | 142.8 | 34% | 0.339 | 65% | 0.653 | S | S | . | * | 70.7 | 158.1 | 121.4 | 0 | 0 | 0 | 0 | 0 | 130.4 | I2554 P2555 | A2160-I2554 HydrophobicContact CB-CB 3.77Å; A2160-I2554 HydrophobicContact CB-CD1 4.33Å; A2160-I2554 HydrophobicContact CB-CG1 3.59Å; A2160-I2554 HydrophobicContact CB-CG2 3.51Å; A2160-P2555 VanDerWaalsContact CA-O 3.24Å; A2160-P2555 WeakPolarHBondContact CA-O 3.45Å; A2160-P2555 HydrophobicContact CB-CG 4.39Å; A2160-P2555 VanDerWaalsContact CB-N 3.33Å; A2160-P2555 VanDerWaalsContact CB-O 3.27Å; A2160-P2555 WeakPolarHBondContact CB-O 3.46Å; A2160-P2555 PolarHBondContact N-O 3.22Å | |||
| 2161 | S | 29.8 | Very low | 27.7 | Very low | 74 Ų | 74 | 144 Ų | 144 | 52% | 0.517 | 67% | 0.668 | S | S | . | * | trans | 73.3 | 145.1 | 147.9 | 44 | 0 | 0 | 0 | 0 | 122.3 | I2554 | S2161-I2554 WeakPolarHBondContact OG-CD1 3.5Å; S2161-I2554 WeakPolarHBondContact OG-CG1 3.48Å | ||
| 2162 | D | 29.5 | Very low | 27.6 | Very low | 89 Ų | 89 | 139 Ų | 139 | 48% | 0.476 | 67% | 0.67 | S | S | . | * | cis | -165.6 | 146.8 | -13.6 | -103.2 | -22 | 0 | 0 | 0 | 112.7 | K2553 | D2162-K2553 VanDerWaalsContact OD2-CE 3.27Å; D2162-K2553 WeakPolarHBondContact OD2-CE 3.39Å | ||
| 2163 | L | 29.3 | Very low | 27.4 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | trans | 59.2 | 153.4 | 143.4 | -59.7 | 170.4 | 0 | 0 | 0 | 120.4 | ||||
| 2164 | T | 26.9 | Very low | 27.4 | Very low | 110 Ų | 110 | 147.4 Ų | 147.4 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | cis | -158.9 | 158 | 10.8 | -10.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2165 | I | 25.7 | Very low | 27.3 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | trans | 82.8 | 147.6 | 140.5 | -82.5 | 163.1 | 0 | 0 | 0 | 124.2 | ||||
| 2166 | A | 26.9 | Very low | 27.1 | Very low | 82 Ų | 82 | 150.8 Ų | 150.8 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | trans | 86.1 | 69 | 156.4 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 2167 | R | 24.4 | Very low | 27 | Very low | 234 Ų | 234 | 152.1 Ų | 152.1 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | 28.7 | 122.7 | 120.1 | -57.5 | 170.4 | 167.9 | 172 | -5.7 | 119.9 | |||||
| 2168 | R | 26 | Very low | 27.2 | Very low | 222 Ų | 222 | 149.3 Ų | 149.3 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | 177.3 | 132.3 | 94.3 | -92.9 | -167.5 | 173.1 | 154.8 | -0.3 | 115.4 | |||||
| 2169 | Y | 24.1 | Very low | 27.2 | Very low | 214 Ų | 214 | 154 Ų | 154 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | trans | 15.6 | 115.3 | 153.9 | -57.6 | -87.2 | 0 | 0 | 0 | 122.1 | ||||
| 2170 | K | 26.9 | Very low | 26.8 | Very low | 215 Ų | 215 | 149.9 Ų | 149.9 | 94% | 0.935 | 74% | 0.742 | S | S | * | * | -164.7 | 106.3 | 126.4 | -108.3 | 160.9 | -174 | 171.3 | 0 | 111.1 | |||||
| 2171 | M | 27.1 | Very low | 26.5 | Very low | 197 Ų | 197 | 159 Ų | 159 | 97% | 0.97 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 132.5 | 179.3 | -92.3 | -67 | -152.1 | 0 | 0 | 112.5 | ||
| 2172 | G | 27 | Very low | 26.3 | Very low | 68 Ų | 68 | 160 Ų | 160 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 169.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 2173 | R | 23.1 | Very low | 26.1 | Very low | 234 Ų | 234 | 165.3 Ų | 165.3 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 170.9 | 154.9 | -65.1 | 177.4 | 168.5 | -169 | -3.7 | 108.2 | ||
| 2174 | P | 28 | Very low | 26 | Very low | 103 Ų | 103 | 170.1 Ų | 170.1 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | cis | -149.4 | -171 | 21.1 | 45.1 | -24.7 | 0 | 0 | 0 | 117.4 | ||||
| 2175 | R | 26.2 | Very low | 25.9 | Very low | 229 Ų | 229 | 169.6 Ų | 169.6 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | 56 | 124.5 | 149.5 | -73.8 | 165.5 | -173.1 | -121.3 | 4.8 | 118.4 | ||||
| 2176 | R | 24.8 | Very low | 26 | Very low | 228 Ų | 228 | 168.2 Ų | 168.2 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | 48.5 | 124.7 | 71.9 | -72.5 | -166.2 | 177.1 | -176.6 | -0.2 | 113.1 | |||||
| 2177 | L | 24.8 | Very low | 26 | Very low | 141 Ų | 141 | 172.3 Ų | 172.3 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | cis | -158.8 | 170.1 | 15.9 | -113.5 | 162.9 | 0 | 0 | 0 | 111.9 | ||||
| 2178 | L | 31.6 | Very low | 26 | Very low | 143 Ų | 143 | 170.9 Ų | 170.9 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | -51.5 | 151.9 | 172.1 | -59.5 | 159.8 | 0 | 0 | 0 | 113.6 | V2180 | L2178-V2180 HydrophobicContact CB-CG2 4.23Š| ||
| 2179 | P | 27.9 | Very low | 26.3 | Very low | 124 Ų | 124 | 164.8 Ų | 164.8 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | -143.3 | 172.5 | 106.3 | 31.4 | -14.5 | 0 | 0 | 0 | 114.9 | |||||
| 2180 | V | 23.9 | Very low | 26.2 | Very low | 95 Ų | 95 | 159.3 Ų | 159.3 | 58% | 0.576 | 78% | 0.777 | S | S | * | * | cis | 162.1 | 137.2 | -38.3 | 144.2 | 0 | 0 | 0 | 0 | 109.5 | L2178 | L2178-V2180 HydrophobicContact CB-CG2 4.23Š| ||
| 2181 | R | 23.6 | Very low | 26 | Very low | 231 Ų | 231 | 157.8 Ų | 157.8 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | 69.1 | 155.8 | 168.1 | -75.2 | 159.9 | -166.4 | 166.3 | 1.9 | 116.7 | ||||
| 2182 | S | 24.4 | Very low | 25.9 | Very low | 95 Ų | 95 | 152.5 Ų | 152.5 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | cis | -166.7 | -158.5 | -15.9 | 51.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2183 | R | 26.5 | Very low | 25.8 | Very low | 201 Ų | 201 | 156.8 Ų | 156.8 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | cis | -170.3 | 116.6 | 15.8 | -144.3 | 174.7 | -171.6 | -178.4 | 3.6 | 111.1 | ||||
| 2184 | R | 26.6 | Very low | 25.9 | Very low | 244 Ų | 244 | 148 Ų | 148 | 92% | 0.921 | 75% | 0.748 | S | S | * | * | trans | 171.2 | 126.3 | 154.7 | -97 | 162.8 | -159.7 | -140.8 | 6.9 | 109.5 | ||||
| 2185 | S | 23.4 | Very low | 25.8 | Very low | 99 Ų | 99 | 154 Ų | 154 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | cis | 116.7 | 92 | 2.4 | 78.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2186 | V | 28.3 | Very low | 25.8 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -130.2 | 175.1 | 155.1 | -179 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 2187 | Q | 26.9 | Very low | 25.8 | Very low | 167 Ų | 167 | 145 Ų | 145 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | trans | -56.5 | 151.9 | -161.9 | -65.1 | 99.2 | -26.8 | 0 | 0 | 115.4 | ||||
| 2188 | R | 25 | Very low | 25.8 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | cis | 75.2 | 156.7 | 30.2 | -107.6 | -158.1 | 171.6 | -142.5 | -6.9 | 114.4 | ||||
| 2189 | P | 31.5 | Very low | 25.5 | Very low | 95 Ų | 95 | 151.2 Ų | 151.2 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | -136 | -177.5 | -115.6 | 39.5 | -19.2 | 0 | 0 | 0 | 116.1 | |||||
| 2190 | S | 22.3 | Very low | 25.5 | Very low | 98 Ų | 98 | 150.3 Ų | 150.3 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | 50 | 116.3 | 147 | 63.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2191 | H | 23.7 | Very low | 25.6 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | 69.9 | 103.7 | 153.7 | -79.5 | -101 | 0 | 0 | 0 | 120.6 | ||||
| 2192 | A | 25.6 | Very low | 25.6 | Very low | 86 Ų | 86 | 147.2 Ų | 147.2 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | 77.5 | 167.7 | 127.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 2193 | I | 24.6 | Very low | 25.7 | Very low | 158 Ų | 158 | 149 Ų | 149 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | 71.2 | 122.8 | -174.4 | -47 | 169.9 | 0 | 0 | 0 | 112.3 | ||||
| 2194 | G | 25 | Very low | 25.7 | Very low | 50 Ų | 50 | 145.5 Ų | 145.5 | 52% | 0.515 | 73% | 0.729 | S | S | . | * | cis | 112.2 | 105.2 | -4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2195 | Y | 25.5 | Very low | 25.8 | Very low | 228 Ų | 228 | 140.4 Ų | 140.4 | 89% | 0.894 | 72% | 0.715 | S | S | * | * | trans | -115.6 | 108.4 | 169.1 | -78 | -94.3 | 0 | 0 | 0 | 108.1 | ||||
| 2196 | R | 25 | Very low | 25.9 | Very low | 217 Ų | 217 | 144 Ų | 144 | 82% | 0.819 | 72% | 0.719 | S | S | * | * | 60.3 | 100.8 | 58.5 | -66 | -168.4 | 166.8 | -152.5 | -1.2 | 113.3 | |||||
| 2197 | S | 25.1 | Very low | 25.9 | Very low | 51 Ų | 51 | 146.6 Ų | 146.6 | 36% | 0.357 | 72% | 0.716 | S | S | . | * | trans | 23.7 | 116.1 | 136 | -163.4 | 0 | 0 | 0 | 0 | 117.6 | K1792 S1793 | K1792-S2197 PolarHBondContact O-OG 3.34Å; S1793-S2197 WeakPolarHBondContact CB-OG 3.41Å; S1793-S2197 PolarHBondContact N-OG 2.91Å; S1793-S2197 VanDerWaalsContact N-OG 3.14Å; S1793-S2197 VanDerWaalsContact O-CA 3.27Å; S1793-S2197 WeakPolarHBondContact O-CA 3.35Å; S1793-S2197 WeakPolarHBondContact O-CB 3.47Å; S1793-S2197 PolarHBondContact O-N 3.3Å | ||
| 2198 | M | 26.4 | Very low | 26.1 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 86% | 0.857 | 71% | 0.711 | S | S | * | * | trans | -68.4 | 171.3 | 154.7 | -73.8 | -163.3 | 169.2 | 0 | 0 | 111.2 | ||||
| 2199 | R | 25.4 | Very low | 26.2 | Very low | 242 Ų | 242 | 140 Ų | 140 | 91% | 0.913 | 71% | 0.709 | S | S | * | * | trans | -99.3 | 125.2 | -176.5 | -67.6 | 172.6 | 168.8 | 179.1 | -4.9 | 111.4 | ||||
| 2200 | S | 26 | Very low | 26 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | 179.8 | 130.4 | 124.9 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 2201 | T | 25.8 | Very low | 26.2 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | trans | 62.9 | 112.7 | 149 | 45.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 2202 | E | 24.8 | Very low | 26.5 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | trans | 94.8 | 115.8 | 142.2 | -56.3 | -136.9 | 103.3 | 0 | 0 | 123.1 | ||||
| 2203 | Q | 26.2 | Very low | 26.8 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 62% | 0.617 | 68% | 0.683 | S | S | * | * | trans | 45 | 157.5 | 136.6 | -49.7 | -163.8 | 46.9 | 0 | 0 | 123.3 | ||||
| 2204 | K | 27.4 | Very low | 26.8 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 56% | 0.557 | 67% | 0.665 | S | S | * | * | -163.7 | 150.3 | -53.3 | -130.8 | -177.6 | 166 | -164.4 | 0 | 110.3 | |||||
| 2205 | H | 27.1 | Very low | 26.9 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 63% | 0.634 | 67% | 0.673 | S | S | * | * | trans | 62.1 | 119.7 | 159.2 | -72.5 | -74.5 | 0 | 0 | 0 | 125.8 | ||||
| 2206 | F | 26.9 | Very low | 27.1 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 77% | 0.768 | 66% | 0.661 | S | S | * | * | 62.7 | 122.1 | 119.9 | -88.7 | -112.1 | 0 | 0 | 0 | 126.7 | |||||
| 2207 | Y | 27.5 | Very low | 27.4 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 74% | 0.741 | 65% | 0.651 | S | S | * | * | 75.4 | 123 | 129.8 | -105.8 | -107.9 | 0 | 0 | 0 | 125.6 | |||||
| 2208 | N | 30.9 | Very low | 27.6 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 68% | 0.684 | 67% | 0.667 | S | S | * | * | trans | 61.7 | 122.4 | 147.3 | -78.3 | 11.6 | 0 | 0 | 0 | 126.4 | ||||
| 2209 | S | 27.8 | Very low | 27.6 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 72% | 0.72 | 65% | 0.653 | S | S | * | * | trans | 80.1 | 116.8 | 137.8 | 69.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 2210 | T | 26.9 | Very low | 27.8 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | trans | 79.9 | 110.4 | 139.4 | -50.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2211 | M | 25.8 | Very low | 27.9 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 70% | 0.704 | 64% | 0.635 | S | S | * | * | trans | 24.9 | 131 | 136.4 | -68.7 | -156.2 | -178.9 | 0 | 0 | 118.9 | S2248 | M2211-S2248 PolarHBondContact O-OG 3.42Š| ||
| 2212 | R | 31.3 | Very low | 27.9 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 38% | 0.381 | 64% | 0.635 | S | S | . | * | cis | 177.7 | 127.8 | 23.1 | -109.8 | 169.9 | 161.3 | -162.9 | -7.8 | 111.6 | C2245 M2246 A2247 S2248 | R2212-C2245 PolarHBondContact NH2-O 2.95Å; R2212-M2246 HydrophobicContact CB-CB 3.91Å; R2212-M2246 HydrophobicContact CB-CG 4.31Å; R2212-M2246 HydrophobicContact CB-SD 4.14Å; R2212-M2246 HydrophobicContact CG-CB 3.61Å; R2212-M2246 HydrophobicContact CG-CG 3.61Å; R2212-M2246 HydrophobicContact CG-SD 3.62Å; R2212-M2246 PolarHBondContact NH1-O 3.46Å; R2212-A2247 HydrophobicContact CB-CB 4.2Å; R2212-A2247 WeakPolarHBondContact CD-O 3.37Å; R2212-A2247 PolarHBondContact NH1-O 3.08Å; R2212-A2247 WeakPolarHBondContact O-CB 3.2Å; R2212-S2248 PolarHBondContact N-OG 3.49Å; R2212-S2248 WeakPolarHBondContact O-CB 3.33Å; R2212-S2248 PolarHBondContact O-N 3.4Å; R2212-S2248 VanDerWaalsContact O-N 3.1Å; R2212-S2248 PolarHBondContact O-OG 2.87Å | ||
| 2213 | N | 30.9 | Very low | 28.1 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | trans | 48.1 | 168.4 | 148 | -114.8 | 5.9 | 0 | 0 | 0 | 123 | C2245 M2246 A2247 | N2213-C2245 PolarHBondContact ND2-SG 3.35Å; N2213-C2245 VanDerWaalsContact ND2-SG 3.38Å; N2213-M2246 HydrophobicContact CB-CB 3.68Å; N2213-M2246 HydrophobicContact CB-CG 3.99Å; N2213-M2246 HydrophobicContact CB-SD 3.44Å; N2213-M2246 WeakPolarHBondContact CB-SD 3.48Å; N2213-M2246 PolarHBondContact ND2-SD 2.95Å; N2213-M2246 VanDerWaalsContact ND2-SD 3.37Å; N2213-A2247 HydrophobicContact CB-CB 3.57Å | ||
| 2214 | M | 25.9 | Very low | 28.3 | Very low | 88 Ų | 88 | 127 Ų | 127 | 43% | 0.433 | 64% | 0.637 | S | S | . | * | cis | -159.2 | 166.9 | -4.8 | -158.8 | 169.1 | 32 | 0 | 0 | 110.4 | L2244 C2245 | M2214-L2244 HydrophobicContact CE-CD2 4.46Å; M2214-C2245 HydrophobicContact CE-CB 4.39Å; M2214-C2245 HydrophobicContact SD-CB 4.47Å; M2214-C2245 VanDerWaalsContact SD-SG 3.68Å | ||
| 2215 | L | 26.3 | Very low | 28.4 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 68% | 0.681 | 65% | 0.647 | S | S | * | * | trans | 70.8 | 146.2 | 165.2 | -53.4 | 178.1 | 0 | 0 | 0 | 114.9 | ||||
| 2216 | Q | 30.8 | Very low | 28.6 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 64% | 0.64 | 65% | 0.65 | S | S | * | * | cis | -148.9 | 145.5 | -4.4 | -122.3 | 179.2 | 16.6 | 0 | 0 | 108.6 | ||||
| 2217 | Q | 30.2 | Very low | 28.7 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 61% | 0.607 | 65% | 0.649 | S | S | * | * | 58.5 | 145.3 | 106.7 | -74.1 | -177.8 | 18.2 | 0 | 0 | 116 | |||||
| 2218 | K | 29.2 | Very low | 28.8 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 69% | 0.691 | 65% | 0.653 | S | S | * | * | cis | -172.3 | 175 | 21.3 | -134.3 | 168.2 | -176.8 | 150.1 | 0 | 113.3 | ||||
| 2219 | C | 27.1 | Very low | 28.6 | Very low | 85 Ų | 85 | 123.9 Ų | 123.9 | 57% | 0.574 | 65% | 0.653 | S | S | * | * | trans | 74.9 | 150.5 | 142.5 | -72.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2220 | H | 28.9 | Very low | 28.6 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 69% | 0.69 | 66% | 0.655 | S | S | * | * | cis | -157.7 | 149.9 | -2.6 | -131.8 | -42.6 | 0 | 0 | 0 | 115.9 | ||||
| 2221 | T | 29 | Very low | 28.7 | Very low | 93 Ų | 93 | 129.5 Ų | 129.5 | 57% | 0.571 | 66% | 0.659 | S | S | * | * | trans | 61.8 | 128.8 | 147.9 | 39.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2222 | M | 26.1 | Very low | 29.1 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 78% | 0.778 | 66% | 0.66 | S | S | * | * | 76.7 | 158.1 | 61.8 | -69 | -154.3 | -76.3 | 0 | 0 | 113.5 | |||||
| 2223 | L | 28.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | cis | -148.4 | -178.4 | 18.8 | -122.6 | 131.3 | 0 | 0 | 0 | 107.3 | ||||
| 2224 | S | 30.1 | Very low | 28.7 | Very low | 79 Ų | 79 | 130.9 Ų | 130.9 | 55% | 0.552 | 69% | 0.687 | S | S | * | * | cis | -163.3 | 166.8 | 9.7 | 72.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2225 | N | 30 | Very low | 28.9 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | trans | 60.1 | 139 | 140.6 | -62 | -18.5 | 0 | 0 | 0 | 121.9 | ||||
| 2226 | S | 30.7 | Very low | 28.9 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | cis | -162.6 | -151.5 | -2.6 | 46.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 2227 | K | 29.6 | Very low | 28.8 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | cis | -169.3 | 140 | 11.2 | -146.2 | 175.2 | -175.6 | 178.4 | 0 | 109.8 | ||||
| 2228 | Q | 28 | Very low | 28.7 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | trans | 61.4 | 136.8 | 168.8 | -68.3 | 178.3 | -5.7 | 0 | 0 | 116.4 | ||||
| 2229 | C | 27.5 | Very low | 28.8 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | cis | -161.2 | 173 | 3.6 | -98 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 2230 | K | 28.1 | Very low | 28.9 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | cis | -160.7 | 127.4 | -3.1 | -122.3 | 168.5 | -179 | -178.6 | 0 | 109.1 | ||||
| 2231 | M | 28.6 | Very low | 29 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | 55.4 | 152.7 | 141.9 | -56.4 | -53.6 | 175.6 | 0 | 0 | 123.6 | ||||
| 2232 | P | 34.2 | Very low | 29.1 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | cis | -134.4 | 161.4 | -24.7 | 35 | -16.1 | 0 | 0 | 0 | 117.1 | ||||
| 2233 | T | 25.4 | Very low | 29.1 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -43.2 | 151.8 | 169.2 | 52.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2234 | N | 28.5 | Very low | 29 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | 174.3 | 154.5 | 101.9 | -101.1 | -66.2 | 0 | 0 | 0 | 117.2 | |||||
| 2235 | R | 30.7 | Very low | 28.9 | Very low | 219 Ų | 219 | 146.9 Ų | 146.9 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | 47.3 | 131.9 | 150.1 | -63.1 | 171.6 | -171 | -156.3 | -0.1 | 120.1 | ||||
| 2236 | R | 25.8 | Very low | 28.7 | Very low | 245 Ų | 245 | 144.7 Ų | 144.7 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | cis | 84.7 | 92.7 | 43.9 | -77.5 | -170.6 | 171.5 | -176.4 | -0.4 | 116.4 | ||||
| 2237 | A | 29.5 | Very low | 28.6 | Very low | 94 Ų | 94 | 142.5 Ų | 142.5 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | trans | -165.4 | 123.5 | 131.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 2238 | R | 27.3 | Very low | 28.6 | Very low | 237 Ų | 237 | 137.8 Ų | 137.8 | 89% | 0.894 | 73% | 0.732 | S | S | * | * | 63.1 | 84.2 | 68.3 | -82.3 | -166.9 | 173.9 | 176.6 | -2.7 | 114.7 | |||||
| 2239 | N | 31.7 | Very low | 28.5 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | 158.1 | 152.7 | 120.2 | -79.2 | -6.3 | 0 | 0 | 0 | 110.4 | |||||
| 2240 | L | 28.4 | Very low | 28.7 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | cis | -161.7 | 147.8 | -41.1 | -134.1 | 166.2 | 0 | 0 | 0 | 107.2 | ||||
| 2241 | S | 30.4 | Very low | 28.8 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | 67.9 | 144.9 | -172.4 | 79.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2242 | G | 31.5 | Very low | 28.8 | Very low | 75 Ų | 75 | 140.2 Ų | 140.2 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | cis | 162 | 80.2 | -14.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | L2244 | G2242-L2244 PolarHBondContact O-N 2.88Š| ||
| 2243 | Q | 26 | Very low | 28.5 | Very low | 198 Ų | 198 | 146 Ų | 146 | 93% | 0.925 | 75% | 0.747 | S | S | * | * | trans | -66.5 | 117.1 | 161.5 | -75.8 | -174.8 | -11.2 | 0 | 0 | 110.8 | ||||
| 2244 | L | 27.6 | Very low | 28.7 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | -149.3 | 102.3 | 157.5 | -85.4 | -171.4 | 0 | 0 | 0 | 114.2 | M2214 G2242 | M2214-L2244 HydrophobicContact CE-CD2 4.46Å; G2242-L2244 PolarHBondContact O-N 2.88Å | ||
| 2245 | C | 27.1 | Very low | 28.8 | Very low | 63 Ų | 63 | 149.7 Ų | 149.7 | 43% | 0.426 | 75% | 0.753 | S | S | . | * | 67.8 | -121.4 | 127.8 | -63.5 | 0 | 0 | 0 | 0 | 120.4 | R2212 N2213 M2214 | R2212-C2245 PolarHBondContact NH2-O 2.95Å; N2213-C2245 PolarHBondContact ND2-SG 3.35Å; N2213-C2245 VanDerWaalsContact ND2-SG 3.38Å; M2214-C2245 HydrophobicContact CE-CB 4.39Å; M2214-C2245 HydrophobicContact SD-CB 4.47Å; M2214-C2245 VanDerWaalsContact SD-SG 3.68Å | |||
| 2246 | M | 27 | Very low | 28.8 | Very low | 97 Ų | 97 | 150.5 Ų | 150.5 | 48% | 0.478 | 76% | 0.756 | S | S | . | * | -144 | -112.7 | -127.8 | -64.1 | -170 | -173.2 | 0 | 0 | 112.8 | R2212 N2213 | R2212-M2246 HydrophobicContact CB-CB 3.91Å; R2212-M2246 HydrophobicContact CB-CG 4.31Å; R2212-M2246 HydrophobicContact CB-SD 4.14Å; R2212-M2246 HydrophobicContact CG-CB 3.61Å; R2212-M2246 HydrophobicContact CG-CG 3.61Å; R2212-M2246 HydrophobicContact CG-SD 3.62Å; R2212-M2246 PolarHBondContact NH1-O 3.46Å; N2213-M2246 HydrophobicContact CB-CB 3.68Å; N2213-M2246 HydrophobicContact CB-CG 3.99Å; N2213-M2246 HydrophobicContact CB-SD 3.44Å; N2213-M2246 WeakPolarHBondContact CB-SD 3.48Å; N2213-M2246 PolarHBondContact ND2-SD 2.95Å; N2213-M2246 VanDerWaalsContact ND2-SD 3.37Å | |||
| 2247 | A | 27.9 | Very low | 28.7 | Very low | 52 Ų | 52 | 141.6 Ų | 141.6 | 43% | 0.43 | 74% | 0.74 | S | S | . | * | cis | -70.9 | -169.6 | -41.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | R2212 N2213 | R2212-A2247 HydrophobicContact CB-CB 4.2Å; R2212-A2247 WeakPolarHBondContact CD-O 3.37Å; R2212-A2247 PolarHBondContact NH1-O 3.08Å; R2212-A2247 WeakPolarHBondContact O-CB 3.2Å; N2213-A2247 HydrophobicContact CB-CB 3.57Å | ||
| 2248 | S | 28.8 | Very low | 28.6 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 52% | 0.524 | 74% | 0.739 | S | S | . | * | trans | -78.2 | 176.6 | 164.6 | -68.6 | 0 | 0 | 0 | 0 | 113.1 | M2211 R2212 | M2211-S2248 PolarHBondContact O-OG 3.42Å; R2212-S2248 PolarHBondContact N-OG 3.49Å; R2212-S2248 WeakPolarHBondContact O-CB 3.33Å; R2212-S2248 PolarHBondContact O-N 3.4Å; R2212-S2248 VanDerWaalsContact O-N 3.1Å; R2212-S2248 PolarHBondContact O-OG 2.87Å | ||
| 2249 | R | 27.3 | Very low | 28.6 | Very low | 237 Ų | 237 | 142.3 Ų | 142.3 | 89% | 0.894 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -71.8 | 146.5 | 165 | -74.5 | 177.5 | 165.4 | -176.7 | -5.4 | 111.8 | ||
| 2250 | R | 30.9 | Very low | 28.2 | Very low | 239 Ų | 239 | 142 Ų | 142 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | trans | 66 | 146.9 | 166.9 | -69 | -178.8 | 176.8 | 175.5 | -0.6 | 114.8 | ||||
| 2251 | T | 29.3 | Very low | 27.9 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 86% | 0.859 | 72% | 0.724 | S | S | * | * | cis | -155.7 | 161.2 | -0.1 | 16.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 2252 | G | 29.5 | Very low | 27.8 | Very low | 62 Ų | 62 | 146.4 Ų | 146.4 | 64% | 0.639 | 73% | 0.728 | S | S | * | * | cis | 147.9 | 173.6 | 1.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2253 | R | 27.7 | Very low | 27.3 | Very low | 235 Ų | 235 | 154.1 Ų | 154.1 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | trans | 73.3 | 150.2 | -176.8 | -57.1 | 178.5 | 175.4 | 167.9 | -0.9 | 112.7 | ||||
| 2254 | V | 30.2 | Very low | 27.7 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | cis | -136.3 | 124.7 | 40.4 | 152.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2255 | Y | 29.7 | Very low | 27.5 | Very low | 199 Ų | 199 | 151.3 Ų | 151.3 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | trans | 49 | 156.3 | 150.8 | -65.7 | -107.1 | 0 | 0 | 0 | 119.4 | ||||
| 2256 | R | 31.8 | Very low | 27.3 | Very low | 235 Ų | 235 | 152 Ų | 152 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | cis | -142.9 | 162.8 | 14.3 | -147.3 | 174.7 | -159.7 | 168.8 | 3.7 | 109.5 | ||||
| 2257 | G | 23.4 | Very low | 27.1 | Very low | 58 Ų | 58 | 156.6 Ų | 156.6 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | trans | -111.8 | -159.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2258 | E | 28 | Very low | 26.9 | Very low | 159 Ų | 159 | 157.9 Ų | 157.9 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 83.9 | 141.9 | -175.7 | -51.8 | -157 | 131.8 | 0 | 0 | 115.1 | ||||
| 2259 | R | 26.5 | Very low | 26.6 | Very low | 188 Ų | 188 | 160.6 Ų | 160.6 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | cis | -161.5 | 147.9 | -11.6 | -115.1 | 177.4 | -158.8 | -151.8 | 15.1 | 111.8 | ||||
| 2260 | L | 23.3 | Very low | 26.5 | Very low | 136 Ų | 136 | 153.9 Ų | 153.9 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | trans | 42.1 | 127.5 | 139.4 | -64.7 | 169.3 | 0 | 0 | 0 | 122.5 | ||||
| 2261 | V | 22.4 | Very low | 26.2 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | 71.1 | 99.9 | 129 | 175.9 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 2262 | R | 27.6 | Very low | 26.2 | Very low | 245 Ų | 245 | 150.8 Ų | 150.8 | 93% | 0.925 | 73% | 0.729 | S | S | * | * | -171.9 | 158.7 | 112.5 | -105.5 | 170.7 | -167.3 | -160.2 | 2.8 | 115.1 | |||||
| 2263 | R | 21.8 | Very low | 25.9 | Very low | 236 Ų | 236 | 151.9 Ų | 151.9 | 89% | 0.891 | 73% | 0.727 | S | S | * | * | trans | -68.5 | 179.4 | 158.1 | -85.8 | -178.6 | 178.7 | -177 | -1.4 | 110.8 | ||||
| 2264 | P | 34.7 | Very low | 25.8 | Very low | 99 Ų | 99 | 147.5 Ų | 147.5 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | cis | -140.8 | -169.7 | -33.5 | 37.7 | -19.4 | 0 | 0 | 0 | 113.5 | ||||
| 2265 | H | 21.8 | Very low | 25.5 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | trans | 68.9 | 163.4 | 146.2 | -86.2 | -70.7 | 0 | 0 | 0 | 121 | ||||
| 2266 | A | 23.4 | Very low | 25.2 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 65% | 0.645 | 71% | 0.712 | S | S | * | * | trans | 87.4 | 123.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2267 | F | 24.1 | Very low | 24.9 | Very low | 192 Ų | 192 | 136 Ų | 136 | 84% | 0.842 | 71% | 0.706 | S | S | * | * | trans | 39.7 | 106 | 131.7 | -67.7 | -86.9 | 0 | 0 | 0 | 117.4 | ||||
| 2268 | S | 22.8 | Very low | 24.9 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 55% | 0.552 | 70% | 0.702 | S | S | * | * | 82 | 156.1 | 67.8 | 74.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 2269 | N | 23.7 | Very low | 24.8 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | trans | 70.2 | 148.7 | 158.8 | -67.7 | 29.5 | 0 | 0 | 0 | 115.1 | ||||
| 2270 | N | 25.2 | Very low | 24.7 | Very low | 97 Ų | 97 | 135 Ų | 135 | 52% | 0.519 | 70% | 0.702 | S | S | . | * | cis | -147.7 | 178 | -2.4 | -116.9 | 4.5 | 0 | 0 | 0 | 112 | ||||
| 2271 | E | 22.7 | Very low | 24.8 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 60% | 0.598 | 70% | 0.695 | S | S | * | * | 8.3 | 149.5 | 128 | -43.9 | 144.2 | -171 | 0 | 0 | 116.4 | |||||
| 2272 | Y | 29.1 | Very low | 25 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 73% | 0.725 | 69% | 0.692 | S | S | * | * | cis | -123.5 | 169.4 | 24.5 | -86.7 | -111.4 | 0 | 0 | 0 | 109.8 | ||||
| 2273 | S | 23.3 | Very low | 24.9 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 59% | 0.594 | 69% | 0.685 | S | S | * | * | 50 | 142.3 | 67.1 | -10.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 2274 | D | 27.2 | Very low | 25.3 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 77% | 0.765 | 68% | 0.678 | S | S | * | * | cis | -149.5 | -179.9 | 22.3 | -118.2 | -46.9 | 0 | 0 | 0 | 115.1 | ||||
| 2275 | S | 23.4 | Very low | 25 | Very low | 86 Ų | 86 | 126.7 Ų | 126.7 | 60% | 0.601 | 68% | 0.684 | S | S | * | * | trans | -39.3 | 148.5 | 173.2 | 57 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2276 | S | 22.4 | Very low | 25.6 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | trans | 65.5 | 165.6 | 141.3 | 73.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2277 | T | 26.6 | Very low | 25.8 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 76% | 0.755 | 68% | 0.682 | S | S | * | * | cis | -132.4 | -172.6 | 7.2 | 50 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2278 | S | 22.9 | Very low | 26.1 | Very low | 75 Ų | 75 | 122.1 Ų | 122.1 | 52% | 0.524 | 68% | 0.675 | S | S | . | * | trans | -57.2 | 179.3 | 153.4 | 62 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2279 | E | 25.4 | Very low | 26.5 | Very low | 165 Ų | 165 | 125 Ų | 125 | 77% | 0.771 | 68% | 0.679 | S | S | * | * | cis | -157.5 | -168.9 | 19.4 | -145.3 | 111.9 | -132.8 | 0 | 0 | 113.3 | ||||
| 2280 | E | 24.2 | Very low | 26.7 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | trans | -60.2 | -178.3 | 174 | -42.7 | -179.6 | 141.2 | 0 | 0 | 115.2 | ||||
| 2281 | H | 26.5 | Very low | 26.9 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 57% | 0.569 | 68% | 0.683 | S | S | * | * | cis | -164.1 | -168.9 | 5.5 | -136.9 | -11.8 | 0 | 0 | 0 | 113 | ||||
| 2282 | L | 26.3 | Very low | 27.3 | Very low | 122 Ų | 122 | 130 Ų | 130 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | trans | 65.7 | 115.6 | 158.8 | -96.1 | 71.2 | 0 | 0 | 0 | 119.6 | ||||
| 2283 | E | 25.4 | Very low | 27.3 | Very low | 167 Ų | 167 | 126 Ų | 126 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | 93.1 | 150.8 | 96.3 | -91.4 | -177.7 | -157.9 | 0 | 0 | 114.2 | |||||
| 2284 | T | 31.1 | Very low | 27.7 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | cis | -140.5 | -179.5 | 8.1 | 37.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2285 | T | 27.7 | Very low | 27.7 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 76% | 0.761 | 69% | 0.686 | S | S | * | * | trans | -129.4 | 150.8 | 179.3 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2286 | P | 35.2 | Very low | 27.9 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | trans | -114.8 | 127.9 | 145.6 | 3.5 | 18.3 | 0 | 0 | 0 | 110.7 | ||||
| 2287 | T | 26.9 | Very low | 28.3 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | 59.1 | 138.8 | 71.8 | 68.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 2288 | N | 30.3 | Very low | 28.3 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 68% | 0.684 | 69% | 0.686 | S | S | * | * | cis | -157.4 | 170.6 | -10.7 | -109.8 | 12.1 | 0 | 0 | 0 | 106.9 | ||||
| 2289 | E | 30.2 | Very low | 28.8 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 65% | 0.654 | 69% | 0.693 | S | S | * | * | cis | -147.2 | -147.9 | 4.7 | -135.2 | 160.9 | -82.1 | 0 | 0 | 107.1 | ||||
| 2290 | Q | 29.5 | Very low | 29 | Very low | 137 Ų | 137 | 139 Ų | 139 | 64% | 0.64 | 70% | 0.7 | S | S | * | * | cis | -159.6 | 172.1 | 0.6 | -131.2 | 159 | 39.8 | 0 | 0 | 106.2 | ||||
| 2291 | Y | 29.4 | Very low | 29.3 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | cis | -143.7 | 128.9 | 4.9 | -142.7 | -68.1 | 0 | 0 | 0 | 105.7 | ||||
| 2292 | H | 29.7 | Very low | 29.4 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | trans | 34.9 | 116.5 | 173.6 | -62.5 | -44.2 | 0 | 0 | 0 | 120.7 | ||||
| 2293 | S | 29.9 | Very low | 29.4 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | 74.9 | 143 | 54 | 79.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 2294 | R | 30.7 | Very low | 29.5 | Very low | 209 Ų | 209 | 147 Ų | 147 | 79% | 0.789 | 73% | 0.734 | S | S | * | * | cis | -160.5 | -178.8 | 2 | -138.4 | -174.6 | 158 | 100 | 7.3 | 106.9 | ||||
| 2295 | H | 28.6 | Very low | 29.3 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 54% | 0.537 | 74% | 0.737 | S | S | . | * | cis | -160.3 | -169.7 | 2.3 | -158.4 | -157.8 | 0 | 0 | 0 | 110.9 | ||||
| 2296 | E | 27.8 | Very low | 29.2 | Very low | 154 Ų | 154 | 144 Ų | 144 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | trans | 65.9 | 138.5 | 153.3 | -76.7 | 157.7 | -135.4 | 0 | 0 | 123.4 | ||||
| 2297 | S | 29.4 | Very low | 28.7 | Very low | 83 Ų | 83 | 148.8 Ų | 148.8 | 58% | 0.58 | 74% | 0.739 | S | S | * | * | cis | -179.4 | 136.3 | -43.1 | 43.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2298 | I | 28.2 | Very low | 28.5 | Very low | 158 Ų | 158 | 152.5 Ų | 152.5 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | 63.1 | 139.9 | 135.5 | -61.3 | 168.3 | 0 | 0 | 0 | 118.6 | ||||
| 2299 | P | 32.6 | Very low | 28.1 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | cis | -140.5 | 165.2 | -33.1 | 39.4 | -20.3 | 0 | 0 | 0 | 115.3 | ||||
| 2300 | Y | 30.2 | Very low | 27.8 | Very low | 235 Ų | 235 | 154.5 Ų | 154.5 | 92% | 0.922 | 75% | 0.753 | S | S | * | * | -167 | 159.8 | 121.6 | -121 | -92.1 | 0 | 0 | 0 | 108.8 | |||||
| 2301 | R | 29.8 | Very low | 27.4 | Very low | 217 Ų | 217 | 152.8 Ų | 152.8 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | trans | -144.4 | 165.3 | -144.7 | -163.9 | 179.1 | 179.5 | -163.7 | 0.6 | 114.6 | ||||
| 2302 | K | 28.7 | Very low | 27.1 | Very low | 188 Ų | 188 | 151.5 Ų | 151.5 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | 78.4 | 113.6 | 173.9 | -52.7 | -178.9 | -179.5 | -178.6 | 0 | 113.7 | ||||
| 2303 | M | 25.2 | Very low | 26.9 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | cis | 79.1 | 92.1 | -0.9 | -156.7 | -174.9 | -165.7 | 0 | 0 | 119 | ||||
| 2304 | T | 27.7 | Very low | 26.9 | Very low | 139 Ų | 139 | 151.3 Ų | 151.3 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -163.5 | 133.5 | 143.4 | 27.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 2305 | S | 27.2 | Very low | 26.7 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | cis | 80.8 | 110.6 | 16.9 | -164.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2306 | G | 25.8 | Very low | 26.5 | Very low | 67 Ų | 67 | 146.9 Ų | 146.9 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | trans | 141.5 | 99.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2307 | Y | 24.9 | Very low | 26.2 | Very low | 216 Ų | 216 | 143.8 Ų | 143.8 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | trans | 40.1 | 141.3 | 141.1 | -82.9 | -84.6 | 0 | 0 | 0 | 124.8 | ||||
| 2308 | F | 22.7 | Very low | 26 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | trans | 73.5 | 131.4 | 150.5 | -89.1 | -69.2 | 0 | 0 | 0 | 122.5 | ||||
| 2309 | S | 22 | Very low | 25.7 | Very low | 93 Ų | 93 | 143 Ų | 143 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | trans | 79.3 | 93.9 | 137 | -158.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 2310 | Y | 22.9 | Very low | 25.4 | Very low | 217 Ų | 217 | 142.4 Ų | 142.4 | 85% | 0.851 | 72% | 0.719 | S | S | * | * | trans | 71.7 | 135.4 | 134.1 | -85.3 | -86.2 | 0 | 0 | 0 | 123.7 | ||||
| 2311 | S | 22.3 | Very low | 25.2 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | 89.9 | 110.8 | 138.5 | 69 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2312 | V | 23 | Very low | 25.2 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 87% | 0.873 | 71% | 0.71 | S | S | * | * | trans | 56.8 | 87.2 | 132.1 | -166.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2313 | G | 25.3 | Very low | 25.1 | Very low | 67 Ų | 67 | 133.3 Ų | 133.3 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | 91.3 | 134.7 | 95.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 2314 | R | 30.5 | Very low | 25.3 | Very low | 183 Ų | 183 | 132 Ų | 132 | 69% | 0.691 | 70% | 0.701 | S | S | * | * | trans | -162.6 | 127.2 | 140 | -100.8 | 150.1 | -179.2 | 153.8 | 3.4 | 106.9 | ||||
| 2315 | K | 25.9 | Very low | 25 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 47% | 0.474 | 70% | 0.697 | S | S | . | * | 53.1 | 113.8 | 89.2 | -67.6 | -164.6 | -175.8 | -172.8 | 0 | 111.9 | P1255 G1256 | P1255-K2315 PolarHBondContact O-NZ 3.08Å; G1256-K2315 VanDerWaalsContact C-NZ 3.3Å; G1256-K2315 PolarHBondContact O-NZ 3.38Å | |||
| 2316 | R | 23.4 | Very low | 24.8 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 46% | 0.464 | 69% | 0.69 | S | S | . | * | 64.3 | 123.5 | 73.1 | -85.6 | -151.8 | -169 | -163.2 | -0.1 | 113.6 | Q1396 D1398 | Q1396-R2316 VanDerWaalsContact CD-CZ 3.49Å; Q1396-R2316 VanDerWaalsContact OE1-CZ 3.27Å; D1398-R2316 IonicContact OD1-CZ 3.08Å; D1398-R2316 IonicContact OD1-NH1 3.96Å; D1398-R2316 IonicContact OD1-NH2 2.69Å; D1398-R2316 PolarHBondContact OD1-NH2 2.9Å; D1398-R2316 IonicContact OD2-NH2 2.69Å; D1398-R2316 PolarHBondContact OD2-NH2 2.92Å | |||
| 2317 | S | 23 | Very low | 24.6 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 62% | 0.622 | 70% | 0.698 | S | S | * | * | trans | 68.8 | 150.4 | 136.8 | 63.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2318 | A | 23.8 | Very low | 24.5 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 58% | 0.579 | 70% | 0.699 | S | S | * | * | trans | 80.8 | 145.3 | 143 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2319 | F | 22.8 | Very low | 24.5 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | cis | 180 | 172.1 | -27.5 | -132.3 | -57.6 | 0 | 0 | 0 | 107.2 | ||||
| 2320 | R | 25.9 | Very low | 24.5 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 34% | 0.34 | 69% | 0.686 | S | S | . | * | trans | 70.7 | 159.6 | 147.8 | -71.6 | 174.5 | 170.3 | 158.2 | 8.1 | 116.7 | D1385 | D1385-R2320 IonicContact OD2-CZ 3.12Å; D1385-R2320 IonicContact OD2-NH1 2.64Å; D1385-R2320 IonicContact OD2-NH2 2.88Å; D1385-R2320 PolarHBondContact OD2-NH2 3.4Å | ||
| 2321 | H | 27.3 | Very low | 24.5 | Very low | 169 Ų | 169 | 123.8 Ų | 123.8 | 78% | 0.782 | 68% | 0.677 | S | S | * | * | cis | -161.5 | 153.1 | -17.2 | -114.9 | -27.8 | 0 | 0 | 0 | 110.9 | ||||
| 2322 | A | 29.3 | Very low | 25.1 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 75% | 0.752 | 67% | 0.667 | S | S | * | * | trans | -175.1 | 157.6 | 133.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2323 | R | 26.9 | Very low | 25.2 | Very low | 190 Ų | 190 | 119.6 Ų | 119.6 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | cis | -164.3 | 159.7 | -45.9 | -149.6 | -177.9 | -166.6 | 172.3 | 7.7 | 107.8 | ||||
| 2324 | L | 28.2 | Very low | 25.6 | Very low | 153 Ų | 153 | 120 Ų | 120 | 80% | 0.801 | 64% | 0.644 | S | S | * | * | trans | 69 | 156.3 | 165.8 | -52.4 | 172.2 | 0 | 0 | 0 | 117.3 | ||||
| 2325 | S | 22.7 | Very low | 25.4 | Very low | 111 Ų | 111 | 115.4 Ų | 115.4 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | cis | -172.3 | 145.8 | -32.5 | 54.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 2326 | G | 23.1 | Very low | 25.3 | Very low | 64 Ų | 64 | 114.9 Ų | 114.9 | 66% | 0.66 | 64% | 0.635 | S | S | * | * | trans | 119 | 103.2 | 148.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 2327 | T | 21.6 | Very low | 25.3 | Very low | 142 Ų | 142 | 116.1 Ų | 116.1 | 87% | 0.871 | 65% | 0.648 | S | S | * | * | trans | 66.4 | 145.6 | 144.8 | 67.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 2328 | R | 21.5 | Very low | 25.3 | Very low | 228 Ų | 228 | 117.8 Ų | 117.8 | 86% | 0.86 | 65% | 0.649 | S | S | * | * | trans | 67.5 | 103 | 156.4 | -80.5 | -174.3 | 175.9 | 166.2 | 4.4 | 121.6 | ||||
| 2329 | S | 22.3 | Very low | 25.3 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 62% | 0.622 | 65% | 0.654 | S | S | * | * | 68.5 | 101.6 | 116.9 | -61.3 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 2330 | T | 22.4 | Very low | 25.3 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 60% | 0.601 | 65% | 0.649 | S | S | * | * | trans | 94 | 116.1 | 139.3 | 72.2 | 0 | 0 | 0 | 0 | 121.7 | K594 | K594-T2330 PolarHBondContact NZ-O 3.49Å; K594-T2330 PolarHBondContact NZ-OG1 3.12Å | ||
| 2331 | M | 22.9 | Very low | 25.1 | Very low | 134 Ų | 134 | 119.6 Ų | 119.6 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | trans | 76.7 | 121 | 158.1 | -69.4 | -178.9 | 168.1 | 0 | 0 | 119.2 | K594 | K594-M2331 HydrophobicContact CD-CE 4.32Å; K594-M2331 HydrophobicContact CD-SD 3.51Å; K594-M2331 VanDerWaalsContact CD-SD 3.51Å; K594-M2331 WeakPolarHBondContact CE-SD 3.45Å; K594-M2331 HydrophobicContact CG-SD 4.01Å | ||
| 2332 | V | 35.4 | Very low | 24.9 | Very low | 83 Ų | 83 | 119 Ų | 119 | 50% | 0.503 | 66% | 0.66 | S | S | . | * | trans | 57.1 | 99.5 | 130.8 | -171 | 0 | 0 | 0 | 0 | 118 | T2334 | V2332-T2334 HydrophobicContact CG1-CG2 3.9Š| ||
| 2333 | A | 24.7 | Very low | 24.7 | Very low | 75 Ų | 75 | 118.9 Ų | 118.9 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | -132.2 | 133.5 | 126 | 0 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 2334 | T | 34.5 | Very low | 24.7 | Very low | 74 Ų | 74 | 117.1 Ų | 117.1 | 45% | 0.454 | 65% | 0.654 | S | S | . | * | cis | 64.5 | 137.7 | 47.5 | 74.2 | 0 | 0 | 0 | 0 | 113.6 | R566 V2332 | R566-T2334 PolarHBondContact O-OG1 3.34Å; V2332-T2334 HydrophobicContact CG1-CG2 3.9Å | ||
| 2335 | K | 26.1 | Very low | 24.6 | Very low | 88 Ų | 88 | 116.3 Ų | 116.3 | 38% | 0.383 | 65% | 0.651 | S | S | . | * | trans | 63.7 | 166.8 | 179.7 | -89.7 | 172.7 | 171.3 | -178.3 | 0 | 112.8 | R566 R621 | R566-K2335 VanDerWaalsContact CD-CD 3.5Å; R566-K2335 HydrophobicContact CG-CD 4.17Å; R621-K2335 PolarHBondContact O-NZ 2.95Å | ||
| 2336 | T | 24.7 | Very low | 24.9 | Very low | 97 Ų | 97 | 119.2 Ų | 119.2 | 60% | 0.595 | 65% | 0.652 | S | S | * | * | cis | -148.6 | 130.9 | 14 | -11.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2337 | M | 23.4 | Very low | 25.1 | Very low | 149 Ų | 149 | 121.3 Ų | 121.3 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | 73.6 | 174.3 | 120.8 | -138.7 | 171.5 | -179.9 | 0 | 0 | 121.9 | |||||
| 2338 | L | 22.6 | Very low | 25.5 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 65% | 0.649 | 64% | 0.638 | S | S | * | * | trans | 73.2 | 112 | 157 | -66.4 | 169.7 | 0 | 0 | 0 | 117.4 | ||||
| 2339 | N | 22.8 | Very low | 25.7 | Very low | 127 Ų | 127 | 115.1 Ų | 115.1 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | 76.9 | 151.8 | 120.7 | -72.1 | 29.4 | 0 | 0 | 0 | 119.8 | |||||
| 2340 | N | 22.5 | Very low | 25.8 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 58% | 0.578 | 64% | 0.636 | S | S | * | * | cis | -176 | 150 | -32.4 | -120.5 | 37.7 | 0 | 0 | 0 | 103.9 | ||||
| 2341 | D | 22.9 | Very low | 26 | Very low | 117 Ų | 117 | 115.2 Ų | 115.2 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | trans | 62.1 | 159 | 147.4 | -50.6 | -14.1 | 0 | 0 | 0 | 116.4 | ||||
| 2342 | E | 23.5 | Very low | 26.1 | Very low | 156 Ų | 156 | 114.8 Ų | 114.8 | 73% | 0.729 | 64% | 0.644 | S | S | * | * | cis | -143.1 | 145.4 | -18.1 | -123.9 | 157 | -178.3 | 0 | 0 | 107.9 | ||||
| 2343 | S | 24.8 | Very low | 25.8 | Very low | 90 Ų | 90 | 118.7 Ų | 118.7 | 63% | 0.629 | 66% | 0.662 | S | S | * | * | trans | 58.7 | 176.6 | 134.6 | 85.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2344 | E | 26.2 | Very low | 25.8 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 71% | 0.71 | 67% | 0.672 | S | S | * | * | cis | -140.9 | 135 | -1.2 | -137.2 | 136.8 | -93.8 | 0 | 0 | 108.3 | ||||
| 2345 | D | 25.9 | Very low | 25.5 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | 31.6 | 154.3 | 126.9 | -55.6 | -41.2 | 0 | 0 | 0 | 120.9 | |||||
| 2346 | E | 28.9 | Very low | 25.4 | Very low | 172 Ų | 172 | 128.5 Ų | 128.5 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | cis | -142.1 | 170.2 | 29.4 | -94.3 | -136.6 | -68.7 | 0 | 0 | 112.9 | ||||
| 2347 | N | 27.7 | Very low | 25.4 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 58% | 0.583 | 71% | 0.714 | S | S | * | * | cis | -177 | 176.9 | -30.8 | -155 | -1.5 | 0 | 0 | 0 | 110.7 | ||||
| 2348 | V | 29.3 | Very low | 25.7 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 66% | 0.655 | 72% | 0.72 | S | S | * | * | trans | 39.3 | 135.8 | 138.7 | 153.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2349 | D | 26.7 | Very low | 26 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | cis | -146.8 | 157.9 | 23.8 | -148.6 | -12.1 | 0 | 0 | 0 | 115.8 | ||||
| 2350 | C | 23.7 | Very low | 26.3 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | 30.8 | 154.4 | 157.5 | 80 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 2351 | A | 26.9 | Very low | 27.1 | Very low | 80 Ų | 80 | 131 Ų | 131 | 66% | 0.661 | 72% | 0.719 | S | S | * | * | cis | -154.4 | 153.7 | 13.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 2352 | T | 24.9 | Very low | 28.2 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 77% | 0.767 | 72% | 0.717 | S | S | * | * | trans | 45.1 | 118 | 148 | 56.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 2353 | D | 28.9 | Very low | 30 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 88% | 0.882 | 70% | 0.702 | S | S | * | * | -177 | 155.2 | 102.8 | -107.6 | 1.5 | 0 | 0 | 0 | 113.8 | |||||
| 2354 | D | 24.1 | Very low | 32.5 | Very low | 156 Ų | 156 | 123.4 Ų | 123.4 | 83% | 0.834 | 68% | 0.675 | S | S | * | * | trans | -82.5 | 140.6 | -174.5 | -71.3 | -62.8 | 0 | 0 | 0 | 115.9 | ||||
| 2355 | Q | 29 | Very low | 34.4 | Very low | 196 Ų | 196 | 117.9 Ų | 117.9 | 92% | 0.916 | 65% | 0.652 | S | S | * | * | trans | -145.6 | 94.2 | 152 | -74 | -154.9 | 6.6 | 0 | 0 | 116.2 | ||||
| 2356 | A | 24.3 | Very low | 36.4 | Very low | 90 Ų | 90 | 111.9 Ų | 111.9 | 74% | 0.744 | 62% | 0.621 | S | S | * | * | trans | 36 | 114.5 | 135.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 2357 | S | 24.9 | Very low | 38.1 | Very low | 93 Ų | 93 | 107.3 Ų | 107.3 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | 82.8 | 129.6 | 127 | 72.1 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 2358 | N | 30.4 | Very low | 39.3 | Very low | 161 Ų | 161 | 105.2 Ų | 105.2 | 86% | 0.861 | 61% | 0.613 | S | S | * | * | trans | -136.2 | 138.5 | 157.9 | -117.5 | -12.9 | 0 | 0 | 0 | 108.4 | ||||
| 2359 | Y | 27.5 | Very low | 41.3 | Very low | 118 Ų | 118 | 100.8 Ų | 100.8 | 46% | 0.463 | 59% | 0.587 | S | S | . | * | trans | -171.4 | 112.2 | 176.4 | -86.2 | -61.7 | 0 | 0 | 0 | 110.7 | R320 | R320-Y2359 VanDerWaalsContact NH1-CZ 3.25Š| ||
| 2360 | E | 30.2 | Very low | 43.1 | Very low | 151 Ų | 151 | 98.3 Ų | 98.3 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | trans | -175.8 | 127.2 | 155.9 | -109.3 | 164.2 | -148.9 | 0 | 0 | 107.1 | ||||
| 2361 | D | 39.1 | Very low | 44.8 | Very low | 134 Ų | 134 | 98.9 Ų | 98.9 | 72% | 0.717 | 56% | 0.564 | S | S | * | * | trans | 179.3 | 57.4 | 164.3 | -99.2 | -15.2 | 0 | 0 | 0 | 111.6 | R364 | R364-D2361 PolarHBondContact NH1-O 3.13Š| ||
| 2362 | D | 45.1 | Very low | 46.5 | Very low | 107 Ų | 107 | 96 Ų | 96 | 57% | 0.572 | 54% | 0.539 | S | S | * | . | trans | -113.4 | 129.2 | 163.6 | -78.8 | -51.9 | 0 | 0 | 0 | 108.5 | W2379 | D2362-W2379 HydrophobicContact CB-CH2 4.1Å; D2362-W2379 HydrophobicContact CB-CZ2 3.92Å; D2362-W2379 WeakPolarHBondContact O-CH2 3.24Å | ||
| 2363 | E | 62.3 | Low | 47.3 | Very low | 88 Ų | 88 | 99.3 Ų | 99.3 | 41% | 0.411 | 55% | 0.546 | S | S | . | . | trans | -101 | 139 | -170.3 | -69.6 | 164.2 | 113.7 | 0 | 0 | 112 | R364 E573 P2365 | R364-E2363 IonicContact NH1-OE2 2.76Å; E573-E2363 WeakPolarHBondContact CG-OE1 3.4Å; E573-E2363 WeakPolarHBondContact CG-OE2 3.47Å; E2363-P2365 WeakPolarHBondContact O-CD 3.41Å | ||
| 2364 | C | 76.9 | Confident | 47.9 | Very low | 9 Ų | 9 | 96.3 Ų | 96.3 | 6% | 0.061 | 53% | 0.533 | C | S | . | . | trans | -96.2 | 116.4 | -175.4 | 165 | 0 | 0 | 0 | 0 | 111.4 | A2366 W2379 Y2389 H2390 | C2364-A2366 PolarHBondContact O-N 3.17Å; C2364-A2366 WeakPolarHBondContact SG-CB 3.28Å; C2364-W2379 HydrophobicContact CB-CH2 4.12Å; C2364-W2379 HydrophobicContact CB-CZ3 3.76Å; C2364-Y2389 VanDerWaalsContact SG-CA 3.52Å; C2364-H2390 VanDerWaalsContact CB-CE1 3.48Å; C2364-H2390 WeakPolarHBondContact CB-CE1 3.37Å; C2364-H2390 VanDerWaalsContact CB-ND1 3.32Å; C2364-H2390 WeakPolarHBondContact CB-ND1 3.47Å; C2364-H2390 PolarHBondContact SG-N 3.04Å | ||
| 2365 | P | 66.8 | Low | 48.6 | Very low | 36 Ų | 36 | 92.5 Ų | 92.5 | 23% | 0.234 | 53% | 0.532 | C | S | . | . | trans | -74 | 27.1 | 179.2 | -21.3 | 38 | 0 | 0 | 0 | 115 | E575 E2363 G2367 R2387 W2388 Y2389 | E575-P2365 WeakPolarHBondContact OE1-CG 3.44Å; E2363-P2365 WeakPolarHBondContact O-CD 3.41Å; P2365-G2367 PolarHBondContact O-N 2.8Å; P2365-R2387 HydrophobicContact CB-CB 4.3Å; P2365-R2387 HydrophobicContact CB-CG 4.42Å; P2365-R2387 HydrophobicContact CG-CB 4.04Å; P2365-R2387 HydrophobicContact CG-CG 4.13Å; P2365-W2388 WeakPolarHBondContact CD-O 3.4Å; P2365-Y2389 VanDerWaalsContact C-CE1 3.44Å; P2365-Y2389 WeakPolarHBondContact O-CE1 3.48Å | ||
| 2366 | A | 66.6 | Low | 49.4 | Very low | 10 Ų | 10 | 88.6 Ų | 88.6 | 8% | 0.083 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -68.4 | 123.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | C2364 P2368 C2369 Y2389 C2393 V2394 | C2364-A2366 PolarHBondContact O-N 3.17Å; C2364-A2366 WeakPolarHBondContact SG-CB 3.28Å; A2366-P2368 CarbonylContact O-C 3.09Å; A2366-P2368 VanDerWaalsContact O-C 3.24Å; A2366-P2368 WeakPolarHBondContact O-CA 3.2Å; A2366-C2369 PolarHBondContact O-N 3.42Å; A2366-Y2389 HydrophobicContact CB-CD1 3.94Å; A2366-Y2389 HydrophobicContact CB-CE1 4.48Å; A2366-C2393 HydrophobicContact CB-CB 3.58Å; A2366-V2394 HydrophobicContact CB-CG1 4.37Å |
| 2367 | G | 65.4 | Low | 51.2 | Low | 76 Ų | 76 | 85.8 Ų | 85.8 | 78% | 0.784 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -64.8 | 2.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P2365 | P2365-G2367 PolarHBondContact O-N 2.8Š|
| 2368 | P | 52.4 | Low | 53.2 | Low | 66 Ų | 66 | 85.9 Ų | 85.9 | 43% | 0.429 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -132.6 | 114.8 | 138.3 | 33.7 | -19.9 | 0 | 0 | 0 | 111.2 | A2366 L2370 | A2366-P2368 CarbonylContact O-C 3.09Å; A2366-P2368 VanDerWaalsContact O-C 3.24Å; A2366-P2368 WeakPolarHBondContact O-CA 3.2Å; P2368-L2370 PolarHBondContact O-N 3.18Å |
| 2369 | C | 71.5 | Confident | 55.8 | Low | 15 Ų | 15 | 80.3 Ų | 80.3 | 10% | 0.101 | 45% | 0.45 | C | S | . | . | trans | -83.6 | 105.8 | 175.7 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | D1580 A2366 H2371 H2390 | D1580-C2369 PolarHBondContact OD2-N 3.42Å; A2366-C2369 PolarHBondContact O-N 3.42Å; C2369-H2371 PolarHBondContact O-N 2.96Å; C2369-H2371 VanDerWaalsContact O-N 3.11Å; C2369-H2371 PolarHBondContact O-ND1 2.98Å; C2369-H2371 PolarHBondContact SG-CE1 3.42Å; C2369-H2371 PolarHBondContact SG-ND1 3.34Å; C2369-H2371 VanDerWaalsContact SG-ND1 3.38Å; C2369-H2390 VanDerWaalsContact SG-CE1 3.52Å | ||
| 2370 | L | 63.7 | Low | 58.3 | Low | 80 Ų | 80 | 75.3 Ų | 75.3 | 42% | 0.419 | 43% | 0.432 | S | S | . | . | trans | -73.5 | 10.7 | 179.2 | -53.3 | 179.5 | 0 | 0 | 0 | 114.9 | P2368 P2372 I2392 C2393 | P2368-L2370 PolarHBondContact O-N 3.18Å; L2370-P2372 VanDerWaalsContact O-N 3.12Å; L2370-I2392 HydrophobicContact CD1-CG2 4.1Å; L2370-I2392 WeakPolarHBondContact CD1-O 3.28Å; L2370-C2393 VanDerWaalsContact CB-SG 3.59Å; L2370-C2393 HydrophobicContact CG-CB 4.45Å; L2370-C2393 PolarHBondContact N-SG 2.82Å | ||
| 2371 | H | 60.1 | Low | 60.9 | Low | 120 Ų | 120 | 70.1 Ų | 70.1 | 56% | 0.556 | 41% | 0.408 | S | S | * | . | trans | 24.2 | 72.7 | 173.3 | -70.3 | 90.7 | 0 | 0 | 0 | 114.2 | C2369 Q2373 | C2369-H2371 PolarHBondContact O-N 2.96Å; C2369-H2371 VanDerWaalsContact O-N 3.11Å; C2369-H2371 PolarHBondContact O-ND1 2.98Å; C2369-H2371 PolarHBondContact SG-CE1 3.42Å; C2369-H2371 PolarHBondContact SG-ND1 3.34Å; C2369-H2371 VanDerWaalsContact SG-ND1 3.38Å; H2371-Q2373 WeakPolarHBondContact O-CG 3.27Å; H2371-Q2373 PolarHBondContact O-N 3.24Å | ||
| 2372 | P | 62.3 | Low | 63 | Low | 21 Ų | 21 | 63.7 Ų | 63.7 | 14% | 0.136 | 37% | 0.374 | C | S | . | . | trans | -74.9 | 91.6 | -164.4 | 28.5 | -34.1 | 0 | 0 | 0 | 112.4 | L2370 T2374 V2377 I2392 | L2370-P2372 VanDerWaalsContact O-N 3.12Å; P2372-T2374 PolarHBondContact O-N 3.24Å; P2372-V2377 HydrophobicContact CG-CG1 3.97Å; P2372-V2377 HydrophobicContact CG-CG2 4.21Å; P2372-I2392 HydrophobicContact CB-CD1 3.98Å | ||
| 2373 | Q | 43.1 | Very low | 64 | Low | 193 Ų | 193 | 59.6 Ų | 59.6 | 90% | 0.902 | 35% | 0.351 | S | S | * | . | trans | -65.5 | 46.3 | -176.6 | -62.2 | -178.8 | -24.4 | 0 | 0 | 115.5 | H2371 | H2371-Q2373 WeakPolarHBondContact O-CG 3.27Å; H2371-Q2373 PolarHBondContact O-N 3.24Å | ||
| 2374 | T | 39.6 | Very low | 63.8 | Low | 102 Ų | 102 | 56 Ų | 56 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -133.9 | 116 | 172.3 | 56.1 | 0 | 0 | 0 | 0 | 107.7 | P2372 T2376 | P2372-T2374 PolarHBondContact O-N 3.24Å; T2374-T2376 PolarHBondContact O-N 3.21Å |
| 2375 | G | 39.6 | Very low | 63.7 | Low | 77 Ų | 77 | 57.8 Ų | 57.8 | 79% | 0.794 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -65.5 | 42.8 | -158.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 2376 | T | 45.9 | Very low | 63.5 | Low | 113 Ų | 113 | 60.2 Ų | 60.2 | 69% | 0.693 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -144.7 | 83.1 | 150.8 | 36.4 | 0 | 0 | 0 | 0 | 107.8 | T2374 | T2374-T2376 PolarHBondContact O-N 3.21Š|
| 2377 | V | 63.1 | Low | 63.8 | Low | 32 Ų | 32 | 64.1 Ų | 64.1 | 19% | 0.194 | 38% | 0.378 | C | S | . | . | trans | -60.3 | 143.7 | 171.8 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | P2372 H2390 | P2372-V2377 HydrophobicContact CG-CG1 3.97Å; P2372-V2377 HydrophobicContact CG-CG2 4.21Å; V2377-H2390 WeakPolarHBondContact CG1-CD2 3.32Å | ||
| 2378 | K | 66.6 | Low | 64.7 | Low | 95 Ų | 95 | 65.3 Ų | 65.3 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | trans | -128 | 131.1 | -179.6 | -67.5 | -168.1 | 172.6 | -175.4 | 0 | 111.6 | H2390 Q2391 H2399 | K2378-H2390 CarbonylContact O-C 3.58Å; K2378-H2390 WeakPolarHBondContact O-CA 3.36Å; K2378-Q2391 HydrophobicContact CB-CG 4.41Å; K2378-Q2391 PolarHBondContact O-N 3.47Å; K2378-H2399 PolarHBondContact NZ-NE2 2.92Å | ||
| 2379 | W | 83.6 | Confident | 66.3 | Low | 44 Ų | 44 | 62.8 Ų | 62.8 | 17% | 0.167 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 163.2 | -170 | -64.9 | 96.6 | 0 | 0 | 0 | 114.1 | D2362 C2364 W2388 Y2389 H2390 Q2391 | D2362-W2379 HydrophobicContact CB-CH2 4.1Å; D2362-W2379 HydrophobicContact CB-CZ2 3.92Å; D2362-W2379 WeakPolarHBondContact O-CH2 3.24Å; C2364-W2379 HydrophobicContact CB-CH2 4.12Å; C2364-W2379 HydrophobicContact CB-CZ3 3.76Å; W2379-W2388 HydrophobicContact CB-CE3 3.84Å; W2379-W2388 HydrophobicContact CB-CZ3 4.15Å; W2379-W2388 HydrophobicContact CE3-CB 3.93Å; W2379-W2388 HydrophobicContact CZ3-CB 4.17Å; W2379-W2388 WeakPolarHBondContact CZ3-O 3.35Å; W2379-Y2389 CarbonylContact C-O 3.58Å; W2379-Y2389 WeakPolarHBondContact CA-O 3.3Å; W2379-H2390 AromaticContact CD2-CD2 3.67Å; W2379-H2390 AromaticContact CE2-CD2 3.54Å; W2379-H2390 AromaticContact CE2-NE2 3.86Å; W2379-H2390 AromaticContact CE3-CD2 3.67Å; W2379-H2390 AromaticContact CH2-CD2 3.46Å; W2379-H2390 VanDerWaalsContact CH2-CD2 3.46Å; W2379-H2390 WeakPolarHBondContact CH2-CD2 3.43Å; W2379-H2390 AromaticContact CH2-NE2 3.26Å; W2379-H2390 VanDerWaalsContact CH2-NE2 3.26Å; W2379-H2390 WeakPolarHBondContact CH2-NE2 3.31Å; W2379-H2390 AromaticContact CZ2-CD2 3.44Å; W2379-H2390 VanDerWaalsContact CZ2-CD2 3.44Å; W2379-H2390 WeakPolarHBondContact CZ2-CD2 3.4Å; W2379-H2390 AromaticContact CZ2-NE2 3.28Å; W2379-H2390 VanDerWaalsContact CZ2-NE2 3.28Å; W2379-H2390 WeakPolarHBondContact CZ2-NE2 3.46Å; W2379-H2390 AromaticContact CZ3-CD2 3.57Å; W2379-H2390 AromaticContact CZ3-NE2 3.83Å; W2379-Q2391 WeakPolarHBondContact O-CG 3.3Å; W2379-Q2391 PolarHBondContact O-NE2 3.42Å |
| 2380 | V | 81.3 | Confident | 67 | Low | 13 Ų | 13 | 62.6 Ų | 62.6 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 127.2 | 173.2 | 66.6 | 0 | 0 | 0 | 0 | 110 | Y2389 Q2391 V2394 I2396 L2402 Y2406 | V2380-Y2389 WeakPolarHBondContact CG1-O 3.44Å; V2380-Y2389 PolarHBondContact N-O 2.79Å; V2380-Y2389 PolarHBondContact O-N 3.26Å; V2380-Q2391 HydrophobicContact CB-CG 3.96Å; V2380-Q2391 HydrophobicContact CG1-CG 4.1Å; V2380-V2394 HydrophobicContact CG1-CG2 3.68Å; V2380-I2396 HydrophobicContact CB-CD1 4.47Å; V2380-I2396 HydrophobicContact CG1-CD1 4.07Å; V2380-I2396 HydrophobicContact CG2-CD1 4.25Å; V2380-L2402 HydrophobicContact CG2-CD2 4.48Å; V2380-Y2406 HydrophobicContact CB-CD1 4.41Å; V2380-Y2406 HydrophobicContact CB-CG 4.49Å; V2380-Y2406 HydrophobicContact CG1-CD1 3.95Å; V2380-Y2406 HydrophobicContact CG1-CE1 4.04Å; V2380-Y2406 HydrophobicContact CG1-CG 4.22Å; V2380-Y2406 VanDerWaalsContact CG2-CB 3.49Å; V2380-Y2406 HydrophobicContact CG2-CD1 3.72Å; V2380-Y2406 HydrophobicContact CG2-CD2 4.15Å; V2380-Y2406 HydrophobicContact CG2-CG 3.46Å; V2380-Y2406 VanDerWaalsContact CG2-CG 3.46Å |
| 2381 | Q | 84.4 | Confident | 67.9 | Low | 41 Ų | 41 | 59.7 Ų | 59.7 | 19% | 0.192 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 140.9 | -177.9 | -160.9 | -173.8 | 23 | 0 | 0 | 111.6 | C2386 W2388 Y2406 | Q2381-C2386 VanDerWaalsContact CG-O 3.23Å; Q2381-C2386 WeakPolarHBondContact CG-O 3.44Å; Q2381-C2386 PolarHBondContact NE2-O 3.19Å; Q2381-W2388 HydrophobicContact CB-CD2 3.75Å; Q2381-W2388 HydrophobicContact CB-CE3 3.76Å; Q2381-W2388 HydrophobicContact CB-CG 4.42Å; Q2381-W2388 HydrophobicContact CB-CH2 4.08Å; Q2381-W2388 HydrophobicContact CB-CZ2 4.03Å; Q2381-W2388 HydrophobicContact CB-CZ3 3.95Å; Q2381-W2388 HydrophobicContact CG-CD2 3.89Å; Q2381-W2388 HydrophobicContact CG-CE3 4.42Å; Q2381-W2388 HydrophobicContact CG-CG 4.17Å; Q2381-W2388 HydrophobicContact CG-CZ2 4.22Å; Q2381-Y2406 WeakPolarHBondContact O-CD1 3.46Å |
| 2382 | C | 81.8 | Confident | 68.4 | Low | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -84.2 | 115.7 | 172.9 | 177.7 | 0 | 0 | 0 | 0 | 112.2 | A2384 C2385 C2386 R2387 Y2389 Y2406 C2408 | C2382-A2384 PolarHBondContact O-N 2.68Å; C2382-C2385 PolarHBondContact O-N 2.93Å; C2382-C2386 WeakPolarHBondContact O-CA 3.46Å; C2382-C2386 PolarHBondContact O-N 3.11Å; C2382-R2387 PolarHBondContact N-O 3.08Å; C2382-Y2389 HydrophobicContact CB-CD2 4.16Å; C2382-Y2389 HydrophobicContact CB-CE2 3.61Å; C2382-Y2406 WeakPolarHBondContact CA-O 3.22Å; C2382-Y2406 HydrophobicContact CB-CD1 4.41Å; C2382-Y2406 HydrophobicContact CB-CE1 4.38Å; C2382-C2408 HydrophobicContact CB-CB 3.87Å; C2382-C2408 PolarHBondContact SG-N 3Å; C2382-C2408 VanDerWaalsContact SG-SG 3.62Å | ||
| 2383 | E | 66.9 | Low | 69.2 | Low | 21 Ų | 21 | 56.8 Ų | 56.8 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 27.7 | 177.3 | -66 | -166 | -143.7 | 0 | 0 | 114.9 | K259 S260 V2405 Y2406 F2407 | K259-E2383 PolarHBondContact N-OE2 3.04Å; S260-E2383 WeakPolarHBondContact CB-OE1 3.11Å; S260-E2383 PolarHBondContact N-OE1 3.23Å; S260-E2383 PolarHBondContact OG-OE1 2.7Å; E2383-V2405 HydrophobicContact CB-CG1 3.96Å; E2383-V2405 VanDerWaalsContact CD-CG1 3.45Å; E2383-V2405 HydrophobicContact CG-CG1 4.05Å; E2383-V2405 WeakPolarHBondContact OE2-CG1 3.19Å; E2383-Y2406 PolarHBondContact N-O 3.05Å; E2383-F2407 HydrophobicContact CB-CE1 4.33Å |
| 2384 | A | 57.3 | Low | 70.9 | Confident | 13 Ų | 13 | 49 Ų | 49 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -154.1 | 3.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | V255 C2382 F2407 C2411 | V255-A2384 HydrophobicContact CB-CB 3.78Å; V255-A2384 HydrophobicContact CG1-CB 4.39Å; V255-A2384 HydrophobicContact CG2-CB 3.76Å; C2382-A2384 PolarHBondContact O-N 2.68Å; A2384-F2407 HydrophobicContact CB-CD1 3.62Å; A2384-F2407 HydrophobicContact CB-CE1 3.85Å; A2384-C2411 HydrophobicContact CB-CB 3.46Å; A2384-C2411 VanDerWaalsContact CB-CB 3.46Å; A2384-C2411 PolarHBondContact O-SG 3.4Å; A2384-C2411 VanDerWaalsContact O-SG 3.37Å |
| 2385 | C | 74.8 | Confident | 72.2 | Confident | 45 Ų | 45 | 46 Ų | 46 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.7 | 11.3 | 163.4 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | C2382 R2387 | C2382-C2385 PolarHBondContact O-N 2.93Å; C2385-R2387 WeakPolarHBondContact O-CG 3.12Å; C2385-R2387 PolarHBondContact O-N 3.16Å |
| 2386 | C | 63.9 | Low | 73.7 | Confident | 88 Ų | 88 | 42.8 Ų | 42.8 | 60% | 0.595 | 23% | 0.23 | S | C | * | . | trans | 54 | -4.2 | 178.6 | -55.4 | 0 | 0 | 0 | 0 | 117.7 | Q2381 C2382 | Q2381-C2386 VanDerWaalsContact CG-O 3.23Å; Q2381-C2386 WeakPolarHBondContact CG-O 3.44Å; Q2381-C2386 PolarHBondContact NE2-O 3.19Å; C2382-C2386 WeakPolarHBondContact O-CA 3.46Å; C2382-C2386 PolarHBondContact O-N 3.11Å | ||
| 2387 | R | 72.2 | Confident | 74.1 | Confident | 91 Ų | 91 | 42.8 Ų | 42.8 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | trans | -68.8 | 144.6 | 179.1 | -72.1 | 167.9 | -177.1 | -140.4 | -11.3 | 112.3 | E575 P2365 C2382 C2385 Y2389 | E575-R2387 WeakPolarHBondContact OE1-CD 3.36Å; E575-R2387 IonicContact OE1-CZ 3.31Å; E575-R2387 IonicContact OE1-NE 3.14Å; E575-R2387 PolarHBondContact OE1-NE 3.35Å; E575-R2387 VanDerWaalsContact OE1-NE 3.14Å; E575-R2387 IonicContact OE1-NH1 3.99Å; E575-R2387 PolarHBondContact OE1-NH1 3.16Å; E575-R2387 IonicContact OE1-NH2 3.65Å; E575-R2387 PolarHBondContact OE1-NH2 2.83Å; E575-R2387 IonicContact OE2-CZ 2.72Å; E575-R2387 IonicContact OE2-NH1 2.75Å; E575-R2387 PolarHBondContact OE2-NH1 3.29Å; E575-R2387 IonicContact OE2-NH2 3.15Å; E575-R2387 PolarHBondContact OE2-NH2 3.33Å; P2365-R2387 HydrophobicContact CB-CB 4.3Å; P2365-R2387 HydrophobicContact CB-CG 4.42Å; P2365-R2387 HydrophobicContact CG-CB 4.04Å; P2365-R2387 HydrophobicContact CG-CG 4.13Å; C2382-R2387 PolarHBondContact N-O 3.08Å; C2385-R2387 WeakPolarHBondContact O-CG 3.12Å; C2385-R2387 PolarHBondContact O-N 3.16Å; R2387-Y2389 HydrophobicContact CB-CE2 3.86Å; R2387-Y2389 VanDerWaalsContact O-CD2 3.24Å; R2387-Y2389 WeakPolarHBondContact O-CD2 3.41Å; R2387-Y2389 VanDerWaalsContact O-CE2 3.25Å; R2387-Y2389 WeakPolarHBondContact O-CE2 3.31Å | ||
| 2388 | W | 84.1 | Confident | 73.3 | Confident | 102 Ų | 102 | 47.7 Ų | 47.7 | 39% | 0.386 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.9 | -178.9 | -76.4 | 95 | 0 | 0 | 0 | 111.7 | P2365 W2379 Q2381 | P2365-W2388 WeakPolarHBondContact CD-O 3.4Å; W2379-W2388 HydrophobicContact CB-CE3 3.84Å; W2379-W2388 HydrophobicContact CB-CZ3 4.15Å; W2379-W2388 HydrophobicContact CE3-CB 3.93Å; W2379-W2388 HydrophobicContact CZ3-CB 4.17Å; W2379-W2388 WeakPolarHBondContact CZ3-O 3.35Å; Q2381-W2388 HydrophobicContact CB-CD2 3.75Å; Q2381-W2388 HydrophobicContact CB-CE3 3.76Å; Q2381-W2388 HydrophobicContact CB-CG 4.42Å; Q2381-W2388 HydrophobicContact CB-CH2 4.08Å; Q2381-W2388 HydrophobicContact CB-CZ2 4.03Å; Q2381-W2388 HydrophobicContact CB-CZ3 3.95Å; Q2381-W2388 HydrophobicContact CG-CD2 3.89Å; Q2381-W2388 HydrophobicContact CG-CE3 4.42Å; Q2381-W2388 HydrophobicContact CG-CG 4.17Å; Q2381-W2388 HydrophobicContact CG-CZ2 4.22Å |
| 2389 | Y | 86 | Confident | 72.1 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136 | -178.2 | -61.5 | -99.7 | 0 | 0 | 0 | 109.8 | C2364 P2365 A2366 W2379 V2380 C2382 R2387 Q2391 V2394 Y2406 C2408 | C2364-Y2389 VanDerWaalsContact SG-CA 3.52Å; P2365-Y2389 VanDerWaalsContact C-CE1 3.44Å; P2365-Y2389 WeakPolarHBondContact O-CE1 3.48Å; A2366-Y2389 HydrophobicContact CB-CD1 3.94Å; A2366-Y2389 HydrophobicContact CB-CE1 4.48Å; W2379-Y2389 CarbonylContact C-O 3.58Å; W2379-Y2389 WeakPolarHBondContact CA-O 3.3Å; V2380-Y2389 WeakPolarHBondContact CG1-O 3.44Å; V2380-Y2389 PolarHBondContact N-O 2.79Å; V2380-Y2389 PolarHBondContact O-N 3.26Å; C2382-Y2389 HydrophobicContact CB-CD2 4.16Å; C2382-Y2389 HydrophobicContact CB-CE2 3.61Å; R2387-Y2389 HydrophobicContact CB-CE2 3.86Å; R2387-Y2389 VanDerWaalsContact O-CD2 3.24Å; R2387-Y2389 WeakPolarHBondContact O-CD2 3.41Å; R2387-Y2389 VanDerWaalsContact O-CE2 3.25Å; R2387-Y2389 WeakPolarHBondContact O-CE2 3.31Å; Y2389-Q2391 PolarHBondContact O-N 3.39Å; Y2389-V2394 HydrophobicContact CD1-CG1 3.41Å; Y2389-V2394 VanDerWaalsContact CD1-CG1 3.41Å; Y2389-V2394 HydrophobicContact CE1-CG1 4.28Å; Y2389-V2394 HydrophobicContact CG-CG1 3.71Å; Y2389-Y2406 HydrophobicContact CD2-CE1 4.17Å; Y2389-C2408 HydrophobicContact CD2-CB 4.4Å; Y2389-C2408 HydrophobicContact CE1-CB 4.07Å; Y2389-C2408 HydrophobicContact CE2-CB 3.67Å; Y2389-C2408 VanDerWaalsContact CZ-CB 3.49Å |
| 2390 | H | 87.5 | Confident | 70.2 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 131.6 | 164.3 | -50.9 | 132.6 | 0 | 0 | 0 | 108.4 | C2364 C2369 V2377 K2378 W2379 I2392 C2393 V2394 | C2364-H2390 VanDerWaalsContact CB-CE1 3.48Å; C2364-H2390 WeakPolarHBondContact CB-CE1 3.37Å; C2364-H2390 VanDerWaalsContact CB-ND1 3.32Å; C2364-H2390 WeakPolarHBondContact CB-ND1 3.47Å; C2364-H2390 PolarHBondContact SG-N 3.04Å; C2369-H2390 VanDerWaalsContact SG-CE1 3.52Å; V2377-H2390 WeakPolarHBondContact CG1-CD2 3.32Å; K2378-H2390 CarbonylContact O-C 3.58Å; K2378-H2390 WeakPolarHBondContact O-CA 3.36Å; W2379-H2390 AromaticContact CD2-CD2 3.67Å; W2379-H2390 AromaticContact CE2-CD2 3.54Å; W2379-H2390 AromaticContact CE2-NE2 3.86Å; W2379-H2390 AromaticContact CE3-CD2 3.67Å; W2379-H2390 AromaticContact CH2-CD2 3.46Å; W2379-H2390 VanDerWaalsContact CH2-CD2 3.46Å; W2379-H2390 WeakPolarHBondContact CH2-CD2 3.43Å; W2379-H2390 AromaticContact CH2-NE2 3.26Å; W2379-H2390 VanDerWaalsContact CH2-NE2 3.26Å; W2379-H2390 WeakPolarHBondContact CH2-NE2 3.31Å; W2379-H2390 AromaticContact CZ2-CD2 3.44Å; W2379-H2390 VanDerWaalsContact CZ2-CD2 3.44Å; W2379-H2390 WeakPolarHBondContact CZ2-CD2 3.4Å; W2379-H2390 AromaticContact CZ2-NE2 3.28Å; W2379-H2390 VanDerWaalsContact CZ2-NE2 3.28Å; W2379-H2390 WeakPolarHBondContact CZ2-NE2 3.46Å; W2379-H2390 AromaticContact CZ3-CD2 3.57Å; W2379-H2390 AromaticContact CZ3-NE2 3.83Å; H2390-I2392 PolarHBondContact O-N 3.34Å; H2390-I2392 VanDerWaalsContact O-N 3.09Å; H2390-C2393 HydrophobicContact CB-CB 4.03Å; H2390-C2393 VanDerWaalsContact CB-SG 3.56Å; H2390-C2393 PolarHBondContact ND1-SG 2.87Å; H2390-C2393 WeakPolarHBondContact O-CA 3.17Å; H2390-C2393 WeakPolarHBondContact O-CB 3.38Å; H2390-C2393 PolarHBondContact O-N 2.79Å; H2390-V2394 PolarHBondContact O-N 2.87Å |
| 2391 | Q | 81.6 | Confident | 68.5 | Low | 19 Ų | 19 | 59.2 Ų | 59.2 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -47.4 | -45.5 | -179.3 | -75 | 176.6 | 20 | 0 | 0 | 111.6 | K2378 W2379 V2380 Y2389 C2393 V2394 G2395 I2396 | K2378-Q2391 HydrophobicContact CB-CG 4.41Å; K2378-Q2391 PolarHBondContact O-N 3.47Å; W2379-Q2391 WeakPolarHBondContact O-CG 3.3Å; W2379-Q2391 PolarHBondContact O-NE2 3.42Å; V2380-Q2391 HydrophobicContact CB-CG 3.96Å; V2380-Q2391 HydrophobicContact CG1-CG 4.1Å; Y2389-Q2391 PolarHBondContact O-N 3.39Å; Q2391-C2393 PolarHBondContact O-N 2.96Å; Q2391-V2394 CarbonylContact O-C 3.51Å; Q2391-V2394 WeakPolarHBondContact O-CG2 3.26Å; Q2391-V2394 PolarHBondContact O-N 2.79Å; Q2391-G2395 PolarHBondContact O-N 3.35Å; Q2391-I2396 CarbonylContact C-O 3.55Å; Q2391-I2396 HydrophobicContact CB-CB 3.94Å; Q2391-I2396 HydrophobicContact CB-CG2 4.17Å; Q2391-I2396 HydrophobicContact CG-CB 4.44Å; Q2391-I2396 HydrophobicContact CG-CG2 4.37Å; Q2391-I2396 WeakPolarHBondContact O-CA 3.41Å; Q2391-I2396 WeakPolarHBondContact O-CB 3.36Å; Q2391-I2396 PolarHBondContact O-N 3.25Å |
| 2392 | I | 71.6 | Confident | 66.6 | Low | 67 Ų | 67 | 59.4 Ų | 59.4 | 34% | 0.344 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -65.4 | -39.6 | -179.8 | -54.4 | 179.5 | 0 | 0 | 0 | 111.7 | L2370 P2372 H2390 V2394 G2395 I2396 | L2370-I2392 HydrophobicContact CD1-CG2 4.1Å; L2370-I2392 WeakPolarHBondContact CD1-O 3.28Å; P2372-I2392 HydrophobicContact CB-CD1 3.98Å; H2390-I2392 PolarHBondContact O-N 3.34Å; H2390-I2392 VanDerWaalsContact O-N 3.09Å; I2392-V2394 PolarHBondContact O-N 2.87Å; I2392-G2395 PolarHBondContact O-N 2.88Å; I2392-G2395 VanDerWaalsContact O-N 3.12Å; I2392-I2396 PolarHBondContact N-O 2.73Å |
| 2393 | C | 79.1 | Confident | 65.1 | Low | 13 Ų | 13 | 62.1 Ų | 62.1 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -65.3 | -22.9 | -179.9 | -62.9 | 0 | 0 | 0 | 0 | 113 | A2366 L2370 H2390 Q2391 | A2366-C2393 HydrophobicContact CB-CB 3.58Å; L2370-C2393 VanDerWaalsContact CB-SG 3.59Å; L2370-C2393 HydrophobicContact CG-CB 4.45Å; L2370-C2393 PolarHBondContact N-SG 2.82Å; H2390-C2393 HydrophobicContact CB-CB 4.03Å; H2390-C2393 VanDerWaalsContact CB-SG 3.56Å; H2390-C2393 PolarHBondContact ND1-SG 2.87Å; H2390-C2393 WeakPolarHBondContact O-CA 3.17Å; H2390-C2393 WeakPolarHBondContact O-CB 3.38Å; H2390-C2393 PolarHBondContact O-N 2.79Å; Q2391-C2393 PolarHBondContact O-N 2.96Å |
| 2394 | V | 77.2 | Confident | 64.5 | Low | 29 Ų | 29 | 64.4 Ų | 64.4 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -109.1 | 13.7 | 175.2 | -67.9 | 0 | 0 | 0 | 0 | 114.4 | A2366 V2380 Y2389 H2390 Q2391 I2392 Y2406 | A2366-V2394 HydrophobicContact CB-CG1 4.37Å; V2380-V2394 HydrophobicContact CG1-CG2 3.68Å; Y2389-V2394 HydrophobicContact CD1-CG1 3.41Å; Y2389-V2394 VanDerWaalsContact CD1-CG1 3.41Å; Y2389-V2394 HydrophobicContact CE1-CG1 4.28Å; Y2389-V2394 HydrophobicContact CG-CG1 3.71Å; H2390-V2394 PolarHBondContact O-N 2.87Å; Q2391-V2394 CarbonylContact O-C 3.51Å; Q2391-V2394 WeakPolarHBondContact O-CG2 3.26Å; Q2391-V2394 PolarHBondContact O-N 2.79Å; I2392-V2394 PolarHBondContact O-N 2.87Å; V2394-Y2406 HydrophobicContact CB-CE2 4.45Å; V2394-Y2406 WeakPolarHBondContact CB-OH 3.43Å; V2394-Y2406 VanDerWaalsContact CG1-OH 3.23Å; V2394-Y2406 WeakPolarHBondContact CG1-OH 3.45Å; V2394-Y2406 HydrophobicContact CG2-CE1 4.3Å; V2394-Y2406 HydrophobicContact CG2-CE2 4.07Å; V2394-Y2406 WeakPolarHBondContact CG2-OH 3.07Å |
| 2395 | G | 68.6 | Low | 64.4 | Low | 40 Ų | 40 | 65.1 Ų | 65.1 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 10 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q2391 I2392 H2397 | Q2391-G2395 PolarHBondContact O-N 3.35Å; I2392-G2395 PolarHBondContact O-N 2.88Å; I2392-G2395 VanDerWaalsContact O-N 3.12Å; G2395-H2397 PolarHBondContact O-CD2 3.43Å; G2395-H2397 VanDerWaalsContact O-CD2 3.25Å; G2395-H2397 PolarHBondContact O-N 3.44Å |
| 2396 | I | 70.6 | Confident | 64.5 | Low | 10 Ų | 10 | 64 Ų | 64 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | trans | -83.9 | 101.5 | 168.1 | -55.8 | -178 | 0 | 0 | 0 | 107.4 | V2380 Q2391 I2392 Q2401 L2402 Y2406 | V2380-I2396 HydrophobicContact CB-CD1 4.47Å; V2380-I2396 HydrophobicContact CG1-CD1 4.07Å; V2380-I2396 HydrophobicContact CG2-CD1 4.25Å; Q2391-I2396 CarbonylContact C-O 3.55Å; Q2391-I2396 HydrophobicContact CB-CB 3.94Å; Q2391-I2396 HydrophobicContact CB-CG2 4.17Å; Q2391-I2396 HydrophobicContact CG-CB 4.44Å; Q2391-I2396 HydrophobicContact CG-CG2 4.37Å; Q2391-I2396 WeakPolarHBondContact O-CA 3.41Å; Q2391-I2396 WeakPolarHBondContact O-CB 3.36Å; Q2391-I2396 PolarHBondContact O-N 3.25Å; I2392-I2396 PolarHBondContact N-O 2.73Å; I2396-Q2401 HydrophobicContact CG2-CB 4.15Å; I2396-L2402 HydrophobicContact CD1-CG 4.3Å; I2396-L2402 HydrophobicContact CG2-CD1 3.9Å; I2396-L2402 HydrophobicContact CG2-CG 4.1Å; I2396-Y2406 HydrophobicContact CD1-CD2 3.85Å; I2396-Y2406 HydrophobicContact CD1-CE2 4.09Å | ||
| 2397 | H | 53.7 | Low | 65 | Low | 112 Ų | 112 | 62.3 Ų | 62.3 | 52% | 0.519 | 30% | 0.3 | S | S | . | . | trans | -104.4 | 1.4 | -172.9 | -68.1 | -70.4 | 0 | 0 | 0 | 114.1 | G2395 Q2401 | G2395-H2397 PolarHBondContact O-CD2 3.43Å; G2395-H2397 VanDerWaalsContact O-CD2 3.25Å; G2395-H2397 PolarHBondContact O-N 3.44Å; H2397-Q2401 VanDerWaalsContact N-OE1 3.12Å | ||
| 2398 | H | 45.6 | Very low | 65.5 | Low | 136 Ų | 136 | 58 Ų | 58 | 63% | 0.63 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -153.3 | 151.4 | 176.5 | -105.5 | -90 | 0 | 0 | 0 | 111.8 | F2400 Q2401 | H2398-F2400 PolarHBondContact O-N 3.14Å; H2398-Q2401 HydrophobicContact CB-CG 4.38Å; H2398-Q2401 WeakPolarHBondContact O-CB 3.45Å; H2398-Q2401 PolarHBondContact O-N 3.06Å |
| 2399 | H | 42.5 | Very low | 64.6 | Low | 83 Ų | 83 | 56.8 Ų | 56.8 | 38% | 0.384 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -15.1 | 177.4 | -101.9 | -10.8 | 0 | 0 | 0 | 115.3 | K2378 | K2378-H2399 PolarHBondContact NZ-NE2 2.92Š|
| 2400 | F | 42.4 | Very low | 63.7 | Low | 202 Ų | 202 | 60.6 Ų | 60.6 | 89% | 0.886 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 14.1 | 173.9 | -63.3 | -77.7 | 0 | 0 | 0 | 113.5 | H2398 | H2398-F2400 PolarHBondContact O-N 3.14Š|
| 2401 | Q | 46.5 | Very low | 63 | Low | 109 Ų | 109 | 60.6 Ų | 60.6 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | trans | -116.8 | 1.3 | 178.5 | -69.1 | -174 | -35.8 | 0 | 0 | 114.2 | I2396 H2397 H2398 P2403 | I2396-Q2401 HydrophobicContact CG2-CB 4.15Å; H2397-Q2401 VanDerWaalsContact N-OE1 3.12Å; H2398-Q2401 HydrophobicContact CB-CG 4.38Å; H2398-Q2401 WeakPolarHBondContact O-CB 3.45Å; H2398-Q2401 PolarHBondContact O-N 3.06Å; Q2401-P2403 WeakPolarHBondContact O-CD 3.22Å | ||
| 2402 | L | 45.6 | Very low | 62.2 | Low | 44 Ų | 44 | 64.1 Ų | 64.1 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | trans | -67.1 | 122 | 168.1 | -75.3 | 89.6 | 0 | 0 | 0 | 108.5 | V2380 I2396 | V2380-L2402 HydrophobicContact CG2-CD2 4.48Å; I2396-L2402 HydrophobicContact CD1-CG 4.3Å; I2396-L2402 HydrophobicContact CG2-CD1 3.9Å; I2396-L2402 HydrophobicContact CG2-CG 4.1Å | ||
| 2403 | P | 50.3 | Low | 61.5 | Low | 58 Ų | 58 | 65.2 Ų | 65.2 | 38% | 0.377 | 34% | 0.335 | S | S | . | . | trans | -71.7 | 164 | 169.6 | 33 | -35.5 | 0 | 0 | 0 | 110.2 | Q2401 V2405 Y2406 | Q2401-P2403 WeakPolarHBondContact O-CD 3.22Å; P2403-V2405 WeakPolarHBondContact CG-O 3.08Å; P2403-V2405 PolarHBondContact O-N 2.73Å; P2403-Y2406 HydrophobicContact CG-CD2 4.35Å | ||
| 2404 | K | 54.3 | Low | 60 | Low | 69 Ų | 69 | 72.1 Ų | 72.1 | 30% | 0.3 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -34.8 | -73.6 | 163.2 | -90.2 | -114.5 | 160.3 | -147.5 | 0 | 109.3 | V66 S260 S261 N262 E312 | V66-K2404 HydrophobicContact CG2-CD 4.41Å; S260-K2404 CarbonylContact C-O 3.49Å; S260-K2404 WeakPolarHBondContact CA-O 3.41Å; S260-K2404 WeakPolarHBondContact CB-O 3.15Å; S260-K2404 CarbonylContact O-C 3.53Å; S260-K2404 WeakPolarHBondContact O-CA 3.44Å; S260-K2404 WeakPolarHBondContact O-CB 3.15Å; S260-K2404 VanDerWaalsContact O-CD 3.23Å; S260-K2404 WeakPolarHBondContact O-CD 3.4Å; S260-K2404 WeakPolarHBondContact O-CG 3.07Å; S260-K2404 PolarHBondContact OG-O 3.1Å; S261-K2404 PolarHBondContact N-O 3.44Å; S261-K2404 WeakPolarHBondContact OG-CE 3.44Å; S261-K2404 PolarHBondContact OG-NZ 2.91Å; N262-K2404 HydrophobicContact CB-CG 3.71Å; N262-K2404 WeakPolarHBondContact OD1-CG 3.5Å; N262-K2404 PolarHBondContact OD1-N 2.95Å; E312-K2404 IonicContact OE1-NZ 3.1Å; E312-K2404 PolarHBondContact OE1-NZ 3.04Å |
| 2405 | V | 53.9 | Low | 58.4 | Low | 28 Ų | 28 | 71.5 Ų | 71.5 | 17% | 0.17 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -106.4 | 126.2 | -177 | -157.7 | 0 | 0 | 0 | 0 | 108.9 | K259 E2383 P2403 F2407 | K259-V2405 HydrophobicContact CB-CG2 3.55Å; K259-V2405 HydrophobicContact CG-CG2 3.88Å; E2383-V2405 HydrophobicContact CB-CG1 3.96Å; E2383-V2405 VanDerWaalsContact CD-CG1 3.45Å; E2383-V2405 HydrophobicContact CG-CG1 4.05Å; E2383-V2405 WeakPolarHBondContact OE2-CG1 3.19Å; P2403-V2405 WeakPolarHBondContact CG-O 3.08Å; P2403-V2405 PolarHBondContact O-N 2.73Å; V2405-F2407 HydrophobicContact CB-CD2 4.24Å; V2405-F2407 HydrophobicContact CB-CE2 3.74Å; V2405-F2407 HydrophobicContact CB-CZ 4.35Å; V2405-F2407 HydrophobicContact CG1-CD2 4.1Å; V2405-F2407 HydrophobicContact CG1-CE1 4.32Å; V2405-F2407 HydrophobicContact CG1-CE2 3.48Å; V2405-F2407 VanDerWaalsContact CG1-CE2 3.48Å; V2405-F2407 HydrophobicContact CG1-CZ 3.61Å |
| 2406 | Y | 77 | Confident | 57.1 | Low | 20 Ų | 20 | 71.6 Ų | 71.6 | 8% | 0.078 | 35% | 0.35 | C | S | . | . | trans | -90.5 | 117.7 | 171 | -175 | -101.2 | 0 | 0 | 0 | 111.7 | V2380 Q2381 C2382 E2383 Y2389 V2394 I2396 P2403 C2408 | V2380-Y2406 HydrophobicContact CB-CD1 4.41Å; V2380-Y2406 HydrophobicContact CB-CG 4.49Å; V2380-Y2406 HydrophobicContact CG1-CD1 3.95Å; V2380-Y2406 HydrophobicContact CG1-CE1 4.04Å; V2380-Y2406 HydrophobicContact CG1-CG 4.22Å; V2380-Y2406 VanDerWaalsContact CG2-CB 3.49Å; V2380-Y2406 HydrophobicContact CG2-CD1 3.72Å; V2380-Y2406 HydrophobicContact CG2-CD2 4.15Å; V2380-Y2406 HydrophobicContact CG2-CG 3.46Å; V2380-Y2406 VanDerWaalsContact CG2-CG 3.46Å; Q2381-Y2406 WeakPolarHBondContact O-CD1 3.46Å; C2382-Y2406 WeakPolarHBondContact CA-O 3.22Å; C2382-Y2406 HydrophobicContact CB-CD1 4.41Å; C2382-Y2406 HydrophobicContact CB-CE1 4.38Å; E2383-Y2406 PolarHBondContact N-O 3.05Å; Y2389-Y2406 HydrophobicContact CD2-CE1 4.17Å; V2394-Y2406 HydrophobicContact CB-CE2 4.45Å; V2394-Y2406 WeakPolarHBondContact CB-OH 3.43Å; V2394-Y2406 VanDerWaalsContact CG1-OH 3.23Å; V2394-Y2406 WeakPolarHBondContact CG1-OH 3.45Å; V2394-Y2406 HydrophobicContact CG2-CE1 4.3Å; V2394-Y2406 HydrophobicContact CG2-CE2 4.07Å; V2394-Y2406 WeakPolarHBondContact CG2-OH 3.07Å; I2396-Y2406 HydrophobicContact CD1-CD2 3.85Å; I2396-Y2406 HydrophobicContact CD1-CE2 4.09Å; P2403-Y2406 HydrophobicContact CG-CD2 4.35Å; Y2406-C2408 HydrophobicContact CE1-CB 4.26Å; Y2406-C2408 WeakPolarHBondContact OH-CA 3.24Å | ||
| 2407 | F | 74 | Confident | 55.6 | Low | 53 Ų | 53 | 75.3 Ų | 75.3 | 23% | 0.232 | 37% | 0.367 | C | S | . | . | trans | -112.2 | 129.3 | 167.3 | -64 | -76.9 | 0 | 0 | 0 | 108.8 | E2383 A2384 V2405 H2412 | E2383-F2407 HydrophobicContact CB-CE1 4.33Å; A2384-F2407 HydrophobicContact CB-CD1 3.62Å; A2384-F2407 HydrophobicContact CB-CE1 3.85Å; V2405-F2407 HydrophobicContact CB-CD2 4.24Å; V2405-F2407 HydrophobicContact CB-CE2 3.74Å; V2405-F2407 HydrophobicContact CB-CZ 4.35Å; V2405-F2407 HydrophobicContact CG1-CD2 4.1Å; V2405-F2407 HydrophobicContact CG1-CE1 4.32Å; V2405-F2407 HydrophobicContact CG1-CE2 3.48Å; V2405-F2407 VanDerWaalsContact CG1-CE2 3.48Å; V2405-F2407 HydrophobicContact CG1-CZ 3.61Å; F2407-H2412 HydrophobicContact CB-CB 3.77Å | ||
| 2408 | C | 83.1 | Confident | 54.7 | Low | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.007 | 35% | 0.348 | C | S | . | . | trans | -60.1 | 155.6 | 173.2 | 78.5 | 0 | 0 | 0 | 0 | 110.6 | C2382 Y2389 Y2406 T2410 C2411 H2412 | C2382-C2408 HydrophobicContact CB-CB 3.87Å; C2382-C2408 PolarHBondContact SG-N 3Å; C2382-C2408 VanDerWaalsContact SG-SG 3.62Å; Y2389-C2408 HydrophobicContact CD2-CB 4.4Å; Y2389-C2408 HydrophobicContact CE1-CB 4.07Å; Y2389-C2408 HydrophobicContact CE2-CB 3.67Å; Y2389-C2408 VanDerWaalsContact CZ-CB 3.49Å; Y2406-C2408 HydrophobicContact CE1-CB 4.26Å; Y2406-C2408 WeakPolarHBondContact OH-CA 3.24Å; C2408-T2410 PolarHBondContact O-N 2.91Å; C2408-C2411 PolarHBondContact O-N 2.7Å; C2408-C2411 PolarHBondContact SG-N 3.26Å; C2408-H2412 VanDerWaalsContact O-CB 3.27Å; C2408-H2412 WeakPolarHBondContact O-CB 3.26Å; C2408-H2412 PolarHBondContact O-N 3.44Å | ||
| 2409 | P | 65 | Low | 53.9 | Low | 76 Ų | 76 | 70 Ų | 70 | 49% | 0.494 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -52.5 | -33.7 | -175.8 | -28.9 | 36.5 | 0 | 0 | 0 | 113.8 | Q2413 | P2409-Q2413 VanDerWaalsContact O-CB 3.3Å; P2409-Q2413 WeakPolarHBondContact O-CB 3.36Å; P2409-Q2413 VanDerWaalsContact O-CG 3.26Å; P2409-Q2413 WeakPolarHBondContact O-CG 3.41Å; P2409-Q2413 PolarHBondContact O-N 3.01Å |
| 2410 | T | 68.2 | Low | 53.5 | Low | 93 Ų | 93 | 70.8 Ų | 70.8 | 57% | 0.571 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.2 | -49.2 | 176.6 | -44.3 | 0 | 0 | 0 | 0 | 112.7 | C2408 Q2413 R2414 | C2408-T2410 PolarHBondContact O-N 2.91Å; T2410-Q2413 PolarHBondContact O-N 3.06Å; T2410-R2414 PolarHBondContact O-N 2.86Å |
| 2411 | C | 72.4 | Confident | 53 | Low | 10 Ų | 10 | 63.4 Ų | 63.4 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -81 | -30.1 | -179.3 | -63.1 | 0 | 0 | 0 | 0 | 112.4 | A2384 C2408 Q2413 R2414 A2415 | A2384-C2411 HydrophobicContact CB-CB 3.46Å; A2384-C2411 VanDerWaalsContact CB-CB 3.46Å; A2384-C2411 PolarHBondContact O-SG 3.4Å; A2384-C2411 VanDerWaalsContact O-SG 3.37Å; C2408-C2411 PolarHBondContact O-N 2.7Å; C2408-C2411 PolarHBondContact SG-N 3.26Å; C2411-Q2413 VanDerWaalsContact C-N 3.27Å; C2411-Q2413 PolarHBondContact O-N 2.79Å; C2411-R2414 WeakPolarHBondContact O-CA 3.43Å; C2411-R2414 WeakPolarHBondContact O-CB 3.47Å; C2411-R2414 PolarHBondContact O-N 3.2Å; C2411-A2415 PolarHBondContact O-N 2.95Å |
| 2412 | H | 64.8 | Low | 52.1 | Low | 94 Ų | 94 | 64 Ų | 64 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 168.8 | -162.9 | 64.5 | 0 | 0 | 0 | 111 | F2407 C2408 R2414 T2416 | F2407-H2412 HydrophobicContact CB-CB 3.77Å; C2408-H2412 VanDerWaalsContact O-CB 3.27Å; C2408-H2412 WeakPolarHBondContact O-CB 3.26Å; C2408-H2412 PolarHBondContact O-N 3.44Å; H2412-R2414 VanDerWaalsContact C-N 3.26Å; H2412-R2414 PolarHBondContact O-N 3.34Å; H2412-T2416 WeakPolarHBondContact NE2-CG2 3.22Å; H2412-T2416 VanDerWaalsContact O-CB 3.28Å; H2412-T2416 WeakPolarHBondContact O-CB 3.3Å; H2412-T2416 WeakPolarHBondContact O-CG2 3.18Å; H2412-T2416 PolarHBondContact O-N 3.47Å; H2412-T2416 PolarHBondContact O-OG1 3.05Å |
| 2413 | Q | 55.9 | Low | 51.1 | Low | 89 Ų | 89 | 71.7 Ų | 71.7 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.7 | -16.5 | 169.5 | -81.5 | -175.3 | 3.9 | 0 | 0 | 114.3 | P2409 T2410 C2411 | P2409-Q2413 VanDerWaalsContact O-CB 3.3Å; P2409-Q2413 WeakPolarHBondContact O-CB 3.36Å; P2409-Q2413 VanDerWaalsContact O-CG 3.26Å; P2409-Q2413 WeakPolarHBondContact O-CG 3.41Å; P2409-Q2413 PolarHBondContact O-N 3.01Å; T2410-Q2413 PolarHBondContact O-N 3.06Å; C2411-Q2413 VanDerWaalsContact C-N 3.27Å; C2411-Q2413 PolarHBondContact O-N 2.79Å |
| 2414 | R | 47.5 | Very low | 50 | Low | 159 Ų | 159 | 78.2 Ų | 78.2 | 60% | 0.6 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -77.1 | -63.4 | 165.5 | -63.9 | -178.4 | 177.7 | -174.2 | -0.8 | 109.3 | T2410 C2411 H2412 T2416 H2417 | T2410-R2414 PolarHBondContact O-N 2.86Å; C2411-R2414 WeakPolarHBondContact O-CA 3.43Å; C2411-R2414 WeakPolarHBondContact O-CB 3.47Å; C2411-R2414 PolarHBondContact O-N 3.2Å; H2412-R2414 VanDerWaalsContact C-N 3.26Å; H2412-R2414 PolarHBondContact O-N 3.34Å; R2414-T2416 PolarHBondContact O-N 2.85Å; R2414-H2417 VanDerWaalsContact O-CB 3.29Å; R2414-H2417 WeakPolarHBondContact O-CB 3.32Å; R2414-H2417 PolarHBondContact O-N 3.01Å |
| 2415 | A | 44.4 | Very low | 48.7 | Very low | 15 Ų | 15 | 80.9 Ų | 80.9 | 12% | 0.124 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.4 | -37.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | C2411 H2417 D2418 L2419 | C2411-A2415 PolarHBondContact O-N 2.95Å; A2415-H2417 VanDerWaalsContact C-N 3.26Å; A2415-H2417 PolarHBondContact O-N 3.03Å; A2415-D2418 PolarHBondContact O-N 3.13Å; A2415-L2419 PolarHBondContact O-N 2.8Å; A2415-L2419 VanDerWaalsContact O-N 3.17Å |
| 2416 | T | 40.8 | Very low | 47.3 | Very low | 43 Ų | 43 | 87.6 Ų | 87.6 | 26% | 0.264 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.7 | -17.3 | 175.6 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | H2412 R2414 D2418 T2420 | H2412-T2416 WeakPolarHBondContact NE2-CG2 3.22Å; H2412-T2416 VanDerWaalsContact O-CB 3.28Å; H2412-T2416 WeakPolarHBondContact O-CB 3.3Å; H2412-T2416 WeakPolarHBondContact O-CG2 3.18Å; H2412-T2416 PolarHBondContact O-N 3.47Å; H2412-T2416 PolarHBondContact O-OG1 3.05Å; R2414-T2416 PolarHBondContact O-N 2.85Å; T2416-D2418 VanDerWaalsContact C-N 3.27Å; T2416-D2418 PolarHBondContact O-N 3.24Å; T2416-T2420 WeakPolarHBondContact O-CB 3.37Å; T2416-T2420 PolarHBondContact O-N 3.26Å; T2416-T2420 PolarHBondContact O-OG1 3.43Å |
| 2417 | H | 40.8 | Very low | 44.9 | Very low | 88 Ų | 88 | 91.9 Ų | 91.9 | 41% | 0.407 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.2 | -27.6 | 175 | -156.7 | -50.8 | 0 | 0 | 0 | 111.6 | R2414 A2415 V2421 | R2414-H2417 VanDerWaalsContact O-CB 3.29Å; R2414-H2417 WeakPolarHBondContact O-CB 3.32Å; R2414-H2417 PolarHBondContact O-N 3.01Å; A2415-H2417 VanDerWaalsContact C-N 3.26Å; A2415-H2417 PolarHBondContact O-N 3.03Å; H2417-V2421 WeakPolarHBondContact O-CG2 3.27Å |
| 2418 | D | 33 | Very low | 42.6 | Very low | 25 Ų | 25 | 96.6 Ų | 96.6 | 13% | 0.134 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -88.6 | -44.9 | 175.9 | -63.3 | -59.3 | 0 | 0 | 0 | 111.5 | A2415 T2416 T2420 V2421 R2422 | A2415-D2418 PolarHBondContact O-N 3.13Å; T2416-D2418 VanDerWaalsContact C-N 3.27Å; T2416-D2418 PolarHBondContact O-N 3.24Å; D2418-T2420 PolarHBondContact O-N 3.47Å; D2418-T2420 VanDerWaalsContact O-N 3.15Å; D2418-V2421 PolarHBondContact O-N 3.09Å; D2418-R2422 PolarHBondContact O-N 2.76Å |
| 2419 | L | 29.6 | Very low | 39.9 | Very low | 110 Ų | 110 | 99.3 Ų | 99.3 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.7 | -18.9 | 176.2 | -70.3 | 171.6 | 0 | 0 | 0 | 114.6 | A2415 | A2415-L2419 PolarHBondContact O-N 2.8Å; A2415-L2419 VanDerWaalsContact O-N 3.17Å |
| 2420 | T | 33.3 | Very low | 38.3 | Very low | 101 Ų | 101 | 104.7 Ų | 104.7 | 62% | 0.62 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -20 | 174.6 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | T2416 D2418 | T2416-T2420 WeakPolarHBondContact O-CB 3.37Å; T2416-T2420 PolarHBondContact O-N 3.26Å; T2416-T2420 PolarHBondContact O-OG1 3.43Å; D2418-T2420 PolarHBondContact O-N 3.47Å; D2418-T2420 VanDerWaalsContact O-N 3.15Å |
| 2421 | V | 32.5 | Very low | 36.4 | Very low | 47 Ų | 47 | 107.2 Ų | 107.2 | 29% | 0.285 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -74.4 | -46.2 | 174.3 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | L250 H2417 D2418 R2423 | L250-V2421 HydrophobicContact CD2-CB 4.25Å; L250-V2421 HydrophobicContact CD2-CG1 3.94Å; H2417-V2421 WeakPolarHBondContact O-CG2 3.27Å; D2418-V2421 PolarHBondContact O-N 3.09Å; V2421-R2423 PolarHBondContact O-N 3.39Å |
| 2422 | R | 27.3 | Very low | 34.1 | Very low | 122 Ų | 122 | 115.6 Ų | 115.6 | 46% | 0.46 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -71.6 | 27.5 | 178.6 | -73.3 | -171.8 | 172.6 | 168.7 | 3.2 | 115.4 | N88 E91 D2418 | N88-R2422 PolarHBondContact OD1-NH2 3.13Å; E91-R2422 IonicContact OE1-NE 3.87Å; E91-R2422 IonicContact OE2-NE 3.6Å; D2418-R2422 PolarHBondContact O-N 2.76Å |
| 2423 | R | 25.6 | Very low | 32.2 | Very low | 205 Ų | 205 | 116.5 Ų | 116.5 | 77% | 0.774 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -142.2 | 2.7 | 179.9 | -123 | 173 | -169.2 | 160 | 8.3 | 118.6 | V2421 | V2421-R2423 PolarHBondContact O-N 3.39Š|
| 2424 | K | 26.9 | Very low | 30.9 | Very low | 194 Ų | 194 | 123.7 Ų | 123.7 | 84% | 0.843 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -147.3 | 45.8 | 173.5 | -85.1 | -156.7 | 176.7 | -176.6 | 0 | 115.7 | ||
| 2425 | Q | 26.1 | Very low | 29.7 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 59% | 0.589 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -124.9 | 153.6 | 139.5 | -75.2 | -165.1 | -1.1 | 0 | 0 | 108.4 | ||
| 2426 | L | 25 | Very low | 29.3 | Very low | 168 Ų | 168 | 128.1 Ų | 128.1 | 88% | 0.88 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 57.5 | 109.4 | -155.6 | -58.6 | 174.1 | 0 | 0 | 0 | 113.4 | ||
| 2427 | S | 26.4 | Very low | 28.6 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 67% | 0.671 | S | S | * | * | cis | -153.3 | 143.1 | -7.4 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2428 | T | 26.1 | Very low | 28 | Very low | 153 Ų | 153 | 132 Ų | 132 | 94% | 0.939 | 68% | 0.681 | S | S | * | * | trans | -110.2 | 98.7 | 160.8 | 46.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2429 | G | 27.4 | Very low | 27.8 | Very low | 57 Ų | 57 | 138.9 Ų | 138.9 | 59% | 0.588 | 71% | 0.705 | S | S | * | * | trans | -145 | 106.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 2430 | K | 29.8 | Very low | 27.6 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | 72.4 | 126.6 | 87.8 | -76.5 | -179.1 | 180 | -178.5 | 0 | 111.1 | |||||
| 2431 | N | 28.7 | Very low | 27.9 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | cis | -114.5 | 161.9 | 10.7 | -63.5 | -53.3 | 0 | 0 | 0 | 111.9 | ||||
| 2432 | F | 23.2 | Very low | 27.9 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | cis | 81.4 | 68.1 | 35.1 | -103.2 | -70 | 0 | 0 | 0 | 116.7 | ||||
| 2433 | S | 26 | Very low | 28 | Very low | 114 Ų | 114 | 149 Ų | 149 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | -166.3 | 128 | 152.5 | 55.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 2434 | R | 28.3 | Very low | 28.1 | Very low | 239 Ų | 239 | 148.1 Ų | 148.1 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | cis | -135.4 | 160.9 | -2.9 | -65.3 | 178.8 | 173 | 155.3 | -4.2 | 110.6 | ||||
| 2435 | L | 23.5 | Very low | 29 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | -118.2 | 165.9 | 152.8 | -84.6 | 170.7 | 0 | 0 | 0 | 107.2 | ||||
| 2436 | P | 34.6 | Very low | 29.2 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | cis | -98.7 | -125.9 | 1.6 | 17.4 | 6.8 | 0 | 0 | 0 | 110.7 | ||||
| 2437 | S | 26.8 | Very low | 29.6 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 57% | 0.566 | 74% | 0.744 | S | S | * | * | cis | -157.6 | 136.1 | 4.2 | -117.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2438 | E | 28.6 | Very low | 29.8 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 62% | 0.617 | 75% | 0.746 | S | S | * | * | 88 | 146.4 | 88.7 | -71.3 | -167.1 | 150.1 | 0 | 0 | 113.9 | |||||
| 2439 | R | 27.8 | Very low | 30.1 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 63% | 0.634 | 74% | 0.738 | S | S | * | * | cis | -166.3 | 140.6 | 2.4 | -115.7 | 175.9 | -165.6 | -177.1 | 23.5 | 111.4 | ||||
| 2440 | F | 24.7 | Very low | 30.3 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 74% | 0.737 | 74% | 0.744 | S | S | * | * | 95.6 | 175.7 | 106.9 | -84.4 | 1.3 | 0 | 0 | 0 | 118.2 | |||||
| 2441 | P | 40.7 | Very low | 30.4 | Very low | 88 Ų | 88 | 150.7 Ų | 150.7 | 57% | 0.571 | 75% | 0.745 | S | S | * | * | -152.2 | -175.6 | -62 | 48.6 | -30.1 | 0 | 0 | 0 | 118.2 | |||||
| 2442 | D | 32 | Very low | 30.6 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | trans | 54.9 | 170.7 | 144 | -57.6 | -24.4 | 0 | 0 | 0 | 121.9 | ||||
| 2443 | K | 30 | Very low | 31 | Very low | 192 Ų | 192 | 149.1 Ų | 149.1 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | cis | -154.6 | 128.3 | 23.7 | -64.1 | 169.9 | -178.9 | 169.8 | 0 | 116.9 | ||||
| 2444 | H | 27.9 | Very low | 31.4 | Very low | 186 Ų | 186 | 147.7 Ų | 147.7 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | 62.4 | 179.9 | 110.9 | -113.2 | -13.3 | 0 | 0 | 0 | 125.6 | |||||
| 2445 | P | 44.4 | Very low | 31.7 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | -139 | -141.8 | -125.9 | 51.3 | -30.5 | 0 | 0 | 0 | 117.6 | |||||
| 2446 | S | 31.3 | Very low | 32 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | trans | -148.4 | -148.4 | 171.2 | -91.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2447 | K | 33.8 | Very low | 31.6 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | -119.5 | -172.9 | -155.7 | -43.9 | 95.8 | -169.3 | 167.1 | 0 | 112.1 | ||||
| 2448 | L | 30.6 | Very low | 31.6 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | cis | -134.8 | -172.1 | 8.1 | -64.1 | 86.7 | 0 | 0 | 0 | 109.3 | ||||
| 2449 | H | 31.1 | Very low | 31.9 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | cis | 87.6 | 133.1 | 2 | -70.2 | 42.3 | 0 | 0 | 0 | 118.3 | ||||
| 2450 | L | 31.7 | Very low | 32.2 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | cis | -119.6 | -131.1 | -10.3 | -71.4 | 176.7 | 0 | 0 | 0 | 109.9 | ||||
| 2451 | R | 33 | Very low | 32.2 | Very low | 222 Ų | 222 | 141 Ų | 141 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | cis | -167.3 | 165.5 | -11.5 | -139 | -170.2 | 177.4 | -179.4 | -1 | 105.3 | ||||
| 2452 | T | 33.5 | Very low | 31.5 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | cis | -153.3 | -158.6 | -1.9 | -27.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 2453 | K | 31.7 | Very low | 31.2 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | cis | -159.2 | 163.6 | -13.6 | -172.5 | -133.1 | 170.5 | 179 | 0 | 106.5 | ||||
| 2454 | A | 33.9 | Very low | 31.3 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | trans | -157.7 | -174.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2455 | T | 34.9 | Very low | 31.5 | Very low | 136 Ų | 136 | 136 Ų | 136 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -143.9 | 163.6 | 168.3 | 33 | 0 | 0 | 0 | 0 | 112 | ||||
| 2456 | A | 28.3 | Very low | 30.7 | Very low | 107 Ų | 107 | 138 Ų | 138 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | trans | -131.1 | 172.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2457 | G | 27.2 | Very low | 30.4 | Very low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | cis | 174.1 | -141.2 | 5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2458 | S | 27 | Very low | 30 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | 94 | 152.6 | 170.4 | -62.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2459 | P | 35.2 | Very low | 29.8 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -138.6 | 179.7 | -150.8 | 43.3 | -24.9 | 0 | 0 | 0 | 116.7 | ||||
| 2460 | L | 32.6 | Very low | 30.5 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | trans | -136.8 | 139.9 | 148.8 | -89.2 | -179.7 | 0 | 0 | 0 | 112.8 | ||||
| 2461 | K | 25.3 | Very low | 30.1 | Very low | 186 Ų | 186 | 138 Ų | 138 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | trans | -115 | 155.7 | 161 | -69 | 176.2 | 177 | 175.5 | 0 | 107.5 | ||||
| 2462 | L | 26.2 | Very low | 29.7 | Very low | 177 Ų | 177 | 130.3 Ų | 130.3 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | trans | 163.9 | 159.4 | 132.4 | -110.1 | 75.1 | 0 | 0 | 0 | 108.4 | ||||
| 2463 | G | 25.8 | Very low | 29.5 | Very low | 67 Ų | 67 | 136.3 Ų | 136.3 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | cis | -107.1 | -158.8 | -32.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 2464 | S | 32.2 | Very low | 29.2 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | 160.6 | 151.2 | 10.2 | 36.5 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 2465 | H | 31.7 | Very low | 28.8 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | cis | -161.5 | 151.8 | -4.2 | -117.1 | -52.8 | 0 | 0 | 0 | 107.7 | ||||
| 2466 | L | 27.3 | Very low | 28.1 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 63.4 | 149.3 | 146.9 | -60.2 | 167.6 | 0 | 0 | 0 | 118.5 | ||||
| 2467 | S | 26.6 | Very low | 27.9 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | cis | -159.3 | 158.2 | -16.5 | 46.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2468 | Q | 25.1 | Very low | 27.8 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | 9.4 | 135.6 | 125.3 | -36.3 | 171.8 | 6.2 | 0 | 0 | 115.5 | |||||
| 2469 | R | 26.5 | Very low | 27.6 | Very low | 224 Ų | 224 | 139.1 Ų | 139.1 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | cis | -149.9 | 147.2 | 38.1 | -73.9 | 179.5 | 170.5 | 175.8 | -3.4 | 114.1 | ||||
| 2470 | P | 44.6 | Very low | 27.3 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | trans | -84.8 | -162.5 | 149.9 | 38.7 | -33.5 | 0 | 0 | 0 | 110.5 | ||||
| 2471 | V | 23.1 | Very low | 27 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | 89.3 | 127 | 179.1 | -173.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2472 | G | 25.5 | Very low | 27.1 | Very low | 61 Ų | 61 | 134.7 Ų | 134.7 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | 91 | 133.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2473 | W | 29.2 | Very low | 27 | Very low | 245 Ų | 245 | 137 Ų | 137 | 93% | 0.928 | 77% | 0.766 | S | S | * | * | cis | -112 | 124.4 | 0.1 | -75.3 | 7.7 | 0 | 0 | 0 | 112.2 | ||||
| 2474 | T | 25.6 | Very low | 26.9 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -109.5 | 79.1 | 165.7 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2475 | T | 24.2 | Very low | 26.6 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 64% | 0.644 | 77% | 0.77 | S | S | * | * | trans | -147.4 | 121.8 | 164.4 | 31.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 2476 | K | 21.9 | Very low | 26.3 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | 60.4 | 113.4 | 75.3 | -67.1 | -176.5 | 177.2 | -178.8 | 0 | 110.5 | |||||
| 2477 | S | 23.7 | Very low | 26.3 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | 66 | 100.1 | 67.5 | -53.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 2478 | A | 24 | Very low | 26.2 | Very low | 89 Ų | 89 | 149.8 Ų | 149.8 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | -136.3 | 116.4 | 128.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | |||||
| 2479 | V | 23.8 | Very low | 26.4 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | 55.5 | 98.5 | 93.9 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 2480 | L | 29.2 | Very low | 26.2 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | -142.5 | 135.6 | 100.2 | -96.9 | 169.8 | 0 | 0 | 0 | 109.8 | |||||
| 2481 | S | 25.7 | Very low | 25.1 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | -92.3 | 163.5 | 172.1 | -51.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 2482 | P | 26.8 | Very low | 25.6 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | -114 | 148.3 | 97.3 | 33.7 | -34.7 | 0 | 0 | 0 | 111 | |||||
| 2483 | R | 24.1 | Very low | 25.8 | Very low | 226 Ų | 226 | 142.2 Ų | 142.2 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | cis | 58.8 | 89 | 49 | -87.3 | -164.2 | 172.6 | -166.2 | 0.3 | 114.3 | ||||
| 2484 | L | 24.6 | Very low | 25.5 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | trans | 67.7 | 155.5 | 154 | -67.2 | 160.7 | 0 | 0 | 0 | 114.3 | ||||
| 2485 | P | 26.5 | Very low | 25.4 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | cis | -94.6 | 168.7 | 31.6 | 13.6 | 8.6 | 0 | 0 | 0 | 112.8 | ||||
| 2486 | K | 25.4 | Very low | 25.5 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 74% | 0.735 | 74% | 0.737 | S | S | * | * | 54.7 | 131.4 | 60.5 | -83.1 | -177.5 | 179 | -179.7 | 0 | 111.3 | R2488 | K2486-R2488 PolarHBondContact O-N 3.47Š| |||
| 2487 | L | 27 | Very low | 25.7 | Very low | 164 Ų | 164 | 133 Ų | 133 | 86% | 0.859 | 73% | 0.733 | S | S | * | * | 36.3 | 73.5 | 89.4 | -73.8 | 173 | 0 | 0 | 0 | 112.8 | |||||
| 2488 | R | 23.7 | Very low | 26 | Very low | 235 Ų | 235 | 132.9 Ų | 132.9 | 89% | 0.887 | 73% | 0.727 | S | S | * | * | -163.1 | 153.6 | 129 | -104 | -168.6 | -172.3 | -143.2 | 1.1 | 110.7 | K2486 | K2486-R2488 PolarHBondContact O-N 3.47Š| |||
| 2489 | P | 29.1 | Very low | 26.3 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | -138.5 | -164.8 | -65.7 | 39.3 | -19.3 | 0 | 0 | 0 | 111.7 | |||||
| 2490 | Y | 21.7 | Very low | 26.6 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 73% | 0.729 | 72% | 0.717 | S | S | * | * | 39.9 | 131.6 | 109.5 | -81.1 | -144.4 | 0 | 0 | 0 | 117.7 | |||||
| 2491 | N | 22.7 | Very low | 26.7 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 47% | 0.465 | 71% | 0.709 | S | S | . | * | trans | 77 | 134.3 | 134.4 | -66.4 | 19.2 | 0 | 0 | 0 | 118.1 | E2494 | N2491-E2494 PolarHBondContact ND2-OE1 3.31Š| ||
| 2492 | G | 33.8 | Very low | 27.1 | Very low | 64 Ų | 64 | 132.6 Ų | 132.6 | 66% | 0.66 | 70% | 0.702 | S | S | * | * | S | Bend | cis | 53.6 | 59.9 | -0.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E2494 | G2492-E2494 PolarHBondContact O-N 2.88Å; G2492-E2494 VanDerWaalsContact O-N 3.14Å |
| 2493 | P | 29.1 | Very low | 27.6 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | trans | -52.7 | 121.3 | 163.3 | -18.2 | 31.9 | 0 | 0 | 0 | 106.5 | ||||
| 2494 | E | 22.3 | Very low | 28.1 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 61% | 0.612 | 69% | 0.69 | S | S | * | * | 62.8 | 104.8 | 86.6 | -71 | 162.4 | -174.8 | 0 | 0 | 109 | N2491 G2492 | N2491-E2494 PolarHBondContact ND2-OE1 3.31Å; G2492-E2494 PolarHBondContact O-N 2.88Å; G2492-E2494 VanDerWaalsContact O-N 3.14Å | |||
| 2495 | V | 23.7 | Very low | 28.6 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | 62.6 | 104.3 | 103.4 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 2496 | S | 25.5 | Very low | 29 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 68% | 0.681 | S | S | * | * | -148.6 | 124.7 | 66.3 | -51.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 2497 | N | 26.4 | Very low | 29.1 | Very low | 132 Ų | 132 | 128 Ų | 128 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | 64.3 | -175.6 | 125.8 | -51.7 | -6.4 | 0 | 0 | 0 | 117.6 | |||||
| 2498 | V | 30.9 | Very low | 29.4 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 70% | 0.697 | 67% | 0.672 | S | S | * | * | trans | 69.9 | 93 | 164.7 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2499 | L | 30.4 | Very low | 29.9 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 71% | 0.712 | 67% | 0.668 | S | S | * | * | 79.6 | 133.7 | 94.5 | -58.6 | -158.5 | 0 | 0 | 0 | 109.3 | |||||
| 2500 | D | 30.7 | Very low | 30.1 | Very low | 107 Ų | 107 | 122.3 Ų | 122.3 | 57% | 0.572 | 66% | 0.66 | S | S | * | * | cis | -169.7 | 171.6 | -3.2 | -110.2 | -10.6 | 0 | 0 | 0 | 108.4 | ||||
| 2501 | D | 31.2 | Very low | 30.4 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | trans | 60.5 | 167.6 | 143.3 | -58.9 | -12.1 | 0 | 0 | 0 | 118.5 | ||||
| 2502 | D | 33 | Very low | 30.8 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 53% | 0.529 | 67% | 0.668 | S | S | . | * | cis | -154.1 | 162.2 | 10.2 | -141.7 | -20.9 | 0 | 0 | 0 | 111.9 | ||||
| 2503 | Y | 36.7 | Very low | 30.4 | Very low | 185 Ų | 185 | 124.4 Ų | 124.4 | 73% | 0.725 | 67% | 0.669 | S | S | * | * | trans | 56.4 | 143.7 | 160 | -57.8 | -51.3 | 0 | 0 | 0 | 121.2 | ||||
| 2504 | D | 35 | Very low | 30.3 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 65% | 0.647 | 67% | 0.669 | S | S | * | * | cis | -168.5 | -179.7 | -32.5 | -119.7 | 7.7 | 0 | 0 | 0 | 108.4 | ||||
| 2505 | D | 34.9 | Very low | 30.6 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 65% | 0.647 | 67% | 0.672 | S | S | * | * | trans | 25.3 | 135.1 | 147.4 | -60.5 | -9.6 | 0 | 0 | 0 | 120.6 | ||||
| 2506 | D | 36.3 | Very low | 30.7 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 68% | 0.684 | 67% | 0.668 | S | S | * | * | cis | -137.2 | 147.9 | 8.1 | -96.4 | -45.8 | 0 | 0 | 0 | 108.7 | ||||
| 2507 | N | 26.9 | Very low | 30.8 | Very low | 125 Ų | 125 | 127 Ų | 127 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | 57.9 | 162.6 | 73.2 | -61.7 | -52.3 | 0 | 0 | 0 | 115.1 | |||||
| 2508 | D | 34.3 | Very low | 30.9 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | trans | 61.7 | 101.7 | 175.6 | -68.7 | 6.4 | 0 | 0 | 0 | 115.8 | ||||
| 2509 | E | 34.2 | Very low | 30.7 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | 82.1 | 150.6 | 78 | -84.8 | -140.4 | -168.7 | 0 | 0 | 112.2 | |||||
| 2510 | S | 32 | Very low | 30.5 | Very low | 69 Ų | 69 | 127.1 Ų | 127.1 | 48% | 0.483 | 66% | 0.663 | S | S | . | * | cis | -159.3 | -179.6 | -25.2 | 54.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 2511 | N | 29 | Very low | 30.2 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 67% | 0.674 | 68% | 0.675 | S | S | * | * | trans | 47.6 | 101 | 150.7 | -61.6 | -43.6 | 0 | 0 | 0 | 117 | ||||
| 2512 | N | 30 | Very low | 30 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 69% | 0.69 | 67% | 0.668 | S | S | * | * | -171.4 | 146.1 | 55.2 | -99.1 | -59.5 | 0 | 0 | 0 | 113.2 | |||||
| 2513 | N | 26.1 | Very low | 29.7 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 68% | 0.679 | 68% | 0.678 | S | S | * | * | 29.4 | 141.4 | 121.9 | -65.1 | -50.6 | 0 | 0 | 0 | 119.6 | |||||
| 2514 | T | 27.7 | Very low | 29.4 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 66% | 0.663 | 67% | 0.67 | S | S | * | * | cis | -166.7 | 143.5 | 27.6 | -7.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2515 | T | 27.4 | Very low | 29.1 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | trans | 44.4 | 167.9 | 136.6 | 59.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2516 | E | 26.9 | Very low | 28.8 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 65% | 0.65 | 67% | 0.671 | S | S | * | * | cis | -157.5 | 174.4 | -27.5 | -101.5 | -178.9 | 128.4 | 0 | 0 | 104 | K2518 | E2516-K2518 IonicContact OE1-NZ 3.82Å; E2516-K2518 PolarHBondContact OE1-NZ 2.82Å; E2516-K2518 VanDerWaalsContact OE1-NZ 3.15Å | ||
| 2517 | E | 26.1 | Very low | 28.3 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 70% | 0.696 | 66% | 0.661 | S | S | * | * | cis | 59.4 | 145 | 49.2 | -122 | -173.7 | -128.2 | 0 | 0 | 116.6 | ||||
| 2518 | K | 30.3 | Very low | 28.5 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 59% | 0.591 | 66% | 0.66 | S | S | * | * | trans | 59.4 | -174.1 | 166.7 | -56.7 | -173.4 | -160.6 | 72.3 | 0 | 116.4 | E2516 | E2516-K2518 IonicContact OE1-NZ 3.82Å; E2516-K2518 PolarHBondContact OE1-NZ 2.82Å; E2516-K2518 VanDerWaalsContact OE1-NZ 3.15Å | ||
| 2519 | D | 25.3 | Very low | 28.6 | Very low | 139 Ų | 139 | 118 Ų | 118 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | -149.8 | 162.3 | -75.2 | -105 | -53.7 | 0 | 0 | 0 | 110.1 | |||||
| 2520 | V | 26 | Very low | 28.4 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 66% | 0.661 | 62% | 0.623 | S | S | * | * | trans | 40.4 | 116.5 | 144.5 | -179.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 2521 | N | 26 | Very low | 28.2 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 81% | 0.807 | 64% | 0.637 | S | S | * | * | trans | 64.9 | 162.3 | 150.5 | -69.5 | -4.1 | 0 | 0 | 0 | 119.2 | ||||
| 2522 | S | 26.1 | Very low | 28.2 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 56% | 0.559 | 64% | 0.639 | S | S | * | * | cis | -163 | 149.6 | -25.5 | 46.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2523 | T | 27.3 | Very low | 28.5 | Very low | 121 Ų | 121 | 117.7 Ų | 117.7 | 74% | 0.742 | 65% | 0.645 | S | S | * | * | trans | 64.7 | 155.1 | 151.2 | 38 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 2524 | M | 29 | Very low | 28.6 | Very low | 116 Ų | 116 | 120 Ų | 120 | 57% | 0.571 | 65% | 0.652 | S | S | * | * | trans | 67.4 | 101.4 | 165.6 | -59.8 | -52.9 | -174.8 | 0 | 0 | 120 | P2149 | P2149-M2524 VanDerWaalsContact CD-SD 3.5Å; P2149-M2524 HydrophobicContact CG-CB 4.36Å; P2149-M2524 HydrophobicContact CG-SD 4.07Å | ||
| 2525 | N | 28.9 | Very low | 29 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 61% | 0.61 | 66% | 0.661 | S | S | * | * | trans | -53.8 | 138.1 | 169.7 | -31.8 | -70.9 | 0 | 0 | 0 | 114.4 | P2149 | P2149-N2525 HydrophobicContact CG-CB 4.03Å; P2149-N2525 WeakPolarHBondContact CG-O 3.41Å | ||
| 2526 | Q | 28.9 | Very low | 28.9 | Very low | 151 Ų | 151 | 122.6 Ų | 122.6 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | trans | -160.9 | 118.8 | 138.5 | -114.7 | 166.7 | 7.3 | 0 | 0 | 113.7 | R2150 | R2150-Q2526 WeakPolarHBondContact O-CG 3.27Å; R2150-Q2526 PolarHBondContact O-NE2 3.3Å | ||
| 2527 | D | 26.6 | Very low | 29.1 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 47% | 0.471 | 67% | 0.671 | S | S | . | * | trans | 50.9 | 156.5 | 138 | -53 | -21.8 | 0 | 0 | 0 | 125.5 | R2151 K2152 | R2151-D2527 WeakPolarHBondContact CA-OD1 3.32Å; R2151-D2527 PolarHBondContact N-OD1 3.29Å; R2151-D2527 PolarHBondContact N-OD2 3.4Å; K2152-D2527 PolarHBondContact N-OD1 3.27Å | ||
| 2528 | I | 29.6 | Very low | 29.4 | Very low | 125 Ų | 125 | 120 Ų | 120 | 64% | 0.641 | 67% | 0.672 | S | S | * | * | trans | -136.6 | 141.8 | -176.4 | -71.6 | 168.6 | 0 | 0 | 0 | 104.4 | ||||
| 2529 | P | 37.9 | Very low | 29.2 | Very low | 22 Ų | 22 | 120.1 Ų | 120.1 | 14% | 0.143 | 68% | 0.68 | C | S | . | * | cis | -147.2 | 167.5 | 23.9 | 31.3 | -5.9 | 0 | 0 | 0 | 119.6 | P2559 R2560 | P2529-P2559 HydrophobicContact CB-CG 4.24Å; P2529-P2559 HydrophobicContact CG-CG 3.99Å; P2529-P2559 WeakPolarHBondContact CG-O 3.42Å; P2529-R2560 HydrophobicContact CG-CG 4.36Å; P2529-R2560 PolarHBondContact O-NH1 2.84Å; P2529-R2560 PolarHBondContact O-NH2 2.83Å | ||
| 2530 | V | 29.4 | Very low | 29.3 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 62% | 0.618 | 69% | 0.686 | S | S | * | * | 52.4 | 125.5 | 128.3 | -178.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 2531 | L | 28.2 | Very low | 29.3 | Very low | 150 Ų | 150 | 123.6 Ų | 123.6 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | trans | 60.7 | 166.3 | 154.8 | -68 | 168.1 | 0 | 0 | 0 | 118.5 | ||||
| 2532 | T | 29.4 | Very low | 29.3 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 71% | 0.712 | 68% | 0.678 | S | S | * | * | cis | -146 | 147.2 | 14.3 | 45.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2533 | S | 34.4 | Very low | 29.3 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | trans | 174.6 | 171.9 | 138.1 | 54.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 2534 | Q | 29.2 | Very low | 29.2 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | -169.9 | 176 | -64.7 | -118.3 | 178.5 | -15.5 | 0 | 0 | 109 | |||||
| 2535 | L | 36.9 | Very low | 29.2 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 85% | 0.848 | 70% | 0.699 | S | S | * | * | trans | 89.4 | 113.6 | -177.5 | -54.2 | 171.3 | 0 | 0 | 0 | 114.1 | ||||
| 2536 | V | 25.5 | Very low | 29.1 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | cis | 90.1 | 103.3 | 26.9 | -176.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2537 | D | 30.4 | Very low | 29.2 | Very low | 162 Ų | 162 | 123.8 Ų | 123.8 | 87% | 0.866 | 70% | 0.703 | S | S | * | * | 179.6 | 165.2 | 110.6 | -107.2 | -41.4 | 0 | 0 | 0 | 111.9 | |||||
| 2538 | G | 31.9 | Very low | 29.5 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 72% | 0.72 | S | S | * | * | trans | 136.3 | 83.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2539 | N | 26.7 | Very low | 29.8 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | -79.5 | 163.7 | 172.5 | -68.4 | -39.6 | 0 | 0 | 0 | 113 | ||||
| 2540 | W | 26.6 | Very low | 30 | Very low | 233 Ų | 233 | 133.2 Ų | 133.2 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | 167.5 | 129.5 | 102.9 | -91.1 | 93.4 | 0 | 0 | 0 | 113.7 | |||||
| 2541 | C | 25.9 | Very low | 30.1 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | trans | 59.2 | 134.1 | 147.8 | -86.5 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 2542 | D | 25.8 | Very low | 30.3 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | 90.8 | 100.2 | 127.7 | -62.7 | 0.7 | 0 | 0 | 0 | 125 | |||||
| 2543 | T | 27.4 | Very low | 30.1 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | trans | 72.1 | 129.1 | 130.8 | 51.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 2544 | S | 25.5 | Very low | 29.8 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | trans | 78.1 | 106.5 | 139 | 54.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 2545 | Q | 27.5 | Very low | 30.4 | Very low | 181 Ų | 181 | 127 Ų | 127 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | 83.3 | 128.1 | 124.7 | -68.7 | -176.1 | -15 | 0 | 0 | 123.2 | |||||
| 2546 | S | 28.1 | Very low | 30.1 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | trans | 62.8 | 137.3 | 149 | 48.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 2547 | S | 30.3 | Very low | 30.3 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 63% | 0.629 | 70% | 0.697 | S | S | * | * | cis | -166.8 | 143.3 | -7.6 | 43.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2548 | E | 32 | Very low | 30.4 | Very low | 176 Ų | 176 | 122.5 Ų | 122.5 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | trans | 64.4 | 148.9 | 147.7 | -69.8 | 156.7 | -136.5 | 0 | 0 | 121.5 | ||||
| 2549 | E | 36.3 | Very low | 30.8 | Very low | 169 Ų | 169 | 121.1 Ų | 121.1 | 79% | 0.79 | 66% | 0.655 | S | S | * | * | cis | -176.5 | 176.6 | -31.7 | -105.5 | -130.9 | 137 | 0 | 0 | 107.6 | ||||
| 2550 | P | 43.1 | Very low | 31.1 | Very low | 89 Ų | 89 | 121.1 Ų | 121.1 | 58% | 0.578 | 65% | 0.645 | S | S | * | * | -138.7 | 156.1 | -53.4 | 39.6 | -22.5 | 0 | 0 | 0 | 117.5 | |||||
| 2551 | S | 30.6 | Very low | 31.4 | Very low | 105 Ų | 105 | 117 Ų | 117 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | trans | 72.3 | 155.4 | 136.2 | -69.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 2552 | I | 31.9 | Very low | 31.6 | Very low | 144 Ų | 144 | 116 Ų | 116 | 74% | 0.738 | 63% | 0.629 | S | S | * | * | cis | -166.4 | 153.9 | -14.1 | -105.2 | 168.2 | 0 | 0 | 0 | 107.8 | ||||
| 2553 | K | 27.1 | Very low | 31.6 | Very low | 149 Ų | 149 | 115.5 Ų | 115.5 | 65% | 0.648 | 63% | 0.63 | S | S | * | * | cis | 101.5 | 151.7 | 11.4 | -68.9 | -174.5 | 169.5 | -176.1 | 0 | 115.4 | D2162 | D2162-K2553 VanDerWaalsContact OD2-CE 3.27Å; D2162-K2553 WeakPolarHBondContact OD2-CE 3.39Å | ||
| 2554 | I | 27.3 | Very low | 31.7 | Very low | 54 Ų | 54 | 116.3 Ų | 116.3 | 28% | 0.277 | 63% | 0.625 | S | S | . | * | cis | -167.6 | 131.2 | 3.3 | -118.8 | 171.1 | 0 | 0 | 0 | 112.3 | R2159 A2160 S2161 | R2159-I2554 HydrophobicContact CB-CG2 4.22Å; R2159-I2554 VanDerWaalsContact CD-CG2 3.4Å; R2159-I2554 HydrophobicContact CG-CG2 3.79Å; R2159-I2554 VanDerWaalsContact NE-CG2 3.32Å; R2159-I2554 PolarHBondContact NE-O 3.47Å; R2159-I2554 VanDerWaalsContact NE-O 3.12Å; A2160-I2554 HydrophobicContact CB-CB 3.77Å; A2160-I2554 HydrophobicContact CB-CD1 4.33Å; A2160-I2554 HydrophobicContact CB-CG1 3.59Å; A2160-I2554 HydrophobicContact CB-CG2 3.51Å; S2161-I2554 WeakPolarHBondContact OG-CD1 3.5Å; S2161-I2554 WeakPolarHBondContact OG-CG1 3.48Å | ||
| 2555 | P | 41.1 | Very low | 31.8 | Very low | 77 Ų | 77 | 116.3 Ų | 116.3 | 50% | 0.5 | 62% | 0.616 | S | S | . | * | trans | -108.9 | 172.5 | -165.2 | 41 | -43.4 | 0 | 0 | 0 | 123.8 | R2159 A2160 | R2159-P2555 CarbonylContact C-O 3.25Å; R2159-P2555 WeakPolarHBondContact CA-O 3.47Å; A2160-P2555 VanDerWaalsContact CA-O 3.24Å; A2160-P2555 WeakPolarHBondContact CA-O 3.45Å; A2160-P2555 HydrophobicContact CB-CG 4.39Å; A2160-P2555 VanDerWaalsContact CB-N 3.33Å; A2160-P2555 VanDerWaalsContact CB-O 3.27Å; A2160-P2555 WeakPolarHBondContact CB-O 3.46Å; A2160-P2555 PolarHBondContact N-O 3.22Å | ||
| 2556 | V | 31.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 112.5 Ų | 112.5 | 72% | 0.721 | 60% | 0.601 | S | S | * | * | trans | 75.2 | 141.9 | 157.6 | 170 | 0 | 0 | 0 | 0 | 124.9 | G2158 R2159 | G2158-V2556 CarbonylContact C-O 3.56Å; G2158-V2556 VanDerWaalsContact C-O 3.29Å; G2158-V2556 WeakPolarHBondContact CA-O 3.49Å; G2158-V2556 PolarHBondContact N-O 2.73Å; R2159-V2556 WeakPolarHBondContact CA-O 3.31Å; R2159-V2556 PolarHBondContact N-O 2.99Å | ||
| 2557 | R | 29.7 | Very low | 31.7 | Very low | 160 Ų | 160 | 115.9 Ų | 115.9 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | trans | 177.9 | 174.6 | 132.4 | -63.7 | -174.5 | 178.4 | 147.5 | -13 | 116.4 | L2156 R2157 G2158 | L2156-R2557 CarbonylContact C-O 3.57Å; R2157-R2557 WeakPolarHBondContact CA-O 3.26Å; R2157-R2557 VanDerWaalsContact N-C 3.34Å; R2157-R2557 PolarHBondContact N-O 3.11Å; G2158-R2557 VanDerWaalsContact C-CG 3.45Å; G2158-R2557 WeakPolarHBondContact O-CD 3.5Å; G2158-R2557 WeakPolarHBondContact O-CG 3.22Å; G2158-R2557 PolarHBondContact O-NE 3.01Å; G2158-R2557 PolarHBondContact O-NH1 2.69Å | ||
| 2558 | S | 31.6 | Very low | 32 | Very low | 63 Ų | 63 | 116.8 Ų | 116.8 | 44% | 0.441 | 61% | 0.609 | S | S | . | * | trans | 79.4 | 147.7 | 135 | -64.6 | 0 | 0 | 0 | 0 | 129.1 | R2155 L2156 | R2155-S2558 CarbonylContact C-O 3.56Å; R2155-S2558 WeakPolarHBondContact CA-O 3.3Å; L2156-S2558 VanDerWaalsContact C-CB 3.5Å; L2156-S2558 WeakPolarHBondContact CA-O 3.3Å; L2156-S2558 PolarHBondContact N-O 3.29Å | ||
| 2559 | P | 40 | Very low | 32.2 | Very low | 41 Ų | 41 | 114.1 Ų | 114.1 | 27% | 0.266 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -146.2 | 138.5 | 172 | 31.3 | -6.2 | 0 | 0 | 0 | 124 | Y2154 R2155 P2529 | Y2154-P2559 VanDerWaalsContact C-CA 3.46Å; Y2154-P2559 HydrophobicContact CD1-CB 4.36Å; R2155-P2559 VanDerWaalsContact N-CA 3.3Å; R2155-P2559 CarbonylContact O-C 3.59Å; R2155-P2559 WeakPolarHBondContact O-CA 3.33Å; P2529-P2559 HydrophobicContact CB-CG 4.24Å; P2529-P2559 HydrophobicContact CG-CG 3.99Å; P2529-P2559 WeakPolarHBondContact CG-O 3.42Å |
| 2560 | R | 32.8 | Very low | 31.8 | Very low | 140 Ų | 140 | 112 Ų | 112 | 53% | 0.528 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -171.9 | 147 | 151.6 | -118.5 | 175.9 | -179.5 | 133.1 | 12.7 | 121.5 | A2153 Y2154 R2155 P2529 | A2153-R2560 CarbonylContact O-C 3.06Å; Y2154-R2560 CarbonylContact O-C 3.55Å; Y2154-R2560 VanDerWaalsContact O-C 3.26Å; Y2154-R2560 WeakPolarHBondContact O-CA 3.43Å; Y2154-R2560 PolarHBondContact O-N 3.28Å; R2155-R2560 PolarHBondContact O-N 3.29Å; P2529-R2560 HydrophobicContact CG-CG 4.36Å; P2529-R2560 PolarHBondContact O-NH1 2.84Å; P2529-R2560 PolarHBondContact O-NH2 2.83Å |
| 2561 | E | 34.5 | Very low | 31.2 | Very low | 146 Ų | 146 | 115 Ų | 115 | 68% | 0.682 | 61% | 0.614 | S | S | * | * | trans | 81.5 | 168.7 | 141.6 | -91.6 | 161.9 | -122.6 | 0 | 0 | 129 | A2153 | A2153-E2561 PolarHBondContact O-N 3.06Š| ||
| 2562 | S | 28.6 | Very low | 31.1 | Very low | 69 Ų | 69 | 116.2 Ų | 116.2 | 48% | 0.483 | 61% | 0.612 | S | S | . | * | trans | 180 | 149.6 | -174.8 | 62.5 | 0 | 0 | 0 | 0 | 117.7 | K2152 | K2152-S2562 PolarHBondContact NZ-OG 3.4Š| ||
| 2563 | V | 27.6 | Very low | 30.9 | Very low | 119 Ų | 119 | 113 Ų | 113 | 72% | 0.721 | 61% | 0.607 | S | S | * | * | trans | 134.8 | 118.3 | 142.9 | 167.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 2564 | H | 28.7 | Very low | 30.8 | Very low | 142 Ų | 142 | 115.8 Ų | 115.8 | 66% | 0.657 | 62% | 0.615 | S | S | * | * | trans | 49.6 | 148.4 | 146.1 | -71.2 | -35.2 | 0 | 0 | 0 | 124.8 | Q1838 | Q1838-H2564 PolarHBondContact NE2-O 3.35Š| ||
| 2565 | M | 26.8 | Very low | 30.6 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 49% | 0.493 | 64% | 0.637 | S | S | . | * | cis | -152.8 | -160.2 | -11.1 | -79.5 | -115.2 | -82.3 | 0 | 0 | 108.3 | Q1838 | Q1838-M2565 HydrophobicContact CG-CB 3.92Å; Q1838-M2565 HydrophobicContact CG-CG 4.21Å; Q1838-M2565 VanDerWaalsContact OE1-N 3.09Å | ||
| 2566 | D | 26.8 | Very low | 30.2 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 54% | 0.54 | 65% | 0.648 | S | S | . | * | cis | -135.1 | -137.8 | 3.8 | -111 | -57 | 0 | 0 | 0 | 110.4 | ||||
| 2567 | E | 28 | Very low | 30.4 | Very low | 180 Ų | 180 | 125.5 Ų | 125.5 | 84% | 0.841 | 65% | 0.654 | S | S | * | * | cis | -153.2 | 161.6 | 11.7 | -73.7 | 178.9 | 81.6 | 0 | 0 | 111.5 | ||||
| 2568 | P | 35.7 | Very low | 30.4 | Very low | 110 Ų | 110 | 122.4 Ų | 122.4 | 71% | 0.714 | 65% | 0.654 | S | S | * | * | trans | -77 | 173.6 | 176.4 | 32.5 | -37.4 | 0 | 0 | 0 | 114.3 | ||||
| 2569 | P | 36.9 | Very low | 30.2 | Very low | 120 Ų | 120 | 126 Ų | 126 | 78% | 0.779 | 67% | 0.669 | S | S | * | * | cis | -121.5 | -179.6 | 24.1 | 36.2 | -17.3 | 0 | 0 | 0 | 115.4 | ||||
| 2570 | V | 28.3 | Very low | 29.5 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | cis | 104.5 | 149.8 | 7.2 | -176.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2571 | I | 30.3 | Very low | 29 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 78% | 0.779 | 70% | 0.699 | S | S | * | * | trans | 86.7 | 131.3 | -175.4 | -55.4 | 176.7 | 0 | 0 | 0 | 113.4 | ||||
| 2572 | D | 28.4 | Very low | 28.4 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | cis | -153.3 | -178.1 | -19 | -112.7 | 19.2 | 0 | 0 | 0 | 108.3 | ||||
| 2573 | A | 26.7 | Very low | 28.1 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 63% | 0.628 | 70% | 0.703 | S | S | * | * | cis | 75.3 | 149.2 | 38.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2574 | Y | 24.8 | Very low | 28 | Very low | 209 Ų | 209 | 133.3 Ų | 133.3 | 82% | 0.82 | 70% | 0.702 | S | S | * | * | cis | -146 | 179.9 | 10.5 | -124.7 | -79.5 | 0 | 0 | 0 | 112.1 | ||||
| 2575 | E | 24.7 | Very low | 28 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | trans | 81.9 | 157.9 | 148.5 | -85.5 | 177.5 | 161.3 | 0 | 0 | 125.4 | ||||
| 2576 | H | 31.1 | Very low | 27.9 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 73% | 0.731 | 72% | 0.72 | S | S | * | * | trans | 56.4 | 106.9 | 164.4 | -63.9 | -36.4 | 0 | 0 | 0 | 124.6 | ||||
| 2577 | V | 35.5 | Very low | 27.8 | Very low | 140 Ų | 140 | 136 Ų | 136 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | -86.5 | 133.6 | 129.9 | 170.5 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 2578 | P | 31.2 | Very low | 27.9 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 62% | 0.617 | 73% | 0.726 | S | S | * | * | -151.5 | -162.8 | 83.3 | 43.5 | -23.7 | 0 | 0 | 0 | 115.1 | |||||
| 2579 | N | 27.8 | Very low | 27.4 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | 72.3 | 111.5 | 177.4 | -62.6 | -10.9 | 0 | 0 | 0 | 113.3 | ||||
| 2580 | N | 23.5 | Very low | 27 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | cis | 62.2 | 141.4 | 26.6 | -156.6 | 36 | 0 | 0 | 0 | 113 | ||||
| 2581 | Y | 23.1 | Very low | 26.9 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | 69.6 | 127.3 | -163 | -62.5 | -86 | 0 | 0 | 0 | 114.4 | ||||
| 2582 | T | 22.4 | Very low | 26.7 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 59% | 0.589 | 72% | 0.719 | S | S | * | * | cis | -170.6 | -175.6 | -24.2 | 11 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 2583 | N | 22.5 | Very low | 27.1 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | 6.8 | 144.8 | 126.5 | -33.9 | -2.2 | 0 | 0 | 0 | 117.1 | |||||
| 2584 | D | 25.5 | Very low | 27.4 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | cis | -143.8 | 166.5 | 40.9 | -104.8 | -57 | 0 | 0 | 0 | 117.5 | ||||
| 2585 | E | 27.3 | Very low | 27.5 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | 63.8 | 109.7 | 151.6 | -73.8 | 169.6 | -172.8 | 0 | 0 | 120.2 | ||||
| 2586 | D | 25.3 | Very low | 27.4 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | 66.4 | 107.3 | 118.1 | -66.6 | 6.8 | 0 | 0 | 0 | 121.5 | |||||
| 2587 | A | 25.8 | Very low | 27 | Very low | 94 Ų | 94 | 127 Ų | 127 | 78% | 0.777 | 71% | 0.708 | S | S | * | * | 75.8 | 162.4 | 124 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 2588 | V | 29.8 | Very low | 26.4 | Very low | 121 Ų | 121 | 127 Ų | 127 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | cis | -124.9 | 135.9 | 12.9 | 165.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2589 | E | 24.8 | Very low | 26 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 78% | 0.78 | 70% | 0.704 | S | S | * | * | 24 | 164.4 | 129.7 | -121.9 | -163.7 | 164 | 0 | 0 | 122.4 | |||||
| 2590 | V | 27.4 | Very low | 25.8 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 61% | 0.606 | 70% | 0.704 | S | S | * | * | trans | 65.3 | 83.7 | 147.2 | 174.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2591 | S | 28.1 | Very low | 26.2 | Very low | 92 Ų | 92 | 127 Ų | 127 | 64% | 0.643 | 70% | 0.703 | S | S | * | * | 72.3 | 176.8 | 127.6 | 81.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 2592 | K | 25.5 | Very low | 26.4 | Very low | 193 Ų | 193 | 125.3 Ų | 125.3 | 84% | 0.839 | 71% | 0.706 | S | S | * | * | trans | 66.8 | 157.7 | 175.2 | -58.6 | 165.4 | -173.9 | 174 | 0 | 115.1 | ||||
| 2593 | G | 36.9 | Very low | 26.8 | Very low | 47 Ų | 47 | 127 Ų | 127 | 49% | 0.485 | 71% | 0.711 | S | S | . | * | trans | -82.9 | -160.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T2595 | G2593-T2595 WeakPolarHBondContact CA-OG1 3.33Š| ||
| 2594 | P | 33.3 | Very low | 27.4 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | -75.4 | 130.3 | 70.6 | -31.1 | 39.1 | 0 | 0 | 0 | 112.5 | |||||
| 2595 | T | 25.3 | Very low | 27.4 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 60% | 0.595 | 71% | 0.711 | S | S | * | * | cis | 56.2 | 80.9 | 23.4 | -13.9 | 0 | 0 | 0 | 0 | 110.6 | G2593 | G2593-T2595 WeakPolarHBondContact CA-OG1 3.33Š| ||
| 2596 | E | 23.9 | Very low | 27.4 | Very low | 166 Ų | 166 | 123.9 Ų | 123.9 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | 91.5 | 178.6 | 110.7 | -165.4 | 172.6 | -125.5 | 0 | 0 | 109.5 | |||||
| 2597 | V | 22.6 | Very low | 27.6 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 66% | 0.655 | 71% | 0.708 | S | S | * | * | trans | 67.3 | 103.9 | 168.1 | -174.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2598 | L | 21.5 | Very low | 27.9 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | 62.3 | 127.6 | 81.8 | -64.8 | 164 | 0 | 0 | 0 | 110.9 | |||||
| 2599 | L | 23.1 | Very low | 27.9 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 64% | 0.644 | 70% | 0.7 | S | S | * | * | cis | -152.2 | -160.3 | 14 | -102 | 151.8 | 0 | 0 | 0 | 110.3 | ||||
| 2600 | E | 23.7 | Very low | 28.1 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | trans | -4.8 | 151.6 | 139 | -58.9 | 141.4 | 174.7 | 0 | 0 | 116.9 | ||||
| 2601 | A | 31.5 | Very low | 28.2 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 65% | 0.653 | 71% | 0.709 | S | S | * | * | cis | -152.2 | 149.1 | 36.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2602 | L | 28.2 | Very low | 28.5 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 80% | 0.801 | 74% | 0.735 | S | S | * | * | 57.7 | 127.5 | 99.6 | -58.4 | 177.7 | 0 | 0 | 0 | 114.6 | |||||
| 2603 | D | 30.3 | Very low | 28.7 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | cis | -163.9 | -179.2 | -6.7 | -147.7 | 24.8 | 0 | 0 | 0 | 107.4 | ||||
| 2604 | V | 35 | Very low | 28.2 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 67% | 0.667 | 74% | 0.743 | S | S | * | * | cis | -146.3 | 156.2 | 15.1 | -163.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2605 | M | 25.3 | Very low | 27.9 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | 69.4 | 164.7 | 172.2 | -36.9 | -165 | -47.2 | 0 | 0 | 114.8 | ||||
| 2606 | S | 28.8 | Very low | 28.1 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | cis | -145.3 | 173.7 | -5.2 | 0.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2607 | S | 29.3 | Very low | 28.4 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -83.1 | 146.8 | -177.7 | 54 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2608 | E | 31.4 | Very low | 28.8 | Very low | 168 Ų | 168 | 143 Ų | 143 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | -174.6 | 151.8 | 120.5 | -108.6 | -161.4 | -177.9 | 0 | 0 | 116.6 | |||||
| 2609 | N | 30.5 | Very low | 29.3 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 56% | 0.561 | 75% | 0.749 | S | S | * | * | trans | 47.8 | 128.3 | 143.5 | -74.9 | -39.1 | 0 | 0 | 0 | 125.5 | ||||
| 2610 | H | 29.3 | Very low | 29.7 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | 52.7 | 138.1 | 143.7 | -68.2 | -68 | 0 | 0 | 0 | 120.7 | ||||
| 2611 | F | 27.8 | Very low | 30.2 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | cis | -139.4 | 119.7 | 29.1 | -98.7 | -95.8 | 0 | 0 | 0 | 113.3 | ||||
| 2612 | K | 35.6 | Very low | 30.1 | Very low | 275 Ų | 275 | 149.4 Ų | 149.4 | 100% | 1.196 | 77% | 0.768 | S | S | * | * | -165.6 | 0 | 125.1 | -117.7 | 177.9 | -179.4 | 178.7 | 0 | 112.6 |
Retrieved 2,612 of 2,612 residues in 2483.9 ms
(Link to these results)