| 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 | 45 | Very low | 80.8 | Confident | 188 Ų | 188 | 102.9 Ų | 102.9 | 93% | 0.926 | 54% | 0.54 | S | S | * | . | 0 | 92 | 0 | -81.3 | -61.1 | -169.9 | 0 | 0 | 104 | T3 | M1-T3 PolarHBondContact O-N 3.36Š| |||
| 2 | D | 52.9 | Low | 81.8 | Confident | 154 Ų | 154 | 99.8 Ų | 99.8 | 82% | 0.824 | 52% | 0.524 | S | S | * | . | trans | -81.9 | 113.8 | -170.8 | -49 | -34.5 | 0 | 0 | 0 | 105.4 | ||||
| 3 | T | 62.8 | Low | 82.5 | Confident | 39 Ų | 39 | 95.2 Ų | 95.2 | 24% | 0.239 | 52% | 0.517 | C | S | . | . | trans | -98.5 | 96 | -178.5 | 43.1 | 0 | 0 | 0 | 0 | 106.9 | M1 G5 N19 W20 Y21 | M1-T3 PolarHBondContact O-N 3.36Å; T3-G5 PolarHBondContact O-N 3.48Å; T3-N19 PolarHBondContact O-ND2 3Å; T3-N19 PolarHBondContact OG1-ND2 3.42Å; T3-W20 WeakPolarHBondContact CA-O 3.49Å; T3-W20 WeakPolarHBondContact CB-O 3.21Å; T3-W20 WeakPolarHBondContact CG2-O 3.47Å; T3-Y21 HydrophobicContact CG2-CD2 4.38Å | ||
| 4 | D | 79.5 | Confident | 83.3 | Confident | 131 Ų | 131 | 88.4 Ų | 88.4 | 70% | 0.701 | 48% | 0.48 | S | S | * | . | trans | -50.8 | 129.9 | -179.2 | -67.4 | -44.6 | 0 | 0 | 0 | 109.8 | W20 | D4-W20 PolarHBondContact O-N 3.49Š| ||
| 5 | G | 88.4 | Confident | 84.1 | Confident | 38 Ų | 38 | 83.3 Ų | 83.3 | 39% | 0.392 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 139 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T3 G18 | T3-G5 PolarHBondContact O-N 3.48Å; G5-G18 WeakPolarHBondContact CA-O 3.42Å |
| 6 | G | 91.6 | Very high | 84.8 | Confident | 22 Ų | 22 | 78.3 Ų | 78.3 | 23% | 0.227 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 160.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | G18 W20 | G6-G18 PolarHBondContact N-O 2.98Å; G6-G18 PolarHBondContact O-N 3.3Å; G6-G18 VanDerWaalsContact O-N 3.12Å; G6-W20 PolarHBondContact O-NE1 2.86Å |
| 7 | R | 93.9 | Very high | 85.5 | Confident | 111 Ų | 111 | 73.7 Ų | 73.7 | 42% | 0.419 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 143.7 | 175.2 | 173.1 | 176.8 | 173.5 | 162.2 | 9 | 110.4 | D9 T15 Y16 I17 E486 | R7-D9 IonicContact CZ-OD1 2.97Å; R7-D9 IonicContact CZ-OD2 3.35Å; R7-D9 IonicContact NE-OD1 2.75Å; R7-D9 PolarHBondContact NE-OD1 2.94Å; R7-D9 VanDerWaalsContact NE-OD1 3.14Å; R7-D9 IonicContact NE-OD2 3.07Å; R7-D9 PolarHBondContact NE-OD2 2.98Å; R7-D9 IonicContact NH2-OD1 2.7Å; R7-D9 PolarHBondContact NH2-OD1 3.09Å; R7-D9 IonicContact NH2-OD2 4Å; R7-D9 PolarHBondContact NH2-OD2 3.16Å; R7-T15 HydrophobicContact CG-CG2 3.95Å; R7-Y16 CarbonylContact C-O 3.54Å; R7-Y16 WeakPolarHBondContact CA-O 3.48Å; R7-I17 HydrophobicContact CB-CG1 4.26Å; R7-I17 HydrophobicContact CG-CD1 4.36Å; R7-I17 HydrophobicContact CG-CG1 4.13Å; R7-E486 WeakPolarHBondContact CD-OE1 3.32Å; R7-E486 IonicContact CZ-OE1 2.71Å; R7-E486 IonicContact NE-OE1 3.72Å; R7-E486 IonicContact NH1-OE1 3.52Å; R7-E486 PolarHBondContact NH1-OE1 2.89Å |
| 8 | F | 93.9 | Very high | 86.1 | Confident | 101 Ų | 101 | 69.6 Ų | 69.6 | 44% | 0.443 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 122.9 | 169 | 179.1 | -87.4 | 0 | 0 | 0 | 109 | F10 T15 Y16 W20 | F8-F10 HydrophobicContact CD1-CD1 4.06Å; F8-F10 HydrophobicContact CD1-CD2 4.24Å; F8-F10 HydrophobicContact CD1-CE1 4.05Å; F8-F10 HydrophobicContact CD1-CE2 4.26Å; F8-F10 HydrophobicContact CD1-CG 4.15Å; F8-F10 HydrophobicContact CD1-CZ 4.16Å; F8-F10 AromaticContact CE1-CD1 3.62Å; F8-F10 HydrophobicContact CE1-CD1 3.62Å; F8-F10 AromaticContact CE1-CE1 3.85Å; F8-F10 HydrophobicContact CE1-CE1 3.85Å; F8-F10 AromaticContact CE1-CG 3.98Å; F8-F10 HydrophobicContact CE1-CG 3.98Å; F8-F10 HydrophobicContact CE1-CZ 4.42Å; F8-T15 WeakPolarHBondContact O-CA 3.43Å; F8-Y16 PolarHBondContact N-O 3.18Å; F8-Y16 PolarHBondContact O-N 3.18Å; F8-W20 HydrophobicContact CB-CH2 3.72Å; F8-W20 HydrophobicContact CB-CZ2 3.55Å; F8-W20 HydrophobicContact CD2-CH2 4.4Å; F8-W20 HydrophobicContact CG-CH2 4.12Å; F8-W20 HydrophobicContact CG-CZ2 4.43Å |
| 9 | D | 94.4 | Very high | 86.5 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 129.1 | 174.6 | -62.3 | -73.5 | 0 | 0 | 0 | 109.5 | R7 T15 | R7-D9 IonicContact CZ-OD1 2.97Å; R7-D9 IonicContact CZ-OD2 3.35Å; R7-D9 IonicContact NE-OD1 2.75Å; R7-D9 PolarHBondContact NE-OD1 2.94Å; R7-D9 VanDerWaalsContact NE-OD1 3.14Å; R7-D9 IonicContact NE-OD2 3.07Å; R7-D9 PolarHBondContact NE-OD2 2.98Å; R7-D9 IonicContact NH2-OD1 2.7Å; R7-D9 PolarHBondContact NH2-OD1 3.09Å; R7-D9 IonicContact NH2-OD2 4Å; R7-D9 PolarHBondContact NH2-OD2 3.16Å; D9-T15 WeakPolarHBondContact OD1-CB 3.1Å; D9-T15 WeakPolarHBondContact OD1-CG2 3.4Å; D9-T15 PolarHBondContact OD1-OG1 3.27Å |
| 10 | F | 92.3 | Very high | 86.9 | Confident | 89 Ų | 89 | 67.2 Ų | 67.2 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | trans | -83.5 | 152.5 | -179.7 | -65 | -90.8 | 0 | 0 | 0 | 110.8 | F8 D12 G13 G14 | F8-F10 HydrophobicContact CD1-CD1 4.06Å; F8-F10 HydrophobicContact CD1-CD2 4.24Å; F8-F10 HydrophobicContact CD1-CE1 4.05Å; F8-F10 HydrophobicContact CD1-CE2 4.26Å; F8-F10 HydrophobicContact CD1-CG 4.15Å; F8-F10 HydrophobicContact CD1-CZ 4.16Å; F8-F10 AromaticContact CE1-CD1 3.62Å; F8-F10 HydrophobicContact CE1-CD1 3.62Å; F8-F10 AromaticContact CE1-CE1 3.85Å; F8-F10 HydrophobicContact CE1-CE1 3.85Å; F8-F10 AromaticContact CE1-CG 3.98Å; F8-F10 HydrophobicContact CE1-CG 3.98Å; F8-F10 HydrophobicContact CE1-CZ 4.42Å; F10-D12 WeakPolarHBondContact CB-OD1 3.29Å; F10-D12 PolarHBondContact O-N 3.26Å; F10-G13 PolarHBondContact O-N 2.87Å; F10-G14 PolarHBondContact N-O 3.36Å | ||
| 11 | N | 94.4 | Very high | 87.2 | Confident | 182 Ų | 182 | 67.6 Ų | 67.6 | 97% | 0.973 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.6 | -177.8 | -69.8 | -12.4 | 0 | 0 | 0 | 114.4 | ||
| 12 | D | 92.6 | Very high | 89.3 | Confident | 65 Ų | 65 | 66 Ų | 66 | 35% | 0.348 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 1.7 | 177.4 | 65 | -2.4 | 0 | 0 | 0 | 113.2 | F10 G14 P34 N35 | F10-D12 WeakPolarHBondContact CB-OD1 3.29Å; F10-D12 PolarHBondContact O-N 3.26Å; D12-G14 PolarHBondContact OD1-N 3.15Å; D12-P34 HydrophobicContact CB-CB 4.17Å; D12-P34 WeakPolarHBondContact OD2-CG 3.49Å; D12-N35 PolarHBondContact O-N 3.14Å |
| 13 | G | 90.5 | Very high | 91 | Very high | 41 Ų | 41 | 62 Ų | 62 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 85.2 | 7.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F10 N35 G36 | F10-G13 PolarHBondContact O-N 2.87Å; G13-N35 CarbonylContact O-C 3.28Å; G13-G36 PolarHBondContact O-N 3.37Å; G13-G36 VanDerWaalsContact O-N 3.08Å |
| 14 | G | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -73.1 | 164.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F10 D12 G33 | F10-G14 PolarHBondContact N-O 3.36Å; D12-G14 PolarHBondContact OD1-N 3.15Å; G14-G33 VanDerWaalsContact CA-O 3.25Å; G14-G33 WeakPolarHBondContact CA-O 3.32Å | ||
| 15 | T | 95.2 | Very high | 93 | Very high | 11 Ų | 11 | 56.4 Ų | 56.4 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 133.2 | 176.6 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | R7 F8 D9 I17 A31 T32 F489 | R7-T15 HydrophobicContact CG-CG2 3.95Å; F8-T15 WeakPolarHBondContact O-CA 3.43Å; D9-T15 WeakPolarHBondContact OD1-CB 3.1Å; D9-T15 WeakPolarHBondContact OD1-CG2 3.4Å; D9-T15 PolarHBondContact OD1-OG1 3.27Å; T15-I17 HydrophobicContact CG2-CD1 4.23Å; T15-I17 HydrophobicContact CG2-CG1 3.81Å; T15-A31 CarbonylContact O-C 3.5Å; T15-A31 WeakPolarHBondContact O-CA 3.03Å; T15-T32 PolarHBondContact N-OG1 2.7Å; T15-T32 PolarHBondContact O-N 2.94Å; T15-T32 PolarHBondContact O-OG1 2.76Å; T15-F489 HydrophobicContact CG2-CD2 4.37Å; T15-F489 HydrophobicContact CG2-CE2 3.8Å; T15-F489 HydrophobicContact CG2-CZ 4.41Å |
| 16 | Y | 95.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 134.8 | 163.4 | 176.6 | -96.4 | 0 | 0 | 0 | 110.7 | R7 F8 N19 W20 A25 L30 A31 W44 | R7-Y16 CarbonylContact C-O 3.54Å; R7-Y16 WeakPolarHBondContact CA-O 3.48Å; F8-Y16 PolarHBondContact N-O 3.18Å; F8-Y16 PolarHBondContact O-N 3.18Å; Y16-N19 PolarHBondContact OH-O 2.91Å; Y16-N19 VanDerWaalsContact OH-O 3.05Å; Y16-W20 AromaticContact CD1-CE2 3.88Å; Y16-W20 HydrophobicContact CD1-CH2 4.17Å; Y16-W20 AromaticContact CD1-CZ2 3.47Å; Y16-W20 HydrophobicContact CD1-CZ2 3.47Å; Y16-W20 VanDerWaalsContact CD1-CZ2 3.47Å; Y16-W20 HydrophobicContact CE1-CD2 4.44Å; Y16-W20 AromaticContact CE1-CE2 3.74Å; Y16-W20 AromaticContact CE1-CZ2 3.81Å; Y16-W20 HydrophobicContact CE1-CZ2 3.81Å; Y16-W20 AromaticContact CE1-NE1 3.78Å; Y16-A25 HydrophobicContact CD2-CB 4.37Å; Y16-A25 HydrophobicContact CE1-CB 4.01Å; Y16-A25 HydrophobicContact CE2-CB 3.71Å; Y16-A25 VanDerWaalsContact CZ-CB 3.48Å; Y16-L30 CarbonylContact C-O 3.55Å; Y16-L30 WeakPolarHBondContact CA-O 3.34Å; Y16-L30 WeakPolarHBondContact CD2-O 3.48Å; Y16-A31 HydrophobicContact CD2-CB 4.18Å; Y16-W44 HydrophobicContact CD2-CZ2 4.1Å; Y16-W44 HydrophobicContact CE2-CD2 4.04Å; Y16-W44 AromaticContact CE2-CE2 3.65Å; Y16-W44 HydrophobicContact CE2-CG 4.32Å; Y16-W44 AromaticContact CE2-CZ2 3.97Å; Y16-W44 HydrophobicContact CE2-CZ2 3.97Å; Y16-W44 AromaticContact CE2-NE1 3.72Å |
| 17 | I | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 118.3 | 168.6 | -48.5 | -169.5 | 0 | 0 | 0 | 108.3 | R7 T15 G29 L30 A482 L485 E486 F489 | R7-I17 HydrophobicContact CB-CG1 4.26Å; R7-I17 HydrophobicContact CG-CD1 4.36Å; R7-I17 HydrophobicContact CG-CG1 4.13Å; T15-I17 HydrophobicContact CG2-CD1 4.23Å; T15-I17 HydrophobicContact CG2-CG1 3.81Å; I17-G29 WeakPolarHBondContact O-CA 3.34Å; I17-L30 PolarHBondContact N-O 2.81Å; I17-L30 PolarHBondContact O-N 3.32Å; I17-A482 HydrophobicContact CB-CB 4.13Å; I17-A482 HydrophobicContact CG2-CB 4.07Å; I17-L485 HydrophobicContact CG2-CB 3.98Å; I17-L485 HydrophobicContact CG2-CD1 4.09Å; I17-E486 HydrophobicContact CD1-CB 3.82Å; I17-E486 HydrophobicContact CD1-CG 4.09Å; I17-F489 HydrophobicContact CD1-CB 3.69Å; I17-F489 HydrophobicContact CD1-CD1 3.74Å; I17-F489 HydrophobicContact CD1-CD2 3.63Å; I17-F489 HydrophobicContact CD1-CE1 4.25Å; I17-F489 HydrophobicContact CD1-CE2 4.15Å; I17-F489 HydrophobicContact CD1-CG 3.4Å; I17-F489 HydrophobicContact CD1-CZ 4.43Å |
| 18 | G | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.6 | -171.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G5 G6 W20 L28 | G5-G18 WeakPolarHBondContact CA-O 3.42Å; G6-G18 PolarHBondContact N-O 2.98Å; G6-G18 PolarHBondContact O-N 3.3Å; G6-G18 VanDerWaalsContact O-N 3.12Å; G18-W20 VanDerWaalsContact O-CD1 3.27Å; G18-W20 PolarHBondContact O-NE1 3.41Å; G18-L28 CarbonylContact C-O 3.58Å; G18-L28 VanDerWaalsContact CA-O 3.27Å; G18-L28 WeakPolarHBondContact CA-O 3.41Å |
| 19 | N | 95.2 | Very high | 93.7 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 13% | 0.134 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 145.3 | 173 | -69.9 | 119.5 | 0 | 0 | 0 | 111.6 | T3 Y16 H26 L28 L481 | T3-N19 PolarHBondContact O-ND2 3Å; T3-N19 PolarHBondContact OG1-ND2 3.42Å; Y16-N19 PolarHBondContact OH-O 2.91Å; Y16-N19 VanDerWaalsContact OH-O 3.05Å; N19-H26 CarbonylContact C-O 3.56Å; N19-H26 VanDerWaalsContact C-O 3.28Å; N19-H26 WeakPolarHBondContact CB-O 3.33Å; N19-H26 PolarHBondContact O-N 3.48Å; N19-H26 VanDerWaalsContact O-N 3.12Å; N19-L28 PolarHBondContact N-O 3.29Å; N19-L28 PolarHBondContact OD1-N 2.81Å; N19-L28 PolarHBondContact OD1-O 3.08Å; N19-L481 WeakPolarHBondContact OD1-CD1 3.27Å |
| 20 | W | 94.2 | Very high | 93.9 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 144.4 | 179.5 | -66.4 | 82.1 | 0 | 0 | 0 | 112.5 | T3 D4 G6 F8 Y16 G18 | T3-W20 WeakPolarHBondContact CA-O 3.49Å; T3-W20 WeakPolarHBondContact CB-O 3.21Å; T3-W20 WeakPolarHBondContact CG2-O 3.47Å; D4-W20 PolarHBondContact O-N 3.49Å; G6-W20 PolarHBondContact O-NE1 2.86Å; F8-W20 HydrophobicContact CB-CH2 3.72Å; F8-W20 HydrophobicContact CB-CZ2 3.55Å; F8-W20 HydrophobicContact CD2-CH2 4.4Å; F8-W20 HydrophobicContact CG-CH2 4.12Å; F8-W20 HydrophobicContact CG-CZ2 4.43Å; Y16-W20 AromaticContact CD1-CE2 3.88Å; Y16-W20 HydrophobicContact CD1-CH2 4.17Å; Y16-W20 AromaticContact CD1-CZ2 3.47Å; Y16-W20 HydrophobicContact CD1-CZ2 3.47Å; Y16-W20 VanDerWaalsContact CD1-CZ2 3.47Å; Y16-W20 HydrophobicContact CE1-CD2 4.44Å; Y16-W20 AromaticContact CE1-CE2 3.74Å; Y16-W20 AromaticContact CE1-CZ2 3.81Å; Y16-W20 HydrophobicContact CE1-CZ2 3.81Å; Y16-W20 AromaticContact CE1-NE1 3.78Å; G18-W20 VanDerWaalsContact O-CD1 3.27Å; G18-W20 PolarHBondContact O-NE1 3.41Å |
| 21 | Y | 92.7 | Very high | 94 | Very high | 76 Ų | 76 | 41.5 Ų | 41.5 | 30% | 0.298 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 123.9 | 168.9 | -172.2 | -102.7 | 0 | 0 | 0 | 110.4 | T3 G23 S24 L46 | T3-Y21 HydrophobicContact CG2-CD2 4.38Å; Y21-G23 PolarHBondContact O-N 2.85Å; Y21-S24 PolarHBondContact N-O 2.76Å; Y21-S24 PolarHBondContact O-N 3.05Å; Y21-L46 HydrophobicContact CD1-CD2 4.1Å |
| 22 | Q | 89.2 | Confident | 94 | Very high | 156 Ų | 156 | 33.4 Ų | 33.4 | 73% | 0.729 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 39.7 | 179 | -63.3 | -179.3 | -11.7 | 0 | 0 | 113.9 | S24 | Q22-S24 VanDerWaalsContact C-N 3.26Å; Q22-S24 PolarHBondContact O-N 3.01Å |
| 23 | G | 87.3 | Confident | 93.9 | Very high | 68 Ų | 68 | 30.9 Ų | 30.9 | 70% | 0.701 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 10.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | Y21 | Y21-G23 PolarHBondContact O-N 2.85Š|
| 24 | S | 92.2 | Very high | 93.9 | Very high | 42 Ų | 42 | 31.9 Ų | 31.9 | 29% | 0.294 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 149.4 | 176.3 | -56 | 0 | 0 | 0 | 0 | 111.2 | Y21 Q22 H26 | Y21-S24 PolarHBondContact N-O 2.76Å; Y21-S24 PolarHBondContact O-N 3.05Å; Q22-S24 VanDerWaalsContact C-N 3.26Å; Q22-S24 PolarHBondContact O-N 3.01Å; S24-H26 PolarHBondContact O-N 2.88Å |
| 25 | A | 93.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 38.2 Ų | 38.2 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 128.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y16 W44 L46 G47 | Y16-A25 HydrophobicContact CD2-CB 4.37Å; Y16-A25 HydrophobicContact CE1-CB 4.01Å; Y16-A25 HydrophobicContact CE2-CB 3.71Å; Y16-A25 VanDerWaalsContact CZ-CB 3.48Å; A25-W44 HydrophobicContact CB-CB 4.46Å; A25-W44 HydrophobicContact CB-CD2 4.19Å; A25-W44 HydrophobicContact CB-CE3 3.99Å; A25-W44 HydrophobicContact CB-CG 4.42Å; A25-L46 PolarHBondContact O-N 2.89Å; A25-G47 PolarHBondContact O-N 2.89Å |
| 26 | H | 94.9 | Very high | 93.1 | Very high | 54 Ų | 54 | 38.8 Ų | 38.8 | 25% | 0.25 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 138.9 | -175 | -179.5 | 97 | 0 | 0 | 0 | 110.7 | N19 S24 W44 N45 | N19-H26 CarbonylContact C-O 3.56Å; N19-H26 VanDerWaalsContact C-O 3.28Å; N19-H26 WeakPolarHBondContact CB-O 3.33Å; N19-H26 PolarHBondContact O-N 3.48Å; N19-H26 VanDerWaalsContact O-N 3.12Å; S24-H26 PolarHBondContact O-N 2.88Å; H26-W44 WeakPolarHBondContact CA-O 3.42Å; H26-N45 PolarHBondContact CE1-OD1 3.26Å; H26-N45 VanDerWaalsContact CE1-OD1 3.25Å; H26-N45 PolarHBondContact ND1-OD1 2.87Å; H26-N45 VanDerWaalsContact ND1-OD1 3.11Å |
| 27 | G | 95 | Very high | 92.7 | Very high | 23 Ų | 23 | 42 Ų | 42 | 24% | 0.237 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.1 | -137 | -172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E43 W44 | G27-E43 CarbonylContact O-C 3.57Å; G27-E43 WeakPolarHBondContact O-CA 3.39Å; G27-W44 PolarHBondContact N-O 2.94Å; G27-W44 PolarHBondContact O-N 3.12Å |
| 28 | L | 97 | Very high | 92.4 | Very high | 35 Ų | 35 | 42 Ų | 42 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 141.3 | 179.4 | -69.3 | 170.4 | 0 | 0 | 0 | 111.3 | G18 N19 L474 Q477 A478 L481 | G18-L28 CarbonylContact C-O 3.58Å; G18-L28 VanDerWaalsContact CA-O 3.27Å; G18-L28 WeakPolarHBondContact CA-O 3.41Å; N19-L28 PolarHBondContact N-O 3.29Å; N19-L28 PolarHBondContact OD1-N 2.81Å; N19-L28 PolarHBondContact OD1-O 3.08Å; L28-L474 HydrophobicContact CD2-CB 4.41Å; L28-L474 HydrophobicContact CD2-CD2 3.82Å; L28-Q477 HydrophobicContact CD1-CB 3.73Å; L28-Q477 HydrophobicContact CD2-CB 4.22Å; L28-A478 HydrophobicContact CB-CB 4.37Å; L28-A478 HydrophobicContact CD2-CB 4.44Å; L28-L481 HydrophobicContact CB-CD1 4.39Å |
| 29 | G | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.9 | 159.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I17 G42 W44 | I17-G29 WeakPolarHBondContact O-CA 3.34Å; G29-G42 PolarHBondContact N-O 2.83Å; G29-G42 PolarHBondContact O-N 3.41Å; G29-G42 VanDerWaalsContact O-N 3.1Å; G29-W44 VanDerWaalsContact C-NE1 3.35Å; G29-W44 PolarHBondContact O-NE1 3.37Å |
| 30 | L | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.2 | 175.5 | -177.6 | 160.2 | 0 | 0 | 0 | 108.3 | Y16 I17 T32 E39 Y40 R479 A482 F489 Q491 | Y16-L30 CarbonylContact C-O 3.55Å; Y16-L30 WeakPolarHBondContact CA-O 3.34Å; Y16-L30 WeakPolarHBondContact CD2-O 3.48Å; I17-L30 PolarHBondContact N-O 2.81Å; I17-L30 PolarHBondContact O-N 3.32Å; L30-T32 HydrophobicContact CD2-CG2 4.26Å; L30-E39 HydrophobicContact CD1-CG 4.39Å; L30-E39 HydrophobicContact CD2-CG 3.81Å; L30-E39 HydrophobicContact CG-CG 3.93Å; L30-Y40 CarbonylContact C-O 3.45Å; L30-Y40 VanDerWaalsContact CA-O 3.29Å; L30-Y40 WeakPolarHBondContact CA-O 3.49Å; L30-R479 HydrophobicContact CD1-CG 4.21Å; L30-A482 HydrophobicContact CB-CB 4.3Å; L30-A482 HydrophobicContact CD1-CB 4.43Å; L30-F489 HydrophobicContact CD2-CE1 3.68Å; L30-F489 HydrophobicContact CD2-CZ 4.08Å; L30-Q491 HydrophobicContact CD1-CB 4.24Å; L30-Q491 HydrophobicContact CD1-CG 3.82Å |
| 31 | A | 95.7 | Very high | 92.6 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 12% | 0.116 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | T15 Y16 E39 Y40 W44 | T15-A31 CarbonylContact O-C 3.5Å; T15-A31 WeakPolarHBondContact O-CA 3.03Å; Y16-A31 HydrophobicContact CD2-CB 4.18Å; A31-E39 CarbonylContact O-C 3.55Å; A31-E39 VanDerWaalsContact O-CA 3.26Å; A31-E39 WeakPolarHBondContact O-CA 3.25Å; A31-Y40 PolarHBondContact N-O 3.12Å; A31-Y40 PolarHBondContact O-N 2.9Å; A31-W44 HydrophobicContact CB-CH2 3.82Å; A31-W44 HydrophobicContact CB-CZ2 3.59Å |
| 32 | T | 94.7 | Very high | 92.8 | Very high | 11 Ų | 11 | 34.3 Ų | 34.3 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 148.7 | 162.7 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | T15 L30 G38 E39 F489 P492 | T15-T32 PolarHBondContact N-OG1 2.7Å; T15-T32 PolarHBondContact O-N 2.94Å; T15-T32 PolarHBondContact O-OG1 2.76Å; L30-T32 HydrophobicContact CD2-CG2 4.26Å; T32-G38 CarbonylContact C-O 3.48Å; T32-G38 VanDerWaalsContact CA-O 3.26Å; T32-G38 WeakPolarHBondContact CA-O 3.12Å; T32-E39 HydrophobicContact CG2-CB 4.27Å; T32-E39 HydrophobicContact CG2-CG 4.07Å; T32-F489 HydrophobicContact CG2-CZ 4.07Å; T32-P492 HydrophobicContact CG2-CG 3.73Å |
| 33 | G | 89.5 | Confident | 93.2 | Very high | 13 Ų | 13 | 29.9 Ų | 29.9 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | trans | -75.9 | -175.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G14 N35 G36 V37 G38 | G14-G33 VanDerWaalsContact CA-O 3.25Å; G14-G33 WeakPolarHBondContact CA-O 3.32Å; G33-N35 PolarHBondContact O-N 2.73Å; G33-G36 WeakPolarHBondContact O-CA 3.41Å; G33-G36 PolarHBondContact O-N 2.81Å; G33-V37 CarbonylContact C-O 3.51Å; G33-V37 VanDerWaalsContact CA-O 3.24Å; G33-V37 WeakPolarHBondContact CA-O 3.47Å; G33-V37 PolarHBondContact O-N 2.86Å; G33-G38 PolarHBondContact N-O 3.04Å | ||
| 34 | P | 89.8 | Confident | 93.6 | Very high | 61 Ų | 61 | 27.5 Ų | 27.5 | 40% | 0.396 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -49.4 | 137.1 | -175.5 | -26.1 | 30.8 | 0 | 0 | 0 | 113 | D12 G36 V37 | D12-P34 HydrophobicContact CB-CB 4.17Å; D12-P34 WeakPolarHBondContact OD2-CG 3.49Å; P34-G36 PolarHBondContact O-N 2.84Å; P34-G36 VanDerWaalsContact O-N 3.16Å; P34-V37 WeakPolarHBondContact O-CB 3.44Å; P34-V37 WeakPolarHBondContact O-CG2 3.38Å; P34-V37 PolarHBondContact O-N 3.45Å |
| 35 | N | 88.9 | Confident | 93.8 | Very high | 134 Ų | 134 | 29.1 Ų | 29.1 | 72% | 0.717 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | 54.3 | 24.1 | -174.6 | -52.8 | -88.2 | 0 | 0 | 0 | 114.7 | D12 G13 G33 V37 | D12-N35 PolarHBondContact O-N 3.14Å; G13-N35 CarbonylContact O-C 3.28Å; G33-N35 PolarHBondContact O-N 2.73Å; N35-V37 VanDerWaalsContact C-N 3.34Å; N35-V37 HydrophobicContact CB-CG2 4.27Å |
| 36 | G | 84.8 | Confident | 93.7 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 23% | 0.227 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | 77.2 | 16.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G13 G33 P34 W496 | G13-G36 PolarHBondContact O-N 3.37Å; G13-G36 VanDerWaalsContact O-N 3.08Å; G33-G36 WeakPolarHBondContact O-CA 3.41Å; G33-G36 PolarHBondContact O-N 2.81Å; P34-G36 PolarHBondContact O-N 2.84Å; P34-G36 VanDerWaalsContact O-N 3.16Å; G36-W496 WeakPolarHBondContact O-CH2 3.41Å |
| 37 | V | 86.3 | Confident | 93.6 | Very high | 73 Ų | 73 | 31.8 Ų | 31.8 | 44% | 0.442 | 20% | 0.196 | S | C | . | . | trans | -100.9 | 118 | -170.3 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | G33 P34 N35 P57 | G33-V37 CarbonylContact C-O 3.51Å; G33-V37 VanDerWaalsContact CA-O 3.24Å; G33-V37 WeakPolarHBondContact CA-O 3.47Å; G33-V37 PolarHBondContact O-N 2.86Å; P34-V37 WeakPolarHBondContact O-CB 3.44Å; P34-V37 WeakPolarHBondContact O-CG2 3.38Å; P34-V37 PolarHBondContact O-N 3.45Å; N35-V37 VanDerWaalsContact C-N 3.34Å; N35-V37 HydrophobicContact CB-CG2 4.27Å; V37-P57 HydrophobicContact CB-CG 4.49Å; V37-P57 HydrophobicContact CG1-CB 3.95Å; V37-P57 HydrophobicContact CG1-CG 3.23Å | ||
| 38 | G | 90.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 81.9 | 151.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112 | T32 G33 L55 W496 | T32-G38 CarbonylContact C-O 3.48Å; T32-G38 VanDerWaalsContact CA-O 3.26Å; T32-G38 WeakPolarHBondContact CA-O 3.12Å; G33-G38 PolarHBondContact N-O 3.04Å; G38-L55 WeakPolarHBondContact CA-O 3.39Å; G38-W496 VanDerWaalsContact CA-CZ3 3.46Å |
| 39 | E | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 128.3 | -178.1 | -173.4 | -153.4 | 82.5 | 0 | 0 | 112.5 | L30 A31 T32 Y54 L55 R479 P492 G493 W496 | L30-E39 HydrophobicContact CD1-CG 4.39Å; L30-E39 HydrophobicContact CD2-CG 3.81Å; L30-E39 HydrophobicContact CG-CG 3.93Å; A31-E39 CarbonylContact O-C 3.55Å; A31-E39 VanDerWaalsContact O-CA 3.26Å; A31-E39 WeakPolarHBondContact O-CA 3.25Å; T32-E39 HydrophobicContact CG2-CB 4.27Å; T32-E39 HydrophobicContact CG2-CG 4.07Å; E39-Y54 CarbonylContact O-C 3.55Å; E39-Y54 WeakPolarHBondContact O-CA 3.33Å; E39-L55 PolarHBondContact N-O 3.13Å; E39-L55 PolarHBondContact O-N 3.06Å; E39-R479 IonicContact OE1-CZ 3.43Å; E39-R479 IonicContact OE1-NH1 3.39Å; E39-R479 PolarHBondContact OE1-NH1 2.88Å; E39-R479 IonicContact OE1-NH2 3.32Å; E39-R479 PolarHBondContact OE1-NH2 3.27Å; E39-R479 IonicContact OE2-NH1 2.81Å; E39-R479 PolarHBondContact OE2-NH1 2.85Å; E39-P492 WeakPolarHBondContact OE2-CD 3.43Å; E39-G493 WeakPolarHBondContact OE1-CA 3.42Å; E39-G493 WeakPolarHBondContact OE2-CA 3.5Å; E39-G493 PolarHBondContact OE2-N 2.9Å; E39-W496 HydrophobicContact CB-CE3 4.36Å; E39-W496 HydrophobicContact CB-CZ3 3.7Å |
| 40 | Y | 96.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 142.7 | 163.5 | -179.5 | -95 | 0 | 0 | 0 | 110.8 | L30 A31 E43 W44 E49 C51 G52 Y54 W66 | L30-Y40 CarbonylContact C-O 3.45Å; L30-Y40 VanDerWaalsContact CA-O 3.29Å; L30-Y40 WeakPolarHBondContact CA-O 3.49Å; A31-Y40 PolarHBondContact N-O 3.12Å; A31-Y40 PolarHBondContact O-N 2.9Å; Y40-E43 PolarHBondContact OH-O 3.36Å; Y40-W44 AromaticContact CD1-CE2 3.56Å; Y40-W44 HydrophobicContact CD1-CH2 4.27Å; Y40-W44 AromaticContact CD1-CZ2 3.37Å; Y40-W44 HydrophobicContact CD1-CZ2 3.37Å; Y40-W44 AromaticContact CD1-NE1 3.6Å; Y40-W44 HydrophobicContact CE1-CD2 4.31Å; Y40-W44 AromaticContact CE1-CE2 3.61Å; Y40-W44 AromaticContact CE1-CZ2 3.9Å; Y40-W44 HydrophobicContact CE1-CZ2 3.9Å; Y40-W44 AromaticContact CE1-NE1 3.44Å; Y40-W44 HydrophobicContact CG-CZ2 4.22Å; Y40-E49 HydrophobicContact CD1-CG 4.25Å; Y40-E49 HydrophobicContact CD2-CB 4.4Å; Y40-E49 HydrophobicContact CD2-CG 4.01Å; Y40-E49 HydrophobicContact CE1-CB 4.21Å; Y40-E49 HydrophobicContact CE1-CG 4.14Å; Y40-E49 HydrophobicContact CE2-CB 3.79Å; Y40-E49 HydrophobicContact CE2-CG 3.91Å; Y40-E49 HydrophobicContact CG-CG 4.16Å; Y40-C51 PolarHBondContact OH-N 2.98Å; Y40-C51 PolarHBondContact OH-O 3.02Å; Y40-G52 PolarHBondContact OH-N 3.33Å; Y40-Y54 HydrophobicContact CD2-CD2 4.44Å; Y40-W66 AromaticContact CE2-CD1 3.84Å; Y40-W66 HydrophobicContact CE2-CD2 4.45Å; Y40-W66 HydrophobicContact CE2-CG 4.35Å; Y40-W66 AromaticContact CE2-NE1 3.65Å |
| 41 | S | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 121.7 | 171.8 | 50.5 | 0 | 0 | 0 | 0 | 110.6 | G52 V53 S475 R479 | S41-G52 WeakPolarHBondContact O-CA 3.42Å; S41-V53 PolarHBondContact N-O 2.87Å; S41-V53 PolarHBondContact O-N 3.11Å; S41-V53 PolarHBondContact OG-O 3.28Å; S41-S475 WeakPolarHBondContact O-CA 3.33Å; S41-S475 WeakPolarHBondContact O-CB 3.34Å; S41-S475 PolarHBondContact OG-OG 3.25Å; S41-R479 PolarHBondContact OG-NH2 3.14Å |
| 42 | G | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.5 | -145.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G29 | G29-G42 PolarHBondContact N-O 2.83Å; G29-G42 PolarHBondContact O-N 3.41Å; G29-G42 VanDerWaalsContact O-N 3.1Å |
| 43 | E | 97.2 | Very high | 93.8 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 141.8 | -177.6 | -168.1 | -175 | 167.9 | 0 | 0 | 111.7 | G27 Y40 T50 C51 K470 L474 | G27-E43 CarbonylContact O-C 3.57Å; G27-E43 WeakPolarHBondContact O-CA 3.39Å; Y40-E43 PolarHBondContact OH-O 3.36Å; E43-T50 WeakPolarHBondContact CB-OG1 3.27Å; E43-T50 VanDerWaalsContact CG-OG1 3.26Å; E43-T50 WeakPolarHBondContact CG-OG1 3.36Å; E43-T50 PolarHBondContact O-N 3.28Å; E43-T50 PolarHBondContact O-OG1 3.23Å; E43-C51 HydrophobicContact CB-CB 4.39Å; E43-C51 WeakPolarHBondContact CB-O 3.45Å; E43-C51 PolarHBondContact N-O 3.19Å; E43-K470 IonicContact OE2-NZ 2.66Å; E43-K470 PolarHBondContact OE2-NZ 3.41Å; E43-L474 HydrophobicContact CB-CD1 3.89Å; E43-L474 HydrophobicContact CB-CD2 4.32Å; E43-L474 WeakPolarHBondContact OE2-CD1 3.3Å |
| 44 | W | 96.6 | Very high | 94.1 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 7% | 0.072 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.2 | -177.8 | -66.1 | 82.3 | 0 | 0 | 0 | 110.9 | Y16 A25 H26 G27 G29 A31 Y40 F48 E49 | Y16-W44 HydrophobicContact CD2-CZ2 4.1Å; Y16-W44 HydrophobicContact CE2-CD2 4.04Å; Y16-W44 AromaticContact CE2-CE2 3.65Å; Y16-W44 HydrophobicContact CE2-CG 4.32Å; Y16-W44 AromaticContact CE2-CZ2 3.97Å; Y16-W44 HydrophobicContact CE2-CZ2 3.97Å; Y16-W44 AromaticContact CE2-NE1 3.72Å; A25-W44 HydrophobicContact CB-CB 4.46Å; A25-W44 HydrophobicContact CB-CD2 4.19Å; A25-W44 HydrophobicContact CB-CE3 3.99Å; A25-W44 HydrophobicContact CB-CG 4.42Å; H26-W44 WeakPolarHBondContact CA-O 3.42Å; G27-W44 PolarHBondContact N-O 2.94Å; G27-W44 PolarHBondContact O-N 3.12Å; G29-W44 VanDerWaalsContact C-NE1 3.35Å; G29-W44 PolarHBondContact O-NE1 3.37Å; A31-W44 HydrophobicContact CB-CH2 3.82Å; A31-W44 HydrophobicContact CB-CZ2 3.59Å; Y40-W44 AromaticContact CD1-CE2 3.56Å; Y40-W44 HydrophobicContact CD1-CH2 4.27Å; Y40-W44 AromaticContact CD1-CZ2 3.37Å; Y40-W44 HydrophobicContact CD1-CZ2 3.37Å; Y40-W44 AromaticContact CD1-NE1 3.6Å; Y40-W44 HydrophobicContact CE1-CD2 4.31Å; Y40-W44 AromaticContact CE1-CE2 3.61Å; Y40-W44 AromaticContact CE1-CZ2 3.9Å; Y40-W44 HydrophobicContact CE1-CZ2 3.9Å; Y40-W44 AromaticContact CE1-NE1 3.44Å; Y40-W44 HydrophobicContact CG-CZ2 4.22Å; W44-F48 CarbonylContact C-O 3.56Å; W44-F48 VanDerWaalsContact CA-O 3.29Å; W44-F48 WeakPolarHBondContact CA-O 3.31Å; W44-E49 HydrophobicContact CE3-CG 4.37Å; W44-E49 HydrophobicContact CH2-CG 4.02Å; W44-E49 HydrophobicContact CZ2-CG 4.5Å; W44-E49 HydrophobicContact CZ3-CG 3.95Å |
| 45 | N | 95.2 | Very high | 94.3 | Very high | 75 Ų | 75 | 35.4 Ų | 35.4 | 40% | 0.401 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 112.2 | 173.3 | -176.1 | 31 | 0 | 0 | 0 | 111.5 | H26 G47 F48 T50 | H26-N45 PolarHBondContact CE1-OD1 3.26Å; H26-N45 VanDerWaalsContact CE1-OD1 3.25Å; H26-N45 PolarHBondContact ND1-OD1 2.87Å; H26-N45 VanDerWaalsContact ND1-OD1 3.11Å; N45-G47 PolarHBondContact O-N 3.44Å; N45-F48 PolarHBondContact N-O 2.97Å; N45-F48 PolarHBondContact O-N 3.05Å; N45-T50 HydrophobicContact CB-CG2 3.53Å |
| 46 | L | 92.6 | Very high | 94.3 | Very high | 87 Ų | 87 | 31.7 Ų | 31.7 | 46% | 0.455 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 47.1 | 174.7 | -57.8 | 175.1 | 0 | 0 | 0 | 112.9 | Y21 A25 F48 | Y21-L46 HydrophobicContact CD1-CD2 4.1Å; A25-L46 PolarHBondContact O-N 2.89Å; L46-F48 WeakPolarHBondContact O-CD2 3.48Å |
| 47 | G | 92.7 | Very high | 94.4 | Very high | 35 Ų | 35 | 33.3 Ų | 33.3 | 36% | 0.361 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -5.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A25 N45 | A25-G47 PolarHBondContact O-N 2.89Å; N45-G47 PolarHBondContact O-N 3.44Å |
| 48 | F | 95.3 | Very high | 94.3 | Very high | 107 Ų | 107 | 35 Ų | 35 | 47% | 0.469 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 148.7 | -178.4 | -60.8 | -74.5 | 0 | 0 | 0 | 113 | W44 N45 L46 K68 | W44-F48 CarbonylContact C-O 3.56Å; W44-F48 VanDerWaalsContact CA-O 3.29Å; W44-F48 WeakPolarHBondContact CA-O 3.31Å; N45-F48 PolarHBondContact N-O 2.97Å; N45-F48 PolarHBondContact O-N 3.05Å; L46-F48 WeakPolarHBondContact O-CD2 3.48Å; F48-K68 HydrophobicContact CD1-CB 4.49Å |
| 49 | E | 95.8 | Very high | 94 | Very high | 36 Ų | 36 | 35.5 Ų | 35.5 | 17% | 0.168 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 143.9 | 171.1 | -45.9 | 86.2 | 162.4 | 0 | 0 | 110.6 | Y40 W44 W66 G69 | Y40-E49 HydrophobicContact CD1-CG 4.25Å; Y40-E49 HydrophobicContact CD2-CB 4.4Å; Y40-E49 HydrophobicContact CD2-CG 4.01Å; Y40-E49 HydrophobicContact CE1-CB 4.21Å; Y40-E49 HydrophobicContact CE1-CG 4.14Å; Y40-E49 HydrophobicContact CE2-CB 3.79Å; Y40-E49 HydrophobicContact CE2-CG 3.91Å; Y40-E49 HydrophobicContact CG-CG 4.16Å; W44-E49 HydrophobicContact CE3-CG 4.37Å; W44-E49 HydrophobicContact CH2-CG 4.02Å; W44-E49 HydrophobicContact CZ2-CG 4.5Å; W44-E49 HydrophobicContact CZ3-CG 3.95Å; E49-W66 HydrophobicContact CB-CB 3.64Å; E49-W66 HydrophobicContact CB-CD2 4.33Å; E49-W66 HydrophobicContact CB-CG 3.88Å; E49-W66 WeakPolarHBondContact O-CB 3.49Å; E49-G69 VanDerWaalsContact OE2-CA 3.24Å; E49-G69 WeakPolarHBondContact OE2-CA 3.36Å; E49-G69 PolarHBondContact OE2-N 3.02Å; E49-G69 VanDerWaalsContact OE2-N 3.14Å |
| 50 | T | 96.8 | Very high | 93.9 | Very high | 34 Ų | 34 | 36.6 Ų | 36.6 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | -43.8 | 175.9 | 61 | 0 | 0 | 0 | 0 | 113.5 | E43 N45 T65 W66 | E43-T50 WeakPolarHBondContact CB-OG1 3.27Å; E43-T50 VanDerWaalsContact CG-OG1 3.26Å; E43-T50 WeakPolarHBondContact CG-OG1 3.36Å; E43-T50 PolarHBondContact O-N 3.28Å; E43-T50 PolarHBondContact O-OG1 3.23Å; N45-T50 HydrophobicContact CB-CG2 3.53Å; T50-T65 CarbonylContact O-C 3.51Å; T50-T65 WeakPolarHBondContact O-CA 3.34Å; T50-W66 PolarHBondContact O-N 2.91Å |
| 51 | C | 97.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 117.4 | -179.1 | -171.5 | 0 | 0 | 0 | 0 | 110.9 | Y40 E43 G64 T65 L474 | Y40-C51 PolarHBondContact OH-N 2.98Å; Y40-C51 PolarHBondContact OH-O 3.02Å; E43-C51 HydrophobicContact CB-CB 4.39Å; E43-C51 WeakPolarHBondContact CB-O 3.45Å; E43-C51 PolarHBondContact N-O 3.19Å; C51-G64 WeakPolarHBondContact CA-O 3.48Å; C51-T65 HydrophobicContact CB-CG2 4.38Å; C51-L474 HydrophobicContact CB-CD1 3.81Å |
| 52 | G | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | -175.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y40 S41 G64 | Y40-G52 PolarHBondContact OH-N 3.33Å; S41-G52 WeakPolarHBondContact O-CA 3.42Å; G52-G64 PolarHBondContact N-O 3.01Å; G52-G64 PolarHBondContact O-N 3.25Å; G52-G64 VanDerWaalsContact O-N 3.16Å |
| 53 | V | 96.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.4 | 179.7 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | S41 L55 M61 Y62 A63 | S41-V53 PolarHBondContact N-O 2.87Å; S41-V53 PolarHBondContact O-N 3.11Å; S41-V53 PolarHBondContact OG-O 3.28Å; V53-L55 HydrophobicContact CG1-CD2 4.38Å; V53-L55 HydrophobicContact CG1-CG 4.22Å; V53-M61 HydrophobicContact CG1-CG 3.89Å; V53-M61 HydrophobicContact CG1-SD 3.92Å; V53-Y62 CarbonylContact C-O 3.47Å; V53-Y62 VanDerWaalsContact CA-O 3.31Å; V53-Y62 WeakPolarHBondContact CA-O 3.47Å; V53-A63 HydrophobicContact CG1-CB 4.49Å; V53-A63 HydrophobicContact CG2-CB 3.91Å |
| 54 | Y | 95.7 | Very high | 93.7 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 20% | 0.2 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136.4 | 167.4 | -167.2 | -76.9 | 0 | 0 | 0 | 109.8 | E39 Y40 W56 M61 Y62 W66 | E39-Y54 CarbonylContact O-C 3.55Å; E39-Y54 WeakPolarHBondContact O-CA 3.33Å; Y40-Y54 HydrophobicContact CD2-CD2 4.44Å; Y54-W56 AromaticContact CD1-CD2 3.7Å; Y54-W56 HydrophobicContact CD1-CD2 3.7Å; Y54-W56 AromaticContact CD1-CE2 3.71Å; Y54-W56 HydrophobicContact CD1-CE3 4.07Å; Y54-W56 HydrophobicContact CD1-CG 4.06Å; Y54-W56 HydrophobicContact CD1-CH2 4.46Å; Y54-W56 HydrophobicContact CD1-CZ2 4.1Å; Y54-W56 HydrophobicContact CD1-CZ3 4.46Å; Y54-W56 AromaticContact CE1-CD1 3.58Å; Y54-W56 AromaticContact CE1-CD2 3.83Å; Y54-W56 HydrophobicContact CE1-CD2 3.83Å; Y54-W56 AromaticContact CE1-CE2 3.73Å; Y54-W56 AromaticContact CE1-CG 3.73Å; Y54-W56 HydrophobicContact CE1-CG 3.73Å; Y54-W56 HydrophobicContact CE1-CZ2 4.45Å; Y54-W56 AromaticContact CE1-NE1 3.56Å; Y54-M61 WeakPolarHBondContact O-CA 3.37Å; Y54-Y62 PolarHBondContact N-O 3.4Å; Y54-Y62 PolarHBondContact O-N 3.47Å; Y54-W66 VanDerWaalsContact CB-CZ2 3.47Å; Y54-W66 HydrophobicContact CD2-CH2 4.26Å; Y54-W66 HydrophobicContact CG-CH2 4.13Å; Y54-W66 HydrophobicContact CG-CZ2 4.31Å |
| 55 | L | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 121.4 | 177.4 | -67 | 166 | 0 | 0 | 0 | 109 | G38 E39 V53 M61 G493 W496 R497 | G38-L55 WeakPolarHBondContact CA-O 3.39Å; E39-L55 PolarHBondContact N-O 3.13Å; E39-L55 PolarHBondContact O-N 3.06Å; V53-L55 HydrophobicContact CG1-CD2 4.38Å; V53-L55 HydrophobicContact CG1-CG 4.22Å; L55-M61 HydrophobicContact CD2-CB 3.77Å; L55-M61 HydrophobicContact CD2-CG 3.59Å; L55-M61 HydrophobicContact CD2-SD 3.91Å; L55-G493 WeakPolarHBondContact CD1-O 3.36Å; L55-W496 HydrophobicContact CB-CB 4.46Å; L55-W496 HydrophobicContact CB-CE3 4.16Å; L55-R497 HydrophobicContact CD1-CB 4.2Å |
| 56 | W | 89.7 | Confident | 93.8 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 21% | 0.208 | 18% | 0.182 | C | C | . | . | trans | -85.5 | 153.9 | 175.8 | -74.6 | -84.7 | 0 | 0 | 0 | 110.9 | Y54 N58 G59 N60 | Y54-W56 AromaticContact CD1-CD2 3.7Å; Y54-W56 HydrophobicContact CD1-CD2 3.7Å; Y54-W56 AromaticContact CD1-CE2 3.71Å; Y54-W56 HydrophobicContact CD1-CE3 4.07Å; Y54-W56 HydrophobicContact CD1-CG 4.06Å; Y54-W56 HydrophobicContact CD1-CH2 4.46Å; Y54-W56 HydrophobicContact CD1-CZ2 4.1Å; Y54-W56 HydrophobicContact CD1-CZ3 4.46Å; Y54-W56 AromaticContact CE1-CD1 3.58Å; Y54-W56 AromaticContact CE1-CD2 3.83Å; Y54-W56 HydrophobicContact CE1-CD2 3.83Å; Y54-W56 AromaticContact CE1-CE2 3.73Å; Y54-W56 AromaticContact CE1-CG 3.73Å; Y54-W56 HydrophobicContact CE1-CG 3.73Å; Y54-W56 HydrophobicContact CE1-CZ2 4.45Å; Y54-W56 AromaticContact CE1-NE1 3.56Å; W56-N58 WeakPolarHBondContact CB-OD1 3.29Å; W56-N58 PolarHBondContact O-N 2.97Å; W56-N58 VanDerWaalsContact O-N 3.15Å; W56-G59 PolarHBondContact O-N 3.2Å; W56-N60 HydrophobicContact CB-CB 4.17Å; W56-N60 HydrophobicContact CD2-CB 4.38Å; W56-N60 HydrophobicContact CE3-CB 3.82Å; W56-N60 PolarHBondContact N-O 3.02Å | ||
| 57 | P | 86 | Confident | 93.9 | Very high | 57 Ų | 57 | 33.8 Ų | 33.8 | 37% | 0.37 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28.1 | -176.2 | -20.3 | 31.1 | 0 | 0 | 0 | 114 | V37 G59 | V37-P57 HydrophobicContact CB-CG 4.49Å; V37-P57 HydrophobicContact CG1-CB 3.95Å; V37-P57 HydrophobicContact CG1-CG 3.23Å; P57-G59 PolarHBondContact O-N 3.23Å |
| 58 | N | 84.5 | Confident | 93.9 | Very high | 107 Ų | 107 | 39.8 Ų | 39.8 | 57% | 0.572 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 2.9 | 177.9 | 58.5 | 14.4 | 0 | 0 | 0 | 114 | W56 N60 | W56-N58 WeakPolarHBondContact CB-OD1 3.29Å; W56-N58 PolarHBondContact O-N 2.97Å; W56-N58 VanDerWaalsContact O-N 3.15Å; N58-N60 VanDerWaalsContact C-N 3.34Å; N58-N60 PolarHBondContact ND2-ND2 2.93Å; N58-N60 WeakPolarHBondContact OD1-CB 3.34Å; N58-N60 PolarHBondContact OD1-N 2.99Å; N58-N60 VanDerWaalsContact OD1-N 3.12Å; N58-N60 PolarHBondContact OD1-ND2 2.93Å |
| 59 | G | 85 | Confident | 93.6 | Very high | 12 Ų | 12 | 36.5 Ų | 36.5 | 12% | 0.124 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 81.2 | 8.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | W56 P57 C500 | W56-G59 PolarHBondContact O-N 3.2Å; P57-G59 PolarHBondContact O-N 3.23Å; G59-C500 PolarHBondContact O-SG 2.98Å |
| 60 | N | 91.1 | Very high | 93.6 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | trans | -71.3 | 153 | 162.9 | -64.7 | -29.2 | 0 | 0 | 0 | 109.8 | W56 N58 V78 R79 G80 | W56-N60 HydrophobicContact CB-CB 4.17Å; W56-N60 HydrophobicContact CD2-CB 4.38Å; W56-N60 HydrophobicContact CE3-CB 3.82Å; W56-N60 PolarHBondContact N-O 3.02Å; N58-N60 VanDerWaalsContact C-N 3.34Å; N58-N60 PolarHBondContact ND2-ND2 2.93Å; N58-N60 WeakPolarHBondContact OD1-CB 3.34Å; N58-N60 PolarHBondContact OD1-N 2.99Å; N58-N60 VanDerWaalsContact OD1-N 3.12Å; N58-N60 PolarHBondContact OD1-ND2 2.93Å; N60-V78 WeakPolarHBondContact CA-O 3.34Å; N60-V78 WeakPolarHBondContact CB-O 3.38Å; N60-R79 VanDerWaalsContact OD1-CA 3.3Å; N60-R79 WeakPolarHBondContact OD1-CA 3.26Å; N60-G80 PolarHBondContact OD1-N 3.37Å | ||
| 61 | M | 93.6 | Very high | 93.5 | Very high | 40 Ų | 40 | 38.7 Ų | 38.7 | 20% | 0.197 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 143.9 | -179.1 | 177.7 | -179.9 | 60.2 | 0 | 0 | 111.1 | V53 Y54 L55 Q77 V78 | V53-M61 HydrophobicContact CG1-CG 3.89Å; V53-M61 HydrophobicContact CG1-SD 3.92Å; Y54-M61 WeakPolarHBondContact O-CA 3.37Å; L55-M61 HydrophobicContact CD2-CB 3.77Å; L55-M61 HydrophobicContact CD2-CG 3.59Å; L55-M61 HydrophobicContact CD2-SD 3.91Å; M61-Q77 CarbonylContact O-C 3.57Å; M61-Q77 WeakPolarHBondContact O-CA 3.25Å; M61-V78 HydrophobicContact CB-CB 4.2Å; M61-V78 HydrophobicContact CE-CG2 3.92Å; M61-V78 PolarHBondContact N-O 2.9Å; M61-V78 VanDerWaalsContact N-O 3.08Å; M61-V78 PolarHBondContact O-N 2.8Å |
| 62 | Y | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.7 | 161.7 | 178.4 | -88.8 | 0 | 0 | 0 | 110.2 | V53 Y54 T65 W66 R71 I76 Q77 F88 | V53-Y62 CarbonylContact C-O 3.47Å; V53-Y62 VanDerWaalsContact CA-O 3.31Å; V53-Y62 WeakPolarHBondContact CA-O 3.47Å; Y54-Y62 PolarHBondContact N-O 3.4Å; Y54-Y62 PolarHBondContact O-N 3.47Å; Y62-T65 PolarHBondContact OH-O 3.38Å; Y62-T65 VanDerWaalsContact OH-O 3.11Å; Y62-W66 AromaticContact CD1-CE2 3.53Å; Y62-W66 HydrophobicContact CD1-CH2 4.29Å; Y62-W66 AromaticContact CD1-CZ2 3.33Å; Y62-W66 HydrophobicContact CD1-CZ2 3.33Å; Y62-W66 AromaticContact CD1-NE1 3.57Å; Y62-W66 HydrophobicContact CE1-CD2 4.45Å; Y62-W66 AromaticContact CE1-CE2 3.7Å; Y62-W66 AromaticContact CE1-CZ2 3.96Å; Y62-W66 HydrophobicContact CE1-CZ2 3.96Å; Y62-W66 AromaticContact CE1-NE1 3.51Å; Y62-W66 HydrophobicContact CG-CZ2 4.08Å; Y62-R71 HydrophobicContact CD1-CG 3.99Å; Y62-R71 HydrophobicContact CD2-CB 4.31Å; Y62-R71 HydrophobicContact CD2-CG 3.7Å; Y62-R71 HydrophobicContact CE1-CB 4.36Å; Y62-R71 HydrophobicContact CE1-CG 4.04Å; Y62-R71 HydrophobicContact CE2-CB 3.87Å; Y62-R71 HydrophobicContact CE2-CG 3.76Å; Y62-R71 HydrophobicContact CG-CG 3.8Å; Y62-I76 WeakPolarHBondContact CA-O 3.48Å; Y62-I76 WeakPolarHBondContact CD2-O 3.44Å; Y62-Q77 HydrophobicContact CD2-CB 4.21Å; Y62-F88 HydrophobicContact CD2-CE1 4.18Å; Y62-F88 HydrophobicContact CD2-CE2 4.42Å; Y62-F88 HydrophobicContact CD2-CZ 4.05Å; Y62-F88 AromaticContact CE2-CD1 3.9Å; Y62-F88 HydrophobicContact CE2-CD1 3.9Å; Y62-F88 AromaticContact CE2-CD2 3.75Å; Y62-F88 HydrophobicContact CE2-CD2 3.75Å; Y62-F88 AromaticContact CE2-CE1 3.75Å; Y62-F88 HydrophobicContact CE2-CE1 3.75Å; Y62-F88 AromaticContact CE2-CE2 3.61Å; Y62-F88 HydrophobicContact CE2-CE2 3.61Å; Y62-F88 AromaticContact CE2-CG 3.9Å; Y62-F88 HydrophobicContact CE2-CG 3.9Å; Y62-F88 AromaticContact CE2-CZ 3.61Å; Y62-F88 HydrophobicContact CE2-CZ 3.61Å |
| 63 | A | 96.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 120.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V53 G75 I76 I468 | V53-A63 HydrophobicContact CG1-CB 4.49Å; V53-A63 HydrophobicContact CG2-CB 3.91Å; A63-G75 CarbonylContact O-C 3.37Å; A63-G75 WeakPolarHBondContact O-CA 3.24Å; A63-I76 PolarHBondContact N-O 3.08Å; A63-I76 PolarHBondContact O-N 3.37Å; A63-I468 HydrophobicContact CB-CG1 4.08Å; A63-I468 HydrophobicContact CB-CG2 3.99Å; A63-I468 WeakPolarHBondContact O-CG1 3.32Å |
| 64 | G | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.8 | -157.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C51 G52 N74 | C51-G64 WeakPolarHBondContact CA-O 3.48Å; G52-G64 PolarHBondContact N-O 3.01Å; G52-G64 PolarHBondContact O-N 3.25Å; G52-G64 VanDerWaalsContact O-N 3.16Å; G64-N74 WeakPolarHBondContact CA-O 3.26Å |
| 65 | T | 97.5 | Very high | 93.5 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 23% | 0.233 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 153.7 | 178.2 | 40.9 | 0 | 0 | 0 | 0 | 113.6 | T50 C51 Y62 H72 N74 I467 | T50-T65 CarbonylContact O-C 3.51Å; T50-T65 WeakPolarHBondContact O-CA 3.34Å; C51-T65 HydrophobicContact CB-CG2 4.38Å; Y62-T65 PolarHBondContact OH-O 3.38Å; Y62-T65 VanDerWaalsContact OH-O 3.11Å; T65-H72 CarbonylContact C-O 3.49Å; T65-H72 WeakPolarHBondContact CB-O 3.19Å; T65-H72 PolarHBondContact O-N 3.45Å; T65-H72 PolarHBondContact OG1-O 2.93Å; T65-N74 PolarHBondContact N-O 2.9Å; T65-N74 PolarHBondContact OG1-N 2.99Å; T65-N74 PolarHBondContact OG1-O 3.35Å; T65-I467 HydrophobicContact CG2-CG2 4.12Å |
| 66 | W | 97.2 | Very high | 93.7 | Very high | 16 Ų | 16 | 42 Ų | 42 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.4 | -175 | -65.4 | 80.8 | 0 | 0 | 0 | 110 | Y40 E49 T50 Y54 Y62 K70 R71 | Y40-W66 AromaticContact CE2-CD1 3.84Å; Y40-W66 HydrophobicContact CE2-CD2 4.45Å; Y40-W66 HydrophobicContact CE2-CG 4.35Å; Y40-W66 AromaticContact CE2-NE1 3.65Å; E49-W66 HydrophobicContact CB-CB 3.64Å; E49-W66 HydrophobicContact CB-CD2 4.33Å; E49-W66 HydrophobicContact CB-CG 3.88Å; E49-W66 WeakPolarHBondContact O-CB 3.49Å; T50-W66 PolarHBondContact O-N 2.91Å; Y54-W66 VanDerWaalsContact CB-CZ2 3.47Å; Y54-W66 HydrophobicContact CD2-CH2 4.26Å; Y54-W66 HydrophobicContact CG-CH2 4.13Å; Y54-W66 HydrophobicContact CG-CZ2 4.31Å; Y62-W66 AromaticContact CD1-CE2 3.53Å; Y62-W66 HydrophobicContact CD1-CH2 4.29Å; Y62-W66 AromaticContact CD1-CZ2 3.33Å; Y62-W66 HydrophobicContact CD1-CZ2 3.33Å; Y62-W66 AromaticContact CD1-NE1 3.57Å; Y62-W66 HydrophobicContact CE1-CD2 4.45Å; Y62-W66 AromaticContact CE1-CE2 3.7Å; Y62-W66 AromaticContact CE1-CZ2 3.96Å; Y62-W66 HydrophobicContact CE1-CZ2 3.96Å; Y62-W66 AromaticContact CE1-NE1 3.51Å; Y62-W66 HydrophobicContact CG-CZ2 4.08Å; W66-K70 WeakPolarHBondContact CA-O 3.2Å; W66-R71 HydrophobicContact CE3-CG 4.46Å; W66-R71 HydrophobicContact CH2-CG 3.85Å; W66-R71 HydrophobicContact CZ2-CG 4.22Å; W66-R71 HydrophobicContact CZ3-CG 3.98Å |
| 67 | I | 95 | Very high | 94 | Very high | 89 Ų | 89 | 40 Ų | 40 | 46% | 0.456 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 118.4 | 170.3 | -64.2 | -172.2 | 0 | 0 | 0 | 108 | K70 H72 | I67-K70 PolarHBondContact N-O 2.88Å; I67-K70 PolarHBondContact O-N 3Å; I67-H72 HydrophobicContact CB-CB 4.03Å; I67-H72 HydrophobicContact CD1-CB 4.38Å; I67-H72 VanDerWaalsContact CD1-CD2 3.43Å; I67-H72 WeakPolarHBondContact CD1-CD2 3.44Å; I67-H72 HydrophobicContact CG1-CB 3.98Å |
| 68 | K | 92 | Very high | 94.4 | Very high | 161 Ų | 161 | 37.7 Ų | 37.7 | 70% | 0.7 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 57.2 | 176.6 | -58.2 | 178.7 | -179.9 | -174.3 | 0 | 113.1 | F48 K70 | F48-K68 HydrophobicContact CD1-CB 4.49Å; K68-K70 PolarHBondContact O-N 3.5Å; K68-K70 VanDerWaalsContact O-N 3.08Å |
| 69 | G | 89.5 | Confident | 94.8 | Very high | 38 Ų | 38 | 36.4 Ų | 36.4 | 39% | 0.392 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | -1.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | E49 | E49-G69 VanDerWaalsContact OE2-CA 3.24Å; E49-G69 WeakPolarHBondContact OE2-CA 3.36Å; E49-G69 PolarHBondContact OE2-N 3.02Å; E49-G69 VanDerWaalsContact OE2-N 3.14Å |
| 70 | K | 94.9 | Very high | 94.9 | Very high | 87 Ų | 87 | 37.9 Ų | 37.9 | 38% | 0.378 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137.1 | -177.4 | -60.7 | -144.4 | 173.4 | -148.3 | 0 | 113 | W66 I67 K68 H72 S90 D1276 | W66-K70 WeakPolarHBondContact CA-O 3.2Å; I67-K70 PolarHBondContact N-O 2.88Å; I67-K70 PolarHBondContact O-N 3Å; K68-K70 PolarHBondContact O-N 3.5Å; K68-K70 VanDerWaalsContact O-N 3.08Å; K70-H72 PolarHBondContact O-N 2.86Å; K70-S90 WeakPolarHBondContact CD-O 3.37Å; K70-D1276 IonicContact NZ-OD2 2.74Å; K70-D1276 PolarHBondContact NZ-OD2 3.45Å |
| 71 | R | 95.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 11% | 0.109 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.9 | 123.8 | 168.1 | -64.9 | 168.6 | -89.6 | 146.4 | 6.5 | 109.7 | Y62 W66 F88 S90 G91 D1276 | Y62-R71 HydrophobicContact CD1-CG 3.99Å; Y62-R71 HydrophobicContact CD2-CB 4.31Å; Y62-R71 HydrophobicContact CD2-CG 3.7Å; Y62-R71 HydrophobicContact CE1-CB 4.36Å; Y62-R71 HydrophobicContact CE1-CG 4.04Å; Y62-R71 HydrophobicContact CE2-CB 3.87Å; Y62-R71 HydrophobicContact CE2-CG 3.76Å; Y62-R71 HydrophobicContact CG-CG 3.8Å; W66-R71 HydrophobicContact CE3-CG 4.46Å; W66-R71 HydrophobicContact CH2-CG 3.85Å; W66-R71 HydrophobicContact CZ2-CG 4.22Å; W66-R71 HydrophobicContact CZ3-CG 3.98Å; R71-F88 HydrophobicContact CB-CB 4.48Å; R71-F88 HydrophobicContact CB-CD1 3.92Å; R71-F88 HydrophobicContact CB-CG 4.4Å; R71-S90 PolarHBondContact O-N 2.77Å; R71-G91 PolarHBondContact NH1-O 2.97Å; R71-G91 PolarHBondContact NH2-O 3.46Å; R71-G91 PolarHBondContact O-N 2.87Å; R71-D1276 IonicContact NH2-OD1 3.7Å; R71-D1276 PolarHBondContact NH2-OD1 3.15Å |
| 72 | H | 96.2 | Very high | 95 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 25% | 0.245 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 163 | -173.1 | -159.5 | 94.3 | 0 | 0 | 0 | 111.4 | T65 I67 K70 N74 F88 | T65-H72 CarbonylContact C-O 3.49Å; T65-H72 WeakPolarHBondContact CB-O 3.19Å; T65-H72 PolarHBondContact O-N 3.45Å; T65-H72 PolarHBondContact OG1-O 2.93Å; I67-H72 HydrophobicContact CB-CB 4.03Å; I67-H72 HydrophobicContact CD1-CB 4.38Å; I67-H72 VanDerWaalsContact CD1-CD2 3.43Å; I67-H72 WeakPolarHBondContact CD1-CD2 3.44Å; I67-H72 HydrophobicContact CG1-CB 3.98Å; K70-H72 PolarHBondContact O-N 2.86Å; H72-N74 PolarHBondContact O-N 3.27Å; H72-F88 CarbonylContact C-O 3.55Å; H72-F88 WeakPolarHBondContact CA-O 3.44Å |
| 73 | G | 96 | Very high | 95 | Very high | 25 Ų | 25 | 46.5 Ų | 46.5 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.6 | -112.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | E87 F88 | G73-E87 CarbonylContact O-C 3.35Å; G73-E87 VanDerWaalsContact O-CA 3.24Å; G73-E87 WeakPolarHBondContact O-CA 3.42Å; G73-F88 PolarHBondContact N-O 2.94Å; G73-F88 PolarHBondContact O-N 3.36Å |
| 74 | N | 97.7 | Very high | 95.1 | Very high | 23 Ų | 23 | 46.5 Ų | 46.5 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.6 | 176.3 | -71.6 | 85.9 | 0 | 0 | 0 | 111.4 | G64 T65 H72 G86 A460 A464 I467 | G64-N74 WeakPolarHBondContact CA-O 3.26Å; T65-N74 PolarHBondContact N-O 2.9Å; T65-N74 PolarHBondContact OG1-N 2.99Å; T65-N74 PolarHBondContact OG1-O 3.35Å; H72-N74 PolarHBondContact O-N 3.27Å; N74-G86 VanDerWaalsContact CA-O 3.27Å; N74-G86 WeakPolarHBondContact CA-O 3.34Å; N74-G86 PolarHBondContact ND2-O 3.07Å; N74-A460 PolarHBondContact ND2-O 3.49Å; N74-A464 HydrophobicContact CB-CB 4.39Å; N74-I467 HydrophobicContact CB-CD1 3.76Å |
| 75 | G | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.4 | -174.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A63 G86 A464 | A63-G75 CarbonylContact O-C 3.37Å; A63-G75 WeakPolarHBondContact O-CA 3.24Å; G75-G86 PolarHBondContact N-O 3.05Å; G75-G86 PolarHBondContact O-N 2.86Å; G75-G86 VanDerWaalsContact O-N 3.09Å; G75-A464 WeakPolarHBondContact O-CB 3.42Å |
| 76 | I | 97.3 | Very high | 95.1 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.1 | 167.2 | -84.8 | 174.8 | 0 | 0 | 0 | 109.6 | Y62 A63 V78 I83 Y84 Q85 I468 | Y62-I76 WeakPolarHBondContact CA-O 3.48Å; Y62-I76 WeakPolarHBondContact CD2-O 3.44Å; A63-I76 PolarHBondContact N-O 3.08Å; A63-I76 PolarHBondContact O-N 3.37Å; I76-V78 HydrophobicContact CG2-CG2 4.31Å; I76-I83 HydrophobicContact CD1-CG2 4.08Å; I76-I83 HydrophobicContact CG1-CG2 4.28Å; I76-I83 HydrophobicContact CG2-CG2 3.68Å; I76-Y84 CarbonylContact C-O 3.49Å; I76-Y84 WeakPolarHBondContact CA-O 3.24Å; I76-Y84 WeakPolarHBondContact CG1-O 3.33Å; I76-Q85 HydrophobicContact CD1-CB 4.11Å; I76-Q85 HydrophobicContact CD1-CG 3.73Å; I76-Q85 HydrophobicContact CG1-CB 3.72Å; I76-Q85 HydrophobicContact CG1-CG 3.74Å; I76-I468 HydrophobicContact CB-CD1 3.41Å; I76-I468 VanDerWaalsContact CB-CD1 3.41Å; I76-I468 HydrophobicContact CB-CG1 4.34Å; I76-I468 HydrophobicContact CD1-CD1 3.43Å; I76-I468 VanDerWaalsContact CD1-CD1 3.43Å; I76-I468 HydrophobicContact CG1-CD1 3.28Å |
| 77 | Q | 96.7 | Very high | 95.1 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.8 | 160.3 | -176.9 | 168.8 | -9.6 | 0 | 0 | 109.8 | M61 Y62 I83 Y84 F88 | M61-Q77 CarbonylContact O-C 3.57Å; M61-Q77 WeakPolarHBondContact O-CA 3.25Å; Y62-Q77 HydrophobicContact CD2-CB 4.21Å; Q77-I83 CarbonylContact O-C 3.6Å; Q77-I83 WeakPolarHBondContact O-CA 3.24Å; Q77-Y84 PolarHBondContact N-O 2.9Å; Q77-Y84 PolarHBondContact O-N 2.87Å; Q77-F88 HydrophobicContact CB-CE1 4.34Å; Q77-F88 HydrophobicContact CB-CZ 3.81Å |
| 78 | V | 94.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.3 | 161.2 | 168.6 | 0 | 0 | 0 | 0 | 107.3 | N60 M61 I76 W82 I83 M102 I504 | N60-V78 WeakPolarHBondContact CA-O 3.34Å; N60-V78 WeakPolarHBondContact CB-O 3.38Å; M61-V78 HydrophobicContact CB-CB 4.2Å; M61-V78 HydrophobicContact CE-CG2 3.92Å; M61-V78 PolarHBondContact N-O 2.9Å; M61-V78 VanDerWaalsContact N-O 3.08Å; M61-V78 PolarHBondContact O-N 2.8Å; I76-V78 HydrophobicContact CG2-CG2 4.31Å; V78-W82 WeakPolarHBondContact CA-O 3.29Å; V78-I83 HydrophobicContact CG2-CG1 4.44Å; V78-M102 HydrophobicContact CB-CE 4.24Å; V78-M102 HydrophobicContact CG1-CE 3.49Å; V78-M102 VanDerWaalsContact CG1-CE 3.49Å; V78-M102 HydrophobicContact CG2-CE 3.84Å; V78-I504 HydrophobicContact CG1-CD1 4.19Å |
| 79 | R | 92.2 | Very high | 95.4 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 30% | 0.302 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 105.4 | 170.5 | -174.8 | 171.4 | 175 | 136.1 | 4.9 | 108.6 | N60 K81 W82 D1272 D1273 | N60-R79 VanDerWaalsContact OD1-CA 3.3Å; N60-R79 WeakPolarHBondContact OD1-CA 3.26Å; R79-K81 PolarHBondContact O-N 2.9Å; R79-W82 PolarHBondContact N-O 3.45Å; R79-W82 PolarHBondContact O-N 2.95Å; R79-D1272 PolarHBondContact NH2-O 3.06Å; R79-D1273 PolarHBondContact NH1-O 3Å; R79-D1273 PolarHBondContact NH2-O 3.08Å |
| 80 | G | 88.7 | Confident | 95.6 | Very high | 42 Ų | 42 | 42.1 Ų | 42.1 | 43% | 0.433 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | -132.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N60 W82 | N60-G80 PolarHBondContact OD1-N 3.37Å; G80-W82 PolarHBondContact O-N 3.38Å; G80-W82 VanDerWaalsContact O-N 3.08Å |
| 81 | K | 90.6 | Very high | 95.4 | Very high | 117 Ų | 117 | 38.2 Ų | 38.2 | 51% | 0.509 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 15.9 | -177.5 | -60.1 | 179.9 | -179.7 | 177.8 | 0 | 114.8 | R79 M102 | R79-K81 PolarHBondContact O-N 2.9Å; K81-M102 PolarHBondContact O-N 2.96Å |
| 82 | W | 95.1 | Very high | 95.4 | Very high | 91 Ų | 91 | 39 Ų | 39 | 35% | 0.345 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.7 | -179.5 | -69.6 | 102.9 | 0 | 0 | 0 | 112.4 | V78 R79 G80 K99 T100 A106 | V78-W82 WeakPolarHBondContact CA-O 3.29Å; R79-W82 PolarHBondContact N-O 3.45Å; R79-W82 PolarHBondContact O-N 2.95Å; G80-W82 PolarHBondContact O-N 3.38Å; G80-W82 VanDerWaalsContact O-N 3.08Å; W82-K99 HydrophobicContact CB-CG 4.44Å; W82-K99 HydrophobicContact CD2-CD 4.42Å; W82-K99 HydrophobicContact CD2-CG 4.19Å; W82-K99 HydrophobicContact CE3-CD 4.24Å; W82-K99 HydrophobicContact CE3-CG 3.59Å; W82-K99 VanDerWaalsContact CG-CE 3.48Å; W82-K99 HydrophobicContact CZ3-CG 4.18Å; W82-T100 VanDerWaalsContact CE3-C 3.42Å; W82-A106 HydrophobicContact CH2-CB 3.92Å; W82-A106 HydrophobicContact CZ3-CB 4.43Å |
| 83 | I | 96.3 | Very high | 95.4 | Very high | 36 Ų | 36 | 37.7 Ų | 37.7 | 19% | 0.185 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 118.8 | 170.7 | -51.1 | 178.3 | 0 | 0 | 0 | 108.1 | I76 Q77 V78 Q85 K99 T100 M102 | I76-I83 HydrophobicContact CD1-CG2 4.08Å; I76-I83 HydrophobicContact CG1-CG2 4.28Å; I76-I83 HydrophobicContact CG2-CG2 3.68Å; Q77-I83 CarbonylContact O-C 3.6Å; Q77-I83 WeakPolarHBondContact O-CA 3.24Å; V78-I83 HydrophobicContact CG2-CG1 4.44Å; I83-Q85 HydrophobicContact CG2-CG 3.9Å; I83-K99 CarbonylContact O-C 3.56Å; I83-K99 VanDerWaalsContact O-CA 3.32Å; I83-K99 WeakPolarHBondContact O-CA 3.39Å; I83-T100 PolarHBondContact N-O 2.97Å; I83-T100 PolarHBondContact O-N 3.23Å; I83-M102 HydrophobicContact CD1-CE 4Å; I83-M102 HydrophobicContact CD1-CG 4.05Å; I83-M102 HydrophobicContact CG1-CE 3.46Å; I83-M102 VanDerWaalsContact CG1-CE 3.46Å; I83-M102 HydrophobicContact CG1-CG 3.85Å |
| 84 | Y | 98.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.7 | 161.9 | 177 | -85.9 | 0 | 0 | 0 | 109.6 | I76 Q77 E87 F88 F93 Y96 V98 K99 W112 | I76-Y84 CarbonylContact C-O 3.49Å; I76-Y84 WeakPolarHBondContact CA-O 3.24Å; I76-Y84 WeakPolarHBondContact CG1-O 3.33Å; Q77-Y84 PolarHBondContact N-O 2.9Å; Q77-Y84 PolarHBondContact O-N 2.87Å; Y84-E87 WeakPolarHBondContact CE1-O 3.47Å; Y84-E87 PolarHBondContact OH-O 3.36Å; Y84-E87 VanDerWaalsContact OH-O 3.07Å; Y84-F88 HydrophobicContact CD1-CE1 4.46Å; Y84-F88 AromaticContact CD1-CE2 3.51Å; Y84-F88 HydrophobicContact CD1-CE2 3.51Å; Y84-F88 AromaticContact CD1-CZ 3.44Å; Y84-F88 HydrophobicContact CD1-CZ 3.44Å; Y84-F88 VanDerWaalsContact CD1-CZ 3.44Å; Y84-F88 HydrophobicContact CE1-CD2 4.14Å; Y84-F88 AromaticContact CE1-CE2 3.48Å; Y84-F88 HydrophobicContact CE1-CE2 3.48Å; Y84-F88 VanDerWaalsContact CE1-CE2 3.48Å; Y84-F88 AromaticContact CE1-CZ 3.75Å; Y84-F88 HydrophobicContact CE1-CZ 3.75Å; Y84-F88 HydrophobicContact CG-CZ 4.49Å; Y84-F93 AromaticContact CD1-CD1 3.65Å; Y84-F93 HydrophobicContact CD1-CD1 3.65Å; Y84-F93 AromaticContact CD1-CE1 3.74Å; Y84-F93 HydrophobicContact CD1-CE1 3.74Å; Y84-F93 HydrophobicContact CD1-CG 4.32Å; Y84-F93 HydrophobicContact CD1-CZ 4.45Å; Y84-F93 AromaticContact CD2-CD1 3.87Å; Y84-F93 HydrophobicContact CD2-CD1 3.87Å; Y84-F93 AromaticContact CD2-CD2 3.74Å; Y84-F93 HydrophobicContact CD2-CD2 3.74Å; Y84-F93 AromaticContact CD2-CE1 3.9Å; Y84-F93 HydrophobicContact CD2-CE1 3.9Å; Y84-F93 AromaticContact CD2-CE2 3.77Å; Y84-F93 HydrophobicContact CD2-CE2 3.77Å; Y84-F93 AromaticContact CD2-CG 3.82Å; Y84-F93 HydrophobicContact CD2-CG 3.82Å; Y84-F93 AromaticContact CD2-CZ 3.86Å; Y84-F93 HydrophobicContact CD2-CZ 3.86Å; Y84-F93 HydrophobicContact CE1-CB 4.37Å; Y84-F93 AromaticContact CE1-CD1 3.72Å; Y84-F93 HydrophobicContact CE1-CD1 3.72Å; Y84-F93 HydrophobicContact CE1-CE1 4.29Å; Y84-F93 HydrophobicContact CE1-CG 4.12Å; Y84-F93 HydrophobicContact CE2-CB 3.91Å; Y84-F93 AromaticContact CE2-CD1 3.92Å; Y84-F93 HydrophobicContact CE2-CD1 3.92Å; Y84-F93 AromaticContact CE2-CD2 3.75Å; Y84-F93 HydrophobicContact CE2-CD2 3.75Å; Y84-F93 HydrophobicContact CE2-CE1 4.42Å; Y84-F93 HydrophobicContact CE2-CE2 4.27Å; Y84-F93 AromaticContact CE2-CG 3.58Å; Y84-F93 HydrophobicContact CE2-CG 3.58Å; Y84-F93 AromaticContact CG-CD1 3.73Å; Y84-F93 HydrophobicContact CG-CD1 3.73Å; Y84-F93 HydrophobicContact CG-CD2 4.36Å; Y84-F93 AromaticContact CG-CE1 3.51Å; Y84-F93 HydrophobicContact CG-CE1 3.51Å; Y84-F93 HydrophobicContact CG-CE2 4.18Å; Y84-F93 HydrophobicContact CG-CG 4.18Å; Y84-F93 AromaticContact CG-CZ 3.76Å; Y84-F93 HydrophobicContact CG-CZ 3.76Å; Y84-F93 AromaticContact CZ-CD1 3.85Å; Y84-F93 AromaticContact CZ-CG 3.74Å; Y84-Y96 PolarHBondContact OH-O 2.92Å; Y84-V98 CarbonylContact C-O 3.57Å; Y84-V98 VanDerWaalsContact CA-O 3.31Å; Y84-V98 WeakPolarHBondContact CA-O 3.47Å; Y84-K99 HydrophobicContact CD2-CB 4.43Å; Y84-W112 HydrophobicContact CD2-CH2 4.21Å; Y84-W112 AromaticContact CD2-CZ2 3.87Å; Y84-W112 HydrophobicContact CD2-CZ2 3.87Å; Y84-W112 HydrophobicContact CE2-CD2 4.01Å; Y84-W112 AromaticContact CE2-CE2 3.59Å; Y84-W112 HydrophobicContact CE2-CG 4.33Å; Y84-W112 HydrophobicContact CE2-CH2 4.42Å; Y84-W112 AromaticContact CE2-CZ2 3.81Å; Y84-W112 HydrophobicContact CE2-CZ2 3.81Å; Y84-W112 AromaticContact CE2-NE1 3.73Å |
| 85 | Q | 98 | Very high | 95.3 | Very high | 40 Ų | 40 | 39.8 Ų | 39.8 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 118.3 | 176.4 | -30.2 | 178.6 | -96.8 | 0 | 0 | 108.3 | I76 I83 G97 V98 A461 | I76-Q85 HydrophobicContact CD1-CB 4.11Å; I76-Q85 HydrophobicContact CD1-CG 3.73Å; I76-Q85 HydrophobicContact CG1-CB 3.72Å; I76-Q85 HydrophobicContact CG1-CG 3.74Å; I83-Q85 HydrophobicContact CG2-CG 3.9Å; Q85-G97 CarbonylContact O-C 3.6Å; Q85-G97 WeakPolarHBondContact O-CA 3.38Å; Q85-V98 PolarHBondContact N-O 3.39Å; Q85-V98 PolarHBondContact O-N 3.26Å; Q85-A461 HydrophobicContact CB-CB 3.73Å |
| 86 | G | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164 | -155.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | N74 G75 | N74-G86 VanDerWaalsContact CA-O 3.27Å; N74-G86 WeakPolarHBondContact CA-O 3.34Å; N74-G86 PolarHBondContact ND2-O 3.07Å; G75-G86 PolarHBondContact N-O 3.05Å; G75-G86 PolarHBondContact O-N 2.86Å; G75-G86 VanDerWaalsContact O-N 3.09Å |
| 87 | E | 97.6 | Very high | 95.4 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 26% | 0.262 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 153.6 | 175.7 | -64.9 | 169 | -178.5 | 0 | 0 | 111.5 | G73 Y84 G94 Q95 Y96 A460 | G73-E87 CarbonylContact O-C 3.35Å; G73-E87 VanDerWaalsContact O-CA 3.24Å; G73-E87 WeakPolarHBondContact O-CA 3.42Å; Y84-E87 WeakPolarHBondContact CE1-O 3.47Å; Y84-E87 PolarHBondContact OH-O 3.36Å; Y84-E87 VanDerWaalsContact OH-O 3.07Å; E87-G94 PolarHBondContact O-N 3.27Å; E87-Q95 WeakPolarHBondContact OE2-CA 3.43Å; E87-Q95 WeakPolarHBondContact OE2-CB 3.49Å; E87-Q95 PolarHBondContact OE2-N 2.94Å; E87-Y96 PolarHBondContact N-O 3.47Å; E87-Y96 PolarHBondContact OE2-N 3.46Å; E87-A460 HydrophobicContact CG-CB 4.08Å |
| 88 | F | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.1 | 172.1 | -79.8 | -96.6 | 0 | 0 | 0 | 110.8 | Y62 R71 H72 G73 Q77 Y84 T92 F93 | Y62-F88 HydrophobicContact CD2-CE1 4.18Å; Y62-F88 HydrophobicContact CD2-CE2 4.42Å; Y62-F88 HydrophobicContact CD2-CZ 4.05Å; Y62-F88 AromaticContact CE2-CD1 3.9Å; Y62-F88 HydrophobicContact CE2-CD1 3.9Å; Y62-F88 AromaticContact CE2-CD2 3.75Å; Y62-F88 HydrophobicContact CE2-CD2 3.75Å; Y62-F88 AromaticContact CE2-CE1 3.75Å; Y62-F88 HydrophobicContact CE2-CE1 3.75Å; Y62-F88 AromaticContact CE2-CE2 3.61Å; Y62-F88 HydrophobicContact CE2-CE2 3.61Å; Y62-F88 AromaticContact CE2-CG 3.9Å; Y62-F88 HydrophobicContact CE2-CG 3.9Å; Y62-F88 AromaticContact CE2-CZ 3.61Å; Y62-F88 HydrophobicContact CE2-CZ 3.61Å; R71-F88 HydrophobicContact CB-CB 4.48Å; R71-F88 HydrophobicContact CB-CD1 3.92Å; R71-F88 HydrophobicContact CB-CG 4.4Å; H72-F88 CarbonylContact C-O 3.55Å; H72-F88 WeakPolarHBondContact CA-O 3.44Å; G73-F88 PolarHBondContact N-O 2.94Å; G73-F88 PolarHBondContact O-N 3.36Å; Q77-F88 HydrophobicContact CB-CE1 4.34Å; Q77-F88 HydrophobicContact CB-CZ 3.81Å; Y84-F88 HydrophobicContact CD1-CE1 4.46Å; Y84-F88 AromaticContact CD1-CE2 3.51Å; Y84-F88 HydrophobicContact CD1-CE2 3.51Å; Y84-F88 AromaticContact CD1-CZ 3.44Å; Y84-F88 HydrophobicContact CD1-CZ 3.44Å; Y84-F88 VanDerWaalsContact CD1-CZ 3.44Å; Y84-F88 HydrophobicContact CE1-CD2 4.14Å; Y84-F88 AromaticContact CE1-CE2 3.48Å; Y84-F88 HydrophobicContact CE1-CE2 3.48Å; Y84-F88 VanDerWaalsContact CE1-CE2 3.48Å; Y84-F88 AromaticContact CE1-CZ 3.75Å; Y84-F88 HydrophobicContact CE1-CZ 3.75Å; Y84-F88 HydrophobicContact CG-CZ 4.49Å; F88-T92 CarbonylContact C-O 3.55Å; F88-T92 WeakPolarHBondContact CA-O 3.24Å; F88-F93 HydrophobicContact CD1-CD1 4.28Å; F88-F93 AromaticContact CE1-CD1 3.59Å; F88-F93 HydrophobicContact CE1-CD1 3.59Å; F88-F93 AromaticContact CE1-CE1 3.83Å; F88-F93 HydrophobicContact CE1-CE1 3.83Å; F88-F93 AromaticContact CZ-CD1 3.83Å; F88-F93 HydrophobicContact CZ-CD1 3.83Å; F88-F93 AromaticContact CZ-CE1 3.93Å; F88-F93 HydrophobicContact CZ-CE1 3.93Å |
| 89 | N | 95.3 | Very high | 95.6 | Very high | 79 Ų | 79 | 40.1 Ų | 40.1 | 42% | 0.422 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 101 | 178 | -77.2 | -32.7 | 0 | 0 | 0 | 109.6 | G91 T92 G94 | N89-G91 PolarHBondContact O-N 2.78Å; N89-T92 PolarHBondContact N-O 3.32Å; N89-T92 PolarHBondContact O-N 3.5Å; N89-T92 VanDerWaalsContact O-N 3.08Å; N89-T92 PolarHBondContact O-OG1 3.03Å; N89-G94 WeakPolarHBondContact ND2-CA 3.49Å |
| 90 | S | 93.4 | Very high | 95.9 | Very high | 75 Ų | 75 | 37.9 Ų | 37.9 | 52% | 0.524 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 45.1 | 169.7 | -54.1 | 0 | 0 | 0 | 0 | 114.4 | K70 R71 | K70-S90 WeakPolarHBondContact CD-O 3.37Å; R71-S90 PolarHBondContact O-N 2.77Å |
| 91 | G | 91.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | -30.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | R71 N89 | R71-G91 PolarHBondContact NH1-O 2.97Å; R71-G91 PolarHBondContact NH2-O 3.46Å; R71-G91 PolarHBondContact O-N 2.87Å; N89-G91 PolarHBondContact O-N 2.78Å |
| 92 | T | 94.9 | Very high | 96.2 | Very high | 47 Ų | 47 | 32.2 Ų | 32.2 | 29% | 0.288 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 161 | 177.1 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | F88 N89 N115 | F88-T92 CarbonylContact C-O 3.55Å; F88-T92 WeakPolarHBondContact CA-O 3.24Å; N89-T92 PolarHBondContact N-O 3.32Å; N89-T92 PolarHBondContact O-N 3.5Å; N89-T92 VanDerWaalsContact O-N 3.08Å; N89-T92 PolarHBondContact O-OG1 3.03Å; T92-N115 VanDerWaalsContact CA-OD1 3.31Å; T92-N115 WeakPolarHBondContact CA-OD1 3.48Å; T92-N115 WeakPolarHBondContact CB-OD1 3.42Å |
| 93 | F | 96.9 | Very high | 96.1 | Very high | 25 Ų | 25 | 33.2 Ų | 33.2 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 141 | 167.4 | -59.9 | -26.6 | 0 | 0 | 0 | 110.8 | Y84 F88 W112 N115 | Y84-F93 AromaticContact CD1-CD1 3.65Å; Y84-F93 HydrophobicContact CD1-CD1 3.65Å; Y84-F93 AromaticContact CD1-CE1 3.74Å; Y84-F93 HydrophobicContact CD1-CE1 3.74Å; Y84-F93 HydrophobicContact CD1-CG 4.32Å; Y84-F93 HydrophobicContact CD1-CZ 4.45Å; Y84-F93 AromaticContact CD2-CD1 3.87Å; Y84-F93 HydrophobicContact CD2-CD1 3.87Å; Y84-F93 AromaticContact CD2-CD2 3.74Å; Y84-F93 HydrophobicContact CD2-CD2 3.74Å; Y84-F93 AromaticContact CD2-CE1 3.9Å; Y84-F93 HydrophobicContact CD2-CE1 3.9Å; Y84-F93 AromaticContact CD2-CE2 3.77Å; Y84-F93 HydrophobicContact CD2-CE2 3.77Å; Y84-F93 AromaticContact CD2-CG 3.82Å; Y84-F93 HydrophobicContact CD2-CG 3.82Å; Y84-F93 AromaticContact CD2-CZ 3.86Å; Y84-F93 HydrophobicContact CD2-CZ 3.86Å; Y84-F93 HydrophobicContact CE1-CB 4.37Å; Y84-F93 AromaticContact CE1-CD1 3.72Å; Y84-F93 HydrophobicContact CE1-CD1 3.72Å; Y84-F93 HydrophobicContact CE1-CE1 4.29Å; Y84-F93 HydrophobicContact CE1-CG 4.12Å; Y84-F93 HydrophobicContact CE2-CB 3.91Å; Y84-F93 AromaticContact CE2-CD1 3.92Å; Y84-F93 HydrophobicContact CE2-CD1 3.92Å; Y84-F93 AromaticContact CE2-CD2 3.75Å; Y84-F93 HydrophobicContact CE2-CD2 3.75Å; Y84-F93 HydrophobicContact CE2-CE1 4.42Å; Y84-F93 HydrophobicContact CE2-CE2 4.27Å; Y84-F93 AromaticContact CE2-CG 3.58Å; Y84-F93 HydrophobicContact CE2-CG 3.58Å; Y84-F93 AromaticContact CG-CD1 3.73Å; Y84-F93 HydrophobicContact CG-CD1 3.73Å; Y84-F93 HydrophobicContact CG-CD2 4.36Å; Y84-F93 AromaticContact CG-CE1 3.51Å; Y84-F93 HydrophobicContact CG-CE1 3.51Å; Y84-F93 HydrophobicContact CG-CE2 4.18Å; Y84-F93 HydrophobicContact CG-CG 4.18Å; Y84-F93 AromaticContact CG-CZ 3.76Å; Y84-F93 HydrophobicContact CG-CZ 3.76Å; Y84-F93 AromaticContact CZ-CD1 3.85Å; Y84-F93 AromaticContact CZ-CG 3.74Å; F88-F93 HydrophobicContact CD1-CD1 4.28Å; F88-F93 AromaticContact CE1-CD1 3.59Å; F88-F93 HydrophobicContact CE1-CD1 3.59Å; F88-F93 AromaticContact CE1-CE1 3.83Å; F88-F93 HydrophobicContact CE1-CE1 3.83Å; F88-F93 AromaticContact CZ-CD1 3.83Å; F88-F93 HydrophobicContact CZ-CD1 3.83Å; F88-F93 AromaticContact CZ-CE1 3.93Å; F88-F93 HydrophobicContact CZ-CE1 3.93Å; F93-W112 HydrophobicContact CB-CB 4.4Å; F93-W112 HydrophobicContact CD2-CD2 4.21Å; F93-W112 AromaticContact CD2-CE3 3.65Å; F93-W112 HydrophobicContact CD2-CE3 3.65Å; F93-W112 HydrophobicContact CD2-CH2 4.35Å; F93-W112 AromaticContact CD2-CZ3 3.73Å; F93-W112 HydrophobicContact CD2-CZ3 3.73Å; F93-W112 HydrophobicContact CE2-CE3 4.31Å; F93-W112 HydrophobicContact CE2-CH2 4.33Å; F93-W112 AromaticContact CE2-CZ3 3.91Å; F93-W112 HydrophobicContact CE2-CZ3 3.91Å; F93-N115 HydrophobicContact CD2-CB 4.06Å; F93-N115 HydrophobicContact CE2-CB 4.24Å; F93-N115 PolarHBondContact N-OD1 3.14Å |
| 94 | G | 94.9 | Very high | 96 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -158.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | E87 N89 W112 | E87-G94 PolarHBondContact O-N 3.27Å; N89-G94 WeakPolarHBondContact ND2-CA 3.49Å; G94-W112 WeakPolarHBondContact O-CB 3.47Å |
| 95 | Q | 96.2 | Very high | 95.7 | Very high | 89 Ų | 89 | 40.8 Ų | 40.8 | 42% | 0.416 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -31 | -176.7 | -174.3 | 59.2 | 97.6 | 0 | 0 | 112.1 | E87 S111 W112 | E87-Q95 WeakPolarHBondContact OE2-CA 3.43Å; E87-Q95 WeakPolarHBondContact OE2-CB 3.49Å; E87-Q95 PolarHBondContact OE2-N 2.94Å; Q95-S111 CarbonylContact O-C 3.53Å; Q95-S111 WeakPolarHBondContact O-CA 3.46Å; Q95-S111 WeakPolarHBondContact O-CB 3.42Å; Q95-W112 PolarHBondContact NE2-O 2.92Å; Q95-W112 PolarHBondContact O-N 3.48Å |
| 96 | Y | 98.3 | Very high | 95.7 | Very high | 32 Ų | 32 | 39.4 Ų | 39.4 | 13% | 0.125 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 141.5 | -177.6 | -57.5 | -81.3 | 0 | 0 | 0 | 113.2 | Y84 E87 K456 A460 | Y84-Y96 PolarHBondContact OH-O 2.92Å; E87-Y96 PolarHBondContact N-O 3.47Å; E87-Y96 PolarHBondContact OE2-N 3.46Å; Y96-K456 HydrophobicContact CD1-CB 3.63Å; Y96-K456 HydrophobicContact CD1-CD 4.1Å; Y96-K456 HydrophobicContact CD2-CB 4.19Å; Y96-K456 HydrophobicContact CD2-CD 3.93Å; Y96-K456 HydrophobicContact CE1-CB 3.99Å; Y96-K456 HydrophobicContact CE1-CD 3.67Å; Y96-K456 HydrophobicContact CE2-CD 3.49Å; Y96-K456 VanDerWaalsContact CE2-CD 3.49Å; Y96-K456 HydrophobicContact CG-CB 3.74Å; Y96-K456 HydrophobicContact CG-CD 4.21Å; Y96-K456 PolarHBondContact OH-NZ 2.87Å; Y96-A460 WeakPolarHBondContact O-CB 3.26Å |
| 97 | G | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.4 | 178.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q85 G110 W112 A457 | Q85-G97 CarbonylContact O-C 3.6Å; Q85-G97 WeakPolarHBondContact O-CA 3.38Å; G97-G110 PolarHBondContact N-O 2.93Å; G97-G110 PolarHBondContact O-N 2.87Å; G97-W112 PolarHBondContact O-NE1 2.8Å; G97-A457 WeakPolarHBondContact O-CB 3.32Å |
| 98 | V | 98.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 126.1 | -173.2 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | Y84 Q85 T100 K107 Y108 E109 A457 A461 | Y84-V98 CarbonylContact C-O 3.57Å; Y84-V98 VanDerWaalsContact CA-O 3.31Å; Y84-V98 WeakPolarHBondContact CA-O 3.47Å; Q85-V98 PolarHBondContact N-O 3.39Å; Q85-V98 PolarHBondContact O-N 3.26Å; V98-T100 WeakPolarHBondContact CG1-OG1 3.39Å; V98-K107 HydrophobicContact CG1-CD 4.38Å; V98-K107 HydrophobicContact CG1-CG 4.13Å; V98-Y108 CarbonylContact C-O 3.48Å; V98-Y108 WeakPolarHBondContact CA-O 3.43Å; V98-Y108 WeakPolarHBondContact CG1-O 3.41Å; V98-E109 HydrophobicContact CG1-CG 4.16Å; V98-E109 HydrophobicContact CG2-CB 4.48Å; V98-E109 HydrophobicContact CG2-CG 4.12Å; V98-A457 HydrophobicContact CG2-CB 4.14Å; V98-A461 HydrophobicContact CB-CB 4.23Å; V98-A461 HydrophobicContact CG2-CB 3.89Å |
| 99 | K | 98.2 | Very high | 95.7 | Very high | 19 Ų | 19 | 41 Ų | 41 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118.7 | 170.6 | -179.8 | 171.5 | 179.1 | 171.9 | 0 | 108.5 | W82 I83 Y84 K107 Y108 W112 D1270 | W82-K99 HydrophobicContact CB-CG 4.44Å; W82-K99 HydrophobicContact CD2-CD 4.42Å; W82-K99 HydrophobicContact CD2-CG 4.19Å; W82-K99 HydrophobicContact CE3-CD 4.24Å; W82-K99 HydrophobicContact CE3-CG 3.59Å; W82-K99 VanDerWaalsContact CG-CE 3.48Å; W82-K99 HydrophobicContact CZ3-CG 4.18Å; I83-K99 CarbonylContact O-C 3.56Å; I83-K99 VanDerWaalsContact O-CA 3.32Å; I83-K99 WeakPolarHBondContact O-CA 3.39Å; Y84-K99 HydrophobicContact CD2-CB 4.43Å; K99-K107 CarbonylContact O-C 3.6Å; K99-K107 WeakPolarHBondContact O-CA 3.3Å; K99-Y108 PolarHBondContact N-O 3.41Å; K99-Y108 PolarHBondContact O-N 2.95Å; K99-W112 HydrophobicContact CB-CH2 3.48Å; K99-W112 VanDerWaalsContact CB-CH2 3.48Å; K99-W112 HydrophobicContact CB-CZ2 3.58Å; K99-W112 HydrophobicContact CD-CH2 3.79Å; K99-W112 HydrophobicContact CG-CH2 4.23Å; K99-D1270 IonicContact NZ-OD1 3.47Å; K99-D1270 PolarHBondContact NZ-OD1 3.04Å; K99-D1270 IonicContact NZ-OD2 3.48Å; K99-D1270 PolarHBondContact NZ-OD2 2.99Å |
| 100 | T | 97.6 | Very high | 95.8 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 20% | 0.202 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.3 | -175.9 | -46.5 | 0 | 0 | 0 | 0 | 110 | W82 I83 V98 K107 | W82-T100 VanDerWaalsContact CE3-C 3.42Å; I83-T100 PolarHBondContact N-O 2.97Å; I83-T100 PolarHBondContact O-N 3.23Å; V98-T100 WeakPolarHBondContact CG1-OG1 3.39Å; T100-K107 HydrophobicContact CG2-CB 4.5Å; T100-K107 HydrophobicContact CG2-CD 4.48Å; T100-K107 HydrophobicContact CG2-CG 4.2Å |
| 101 | S | 95.6 | Very high | 96 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 142.7 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | N103 S104 A106 | S101-N103 PolarHBondContact OG-N 3.26Å; S101-N103 PolarHBondContact OG-OD1 3.43Å; S101-S104 VanDerWaalsContact CB-OG 3.24Å; S101-S104 WeakPolarHBondContact CB-OG 3.33Å; S101-S104 PolarHBondContact OG-N 3.07Å; S101-S104 PolarHBondContact OG-OG 2.8Å; S101-A106 WeakPolarHBondContact CB-O 3.41Å; S101-A106 PolarHBondContact N-O 2.95Å |
| 102 | M | 90.6 | Very high | 96.3 | Very high | 30 Ų | 30 | 33.9 Ų | 33.9 | 15% | 0.148 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -77.6 | -28.8 | 174.2 | -66.4 | 176.4 | 170.5 | 0 | 0 | 112.8 | V78 K81 I83 I504 | V78-M102 HydrophobicContact CB-CE 4.24Å; V78-M102 HydrophobicContact CG1-CE 3.49Å; V78-M102 VanDerWaalsContact CG1-CE 3.49Å; V78-M102 HydrophobicContact CG2-CE 3.84Å; K81-M102 PolarHBondContact O-N 2.96Å; I83-M102 HydrophobicContact CD1-CE 4Å; I83-M102 HydrophobicContact CD1-CG 4.05Å; I83-M102 HydrophobicContact CG1-CE 3.46Å; I83-M102 VanDerWaalsContact CG1-CE 3.46Å; I83-M102 HydrophobicContact CG1-CG 3.85Å; M102-I504 HydrophobicContact CE-CD1 3.68Å; M102-I504 HydrophobicContact CE-CG1 3.62Å; M102-I504 HydrophobicContact SD-CD1 4.4Å; M102-I504 HydrophobicContact SD-CG1 3.73Å |
| 103 | N | 92.5 | Very high | 96.2 | Very high | 111 Ų | 111 | 34.4 Ų | 34.4 | 59% | 0.594 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -114.8 | 8.6 | -167.7 | 71 | -64.7 | 0 | 0 | 0 | 113.6 | S101 | S101-N103 PolarHBondContact OG-N 3.26Å; S101-N103 PolarHBondContact OG-OD1 3.43Å |
| 104 | S | 93.6 | Very high | 96 | Very high | 44 Ų | 44 | 39.4 Ų | 39.4 | 31% | 0.308 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -159.4 | 167 | 177.8 | 72.3 | 0 | 0 | 0 | 0 | 110.9 | S101 A106 | S101-S104 VanDerWaalsContact CB-OG 3.24Å; S101-S104 WeakPolarHBondContact CB-OG 3.33Å; S101-S104 PolarHBondContact OG-N 3.07Å; S101-S104 PolarHBondContact OG-OG 2.8Å; S104-A106 PolarHBondContact O-N 2.86Å; S104-A106 VanDerWaalsContact O-N 3.12Å; S104-A106 WeakPolarHBondContact OG-CB 3.32Å; S104-A106 PolarHBondContact OG-N 2.92Å |
| 105 | Q | 92.9 | Very high | 96 | Very high | 155 Ų | 155 | 41.1 Ų | 41.1 | 72% | 0.724 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -74.5 | 8.5 | 174.3 | -63.9 | -174.9 | -19.9 | 0 | 0 | 113.8 | K107 | Q105-K107 PolarHBondContact O-N 2.86Š|
| 106 | A | 96.9 | Very high | 95.9 | Very high | 11 Ų | 11 | 42 Ų | 42 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | trans | -66.7 | 128 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W82 S101 S104 T124 A126 | W82-A106 HydrophobicContact CH2-CB 3.92Å; W82-A106 HydrophobicContact CZ3-CB 4.43Å; S101-A106 WeakPolarHBondContact CB-O 3.41Å; S101-A106 PolarHBondContact N-O 2.95Å; S104-A106 PolarHBondContact O-N 2.86Å; S104-A106 VanDerWaalsContact O-N 3.12Å; S104-A106 WeakPolarHBondContact OG-CB 3.32Å; S104-A106 PolarHBondContact OG-N 2.92Å; A106-T124 CarbonylContact C-O 3.55Å; A106-T124 VanDerWaalsContact CA-O 3.28Å; A106-T124 WeakPolarHBondContact CA-O 3.29Å; A106-A126 HydrophobicContact CB-CB 4.21Å | ||
| 107 | K | 97.8 | Very high | 95.8 | Very high | 67 Ų | 67 | 42.1 Ų | 42.1 | 29% | 0.291 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 144.8 | -170.3 | -165.8 | 179.6 | -170.5 | -168.9 | 0 | 111.8 | V98 K99 T100 Q105 E109 E123 T124 | V98-K107 HydrophobicContact CG1-CD 4.38Å; V98-K107 HydrophobicContact CG1-CG 4.13Å; K99-K107 CarbonylContact O-C 3.6Å; K99-K107 WeakPolarHBondContact O-CA 3.3Å; T100-K107 HydrophobicContact CG2-CB 4.5Å; T100-K107 HydrophobicContact CG2-CD 4.48Å; T100-K107 HydrophobicContact CG2-CG 4.2Å; Q105-K107 PolarHBondContact O-N 2.86Å; K107-E109 HydrophobicContact CD-CG 4.18Å; K107-E109 VanDerWaalsContact CE-OE1 3.23Å; K107-E109 WeakPolarHBondContact CE-OE1 3.48Å; K107-E109 HydrophobicContact CG-CG 4.34Å; K107-E109 IonicContact NZ-OE1 3.89Å; K107-E109 PolarHBondContact NZ-OE1 2.79Å; K107-E123 CarbonylContact O-C 3.35Å; K107-E123 WeakPolarHBondContact O-CA 3.45Å; K107-T124 PolarHBondContact N-O 3.39Å; K107-T124 PolarHBondContact O-N 3.12Å |
| 108 | Y | 98.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 130.4 | 166 | -177.4 | -92.8 | 0 | 0 | 0 | 110.5 | V98 K99 S111 W112 F117 I122 E123 W135 | V98-Y108 CarbonylContact C-O 3.48Å; V98-Y108 WeakPolarHBondContact CA-O 3.43Å; V98-Y108 WeakPolarHBondContact CG1-O 3.41Å; K99-Y108 PolarHBondContact N-O 3.41Å; K99-Y108 PolarHBondContact O-N 2.95Å; Y108-S111 PolarHBondContact OH-O 2.99Å; Y108-W112 AromaticContact CD1-CE2 3.69Å; Y108-W112 HydrophobicContact CD1-CH2 4.27Å; Y108-W112 AromaticContact CD1-CZ2 3.49Å; Y108-W112 HydrophobicContact CD1-CZ2 3.49Å; Y108-W112 VanDerWaalsContact CD1-CZ2 3.49Å; Y108-W112 AromaticContact CD1-NE1 3.84Å; Y108-W112 HydrophobicContact CE1-CD2 4.46Å; Y108-W112 AromaticContact CE1-CE2 3.86Å; Y108-W112 HydrophobicContact CE1-CZ2 4.12Å; Y108-W112 AromaticContact CE1-NE1 3.79Å; Y108-W112 HydrophobicContact CG-CZ2 4.34Å; Y108-F117 VanDerWaalsContact CB-CE1 3.5Å; Y108-F117 AromaticContact CD1-CD1 3.53Å; Y108-F117 HydrophobicContact CD1-CD1 3.53Å; Y108-F117 AromaticContact CD1-CE1 3.61Å; Y108-F117 HydrophobicContact CD1-CE1 3.61Å; Y108-F117 HydrophobicContact CD1-CG 4.46Å; Y108-F117 AromaticContact CD2-CD1 3.53Å; Y108-F117 HydrophobicContact CD2-CD1 3.53Å; Y108-F117 HydrophobicContact CD2-CD2 4.04Å; Y108-F117 AromaticContact CD2-CE1 3.52Å; Y108-F117 HydrophobicContact CD2-CE1 3.52Å; Y108-F117 HydrophobicContact CD2-CE2 4.03Å; Y108-F117 AromaticContact CD2-CG 3.8Å; Y108-F117 HydrophobicContact CD2-CG 3.8Å; Y108-F117 AromaticContact CD2-CZ 3.78Å; Y108-F117 HydrophobicContact CD2-CZ 3.78Å; Y108-F117 HydrophobicContact CE1-CB 4.45Å; Y108-F117 AromaticContact CE1-CD1 3.59Å; Y108-F117 HydrophobicContact CE1-CD1 3.59Å; Y108-F117 HydrophobicContact CE1-CE1 4.17Å; Y108-F117 HydrophobicContact CE1-CG 4.25Å; Y108-F117 HydrophobicContact CE2-CB 3.82Å; Y108-F117 AromaticContact CE2-CD1 3.58Å; Y108-F117 HydrophobicContact CE2-CD1 3.58Å; Y108-F117 HydrophobicContact CE2-CD2 4.03Å; Y108-F117 HydrophobicContact CE2-CE1 4.09Å; Y108-F117 HydrophobicContact CE2-CE2 4.48Å; Y108-F117 AromaticContact CE2-CG 3.55Å; Y108-F117 HydrophobicContact CE2-CG 3.55Å; Y108-F117 AromaticContact CG-CD1 3.49Å; Y108-F117 HydrophobicContact CG-CD1 3.49Å; Y108-F117 VanDerWaalsContact CG-CD1 3.49Å; Y108-F117 AromaticContact CG-CE1 3.23Å; Y108-F117 HydrophobicContact CG-CE1 3.23Å; Y108-F117 HydrophobicContact CG-CG 4.25Å; Y108-F117 AromaticContact CG-CZ 3.81Å; Y108-F117 HydrophobicContact CG-CZ 3.81Å; Y108-F117 AromaticContact CZ-CD1 3.61Å; Y108-F117 AromaticContact CZ-CG 3.79Å; Y108-I122 CarbonylContact C-O 3.6Å; Y108-I122 WeakPolarHBondContact CA-O 3.29Å; Y108-E123 HydrophobicContact CD2-CB 4.4Å; Y108-W135 HydrophobicContact CD2-CZ2 4.42Å; Y108-W135 HydrophobicContact CE2-CD2 4.13Å; Y108-W135 AromaticContact CE2-CE2 3.68Å; Y108-W135 HydrophobicContact CE2-CG 4.38Å; Y108-W135 AromaticContact CE2-CZ2 4Å; Y108-W135 HydrophobicContact CE2-CZ2 4Å; Y108-W135 AromaticContact CE2-NE1 3.66Å |
| 109 | E | 98 | Very high | 95.6 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 106.1 | 173.6 | -59.8 | -179.3 | -177.5 | 0 | 0 | 109.5 | V98 K107 G121 I122 A457 R458 | V98-E109 HydrophobicContact CG1-CG 4.16Å; V98-E109 HydrophobicContact CG2-CB 4.48Å; V98-E109 HydrophobicContact CG2-CG 4.12Å; K107-E109 HydrophobicContact CD-CG 4.18Å; K107-E109 VanDerWaalsContact CE-OE1 3.23Å; K107-E109 WeakPolarHBondContact CE-OE1 3.48Å; K107-E109 HydrophobicContact CG-CG 4.34Å; K107-E109 IonicContact NZ-OE1 3.89Å; K107-E109 PolarHBondContact NZ-OE1 2.79Å; E109-G121 CarbonylContact O-C 3.52Å; E109-G121 VanDerWaalsContact O-CA 3.27Å; E109-G121 WeakPolarHBondContact O-CA 3.44Å; E109-I122 PolarHBondContact N-O 3.25Å; E109-I122 PolarHBondContact O-N 3.16Å; E109-A457 HydrophobicContact CB-CB 4.48Å; E109-R458 IonicContact OE1-NE 3.76Å; E109-R458 IonicContact OE1-NH2 3.81Å; E109-R458 IonicContact OE2-CZ 2.69Å; E109-R458 IonicContact OE2-NE 3.31Å; E109-R458 PolarHBondContact OE2-NE 3.04Å; E109-R458 IonicContact OE2-NH2 3.4Å; E109-R458 PolarHBondContact OE2-NH2 3.3Å |
| 110 | G | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | -157.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | G97 F120 A457 | G97-G110 PolarHBondContact N-O 2.93Å; G97-G110 PolarHBondContact O-N 2.87Å; G110-F120 WeakPolarHBondContact CA-O 3.43Å; G110-A457 VanDerWaalsContact N-CB 3.33Å |
| 111 | S | 97.2 | Very high | 95.5 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 150.6 | 176.9 | 46.5 | 0 | 0 | 0 | 0 | 113.5 | Q95 Y108 E118 F120 | Q95-S111 CarbonylContact O-C 3.53Å; Q95-S111 WeakPolarHBondContact O-CA 3.46Å; Q95-S111 WeakPolarHBondContact O-CB 3.42Å; Y108-S111 PolarHBondContact OH-O 2.99Å; S111-E118 CarbonylContact C-O 3.43Å; S111-E118 WeakPolarHBondContact CB-O 3.47Å; S111-E118 PolarHBondContact O-N 2.87Å; S111-E118 VanDerWaalsContact O-N 3.08Å; S111-E118 PolarHBondContact OG-O 3.03Å; S111-F120 PolarHBondContact N-O 3.27Å; S111-F120 VanDerWaalsContact N-O 3.09Å; S111-F120 PolarHBondContact OG-N 3.1Å; S111-F120 PolarHBondContact OG-O 2.89Å; S111-F120 VanDerWaalsContact OG-O 3.11Å |
| 112 | W | 97.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 157.8 | -172.8 | -63.3 | 81.6 | 0 | 0 | 0 | 112.1 | Y84 F93 G94 Q95 G97 K99 Y108 N115 R116 F117 | Y84-W112 HydrophobicContact CD2-CH2 4.21Å; Y84-W112 AromaticContact CD2-CZ2 3.87Å; Y84-W112 HydrophobicContact CD2-CZ2 3.87Å; Y84-W112 HydrophobicContact CE2-CD2 4.01Å; Y84-W112 AromaticContact CE2-CE2 3.59Å; Y84-W112 HydrophobicContact CE2-CG 4.33Å; Y84-W112 HydrophobicContact CE2-CH2 4.42Å; Y84-W112 AromaticContact CE2-CZ2 3.81Å; Y84-W112 HydrophobicContact CE2-CZ2 3.81Å; Y84-W112 AromaticContact CE2-NE1 3.73Å; F93-W112 HydrophobicContact CB-CB 4.4Å; F93-W112 HydrophobicContact CD2-CD2 4.21Å; F93-W112 AromaticContact CD2-CE3 3.65Å; F93-W112 HydrophobicContact CD2-CE3 3.65Å; F93-W112 HydrophobicContact CD2-CH2 4.35Å; F93-W112 AromaticContact CD2-CZ3 3.73Å; F93-W112 HydrophobicContact CD2-CZ3 3.73Å; F93-W112 HydrophobicContact CE2-CE3 4.31Å; F93-W112 HydrophobicContact CE2-CH2 4.33Å; F93-W112 AromaticContact CE2-CZ3 3.91Å; F93-W112 HydrophobicContact CE2-CZ3 3.91Å; G94-W112 WeakPolarHBondContact O-CB 3.47Å; Q95-W112 PolarHBondContact NE2-O 2.92Å; Q95-W112 PolarHBondContact O-N 3.48Å; G97-W112 PolarHBondContact O-NE1 2.8Å; K99-W112 HydrophobicContact CB-CH2 3.48Å; K99-W112 VanDerWaalsContact CB-CH2 3.48Å; K99-W112 HydrophobicContact CB-CZ2 3.58Å; K99-W112 HydrophobicContact CD-CH2 3.79Å; K99-W112 HydrophobicContact CG-CH2 4.23Å; Y108-W112 AromaticContact CD1-CE2 3.69Å; Y108-W112 HydrophobicContact CD1-CH2 4.27Å; Y108-W112 AromaticContact CD1-CZ2 3.49Å; Y108-W112 HydrophobicContact CD1-CZ2 3.49Å; Y108-W112 VanDerWaalsContact CD1-CZ2 3.49Å; Y108-W112 AromaticContact CD1-NE1 3.84Å; Y108-W112 HydrophobicContact CE1-CD2 4.46Å; Y108-W112 AromaticContact CE1-CE2 3.86Å; Y108-W112 HydrophobicContact CE1-CZ2 4.12Å; Y108-W112 AromaticContact CE1-NE1 3.79Å; Y108-W112 HydrophobicContact CG-CZ2 4.34Å; W112-N115 WeakPolarHBondContact CZ3-O 3.49Å; W112-R116 CarbonylContact C-O 3.57Å; W112-R116 WeakPolarHBondContact CA-O 3.35Å; W112-F117 HydrophobicContact CE3-CD1 4.11Å; W112-F117 AromaticContact CH2-CD1 3.75Å; W112-F117 HydrophobicContact CH2-CD1 3.75Å; W112-F117 AromaticContact CH2-CE1 3.41Å; W112-F117 HydrophobicContact CH2-CE1 3.41Å; W112-F117 VanDerWaalsContact CH2-CE1 3.41Å; W112-F117 HydrophobicContact CZ2-CD1 4.16Å; W112-F117 AromaticContact CZ2-CE1 3.97Å; W112-F117 HydrophobicContact CZ2-CE1 3.97Å; W112-F117 AromaticContact CZ3-CD1 3.71Å; W112-F117 HydrophobicContact CZ3-CD1 3.71Å; W112-F117 AromaticContact CZ3-CE1 3.75Å; W112-F117 HydrophobicContact CZ3-CE1 3.75Å |
| 113 | S | 93.8 | Very high | 95.9 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 129.7 | 167 | -164.5 | 0 | 0 | 0 | 0 | 109.7 | N115 R116 | S113-N115 VanDerWaalsContact C-N 3.32Å; S113-N115 PolarHBondContact O-N 3.18Å; S113-R116 PolarHBondContact N-O 2.96Å; S113-R116 PolarHBondContact O-N 3.1Å |
| 114 | L | 92.5 | Very high | 96.1 | Very high | 131 Ų | 131 | 42.9 Ų | 42.9 | 69% | 0.686 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 53.6 | -179.1 | -57 | 176.1 | 0 | 0 | 0 | 112 | R116 | L114-R116 PolarHBondContact O-N 3.08Š|
| 115 | N | 93.3 | Very high | 96.1 | Very high | 39 Ų | 39 | 41.7 Ų | 41.7 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 5.7 | -177.5 | -54.6 | -19.3 | 0 | 0 | 0 | 116.4 | T92 F93 W112 S113 | T92-N115 VanDerWaalsContact CA-OD1 3.31Å; T92-N115 WeakPolarHBondContact CA-OD1 3.48Å; T92-N115 WeakPolarHBondContact CB-OD1 3.42Å; F93-N115 HydrophobicContact CD2-CB 4.06Å; F93-N115 HydrophobicContact CE2-CB 4.24Å; F93-N115 PolarHBondContact N-OD1 3.14Å; W112-N115 WeakPolarHBondContact CZ3-O 3.49Å; S113-N115 VanDerWaalsContact C-N 3.32Å; S113-N115 PolarHBondContact O-N 3.18Å |
| 116 | R | 94.9 | Very high | 96.1 | Very high | 107 Ų | 107 | 37.3 Ų | 37.3 | 40% | 0.404 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 157.6 | -177.6 | -63.7 | 174 | -171.5 | -170 | 1 | 112.6 | W112 S113 L114 E118 T1271 | W112-R116 CarbonylContact C-O 3.57Å; W112-R116 WeakPolarHBondContact CA-O 3.35Å; S113-R116 PolarHBondContact N-O 2.96Å; S113-R116 PolarHBondContact O-N 3.1Å; L114-R116 PolarHBondContact O-N 3.08Å; R116-E118 PolarHBondContact O-N 2.96Å; R116-T1271 VanDerWaalsContact NH2-CG2 3.3Å |
| 117 | F | 95.9 | Very high | 95.9 | Very high | 35 Ų | 35 | 41 Ų | 41 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 129.2 | 174.1 | -49.1 | -36.5 | 0 | 0 | 0 | 111.2 | Y108 W112 W135 G138 | Y108-F117 VanDerWaalsContact CB-CE1 3.5Å; Y108-F117 AromaticContact CD1-CD1 3.53Å; Y108-F117 HydrophobicContact CD1-CD1 3.53Å; Y108-F117 AromaticContact CD1-CE1 3.61Å; Y108-F117 HydrophobicContact CD1-CE1 3.61Å; Y108-F117 HydrophobicContact CD1-CG 4.46Å; Y108-F117 AromaticContact CD2-CD1 3.53Å; Y108-F117 HydrophobicContact CD2-CD1 3.53Å; Y108-F117 HydrophobicContact CD2-CD2 4.04Å; Y108-F117 AromaticContact CD2-CE1 3.52Å; Y108-F117 HydrophobicContact CD2-CE1 3.52Å; Y108-F117 HydrophobicContact CD2-CE2 4.03Å; Y108-F117 AromaticContact CD2-CG 3.8Å; Y108-F117 HydrophobicContact CD2-CG 3.8Å; Y108-F117 AromaticContact CD2-CZ 3.78Å; Y108-F117 HydrophobicContact CD2-CZ 3.78Å; Y108-F117 HydrophobicContact CE1-CB 4.45Å; Y108-F117 AromaticContact CE1-CD1 3.59Å; Y108-F117 HydrophobicContact CE1-CD1 3.59Å; Y108-F117 HydrophobicContact CE1-CE1 4.17Å; Y108-F117 HydrophobicContact CE1-CG 4.25Å; Y108-F117 HydrophobicContact CE2-CB 3.82Å; Y108-F117 AromaticContact CE2-CD1 3.58Å; Y108-F117 HydrophobicContact CE2-CD1 3.58Å; Y108-F117 HydrophobicContact CE2-CD2 4.03Å; Y108-F117 HydrophobicContact CE2-CE1 4.09Å; Y108-F117 HydrophobicContact CE2-CE2 4.48Å; Y108-F117 AromaticContact CE2-CG 3.55Å; Y108-F117 HydrophobicContact CE2-CG 3.55Å; Y108-F117 AromaticContact CG-CD1 3.49Å; Y108-F117 HydrophobicContact CG-CD1 3.49Å; Y108-F117 VanDerWaalsContact CG-CD1 3.49Å; Y108-F117 AromaticContact CG-CE1 3.23Å; Y108-F117 HydrophobicContact CG-CE1 3.23Å; Y108-F117 HydrophobicContact CG-CG 4.25Å; Y108-F117 AromaticContact CG-CZ 3.81Å; Y108-F117 HydrophobicContact CG-CZ 3.81Å; Y108-F117 AromaticContact CZ-CD1 3.61Å; Y108-F117 AromaticContact CZ-CG 3.79Å; W112-F117 HydrophobicContact CE3-CD1 4.11Å; W112-F117 AromaticContact CH2-CD1 3.75Å; W112-F117 HydrophobicContact CH2-CD1 3.75Å; W112-F117 AromaticContact CH2-CE1 3.41Å; W112-F117 HydrophobicContact CH2-CE1 3.41Å; W112-F117 VanDerWaalsContact CH2-CE1 3.41Å; W112-F117 HydrophobicContact CZ2-CD1 4.16Å; W112-F117 AromaticContact CZ2-CE1 3.97Å; W112-F117 HydrophobicContact CZ2-CE1 3.97Å; W112-F117 AromaticContact CZ3-CD1 3.71Å; W112-F117 HydrophobicContact CZ3-CD1 3.71Å; W112-F117 AromaticContact CZ3-CE1 3.75Å; W112-F117 HydrophobicContact CZ3-CE1 3.75Å; F117-W135 HydrophobicContact CB-CB 4.18Å; F117-W135 HydrophobicContact CB-CD2 3.89Å; F117-W135 HydrophobicContact CB-CE3 3.72Å; F117-W135 HydrophobicContact CB-CG 4.1Å; F117-W135 HydrophobicContact CB-CZ3 4.38Å; F117-W135 HydrophobicContact CD2-CD2 4.41Å; F117-W135 AromaticContact CD2-CE3 3.77Å; F117-W135 HydrophobicContact CD2-CE3 3.77Å; F117-W135 AromaticContact CD2-CH2 3.98Å; F117-W135 HydrophobicContact CD2-CH2 3.98Å; F117-W135 AromaticContact CD2-CZ3 3.53Å; F117-W135 HydrophobicContact CD2-CZ3 3.53Å; F117-W135 HydrophobicContact CE2-CH2 4.37Å; F117-W135 HydrophobicContact CE2-CZ3 4.26Å; F117-W135 HydrophobicContact CG-CE3 4.2Å; F117-W135 HydrophobicContact CG-CZ3 4.39Å; F117-G138 WeakPolarHBondContact O-CA 3.44Å; F117-G138 PolarHBondContact O-N 3.47Å |
| 118 | E | 96.5 | Very high | 95.5 | Very high | 53 Ų | 53 | 38.7 Ų | 38.7 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 160.9 | -177.7 | -170.1 | 64.1 | -130.8 | 0 | 0 | 110.1 | S111 R116 F120 W135 S136 K137 | S111-E118 CarbonylContact C-O 3.43Å; S111-E118 WeakPolarHBondContact CB-O 3.47Å; S111-E118 PolarHBondContact O-N 2.87Å; S111-E118 VanDerWaalsContact O-N 3.08Å; S111-E118 PolarHBondContact OG-O 3.03Å; R116-E118 PolarHBondContact O-N 2.96Å; E118-F120 PolarHBondContact O-N 3.43Å; E118-F120 VanDerWaalsContact O-N 3.15Å; E118-W135 CarbonylContact C-O 3.55Å; E118-S136 WeakPolarHBondContact OE1-CA 3.31Å; E118-S136 WeakPolarHBondContact OE1-CB 3.39Å; E118-S136 PolarHBondContact OE1-OG 2.93Å; E118-S136 WeakPolarHBondContact OE2-CA 3.37Å; E118-S136 PolarHBondContact OE2-OG 3.3Å; E118-K137 PolarHBondContact OE2-N 3.47Å |
| 119 | G | 95.5 | Very high | 95.3 | Very high | 28 Ų | 28 | 38.6 Ų | 38.6 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.4 | -107.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A134 W135 | G119-A134 CarbonylContact O-C 3.51Å; G119-A134 WeakPolarHBondContact O-CA 3.34Å; G119-A134 WeakPolarHBondContact O-CB 3.32Å; G119-W135 PolarHBondContact N-O 3.21Å; G119-W135 PolarHBondContact O-N 3.34Å |
| 120 | F | 96.9 | Very high | 95.2 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 13% | 0.127 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 144.3 | 176.6 | -70.7 | -96.1 | 0 | 0 | 0 | 111.9 | G110 S111 E118 G133 A134 Y445 N449 S453 | G110-F120 WeakPolarHBondContact CA-O 3.43Å; S111-F120 PolarHBondContact N-O 3.27Å; S111-F120 VanDerWaalsContact N-O 3.09Å; S111-F120 PolarHBondContact OG-N 3.1Å; S111-F120 PolarHBondContact OG-O 2.89Å; S111-F120 VanDerWaalsContact OG-O 3.11Å; E118-F120 PolarHBondContact O-N 3.43Å; E118-F120 VanDerWaalsContact O-N 3.15Å; F120-G133 WeakPolarHBondContact CA-O 3.17Å; F120-A134 HydrophobicContact CD1-CB 3.88Å; F120-A134 HydrophobicContact CE1-CB 3.67Å; F120-A134 HydrophobicContact CG-CB 4.41Å; F120-A134 HydrophobicContact CZ-CB 4.03Å; F120-Y445 HydrophobicContact CZ-CE1 4.13Å; F120-N449 HydrophobicContact CD1-CB 4.06Å; F120-N449 HydrophobicContact CD2-CB 3.49Å; F120-N449 VanDerWaalsContact CD2-CB 3.49Å; F120-N449 HydrophobicContact CE1-CB 4.06Å; F120-N449 HydrophobicContact CE2-CB 3.49Å; F120-N449 VanDerWaalsContact CE2-CB 3.49Å; F120-N449 HydrophobicContact CG-CB 3.78Å; F120-N449 HydrophobicContact CZ-CB 3.79Å; F120-S453 WeakPolarHBondContact O-CB 3.32Å |
| 121 | G | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.3 | 164.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E109 G133 W135 L450 | E109-G121 CarbonylContact O-C 3.52Å; E109-G121 VanDerWaalsContact O-CA 3.27Å; E109-G121 WeakPolarHBondContact O-CA 3.44Å; G121-G133 PolarHBondContact N-O 3.21Å; G121-G133 PolarHBondContact O-N 3.34Å; G121-W135 PolarHBondContact O-NE1 3.44Å; G121-W135 VanDerWaalsContact O-NE1 3.13Å; G121-L450 WeakPolarHBondContact O-CD1 3.38Å |
| 122 | I | 96.8 | Very high | 95.1 | Very high | 39 Ų | 39 | 41 Ų | 41 | 20% | 0.2 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.4 | 175.7 | -55.7 | 172.3 | 0 | 0 | 0 | 108.2 | Y108 E109 I130 Y131 A132 L450 A454 | Y108-I122 CarbonylContact C-O 3.6Å; Y108-I122 WeakPolarHBondContact CA-O 3.29Å; E109-I122 PolarHBondContact N-O 3.25Å; E109-I122 PolarHBondContact O-N 3.16Å; I122-I130 HydrophobicContact CG2-CG2 3.94Å; I122-Y131 CarbonylContact C-O 3.55Å; I122-Y131 WeakPolarHBondContact CA-O 3.47Å; I122-A132 HydrophobicContact CG1-CB 4.21Å; I122-L450 HydrophobicContact CG1-CD1 3.69Å; I122-L450 HydrophobicContact CG1-CG 4.34Å; I122-A454 HydrophobicContact CD1-CB 3.8Å; I122-A454 HydrophobicContact CG1-CB 4.3Å |
| 123 | E | 97.7 | Very high | 95 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 17% | 0.168 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.6 | 166 | 167 | -163.3 | -156.1 | 0 | 0 | 108 | K107 Y108 C125 I130 Y131 W135 R140 | K107-E123 CarbonylContact O-C 3.35Å; K107-E123 WeakPolarHBondContact O-CA 3.45Å; Y108-E123 HydrophobicContact CD2-CB 4.4Å; E123-C125 VanDerWaalsContact CD-SG 3.51Å; E123-C125 PolarHBondContact OE1-SG 3.42Å; E123-I130 CarbonylContact O-C 3.38Å; E123-I130 VanDerWaalsContact O-CA 3.24Å; E123-I130 WeakPolarHBondContact O-CA 3.33Å; E123-Y131 PolarHBondContact N-O 3.49Å; E123-Y131 PolarHBondContact O-N 3.06Å; E123-Y131 WeakPolarHBondContact OE2-CB 3.47Å; E123-W135 HydrophobicContact CB-CH2 4.08Å; E123-W135 HydrophobicContact CB-CZ2 3.68Å; E123-R140 IonicContact OE2-NH1 2.69Å; E123-R140 PolarHBondContact OE2-NH1 3.34Å |
| 124 | T | 96.8 | Very high | 95 | Very high | 36 Ų | 36 | 38.6 Ų | 38.6 | 22% | 0.221 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.6 | 157.8 | -57 | 0 | 0 | 0 | 0 | 107.2 | A106 K107 S129 I130 | A106-T124 CarbonylContact C-O 3.55Å; A106-T124 VanDerWaalsContact CA-O 3.28Å; A106-T124 WeakPolarHBondContact CA-O 3.29Å; K107-T124 PolarHBondContact N-O 3.39Å; K107-T124 PolarHBondContact O-N 3.12Å; T124-S129 CarbonylContact C-O 3.51Å; T124-S129 WeakPolarHBondContact CA-O 3.3Å; T124-I130 HydrophobicContact CG2-CG1 4.37Å |
| 125 | C | 94.7 | Very high | 95.3 | Very high | 20 Ų | 20 | 32.9 Ų | 32.9 | 14% | 0.135 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -83.4 | 163.9 | 174.4 | -55.1 | 0 | 0 | 0 | 0 | 110.2 | E123 D127 G128 S129 | E123-C125 VanDerWaalsContact CD-SG 3.51Å; E123-C125 PolarHBondContact OE1-SG 3.42Å; C125-D127 WeakPolarHBondContact CB-OD1 3.47Å; C125-D127 PolarHBondContact O-N 3.25Å; C125-G128 PolarHBondContact O-N 3.24Å; C125-S129 PolarHBondContact N-O 2.74Å |
| 126 | A | 93.3 | Very high | 95.4 | Very high | 63 Ų | 63 | 32.8 Ų | 32.8 | 52% | 0.521 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A106 G128 | A106-A126 HydrophobicContact CB-CB 4.21Å; A126-G128 VanDerWaalsContact C-N 3.29Å |
| 127 | D | 90.8 | Very high | 95.4 | Very high | 87 Ų | 87 | 35 Ų | 35 | 47% | 0.465 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 1.4 | 173.9 | 70.7 | -36 | 0 | 0 | 0 | 113.4 | C125 S129 F149 | C125-D127 WeakPolarHBondContact CB-OD1 3.47Å; C125-D127 PolarHBondContact O-N 3.25Å; D127-S129 VanDerWaalsContact C-N 3.26Å; D127-S129 PolarHBondContact O-N 2.88Å; D127-S129 WeakPolarHBondContact OD1-CB 3.45Å; D127-S129 PolarHBondContact OD1-N 3.01Å; D127-S129 PolarHBondContact OD1-OG 3.43Å; D127-S129 VanDerWaalsContact OD2-CB 3.31Å; D127-S129 WeakPolarHBondContact OD2-CB 3.31Å; D127-S129 PolarHBondContact OD2-OG 2.84Å; D127-F149 WeakPolarHBondContact O-CE2 3.4Å |
| 128 | G | 90.8 | Very high | 95.4 | Very high | 20 Ų | 20 | 33.4 Ų | 33.4 | 21% | 0.206 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 75.2 | 8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | C125 A126 | C125-G128 PolarHBondContact O-N 3.24Å; A126-G128 VanDerWaalsContact C-N 3.29Å |
| 129 | S | 94.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -61.6 | 146.3 | 163.3 | -74 | 0 | 0 | 0 | 0 | 109.4 | T124 C125 D127 K147 S148 F149 | T124-S129 CarbonylContact C-O 3.51Å; T124-S129 WeakPolarHBondContact CA-O 3.3Å; C125-S129 PolarHBondContact N-O 2.74Å; D127-S129 VanDerWaalsContact C-N 3.26Å; D127-S129 PolarHBondContact O-N 2.88Å; D127-S129 WeakPolarHBondContact OD1-CB 3.45Å; D127-S129 PolarHBondContact OD1-N 3.01Å; D127-S129 PolarHBondContact OD1-OG 3.43Å; D127-S129 VanDerWaalsContact OD2-CB 3.31Å; D127-S129 WeakPolarHBondContact OD2-CB 3.31Å; D127-S129 PolarHBondContact OD2-OG 2.84Å; S129-K147 CarbonylContact C-O 3.49Å; S129-K147 WeakPolarHBondContact CA-O 3.46Å; S129-K147 WeakPolarHBondContact CB-O 3.29Å; S129-S148 VanDerWaalsContact OG-CA 3.24Å; S129-S148 WeakPolarHBondContact OG-CA 3.36Å; S129-S148 WeakPolarHBondContact OG-CB 3.21Å; S129-F149 PolarHBondContact OG-N 3.03Å | ||
| 130 | I | 96 | Very high | 95.4 | Very high | 59 Ų | 59 | 34.9 Ų | 34.9 | 30% | 0.303 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129 | -178.1 | -62.4 | 171.9 | 0 | 0 | 0 | 109.4 | I122 E123 T124 R146 K147 | I122-I130 HydrophobicContact CG2-CG2 3.94Å; E123-I130 CarbonylContact O-C 3.38Å; E123-I130 VanDerWaalsContact O-CA 3.24Å; E123-I130 WeakPolarHBondContact O-CA 3.33Å; T124-I130 HydrophobicContact CG2-CG1 4.37Å; I130-R146 CarbonylContact O-C 3.57Å; I130-R146 WeakPolarHBondContact O-CA 3.4Å; I130-K147 PolarHBondContact N-O 2.86Å; I130-K147 PolarHBondContact O-N 3.46Å |
| 131 | Y | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.1 | 161.1 | 176.3 | -84.8 | 0 | 0 | 0 | 109.9 | I122 E123 A134 W135 R140 V145 R146 W369 | I122-Y131 CarbonylContact C-O 3.55Å; I122-Y131 WeakPolarHBondContact CA-O 3.47Å; E123-Y131 PolarHBondContact N-O 3.49Å; E123-Y131 PolarHBondContact O-N 3.06Å; E123-Y131 WeakPolarHBondContact OE2-CB 3.47Å; Y131-A134 PolarHBondContact OH-N 3.49Å; Y131-A134 PolarHBondContact OH-O 2.64Å; Y131-A134 VanDerWaalsContact OH-O 3.06Å; Y131-W135 AromaticContact CD1-CE2 3.7Å; Y131-W135 HydrophobicContact CD1-CH2 4.33Å; Y131-W135 AromaticContact CD1-CZ2 3.41Å; Y131-W135 HydrophobicContact CD1-CZ2 3.41Å; Y131-W135 VanDerWaalsContact CD1-CZ2 3.41Å; Y131-W135 AromaticContact CD1-NE1 3.77Å; Y131-W135 HydrophobicContact CE1-CD2 4.5Å; Y131-W135 AromaticContact CE1-CE2 3.71Å; Y131-W135 AromaticContact CE1-CZ2 3.88Å; Y131-W135 HydrophobicContact CE1-CZ2 3.88Å; Y131-W135 AromaticContact CE1-NE1 3.59Å; Y131-W135 HydrophobicContact CG-CZ2 4.27Å; Y131-R140 HydrophobicContact CD1-CG 3.89Å; Y131-R140 HydrophobicContact CD2-CB 4.38Å; Y131-R140 HydrophobicContact CD2-CG 3.89Å; Y131-R140 HydrophobicContact CE1-CB 4.23Å; Y131-R140 HydrophobicContact CE1-CG 3.8Å; Y131-R140 HydrophobicContact CE2-CB 3.83Å; Y131-R140 HydrophobicContact CE2-CG 3.8Å; Y131-R140 HydrophobicContact CG-CG 3.94Å; Y131-V145 CarbonylContact C-O 3.59Å; Y131-V145 WeakPolarHBondContact CA-O 3.48Å; Y131-R146 HydrophobicContact CD2-CB 4.21Å; Y131-W369 HydrophobicContact CD2-CZ2 4.26Å; Y131-W369 AromaticContact CE2-CD1 3.83Å; Y131-W369 AromaticContact CE2-CD2 3.82Å; Y131-W369 HydrophobicContact CE2-CD2 3.82Å; Y131-W369 AromaticContact CE2-CE2 3.65Å; Y131-W369 HydrophobicContact CE2-CE3 4.49Å; Y131-W369 AromaticContact CE2-CG 3.94Å; Y131-W369 HydrophobicContact CE2-CG 3.94Å; Y131-W369 HydrophobicContact CE2-CZ2 4.19Å; Y131-W369 AromaticContact CE2-NE1 3.62Å |
| 132 | A | 95.2 | Very high | 95.1 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 13% | 0.132 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 105.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | I122 G144 V145 L450 | I122-A132 HydrophobicContact CG1-CB 4.21Å; A132-G144 WeakPolarHBondContact O-CA 3.45Å; A132-V145 PolarHBondContact N-O 3.02Å; A132-V145 PolarHBondContact O-N 3.43Å; A132-L450 HydrophobicContact CB-CD1 4.18Å; A132-L450 HydrophobicContact CB-CD2 3.74Å |
| 133 | G | 94.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | -158.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F120 G121 L143 | F120-G133 WeakPolarHBondContact CA-O 3.17Å; G121-G133 PolarHBondContact N-O 3.21Å; G121-G133 PolarHBondContact O-N 3.34Å; G133-L143 CarbonylContact C-O 3.56Å; G133-L143 VanDerWaalsContact CA-O 3.28Å; G133-L143 WeakPolarHBondContact CA-O 3.44Å |
| 134 | A | 95.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 150.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G119 F120 Y131 H141 L143 | G119-A134 CarbonylContact O-C 3.51Å; G119-A134 WeakPolarHBondContact O-CA 3.34Å; G119-A134 WeakPolarHBondContact O-CB 3.32Å; F120-A134 HydrophobicContact CD1-CB 3.88Å; F120-A134 HydrophobicContact CE1-CB 3.67Å; F120-A134 HydrophobicContact CG-CB 4.41Å; F120-A134 HydrophobicContact CZ-CB 4.03Å; Y131-A134 PolarHBondContact OH-N 3.49Å; Y131-A134 PolarHBondContact OH-O 2.64Å; Y131-A134 VanDerWaalsContact OH-O 3.06Å; A134-H141 CarbonylContact C-O 3.52Å; A134-H141 VanDerWaalsContact CB-O 3.31Å; A134-H141 WeakPolarHBondContact CB-O 3.41Å; A134-H141 PolarHBondContact O-N 2.72Å; A134-L143 PolarHBondContact N-O 2.91Å |
| 135 | W | 97.3 | Very high | 94.5 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 4% | 0.038 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 146.9 | -176.8 | -66.9 | 86.4 | 0 | 0 | 0 | 109.8 | Y108 F117 E118 G119 G121 E123 Y131 G138 F139 R140 | Y108-W135 HydrophobicContact CD2-CZ2 4.42Å; Y108-W135 HydrophobicContact CE2-CD2 4.13Å; Y108-W135 AromaticContact CE2-CE2 3.68Å; Y108-W135 HydrophobicContact CE2-CG 4.38Å; Y108-W135 AromaticContact CE2-CZ2 4Å; Y108-W135 HydrophobicContact CE2-CZ2 4Å; Y108-W135 AromaticContact CE2-NE1 3.66Å; F117-W135 HydrophobicContact CB-CB 4.18Å; F117-W135 HydrophobicContact CB-CD2 3.89Å; F117-W135 HydrophobicContact CB-CE3 3.72Å; F117-W135 HydrophobicContact CB-CG 4.1Å; F117-W135 HydrophobicContact CB-CZ3 4.38Å; F117-W135 HydrophobicContact CD2-CD2 4.41Å; F117-W135 AromaticContact CD2-CE3 3.77Å; F117-W135 HydrophobicContact CD2-CE3 3.77Å; F117-W135 AromaticContact CD2-CH2 3.98Å; F117-W135 HydrophobicContact CD2-CH2 3.98Å; F117-W135 AromaticContact CD2-CZ3 3.53Å; F117-W135 HydrophobicContact CD2-CZ3 3.53Å; F117-W135 HydrophobicContact CE2-CH2 4.37Å; F117-W135 HydrophobicContact CE2-CZ3 4.26Å; F117-W135 HydrophobicContact CG-CE3 4.2Å; F117-W135 HydrophobicContact CG-CZ3 4.39Å; E118-W135 CarbonylContact C-O 3.55Å; G119-W135 PolarHBondContact N-O 3.21Å; G119-W135 PolarHBondContact O-N 3.34Å; G121-W135 PolarHBondContact O-NE1 3.44Å; G121-W135 VanDerWaalsContact O-NE1 3.13Å; E123-W135 HydrophobicContact CB-CH2 4.08Å; E123-W135 HydrophobicContact CB-CZ2 3.68Å; Y131-W135 AromaticContact CD1-CE2 3.7Å; Y131-W135 HydrophobicContact CD1-CH2 4.33Å; Y131-W135 AromaticContact CD1-CZ2 3.41Å; Y131-W135 HydrophobicContact CD1-CZ2 3.41Å; Y131-W135 VanDerWaalsContact CD1-CZ2 3.41Å; Y131-W135 AromaticContact CD1-NE1 3.77Å; Y131-W135 HydrophobicContact CE1-CD2 4.5Å; Y131-W135 AromaticContact CE1-CE2 3.71Å; Y131-W135 AromaticContact CE1-CZ2 3.88Å; Y131-W135 HydrophobicContact CE1-CZ2 3.88Å; Y131-W135 AromaticContact CE1-NE1 3.59Å; Y131-W135 HydrophobicContact CG-CZ2 4.27Å; W135-G138 WeakPolarHBondContact CZ3-O 3.41Å; W135-F139 CarbonylContact C-O 3.58Å; W135-F139 WeakPolarHBondContact CA-O 3.35Å; W135-R140 HydrophobicContact CD2-CG 4.38Å; W135-R140 HydrophobicContact CE3-CG 3.99Å; W135-R140 HydrophobicContact CH2-CG 3.41Å; W135-R140 VanDerWaalsContact CH2-CG 3.41Å; W135-R140 HydrophobicContact CZ2-CG 3.81Å; W135-R140 HydrophobicContact CZ3-CG 3.5Å; W135-R140 VanDerWaalsContact CZ3-CG 3.5Å |
| 136 | S | 96.7 | Very high | 94.5 | Very high | 37 Ų | 37 | 37.3 Ų | 37.3 | 26% | 0.259 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 132 | 163.6 | -161 | 0 | 0 | 0 | 0 | 111.9 | E118 G138 F139 | E118-S136 WeakPolarHBondContact OE1-CA 3.31Å; E118-S136 WeakPolarHBondContact OE1-CB 3.39Å; E118-S136 PolarHBondContact OE1-OG 2.93Å; E118-S136 WeakPolarHBondContact OE2-CA 3.37Å; E118-S136 PolarHBondContact OE2-OG 3.3Å; S136-G138 PolarHBondContact O-N 3.2Å; S136-F139 PolarHBondContact N-O 3.33Å; S136-F139 PolarHBondContact O-N 3Å |
| 137 | K | 95.3 | Very high | 94.6 | Very high | 153 Ų | 153 | 37.7 Ų | 37.7 | 67% | 0.665 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 32.8 | -177.4 | -52.1 | -173.7 | 177.9 | -169.7 | 0 | 114.2 | E118 F139 | E118-K137 PolarHBondContact OE2-N 3.47Å; K137-F139 HydrophobicContact CB-CD2 4.46Å; K137-F139 WeakPolarHBondContact O-CD2 3.44Å |
| 138 | G | 94.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -8.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F117 W135 S136 | F117-G138 WeakPolarHBondContact O-CA 3.44Å; F117-G138 PolarHBondContact O-N 3.47Å; W135-G138 WeakPolarHBondContact CZ3-O 3.41Å; S136-G138 PolarHBondContact O-N 3.2Å |
| 139 | F | 97 | Very high | 94.8 | Very high | 73 Ų | 73 | 37.2 Ų | 37.2 | 32% | 0.32 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 147.7 | -178.1 | -56.2 | -80.1 | 0 | 0 | 0 | 112.7 | W135 S136 K137 H141 | W135-F139 CarbonylContact C-O 3.58Å; W135-F139 WeakPolarHBondContact CA-O 3.35Å; S136-F139 PolarHBondContact N-O 3.33Å; S136-F139 PolarHBondContact O-N 3Å; K137-F139 HydrophobicContact CB-CD2 4.46Å; K137-F139 WeakPolarHBondContact O-CD2 3.44Å; F139-H141 PolarHBondContact O-N 3.22Å |
| 140 | R | 95.9 | Very high | 94.4 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 128.3 | 170.7 | -64.6 | 162.9 | -77.4 | -156.3 | 0.7 | 109.3 | E123 Y131 W135 W369 Q371 D372 | E123-R140 IonicContact OE2-NH1 2.69Å; E123-R140 PolarHBondContact OE2-NH1 3.34Å; Y131-R140 HydrophobicContact CD1-CG 3.89Å; Y131-R140 HydrophobicContact CD2-CB 4.38Å; Y131-R140 HydrophobicContact CD2-CG 3.89Å; Y131-R140 HydrophobicContact CE1-CB 4.23Å; Y131-R140 HydrophobicContact CE1-CG 3.8Å; Y131-R140 HydrophobicContact CE2-CB 3.83Å; Y131-R140 HydrophobicContact CE2-CG 3.8Å; Y131-R140 HydrophobicContact CG-CG 3.94Å; W135-R140 HydrophobicContact CD2-CG 4.38Å; W135-R140 HydrophobicContact CE3-CG 3.99Å; W135-R140 HydrophobicContact CH2-CG 3.41Å; W135-R140 VanDerWaalsContact CH2-CG 3.41Å; W135-R140 HydrophobicContact CZ2-CG 3.81Å; W135-R140 HydrophobicContact CZ3-CG 3.5Å; W135-R140 VanDerWaalsContact CZ3-CG 3.5Å; R140-W369 HydrophobicContact CB-CE3 4.23Å; R140-Q371 PolarHBondContact O-N 3.17Å; R140-D372 VanDerWaalsContact CB-OD1 3.31Å; R140-D372 WeakPolarHBondContact CB-OD1 3.45Å; R140-D372 IonicContact CZ-OD1 3.55Å; R140-D372 IonicContact CZ-OD2 3.56Å; R140-D372 PolarHBondContact N-OD1 3.35Å; R140-D372 IonicContact NE-OD1 3.62Å; R140-D372 PolarHBondContact NE-OD1 3.15Å; R140-D372 IonicContact NE-OD2 2.6Å; R140-D372 PolarHBondContact NE-OD2 3.41Å; R140-D372 IonicContact NH2-OD1 2.66Å; R140-D372 IonicContact NH2-OD2 3.68Å; R140-D372 PolarHBondContact NH2-OD2 3.21Å; R140-D372 PolarHBondContact O-N 2.76Å |
| 141 | H | 94.7 | Very high | 93.7 | Very high | 67 Ų | 67 | 40.1 Ų | 40.1 | 31% | 0.31 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 166.1 | -167.8 | -155.3 | 91.6 | 0 | 0 | 0 | 111.5 | A134 F139 L143 W369 F370 | A134-H141 CarbonylContact C-O 3.52Å; A134-H141 VanDerWaalsContact CB-O 3.31Å; A134-H141 WeakPolarHBondContact CB-O 3.41Å; A134-H141 PolarHBondContact O-N 2.72Å; F139-H141 PolarHBondContact O-N 3.22Å; H141-L143 PolarHBondContact O-N 3.37Å; H141-W369 CarbonylContact C-O 3.49Å; H141-W369 VanDerWaalsContact C-O 3.27Å; H141-W369 WeakPolarHBondContact CA-O 3.36Å; H141-F370 AromaticContact CE1-CD2 3.43Å; H141-F370 VanDerWaalsContact CE1-CD2 3.43Å; H141-F370 WeakPolarHBondContact CE1-CD2 3.39Å; H141-F370 AromaticContact CE1-CE2 3.63Å |
| 142 | G | 92.4 | Very high | 92.3 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 33% | 0.33 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 66 | -106.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | E368 W369 | G142-E368 CarbonylContact O-C 3.52Å; G142-E368 WeakPolarHBondContact O-CA 3.2Å; G142-W369 PolarHBondContact N-O 3.35Å; G142-W369 PolarHBondContact O-N 2.96Å |
| 143 | L | 92.5 | Very high | 90.4 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 140.2 | -177.6 | -69.4 | 160.3 | 0 | 0 | 0 | 109.5 | G133 A134 H141 E368 H442 C446 | G133-L143 CarbonylContact C-O 3.56Å; G133-L143 VanDerWaalsContact CA-O 3.28Å; G133-L143 WeakPolarHBondContact CA-O 3.44Å; A134-L143 PolarHBondContact N-O 2.91Å; H141-L143 PolarHBondContact O-N 3.37Å; L143-E368 HydrophobicContact CD2-CG 3.68Å; L143-H442 HydrophobicContact CD1-CB 3.55Å; L143-H442 HydrophobicContact CD2-CB 3.83Å; L143-H442 HydrophobicContact CG-CB 4.34Å; L143-C446 HydrophobicContact CB-CB 3.95Å; L143-C446 HydrophobicContact CD1-CB 4.41Å; L143-C446 PolarHBondContact O-SG 3.33Å; L143-C446 VanDerWaalsContact O-SG 3.35Å |
| 144 | G | 93 | Very high | 88.3 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | 159.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | A132 G367 W369 | A132-G144 WeakPolarHBondContact O-CA 3.45Å; G144-G367 PolarHBondContact N-O 3.31Å; G144-G367 VanDerWaalsContact N-O 3.11Å; G144-G367 PolarHBondContact O-N 2.9Å; G144-W369 PolarHBondContact O-NE1 3.21Å |
| 145 | V | 92.5 | Very high | 85.6 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.8 | 172.7 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | Y131 A132 I364 Y365 | Y131-V145 CarbonylContact C-O 3.59Å; Y131-V145 WeakPolarHBondContact CA-O 3.48Å; A132-V145 PolarHBondContact N-O 3.02Å; A132-V145 PolarHBondContact O-N 3.43Å; V145-I364 HydrophobicContact CG1-CG2 3.99Å; V145-Y365 CarbonylContact C-O 3.49Å; V145-Y365 VanDerWaalsContact CA-O 3.23Å; V145-Y365 WeakPolarHBondContact CA-O 3.43Å |
| 146 | R | 95.4 | Very high | 82.7 | Confident | 33 Ų | 33 | 63.4 Ų | 63.4 | 13% | 0.125 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.2 | 168.2 | -175.8 | 173.8 | 168.6 | 89.6 | -1.4 | 109.7 | I130 Y131 I364 Y365 W369 | I130-R146 CarbonylContact O-C 3.57Å; I130-R146 WeakPolarHBondContact O-CA 3.4Å; Y131-R146 HydrophobicContact CD2-CB 4.21Å; R146-I364 CarbonylContact O-C 3.47Å; R146-I364 VanDerWaalsContact O-CA 3.32Å; R146-I364 WeakPolarHBondContact O-CA 3.44Å; R146-Y365 PolarHBondContact N-O 3.4Å; R146-Y365 PolarHBondContact O-N 3.09Å; R146-W369 HydrophobicContact CB-CH2 4.23Å; R146-W369 HydrophobicContact CB-CZ2 3.74Å |
| 147 | K | 95.6 | Very high | 79.6 | Confident | 70 Ų | 70 | 66 Ų | 66 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.3 | 159 | -179.8 | -165.6 | 176.2 | -166.7 | 0 | 106.6 | S129 I130 I362 E363 I364 | S129-K147 CarbonylContact C-O 3.49Å; S129-K147 WeakPolarHBondContact CA-O 3.46Å; S129-K147 WeakPolarHBondContact CB-O 3.29Å; I130-K147 PolarHBondContact N-O 2.86Å; I130-K147 PolarHBondContact O-N 3.46Å; K147-I362 HydrophobicContact CD-CG2 4.31Å; K147-I362 HydrophobicContact CG-CG2 3.65Å; K147-E363 CarbonylContact C-O 3.57Å; K147-E363 WeakPolarHBondContact CA-O 3.38Å; K147-I364 HydrophobicContact CB-CG1 4.47Å; K147-I364 HydrophobicContact CG-CG1 4.36Å |
| 148 | S | 94.6 | Very high | 76.5 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 11% | 0.112 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 146.1 | 173.5 | 45.7 | 0 | 0 | 0 | 0 | 113.3 | S129 E363 | S129-S148 VanDerWaalsContact OG-CA 3.24Å; S129-S148 WeakPolarHBondContact OG-CA 3.36Å; S129-S148 WeakPolarHBondContact OG-CB 3.21Å; S148-E363 PolarHBondContact N-O 3.07Å; S148-E363 PolarHBondContact O-N 3.22Å |
| 149 | F | 91.3 | Very high | 73.2 | Confident | 81 Ų | 81 | 74.3 Ų | 74.3 | 36% | 0.355 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 140.2 | 172.5 | -57.7 | -86.9 | 0 | 0 | 0 | 109.9 | D127 S129 I362 | D127-F149 WeakPolarHBondContact O-CE2 3.4Å; S129-F149 PolarHBondContact OG-N 3.03Å; F149-I362 HydrophobicContact CD1-CD1 4.36Å; F149-I362 HydrophobicContact CD1-CG1 3.71Å; F149-I362 HydrophobicContact CE1-CD1 3.82Å; F149-I362 HydrophobicContact CE1-CG1 3.68Å |
| 150 | I | 85.3 | Confident | 69.7 | Low | 40 Ų | 40 | 78.3 Ų | 78.3 | 21% | 0.205 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 116.1 | 176.9 | -51.8 | -179.6 | 0 | 0 | 0 | 107.4 | Y152 S360 V361 E363 | I150-Y152 HydrophobicContact CB-CE2 4.24Å; I150-Y152 HydrophobicContact CG2-CE1 4.06Å; I150-Y152 HydrophobicContact CG2-CE2 3.84Å; I150-S360 WeakPolarHBondContact O-CA 3.16Å; I150-V361 PolarHBondContact N-O 3.37Å; I150-V361 PolarHBondContact O-N 3.43Å; I150-E363 HydrophobicContact CD1-CB 3.58Å; I150-E363 HydrophobicContact CD1-CG 4.27Å; I150-E363 HydrophobicContact CG1-CB 4.29Å |
| 151 | S | 81.1 | Confident | 66.4 | Low | 81 Ų | 81 | 81.1 Ų | 81.1 | 57% | 0.566 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 142.6 | 172.3 | 43.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 152 | Y | 67.1 | Low | 63 | Low | 84 Ų | 84 | 85.4 Ų | 85.4 | 33% | 0.329 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.3 | 170.7 | -56.1 | -87.8 | 0 | 0 | 0 | 109.6 | I150 L358 I359 V361 R382 | I150-Y152 HydrophobicContact CB-CE2 4.24Å; I150-Y152 HydrophobicContact CG2-CE1 4.06Å; I150-Y152 HydrophobicContact CG2-CE2 3.84Å; Y152-L358 WeakPolarHBondContact O-CA 3.42Å; Y152-I359 PolarHBondContact N-O 3.07Å; Y152-I359 VanDerWaalsContact N-O 3.08Å; Y152-I359 PolarHBondContact O-N 3.19Å; Y152-V361 HydrophobicContact CD2-CG2 3.94Å; Y152-V361 HydrophobicContact CE2-CB 3.91Å; Y152-V361 HydrophobicContact CE2-CG2 3.69Å; Y152-R382 VanDerWaalsContact OH-CZ 3.24Å; Y152-R382 PolarHBondContact OH-NH1 3.43Å; Y152-R382 PolarHBondContact OH-NH2 3.29Å |
| 153 | K | 56.6 | Low | 59.7 | Low | 151 Ų | 151 | 90 Ų | 90 | 66% | 0.657 | 48% | 0.484 | S | S | * | . | trans | -73 | 131.6 | 167.3 | -66.2 | 172.6 | -175.8 | 164.5 | 0 | 108.8 | L358 | K153-L358 HydrophobicContact CG-CD2 3.94Š| ||
| 154 | T | 50.6 | Low | 56.4 | Low | 35 Ų | 35 | 94.1 Ų | 94.1 | 22% | 0.215 | 51% | 0.511 | C | S | . | . | trans | -89.7 | 114.2 | 171.1 | 34.7 | 0 | 0 | 0 | 0 | 108.7 | T156 Q357 I359 | T154-T156 PolarHBondContact O-N 3.42Å; T154-Q357 PolarHBondContact OG1-O 3.37Å; T154-I359 HydrophobicContact CG2-CD1 3.55Å; T154-I359 HydrophobicContact CG2-CG1 3.76Å | ||
| 155 | N | 38.7 | Very low | 52.9 | Low | 145 Ų | 145 | 103 Ų | 103 | 78% | 0.775 | 55% | 0.553 | S | S | * | * | trans | -85.2 | 93.5 | 173.2 | -76.8 | 10.2 | 0 | 0 | 0 | 108.9 | S157 | N155-S157 PolarHBondContact O-N 3.23Š| ||
| 156 | T | 35.1 | Very low | 49.6 | Very low | 113 Ų | 113 | 108.2 Ų | 108.2 | 69% | 0.693 | 58% | 0.58 | S | S | * | * | trans | -88.9 | 83.3 | 177.9 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | T154 | T154-T156 PolarHBondContact O-N 3.42Š| ||
| 157 | S | 33.6 | Very low | 46.1 | Very low | 90 Ų | 90 | 112.7 Ų | 112.7 | 63% | 0.629 | 61% | 0.611 | S | S | * | * | trans | -124.7 | -12.7 | 174.6 | 59.7 | 0 | 0 | 0 | 0 | 115.1 | N155 H159 | N155-S157 PolarHBondContact O-N 3.23Å; S157-H159 PolarHBondContact O-N 3.37Å; S157-H159 VanDerWaalsContact O-N 3.16Å | ||
| 158 | D | 28.3 | Very low | 42.6 | Very low | 145 Ų | 145 | 118.7 Ų | 118.7 | 78% | 0.775 | 64% | 0.64 | S | S | * | * | trans | -88.7 | 88.3 | -174 | -65.5 | -13.3 | 0 | 0 | 0 | 110.4 | L160 | D158-L160 PolarHBondContact O-N 3.48Š| ||
| 159 | H | 26.4 | Very low | 39.1 | Very low | 186 Ų | 186 | 124.3 Ų | 124.3 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 122.4 | 172.3 | -105.7 | -87 | 0 | 0 | 0 | 110.6 | S157 P161 | S157-H159 PolarHBondContact O-N 3.37Å; S157-H159 VanDerWaalsContact O-N 3.16Å; H159-P161 VanDerWaalsContact O-CD 3.26Å; H159-P161 WeakPolarHBondContact O-CD 3.38Å |
| 160 | L | 23.6 | Very low | 35.8 | Very low | 156 Ų | 156 | 128 Ų | 128 | 82% | 0.817 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 118.3 | -180 | -166.7 | 74.6 | 0 | 0 | 0 | 110.5 | D158 N162 | D158-L160 PolarHBondContact O-N 3.48Å; L160-N162 PolarHBondContact O-N 2.92Å |
| 161 | P | 25.3 | Very low | 32.7 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 128.7 | 175.6 | -18.4 | 33 | 0 | 0 | 0 | 110.3 | H159 T163 | H159-P161 VanDerWaalsContact O-CD 3.26Å; H159-P161 WeakPolarHBondContact O-CD 3.38Å; P161-T163 VanDerWaalsContact C-N 3.29Å; P161-T163 PolarHBondContact O-N 2.93Å; P161-T163 PolarHBondContact O-OG1 3.44Å |
| 162 | N | 24.3 | Very low | 29.8 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | trans | -67.1 | 87.5 | 171.8 | -88.8 | -17.5 | 0 | 0 | 0 | 109.9 | L160 T164 | L160-N162 PolarHBondContact O-N 2.92Å; N162-T164 PolarHBondContact O-N 2.81Å | ||
| 163 | T | 23.4 | Very low | 27.6 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -76.7 | 87.2 | 177.2 | -51.1 | 0 | 0 | 0 | 0 | 109.6 | P161 | P161-T163 VanDerWaalsContact C-N 3.29Å; P161-T163 PolarHBondContact O-N 2.93Å; P161-T163 PolarHBondContact O-OG1 3.44Å | ||
| 164 | T | 21.9 | Very low | 25.9 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | -60.3 | 137.1 | 170 | 31.5 | 0 | 0 | 0 | 0 | 110.7 | N162 N166 | N162-T164 PolarHBondContact O-N 2.81Å; T164-N166 PolarHBondContact O-N 3.03Å; T164-N166 VanDerWaalsContact O-N 3.09Å | ||
| 165 | M | 20.6 | Very low | 24.6 | Very low | 190 Ų | 190 | 140.6 Ų | 140.6 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | trans | -62.9 | 108.2 | -178.1 | -67.6 | -80.6 | -74.6 | 0 | 0 | 110.7 | ||||
| 166 | N | 23.2 | Very low | 23.7 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -130.6 | 134.5 | 166.2 | -96.8 | -26.9 | 0 | 0 | 0 | 109.6 | T164 | T164-N166 PolarHBondContact O-N 3.03Å; T164-N166 VanDerWaalsContact O-N 3.09Å | ||
| 167 | T | 21.8 | Very low | 23.2 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -83.3 | 138.1 | -165.1 | 46.4 | 0 | 0 | 0 | 0 | 113.8 | T169 | T167-T169 PolarHBondContact O-N 2.88Å; T167-T169 PolarHBondContact O-OG1 3.21Å | ||
| 168 | E | 21.6 | Very low | 22.5 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -24.2 | 111 | 169.1 | -58.2 | 176.5 | 160.9 | 0 | 0 | 115.2 | ||||
| 169 | T | 21.7 | Very low | 22.3 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -138 | 83.9 | 166.1 | 16.4 | 0 | 0 | 0 | 0 | 111.2 | T167 | T167-T169 PolarHBondContact O-N 2.88Å; T167-T169 PolarHBondContact O-OG1 3.21Å | ||
| 170 | I | 22.1 | Very low | 22.1 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | 18.5 | 98.3 | 152.3 | -56 | 170.8 | 0 | 0 | 0 | 117 | ||||
| 171 | T | 20.1 | Very low | 22 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | trans | 7.4 | 122.8 | 139.3 | 49.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 172 | T | 19.8 | Very low | 22 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 68.7 | 148.9 | 136.3 | 67.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 173 | I | 22.2 | Very low | 21.9 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | cis | -133.8 | 151.4 | 12.9 | -65.1 | 173.1 | 0 | 0 | 0 | 109.1 | ||||
| 174 | P | 20.1 | Very low | 22.1 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -76.8 | 145.8 | 178.5 | -9.7 | 26.9 | 0 | 0 | 0 | 114.2 | ||||
| 175 | T | 23.6 | Very low | 22.3 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -117.9 | 155.4 | 165.3 | 44.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 176 | T | 20.2 | Very low | 22.5 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -93.7 | 141.6 | -167.5 | 49.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 177 | G | 23.6 | Very low | 22.4 | Very low | 60 Ų | 60 | 130.6 Ų | 130.6 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | trans | 162.4 | 94.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 178 | T | 19.3 | Very low | 22.4 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | 55.4 | 83.1 | 73.9 | 71.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 179 | T | 24 | Very low | 22.7 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -153.3 | 137.2 | 150.6 | 7.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 180 | T | 22 | Very low | 22.6 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 2.8 | 117.2 | 152.9 | 52.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 181 | A | 20.5 | Very low | 22.6 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | 79.2 | 101.9 | 60.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 182 | T | 26.1 | Very low | 22.6 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -156.8 | 138.1 | 154.4 | 14.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 183 | T | 23.3 | Very low | 22.6 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -121 | 168.1 | 173.4 | 50 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 184 | P | 26.4 | Very low | 22.6 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -134 | -179.3 | -14.1 | 28.9 | -5.9 | 0 | 0 | 0 | 114.8 | ||||
| 185 | I | 25.7 | Very low | 22.6 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -43.9 | 166.6 | 148.1 | 22.2 | 170.9 | 0 | 0 | 0 | 113.7 | ||||
| 186 | P | 25.2 | Very low | 22.7 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | cis | -147.7 | 172.4 | 25.7 | 44 | -23.8 | 0 | 0 | 0 | 120 | ||||
| 187 | T | 21.8 | Very low | 22.7 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | 38 | 128 | 144.1 | 57.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 188 | S | 21.9 | Very low | 22.6 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | -168.6 | 168 | 125.9 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 189 | Q | 26.1 | Very low | 22.7 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 70.7 | 104.8 | -177.8 | -57.4 | 174.2 | -3.8 | 0 | 0 | 113.9 | ||||
| 190 | I | 20.8 | Very low | 22.8 | Very low | 153 Ų | 153 | 137 Ų | 137 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | cis | 70.4 | 144.6 | 22.2 | -39.1 | 175.6 | 0 | 0 | 0 | 113.2 | ||||
| 191 | E | 21.5 | Very low | 22.8 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | 79.1 | 107.7 | -179.3 | -51.7 | -168.6 | 164.2 | 0 | 0 | 112.6 | ||||
| 192 | S | 20.8 | Very low | 23.2 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | 74.4 | 149.1 | 67.9 | 85.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 193 | M | 19.3 | Very low | 23.2 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | cis | -161.9 | 179.5 | 26.5 | -156.7 | 118.9 | 61.7 | 0 | 0 | 111.8 | ||||
| 194 | H | 21.4 | Very low | 23.1 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -4.4 | 147.5 | 147.5 | -66.3 | -55.6 | 0 | 0 | 0 | 118.9 | ||||
| 195 | D | 20.7 | Very low | 22.9 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | cis | -165.6 | 167.7 | 0.2 | -97 | -25.5 | 0 | 0 | 0 | 108.5 | ||||
| 196 | F | 25.3 | Very low | 22.7 | Very low | 210 Ų | 210 | 144.9 Ų | 144.9 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | 172.3 | 147.1 | 116.2 | -109.2 | -87.7 | 0 | 0 | 0 | 113.4 | |||||
| 197 | D | 21.2 | Very low | 22.6 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -93.4 | 162.4 | -166.3 | -109 | -49 | 0 | 0 | 0 | 117.1 | ||||
| 198 | L | 21.2 | Very low | 22.4 | Very low | 146 Ų | 146 | 152.9 Ų | 152.9 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -26.7 | 167.6 | 164.8 | -64.8 | 161.7 | 0 | 0 | 0 | 120.6 | ||||
| 199 | N | 22 | Very low | 22.4 | Very low | 154 Ų | 154 | 157.1 Ų | 157.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | 76.1 | 129.4 | 169.3 | -67.2 | -49.9 | 0 | 0 | 0 | 116.4 | ||||
| 200 | S | 26.1 | Very low | 22.2 | Very low | 109 Ų | 109 | 156.6 Ų | 156.6 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | cis | -154.7 | 147.5 | 47.8 | 45.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 201 | N | 22.5 | Very low | 22.2 | Very low | 167 Ų | 167 | 157.2 Ų | 157.2 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -84.4 | 135.6 | 159.3 | -86.4 | -53.1 | 0 | 0 | 0 | 109.2 | ||||
| 202 | H | 28.1 | Very low | 22.1 | Very low | 163 Ų | 163 | 155.5 Ų | 155.5 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -132.7 | 123.9 | 170.3 | -157 | 79.5 | 0 | 0 | 0 | 112.8 | ||||
| 203 | N | 25 | Very low | 22.1 | Very low | 124 Ų | 124 | 156.4 Ų | 156.4 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | trans | 21.4 | 113.1 | 168.6 | -70.2 | -45.9 | 0 | 0 | 0 | 120.3 | ||||
| 204 | I | 21.9 | Very low | 22.1 | Very low | 158 Ų | 158 | 156 Ų | 156 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -63.4 | 127.2 | 137.5 | -62.8 | 162.9 | 0 | 0 | 0 | 107.8 | ||||
| 205 | D | 22.5 | Very low | 22.1 | Very low | 155 Ų | 155 | 158 Ų | 158 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -138.7 | 146.8 | 159 | -152 | -13.8 | 0 | 0 | 0 | 110.8 | ||||
| 206 | Q | 22.3 | Very low | 22.3 | Very low | 161 Ų | 161 | 157.1 Ų | 157.1 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -109.2 | 106.8 | -161.4 | -66.8 | -171.8 | 5.1 | 0 | 0 | 113.7 | ||||
| 207 | M | 21.5 | Very low | 22.6 | Very low | 190 Ų | 190 | 153.3 Ų | 153.3 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | -104.7 | 127.4 | 169.6 | -91 | -70.1 | -86.7 | 0 | 0 | 113.9 | ||||
| 208 | R | 18.3 | Very low | 22.6 | Very low | 213 Ų | 213 | 155.5 Ų | 155.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -81 | 147.6 | -159.6 | -55.2 | 162.2 | -177.1 | 171.4 | 1 | 114.1 | ||||
| 209 | K | 21.6 | Very low | 22.9 | Very low | 196 Ų | 196 | 156.7 Ų | 156.7 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | 37.5 | 106.3 | 133.1 | -59 | 178.7 | 176.8 | -176.2 | 0 | 119.8 | ||||
| 210 | I | 22.6 | Very low | 22.8 | Very low | 165 Ų | 165 | 156 Ų | 156 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -152.7 | 123.7 | 136.3 | -77 | 112.4 | 0 | 0 | 0 | 103.6 | ||||
| 211 | H | 19.8 | Very low | 22.7 | Very low | 165 Ų | 165 | 156.7 Ų | 156.7 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | cis | 87.1 | 133.3 | 33.9 | -142.1 | 65.6 | 0 | 0 | 0 | 114.5 | ||||
| 212 | L | 19.4 | Very low | 22.8 | Very low | 135 Ų | 135 | 156.1 Ų | 156.1 | 71% | 0.707 | 78% | 0.781 | S | S | * | * | trans | 68.7 | 101.7 | 177.5 | -58.3 | 173.2 | 0 | 0 | 0 | 115.8 | ||||
| 213 | T | 21.1 | Very low | 22.5 | Very low | 111 Ų | 111 | 157.2 Ų | 157.2 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | 88.8 | 130.9 | 70.3 | 55.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 214 | N | 20.6 | Very low | 22.3 | Very low | 141 Ų | 141 | 162.7 Ų | 162.7 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | 55.8 | 104.4 | 153.7 | -60.7 | -17.1 | 0 | 0 | 0 | 119.2 | ||||
| 215 | Q | 21.4 | Very low | 22.2 | Very low | 192 Ų | 192 | 160.3 Ų | 160.3 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | -163.8 | 153.7 | 113.1 | -106.6 | 149.5 | 95.3 | 0 | 0 | 115.5 | |||||
| 216 | S | 25 | Very low | 22.1 | Very low | 103 Ų | 103 | 158.2 Ų | 158.2 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -44.5 | 155.1 | 167.9 | 55.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 217 | P | 30.3 | Very low | 22 | Very low | 129 Ų | 129 | 156.2 Ų | 156.2 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | -146 | 177.2 | 62.7 | 40.9 | -21.7 | 0 | 0 | 0 | 118.5 | |||||
| 218 | K | 22.1 | Very low | 22 | Very low | 188 Ų | 188 | 154.8 Ų | 154.8 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -64.2 | 148.5 | 173.9 | -51.7 | 164.1 | -178.6 | 174.8 | 0 | 111.2 | ||||
| 219 | L | 26.4 | Very low | 22.2 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -132.2 | 127.7 | 139.9 | -141 | 86.5 | 0 | 0 | 0 | 108.4 | ||||
| 220 | N | 20.8 | Very low | 22.4 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -85.3 | 138.6 | 162.8 | -73.3 | -9.7 | 0 | 0 | 0 | 107.1 | ||||
| 221 | D | 24.6 | Very low | 22.5 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 65% | 0.652 | 79% | 0.791 | S | S | * | * | -160.2 | 135.1 | 118.8 | -114.6 | -3.2 | 0 | 0 | 0 | 116.3 | |||||
| 222 | K | 22.9 | Very low | 22.9 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | 44.2 | 90.7 | 142.5 | -62.7 | 172 | -172 | 80.3 | 0 | 119.2 | ||||
| 223 | H | 22.7 | Very low | 23.3 | Very low | 185 Ų | 185 | 149.8 Ų | 149.8 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | 40.6 | 107.3 | 124.1 | -65 | -75.3 | 0 | 0 | 0 | 119.3 | S225 | H223-S225 PolarHBondContact O-N 3.1Š| |||
| 224 | Y | 20 | Very low | 23.8 | Very low | 239 Ų | 239 | 154.3 Ų | 154.3 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 130.2 | 149.8 | -84.9 | -104.8 | 0 | 0 | 0 | 110.5 | ||
| 225 | S | 20.2 | Very low | 24 | Very low | 109 Ų | 109 | 156.3 Ų | 156.3 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 146.5 | 173.7 | -168.9 | 0 | 0 | 0 | 0 | 111.7 | H223 | H223-S225 PolarHBondContact O-N 3.1Š|
| 226 | S | 20 | Very low | 24.6 | Very low | 110 Ų | 110 | 152.7 Ų | 152.7 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 134.2 | -172.9 | 51.8 | 0 | 0 | 0 | 0 | 116.1 | ||
| 227 | S | 21.7 | Very low | 25 | Very low | 120 Ų | 120 | 155 Ų | 155 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -160.8 | 47.3 | 152.6 | 33.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 228 | I | 20.2 | Very low | 25.3 | Very low | 160 Ų | 160 | 154.7 Ų | 154.7 | 82% | 0.821 | 81% | 0.814 | S | S | * | * | trans | -123.2 | 98.7 | 165.3 | -58.9 | 179.5 | 0 | 0 | 0 | 109.2 | ||||
| 229 | I | 23.6 | Very low | 26.5 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -134.4 | 101.8 | 159.9 | -61.5 | -176.3 | 0 | 0 | 0 | 108.3 | ||||
| 230 | N | 24.4 | Very low | 28.5 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 23.4 | 104.2 | 151.8 | -57.6 | -26.2 | 0 | 0 | 0 | 119 | ||||
| 231 | L | 25 | Very low | 29.8 | Very low | 169 Ų | 169 | 148.5 Ų | 148.5 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -93.6 | 137.8 | 135.4 | -108.4 | 74.2 | 0 | 0 | 0 | 108.7 | ||||
| 232 | P | 28.4 | Very low | 30.9 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -68.8 | 146.2 | -174.4 | -21.6 | 33.8 | 0 | 0 | 0 | 114.4 | K234 | P232-K234 PolarHBondContact O-N 3.22Š| ||
| 233 | L | 27.3 | Very low | 32.4 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | trans | -60.1 | 114.9 | 168.8 | -72.5 | 163.4 | 0 | 0 | 0 | 110.2 | ||||
| 234 | K | 31.6 | Very low | 34.6 | Very low | 206 Ų | 206 | 138.7 Ų | 138.7 | 90% | 0.896 | 75% | 0.745 | S | S | * | * | trans | -64.3 | 143.6 | 170.4 | -83.5 | 179.9 | 175.1 | 172 | 0 | 110.6 | P232 S236 | P232-K234 PolarHBondContact O-N 3.22Å; K234-S236 PolarHBondContact O-N 2.95Å | ||
| 235 | E | 26.6 | Very low | 36.5 | Very low | 184 Ų | 184 | 132 Ų | 132 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | trans | -42.8 | 127.3 | -169.8 | -58.2 | 175.4 | 140.4 | 0 | 0 | 114.1 | I237 | E235-I237 PolarHBondContact O-N 3.08Š| ||
| 236 | S | 32.8 | Very low | 38.6 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | trans | -63.9 | 109.2 | 169.8 | 65.7 | 0 | 0 | 0 | 0 | 109.9 | K234 P238 | K234-S236 PolarHBondContact O-N 2.95Å; S236-P238 VanDerWaalsContact O-N 3.15Å | ||
| 237 | I | 34.4 | Very low | 41 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | trans | -53.3 | 121.7 | -175.2 | -58.6 | 172.8 | 0 | 0 | 0 | 109.2 | E235 V239 | E235-I237 PolarHBondContact O-N 3.08Å; I237-V239 PolarHBondContact O-N 2.62Å | ||
| 238 | P | 36.6 | Very low | 43.2 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | trans | -65.2 | 98.5 | -168.5 | 21.9 | -32.9 | 0 | 0 | 0 | 112.2 | S236 S240 | S236-P238 VanDerWaalsContact O-N 3.15Å; P238-S240 PolarHBondContact O-N 3.44Å | ||
| 239 | V | 46.2 | Very low | 45.3 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 47% | 0.473 | 66% | 0.664 | S | S | . | * | trans | -65.2 | 101.4 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | I237 R241 A243 V244 | I237-V239 PolarHBondContact O-N 2.62Å; V239-R241 PolarHBondContact O-N 2.62Å; V239-A243 HydrophobicContact CG1-CB 3.79Å; V239-V244 HydrophobicContact CG1-CG2 4Å | ||
| 240 | S | 67.8 | Low | 47.4 | Very low | 73 Ų | 73 | 121.5 Ų | 121.5 | 51% | 0.51 | 65% | 0.646 | S | S | . | * | trans | -50.4 | 143.5 | -176.1 | 74.6 | 0 | 0 | 0 | 0 | 112 | P238 K242 A243 V244 | P238-S240 PolarHBondContact O-N 3.44Å; S240-K242 PolarHBondContact O-N 3.32Å; S240-A243 WeakPolarHBondContact O-CA 3.47Å; S240-A243 WeakPolarHBondContact O-CB 3.47Å; S240-A243 PolarHBondContact O-N 2.75Å; S240-V244 PolarHBondContact O-N 2.86Å | ||
| 241 | R | 49.6 | Very low | 49.6 | Very low | 219 Ų | 219 | 124.2 Ų | 124.2 | 83% | 0.826 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -49 | -30.8 | 178 | -72 | -175.7 | 178.2 | 174.9 | 0 | 112.9 | V239 V244 I245 | V239-R241 PolarHBondContact O-N 2.62Å; R241-V244 PolarHBondContact O-N 2.92Å; R241-I245 WeakPolarHBondContact O-CB 3.24Å; R241-I245 WeakPolarHBondContact O-CD1 3.35Å; R241-I245 VanDerWaalsContact O-CG1 3.22Å; R241-I245 WeakPolarHBondContact O-CG1 3.34Å; R241-I245 PolarHBondContact O-N 3.37Å |
| 242 | K | 46.1 | Very low | 51.8 | Low | 136 Ų | 136 | 125.3 Ų | 125.3 | 59% | 0.591 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.6 | -34.7 | 177.1 | -158.6 | 165.4 | -169.9 | 166.4 | 0 | 113.4 | S240 G246 E440 | S240-K242 PolarHBondContact O-N 3.32Å; K242-G246 PolarHBondContact O-N 2.85Å; K242-E440 WeakPolarHBondContact CE-OE1 3.38Å; K242-E440 IonicContact NZ-OE1 2.66Å; K242-E440 PolarHBondContact NZ-OE1 3.29Å |
| 243 | A | 56.2 | Low | 53.4 | Low | 39 Ų | 39 | 123.8 Ų | 123.8 | 32% | 0.322 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -74.6 | -37 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | V239 S240 G246 R247 | V239-A243 HydrophobicContact CG1-CB 3.79Å; S240-A243 WeakPolarHBondContact O-CA 3.47Å; S240-A243 WeakPolarHBondContact O-CB 3.47Å; S240-A243 PolarHBondContact O-N 2.75Å; A243-G246 PolarHBondContact O-N 2.91Å; A243-R247 WeakPolarHBondContact O-CG 3.27Å; A243-R247 PolarHBondContact O-N 3.32Å |
| 244 | V | 68.4 | Low | 55 | Low | 82 Ų | 82 | 122.9 Ų | 122.9 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.3 | -49.2 | 173 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | V239 S240 R241 G246 R247 A248 | V239-V244 HydrophobicContact CG1-CG2 4Å; S240-V244 PolarHBondContact O-N 2.86Å; R241-V244 PolarHBondContact O-N 2.92Å; V244-G246 VanDerWaalsContact C-N 3.35Å; V244-G246 PolarHBondContact O-N 3.24Å; V244-R247 PolarHBondContact O-N 2.7Å; V244-A248 WeakPolarHBondContact O-CB 3.47Å; V244-A248 PolarHBondContact O-N 3.36Å |
| 245 | I | 58.8 | Low | 56.4 | Low | 100 Ų | 100 | 121.4 Ų | 121.4 | 51% | 0.513 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.6 | -43 | 175.6 | -68.4 | 163.2 | 0 | 0 | 0 | 110.9 | R241 A248 I249 | R241-I245 WeakPolarHBondContact O-CB 3.24Å; R241-I245 WeakPolarHBondContact O-CD1 3.35Å; R241-I245 VanDerWaalsContact O-CG1 3.22Å; R241-I245 WeakPolarHBondContact O-CG1 3.34Å; R241-I245 PolarHBondContact O-N 3.37Å; I245-A248 PolarHBondContact O-N 3.32Å; I245-I249 HydrophobicContact CG2-CD1 3.78Å; I245-I249 HydrophobicContact CG2-CG1 4.42Å; I245-I249 WeakPolarHBondContact O-CG1 3.17Å; I245-I249 PolarHBondContact O-N 2.93Å |
| 246 | G | 64.7 | Low | 58 | Low | 31 Ų | 31 | 119.2 Ų | 119.2 | 32% | 0.32 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -58.9 | -47.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | K242 A243 V244 A248 I249 M250 | K242-G246 PolarHBondContact O-N 2.85Å; A243-G246 PolarHBondContact O-N 2.91Å; V244-G246 VanDerWaalsContact C-N 3.35Å; V244-G246 PolarHBondContact O-N 3.24Å; G246-A248 VanDerWaalsContact C-N 3.33Å; G246-A248 PolarHBondContact O-N 2.91Å; G246-I249 PolarHBondContact O-N 3.16Å; G246-M250 WeakPolarHBondContact O-CG 3.45Å; G246-M250 PolarHBondContact O-N 2.62Å |
| 247 | R | 71.2 | Confident | 58.5 | Low | 164 Ų | 164 | 119.5 Ų | 119.5 | 62% | 0.619 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.1 | -38.8 | 175 | -69.8 | 177.5 | -170 | -157 | 3.8 | 111.9 | A243 V244 R251 | A243-R247 WeakPolarHBondContact O-CG 3.27Å; A243-R247 PolarHBondContact O-N 3.32Å; V244-R247 PolarHBondContact O-N 2.7Å; R247-R251 WeakPolarHBondContact O-CB 3.39Å; R247-R251 VanDerWaalsContact O-CG 3.3Å; R247-R251 WeakPolarHBondContact O-CG 3.18Å; R247-R251 PolarHBondContact O-N 3.32Å |
| 248 | A | 66.8 | Low | 58.9 | Low | 57 Ų | 57 | 115.4 Ų | 115.4 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -42.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V244 I245 G246 R251 R252 | V244-A248 WeakPolarHBondContact O-CB 3.47Å; V244-A248 PolarHBondContact O-N 3.36Å; I245-A248 PolarHBondContact O-N 3.32Å; G246-A248 VanDerWaalsContact C-N 3.33Å; G246-A248 PolarHBondContact O-N 2.91Å; A248-R251 PolarHBondContact O-N 3.28Å; A248-R252 PolarHBondContact O-N 3.27Å |
| 249 | I | 64 | Low | 59 | Low | 95 Ų | 95 | 113.3 Ų | 113.3 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.6 | -47.7 | 174.9 | -68.1 | 167.1 | 0 | 0 | 0 | 110.4 | I245 G246 R251 R252 L253 | I245-I249 HydrophobicContact CG2-CD1 3.78Å; I245-I249 HydrophobicContact CG2-CG1 4.42Å; I245-I249 WeakPolarHBondContact O-CG1 3.17Å; I245-I249 PolarHBondContact O-N 2.93Å; G246-I249 PolarHBondContact O-N 3.16Å; I249-R251 VanDerWaalsContact C-N 3.33Å; I249-R251 PolarHBondContact O-N 3.18Å; I249-R252 PolarHBondContact O-N 3.44Å; I249-R252 VanDerWaalsContact O-N 3.11Å; I249-L253 HydrophobicContact CG2-CD1 3.95Å; I249-L253 HydrophobicContact CG2-CG 4.37Å; I249-L253 WeakPolarHBondContact O-CG 3.29Å; I249-L253 PolarHBondContact O-N 2.88Å |
| 250 | M | 68.8 | Low | 58.5 | Low | 89 Ų | 89 | 116.1 Ų | 116.1 | 44% | 0.438 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.9 | -37 | 178 | -70.1 | -63.7 | -82.5 | 0 | 0 | 112.6 | G246 L253 K254 | G246-M250 WeakPolarHBondContact O-CG 3.45Å; G246-M250 PolarHBondContact O-N 2.62Å; M250-L253 PolarHBondContact O-N 3.24Å; M250-L253 HydrophobicContact SD-CD1 4.41Å; M250-K254 WeakPolarHBondContact O-CB 3.15Å; M250-K254 PolarHBondContact O-N 3.25Å |
| 251 | R | 70.3 | Confident | 56.8 | Low | 200 Ų | 200 | 119.6 Ų | 119.6 | 76% | 0.755 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.4 | -42.4 | 171.3 | -78.3 | 175.7 | 175.2 | -177.7 | -3 | 112.1 | R247 A248 I249 K255 | R247-R251 WeakPolarHBondContact O-CB 3.39Å; R247-R251 VanDerWaalsContact O-CG 3.3Å; R247-R251 WeakPolarHBondContact O-CG 3.18Å; R247-R251 PolarHBondContact O-N 3.32Å; A248-R251 PolarHBondContact O-N 3.28Å; I249-R251 VanDerWaalsContact C-N 3.33Å; I249-R251 PolarHBondContact O-N 3.18Å; R251-K255 WeakPolarHBondContact O-CB 3.16Å; R251-K255 PolarHBondContact O-N 3.03Å |
| 252 | R | 72.3 | Confident | 55.9 | Low | 193 Ų | 193 | 117.4 Ų | 117.4 | 73% | 0.728 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.2 | -40.9 | 177.1 | -168.6 | 170.7 | -177.4 | 137.9 | -0.1 | 111.7 | A248 I249 K255 Q256 | A248-R252 PolarHBondContact O-N 3.27Å; I249-R252 PolarHBondContact O-N 3.44Å; I249-R252 VanDerWaalsContact O-N 3.11Å; R252-K255 PolarHBondContact O-N 3.2Å; R252-Q256 WeakPolarHBondContact O-CG 3.42Å; R252-Q256 PolarHBondContact O-N 3.11Å; R252-Q256 VanDerWaalsContact O-N 3.09Å |
| 253 | L | 61.5 | Low | 54.9 | Low | 87 Ų | 87 | 114.2 Ų | 114.2 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.4 | -48.1 | 175 | -69.6 | 172.7 | 0 | 0 | 0 | 111.9 | I249 M250 K255 Q256 H257 | I249-L253 HydrophobicContact CG2-CD1 3.95Å; I249-L253 HydrophobicContact CG2-CG 4.37Å; I249-L253 WeakPolarHBondContact O-CG 3.29Å; I249-L253 PolarHBondContact O-N 2.88Å; M250-L253 PolarHBondContact O-N 3.24Å; M250-L253 HydrophobicContact SD-CD1 4.41Å; L253-K255 VanDerWaalsContact C-N 3.34Å; L253-K255 PolarHBondContact O-N 3.03Å; L253-Q256 PolarHBondContact O-N 2.85Å; L253-Q256 VanDerWaalsContact O-N 3.09Å; L253-H257 PolarHBondContact O-CD2 2.89Å; L253-H257 PolarHBondContact O-N 3.48Å; L253-H257 VanDerWaalsContact O-N 3.08Å |
| 254 | K | 59.4 | Low | 53.4 | Low | 158 Ų | 158 | 124 Ų | 124 | 69% | 0.687 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -56 | -47.4 | 173.1 | -84 | -159.3 | 170.9 | -164.9 | 0 | 111.4 | M250 Q256 H257 S258 | M250-K254 WeakPolarHBondContact O-CB 3.15Å; M250-K254 PolarHBondContact O-N 3.25Å; K254-Q256 PolarHBondContact O-N 2.94Å; K254-H257 PolarHBondContact O-N 3.45Å; K254-S258 PolarHBondContact O-N 3.41Å; K254-S258 PolarHBondContact O-OG 2.89Å |
| 255 | K | 61.3 | Low | 51.2 | Low | 176 Ų | 176 | 125.5 Ų | 125.5 | 77% | 0.765 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.3 | -19.3 | 179 | -159.7 | 173.7 | -175.2 | -178.2 | 0 | 114 | R251 R252 L253 | R251-K255 WeakPolarHBondContact O-CB 3.16Å; R251-K255 PolarHBondContact O-N 3.03Å; R252-K255 PolarHBondContact O-N 3.2Å; L253-K255 VanDerWaalsContact C-N 3.34Å; L253-K255 PolarHBondContact O-N 3.03Å |
| 256 | Q | 60.5 | Low | 49.5 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 64% | 0.64 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82.2 | -31.3 | 170.6 | -66 | -91.3 | -107.7 | 0 | 0 | 112.5 | R252 L253 K254 | R252-Q256 WeakPolarHBondContact O-CG 3.42Å; R252-Q256 PolarHBondContact O-N 3.11Å; R252-Q256 VanDerWaalsContact O-N 3.09Å; L253-Q256 PolarHBondContact O-N 2.85Å; L253-Q256 VanDerWaalsContact O-N 3.09Å; K254-Q256 PolarHBondContact O-N 2.94Å |
| 257 | H | 43.9 | Very low | 47.5 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 57% | 0.565 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -84 | -37.6 | 177.7 | -77.4 | -70.6 | 0 | 0 | 0 | 113.9 | L253 K254 A259 I260 | L253-H257 PolarHBondContact O-CD2 2.89Å; L253-H257 PolarHBondContact O-N 3.48Å; L253-H257 VanDerWaalsContact O-N 3.08Å; K254-H257 PolarHBondContact O-N 3.45Å; H257-A259 PolarHBondContact O-N 2.91Å; H257-I260 WeakPolarHBondContact O-CB 3.45Å; H257-I260 PolarHBondContact O-N 3.25Å |
| 258 | S | 42.5 | Very low | 45 | Very low | 64 Ų | 64 | 131.8 Ų | 131.8 | 45% | 0.448 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -63.6 | -13.3 | -179.8 | -60 | 0 | 0 | 0 | 0 | 114.1 | K254 I260 | K254-S258 PolarHBondContact O-N 3.41Å; K254-S258 PolarHBondContact O-OG 2.89Å; S258-I260 PolarHBondContact O-N 3.38Å |
| 259 | A | 39.2 | Very low | 42.8 | Very low | 80 Ų | 80 | 135 Ų | 135 | 66% | 0.661 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -69.4 | -5.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H257 | H257-A259 PolarHBondContact O-N 2.91Š|
| 260 | I | 34.7 | Very low | 40.7 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 70% | 0.697 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -108 | -14.3 | -176.5 | -60.4 | 169.4 | 0 | 0 | 0 | 111.9 | H257 S258 | H257-I260 WeakPolarHBondContact O-CB 3.45Å; H257-I260 PolarHBondContact O-N 3.25Å; S258-I260 PolarHBondContact O-N 3.38Å |
| 261 | E | 32.7 | Very low | 38.4 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | trans | -91.3 | 0.9 | -170.8 | -69.9 | 172.7 | 152 | 0 | 0 | 114.5 | G263 | E261-G263 VanDerWaalsContact C-N 3.27Å; E261-G263 PolarHBondContact O-N 2.93Å | ||
| 262 | L | 30.7 | Very low | 36.1 | Very low | 173 Ų | 173 | 134 Ų | 134 | 91% | 0.906 | 71% | 0.709 | S | S | * | * | trans | -81.6 | 66.1 | 173.7 | -69.9 | 174.9 | 0 | 0 | 0 | 111.6 | ||||
| 263 | G | 26.3 | Very low | 33.6 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | -157.3 | 24.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117 | E261 | E261-G263 VanDerWaalsContact C-N 3.27Å; E261-G263 PolarHBondContact O-N 2.93Å | ||
| 264 | R | 23.3 | Very low | 31.6 | Very low | 246 Ų | 246 | 132.8 Ų | 132.8 | 93% | 0.928 | 70% | 0.704 | S | S | * | * | trans | -142.6 | 104.9 | 172.1 | -78.8 | -170.7 | 170.6 | -174.2 | -4.3 | 112.3 | ||||
| 265 | S | 23.1 | Very low | 29.7 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | trans | -94.9 | 138.7 | 158 | 51.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 266 | I | 22.2 | Very low | 27.8 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | trans | -89.5 | 120.2 | -173.9 | -63.5 | 164.9 | 0 | 0 | 0 | 109.1 | T268 | I266-T268 HydrophobicContact CG2-CG2 3.89Š| ||
| 267 | N | 22.1 | Very low | 25.9 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | -107.9 | 98 | 168 | -79.6 | 3.4 | 0 | 0 | 0 | 109.3 | ||||
| 268 | T | 19.2 | Very low | 24.8 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | -93.9 | 123.5 | 168.7 | 43.7 | 0 | 0 | 0 | 0 | 110 | I266 | I266-T268 HydrophobicContact CG2-CG2 3.89Š| ||
| 269 | T | 20.2 | Very low | 23.7 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | trans | -134.8 | 97.5 | 173.9 | 25.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 270 | T | 20.8 | Very low | 22.9 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | 43.2 | 116 | 136.6 | 56.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 271 | N | 19.9 | Very low | 22.2 | Very low | 118 Ų | 118 | 135 Ų | 135 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | trans | -63.8 | 167.6 | 171.9 | -47.8 | 18.8 | 0 | 0 | 0 | 113.5 | D1362 | N271-D1362 WeakPolarHBondContact CB-OD2 3.33Å; N271-D1362 PolarHBondContact ND2-OD2 3.45Å | ||
| 272 | T | 21.5 | Very low | 21.6 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | -144.4 | 108.2 | 164.8 | -23.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 273 | T | 20.4 | Very low | 21.1 | Very low | 35 Ų | 35 | 131 Ų | 131 | 22% | 0.215 | 74% | 0.735 | C | S | . | * | trans | -66.5 | 146.6 | -174.3 | -37.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 274 | Y | 20.1 | Very low | 20.9 | Very low | 220 Ų | 220 | 133.1 Ų | 133.1 | 86% | 0.863 | 74% | 0.735 | S | S | * | * | trans | -135.9 | 151.8 | 160.6 | -98.8 | -79.6 | 0 | 0 | 0 | 112.7 | ||||
| 275 | I | 19.4 | Very low | 20.8 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | trans | -102 | 142.2 | -167.3 | -60.5 | 153.1 | 0 | 0 | 0 | 110.2 | ||||
| 276 | T | 20.7 | Very low | 20.8 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 80% | 0.798 | 73% | 0.729 | S | S | * | * | trans | -169.7 | 112.6 | 131.9 | 22.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 277 | T | 21.4 | Very low | 20.8 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | trans | 30.7 | 123.9 | 134 | 56.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 278 | N | 21 | Very low | 20.8 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | trans | -58 | 145.1 | 156 | -62.2 | -41.8 | 0 | 0 | 0 | 112.9 | ||||
| 279 | T | 19.9 | Very low | 20.9 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | trans | -156.7 | 110.5 | 139.7 | 8.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 280 | T | 20.5 | Very low | 21 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | trans | 36.3 | 138.3 | 133 | 61 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 281 | N | 20.4 | Very low | 21.1 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 102.1 | 122.1 | 141.7 | -65.8 | -16.1 | 0 | 0 | 0 | 120.9 | ||||
| 282 | T | 20.1 | Very low | 21.2 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | trans | 65 | 102.2 | 137 | 56.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 283 | T | 20.8 | Very low | 21.1 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | 20.9 | 116.4 | 110.7 | 57.7 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 284 | T | 21.7 | Very low | 21.1 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | -178.7 | 117.2 | 90.1 | 39.8 | 0 | 0 | 0 | 0 | 110.3 | T286 | T284-T286 PolarHBondContact O-N 3.41Š| |||
| 285 | N | 22 | Very low | 21.3 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 91% | 0.914 | 76% | 0.76 | S | S | * | * | trans | -88.8 | 91.1 | 164.7 | -84.3 | -21.3 | 0 | 0 | 0 | 109.2 | T287 | N285-T287 PolarHBondContact O-N 3.36Š| ||
| 286 | T | 22 | Very low | 21.4 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | trans | -78.3 | 95.3 | 173.3 | 35.8 | 0 | 0 | 0 | 0 | 110.8 | T284 T288 | T284-T286 PolarHBondContact O-N 3.41Å; T286-T288 PolarHBondContact O-N 3.48Å; T286-T288 VanDerWaalsContact O-N 3.15Å | ||
| 287 | T | 22 | Very low | 21.4 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | -67.2 | 106.3 | 165.6 | 26.7 | 0 | 0 | 0 | 0 | 110.2 | N285 | N285-T287 PolarHBondContact O-N 3.36Š| ||
| 288 | T | 22.9 | Very low | 21.4 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | trans | -95.3 | 126.7 | 174.4 | 41.7 | 0 | 0 | 0 | 0 | 111.4 | T286 | T286-T288 PolarHBondContact O-N 3.48Å; T286-T288 VanDerWaalsContact O-N 3.15Å | ||
| 289 | N | 22 | Very low | 21.6 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -73.7 | 141.7 | 175.8 | -60.6 | -45.6 | 0 | 0 | 0 | 110.8 | ||||
| 290 | T | 22.5 | Very low | 21.6 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -123.8 | 107 | 160 | 36.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 291 | T | 21.8 | Very low | 21.7 | Very low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | -99.5 | 126.5 | 177.4 | -48.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 292 | T | 21.5 | Very low | 21.7 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -137.7 | 111.5 | 178.2 | 25.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 293 | T | 20.7 | Very low | 21.9 | Very low | 116 Ų | 116 | 130 Ų | 130 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | 31.1 | 122.6 | 123.4 | 56.7 | 0 | 0 | 0 | 0 | 117 | |||||
| 294 | T | 20.5 | Very low | 21.9 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | cis | -169.3 | 179.8 | 41.2 | 33.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 295 | T | 23.2 | Very low | 21.9 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | cis | -168.6 | 163.8 | 48.1 | 40.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 296 | T | 22.6 | Very low | 22 | Very low | 111 Ų | 111 | 128 Ų | 128 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | trans | 41.5 | 102.1 | 147.8 | 55.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 297 | T | 21 | Very low | 22 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | 63.4 | 114.8 | 81.1 | 64.9 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 298 | T | 21 | Very low | 22 | Very low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 170.3 | 122.9 | 106.3 | 34.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 299 | T | 23.9 | Very low | 22.1 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | 174.5 | 138.6 | 121.8 | 38.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 300 | T | 19.7 | Very low | 22.5 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | -32.8 | 135.5 | 169.7 | 48.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 301 | T | 24 | Very low | 22.4 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | -168.7 | 159.9 | 111.7 | 17.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 302 | T | 20.7 | Very low | 22.5 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -110.6 | 136.4 | -176.9 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 303 | N | 24.5 | Very low | 22.6 | Very low | 164 Ų | 164 | 130 Ų | 130 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -163.1 | 173.5 | 153.5 | -102.3 | -16.7 | 0 | 0 | 0 | 111 | ||||
| 304 | T | 20.7 | Very low | 22.6 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | trans | -128.6 | 138 | -143.7 | 49.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 305 | T | 21.4 | Very low | 22.7 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | 66.8 | 151.5 | 140.1 | 55.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 306 | N | 23.2 | Very low | 22.8 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 81.2 | 119 | 164.9 | -56.5 | -24.8 | 0 | 0 | 0 | 115.6 | ||||
| 307 | N | 22.1 | Very low | 22.7 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | 72 | 133.1 | 73 | -72.5 | -9.4 | 0 | 0 | 0 | 112.4 | |||||
| 308 | T | 22.8 | Very low | 22.5 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | cis | -159.4 | 174.1 | 8 | 0.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 309 | N | 25.3 | Very low | 22.7 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -63.3 | -179.2 | 168.8 | -58 | -27.1 | 0 | 0 | 0 | 112.6 | ||||
| 310 | P | 29.8 | Very low | 22.6 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | -144 | -169.2 | 11.5 | 41.5 | -18.6 | 0 | 0 | 0 | 118.5 | ||||
| 311 | L | 20.9 | Very low | 22.7 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -50.7 | 163.2 | 174.8 | -57.1 | 65.2 | 0 | 0 | 0 | 116.3 | ||||
| 312 | T | 23.6 | Very low | 22.5 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | 171.2 | 170.8 | 116.8 | 34.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 313 | N | 23.3 | Very low | 22.5 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | cis | -174.1 | 157.3 | -48.2 | -168.1 | 16.7 | 0 | 0 | 0 | 109.5 | ||||
| 314 | L | 21.2 | Very low | 22.3 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | trans | 64.3 | 175.1 | 169 | -44.9 | 180 | 0 | 0 | 0 | 116.4 | ||||
| 315 | N | 21.6 | Very low | 22.3 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | -165.1 | 142.8 | -51.3 | -94.4 | -4.4 | 0 | 0 | 0 | 107.3 | |||||
| 316 | D | 26.5 | Very low | 22.3 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | -172.8 | 126.2 | 142.2 | -100.1 | -38.8 | 0 | 0 | 0 | 108.7 | ||||
| 317 | T | 20.4 | Very low | 22.3 | Very low | 111 Ų | 111 | 146.1 Ų | 146.1 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | cis | 81.2 | 95.9 | 46.1 | 29.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 318 | M | 16.9 | Very low | 22.3 | Very low | 156 Ų | 156 | 148 Ų | 148 | 77% | 0.768 | 77% | 0.767 | S | S | * | * | trans | 54.4 | 130 | 143.5 | -57.3 | -168.4 | 78.2 | 0 | 0 | 122 | ||||
| 319 | T | 25.1 | Very low | 22.3 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | -158.6 | 157.3 | 115.6 | 4.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 320 | N | 20.4 | Very low | 22.1 | Very low | 138 Ų | 138 | 148.4 Ų | 148.4 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -98.1 | 174.6 | 179.3 | -80.1 | -38 | 0 | 0 | 0 | 111.8 | ||||
| 321 | K | 22.7 | Very low | 21.8 | Very low | 184 Ų | 184 | 149.7 Ų | 149.7 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | 109.7 | 139.8 | 162.6 | -63.2 | -173.2 | 174.2 | -176.8 | 0 | 115.2 | ||||
| 322 | E | 19.4 | Very low | 21.8 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 62% | 0.621 | 77% | 0.771 | S | S | * | * | cis | -165.4 | 157.9 | -19.3 | -121.3 | 168.9 | -123.3 | 0 | 0 | 108.3 | ||||
| 323 | Q | 20.3 | Very low | 21.7 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | trans | 52.7 | 110.2 | 160.1 | -55.9 | 173 | 52 | 0 | 0 | 117.3 | ||||
| 324 | I | 20.7 | Very low | 21.6 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | cis | 57.5 | 101.2 | 48.8 | -48.9 | 179.8 | 0 | 0 | 0 | 114.5 | ||||
| 325 | Q | 20.9 | Very low | 21.8 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | -159.7 | 137.6 | 129.8 | -110.1 | 163.5 | 93.1 | 0 | 0 | 112.1 | |||||
| 326 | Q | 21.7 | Very low | 21.9 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 37.3 | 107.1 | 151.2 | -58.8 | 168 | 33 | 0 | 0 | 117.4 | ||||
| 327 | K | 21.9 | Very low | 21.8 | Very low | 209 Ų | 209 | 151.3 Ų | 151.3 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | cis | 68.3 | 72.4 | 17.7 | -158.6 | -168.3 | -178.5 | -176.8 | 0 | 115.9 | ||||
| 328 | E | 23.2 | Very low | 21.9 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -130.6 | 135.1 | 150.4 | -113.5 | 176.8 | -154.9 | 0 | 0 | 112.3 | ||||
| 329 | T | 23.2 | Very low | 22.2 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | 30 | 116 | 163.7 | 43.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 330 | N | 21.5 | Very low | 22.2 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -99.3 | 149.4 | 167.9 | -66.7 | -58.8 | 0 | 0 | 0 | 113.1 | ||||
| 331 | N | 22.3 | Very low | 22.3 | Very low | 144 Ų | 144 | 150.8 Ų | 150.8 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 61.7 | 148 | 141 | -69.1 | -16.1 | 0 | 0 | 0 | 123.6 | ||||
| 332 | S | 20.5 | Very low | 22.5 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 82 | 154.4 | 157.7 | -25.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 333 | I | 22.9 | Very low | 22.8 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -133.2 | 146.7 | 7.2 | -64.3 | 170.9 | 0 | 0 | 0 | 110.3 | N335 | I333-N335 WeakPolarHBondContact CG2-OD1 3.44Š| ||
| 334 | S | 20.4 | Very low | 23 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | -91.9 | 106 | 163 | 58.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 335 | N | 24.4 | Very low | 23.2 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -99.5 | 160.6 | -178.1 | -98.5 | -5.1 | 0 | 0 | 0 | 114.4 | I333 | I333-N335 WeakPolarHBondContact CG2-OD1 3.44Š| ||
| 336 | Q | 24.1 | Very low | 23.4 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -87.1 | 138.9 | -164.1 | -63.9 | 159.1 | -32.1 | 0 | 0 | 113.7 | N338 | Q336-N338 PolarHBondContact O-N 2.95Š| ||
| 337 | Q | 24.9 | Very low | 23.6 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | trans | -96.3 | 74.6 | 161.9 | -71.6 | -170.7 | -8 | 0 | 0 | 110.8 | ||||
| 338 | N | 22.1 | Very low | 23.6 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | trans | -121.5 | 67.1 | 170.4 | -169.9 | 47.7 | 0 | 0 | 0 | 110.3 | Q336 D340 | Q336-N338 PolarHBondContact O-N 2.95Å; N338-D340 PolarHBondContact O-N 2.97Å | ||
| 339 | I | 24.2 | Very low | 23.8 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 67% | 0.672 | 74% | 0.74 | S | S | * | * | trans | -83.1 | 83 | -168.9 | -51.4 | 175.2 | 0 | 0 | 0 | 110.4 | Y341 | I339-Y341 HydrophobicContact CG2-CD2 4.18Å; I339-Y341 PolarHBondContact O-N 3.33Å | ||
| 340 | D | 23.6 | Very low | 23.9 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 60% | 0.599 | 74% | 0.739 | S | S | * | * | trans | -70.5 | 102.7 | 162.1 | -102.5 | -29.7 | 0 | 0 | 0 | 108.4 | N338 I342 F386 | N338-D340 PolarHBondContact O-N 2.97Å; D340-I342 PolarHBondContact O-N 3.49Å; D340-F386 VanDerWaalsContact OD1-CZ 3.28Å; D340-F386 WeakPolarHBondContact OD1-CZ 3.15Å | ||
| 341 | Y | 24.2 | Very low | 24.2 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 63% | 0.627 | 74% | 0.741 | S | S | * | * | trans | -66.7 | 104.8 | -166.8 | -141.3 | -81.1 | 0 | 0 | 0 | 112.1 | I339 I343 | I339-Y341 HydrophobicContact CG2-CD2 4.18Å; I339-Y341 PolarHBondContact O-N 3.33Å; Y341-I343 HydrophobicContact CD1-CG1 4.21Å | ||
| 342 | I | 25.4 | Very low | 24.5 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | trans | -68.7 | 130.9 | 168.1 | -60.9 | 174.7 | 0 | 0 | 0 | 107.9 | D340 | D340-I342 PolarHBondContact O-N 3.49Š| ||
| 343 | I | 26 | Very low | 25.2 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 54% | 0.544 | 74% | 0.736 | S | S | . | * | trans | -111.6 | 122.3 | 172.2 | -65.6 | -179.9 | 0 | 0 | 0 | 107.8 | Y341 P406 | Y341-I343 HydrophobicContact CD1-CG1 4.21Å; I343-P406 HydrophobicContact CD1-CB 4.25Å | ||
| 344 | D | 24.1 | Very low | 25.9 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 57% | 0.567 | 74% | 0.743 | S | S | * | * | trans | -60.4 | 147.7 | 176.5 | -172.6 | 10.1 | 0 | 0 | 0 | 111.7 | Q346 | D344-Q346 VanDerWaalsContact OD2-CG 3.23Å; D344-Q346 WeakPolarHBondContact OD2-CG 3.23Å; D344-Q346 PolarHBondContact OD2-NE2 3.31Å | ||
| 345 | Y | 26.8 | Very low | 27 | Very low | 214 Ų | 214 | 148.2 Ų | 148.2 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | trans | -142.3 | 83.4 | 170.6 | -139.6 | -73.6 | 0 | 0 | 0 | 109 | S347 | Y345-S347 PolarHBondContact O-N 3.46Š| ||
| 346 | Q | 23.9 | Very low | 28 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 71% | 0.71 | 73% | 0.729 | S | S | * | * | trans | -60 | 118.2 | -174.9 | -65.3 | 168.2 | -0.5 | 0 | 0 | 111.1 | D344 | D344-Q346 VanDerWaalsContact OD2-CG 3.23Å; D344-Q346 WeakPolarHBondContact OD2-CG 3.23Å; D344-Q346 PolarHBondContact OD2-NE2 3.31Å | ||
| 347 | S | 26.1 | Very low | 29.3 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -138.6 | 91.8 | 163.7 | 62.7 | 0 | 0 | 0 | 0 | 108 | Y345 H349 | Y345-S347 PolarHBondContact O-N 3.46Å; S347-H349 PolarHBondContact O-N 2.89Å; S347-H349 VanDerWaalsContact O-N 3.1Å | ||
| 348 | D | 22.7 | Very low | 30.8 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | trans | -60.1 | 109.1 | -178.8 | -55.8 | -79 | 0 | 0 | 0 | 111.2 | ||||
| 349 | H | 27.5 | Very low | 33.1 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 81% | 0.81 | 69% | 0.694 | S | S | * | * | trans | -156.5 | 98.1 | 157.1 | -96.1 | 8.6 | 0 | 0 | 0 | 110.8 | S347 | S347-H349 PolarHBondContact O-N 2.89Å; S347-H349 VanDerWaalsContact O-N 3.1Å | ||
| 350 | H | 25.2 | Very low | 35.8 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | trans | 32.1 | 145.3 | 147.8 | -69.3 | -65 | 0 | 0 | 0 | 123.9 | ||||
| 351 | H | 27.5 | Very low | 39 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 83% | 0.833 | 66% | 0.663 | S | S | * | * | trans | 84.4 | 99 | 160.6 | -81.8 | 64.3 | 0 | 0 | 0 | 118.3 | ||||
| 352 | N | 27.8 | Very low | 42.3 | Very low | 146 Ų | 146 | 127.6 Ų | 127.6 | 78% | 0.781 | 65% | 0.646 | S | S | * | * | trans | -57 | 121.7 | 165.1 | 171.1 | 20.1 | 0 | 0 | 0 | 112.1 | ||||
| 353 | H | 36.2 | Very low | 45.6 | Very low | 149 Ų | 149 | 120.8 Ų | 120.8 | 69% | 0.69 | 61% | 0.611 | S | S | * | * | trans | -153.1 | 131 | 153.1 | -139 | -8.5 | 0 | 0 | 0 | 109.2 | N355 | H353-N355 PolarHBondContact O-N 2.91Å; H353-N355 PolarHBondContact O-ND2 2.99Å | ||
| 354 | N | 36.5 | Very low | 48.8 | Very low | 156 Ų | 156 | 118.9 Ų | 118.9 | 83% | 0.834 | 60% | 0.601 | S | S | * | * | trans | -49.9 | 106.7 | -172.7 | -73.6 | -25.5 | 0 | 0 | 0 | 113 | ||||
| 355 | N | 44.7 | Very low | 52.2 | Low | 112 Ų | 112 | 114 Ų | 114 | 60% | 0.599 | 57% | 0.574 | S | S | * | * | trans | -135.2 | 116.5 | 178.2 | -86.1 | -84.4 | 0 | 0 | 0 | 111 | H353 Q357 | H353-N355 PolarHBondContact O-N 2.91Å; H353-N355 PolarHBondContact O-ND2 2.99Å; N355-Q357 HydrophobicContact CB-CG 3.8Å; N355-Q357 PolarHBondContact O-N 3.38Å | ||
| 356 | N | 45.5 | Very low | 55.3 | Low | 125 Ų | 125 | 104.7 Ų | 104.7 | 67% | 0.668 | 54% | 0.54 | S | S | * | . | trans | -69 | 71.1 | 162.5 | -71.1 | -38.1 | 0 | 0 | 0 | 109.1 | L358 | N356-L358 PolarHBondContact O-N 3.3Š| ||
| 357 | Q | 51 | Low | 58.5 | Low | 141 Ų | 141 | 98 Ų | 98 | 66% | 0.659 | 51% | 0.512 | S | S | * | . | trans | -62.6 | 107.7 | -173.3 | -69.3 | -166.6 | 6.4 | 0 | 0 | 110.4 | T154 N355 I359 | T154-Q357 PolarHBondContact OG1-O 3.37Å; N355-Q357 HydrophobicContact CB-CG 3.8Å; N355-Q357 PolarHBondContact O-N 3.38Å; Q357-I359 PolarHBondContact O-N 3.47Å | ||
| 358 | L | 56.7 | Low | 61.6 | Low | 108 Ų | 108 | 95.1 Ų | 95.1 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | trans | -63.9 | 97.3 | 173.9 | -73 | 168.3 | 0 | 0 | 0 | 109.5 | Y152 K153 N356 S360 | Y152-L358 WeakPolarHBondContact O-CA 3.42Å; K153-L358 HydrophobicContact CG-CD2 3.94Å; N356-L358 PolarHBondContact O-N 3.3Å; L358-S360 PolarHBondContact O-N 3.16Å | ||
| 359 | I | 70.3 | Confident | 65 | Low | 89 Ų | 89 | 88.7 Ų | 88.7 | 46% | 0.456 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 110.9 | 177.7 | -62 | 178.3 | 0 | 0 | 0 | 108 | Y152 T154 Q357 V361 | Y152-I359 PolarHBondContact N-O 3.07Å; Y152-I359 VanDerWaalsContact N-O 3.08Å; Y152-I359 PolarHBondContact O-N 3.19Å; T154-I359 HydrophobicContact CG2-CD1 3.55Å; T154-I359 HydrophobicContact CG2-CG1 3.76Å; Q357-I359 PolarHBondContact O-N 3.47Å; I359-V361 HydrophobicContact CG2-CG2 4.06Å |
| 360 | S | 81.2 | Confident | 68.3 | Low | 83 Ų | 83 | 85.5 Ų | 85.5 | 58% | 0.58 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.7 | 174.8 | 70.6 | 0 | 0 | 0 | 0 | 110.6 | I150 L358 | I150-S360 WeakPolarHBondContact O-CA 3.16Å; L358-S360 PolarHBondContact O-N 3.16Å |
| 361 | V | 89.5 | Confident | 71.6 | Confident | 5 Ų | 5 | 82.1 Ų | 82.1 | 3% | 0.03 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.4 | -177.2 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | I150 Y152 I359 R382 S383 N384 | I150-V361 PolarHBondContact N-O 3.37Å; I150-V361 PolarHBondContact O-N 3.43Å; Y152-V361 HydrophobicContact CD2-CG2 3.94Å; Y152-V361 HydrophobicContact CE2-CB 3.91Å; Y152-V361 HydrophobicContact CE2-CG2 3.69Å; I359-V361 HydrophobicContact CG2-CG2 4.06Å; V361-R382 HydrophobicContact CG1-CB 3.95Å; V361-R382 HydrophobicContact CG1-CG 4.47Å; V361-S383 WeakPolarHBondContact CG1-OG 3.4Å; V361-N384 HydrophobicContact CG1-CB 4.31Å |
| 362 | I | 93.1 | Very high | 74.9 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 27% | 0.272 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 121.3 | 175 | -60.1 | 172.1 | 0 | 0 | 0 | 108.1 | K147 F149 I364 R382 S383 | K147-I362 HydrophobicContact CD-CG2 4.31Å; K147-I362 HydrophobicContact CG-CG2 3.65Å; F149-I362 HydrophobicContact CD1-CD1 4.36Å; F149-I362 HydrophobicContact CD1-CG1 3.71Å; F149-I362 HydrophobicContact CE1-CD1 3.82Å; F149-I362 HydrophobicContact CE1-CG1 3.68Å; I362-I364 HydrophobicContact CG2-CG1 4.32Å; I362-R382 CarbonylContact O-C 3.59Å; I362-R382 WeakPolarHBondContact O-CA 3.42Å; I362-S383 PolarHBondContact N-OG 3.31Å; I362-S383 PolarHBondContact O-N 2.9Å |
| 363 | E | 95.3 | Very high | 78.2 | Confident | 8 Ų | 8 | 71.9 Ų | 71.9 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.8 | 169.2 | -171.1 | 174.1 | 95.6 | 0 | 0 | 109.9 | K147 S148 I150 R374 A380 E381 R382 | K147-E363 CarbonylContact C-O 3.57Å; K147-E363 WeakPolarHBondContact CA-O 3.38Å; S148-E363 PolarHBondContact N-O 3.07Å; S148-E363 PolarHBondContact O-N 3.22Å; I150-E363 HydrophobicContact CD1-CB 3.58Å; I150-E363 HydrophobicContact CD1-CG 4.27Å; I150-E363 HydrophobicContact CG1-CB 4.29Å; E363-R374 IonicContact OE1-CZ 2.57Å; E363-R374 IonicContact OE1-NH1 2.76Å; E363-R374 PolarHBondContact OE1-NH1 2.82Å; E363-A380 HydrophobicContact CG-CB 4.29Å; E363-E381 CarbonylContact C-O 3.54Å; E363-E381 WeakPolarHBondContact CA-O 3.43Å; E363-R382 HydrophobicContact CB-CG 4.18Å; E363-R382 HydrophobicContact CG-CG 3.98Å; E363-R382 IonicContact OE2-CZ 2.72Å; E363-R382 VanDerWaalsContact OE2-CZ 3.22Å; E363-R382 IonicContact OE2-NE 2.64Å; E363-R382 PolarHBondContact OE2-NE 2.99Å; E363-R382 IonicContact OE2-NH2 3.22Å; E363-R382 PolarHBondContact OE2-NH2 2.9Å |
| 364 | I | 93.7 | Very high | 81 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 33% | 0.333 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 107.3 | 172.1 | -58.2 | 177.5 | 0 | 0 | 0 | 107.8 | V145 R146 K147 I362 A380 E381 | V145-I364 HydrophobicContact CG1-CG2 3.99Å; R146-I364 CarbonylContact O-C 3.47Å; R146-I364 VanDerWaalsContact O-CA 3.32Å; R146-I364 WeakPolarHBondContact O-CA 3.44Å; K147-I364 HydrophobicContact CB-CG1 4.47Å; K147-I364 HydrophobicContact CG-CG1 4.36Å; I362-I364 HydrophobicContact CG2-CG1 4.32Å; I364-A380 WeakPolarHBondContact O-CA 3.44Å; I364-E381 PolarHBondContact N-O 3.07Å; I364-E381 PolarHBondContact O-N 3.29Å |
| 365 | Y | 94.5 | Very high | 83.7 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 2% | 0.02 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 127.3 | 171.3 | 176.4 | -92.9 | 0 | 0 | 0 | 111.2 | V145 R146 E368 W369 R374 S375 I379 A380 W392 | V145-Y365 CarbonylContact C-O 3.49Å; V145-Y365 VanDerWaalsContact CA-O 3.23Å; V145-Y365 WeakPolarHBondContact CA-O 3.43Å; R146-Y365 PolarHBondContact N-O 3.4Å; R146-Y365 PolarHBondContact O-N 3.09Å; Y365-E368 PolarHBondContact OH-N 3.12Å; Y365-E368 PolarHBondContact OH-O 3.25Å; Y365-W369 AromaticContact CD1-CE2 3.62Å; Y365-W369 AromaticContact CD1-CZ2 3.5Å; Y365-W369 HydrophobicContact CD1-CZ2 3.5Å; Y365-W369 VanDerWaalsContact CD1-CZ2 3.5Å; Y365-W369 AromaticContact CD1-NE1 3.49Å; Y365-W369 HydrophobicContact CE1-CD2 4.5Å; Y365-W369 AromaticContact CE1-CE2 3.69Å; Y365-W369 AromaticContact CE1-CZ2 3.99Å; Y365-W369 HydrophobicContact CE1-CZ2 3.99Å; Y365-W369 AromaticContact CE1-NE1 3.39Å; Y365-W369 HydrophobicContact CG-CZ2 4.39Å; Y365-R374 HydrophobicContact CD1-CG 3.85Å; Y365-R374 VanDerWaalsContact CD2-CD 3.44Å; Y365-R374 HydrophobicContact CD2-CG 4.12Å; Y365-R374 HydrophobicContact CE1-CB 4.09Å; Y365-R374 HydrophobicContact CE1-CG 3.73Å; Y365-R374 HydrophobicContact CE2-CB 4.03Å; Y365-R374 HydrophobicContact CE2-CG 4.01Å; Y365-R374 HydrophobicContact CG-CG 4.02Å; Y365-S375 PolarHBondContact OH-O 2.95Å; Y365-I379 CarbonylContact C-O 3.54Å; Y365-I379 WeakPolarHBondContact CA-O 3.26Å; Y365-I379 WeakPolarHBondContact CD2-O 3.42Å; Y365-A380 HydrophobicContact CD2-CB 4.26Å; Y365-W392 HydrophobicContact CD2-CZ2 4.2Å; Y365-W392 AromaticContact CE2-CD1 3.91Å; Y365-W392 HydrophobicContact CE2-CD2 4.01Å; Y365-W392 AromaticContact CE2-CE2 3.66Å; Y365-W392 HydrophobicContact CE2-CG 4.14Å; Y365-W392 HydrophobicContact CE2-CZ2 4.11Å; Y365-W392 AromaticContact CE2-NE1 3.6Å |
| 366 | S | 91.5 | Very high | 85.9 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 111.5 | 173.2 | -54.1 | 0 | 0 | 0 | 0 | 110.1 | G378 I379 | S366-G378 WeakPolarHBondContact O-CA 3.16Å; S366-I379 PolarHBondContact N-O 2.99Å; S366-I379 PolarHBondContact O-N 2.9Å |
| 367 | G | 91.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179 | -159.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.6 | G144 Y377 | G144-G367 PolarHBondContact N-O 3.31Å; G144-G367 VanDerWaalsContact N-O 3.11Å; G144-G367 PolarHBondContact O-N 2.9Å; G367-Y377 WeakPolarHBondContact CA-O 3.34Å |
| 368 | E | 91.9 | Very high | 90 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 22% | 0.22 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 134.3 | -179.3 | -70.4 | 173.8 | 136.1 | 0 | 0 | 111.8 | G142 L143 Y365 S375 G376 Y377 H442 | G142-E368 CarbonylContact O-C 3.52Å; G142-E368 WeakPolarHBondContact O-CA 3.2Å; L143-E368 HydrophobicContact CD2-CG 3.68Å; Y365-E368 PolarHBondContact OH-N 3.12Å; Y365-E368 PolarHBondContact OH-O 3.25Å; E368-S375 VanDerWaalsContact C-OG 3.25Å; E368-S375 CarbonylContact O-C 3.48Å; E368-S375 WeakPolarHBondContact O-CA 3.21Å; E368-S375 PolarHBondContact O-N 3.29Å; E368-S375 PolarHBondContact O-OG 3Å; E368-G376 WeakPolarHBondContact OE2-CA 3.37Å; E368-Y377 PolarHBondContact N-O 3.32Å; E368-Y377 PolarHBondContact OE2-N 3.46Å; E368-H442 IonicContact OE1-CE1 2.69Å; E368-H442 IonicContact OE1-ND1 2.63Å |
| 369 | W | 94.5 | Very high | 91.6 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 5% | 0.045 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143 | -178.5 | -71.5 | 82.6 | 0 | 0 | 0 | 111.1 | Y131 R140 H141 G142 G144 R146 Y365 D372 Q373 R374 | Y131-W369 HydrophobicContact CD2-CZ2 4.26Å; Y131-W369 AromaticContact CE2-CD1 3.83Å; Y131-W369 AromaticContact CE2-CD2 3.82Å; Y131-W369 HydrophobicContact CE2-CD2 3.82Å; Y131-W369 AromaticContact CE2-CE2 3.65Å; Y131-W369 HydrophobicContact CE2-CE3 4.49Å; Y131-W369 AromaticContact CE2-CG 3.94Å; Y131-W369 HydrophobicContact CE2-CG 3.94Å; Y131-W369 HydrophobicContact CE2-CZ2 4.19Å; Y131-W369 AromaticContact CE2-NE1 3.62Å; R140-W369 HydrophobicContact CB-CE3 4.23Å; H141-W369 CarbonylContact C-O 3.49Å; H141-W369 VanDerWaalsContact C-O 3.27Å; H141-W369 WeakPolarHBondContact CA-O 3.36Å; G142-W369 PolarHBondContact N-O 3.35Å; G142-W369 PolarHBondContact O-N 2.96Å; G144-W369 PolarHBondContact O-NE1 3.21Å; R146-W369 HydrophobicContact CB-CH2 4.23Å; R146-W369 HydrophobicContact CB-CZ2 3.74Å; Y365-W369 AromaticContact CD1-CE2 3.62Å; Y365-W369 AromaticContact CD1-CZ2 3.5Å; Y365-W369 HydrophobicContact CD1-CZ2 3.5Å; Y365-W369 VanDerWaalsContact CD1-CZ2 3.5Å; Y365-W369 AromaticContact CD1-NE1 3.49Å; Y365-W369 HydrophobicContact CE1-CD2 4.5Å; Y365-W369 AromaticContact CE1-CE2 3.69Å; Y365-W369 AromaticContact CE1-CZ2 3.99Å; Y365-W369 HydrophobicContact CE1-CZ2 3.99Å; Y365-W369 AromaticContact CE1-NE1 3.39Å; Y365-W369 HydrophobicContact CG-CZ2 4.39Å; W369-D372 WeakPolarHBondContact CZ3-O 3.3Å; W369-Q373 WeakPolarHBondContact CA-O 3.46Å; W369-R374 HydrophobicContact CE3-CG 4.4Å; W369-R374 HydrophobicContact CH2-CG 3.68Å; W369-R374 HydrophobicContact CZ2-CG 3.88Å; W369-R374 HydrophobicContact CZ3-CG 3.96Å |
| 370 | F | 96 | Very high | 92.8 | Very high | 108 Ų | 108 | 36.9 Ų | 36.9 | 47% | 0.474 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 112.3 | 175.3 | -175.2 | -91.9 | 0 | 0 | 0 | 110 | H141 Q373 S375 | H141-F370 AromaticContact CE1-CD2 3.43Å; H141-F370 VanDerWaalsContact CE1-CD2 3.43Å; H141-F370 WeakPolarHBondContact CE1-CD2 3.39Å; H141-F370 AromaticContact CE1-CE2 3.63Å; F370-Q373 PolarHBondContact N-O 3.32Å; F370-Q373 PolarHBondContact O-N 3.4Å; F370-S375 PolarHBondContact N-OG 3.46Å |
| 371 | Q | 95.7 | Very high | 93.4 | Very high | 105 Ų | 105 | 36.7 Ų | 36.7 | 49% | 0.491 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 59.6 | -179.9 | -57.9 | -172 | -81.6 | 0 | 0 | 111.7 | R140 Q373 | R140-Q371 PolarHBondContact O-N 3.17Å; Q371-Q373 PolarHBondContact O-N 3.3Å |
| 372 | D | 96.6 | Very high | 93.6 | Very high | 34 Ų | 34 | 40 Ų | 40 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 8.9 | 179.7 | -77.7 | 5.8 | 0 | 0 | 0 | 116.5 | R140 W369 | R140-D372 VanDerWaalsContact CB-OD1 3.31Å; R140-D372 WeakPolarHBondContact CB-OD1 3.45Å; R140-D372 IonicContact CZ-OD1 3.55Å; R140-D372 IonicContact CZ-OD2 3.56Å; R140-D372 PolarHBondContact N-OD1 3.35Å; R140-D372 IonicContact NE-OD1 3.62Å; R140-D372 PolarHBondContact NE-OD1 3.15Å; R140-D372 IonicContact NE-OD2 2.6Å; R140-D372 PolarHBondContact NE-OD2 3.41Å; R140-D372 IonicContact NH2-OD1 2.66Å; R140-D372 IonicContact NH2-OD2 3.68Å; R140-D372 PolarHBondContact NH2-OD2 3.21Å; R140-D372 PolarHBondContact O-N 2.76Å; W369-D372 WeakPolarHBondContact CZ3-O 3.3Å |
| 373 | Q | 96.9 | Very high | 93.6 | Very high | 76 Ų | 76 | 41.3 Ų | 41.3 | 36% | 0.355 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.2 | 179.7 | -61.9 | 170.5 | 17.2 | 0 | 0 | 111.3 | W369 F370 Q371 S375 R394 | W369-Q373 WeakPolarHBondContact CA-O 3.46Å; F370-Q373 PolarHBondContact N-O 3.32Å; F370-Q373 PolarHBondContact O-N 3.4Å; Q371-Q373 PolarHBondContact O-N 3.3Å; Q373-S375 PolarHBondContact O-N 3.12Å; Q373-R394 VanDerWaalsContact OE1-CG 3.32Å |
| 374 | R | 95.3 | Very high | 93.4 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 16% | 0.158 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 132.2 | 167 | -58.8 | 178 | -69.4 | -166.4 | 3.8 | 109 | E363 Y365 W369 W392 R394 N395 | E363-R374 IonicContact OE1-CZ 2.57Å; E363-R374 IonicContact OE1-NH1 2.76Å; E363-R374 PolarHBondContact OE1-NH1 2.82Å; Y365-R374 HydrophobicContact CD1-CG 3.85Å; Y365-R374 VanDerWaalsContact CD2-CD 3.44Å; Y365-R374 HydrophobicContact CD2-CG 4.12Å; Y365-R374 HydrophobicContact CE1-CB 4.09Å; Y365-R374 HydrophobicContact CE1-CG 3.73Å; Y365-R374 HydrophobicContact CE2-CB 4.03Å; Y365-R374 HydrophobicContact CE2-CG 4.01Å; Y365-R374 HydrophobicContact CG-CG 4.02Å; W369-R374 HydrophobicContact CE3-CG 4.4Å; W369-R374 HydrophobicContact CH2-CG 3.68Å; W369-R374 HydrophobicContact CZ2-CG 3.88Å; W369-R374 HydrophobicContact CZ3-CG 3.96Å; R374-W392 HydrophobicContact CB-CB 4.47Å; R374-W392 HydrophobicContact CB-CD2 4.37Å; R374-W392 HydrophobicContact CB-CE3 4.15Å; R374-W392 VanDerWaalsContact CZ-CZ3 3.48Å; R374-R394 PolarHBondContact O-N 2.84Å; R374-N395 WeakPolarHBondContact CB-OD1 3.5Å; R374-N395 WeakPolarHBondContact CG-OD1 3.21Å; R374-N395 PolarHBondContact N-OD1 2.99Å; R374-N395 PolarHBondContact NE-OD1 3.2Å; R374-N395 PolarHBondContact NH2-O 3.03Å; R374-N395 PolarHBondContact O-N 3.46Å; R374-N395 VanDerWaalsContact O-N 3.16Å |
| 375 | S | 92.1 | Very high | 93.2 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 177.8 | -166.1 | 69.2 | 0 | 0 | 0 | 0 | 110.6 | Y365 E368 F370 Q373 Y377 W392 | Y365-S375 PolarHBondContact OH-O 2.95Å; E368-S375 VanDerWaalsContact C-OG 3.25Å; E368-S375 CarbonylContact O-C 3.48Å; E368-S375 WeakPolarHBondContact O-CA 3.21Å; E368-S375 PolarHBondContact O-N 3.29Å; E368-S375 PolarHBondContact O-OG 3Å; F370-S375 PolarHBondContact N-OG 3.46Å; Q373-S375 PolarHBondContact O-N 3.12Å; S375-Y377 PolarHBondContact O-N 2.89Å; S375-W392 CarbonylContact C-O 3.54Å; S375-W392 VanDerWaalsContact CA-O 3.32Å; S375-W392 WeakPolarHBondContact CA-O 3.31Å |
| 376 | G | 91.9 | Very high | 93.2 | Very high | 35 Ų | 35 | 43.7 Ų | 43.7 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.4 | -127.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E368 E391 W392 | E368-G376 WeakPolarHBondContact OE2-CA 3.37Å; G376-E391 CarbonylContact O-C 3.53Å; G376-E391 VanDerWaalsContact O-CA 3.23Å; G376-E391 WeakPolarHBondContact O-CA 3.49Å; G376-W392 PolarHBondContact N-O 3.03Å; G376-W392 VanDerWaalsContact N-O 3.1Å; G376-W392 PolarHBondContact O-N 2.78Å |
| 377 | Y | 90.5 | Very high | 93.3 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 136.8 | 174.5 | -172.5 | -86.5 | 0 | 0 | 0 | 112.1 | G367 E368 S375 I389 G390 E391 Q435 L438 | G367-Y377 WeakPolarHBondContact CA-O 3.34Å; E368-Y377 PolarHBondContact N-O 3.32Å; E368-Y377 PolarHBondContact OE2-N 3.46Å; S375-Y377 PolarHBondContact O-N 2.89Å; Y377-I389 WeakPolarHBondContact OH-CG2 3.46Å; Y377-G390 WeakPolarHBondContact CD2-O 3.23Å; Y377-E391 HydrophobicContact CD2-CG 4.14Å; Y377-Q435 HydrophobicContact CE2-CG 4.29Å; Y377-Q435 VanDerWaalsContact OH-CB 3.3Å; Y377-Q435 WeakPolarHBondContact OH-CB 3.44Å; Y377-Q435 WeakPolarHBondContact OH-CG 3.44Å; Y377-L438 HydrophobicContact CD1-CB 4.04Å; Y377-L438 HydrophobicContact CG-CB 4.46Å; Y377-L438 HydrophobicContact CG-CD1 4.11Å |
| 378 | G | 91.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 165.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S366 G390 W392 | S366-G378 WeakPolarHBondContact O-CA 3.16Å; G378-G390 PolarHBondContact N-O 2.86Å; G378-G390 PolarHBondContact O-N 2.81Å; G378-G390 VanDerWaalsContact O-N 3.1Å; G378-W392 PolarHBondContact O-NE1 2.86Å |
| 379 | I | 91.3 | Very high | 93.4 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.9 | 176.2 | -55.3 | 138.1 | 0 | 0 | 0 | 107.1 | Y365 S366 I387 Y388 I389 K439 | Y365-I379 CarbonylContact C-O 3.54Å; Y365-I379 WeakPolarHBondContact CA-O 3.26Å; Y365-I379 WeakPolarHBondContact CD2-O 3.42Å; S366-I379 PolarHBondContact N-O 2.99Å; S366-I379 PolarHBondContact O-N 2.9Å; I379-I387 HydrophobicContact CG2-CG2 4.24Å; I379-Y388 CarbonylContact C-O 3.49Å; I379-Y388 VanDerWaalsContact CA-O 3.29Å; I379-Y388 WeakPolarHBondContact CA-O 3.34Å; I379-I389 HydrophobicContact CG1-CG1 4.49Å; I379-I389 HydrophobicContact CG2-CG1 4.19Å; I379-K439 HydrophobicContact CD1-CD 4.31Å; I379-K439 HydrophobicContact CD1-CG 4.07Å |
| 380 | A | 94.2 | Very high | 93.3 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | E363 I364 Y365 I387 Y388 W392 | E363-A380 HydrophobicContact CG-CB 4.29Å; I364-A380 WeakPolarHBondContact O-CA 3.44Å; Y365-A380 HydrophobicContact CD2-CB 4.26Å; A380-I387 CarbonylContact O-C 3.48Å; A380-I387 VanDerWaalsContact O-CA 3.24Å; A380-I387 WeakPolarHBondContact O-CA 3.4Å; A380-I387 WeakPolarHBondContact O-CG2 3.48Å; A380-Y388 PolarHBondContact N-O 3.08Å; A380-Y388 PolarHBondContact O-N 2.81Å; A380-W392 HydrophobicContact CB-CH2 4.24Å; A380-W392 HydrophobicContact CB-CZ2 3.81Å |
| 381 | E | 93.4 | Very high | 93.1 | Very high | 80 Ų | 80 | 39.2 Ų | 39.2 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.5 | 177.9 | 179.4 | 172.4 | 153.3 | 0 | 0 | 108.8 | E363 I364 I387 | E363-E381 CarbonylContact C-O 3.54Å; E363-E381 WeakPolarHBondContact CA-O 3.43Å; I364-E381 PolarHBondContact N-O 3.07Å; I364-E381 PolarHBondContact O-N 3.29Å; E381-I387 HydrophobicContact CB-CG2 4.26Å; E381-I387 HydrophobicContact CG-CD1 4.17Å; E381-I387 HydrophobicContact CG-CG1 4.15Å |
| 382 | R | 95 | Very high | 93 | Very high | 73 Ų | 73 | 34.9 Ų | 34.9 | 28% | 0.275 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 148.6 | -178.2 | -66.8 | 178.7 | 175.1 | -166.2 | -13.4 | 111.6 | Y152 V361 I362 E363 N384 G385 F386 | Y152-R382 VanDerWaalsContact OH-CZ 3.24Å; Y152-R382 PolarHBondContact OH-NH1 3.43Å; Y152-R382 PolarHBondContact OH-NH2 3.29Å; V361-R382 HydrophobicContact CG1-CB 3.95Å; V361-R382 HydrophobicContact CG1-CG 4.47Å; I362-R382 CarbonylContact O-C 3.59Å; I362-R382 WeakPolarHBondContact O-CA 3.42Å; E363-R382 HydrophobicContact CB-CG 4.18Å; E363-R382 HydrophobicContact CG-CG 3.98Å; E363-R382 IonicContact OE2-CZ 2.72Å; E363-R382 VanDerWaalsContact OE2-CZ 3.22Å; E363-R382 IonicContact OE2-NE 2.64Å; E363-R382 PolarHBondContact OE2-NE 2.99Å; E363-R382 IonicContact OE2-NH2 3.22Å; E363-R382 PolarHBondContact OE2-NH2 2.9Å; R382-N384 WeakPolarHBondContact CB-OD1 3.33Å; R382-N384 PolarHBondContact O-N 2.96Å; R382-G385 PolarHBondContact O-N 3.12Å; R382-F386 HydrophobicContact CB-CB 4.38Å; R382-F386 PolarHBondContact N-O 2.91Å |
| 383 | S | 93.1 | Very high | 92.9 | Very high | 81 Ų | 81 | 37.1 Ų | 37.1 | 57% | 0.566 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.2 | 177.4 | 60.5 | 0 | 0 | 0 | 0 | 114 | V361 I362 G385 | V361-S383 WeakPolarHBondContact CG1-OG 3.4Å; I362-S383 PolarHBondContact N-OG 3.31Å; I362-S383 PolarHBondContact O-N 2.9Å; S383-G385 VanDerWaalsContact C-N 3.28Å; S383-G385 PolarHBondContact O-N 3Å |
| 384 | N | 90.5 | Very high | 92.9 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 6.6 | 170.9 | 72.2 | -13.4 | 0 | 0 | 0 | 114.1 | V361 R382 P406 | V361-N384 HydrophobicContact CG1-CB 4.31Å; R382-N384 WeakPolarHBondContact CB-OD1 3.33Å; R382-N384 PolarHBondContact O-N 2.96Å; N384-P406 WeakPolarHBondContact O-CB 3.48Å; N384-P406 WeakPolarHBondContact O-CG 3.35Å |
| 385 | G | 90.1 | Very high | 92.9 | Very high | 32 Ų | 32 | 43 Ų | 43 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 93.4 | -7.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | R382 S383 | R382-G385 PolarHBondContact O-N 3.12Å; S383-G385 VanDerWaalsContact C-N 3.28Å; S383-G385 PolarHBondContact O-N 3Å |
| 386 | F | 94.5 | Very high | 93.1 | Very high | 28 Ų | 28 | 45 Ų | 45 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | trans | -70.5 | 132.3 | 173 | -79.7 | -90.1 | 0 | 0 | 0 | 111.5 | D340 R382 L403 I404 N405 P406 | D340-F386 VanDerWaalsContact OD1-CZ 3.28Å; D340-F386 WeakPolarHBondContact OD1-CZ 3.15Å; R382-F386 HydrophobicContact CB-CB 4.38Å; R382-F386 PolarHBondContact N-O 2.91Å; F386-L403 HydrophobicContact CD1-CD1 4.39Å; F386-I404 WeakPolarHBondContact CA-O 3.37Å; F386-N405 HydrophobicContact CD1-CB 4.48Å; F386-N405 HydrophobicContact CE1-CB 4.16Å; F386-N405 WeakPolarHBondContact CE1-OD1 3.12Å; F386-P406 HydrophobicContact CD2-CG 3.48Å; F386-P406 VanDerWaalsContact CD2-CG 3.48Å; F386-P406 HydrophobicContact CE2-CG 3.5Å; F386-P406 HydrophobicContact CG-CG 4.11Å; F386-P406 HydrophobicContact CZ-CG 4.14Å | ||
| 387 | I | 93.2 | Very high | 93.3 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 20% | 0.195 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 119.1 | 177.9 | -42.1 | -175.7 | 0 | 0 | 0 | 111 | I379 A380 E381 I389 L403 I404 | I379-I387 HydrophobicContact CG2-CG2 4.24Å; A380-I387 CarbonylContact O-C 3.48Å; A380-I387 VanDerWaalsContact O-CA 3.24Å; A380-I387 WeakPolarHBondContact O-CA 3.4Å; A380-I387 WeakPolarHBondContact O-CG2 3.48Å; E381-I387 HydrophobicContact CB-CG2 4.26Å; E381-I387 HydrophobicContact CG-CD1 4.17Å; E381-I387 HydrophobicContact CG-CG1 4.15Å; I387-I389 HydrophobicContact CG2-CD1 4.22Å; I387-I389 HydrophobicContact CG2-CG1 4.01Å; I387-L403 CarbonylContact O-C 3.57Å; I387-I404 HydrophobicContact CB-CB 4.24Å; I387-I404 PolarHBondContact N-O 2.81Å; I387-I404 PolarHBondContact O-N 3.08Å |
| 388 | Y | 94.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 135.9 | 168.1 | -177.8 | -97.4 | 0 | 0 | 0 | 111.4 | I379 A380 E391 W392 K397 H398 I402 L403 F415 | I379-Y388 CarbonylContact C-O 3.49Å; I379-Y388 VanDerWaalsContact CA-O 3.29Å; I379-Y388 WeakPolarHBondContact CA-O 3.34Å; A380-Y388 PolarHBondContact N-O 3.08Å; A380-Y388 PolarHBondContact O-N 2.81Å; Y388-E391 PolarHBondContact OH-O 2.94Å; Y388-W392 AromaticContact CD1-CE2 3.55Å; Y388-W392 HydrophobicContact CD1-CH2 4.41Å; Y388-W392 AromaticContact CD1-CZ2 3.45Å; Y388-W392 HydrophobicContact CD1-CZ2 3.45Å; Y388-W392 VanDerWaalsContact CD1-CZ2 3.45Å; Y388-W392 AromaticContact CD1-NE1 3.46Å; Y388-W392 HydrophobicContact CE1-CD2 4.49Å; Y388-W392 AromaticContact CE1-CE2 3.76Å; Y388-W392 HydrophobicContact CE1-CZ2 4.09Å; Y388-W392 AromaticContact CE1-NE1 3.47Å; Y388-W392 HydrophobicContact CG-CZ2 4.28Å; Y388-K397 HydrophobicContact CD1-CB 4.47Å; Y388-K397 HydrophobicContact CD1-CG 4.02Å; Y388-K397 HydrophobicContact CD2-CB 4.4Å; Y388-K397 HydrophobicContact CD2-CD 3.74Å; Y388-K397 HydrophobicContact CD2-CG 3.99Å; Y388-K397 HydrophobicContact CE1-CB 3.97Å; Y388-K397 HydrophobicContact CE1-CG 4.03Å; Y388-K397 HydrophobicContact CE2-CB 3.89Å; Y388-K397 HydrophobicContact CE2-CD 3.98Å; Y388-K397 HydrophobicContact CE2-CG 4.01Å; Y388-K397 HydrophobicContact CG-CD 4.06Å; Y388-K397 HydrophobicContact CG-CG 3.98Å; Y388-H398 PolarHBondContact OH-O 3.36Å; Y388-I402 CarbonylContact C-O 3.52Å; Y388-I402 WeakPolarHBondContact CA-O 3.3Å; Y388-I402 WeakPolarHBondContact CD2-O 3.13Å; Y388-L403 HydrophobicContact CD2-CB 4.39Å; Y388-L403 HydrophobicContact CD2-CD1 4.48Å; Y388-F415 HydrophobicContact CD2-CZ 4.46Å; Y388-F415 HydrophobicContact CE2-CD1 4.16Å; Y388-F415 AromaticContact CE2-CD2 3.83Å; Y388-F415 HydrophobicContact CE2-CD2 3.83Å; Y388-F415 HydrophobicContact CE2-CE1 4.11Å; Y388-F415 AromaticContact CE2-CE2 3.78Å; Y388-F415 HydrophobicContact CE2-CE2 3.78Å; Y388-F415 HydrophobicContact CE2-CG 4.03Å; Y388-F415 AromaticContact CE2-CZ 3.92Å; Y388-F415 HydrophobicContact CE2-CZ 3.92Å |
| 389 | I | 90.9 | Very high | 93.4 | Very high | 20 Ų | 20 | 47.6 Ų | 47.6 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 103 | 179.9 | -60.1 | 176.7 | 0 | 0 | 0 | 108.1 | Y377 I379 I387 G401 I402 I404 | Y377-I389 WeakPolarHBondContact OH-CG2 3.46Å; I379-I389 HydrophobicContact CG1-CG1 4.49Å; I379-I389 HydrophobicContact CG2-CG1 4.19Å; I387-I389 HydrophobicContact CG2-CD1 4.22Å; I387-I389 HydrophobicContact CG2-CG1 4.01Å; I389-G401 CarbonylContact O-C 3.47Å; I389-G401 VanDerWaalsContact O-CA 3.27Å; I389-G401 WeakPolarHBondContact O-CA 3.37Å; I389-I402 PolarHBondContact N-O 2.85Å; I389-I402 PolarHBondContact O-N 3.36Å; I389-I404 HydrophobicContact CD1-CD1 4.25Å |
| 390 | G | 91.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | -163.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y377 G378 Y400 | Y377-G390 WeakPolarHBondContact CD2-O 3.23Å; G378-G390 PolarHBondContact N-O 2.86Å; G378-G390 PolarHBondContact O-N 2.81Å; G378-G390 VanDerWaalsContact O-N 3.1Å; G390-Y400 WeakPolarHBondContact CA-O 3.49Å |
| 391 | E | 92.1 | Very high | 93.1 | Very high | 39 Ų | 39 | 49.9 Ų | 49.9 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 150.9 | 176.9 | -64.9 | 171.1 | 143.9 | 0 | 0 | 110.6 | G376 Y377 Y388 H398 G399 Y400 R434 | G376-E391 CarbonylContact O-C 3.53Å; G376-E391 VanDerWaalsContact O-CA 3.23Å; G376-E391 WeakPolarHBondContact O-CA 3.49Å; Y377-E391 HydrophobicContact CD2-CG 4.14Å; Y388-E391 PolarHBondContact OH-O 2.94Å; E391-H398 CarbonylContact C-O 3.53Å; E391-H398 WeakPolarHBondContact CB-O 3.46Å; E391-H398 CarbonylContact O-C 3.58Å; E391-H398 PolarHBondContact O-N 3.11Å; E391-G399 WeakPolarHBondContact OE2-CA 3.48Å; E391-Y400 PolarHBondContact N-O 3.15Å; E391-Y400 PolarHBondContact OE2-N 3.19Å; E391-R434 IonicContact OE1-CZ 2.69Å; E391-R434 IonicContact OE1-NH1 2.69Å; E391-R434 PolarHBondContact OE1-NH1 3.29Å; E391-R434 IonicContact OE2-NH1 3.14Å |
| 392 | W | 94.2 | Very high | 93 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146.3 | -176.3 | -71.5 | 81.1 | 0 | 0 | 0 | 110.5 | Y365 R374 S375 G376 G378 A380 Y388 N395 Q396 K397 | Y365-W392 HydrophobicContact CD2-CZ2 4.2Å; Y365-W392 AromaticContact CE2-CD1 3.91Å; Y365-W392 HydrophobicContact CE2-CD2 4.01Å; Y365-W392 AromaticContact CE2-CE2 3.66Å; Y365-W392 HydrophobicContact CE2-CG 4.14Å; Y365-W392 HydrophobicContact CE2-CZ2 4.11Å; Y365-W392 AromaticContact CE2-NE1 3.6Å; R374-W392 HydrophobicContact CB-CB 4.47Å; R374-W392 HydrophobicContact CB-CD2 4.37Å; R374-W392 HydrophobicContact CB-CE3 4.15Å; R374-W392 VanDerWaalsContact CZ-CZ3 3.48Å; S375-W392 CarbonylContact C-O 3.54Å; S375-W392 VanDerWaalsContact CA-O 3.32Å; S375-W392 WeakPolarHBondContact CA-O 3.31Å; G376-W392 PolarHBondContact N-O 3.03Å; G376-W392 VanDerWaalsContact N-O 3.1Å; G376-W392 PolarHBondContact O-N 2.78Å; G378-W392 PolarHBondContact O-NE1 2.86Å; A380-W392 HydrophobicContact CB-CH2 4.24Å; A380-W392 HydrophobicContact CB-CZ2 3.81Å; Y388-W392 AromaticContact CD1-CE2 3.55Å; Y388-W392 HydrophobicContact CD1-CH2 4.41Å; Y388-W392 AromaticContact CD1-CZ2 3.45Å; Y388-W392 HydrophobicContact CD1-CZ2 3.45Å; Y388-W392 VanDerWaalsContact CD1-CZ2 3.45Å; Y388-W392 AromaticContact CD1-NE1 3.46Å; Y388-W392 HydrophobicContact CE1-CD2 4.49Å; Y388-W392 AromaticContact CE1-CE2 3.76Å; Y388-W392 HydrophobicContact CE1-CZ2 4.09Å; Y388-W392 AromaticContact CE1-NE1 3.47Å; Y388-W392 HydrophobicContact CG-CZ2 4.28Å; W392-N395 WeakPolarHBondContact CZ3-O 3.49Å; W392-Q396 WeakPolarHBondContact CA-O 3.35Å; W392-K397 HydrophobicContact CH2-CG 4.04Å; W392-K397 HydrophobicContact CZ2-CG 4.39Å; W392-K397 HydrophobicContact CZ3-CG 4.18Å |
| 393 | I | 94.5 | Very high | 93 | Very high | 81 Ų | 81 | 44.7 Ų | 44.7 | 42% | 0.415 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 133 | 169.6 | -156 | 170.7 | 0 | 0 | 0 | 109.3 | N395 Q396 H398 | I393-N395 VanDerWaalsContact C-N 3.34Å; I393-N395 PolarHBondContact O-N 3.38Å; I393-Q396 PolarHBondContact N-O 2.79Å; I393-Q396 WeakPolarHBondContact O-CB 3.49Å; I393-Q396 PolarHBondContact O-N 3.29Å; I393-H398 HydrophobicContact CB-CB 4.31Å; I393-H398 HydrophobicContact CG2-CB 3.81Å; I393-H398 WeakPolarHBondContact CG2-ND1 3.45Å |
| 394 | R | 96.1 | Very high | 93 | Very high | 188 Ų | 188 | 42.4 Ų | 42.4 | 71% | 0.709 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | 51.6 | 177.8 | -55.9 | -169.3 | 174.7 | 153.1 | -2.5 | 114.1 | Q373 R374 Q396 | Q373-R394 VanDerWaalsContact OE1-CG 3.32Å; R374-R394 PolarHBondContact O-N 2.84Å; R394-Q396 PolarHBondContact O-N 3.11Å |
| 395 | N | 95.9 | Very high | 93.2 | Very high | 54 Ų | 54 | 40.3 Ų | 40.3 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 4.5 | -177.1 | -71.1 | -35.3 | 0 | 0 | 0 | 117.3 | R374 W392 I393 | R374-N395 WeakPolarHBondContact CB-OD1 3.5Å; R374-N395 WeakPolarHBondContact CG-OD1 3.21Å; R374-N395 PolarHBondContact N-OD1 2.99Å; R374-N395 PolarHBondContact NE-OD1 3.2Å; R374-N395 PolarHBondContact NH2-O 3.03Å; R374-N395 PolarHBondContact O-N 3.46Å; R374-N395 VanDerWaalsContact O-N 3.16Å; W392-N395 WeakPolarHBondContact CZ3-O 3.49Å; I393-N395 VanDerWaalsContact C-N 3.34Å; I393-N395 PolarHBondContact O-N 3.38Å |
| 396 | Q | 96.5 | Very high | 93.4 | Very high | 63 Ų | 63 | 40.9 Ų | 40.9 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 146.4 | -179.9 | -59.6 | 170 | -8.1 | 0 | 0 | 112.2 | W392 I393 R394 N418 | W392-Q396 WeakPolarHBondContact CA-O 3.35Å; I393-Q396 PolarHBondContact N-O 2.79Å; I393-Q396 WeakPolarHBondContact O-CB 3.49Å; I393-Q396 PolarHBondContact O-N 3.29Å; R394-Q396 PolarHBondContact O-N 3.11Å; Q396-N418 WeakPolarHBondContact CA-OD1 3.31Å |
| 397 | K | 95.1 | Very high | 93.3 | Very high | 42 Ų | 42 | 44 Ų | 44 | 18% | 0.183 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 135.2 | 170.3 | -49.1 | 164.5 | -174.8 | 167.9 | 0 | 109.1 | Y388 W392 F415 A417 N418 | Y388-K397 HydrophobicContact CD1-CB 4.47Å; Y388-K397 HydrophobicContact CD1-CG 4.02Å; Y388-K397 HydrophobicContact CD2-CB 4.4Å; Y388-K397 HydrophobicContact CD2-CD 3.74Å; Y388-K397 HydrophobicContact CD2-CG 3.99Å; Y388-K397 HydrophobicContact CE1-CB 3.97Å; Y388-K397 HydrophobicContact CE1-CG 4.03Å; Y388-K397 HydrophobicContact CE2-CB 3.89Å; Y388-K397 HydrophobicContact CE2-CD 3.98Å; Y388-K397 HydrophobicContact CE2-CG 4.01Å; Y388-K397 HydrophobicContact CG-CD 4.06Å; Y388-K397 HydrophobicContact CG-CG 3.98Å; W392-K397 HydrophobicContact CH2-CG 4.04Å; W392-K397 HydrophobicContact CZ2-CG 4.39Å; W392-K397 HydrophobicContact CZ3-CG 4.18Å; K397-F415 HydrophobicContact CB-CB 4.29Å; K397-F415 HydrophobicContact CB-CD1 4.29Å; K397-F415 HydrophobicContact CB-CG 4.45Å; K397-F415 HydrophobicContact CD-CD1 4.36Å; K397-A417 PolarHBondContact O-N 2.88Å; K397-N418 PolarHBondContact N-OD1 3.42Å; K397-N418 PolarHBondContact O-N 3.42Å; K397-N418 VanDerWaalsContact O-N 3.17Å |
| 398 | H | 92.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 44.3 Ų | 44.3 | 25% | 0.25 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 171.5 | -172.9 | -158.5 | 86.8 | 0 | 0 | 0 | 111.6 | Y388 E391 I393 F415 H416 | Y388-H398 PolarHBondContact OH-O 3.36Å; E391-H398 CarbonylContact C-O 3.53Å; E391-H398 WeakPolarHBondContact CB-O 3.46Å; E391-H398 CarbonylContact O-C 3.58Å; E391-H398 PolarHBondContact O-N 3.11Å; I393-H398 HydrophobicContact CB-CB 4.31Å; I393-H398 HydrophobicContact CG2-CB 3.81Å; I393-H398 WeakPolarHBondContact CG2-ND1 3.45Å; H398-F415 CarbonylContact C-O 3.53Å; H398-F415 WeakPolarHBondContact CA-O 3.32Å; H398-H416 AromaticContact CE1-CE1 3.94Å; H398-H416 AromaticContact CE1-ND1 3.45Å; H398-H416 PolarHBondContact CE1-ND1 2.94Å |
| 399 | G | 91.7 | Very high | 93 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.2 | -146.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E391 Q414 F415 | E391-G399 WeakPolarHBondContact OE2-CA 3.48Å; G399-Q414 CarbonylContact O-C 3.45Å; G399-Q414 VanDerWaalsContact O-CA 3.28Å; G399-Q414 WeakPolarHBondContact O-CA 3.44Å; G399-F415 PolarHBondContact N-O 3.38Å; G399-F415 PolarHBondContact O-N 3.24Å |
| 400 | Y | 90.8 | Very high | 93.1 | Very high | 76 Ų | 76 | 52.1 Ų | 52.1 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.9 | 177.2 | -69.3 | -69.7 | 0 | 0 | 0 | 112 | G390 E391 Q414 I424 H431 | G390-Y400 WeakPolarHBondContact CA-O 3.49Å; E391-Y400 PolarHBondContact N-O 3.15Å; E391-Y400 PolarHBondContact OE2-N 3.19Å; Y400-Q414 HydrophobicContact CD1-CB 4.14Å; Y400-Q414 HydrophobicContact CE1-CB 3.93Å; Y400-Q414 HydrophobicContact CE1-CG 4.4Å; Y400-I424 HydrophobicContact CD1-CD1 4.19Å; Y400-I424 HydrophobicContact CE1-CD1 4.49Å; Y400-H431 AromaticContact CD2-CD2 3.61Å; Y400-H431 AromaticContact CD2-NE2 3.88Å; Y400-H431 AromaticContact CE2-CD2 3.54Å; Y400-H431 AromaticContact CE2-NE2 3.48Å; Y400-H431 WeakPolarHBondContact CE2-NE2 3.35Å |
| 401 | G | 90.4 | Very high | 93 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 179.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I389 G413 | I389-G401 CarbonylContact O-C 3.47Å; I389-G401 VanDerWaalsContact O-CA 3.27Å; I389-G401 WeakPolarHBondContact O-CA 3.37Å; G401-G413 PolarHBondContact N-O 2.96Å; G401-G413 PolarHBondContact O-N 3.33Å |
| 402 | I | 90.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.8 | 173.2 | -61 | -175.3 | 0 | 0 | 0 | 107.6 | Y388 I389 I404 K410 D411 E412 L432 | Y388-I402 CarbonylContact C-O 3.52Å; Y388-I402 WeakPolarHBondContact CA-O 3.3Å; Y388-I402 WeakPolarHBondContact CD2-O 3.13Å; I389-I402 PolarHBondContact N-O 2.85Å; I389-I402 PolarHBondContact O-N 3.36Å; I402-I404 HydrophobicContact CG2-CG1 3.82Å; I402-K410 HydrophobicContact CG2-CB 4.38Å; I402-D411 WeakPolarHBondContact CA-O 3.36Å; I402-E412 HydrophobicContact CB-CG 4.45Å; I402-E412 HydrophobicContact CD1-CB 4.33Å; I402-E412 HydrophobicContact CD1-CG 3.72Å; I402-E412 HydrophobicContact CG1-CB 3.95Å; I402-E412 HydrophobicContact CG1-CG 3.74Å; I402-E412 HydrophobicContact CG2-CG 4.08Å; I402-L432 HydrophobicContact CD1-CD1 4.17Å; I402-L432 HydrophobicContact CD1-CD2 3.61Å; I402-L432 HydrophobicContact CG1-CD1 4.2Å |
| 403 | L | 94 | Very high | 92.6 | Very high | 29 Ų | 29 | 53.1 Ų | 53.1 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 135.2 | 157 | -174.2 | 65.3 | 0 | 0 | 0 | 108.6 | F386 I387 Y388 K410 D411 F415 | F386-L403 HydrophobicContact CD1-CD1 4.39Å; I387-L403 CarbonylContact O-C 3.57Å; Y388-L403 HydrophobicContact CD2-CB 4.39Å; Y388-L403 HydrophobicContact CD2-CD1 4.48Å; L403-K410 WeakPolarHBondContact O-CA 3.43Å; L403-D411 HydrophobicContact CB-CB 4.27Å; L403-D411 PolarHBondContact N-O 3.4Å; L403-D411 PolarHBondContact O-N 2.8Å; L403-F415 HydrophobicContact CB-CZ 4.15Å |
| 404 | I | 93.9 | Very high | 92.5 | Very high | 33 Ų | 33 | 52.9 Ų | 52.9 | 17% | 0.169 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.1 | 171.3 | -47.6 | 179.7 | 0 | 0 | 0 | 106.2 | F386 I387 I389 I402 T409 K410 | F386-I404 WeakPolarHBondContact CA-O 3.37Å; I387-I404 HydrophobicContact CB-CB 4.24Å; I387-I404 PolarHBondContact N-O 2.81Å; I387-I404 PolarHBondContact O-N 3.08Å; I389-I404 HydrophobicContact CD1-CD1 4.25Å; I402-I404 HydrophobicContact CG2-CG1 3.82Å; I404-T409 WeakPolarHBondContact CA-O 3.36Å; I404-K410 HydrophobicContact CG1-CD 4.46Å; I404-K410 HydrophobicContact CG1-CG 4.21Å; I404-K410 HydrophobicContact CG2-CG 4.22Å |
| 405 | N | 93.7 | Very high | 92.3 | Very high | 25 Ų | 25 | 44.1 Ų | 44.1 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | trans | -91.1 | 164.1 | -179.3 | -53.7 | -34.8 | 0 | 0 | 0 | 109.8 | F386 N407 G408 T409 D411 | F386-N405 HydrophobicContact CD1-CB 4.48Å; F386-N405 HydrophobicContact CE1-CB 4.16Å; F386-N405 WeakPolarHBondContact CE1-OD1 3.12Å; N405-N407 VanDerWaalsContact C-N 3.25Å; N405-N407 PolarHBondContact O-N 3.04Å; N405-G408 WeakPolarHBondContact O-CA 3.33Å; N405-G408 PolarHBondContact O-N 2.99Å; N405-T409 WeakPolarHBondContact CB-OG1 3.43Å; N405-T409 PolarHBondContact N-O 2.72Å; N405-T409 PolarHBondContact ND2-OG1 3.26Å; N405-D411 PolarHBondContact ND2-OD2 3.17Å | ||
| 406 | P | 94.3 | Very high | 92.2 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 28% | 0.279 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -34.1 | -173.7 | -25.4 | 35.9 | 0 | 0 | 0 | 113.6 | I343 N384 F386 G408 | I343-P406 HydrophobicContact CD1-CB 4.25Å; N384-P406 WeakPolarHBondContact O-CB 3.48Å; N384-P406 WeakPolarHBondContact O-CG 3.35Å; F386-P406 HydrophobicContact CD2-CG 3.48Å; F386-P406 VanDerWaalsContact CD2-CG 3.48Å; F386-P406 HydrophobicContact CE2-CG 3.5Å; F386-P406 HydrophobicContact CG-CG 4.11Å; F386-P406 HydrophobicContact CZ-CG 4.14Å; P406-G408 PolarHBondContact O-N 3.03Å; P406-G408 VanDerWaalsContact O-N 3.16Å |
| 407 | N | 93 | Very high | 92.1 | Very high | 94 Ų | 94 | 45.1 Ų | 45.1 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 5.4 | 173.2 | 65.7 | 10.7 | 0 | 0 | 0 | 114.5 | N405 T409 | N405-N407 VanDerWaalsContact C-N 3.25Å; N405-N407 PolarHBondContact O-N 3.04Å; N407-T409 VanDerWaalsContact C-N 3.28Å; N407-T409 PolarHBondContact O-N 2.87Å; N407-T409 WeakPolarHBondContact OD1-CB 3.35Å; N407-T409 WeakPolarHBondContact OD1-CG2 3.36Å; N407-T409 PolarHBondContact OD1-N 3.29Å; N407-T409 PolarHBondContact OD1-OG1 3.3Å |
| 408 | G | 89 | Confident | 92.1 | Very high | 44 Ų | 44 | 45.8 Ų | 45.8 | 45% | 0.454 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 78.9 | -2.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | N405 P406 | N405-G408 WeakPolarHBondContact O-CA 3.33Å; N405-G408 PolarHBondContact O-N 2.99Å; P406-G408 PolarHBondContact O-N 3.03Å; P406-G408 VanDerWaalsContact O-N 3.16Å |
| 409 | T | 93.4 | Very high | 92.2 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 42% | 0.423 | 27% | 0.265 | S | S | . | . | trans | -64.3 | 156.7 | 171.8 | 62.2 | 0 | 0 | 0 | 0 | 111.1 | I404 N405 N407 | I404-T409 WeakPolarHBondContact CA-O 3.36Å; N405-T409 WeakPolarHBondContact CB-OG1 3.43Å; N405-T409 PolarHBondContact N-O 2.72Å; N405-T409 PolarHBondContact ND2-OG1 3.26Å; N407-T409 VanDerWaalsContact C-N 3.28Å; N407-T409 PolarHBondContact O-N 2.87Å; N407-T409 WeakPolarHBondContact OD1-CB 3.35Å; N407-T409 WeakPolarHBondContact OD1-CG2 3.36Å; N407-T409 PolarHBondContact OD1-N 3.29Å; N407-T409 PolarHBondContact OD1-OG1 3.3Å | ||
| 410 | K | 91.6 | Very high | 92.2 | Very high | 120 Ų | 120 | 50.8 Ų | 50.8 | 52% | 0.522 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 127.1 | -170.3 | -63 | -176.2 | -175.7 | 169.7 | 0 | 113 | I402 L403 I404 E412 | I402-K410 HydrophobicContact CG2-CB 4.38Å; L403-K410 WeakPolarHBondContact O-CA 3.43Å; I404-K410 HydrophobicContact CG1-CD 4.46Å; I404-K410 HydrophobicContact CG1-CG 4.21Å; I404-K410 HydrophobicContact CG2-CG 4.22Å; K410-E412 HydrophobicContact CB-CG 4.27Å |
| 411 | D | 90.4 | Very high | 92.2 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 19% | 0.187 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 86.9 | 173.2 | -79.1 | -65.5 | 0 | 0 | 0 | 109 | I402 L403 N405 L420 K423 | I402-D411 WeakPolarHBondContact CA-O 3.36Å; L403-D411 HydrophobicContact CB-CB 4.27Å; L403-D411 PolarHBondContact N-O 3.4Å; L403-D411 PolarHBondContact O-N 2.8Å; N405-D411 PolarHBondContact ND2-OD2 3.17Å; D411-L420 HydrophobicContact CB-CD2 3.65Å; D411-K423 VanDerWaalsContact OD1-CE 3.24Å; D411-K423 WeakPolarHBondContact OD1-CE 3.46Å; D411-K423 IonicContact OD1-NZ 3.8Å; D411-K423 PolarHBondContact OD1-NZ 3.38Å |
| 412 | E | 88.6 | Confident | 91.9 | Very high | 39 Ų | 39 | 57.8 Ų | 57.8 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 124.6 | 177 | -46 | -166.8 | 171.3 | 0 | 0 | 109.6 | I402 K410 I424 | I402-E412 HydrophobicContact CB-CG 4.45Å; I402-E412 HydrophobicContact CD1-CB 4.33Å; I402-E412 HydrophobicContact CD1-CG 3.72Å; I402-E412 HydrophobicContact CG1-CB 3.95Å; I402-E412 HydrophobicContact CG1-CG 3.74Å; I402-E412 HydrophobicContact CG2-CG 4.08Å; K410-E412 HydrophobicContact CB-CG 4.27Å; E412-I424 PolarHBondContact O-N 3.01Å |
| 413 | G | 89.4 | Confident | 91.7 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.9 | -169.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | G401 H422 | G401-G413 PolarHBondContact N-O 2.96Å; G401-G413 PolarHBondContact O-N 3.33Å; G413-H422 CarbonylContact C-O 3.55Å; G413-H422 WeakPolarHBondContact CA-O 3.16Å |
| 414 | Q | 90.8 | Very high | 90.9 | Very high | 76 Ų | 76 | 63.8 Ų | 63.8 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.1 | 172.2 | -173.2 | 174.2 | -17.8 | 0 | 0 | 110.8 | G399 Y400 I421 H422 | G399-Q414 CarbonylContact O-C 3.45Å; G399-Q414 VanDerWaalsContact O-CA 3.28Å; G399-Q414 WeakPolarHBondContact O-CA 3.44Å; Y400-Q414 HydrophobicContact CD1-CB 4.14Å; Y400-Q414 HydrophobicContact CE1-CB 3.93Å; Y400-Q414 HydrophobicContact CE1-CG 4.4Å; Q414-I421 PolarHBondContact O-N 3.2Å; Q414-H422 HydrophobicContact CB-CB 4.28Å; Q414-H422 PolarHBondContact N-O 2.95Å; Q414-H422 PolarHBondContact O-N 3.47Å |
| 415 | F | 92.7 | Very high | 89.6 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 152.4 | -179.3 | -69.6 | -99.1 | 0 | 0 | 0 | 111.9 | Y388 K397 H398 G399 L403 N419 L420 | Y388-F415 HydrophobicContact CD2-CZ 4.46Å; Y388-F415 HydrophobicContact CE2-CD1 4.16Å; Y388-F415 AromaticContact CE2-CD2 3.83Å; Y388-F415 HydrophobicContact CE2-CD2 3.83Å; Y388-F415 HydrophobicContact CE2-CE1 4.11Å; Y388-F415 AromaticContact CE2-CE2 3.78Å; Y388-F415 HydrophobicContact CE2-CE2 3.78Å; Y388-F415 HydrophobicContact CE2-CG 4.03Å; Y388-F415 AromaticContact CE2-CZ 3.92Å; Y388-F415 HydrophobicContact CE2-CZ 3.92Å; K397-F415 HydrophobicContact CB-CB 4.29Å; K397-F415 HydrophobicContact CB-CD1 4.29Å; K397-F415 HydrophobicContact CB-CG 4.45Å; K397-F415 HydrophobicContact CD-CD1 4.36Å; H398-F415 CarbonylContact C-O 3.53Å; H398-F415 WeakPolarHBondContact CA-O 3.32Å; G399-F415 PolarHBondContact N-O 3.38Å; G399-F415 PolarHBondContact O-N 3.24Å; L403-F415 HydrophobicContact CB-CZ 4.15Å; F415-N419 CarbonylContact C-O 3.54Å; F415-N419 WeakPolarHBondContact CA-O 3.42Å; F415-L420 HydrophobicContact CD1-CB 4.11Å; F415-L420 HydrophobicContact CD2-CD1 4.26Å; F415-L420 HydrophobicContact CE1-CB 3.83Å; F415-L420 HydrophobicContact CE1-CD1 4.27Å; F415-L420 HydrophobicContact CE1-CD2 4.4Å; F415-L420 HydrophobicContact CE1-CG 4.4Å; F415-L420 HydrophobicContact CE2-CD1 3.94Å; F415-L420 HydrophobicContact CZ-CB 4.29Å; F415-L420 HydrophobicContact CZ-CD1 3.95Å; F415-L420 HydrophobicContact CZ-CD2 4.14Å; F415-L420 HydrophobicContact CZ-CG 4.37Å |
| 416 | H | 94.3 | Very high | 87.9 | Confident | 103 Ų | 103 | 77.3 Ų | 77.3 | 48% | 0.477 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 130.2 | 171.5 | -173.8 | 104.7 | 0 | 0 | 0 | 108.9 | H398 N418 N419 I421 | H398-H416 AromaticContact CE1-CE1 3.94Å; H398-H416 AromaticContact CE1-ND1 3.45Å; H398-H416 PolarHBondContact CE1-ND1 2.94Å; H416-N418 VanDerWaalsContact C-N 3.31Å; H416-N418 PolarHBondContact O-N 2.91Å; H416-N419 PolarHBondContact N-O 3.34Å; H416-N419 WeakPolarHBondContact O-CB 3.45Å; H416-N419 PolarHBondContact O-N 3.11Å; H416-I421 HydrophobicContact CB-CD1 3.48Å; H416-I421 VanDerWaalsContact CB-CD1 3.48Å; H416-I421 HydrophobicContact CB-CG1 4.12Å |
| 417 | A | 94.1 | Very high | 86.1 | Confident | 35 Ų | 35 | 84.5 Ų | 84.5 | 29% | 0.289 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 50.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K397 N419 | K397-A417 PolarHBondContact O-N 2.88Å; A417-N419 PolarHBondContact O-N 3.44Å |
| 418 | N | 93.9 | Very high | 84.2 | Confident | 57 Ų | 57 | 85.6 Ų | 85.6 | 31% | 0.305 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | -24.3 | -172.6 | -58.4 | -45 | 0 | 0 | 0 | 116.7 | Q396 K397 H416 | Q396-N418 WeakPolarHBondContact CA-OD1 3.31Å; K397-N418 PolarHBondContact N-OD1 3.42Å; K397-N418 PolarHBondContact O-N 3.42Å; K397-N418 VanDerWaalsContact O-N 3.17Å; H416-N418 VanDerWaalsContact C-N 3.31Å; H416-N418 PolarHBondContact O-N 2.91Å |
| 419 | N | 94.6 | Very high | 82.5 | Confident | 117 Ų | 117 | 89.6 Ų | 89.6 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 151.2 | -177.1 | -63.3 | -18.1 | 0 | 0 | 0 | 112.4 | F415 H416 A417 | F415-N419 CarbonylContact C-O 3.54Å; F415-N419 WeakPolarHBondContact CA-O 3.42Å; H416-N419 PolarHBondContact N-O 3.34Å; H416-N419 WeakPolarHBondContact O-CB 3.45Å; H416-N419 PolarHBondContact O-N 3.11Å; A417-N419 PolarHBondContact O-N 3.44Å |
| 420 | L | 91.9 | Very high | 80.5 | Confident | 53 Ų | 53 | 93.3 Ų | 93.3 | 28% | 0.277 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 102.1 | -178.1 | 173.5 | 50.6 | 0 | 0 | 0 | 110.4 | D411 F415 K423 | D411-L420 HydrophobicContact CB-CD2 3.65Å; F415-L420 HydrophobicContact CD1-CB 4.11Å; F415-L420 HydrophobicContact CD2-CD1 4.26Å; F415-L420 HydrophobicContact CE1-CB 3.83Å; F415-L420 HydrophobicContact CE1-CD1 4.27Å; F415-L420 HydrophobicContact CE1-CD2 4.4Å; F415-L420 HydrophobicContact CE1-CG 4.4Å; F415-L420 HydrophobicContact CE2-CD1 3.94Å; F415-L420 HydrophobicContact CZ-CB 4.29Å; F415-L420 HydrophobicContact CZ-CD1 3.95Å; F415-L420 HydrophobicContact CZ-CD2 4.14Å; F415-L420 HydrophobicContact CZ-CG 4.37Å; L420-K423 HydrophobicContact CD1-CG 4.46Å; L420-K423 HydrophobicContact CD2-CD 4.26Å; L420-K423 HydrophobicContact CD2-CG 3.92Å; L420-K423 HydrophobicContact CG-CG 4.11Å |
| 421 | I | 91.6 | Very high | 78.6 | Confident | 116 Ų | 116 | 92.5 Ų | 92.5 | 60% | 0.595 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -44 | -177 | -64.1 | -176.2 | 0 | 0 | 0 | 111.6 | Q414 H416 | Q414-I421 PolarHBondContact O-N 3.2Å; H416-I421 HydrophobicContact CB-CD1 3.48Å; H416-I421 VanDerWaalsContact CB-CD1 3.48Å; H416-I421 HydrophobicContact CB-CG1 4.12Å |
| 422 | H | 84.8 | Confident | 76.8 | Confident | 107 Ų | 107 | 93 Ų | 93 | 50% | 0.495 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 107.6 | -170.6 | -174.1 | 79.1 | 0 | 0 | 0 | 111.9 | G413 Q414 | G413-H422 CarbonylContact C-O 3.55Å; G413-H422 WeakPolarHBondContact CA-O 3.16Å; Q414-H422 HydrophobicContact CB-CB 4.28Å; Q414-H422 PolarHBondContact N-O 2.95Å; Q414-H422 PolarHBondContact O-N 3.47Å |
| 423 | K | 85 | Confident | 75 | Confident | 133 Ų | 133 | 97.1 Ų | 97.1 | 58% | 0.578 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128 | 173.4 | -57.5 | -159.1 | -177 | -165.2 | 0 | 110.3 | D411 L420 N425 | D411-K423 VanDerWaalsContact OD1-CE 3.24Å; D411-K423 WeakPolarHBondContact OD1-CE 3.46Å; D411-K423 IonicContact OD1-NZ 3.8Å; D411-K423 PolarHBondContact OD1-NZ 3.38Å; L420-K423 HydrophobicContact CD1-CG 4.46Å; L420-K423 HydrophobicContact CD2-CD 4.26Å; L420-K423 HydrophobicContact CD2-CG 3.92Å; L420-K423 HydrophobicContact CG-CG 4.11Å; K423-N425 PolarHBondContact O-N 3.43Å |
| 424 | I | 77.7 | Confident | 73.2 | Confident | 37 Ų | 37 | 104 Ų | 104 | 19% | 0.19 | 49% | 0.494 | C | S | . | . | trans | -77.4 | 106.3 | 177.7 | -69.2 | 161.1 | 0 | 0 | 0 | 109 | Y400 E412 N428 | Y400-I424 HydrophobicContact CD1-CD1 4.19Å; Y400-I424 HydrophobicContact CE1-CD1 4.49Å; E412-I424 PolarHBondContact O-N 3.01Å; I424-N428 HydrophobicContact CG2-CB 4.4Å | ||
| 425 | N | 65.8 | Low | 71.4 | Confident | 117 Ų | 117 | 102.4 Ų | 102.4 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | trans | -64.8 | 144.6 | 171.5 | -164.2 | -28 | 0 | 0 | 0 | 110.2 | K423 K427 N428 | K423-N425 PolarHBondContact O-N 3.43Å; N425-K427 PolarHBondContact O-N 3.23Å; N425-N428 PolarHBondContact O-N 3.39Å | ||
| 426 | R | 59 | Low | 69.3 | Low | 225 Ų | 225 | 106 Ų | 106 | 85% | 0.849 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -51 | -27.3 | -169.3 | -66.5 | -176.8 | 179 | -177.6 | 1.6 | 114.4 | N428 | R426-N428 VanDerWaalsContact C-N 3.29Å; R426-N428 PolarHBondContact O-N 3.35Å |
| 427 | K | 56.6 | Low | 67.1 | Low | 193 Ų | 193 | 109.2 Ų | 109.2 | 84% | 0.839 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -62.9 | -27.5 | 177.8 | -62.9 | -176.1 | 179.1 | -179.4 | 0 | 113.6 | N425 | N425-K427 PolarHBondContact O-N 3.23Š|
| 428 | N | 52.9 | Low | 65.1 | Low | 117 Ų | 117 | 110 Ų | 110 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -105 | 27.7 | -170.9 | -70.8 | -2.7 | 0 | 0 | 0 | 114.4 | I424 N425 R426 L430 | I424-N428 HydrophobicContact CG2-CB 4.4Å; N425-N428 PolarHBondContact O-N 3.39Å; R426-N428 VanDerWaalsContact C-N 3.29Å; R426-N428 PolarHBondContact O-N 3.35Å; N428-L430 PolarHBondContact O-N 3.26Å |
| 429 | K | 54.3 | Low | 63.1 | Low | 128 Ų | 128 | 111.4 Ų | 111.4 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -67.7 | 6.3 | -165.8 | -144.9 | 171.5 | -173.1 | 173.4 | 0 | 117.2 | ||
| 430 | L | 49.9 | Very low | 61 | Low | 147 Ų | 147 | 110.9 Ų | 110.9 | 77% | 0.77 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -76.9 | -18.6 | -175.1 | -112.4 | 77.4 | 0 | 0 | 0 | 115.5 | N428 L432 I433 | N428-L430 PolarHBondContact O-N 3.26Å; L430-L432 VanDerWaalsContact C-N 3.32Å; L430-L432 PolarHBondContact O-N 3.22Å; L430-I433 VanDerWaalsContact O-CD1 3.32Å; L430-I433 WeakPolarHBondContact O-CD1 3.34Å; L430-I433 WeakPolarHBondContact O-CG1 3.19Å |
| 431 | H | 52.5 | Low | 59.1 | Low | 103 Ų | 103 | 113.1 Ų | 113.1 | 48% | 0.477 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -75.9 | -16.1 | -168.1 | -142.6 | 96.1 | 0 | 0 | 0 | 114.7 | Y400 I433 | Y400-H431 AromaticContact CD2-CD2 3.61Å; Y400-H431 AromaticContact CD2-NE2 3.88Å; Y400-H431 AromaticContact CE2-CD2 3.54Å; Y400-H431 AromaticContact CE2-NE2 3.48Å; Y400-H431 WeakPolarHBondContact CE2-NE2 3.35Å; H431-I433 PolarHBondContact O-N 3.45Å |
| 432 | L | 53.5 | Low | 57.4 | Low | 47 Ų | 47 | 109.6 Ų | 109.6 | 25% | 0.246 | 52% | 0.518 | C | S | . | . | G | 310 helix | trans | -78.5 | 14.8 | -168.3 | -151.9 | 75.8 | 0 | 0 | 0 | 115.2 | I402 L430 R434 Q435 | I402-L432 HydrophobicContact CD1-CD1 4.17Å; I402-L432 HydrophobicContact CD1-CD2 3.61Å; I402-L432 HydrophobicContact CG1-CD1 4.2Å; L430-L432 VanDerWaalsContact C-N 3.32Å; L430-L432 PolarHBondContact O-N 3.22Å; L432-R434 VanDerWaalsContact C-N 3.25Å; L432-R434 PolarHBondContact O-N 3.33Å; L432-R434 VanDerWaalsContact O-N 3.17Å; L432-Q435 HydrophobicContact CD1-CG 4.45Å; L432-Q435 HydrophobicContact CG-CG 3.96Å |
| 433 | I | 50.4 | Low | 56.4 | Low | 124 Ų | 124 | 108.4 Ų | 108.4 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -74.4 | -7.5 | -167.7 | -67.7 | 171.9 | 0 | 0 | 0 | 113.8 | L430 H431 | L430-I433 VanDerWaalsContact O-CD1 3.32Å; L430-I433 WeakPolarHBondContact O-CD1 3.34Å; L430-I433 WeakPolarHBondContact O-CG1 3.19Å; H431-I433 PolarHBondContact O-N 3.45Å |
| 434 | R | 51.6 | Low | 55.2 | Low | 146 Ų | 146 | 110.3 Ų | 110.3 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -71.5 | -28.8 | 176.9 | -68.4 | -174.4 | -175.7 | 165.2 | 7.5 | 114.1 | E391 L432 T436 K437 | E391-R434 IonicContact OE1-CZ 2.69Å; E391-R434 IonicContact OE1-NH1 2.69Å; E391-R434 PolarHBondContact OE1-NH1 3.29Å; E391-R434 IonicContact OE2-NH1 3.14Å; L432-R434 VanDerWaalsContact C-N 3.25Å; L432-R434 PolarHBondContact O-N 3.33Å; L432-R434 VanDerWaalsContact O-N 3.17Å; R434-T436 PolarHBondContact O-N 3.31Å; R434-K437 PolarHBondContact O-N 3.12Å |
| 435 | Q | 53 | Low | 54.7 | Low | 42 Ų | 42 | 115 Ų | 115 | 20% | 0.196 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -61.1 | -35.1 | -163.6 | -58.3 | -162.4 | -29.5 | 0 | 0 | 115.3 | Y377 L432 | Y377-Q435 HydrophobicContact CE2-CG 4.29Å; Y377-Q435 VanDerWaalsContact OH-CB 3.3Å; Y377-Q435 WeakPolarHBondContact OH-CB 3.44Å; Y377-Q435 WeakPolarHBondContact OH-CG 3.44Å; L432-Q435 HydrophobicContact CD1-CG 4.45Å; L432-Q435 HydrophobicContact CG-CG 3.96Å |
| 436 | T | 47.8 | Very low | 55.2 | Low | 79 Ų | 79 | 110 Ų | 110 | 49% | 0.485 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76 | -38.5 | -172.2 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | R434 L438 | R434-T436 PolarHBondContact O-N 3.31Å; T436-L438 PolarHBondContact O-N 3.18Å |
| 437 | K | 47.2 | Very low | 56.3 | Low | 170 Ų | 170 | 105.3 Ų | 105.3 | 74% | 0.739 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -77.4 | -18.9 | -171.1 | -68.6 | -176.3 | 177.4 | 176.8 | 0 | 114.3 | R434 | R434-K437 PolarHBondContact O-N 3.12Å |
| 438 | L | 52.1 | Low | 57.7 | Low | 51 Ų | 51 | 98.6 Ų | 98.6 | 27% | 0.267 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -90.7 | -37.4 | 174.1 | -88 | 147.1 | 0 | 0 | 0 | 112.5 | Y377 T436 E440 | Y377-L438 HydrophobicContact CD1-CB 4.04Å; Y377-L438 HydrophobicContact CG-CB 4.46Å; Y377-L438 HydrophobicContact CG-CD1 4.11Å; T436-L438 PolarHBondContact O-N 3.18Å; L438-E440 PolarHBondContact O-N 3.34Å |
| 439 | K | 51.9 | Low | 59.6 | Low | 87 Ų | 87 | 95 Ų | 95 | 38% | 0.378 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 179.2 | -98.3 | -174.7 | 169.4 | -178.4 | 0 | 113.4 | I379 | I379-K439 HydrophobicContact CD1-CD 4.31Å; I379-K439 HydrophobicContact CD1-CG 4.07Å |
| 440 | E | 52.2 | Low | 61.4 | Low | 107 Ų | 107 | 89.6 Ų | 89.6 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -90.3 | -47.8 | -164.2 | -70.5 | 166.9 | -164.3 | 0 | 0 | 114.2 | K242 L438 | K242-E440 WeakPolarHBondContact CE-OE1 3.38Å; K242-E440 IonicContact NZ-OE1 2.66Å; K242-E440 PolarHBondContact NZ-OE1 3.29Å; L438-E440 PolarHBondContact O-N 3.34Å |
| 441 | C | 50.4 | Low | 63.3 | Low | 99 Ų | 99 | 85.3 Ų | 85.3 | 67% | 0.669 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -77.9 | -30.4 | -174.7 | -66.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 442 | H | 57.3 | Low | 65.3 | Low | 42 Ų | 42 | 85.5 Ų | 85.5 | 19% | 0.194 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -82.8 | -38.2 | -176.7 | -90 | -170.3 | 0 | 0 | 0 | 112.7 | L143 E368 Y444 Y445 C446 | L143-H442 HydrophobicContact CD1-CB 3.55Å; L143-H442 HydrophobicContact CD2-CB 3.83Å; L143-H442 HydrophobicContact CG-CB 4.34Å; E368-H442 IonicContact OE1-CE1 2.69Å; E368-H442 IonicContact OE1-ND1 2.63Å; H442-Y444 PolarHBondContact O-N 3.47Å; H442-Y445 PolarHBondContact O-N 2.94Å; H442-C446 PolarHBondContact O-N 3.39Å |
| 443 | H | 63 | Low | 67.4 | Low | 83 Ų | 83 | 83.6 Ų | 83.6 | 38% | 0.384 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 178.8 | -106.5 | 85.9 | 0 | 0 | 0 | 112.8 | Y445 C446 F447 | H443-Y445 PolarHBondContact O-N 3.22Å; H443-C446 PolarHBondContact O-N 2.75Å; H443-F447 WeakPolarHBondContact O-CB 3.41Å; H443-F447 PolarHBondContact O-N 2.93Å |
| 444 | Y | 60.5 | Low | 69.5 | Low | 172 Ų | 172 | 77.9 Ų | 77.9 | 68% | 0.675 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.3 | -40 | -176.6 | -176.3 | -99.2 | 0 | 0 | 0 | 112.8 | H442 T448 | H442-Y444 PolarHBondContact O-N 3.47Å; Y444-T448 HydrophobicContact CD1-CG2 4.32Å; Y444-T448 HydrophobicContact CD2-CG2 4.41Å; Y444-T448 HydrophobicContact CE1-CG2 3.84Å; Y444-T448 HydrophobicContact CE2-CG2 3.93Å; Y444-T448 WeakPolarHBondContact O-CB 3.39Å; Y444-T448 WeakPolarHBondContact O-CG2 3.42Å; Y444-T448 PolarHBondContact O-N 3.05Å; Y444-T448 PolarHBondContact O-OG1 3.32Å |
| 445 | Y | 65.7 | Low | 71.6 | Confident | 137 Ų | 137 | 75.7 Ų | 75.7 | 54% | 0.537 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 174.9 | -177.4 | -102.6 | 0 | 0 | 0 | 111.5 | F120 H442 H443 T448 N449 | F120-Y445 HydrophobicContact CZ-CE1 4.13Å; H442-Y445 PolarHBondContact O-N 2.94Å; H443-Y445 PolarHBondContact O-N 3.22Å; Y445-T448 PolarHBondContact O-OG1 3.08Å; Y445-N449 WeakPolarHBondContact CD2-ND2 3.48Å; Y445-N449 WeakPolarHBondContact CE2-ND2 3.49Å; Y445-N449 VanDerWaalsContact CZ-ND2 3.33Å; Y445-N449 PolarHBondContact O-N 3.45Å; Y445-N449 PolarHBondContact O-ND2 2.99Å |
| 446 | C | 76.9 | Confident | 73.8 | Confident | 10 Ų | 10 | 77.4 Ų | 77.4 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.3 | -51.9 | 174.5 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | L143 H442 H443 T448 L450 | L143-C446 HydrophobicContact CB-CB 3.95Å; L143-C446 HydrophobicContact CD1-CB 4.41Å; L143-C446 PolarHBondContact O-SG 3.33Å; L143-C446 VanDerWaalsContact O-SG 3.35Å; H442-C446 PolarHBondContact O-N 3.39Å; H443-C446 PolarHBondContact O-N 2.75Å; C446-T448 PolarHBondContact O-N 3.46Å; C446-L450 WeakPolarHBondContact O-CB 3.38Å; C446-L450 PolarHBondContact O-N 3.46Å |
| 447 | F | 82.5 | Confident | 76.2 | Confident | 128 Ų | 128 | 73.6 Ų | 73.6 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | -176.3 | -171.4 | -95.7 | 0 | 0 | 0 | 113 | H443 L450 C451 | H443-F447 WeakPolarHBondContact O-CB 3.41Å; H443-F447 PolarHBondContact O-N 2.93Å; F447-L450 PolarHBondContact O-N 3.03Å; F447-C451 WeakPolarHBondContact O-CB 3.34Å; F447-C451 PolarHBondContact O-N 3.33Å; F447-C451 PolarHBondContact O-SG 3.03Å |
| 448 | T | 86.7 | Confident | 78.6 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | -179.3 | 44.5 | 0 | 0 | 0 | 0 | 113 | Y444 Y445 C446 F452 | Y444-T448 HydrophobicContact CD1-CG2 4.32Å; Y444-T448 HydrophobicContact CD2-CG2 4.41Å; Y444-T448 HydrophobicContact CE1-CG2 3.84Å; Y444-T448 HydrophobicContact CE2-CG2 3.93Å; Y444-T448 WeakPolarHBondContact O-CB 3.39Å; Y444-T448 WeakPolarHBondContact O-CG2 3.42Å; Y444-T448 PolarHBondContact O-N 3.05Å; Y444-T448 PolarHBondContact O-OG1 3.32Å; Y445-T448 PolarHBondContact O-OG1 3.08Å; C446-T448 PolarHBondContact O-N 3.46Å; T448-F452 VanDerWaalsContact O-CB 3.32Å; T448-F452 WeakPolarHBondContact O-CB 3.45Å; T448-F452 PolarHBondContact O-N 2.92Å; T448-F452 VanDerWaalsContact O-N 3.13Å |
| 449 | N | 92.1 | Very high | 80.8 | Confident | 42 Ų | 42 | 75.5 Ų | 75.5 | 23% | 0.225 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.3 | -34.1 | 177 | -66.6 | -80.2 | 0 | 0 | 0 | 112.6 | F120 Y445 S453 | F120-N449 HydrophobicContact CD1-CB 4.06Å; F120-N449 HydrophobicContact CD2-CB 3.49Å; F120-N449 VanDerWaalsContact CD2-CB 3.49Å; F120-N449 HydrophobicContact CE1-CB 4.06Å; F120-N449 HydrophobicContact CE2-CB 3.49Å; F120-N449 VanDerWaalsContact CE2-CB 3.49Å; F120-N449 HydrophobicContact CG-CB 3.78Å; F120-N449 HydrophobicContact CZ-CB 3.79Å; Y445-N449 WeakPolarHBondContact CD2-ND2 3.48Å; Y445-N449 WeakPolarHBondContact CE2-ND2 3.49Å; Y445-N449 VanDerWaalsContact CZ-ND2 3.33Å; Y445-N449 PolarHBondContact O-N 3.45Å; Y445-N449 PolarHBondContact O-ND2 2.99Å; N449-S453 WeakPolarHBondContact O-CB 3.41Å; N449-S453 PolarHBondContact O-N 2.97Å; N449-S453 PolarHBondContact O-OG 2.83Å |
| 450 | L | 91.8 | Very high | 83 | Confident | 15 Ų | 15 | 71.6 Ų | 71.6 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.4 | -55.9 | 173.2 | 175.9 | 70 | 0 | 0 | 0 | 111.6 | G121 I122 A132 C446 F447 F452 S453 A454 | G121-L450 WeakPolarHBondContact O-CD1 3.38Å; I122-L450 HydrophobicContact CG1-CD1 3.69Å; I122-L450 HydrophobicContact CG1-CG 4.34Å; A132-L450 HydrophobicContact CB-CD1 4.18Å; A132-L450 HydrophobicContact CB-CD2 3.74Å; C446-L450 WeakPolarHBondContact O-CB 3.38Å; C446-L450 PolarHBondContact O-N 3.46Å; F447-L450 PolarHBondContact O-N 3.03Å; L450-F452 VanDerWaalsContact C-N 3.28Å; L450-F452 PolarHBondContact O-N 3.36Å; L450-S453 PolarHBondContact O-N 2.9Å; L450-A454 WeakPolarHBondContact O-CB 3.43Å; L450-A454 PolarHBondContact O-N 3.13Å |
| 451 | C | 90.6 | Very high | 85.2 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 38% | 0.378 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 178.9 | -68.1 | 0 | 0 | 0 | 0 | 112 | F447 L455 | F447-C451 WeakPolarHBondContact O-CB 3.34Å; F447-C451 PolarHBondContact O-N 3.33Å; F447-C451 PolarHBondContact O-SG 3.03Å; C451-L455 WeakPolarHBondContact O-CB 3.43Å; C451-L455 PolarHBondContact O-N 2.77Å |
| 452 | F | 94.6 | Very high | 87.4 | Confident | 107 Ų | 107 | 66.6 Ų | 66.6 | 47% | 0.469 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 176.5 | -178.8 | -108.9 | 0 | 0 | 0 | 112.7 | T448 L450 K456 | T448-F452 VanDerWaalsContact O-CB 3.32Å; T448-F452 WeakPolarHBondContact O-CB 3.45Å; T448-F452 PolarHBondContact O-N 2.92Å; T448-F452 VanDerWaalsContact O-N 3.13Å; L450-F452 VanDerWaalsContact C-N 3.28Å; L450-F452 PolarHBondContact O-N 3.36Å; F452-K456 HydrophobicContact CD1-CD 4.31Å; F452-K456 HydrophobicContact CE1-CD 3.91Å; F452-K456 HydrophobicContact CE2-CD 4.44Å; F452-K456 HydrophobicContact CZ-CD 4Å; F452-K456 WeakPolarHBondContact O-CB 3.35Å; F452-K456 WeakPolarHBondContact O-CG 3.45Å; F452-K456 PolarHBondContact O-N 3.32Å |
| 453 | S | 96.7 | Very high | 89.3 | Confident | 7 Ų | 7 | 68.7 Ų | 68.7 | 5% | 0.049 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.7 | -39.1 | -179.1 | -54.3 | 0 | 0 | 0 | 0 | 112 | F120 N449 L450 K456 A457 | F120-S453 WeakPolarHBondContact O-CB 3.32Å; N449-S453 WeakPolarHBondContact O-CB 3.41Å; N449-S453 PolarHBondContact O-N 2.97Å; N449-S453 PolarHBondContact O-OG 2.83Å; L450-S453 PolarHBondContact O-N 2.9Å; S453-K456 PolarHBondContact O-N 2.93Å; S453-A457 WeakPolarHBondContact O-CB 3.5Å; S453-A457 PolarHBondContact O-N 3.07Å |
| 454 | A | 95.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 64.7 Ų | 64.7 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I122 L450 K456 A457 R458 | I122-A454 HydrophobicContact CD1-CB 3.8Å; I122-A454 HydrophobicContact CG1-CB 4.3Å; L450-A454 WeakPolarHBondContact O-CB 3.43Å; L450-A454 PolarHBondContact O-N 3.13Å; A454-K456 VanDerWaalsContact C-N 3.33Å; A454-K456 PolarHBondContact O-N 2.86Å; A454-A457 PolarHBondContact O-N 3.39Å; A454-R458 WeakPolarHBondContact O-CG 3.49Å; A454-R458 PolarHBondContact O-N 3.09Å |
| 455 | L | 96.1 | Very high | 92.6 | Very high | 99 Ų | 99 | 59.9 Ų | 59.9 | 52% | 0.518 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 175.2 | 179.1 | 63.7 | 0 | 0 | 0 | 111.8 | C451 K459 | C451-L455 WeakPolarHBondContact O-CB 3.43Å; C451-L455 PolarHBondContact O-N 2.77Å; L455-K459 WeakPolarHBondContact O-CG 3.5Å; L455-K459 PolarHBondContact O-N 2.94Å |
| 456 | K | 98.3 | Very high | 93.9 | Very high | 78 Ų | 78 | 56.7 Ų | 56.7 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 175.3 | -80.5 | -175.5 | 157.8 | -161.1 | 0 | 113 | Y96 F452 S453 A454 R458 K459 A460 | Y96-K456 HydrophobicContact CD1-CB 3.63Å; Y96-K456 HydrophobicContact CD1-CD 4.1Å; Y96-K456 HydrophobicContact CD2-CB 4.19Å; Y96-K456 HydrophobicContact CD2-CD 3.93Å; Y96-K456 HydrophobicContact CE1-CB 3.99Å; Y96-K456 HydrophobicContact CE1-CD 3.67Å; Y96-K456 HydrophobicContact CE2-CD 3.49Å; Y96-K456 VanDerWaalsContact CE2-CD 3.49Å; Y96-K456 HydrophobicContact CG-CB 3.74Å; Y96-K456 HydrophobicContact CG-CD 4.21Å; Y96-K456 PolarHBondContact OH-NZ 2.87Å; F452-K456 HydrophobicContact CD1-CD 4.31Å; F452-K456 HydrophobicContact CE1-CD 3.91Å; F452-K456 HydrophobicContact CE2-CD 4.44Å; F452-K456 HydrophobicContact CZ-CD 4Å; F452-K456 WeakPolarHBondContact O-CB 3.35Å; F452-K456 WeakPolarHBondContact O-CG 3.45Å; F452-K456 PolarHBondContact O-N 3.32Å; S453-K456 PolarHBondContact O-N 2.93Å; A454-K456 VanDerWaalsContact C-N 3.33Å; A454-K456 PolarHBondContact O-N 2.86Å; K456-R458 VanDerWaalsContact C-N 3.3Å; K456-R458 PolarHBondContact O-N 3.07Å; K456-K459 PolarHBondContact O-N 2.92Å; K456-A460 WeakPolarHBondContact O-CB 3.49Å; K456-A460 PolarHBondContact O-N 2.79Å |
| 457 | A | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.9 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G97 V98 E109 G110 S453 A454 A460 A461 | G97-A457 WeakPolarHBondContact O-CB 3.32Å; V98-A457 HydrophobicContact CG2-CB 4.14Å; E109-A457 HydrophobicContact CB-CB 4.48Å; G110-A457 VanDerWaalsContact N-CB 3.33Å; S453-A457 WeakPolarHBondContact O-CB 3.5Å; S453-A457 PolarHBondContact O-N 3.07Å; A454-A457 PolarHBondContact O-N 3.39Å; A457-A460 PolarHBondContact O-N 3.17Å; A457-A461 PolarHBondContact O-N 3.35Å |
| 458 | R | 98.1 | Very high | 95.4 | Very high | 119 Ų | 119 | 53.3 Ų | 53.3 | 45% | 0.449 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -56.8 | 172.9 | -68.3 | 168.6 | -170.5 | -161.2 | -2.8 | 111.1 | E109 A454 K456 A460 A461 D462 | E109-R458 IonicContact OE1-NE 3.76Å; E109-R458 IonicContact OE1-NH2 3.81Å; E109-R458 IonicContact OE2-CZ 2.69Å; E109-R458 IonicContact OE2-NE 3.31Å; E109-R458 PolarHBondContact OE2-NE 3.04Å; E109-R458 IonicContact OE2-NH2 3.4Å; E109-R458 PolarHBondContact OE2-NH2 3.3Å; A454-R458 WeakPolarHBondContact O-CG 3.49Å; A454-R458 PolarHBondContact O-N 3.09Å; K456-R458 VanDerWaalsContact C-N 3.3Å; K456-R458 PolarHBondContact O-N 3.07Å; R458-A460 PolarHBondContact O-N 3.38Å; R458-A460 VanDerWaalsContact O-N 3.12Å; R458-A461 CarbonylContact O-C 3.5Å; R458-A461 WeakPolarHBondContact O-CA 3.24Å; R458-A461 WeakPolarHBondContact O-CB 3.24Å; R458-A461 PolarHBondContact O-N 2.84Å; R458-D462 PolarHBondContact O-N 3.36Å |
| 459 | K | 98.1 | Very high | 95.8 | Very high | 141 Ų | 141 | 57.1 Ų | 57.1 | 61% | 0.613 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -56.8 | -33.2 | 178.8 | -70.2 | -165.1 | 176.2 | -154.3 | 0 | 113.8 | L455 K456 D462 L463 | L455-K459 WeakPolarHBondContact O-CG 3.5Å; L455-K459 PolarHBondContact O-N 2.94Å; K456-K459 PolarHBondContact O-N 2.92Å; K459-D462 WeakPolarHBondContact CA-OD2 3.43Å; K459-D462 PolarHBondContact N-OD2 3.34Å; K459-L463 VanDerWaalsContact O-CB 3.23Å; K459-L463 WeakPolarHBondContact O-CB 3.41Å; K459-L463 PolarHBondContact O-N 3.04Å |
| 460 | A | 98.2 | Very high | 96 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 5% | 0.05 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.4 | -36.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | N74 E87 Y96 K456 A457 R458 A464 | N74-A460 PolarHBondContact ND2-O 3.49Å; E87-A460 HydrophobicContact CG-CB 4.08Å; Y96-A460 WeakPolarHBondContact O-CB 3.26Å; K456-A460 WeakPolarHBondContact O-CB 3.49Å; K456-A460 PolarHBondContact O-N 2.79Å; A457-A460 PolarHBondContact O-N 3.17Å; R458-A460 PolarHBondContact O-N 3.38Å; R458-A460 VanDerWaalsContact O-N 3.12Å; A460-A464 WeakPolarHBondContact O-CB 3.45Å; A460-A464 PolarHBondContact O-N 3.02Å |
| 461 | A | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.6 | -42.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q85 V98 A457 R458 L463 A464 I465 | Q85-A461 HydrophobicContact CB-CB 3.73Å; V98-A461 HydrophobicContact CB-CB 4.23Å; V98-A461 HydrophobicContact CG2-CB 3.89Å; A457-A461 PolarHBondContact O-N 3.35Å; R458-A461 CarbonylContact O-C 3.5Å; R458-A461 WeakPolarHBondContact O-CA 3.24Å; R458-A461 WeakPolarHBondContact O-CB 3.24Å; R458-A461 PolarHBondContact O-N 2.84Å; A461-L463 PolarHBondContact O-N 3.47Å; A461-A464 WeakPolarHBondContact O-CB 3.48Å; A461-A464 PolarHBondContact O-N 3.25Å; A461-A464 VanDerWaalsContact O-N 3.17Å; A461-I465 WeakPolarHBondContact O-CG1 3.45Å; A461-I465 PolarHBondContact O-N 3.47Å |
| 462 | D | 96.7 | Very high | 96.5 | Very high | 96 Ų | 96 | 59.8 Ų | 59.8 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 176.7 | -54.6 | -37.1 | 0 | 0 | 0 | 110.7 | R458 K459 I465 S466 | R458-D462 PolarHBondContact O-N 3.36Å; K459-D462 WeakPolarHBondContact CA-OD2 3.43Å; K459-D462 PolarHBondContact N-OD2 3.34Å; D462-I465 PolarHBondContact O-N 3.49Å; D462-S466 PolarHBondContact O-N 3.09Å |
| 463 | L | 97 | Very high | 96.6 | Very high | 86 Ų | 86 | 60 Ų | 60 | 45% | 0.45 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 173.9 | 179.4 | 58.8 | 0 | 0 | 0 | 112.2 | K459 A461 S466 I467 | K459-L463 VanDerWaalsContact O-CB 3.23Å; K459-L463 WeakPolarHBondContact O-CB 3.41Å; K459-L463 PolarHBondContact O-N 3.04Å; A461-L463 PolarHBondContact O-N 3.47Å; L463-S466 PolarHBondContact O-N 3.25Å; L463-I467 HydrophobicContact CD1-CD1 3.97Å; L463-I467 HydrophobicContact CG-CD1 3.99Å; L463-I467 PolarHBondContact O-N 3.33Å; L463-I467 VanDerWaalsContact O-N 3.11Å |
| 464 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N74 G75 A460 A461 S466 I467 I468 | N74-A464 HydrophobicContact CB-CB 4.39Å; G75-A464 WeakPolarHBondContact O-CB 3.42Å; A460-A464 WeakPolarHBondContact O-CB 3.45Å; A460-A464 PolarHBondContact O-N 3.02Å; A461-A464 WeakPolarHBondContact O-CB 3.48Å; A461-A464 PolarHBondContact O-N 3.25Å; A461-A464 VanDerWaalsContact O-N 3.17Å; A464-S466 VanDerWaalsContact C-N 3.31Å; A464-S466 PolarHBondContact O-N 3.46Å; A464-I467 PolarHBondContact O-N 3.34Å; A464-I467 VanDerWaalsContact O-N 3.11Å; A464-I468 HydrophobicContact CB-CD1 4.34Å; A464-I468 WeakPolarHBondContact O-CD1 3.42Å; A464-I468 WeakPolarHBondContact O-CG1 3.24Å; A464-I468 PolarHBondContact O-N 3.12Å |
| 465 | I | 94.8 | Very high | 96.7 | Very high | 70 Ų | 70 | 60.3 Ų | 60.3 | 36% | 0.359 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.6 | -44.6 | 177.8 | -69 | 164.1 | 0 | 0 | 0 | 111.4 | A461 D462 I468 Q469 | A461-I465 WeakPolarHBondContact O-CG1 3.45Å; A461-I465 PolarHBondContact O-N 3.47Å; D462-I465 PolarHBondContact O-N 3.49Å; I465-I468 PolarHBondContact O-N 2.82Å; I465-Q469 WeakPolarHBondContact O-CG 3.4Å; I465-Q469 PolarHBondContact O-N 2.69Å; I465-Q469 VanDerWaalsContact O-N 3.15Å |
| 466 | S | 93.8 | Very high | 96.7 | Very high | 71 Ų | 71 | 58.9 Ų | 58.9 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 175.3 | -179 | 0 | 0 | 0 | 0 | 112.4 | D462 L463 A464 I468 Q469 K470 | D462-S466 PolarHBondContact O-N 3.09Å; L463-S466 PolarHBondContact O-N 3.25Å; A464-S466 VanDerWaalsContact C-N 3.31Å; A464-S466 PolarHBondContact O-N 3.46Å; S466-I468 VanDerWaalsContact C-N 3.26Å; S466-I468 PolarHBondContact O-N 3.46Å; S466-Q469 WeakPolarHBondContact O-CB 3.37Å; S466-Q469 PolarHBondContact O-N 3.15Å; S466-K470 PolarHBondContact O-N 3.42Å |
| 467 | I | 97 | Very high | 96.6 | Very high | 36 Ų | 36 | 58.7 Ų | 58.7 | 19% | 0.185 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -28.3 | 179.4 | -74.2 | 164.9 | 0 | 0 | 0 | 112.1 | T65 N74 L463 A464 K470 A471 | T65-I467 HydrophobicContact CG2-CG2 4.12Å; N74-I467 HydrophobicContact CB-CD1 3.76Å; L463-I467 HydrophobicContact CD1-CD1 3.97Å; L463-I467 HydrophobicContact CG-CD1 3.99Å; L463-I467 PolarHBondContact O-N 3.33Å; L463-I467 VanDerWaalsContact O-N 3.11Å; A464-I467 PolarHBondContact O-N 3.34Å; A464-I467 VanDerWaalsContact O-N 3.11Å; I467-K470 WeakPolarHBondContact O-CB 3.34Å; I467-K470 PolarHBondContact O-N 3.47Å; I467-A471 WeakPolarHBondContact O-CB 3.33Å; I467-A471 PolarHBondContact O-N 3.05Å |
| 468 | I | 93.2 | Very high | 96.5 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 16% | 0.159 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.2 | -35.2 | 174.7 | -67.8 | 152.1 | 0 | 0 | 0 | 111.8 | A63 I76 A464 I465 S466 K470 A471 L472 | A63-I468 HydrophobicContact CB-CG1 4.08Å; A63-I468 HydrophobicContact CB-CG2 3.99Å; A63-I468 WeakPolarHBondContact O-CG1 3.32Å; I76-I468 HydrophobicContact CB-CD1 3.41Å; I76-I468 VanDerWaalsContact CB-CD1 3.41Å; I76-I468 HydrophobicContact CB-CG1 4.34Å; I76-I468 HydrophobicContact CD1-CD1 3.43Å; I76-I468 VanDerWaalsContact CD1-CD1 3.43Å; I76-I468 HydrophobicContact CG1-CD1 3.28Å; A464-I468 HydrophobicContact CB-CD1 4.34Å; A464-I468 WeakPolarHBondContact O-CD1 3.42Å; A464-I468 WeakPolarHBondContact O-CG1 3.24Å; A464-I468 PolarHBondContact O-N 3.12Å; I465-I468 PolarHBondContact O-N 2.82Å; S466-I468 VanDerWaalsContact C-N 3.26Å; S466-I468 PolarHBondContact O-N 3.46Å; I468-K470 VanDerWaalsContact C-N 3.28Å; I468-K470 PolarHBondContact O-N 2.74Å; I468-A471 PolarHBondContact O-N 3.24Å; I468-L472 WeakPolarHBondContact O-CB 3.44Å; I468-L472 PolarHBondContact O-N 3.45Å |
| 469 | Q | 95.1 | Very high | 96.4 | Very high | 131 Ų | 131 | 53.8 Ų | 53.8 | 61% | 0.612 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.8 | -41.4 | 171.1 | -68 | 171 | -1.6 | 0 | 0 | 110.4 | I465 S466 H473 | I465-Q469 WeakPolarHBondContact O-CG 3.4Å; I465-Q469 PolarHBondContact O-N 2.69Å; I465-Q469 VanDerWaalsContact O-N 3.15Å; S466-Q469 WeakPolarHBondContact O-CB 3.37Å; S466-Q469 PolarHBondContact O-N 3.15Å; Q469-H473 VanDerWaalsContact O-CB 3.3Å; Q469-H473 WeakPolarHBondContact O-CB 3.28Å; Q469-H473 PolarHBondContact O-N 3.06Å |
| 470 | K | 97.4 | Very high | 96.2 | Very high | 99 Ų | 99 | 52.6 Ų | 52.6 | 43% | 0.43 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -52.1 | 170.8 | -166.7 | -162.7 | 175.2 | -129.9 | 0 | 111.7 | E43 S466 I467 I468 L472 H473 L474 | E43-K470 IonicContact OE2-NZ 2.66Å; E43-K470 PolarHBondContact OE2-NZ 3.41Å; S466-K470 PolarHBondContact O-N 3.42Å; I467-K470 WeakPolarHBondContact O-CB 3.34Å; I467-K470 PolarHBondContact O-N 3.47Å; I468-K470 VanDerWaalsContact C-N 3.28Å; I468-K470 PolarHBondContact O-N 2.74Å; K470-L472 VanDerWaalsContact C-N 3.33Å; K470-L472 PolarHBondContact O-N 2.95Å; K470-H473 PolarHBondContact O-N 3.24Å; K470-L474 HydrophobicContact CD-CD1 4.1Å; K470-L474 HydrophobicContact CG-CD1 3.86Å; K470-L474 HydrophobicContact CG-CG 4.39Å; K470-L474 WeakPolarHBondContact O-CG 3.42Å; K470-L474 PolarHBondContact O-N 3.4Å |
| 471 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -37.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I467 I468 S475 | I467-A471 WeakPolarHBondContact O-CB 3.33Å; I467-A471 PolarHBondContact O-N 3.05Å; I468-A471 PolarHBondContact O-N 3.24Å; A471-S475 WeakPolarHBondContact O-CB 3.17Å; A471-S475 PolarHBondContact O-N 3.22Å |
| 472 | L | 94.9 | Very high | 95.9 | Very high | 69 Ų | 69 | 53.5 Ų | 53.5 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.4 | -38.8 | 175.5 | -179.1 | 59.8 | 0 | 0 | 0 | 111.9 | I468 K470 S475 N476 | I468-L472 WeakPolarHBondContact O-CB 3.44Å; I468-L472 PolarHBondContact O-N 3.45Å; K470-L472 VanDerWaalsContact C-N 3.33Å; K470-L472 PolarHBondContact O-N 2.95Å; L472-S475 PolarHBondContact O-N 2.96Å; L472-N476 WeakPolarHBondContact O-CB 3.48Å; L472-N476 PolarHBondContact O-N 3.24Å; L472-N476 PolarHBondContact O-ND2 3.33Å; L472-N476 PolarHBondContact O-OD1 3.08Å |
| 473 | H | 96.3 | Very high | 95.8 | Very high | 113 Ų | 113 | 55.5 Ų | 55.5 | 52% | 0.523 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62 | -49.6 | 173.5 | -174.8 | 79.3 | 0 | 0 | 0 | 111.1 | Q469 K470 S475 N476 Q477 | Q469-H473 VanDerWaalsContact O-CB 3.3Å; Q469-H473 WeakPolarHBondContact O-CB 3.28Å; Q469-H473 PolarHBondContact O-N 3.06Å; K470-H473 PolarHBondContact O-N 3.24Å; H473-S475 PolarHBondContact O-N 3.39Å; H473-N476 PolarHBondContact O-N 3.41Å; H473-Q477 PolarHBondContact CD2-OE1 3.32Å; H473-Q477 PolarHBondContact NE2-NE2 3.15Å; H473-Q477 WeakPolarHBondContact O-CG 3.34Å; H473-Q477 PolarHBondContact O-N 2.91Å |
| 474 | L | 97.8 | Very high | 95.6 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 9% | 0.089 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.5 | -68.6 | 167.3 | 0 | 0 | 0 | 112.2 | L28 E43 C51 K470 N476 Q477 A478 | L28-L474 HydrophobicContact CD2-CB 4.41Å; L28-L474 HydrophobicContact CD2-CD2 3.82Å; E43-L474 HydrophobicContact CB-CD1 3.89Å; E43-L474 HydrophobicContact CB-CD2 4.32Å; E43-L474 WeakPolarHBondContact OE2-CD1 3.3Å; C51-L474 HydrophobicContact CB-CD1 3.81Å; K470-L474 HydrophobicContact CD-CD1 4.1Å; K470-L474 HydrophobicContact CG-CD1 3.86Å; K470-L474 HydrophobicContact CG-CG 4.39Å; K470-L474 WeakPolarHBondContact O-CG 3.42Å; K470-L474 PolarHBondContact O-N 3.4Å; L474-N476 PolarHBondContact O-N 3.3Å; L474-Q477 PolarHBondContact O-N 3.24Å; L474-A478 WeakPolarHBondContact O-CB 3.21Å; L474-A478 PolarHBondContact O-N 3.14Å |
| 475 | S | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 173.7 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | S41 A471 L472 H473 A478 R479 R497 | S41-S475 WeakPolarHBondContact O-CA 3.33Å; S41-S475 WeakPolarHBondContact O-CB 3.34Å; S41-S475 PolarHBondContact OG-OG 3.25Å; A471-S475 WeakPolarHBondContact O-CB 3.17Å; A471-S475 PolarHBondContact O-N 3.22Å; L472-S475 PolarHBondContact O-N 2.96Å; H473-S475 PolarHBondContact O-N 3.39Å; S475-A478 PolarHBondContact O-N 3.09Å; S475-R479 VanDerWaalsContact O-CG 3.32Å; S475-R479 WeakPolarHBondContact O-CG 3.27Å; S475-R479 PolarHBondContact O-N 2.91Å; S475-R497 PolarHBondContact OG-NH2 2.69Å |
| 476 | N | 95.5 | Very high | 95.2 | Very high | 69 Ų | 69 | 61 Ų | 61 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 179.1 | -64.5 | -13.6 | 0 | 0 | 0 | 111.5 | L472 H473 L474 A478 R479 E480 R497 | L472-N476 WeakPolarHBondContact O-CB 3.48Å; L472-N476 PolarHBondContact O-N 3.24Å; L472-N476 PolarHBondContact O-ND2 3.33Å; L472-N476 PolarHBondContact O-OD1 3.08Å; H473-N476 PolarHBondContact O-N 3.41Å; L474-N476 PolarHBondContact O-N 3.3Å; N476-A478 PolarHBondContact O-N 3.33Å; N476-R479 WeakPolarHBondContact O-CB 3.47Å; N476-R479 PolarHBondContact O-N 2.75Å; N476-E480 WeakPolarHBondContact O-CG 3.38Å; N476-E480 PolarHBondContact O-N 3.41Å; N476-R497 PolarHBondContact OD1-NH1 3.21Å |
| 477 | Q | 96.8 | Very high | 95.1 | Very high | 75 Ų | 75 | 61.4 Ų | 61.4 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 174.6 | -71.5 | 179.2 | -48 | 0 | 0 | 112.6 | L28 H473 L474 R479 E480 L481 | L28-Q477 HydrophobicContact CD1-CB 3.73Å; L28-Q477 HydrophobicContact CD2-CB 4.22Å; H473-Q477 PolarHBondContact CD2-OE1 3.32Å; H473-Q477 PolarHBondContact NE2-NE2 3.15Å; H473-Q477 WeakPolarHBondContact O-CG 3.34Å; H473-Q477 PolarHBondContact O-N 2.91Å; L474-Q477 PolarHBondContact O-N 3.24Å; Q477-R479 VanDerWaalsContact C-N 3.33Å; Q477-R479 PolarHBondContact O-N 2.98Å; Q477-E480 PolarHBondContact O-N 2.7Å; Q477-L481 WeakPolarHBondContact O-CB 3.17Å; Q477-L481 PolarHBondContact O-N 3.08Å |
| 478 | A | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.3 | -34.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L28 L474 S475 N476 A482 | L28-A478 HydrophobicContact CB-CB 4.37Å; L28-A478 HydrophobicContact CD2-CB 4.44Å; L474-A478 WeakPolarHBondContact O-CB 3.21Å; L474-A478 PolarHBondContact O-N 3.14Å; S475-A478 PolarHBondContact O-N 3.09Å; N476-A478 PolarHBondContact O-N 3.33Å; A478-A482 WeakPolarHBondContact O-CB 3.38Å; A478-A482 PolarHBondContact O-N 2.81Å |
| 479 | R | 95.2 | Very high | 94.6 | Very high | 15 Ų | 15 | 68.5 Ų | 68.5 | 6% | 0.057 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.6 | -43.2 | 174.2 | -70 | -179.5 | -168.3 | -72.6 | -9.4 | 113 | L30 E39 S41 S475 N476 Q477 L481 A482 Y483 Q491 | L30-R479 HydrophobicContact CD1-CG 4.21Å; E39-R479 IonicContact OE1-CZ 3.43Å; E39-R479 IonicContact OE1-NH1 3.39Å; E39-R479 PolarHBondContact OE1-NH1 2.88Å; E39-R479 IonicContact OE1-NH2 3.32Å; E39-R479 PolarHBondContact OE1-NH2 3.27Å; E39-R479 IonicContact OE2-NH1 2.81Å; E39-R479 PolarHBondContact OE2-NH1 2.85Å; S41-R479 PolarHBondContact OG-NH2 3.14Å; S475-R479 VanDerWaalsContact O-CG 3.32Å; S475-R479 WeakPolarHBondContact O-CG 3.27Å; S475-R479 PolarHBondContact O-N 2.91Å; N476-R479 WeakPolarHBondContact O-CB 3.47Å; N476-R479 PolarHBondContact O-N 2.75Å; Q477-R479 VanDerWaalsContact C-N 3.33Å; Q477-R479 PolarHBondContact O-N 2.98Å; R479-L481 VanDerWaalsContact C-N 3.33Å; R479-A482 PolarHBondContact O-N 3.33Å; R479-Y483 WeakPolarHBondContact O-CB 3.49Å; R479-Y483 PolarHBondContact O-N 2.95Å; R479-Q491 VanDerWaalsContact CB-OE1 3.25Å; R479-Q491 PolarHBondContact O-NE2 2.88Å |
| 480 | E | 94.9 | Very high | 94.2 | Very high | 117 Ų | 117 | 67.7 Ų | 67.7 | 55% | 0.547 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 174.4 | -69.2 | -61.7 | 145.4 | 0 | 0 | 111.1 | N476 Q477 Y483 Q484 | N476-E480 WeakPolarHBondContact O-CG 3.38Å; N476-E480 PolarHBondContact O-N 3.41Å; Q477-E480 PolarHBondContact O-N 2.7Å; E480-Y483 PolarHBondContact O-N 3.11Å; E480-Q484 WeakPolarHBondContact O-CB 3.42Å; E480-Q484 VanDerWaalsContact O-CG 3.24Å; E480-Q484 WeakPolarHBondContact O-CG 3.23Å; E480-Q484 PolarHBondContact O-N 3.09Å; E480-Q484 PolarHBondContact O-NE2 3.49Å |
| 481 | L | 95.2 | Very high | 93.8 | Very high | 29 Ų | 29 | 63.8 Ų | 63.8 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175.1 | -179.4 | 136.8 | 0 | 0 | 0 | 112 | N19 L28 Q477 R479 Y483 Q484 L485 | N19-L481 WeakPolarHBondContact OD1-CD1 3.27Å; L28-L481 HydrophobicContact CB-CD1 4.39Å; Q477-L481 WeakPolarHBondContact O-CB 3.17Å; Q477-L481 PolarHBondContact O-N 3.08Å; R479-L481 VanDerWaalsContact C-N 3.33Å; L481-Y483 VanDerWaalsContact C-N 3.33Å; L481-Y483 PolarHBondContact O-N 3Å; L481-Q484 PolarHBondContact O-N 2.97Å; L481-L485 HydrophobicContact CD2-CD1 3.58Å; L481-L485 HydrophobicContact CD2-CG 4.48Å; L481-L485 HydrophobicContact CG-CD1 4.1Å; L481-L485 WeakPolarHBondContact O-CG 3.33Å; L481-L485 PolarHBondContact O-N 2.79Å |
| 482 | A | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I17 L30 A478 R479 L485 E486 | I17-A482 HydrophobicContact CB-CB 4.13Å; I17-A482 HydrophobicContact CG2-CB 4.07Å; L30-A482 HydrophobicContact CB-CB 4.3Å; L30-A482 HydrophobicContact CD1-CB 4.43Å; A478-A482 WeakPolarHBondContact O-CB 3.38Å; A478-A482 PolarHBondContact O-N 2.81Å; R479-A482 PolarHBondContact O-N 3.33Å; A482-L485 PolarHBondContact O-N 2.59Å; A482-E486 PolarHBondContact O-N 3.15Å |
| 483 | Y | 93 | Very high | 92.5 | Very high | 138 Ų | 138 | 61.3 Ų | 61.3 | 54% | 0.541 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.1 | -33.3 | 174.7 | 179.9 | -103.7 | 0 | 0 | 0 | 113.2 | R479 E480 L481 P487 | R479-Y483 WeakPolarHBondContact O-CB 3.49Å; R479-Y483 PolarHBondContact O-N 2.95Å; E480-Y483 PolarHBondContact O-N 3.11Å; L481-Y483 VanDerWaalsContact C-N 3.33Å; L481-Y483 PolarHBondContact O-N 3Å; Y483-P487 HydrophobicContact CD2-CB 4.48Å; Y483-P487 HydrophobicContact CE2-CB 4.17Å; Y483-P487 VanDerWaalsContact O-CA 3.31Å; Y483-P487 WeakPolarHBondContact O-CA 3.16Å; Y483-P487 VanDerWaalsContact O-CG 3.3Å; Y483-P487 WeakPolarHBondContact O-CG 3.5Å |
| 484 | Q | 93.3 | Very high | 91.8 | Very high | 141 Ų | 141 | 59.1 Ų | 59.1 | 66% | 0.659 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -71.4 | -34.8 | 175 | -74.7 | 166.8 | 42.9 | 0 | 0 | 112.9 | E480 L481 | E480-Q484 WeakPolarHBondContact O-CB 3.42Å; E480-Q484 VanDerWaalsContact O-CG 3.24Å; E480-Q484 WeakPolarHBondContact O-CG 3.23Å; E480-Q484 PolarHBondContact O-N 3.09Å; E480-Q484 PolarHBondContact O-NE2 3.49Å; L481-Q484 PolarHBondContact O-N 2.97Å |
| 485 | L | 92.7 | Very high | 90.9 | Very high | 70 Ų | 70 | 62.5 Ų | 62.5 | 37% | 0.366 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -80.7 | -38.6 | 179.2 | -67.7 | 174.1 | 0 | 0 | 0 | 112.8 | I17 L481 A482 | I17-L485 HydrophobicContact CG2-CB 3.98Å; I17-L485 HydrophobicContact CG2-CD1 4.09Å; L481-L485 HydrophobicContact CD2-CD1 3.58Å; L481-L485 HydrophobicContact CD2-CG 4.48Å; L481-L485 HydrophobicContact CG-CD1 4.1Å; L481-L485 WeakPolarHBondContact O-CG 3.33Å; L481-L485 PolarHBondContact O-N 2.79Å; A482-L485 PolarHBondContact O-N 2.59Å |
| 486 | E | 91.9 | Very high | 89.8 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 28% | 0.276 | 31% | 0.306 | S | S | . | . | trans | -142.4 | 80.8 | -177.1 | -175.8 | 74.7 | 127.9 | 0 | 0 | 110.3 | R7 I17 A482 Q488 F489 | R7-E486 WeakPolarHBondContact CD-OE1 3.32Å; R7-E486 IonicContact CZ-OE1 2.71Å; R7-E486 IonicContact NE-OE1 3.72Å; R7-E486 IonicContact NH1-OE1 3.52Å; R7-E486 PolarHBondContact NH1-OE1 2.89Å; I17-E486 HydrophobicContact CD1-CB 3.82Å; I17-E486 HydrophobicContact CD1-CG 4.09Å; A482-E486 PolarHBondContact O-N 3.15Å; E486-Q488 PolarHBondContact O-N 3.27Å; E486-F489 HydrophobicContact CB-CB 4.14Å; E486-F489 HydrophobicContact CG-CB 3.66Å; E486-F489 WeakPolarHBondContact O-CB 3.38Å; E486-F489 PolarHBondContact O-N 2.8Å | ||
| 487 | P | 90.8 | Very high | 88.8 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14.6 | -175 | -22.4 | 30.9 | 0 | 0 | 0 | 115.3 | Y483 | Y483-P487 HydrophobicContact CD2-CB 4.48Å; Y483-P487 HydrophobicContact CE2-CB 4.17Å; Y483-P487 VanDerWaalsContact O-CA 3.31Å; Y483-P487 WeakPolarHBondContact O-CA 3.16Å; Y483-P487 VanDerWaalsContact O-CG 3.3Å; Y483-P487 WeakPolarHBondContact O-CG 3.5Å |
| 488 | Q | 89.2 | Confident | 87.6 | Confident | 185 Ų | 185 | 66.1 Ų | 66.1 | 86% | 0.864 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -8.2 | 177.4 | -59.4 | -171.7 | 25.5 | 0 | 0 | 113.3 | E486 H490 | E486-Q488 PolarHBondContact O-N 3.27Å; Q488-H490 PolarHBondContact O-N 3.4Å |
| 489 | F | 90.1 | Very high | 86.1 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | trans | -73.7 | 119.3 | -178.7 | -179.9 | -100.9 | 0 | 0 | 0 | 111.8 | T15 I17 L30 T32 E486 Q491 | T15-F489 HydrophobicContact CG2-CD2 4.37Å; T15-F489 HydrophobicContact CG2-CE2 3.8Å; T15-F489 HydrophobicContact CG2-CZ 4.41Å; I17-F489 HydrophobicContact CD1-CB 3.69Å; I17-F489 HydrophobicContact CD1-CD1 3.74Å; I17-F489 HydrophobicContact CD1-CD2 3.63Å; I17-F489 HydrophobicContact CD1-CE1 4.25Å; I17-F489 HydrophobicContact CD1-CE2 4.15Å; I17-F489 HydrophobicContact CD1-CG 3.4Å; I17-F489 HydrophobicContact CD1-CZ 4.43Å; L30-F489 HydrophobicContact CD2-CE1 3.68Å; L30-F489 HydrophobicContact CD2-CZ 4.08Å; T32-F489 HydrophobicContact CG2-CZ 4.07Å; E486-F489 HydrophobicContact CB-CB 4.14Å; E486-F489 HydrophobicContact CG-CB 3.66Å; E486-F489 WeakPolarHBondContact O-CB 3.38Å; E486-F489 PolarHBondContact O-N 2.8Å; F489-Q491 HydrophobicContact CD1-CG 3.79Å; F489-Q491 HydrophobicContact CE1-CG 3.98Å; F489-Q491 PolarHBondContact O-N 3.24Å | ||
| 490 | H | 88.3 | Confident | 84.3 | Confident | 114 Ų | 114 | 71.8 Ų | 71.8 | 53% | 0.528 | 33% | 0.332 | S | S | . | . | trans | -72 | 124.1 | 170.9 | 176 | 90.8 | 0 | 0 | 0 | 110.3 | Q488 P492 E495 | Q488-H490 PolarHBondContact O-N 3.4Å; H490-P492 WeakPolarHBondContact NE2-CA 3.44Å; H490-P492 VanDerWaalsContact O-CD 3.24Å; H490-P492 WeakPolarHBondContact O-CD 3.27Å; H490-E495 IonicContact CE1-OE1 2.62Å | ||
| 491 | Q | 87.8 | Confident | 82.5 | Confident | 17 Ų | 17 | 72.1 Ų | 72.1 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | trans | -98.1 | 95 | 177.8 | -60.8 | -178.2 | 15.7 | 0 | 0 | 110.4 | L30 R479 F489 G493 I494 | L30-Q491 HydrophobicContact CD1-CB 4.24Å; L30-Q491 HydrophobicContact CD1-CG 3.82Å; R479-Q491 VanDerWaalsContact CB-OE1 3.25Å; R479-Q491 PolarHBondContact O-NE2 2.88Å; F489-Q491 HydrophobicContact CD1-CG 3.79Å; F489-Q491 HydrophobicContact CE1-CG 3.98Å; F489-Q491 PolarHBondContact O-N 3.24Å; Q491-G493 PolarHBondContact O-N 3.03Å; Q491-I494 HydrophobicContact CB-CD1 3.9Å; Q491-I494 HydrophobicContact CB-CG1 4.01Å; Q491-I494 WeakPolarHBondContact O-CB 3.48Å; Q491-I494 PolarHBondContact O-N 3.32Å; Q491-I494 VanDerWaalsContact O-N 3.08Å | ||
| 492 | P | 84.2 | Confident | 80.1 | Confident | 17 Ų | 17 | 80.7 Ų | 80.7 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.8 | -22.6 | -169.1 | 30 | -37.6 | 0 | 0 | 0 | 113.4 | T32 E39 H490 I494 E495 W496 | T32-P492 HydrophobicContact CG2-CG 3.73Å; E39-P492 WeakPolarHBondContact OE2-CD 3.43Å; H490-P492 WeakPolarHBondContact NE2-CA 3.44Å; H490-P492 VanDerWaalsContact O-CD 3.24Å; H490-P492 WeakPolarHBondContact O-CD 3.27Å; P492-I494 PolarHBondContact O-N 2.86Å; P492-E495 WeakPolarHBondContact O-CB 3.5Å; P492-E495 PolarHBondContact O-N 3.3Å; P492-W496 HydrophobicContact CB-CE3 4.46Å; P492-W496 HydrophobicContact CB-CH2 3.53Å; P492-W496 HydrophobicContact CB-CZ2 3.79Å; P492-W496 HydrophobicContact CB-CZ3 3.91Å; P492-W496 HydrophobicContact CG-CH2 3.56Å; P492-W496 HydrophobicContact CG-CZ2 4.32Å; P492-W496 HydrophobicContact CG-CZ3 3.8Å; P492-W496 PolarHBondContact O-N 3.43Å; P492-W496 VanDerWaalsContact O-N 3.1Å |
| 493 | G | 81.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.3 | -22 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E39 L55 Q491 E495 R497 | E39-G493 WeakPolarHBondContact OE1-CA 3.42Å; E39-G493 WeakPolarHBondContact OE2-CA 3.5Å; E39-G493 PolarHBondContact OE2-N 2.9Å; L55-G493 WeakPolarHBondContact CD1-O 3.36Å; Q491-G493 PolarHBondContact O-N 3.03Å; G493-E495 VanDerWaalsContact C-N 3.26Å; G493-E495 PolarHBondContact O-N 3.42Å; G493-R497 WeakPolarHBondContact O-CB 3.18Å; G493-R497 PolarHBondContact O-N 3.46Å |
| 494 | I | 81.8 | Confident | 75.4 | Confident | 68 Ų | 68 | 81 Ų | 81 | 35% | 0.349 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 171.1 | -56.9 | -179 | 0 | 0 | 0 | 110 | Q491 P492 R498 | Q491-I494 HydrophobicContact CB-CD1 3.9Å; Q491-I494 HydrophobicContact CB-CG1 4.01Å; Q491-I494 WeakPolarHBondContact O-CB 3.48Å; Q491-I494 PolarHBondContact O-N 3.32Å; Q491-I494 VanDerWaalsContact O-N 3.08Å; P492-I494 PolarHBondContact O-N 2.86Å; I494-R498 WeakPolarHBondContact O-CG 3.33Å; I494-R498 PolarHBondContact O-N 3.12Å |
| 495 | E | 78.7 | Confident | 72.5 | Confident | 88 Ų | 88 | 79.6 Ų | 79.6 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -76.9 | -43 | 179.1 | -49.8 | -141.5 | 139.4 | 0 | 0 | 112.2 | H490 P492 G493 R497 R498 K499 | H490-E495 IonicContact CE1-OE1 2.62Å; P492-E495 WeakPolarHBondContact O-CB 3.5Å; P492-E495 PolarHBondContact O-N 3.3Å; G493-E495 VanDerWaalsContact C-N 3.26Å; G493-E495 PolarHBondContact O-N 3.42Å; E495-R497 VanDerWaalsContact C-N 3.33Å; E495-R497 PolarHBondContact O-N 3.33Å; E495-R498 WeakPolarHBondContact O-CB 3.12Å; E495-R498 PolarHBondContact O-N 3.05Å; E495-R498 VanDerWaalsContact O-N 3.12Å; E495-R498 IonicContact OE1-NH1 3.41Å; E495-R498 PolarHBondContact OE1-NH1 2.82Å; E495-K499 PolarHBondContact O-N 3.47Å |
| 496 | W | 74.3 | Confident | 69.9 | Low | 29 Ų | 29 | 78.6 Ų | 78.6 | 11% | 0.11 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 174.4 | -58.2 | -43.1 | 0 | 0 | 0 | 111.4 | G36 G38 E39 L55 P492 R498 K499 C500 | G36-W496 WeakPolarHBondContact O-CH2 3.41Å; G38-W496 VanDerWaalsContact CA-CZ3 3.46Å; E39-W496 HydrophobicContact CB-CE3 4.36Å; E39-W496 HydrophobicContact CB-CZ3 3.7Å; L55-W496 HydrophobicContact CB-CB 4.46Å; L55-W496 HydrophobicContact CB-CE3 4.16Å; P492-W496 HydrophobicContact CB-CE3 4.46Å; P492-W496 HydrophobicContact CB-CH2 3.53Å; P492-W496 HydrophobicContact CB-CZ2 3.79Å; P492-W496 HydrophobicContact CB-CZ3 3.91Å; P492-W496 HydrophobicContact CG-CH2 3.56Å; P492-W496 HydrophobicContact CG-CZ2 4.32Å; P492-W496 HydrophobicContact CG-CZ3 3.8Å; P492-W496 PolarHBondContact O-N 3.43Å; P492-W496 VanDerWaalsContact O-N 3.1Å; W496-R498 VanDerWaalsContact C-N 3.27Å; W496-R498 PolarHBondContact O-N 3Å; W496-K499 CarbonylContact O-C 3.58Å; W496-K499 WeakPolarHBondContact O-CA 3.08Å; W496-K499 WeakPolarHBondContact O-CB 3.36Å; W496-K499 PolarHBondContact O-N 3.03Å; W496-C500 PolarHBondContact O-N 2.95Å; W496-C500 PolarHBondContact O-SG 3.3Å |
| 497 | R | 73.4 | Confident | 67.1 | Low | 62 Ų | 62 | 81.4 Ų | 81.4 | 23% | 0.234 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.5 | -39.3 | 172.8 | -174.8 | -179.7 | -73.4 | -179.5 | -0.2 | 111.7 | L55 S475 N476 G493 E495 C500 Q501 | L55-R497 HydrophobicContact CD1-CB 4.2Å; S475-R497 PolarHBondContact OG-NH2 2.69Å; N476-R497 PolarHBondContact OD1-NH1 3.21Å; G493-R497 WeakPolarHBondContact O-CB 3.18Å; G493-R497 PolarHBondContact O-N 3.46Å; E495-R497 VanDerWaalsContact C-N 3.33Å; E495-R497 PolarHBondContact O-N 3.33Å; R497-C500 WeakPolarHBondContact O-CB 3.28Å; R497-Q501 WeakPolarHBondContact O-CB 3.24Å; R497-Q501 PolarHBondContact O-N 3.04Å |
| 498 | R | 71.6 | Confident | 64.6 | Low | 129 Ų | 129 | 82.1 Ų | 82.1 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 172.2 | -65.1 | 177.5 | -155 | 129.9 | 0.3 | 112 | I494 E495 W496 Q501 Y502 | I494-R498 WeakPolarHBondContact O-CG 3.33Å; I494-R498 PolarHBondContact O-N 3.12Å; E495-R498 WeakPolarHBondContact O-CB 3.12Å; E495-R498 PolarHBondContact O-N 3.05Å; E495-R498 VanDerWaalsContact O-N 3.12Å; E495-R498 IonicContact OE1-NH1 3.41Å; E495-R498 PolarHBondContact OE1-NH1 2.82Å; W496-R498 VanDerWaalsContact C-N 3.27Å; W496-R498 PolarHBondContact O-N 3Å; R498-Q501 WeakPolarHBondContact O-CA 3.43Å; R498-Q501 WeakPolarHBondContact O-CB 3.31Å; R498-Q501 PolarHBondContact O-N 3.39Å; R498-Y502 WeakPolarHBondContact O-CD2 3.38Å; R498-Y502 PolarHBondContact O-N 3.47Å; R498-Y502 VanDerWaalsContact O-N 3.13Å |
| 499 | K | 64.7 | Low | 61.9 | Low | 125 Ų | 125 | 77.2 Ų | 77.2 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 176 | -66.5 | -176 | -172.3 | -179.3 | 0 | 111.5 | E495 W496 Q501 Y502 | E495-K499 PolarHBondContact O-N 3.47Å; W496-K499 CarbonylContact O-C 3.58Å; W496-K499 WeakPolarHBondContact O-CA 3.08Å; W496-K499 WeakPolarHBondContact O-CB 3.36Å; W496-K499 PolarHBondContact O-N 3.03Å; K499-Q501 PolarHBondContact O-N 2.94Å; K499-Y502 PolarHBondContact O-N 3.28Å |
| 500 | C | 58.9 | Low | 59.2 | Low | 9 Ų | 9 | 81 Ų | 81 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -53 | -45.4 | 169.4 | -50.6 | 0 | 0 | 0 | 0 | 111 | G59 W496 R497 Y502 D503 I504 | G59-C500 PolarHBondContact O-SG 2.98Å; W496-C500 PolarHBondContact O-N 2.95Å; W496-C500 PolarHBondContact O-SG 3.3Å; R497-C500 WeakPolarHBondContact O-CB 3.28Å; C500-Y502 VanDerWaalsContact C-N 3.3Å; C500-Y502 PolarHBondContact O-N 3.28Å; C500-D503 PolarHBondContact O-N 2.94Å; C500-D503 VanDerWaalsContact O-N 3.15Å; C500-I504 HydrophobicContact CB-CD1 3.87Å; C500-I504 WeakPolarHBondContact O-CB 3.34Å; C500-I504 VanDerWaalsContact O-CD1 3.3Å; C500-I504 WeakPolarHBondContact O-CD1 3.31Å; C500-I504 WeakPolarHBondContact O-CG1 3.2Å; C500-I504 PolarHBondContact O-N 3.47Å; C500-I504 VanDerWaalsContact O-N 3.14Å |
| 501 | Q | 55.2 | Low | 56.3 | Low | 124 Ų | 124 | 79.5 Ų | 79.5 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -70.9 | -19.2 | -171.8 | -159.3 | 160.9 | 10.7 | 0 | 0 | 114.6 | R497 R498 K499 I504 | R497-Q501 WeakPolarHBondContact O-CB 3.24Å; R497-Q501 PolarHBondContact O-N 3.04Å; R498-Q501 WeakPolarHBondContact O-CA 3.43Å; R498-Q501 WeakPolarHBondContact O-CB 3.31Å; R498-Q501 PolarHBondContact O-N 3.39Å; K499-Q501 PolarHBondContact O-N 2.94Å; Q501-I504 CarbonylContact O-C 3.32Å; Q501-I504 PolarHBondContact O-N 3.35Å |
| 502 | Y | 45.4 | Very low | 53.6 | Low | 209 Ų | 209 | 85.5 Ų | 85.5 | 82% | 0.82 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -70.6 | -28.2 | 170.4 | -79.7 | -74.8 | 0 | 0 | 0 | 113.3 | R498 K499 C500 | R498-Y502 WeakPolarHBondContact O-CD2 3.38Å; R498-Y502 PolarHBondContact O-N 3.47Å; R498-Y502 VanDerWaalsContact O-N 3.13Å; K499-Y502 PolarHBondContact O-N 3.28Å; C500-Y502 VanDerWaalsContact C-N 3.3Å; C500-Y502 PolarHBondContact O-N 3.28Å |
| 503 | D | 46.3 | Very low | 51 | Low | 113 Ų | 113 | 91 Ų | 91 | 60% | 0.604 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -86.6 | -16.5 | 168.7 | -79.2 | -51.8 | 0 | 0 | 0 | 112.7 | C500 | C500-D503 PolarHBondContact O-N 2.94Å; C500-D503 VanDerWaalsContact O-N 3.15Å |
| 504 | I | 42.5 | Very low | 48.6 | Very low | 30 Ų | 30 | 99 Ų | 99 | 15% | 0.154 | 47% | 0.473 | C | S | . | . | trans | -113.9 | 78.7 | -167.5 | -60.2 | 167.6 | 0 | 0 | 0 | 110.6 | V78 M102 C500 Q501 V506 | V78-I504 HydrophobicContact CG1-CD1 4.19Å; M102-I504 HydrophobicContact CE-CD1 3.68Å; M102-I504 HydrophobicContact CE-CG1 3.62Å; M102-I504 HydrophobicContact SD-CD1 4.4Å; M102-I504 HydrophobicContact SD-CG1 3.73Å; C500-I504 HydrophobicContact CB-CD1 3.87Å; C500-I504 WeakPolarHBondContact O-CB 3.34Å; C500-I504 VanDerWaalsContact O-CD1 3.3Å; C500-I504 WeakPolarHBondContact O-CD1 3.31Å; C500-I504 WeakPolarHBondContact O-CG1 3.2Å; C500-I504 PolarHBondContact O-N 3.47Å; C500-I504 VanDerWaalsContact O-N 3.14Å; Q501-I504 CarbonylContact O-C 3.32Å; Q501-I504 PolarHBondContact O-N 3.35Å; I504-V506 HydrophobicContact CG2-CB 3.7Å; I504-V506 HydrophobicContact CG2-CG2 3.49Å; I504-V506 VanDerWaalsContact CG2-CG2 3.49Å; I504-V506 PolarHBondContact O-N 3.09Å | ||
| 505 | N | 32.8 | Very low | 45.9 | Very low | 112 Ų | 112 | 99 Ų | 99 | 60% | 0.599 | 48% | 0.479 | S | S | * | . | trans | -74.5 | 60.4 | 170.7 | -169.9 | 25.7 | 0 | 0 | 0 | 111.8 | N507 D508 | N505-N507 VanDerWaalsContact C-N 3.3Å; N505-N507 PolarHBondContact O-N 3.49Å; N505-D508 PolarHBondContact ND2-OD2 3.48Å; N505-D508 PolarHBondContact O-N 3.41Å | ||
| 506 | V | 38.2 | Very low | 43.2 | Very low | 50 Ų | 50 | 99.6 Ų | 99.6 | 30% | 0.303 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -75.8 | -12 | -168 | 125.4 | 0 | 0 | 0 | 0 | 114.7 | I504 D508 N509 L510 | I504-V506 HydrophobicContact CG2-CB 3.7Å; I504-V506 HydrophobicContact CG2-CG2 3.49Å; I504-V506 VanDerWaalsContact CG2-CG2 3.49Å; I504-V506 PolarHBondContact O-N 3.09Å; V506-D508 PolarHBondContact O-N 2.97Å; V506-N509 PolarHBondContact O-N 3.26Å; V506-L510 HydrophobicContact CG1-CD1 3.69Å; V506-L510 HydrophobicContact CG1-CG 4.03Å; V506-L510 PolarHBondContact O-N 3.49Å |
| 507 | N | 33.3 | Very low | 40.8 | Very low | 117 Ų | 117 | 109.2 Ų | 109.2 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.6 | -22.5 | 174.8 | -87.4 | -0.7 | 0 | 0 | 0 | 112.7 | N505 N511 | N505-N507 VanDerWaalsContact C-N 3.3Å; N505-N507 PolarHBondContact O-N 3.49Å; N507-N511 VanDerWaalsContact O-CB 3.28Å; N507-N511 WeakPolarHBondContact O-CB 3.4Å; N507-N511 VanDerWaalsContact O-CG 3.29Å; N507-N511 PolarHBondContact O-ND2 2.99Å |
| 508 | D | 38.4 | Very low | 38.4 | Very low | 96 Ų | 96 | 112.1 Ų | 112.1 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -80.5 | -52.1 | 173.9 | -60.8 | -30.8 | 0 | 0 | 0 | 110.2 | N505 V506 L510 N511 E512 | N505-D508 PolarHBondContact ND2-OD2 3.48Å; N505-D508 PolarHBondContact O-N 3.41Å; V506-D508 PolarHBondContact O-N 2.97Å; D508-L510 PolarHBondContact O-N 2.93Å; D508-N511 PolarHBondContact O-N 3.47Å; D508-N511 VanDerWaalsContact O-N 3.13Å; D508-E512 PolarHBondContact O-N 2.94Å |
| 509 | N | 33 | Very low | 36.1 | Very low | 82 Ų | 82 | 114.4 Ų | 114.4 | 44% | 0.439 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69 | -31.9 | -175.4 | -74.1 | -31.3 | 0 | 0 | 0 | 115 | V506 | V506-N509 PolarHBondContact O-N 3.26Å |
| 510 | L | 32.5 | Very low | 33.9 | Very low | 109 Ų | 109 | 114.8 Ų | 114.8 | 57% | 0.571 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -77.1 | -24.4 | 172.1 | -78.8 | -178.6 | 0 | 0 | 0 | 112.7 | V506 D508 | V506-L510 HydrophobicContact CG1-CD1 3.69Å; V506-L510 HydrophobicContact CG1-CG 4.03Å; V506-L510 PolarHBondContact O-N 3.49Å; D508-L510 PolarHBondContact O-N 2.93Å |
| 511 | N | 28.5 | Very low | 32.2 | Very low | 84 Ų | 84 | 117.7 Ų | 117.7 | 45% | 0.449 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -82.4 | -33.1 | 175.1 | -76.3 | -39.2 | 0 | 0 | 0 | 112.3 | N507 D508 I513 K514 S515 | N507-N511 VanDerWaalsContact O-CB 3.28Å; N507-N511 WeakPolarHBondContact O-CB 3.4Å; N507-N511 VanDerWaalsContact O-CG 3.29Å; N507-N511 PolarHBondContact O-ND2 2.99Å; D508-N511 PolarHBondContact O-N 3.47Å; D508-N511 VanDerWaalsContact O-N 3.13Å; N511-I513 PolarHBondContact O-N 3.06Å; N511-K514 CarbonylContact O-C 3.36Å; N511-K514 PolarHBondContact O-N 3.28Å; N511-S515 VanDerWaalsContact O-CB 3.24Å; N511-S515 WeakPolarHBondContact O-CB 3.48Å; N511-S515 PolarHBondContact O-N 3.45Å; N511-S515 PolarHBondContact O-OG 3.49Å |
| 512 | E | 30.7 | Very low | 30.6 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -56.8 | -38.3 | 172.4 | -79 | -154.2 | 135.1 | 0 | 0 | 112.6 | D508 K514 S516 | D508-E512 PolarHBondContact O-N 2.94Å; E512-K514 PolarHBondContact O-N 3.03Å; E512-S516 WeakPolarHBondContact O-CB 3.28Å; E512-S516 PolarHBondContact O-N 3.46Å; E512-S516 PolarHBondContact O-OG 3.21Å |
| 513 | I | 29.9 | Very low | 29.5 | Very low | 133 Ų | 133 | 114.4 Ų | 114.4 | 68% | 0.682 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66 | -24 | 177.7 | -63.2 | 174.5 | 0 | 0 | 0 | 112.2 | N511 | N511-I513 PolarHBondContact O-N 3.06Å |
| 514 | K | 29.3 | Very low | 28.3 | Very low | 168 Ų | 168 | 116.4 Ų | 116.4 | 73% | 0.73 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -105.6 | -27.3 | 179.3 | -70.6 | -164 | 171.4 | -165.9 | 0 | 114.9 | N511 E512 | N511-K514 CarbonylContact O-C 3.36Å; N511-K514 PolarHBondContact O-N 3.28Å; E512-K514 PolarHBondContact O-N 3.03Å |
| 515 | S | 25.6 | Very low | 27.3 | Very low | 69 Ų | 69 | 122.5 Ų | 122.5 | 48% | 0.483 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -91.8 | -13.8 | -174 | -61.8 | 0 | 0 | 0 | 0 | 113.4 | N511 R517 L518 | N511-S515 VanDerWaalsContact O-CB 3.24Å; N511-S515 WeakPolarHBondContact O-CB 3.48Å; N511-S515 PolarHBondContact O-N 3.45Å; N511-S515 PolarHBondContact O-OG 3.49Å; S515-R517 PolarHBondContact O-N 3.39Å; S515-L518 PolarHBondContact O-N 3.17Å |
| 516 | S | 23.6 | Very low | 26.8 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 70% | 0.699 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 15 | 175.4 | 62.3 | 0 | 0 | 0 | 0 | 115.6 | E512 | E512-S516 WeakPolarHBondContact O-CB 3.28Å; E512-S516 PolarHBondContact O-N 3.46Å; E512-S516 PolarHBondContact O-OG 3.21Å |
| 517 | R | 22.7 | Very low | 26 | Very low | 230 Ų | 230 | 129.1 Ų | 129.1 | 87% | 0.868 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | -8.4 | 171.6 | -70.3 | -164.3 | -176.1 | -171.8 | 5.4 | 115.7 | S515 | S515-R517 PolarHBondContact O-N 3.39Š|
| 518 | L | 23.3 | Very low | 25.4 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 64% | 0.644 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -137.6 | 142.4 | -171.7 | -72.1 | 175.5 | 0 | 0 | 0 | 113.7 | S515 | S515-L518 PolarHBondContact O-N 3.17Š|
| 519 | Y | 23.6 | Very low | 24.5 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 70% | 0.698 | 69% | 0.694 | S | S | * | * | trans | 71.8 | 74.6 | 173.7 | -60.4 | -70.3 | 0 | 0 | 0 | 118.4 | S521 | Y519-S521 WeakPolarHBondContact CD1-OG 3.34Å; Y519-S521 PolarHBondContact O-N 2.57Å | ||
| 520 | S | 19 | Very low | 24.1 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 93% | 0.93 | 71% | 0.709 | S | S | * | * | trans | -79.2 | 93.9 | 131.5 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 521 | S | 23 | Very low | 23.5 | Very low | 69 Ų | 69 | 133 Ų | 133 | 48% | 0.483 | 72% | 0.722 | S | S | . | * | trans | -169 | 74.1 | 161.3 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | Y519 S523 | Y519-S521 WeakPolarHBondContact CD1-OG 3.34Å; Y519-S521 PolarHBondContact O-N 2.57Å; S521-S523 PolarHBondContact O-N 2.69Å | ||
| 522 | N | 20.8 | Very low | 23.1 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 90% | 0.898 | 74% | 0.739 | S | S | * | * | trans | -73.4 | 89.3 | 168.5 | -83.1 | -9.3 | 0 | 0 | 0 | 110.1 | ||||
| 523 | S | 22.8 | Very low | 22.7 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | -93.9 | 121.7 | 161.3 | 48.5 | 0 | 0 | 0 | 0 | 109.3 | S521 L525 | S521-S523 PolarHBondContact O-N 2.69Å; S523-L525 PolarHBondContact O-N 3.27Å | ||
| 524 | N | 21.6 | Very low | 22.3 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -64.6 | 108.8 | -175 | -63.6 | -38.6 | 0 | 0 | 0 | 111.1 | ||||
| 525 | L | 21.5 | Very low | 22 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | -103.8 | 110.8 | 164.8 | -85.8 | 168.5 | 0 | 0 | 0 | 108.9 | S523 I527 | S523-L525 PolarHBondContact O-N 3.27Å; L525-I527 PolarHBondContact O-N 3.09Å | ||
| 526 | N | 21.7 | Very low | 22 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -57.8 | 118.7 | -174.2 | -62 | -35 | 0 | 0 | 0 | 111.5 | S528 | N526-S528 PolarHBondContact O-N 3.49Š| ||
| 527 | I | 20.7 | Very low | 22 | Very low | 150 Ų | 150 | 138 Ų | 138 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -73.8 | 96.6 | 164.5 | -55.2 | 179.7 | 0 | 0 | 0 | 107 | L525 T529 | L525-I527 PolarHBondContact O-N 3.09Å; I527-T529 HydrophobicContact CG2-CG2 3.75Å; I527-T529 PolarHBondContact O-N 3.41Å; I527-T529 VanDerWaalsContact O-N 3.07Å | ||
| 528 | S | 21.1 | Very low | 22.1 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -73.5 | 93.6 | 171.4 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | N526 D530 | N526-S528 PolarHBondContact O-N 3.49Å; S528-D530 PolarHBondContact O-N 3.44Å; S528-D530 VanDerWaalsContact O-N 3.08Å | ||
| 529 | T | 20.5 | Very low | 22.2 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | -82.2 | 58.1 | 176.7 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | I527 | I527-T529 HydrophobicContact CG2-CG2 3.75Å; I527-T529 PolarHBondContact O-N 3.41Å; I527-T529 VanDerWaalsContact O-N 3.07Å | ||
| 530 | D | 23 | Very low | 22.2 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -125.5 | 78.7 | -179.4 | -90.9 | -47.9 | 0 | 0 | 0 | 112.2 | S528 | S528-D530 PolarHBondContact O-N 3.44Å; S528-D530 VanDerWaalsContact O-N 3.08Å | ||
| 531 | C | 20 | Very low | 22.5 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -157.5 | 47.8 | 164.4 | -103.7 | 0 | 0 | 0 | 0 | 112.1 | P533 | C531-P533 WeakPolarHBondContact O-CD 3.46Š| ||
| 532 | I | 21.5 | Very low | 22.4 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -70.3 | 123 | 162.1 | -63.3 | 176.8 | 0 | 0 | 0 | 107.4 | T534 | I532-T534 PolarHBondContact O-N 3.47Š| ||
| 533 | P | 22.6 | Very low | 22.5 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | trans | -64.2 | 129.6 | 176.9 | -20.6 | 33.4 | 0 | 0 | 0 | 110.7 | C531 S535 | C531-P533 WeakPolarHBondContact O-CD 3.46Å; P533-S535 PolarHBondContact O-N 3.39Å | ||
| 534 | T | 21.5 | Very low | 22.3 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | -68.9 | 103.4 | -178.4 | 36.2 | 0 | 0 | 0 | 0 | 111.6 | I532 S536 | I532-T534 PolarHBondContact O-N 3.47Å; T534-S536 PolarHBondContact O-N 3.29Å | ||
| 535 | S | 21.9 | Very low | 22.3 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -70.5 | 109.7 | 176 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | P533 N537 | P533-S535 PolarHBondContact O-N 3.39Å; S535-N537 PolarHBondContact O-N 3.07Å | ||
| 536 | S | 25.4 | Very low | 22.4 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 21.7 | 98.2 | 146.7 | 57.9 | 0 | 0 | 0 | 0 | 117.9 | T534 | T534-S536 PolarHBondContact O-N 3.29Š| ||
| 537 | N | 23.4 | Very low | 22.5 | Very low | 170 Ų | 170 | 133 Ų | 133 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | -89.9 | 112.5 | 149.4 | -94.3 | -42.4 | 0 | 0 | 0 | 108.7 | S535 | S535-N537 PolarHBondContact O-N 3.07Š| ||
| 538 | L | 24.9 | Very low | 22.8 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -136.2 | 123.4 | 165 | -151.8 | 84.4 | 0 | 0 | 0 | 108 | ||||
| 539 | P | 25.1 | Very low | 23.3 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -77.3 | 150.2 | -173 | 30.1 | -35.2 | 0 | 0 | 0 | 113.2 | ||||
| 540 | I | 24.2 | Very low | 23.4 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 80% | 0.795 | 78% | 0.776 | S | S | * | * | trans | -72.1 | 139.9 | 174.3 | -61.2 | 156.3 | 0 | 0 | 0 | 109.6 | ||||
| 541 | P | 24.6 | Very low | 23.4 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | -126 | 153.5 | 126 | 1.6 | 19.5 | 0 | 0 | 0 | 113.9 | |||||
| 542 | Q | 21.8 | Very low | 23.6 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -71 | 171.4 | 168 | -56.1 | 168.3 | -15.7 | 0 | 0 | 109.9 | ||||
| 543 | S | 22.3 | Very low | 23.7 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | cis | -152.1 | 166 | 10.9 | 26.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 544 | S | 19.6 | Very low | 23.7 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | trans | -60.6 | 148.9 | 163.5 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 545 | Y | 21.9 | Very low | 23.7 | Very low | 219 Ų | 219 | 128.7 Ų | 128.7 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | -160.4 | 152.3 | 120.9 | -96.4 | -62.9 | 0 | 0 | 0 | 112.9 | |||||
| 546 | S | 22.8 | Very low | 23.8 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -31.7 | 160.4 | 162.9 | 41.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 547 | S | 24.4 | Very low | 23.7 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | cis | -164.7 | 167.9 | 8.3 | 29.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 548 | S | 26 | Very low | 23.7 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | -76.8 | -178.4 | 164.3 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 549 | P | 32.1 | Very low | 23.6 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | cis | -143.4 | -163.5 | 10 | 44.5 | -24.2 | 0 | 0 | 0 | 116.7 | ||||
| 550 | A | 23.1 | Very low | 23.4 | Very low | 79 Ų | 79 | 126.9 Ų | 126.9 | 65% | 0.653 | 74% | 0.74 | S | S | * | * | trans | 72.4 | 127.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 551 | L | 22.1 | Very low | 23.3 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | 78.6 | 131.7 | 58 | -69.7 | 162.2 | 0 | 0 | 0 | 112.8 | |||||
| 552 | V | 24.2 | Very low | 23.1 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | cis | -164.1 | 166.5 | -7 | 79.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 553 | T | 23.8 | Very low | 23 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 68% | 0.681 | 73% | 0.731 | S | S | * | * | trans | 18 | 131 | 168.6 | 53.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 554 | D | 23.4 | Very low | 22.9 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | -164.7 | 124.4 | 103.4 | -99.7 | -6.6 | 0 | 0 | 0 | 110.3 | |||||
| 555 | L | 20.9 | Very low | 23 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | 77.4 | 101.1 | 86.8 | -77.4 | -177.4 | 0 | 0 | 0 | 116 | |||||
| 556 | T | 23.5 | Very low | 23 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | trans | 49.9 | 121.7 | 145.2 | 56.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 557 | S | 22.8 | Very low | 23.4 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | 169.5 | 164.2 | 87.9 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 558 | H | 23.8 | Very low | 23.3 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 65 | 128.9 | 162.7 | -66.9 | -62.5 | 0 | 0 | 0 | 118.4 | ||||
| 559 | L | 23.1 | Very low | 23.1 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | 63.7 | 140.8 | 102.1 | -58.5 | 174.6 | 0 | 0 | 0 | 114 | |||||
| 560 | S | 21.2 | Very low | 22.6 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | cis | -165 | 125.3 | -3.8 | 39 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 561 | E | 21.7 | Very low | 22.7 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | 83.7 | 165.7 | 106.6 | -152.2 | 176.8 | -125.9 | 0 | 0 | 113.2 | |||||
| 562 | Y | 19.6 | Very low | 22.8 | Very low | 177 Ų | 177 | 139 Ų | 139 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | trans | 64.6 | 102.4 | 173.3 | -76.9 | -87.3 | 0 | 0 | 0 | 121.5 | ||||
| 563 | Q | 19.7 | Very low | 22.8 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | 89.4 | 146 | 122.1 | -90.1 | 179.6 | -12.5 | 0 | 0 | 124.7 | |||||
| 564 | T | 21.5 | Very low | 22.8 | Very low | 115 Ų | 115 | 145 Ų | 145 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 71.7 | 96.3 | 147.9 | 44.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 565 | S | 21 | Very low | 22.9 | Very low | 99 Ų | 99 | 150.2 Ų | 150.2 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | 77.9 | 137.4 | 115.5 | 71.6 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 566 | H | 22.9 | Very low | 23.1 | Very low | 177 Ų | 177 | 151 Ų | 151 | 82% | 0.819 | 75% | 0.751 | S | S | * | * | trans | 71.8 | 165.8 | 151.2 | -94.5 | -73.1 | 0 | 0 | 0 | 116.5 | ||||
| 567 | P | 30 | Very low | 23 | Very low | 98 Ų | 98 | 156.1 Ų | 156.1 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | -132.4 | -175.7 | -85.9 | 40.6 | -23 | 0 | 0 | 0 | 115.7 | |||||
| 568 | L | 22 | Very low | 23.2 | Very low | 147 Ų | 147 | 155.8 Ų | 155.8 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 100.6 | 114.5 | 155.5 | -64.9 | 163 | 0 | 0 | 0 | 119.8 | ||||
| 569 | I | 22.3 | Very low | 23.1 | Very low | 144 Ų | 144 | 158 Ų | 158 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 78.1 | 86.2 | 140.8 | -58 | 169.7 | 0 | 0 | 0 | 117.7 | ||||
| 570 | H | 22.2 | Very low | 23.2 | Very low | 156 Ų | 156 | 158.5 Ų | 158.5 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | 36.7 | 128.3 | 110.3 | -87.4 | -88.5 | 0 | 0 | 0 | 120.7 | |||||
| 571 | D | 24.1 | Very low | 23.3 | Very low | 121 Ų | 121 | 162.1 Ų | 162.1 | 65% | 0.647 | 77% | 0.769 | S | S | * | * | trans | 49.4 | 119.5 | 132.6 | -61 | -27.7 | 0 | 0 | 0 | 120.6 | ||||
| 572 | R | 24.7 | Very low | 23.2 | Very low | 238 Ų | 238 | 162.9 Ų | 162.9 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | S | Bend | -153.2 | 162.8 | 91.4 | -92.8 | 140 | -159.2 | -133.7 | 4.5 | 111.9 | |||
| 573 | L | 24 | Very low | 23.3 | Very low | 171 Ų | 171 | 161.8 Ų | 161.8 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | 73.5 | 40.9 | 168.5 | -49 | -172.2 | 0 | 0 | 0 | 118.9 | ||||
| 574 | K | 23.7 | Very low | 23.5 | Very low | 184 Ų | 184 | 160.2 Ų | 160.2 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -101.6 | 109.9 | 130.6 | -87.7 | -174.4 | 179.4 | 175.2 | 0 | 109.6 | ||||
| 575 | R | 25.5 | Very low | 23.3 | Very low | 247 Ų | 247 | 165 Ų | 165 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | trans | -128.1 | 95.5 | 152.9 | -111.8 | -167.9 | -86.7 | -159.2 | -3.3 | 107.9 | ||||
| 576 | Q | 25.8 | Very low | 23.5 | Very low | 152 Ų | 152 | 165.2 Ų | 165.2 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | trans | -72.2 | 132.3 | 178.4 | -63.9 | 158.3 | -83.6 | 0 | 0 | 109.3 | ||||
| 577 | Y | 21.2 | Very low | 23.4 | Very low | 233 Ų | 233 | 164.5 Ų | 164.5 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -91.2 | 110.7 | 145.1 | -86.7 | -80.6 | 0 | 0 | 0 | 106.6 | ||||
| 578 | P | 26.9 | Very low | 23.1 | Very low | 87 Ų | 87 | 167.2 Ų | 167.2 | 57% | 0.565 | 80% | 0.797 | S | S | * | * | trans | -75.8 | 133.8 | -174 | 29.8 | -34 | 0 | 0 | 0 | 111 | Q580 | P578-Q580 VanDerWaalsContact C-N 3.34Å; P578-Q580 HydrophobicContact CB-CG 4.33Å; P578-Q580 HydrophobicContact CG-CG 4.44Å; P578-Q580 PolarHBondContact O-N 3.21Å | ||
| 579 | Q | 22 | Very low | 23.2 | Very low | 202 Ų | 202 | 168.7 Ų | 168.7 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | -66.9 | 96.8 | 156.3 | -70.6 | -179 | -10.1 | 0 | 0 | 107.9 | ||||
| 580 | Q | 24.2 | Very low | 23.4 | Very low | 162 Ų | 162 | 167.8 Ų | 167.8 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | trans | -93 | 125.2 | 163.6 | -73.6 | -169.2 | -16.4 | 0 | 0 | 108.9 | P578 L582 | P578-Q580 VanDerWaalsContact C-N 3.34Å; P578-Q580 HydrophobicContact CB-CG 4.33Å; P578-Q580 HydrophobicContact CG-CG 4.44Å; P578-Q580 PolarHBondContact O-N 3.21Å; Q580-L582 PolarHBondContact O-N 3.03Å | ||
| 581 | Q | 23.3 | Very low | 23.4 | Very low | 169 Ų | 169 | 165.5 Ų | 165.5 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -61.6 | 134.2 | 177.3 | -67.2 | 168.6 | -21.6 | 0 | 0 | 109.5 | Q583 | Q581-Q583 VanDerWaalsContact C-N 3.29Å; Q581-Q583 PolarHBondContact O-N 3.38Å | ||
| 582 | L | 20.7 | Very low | 23.5 | Very low | 182 Ų | 182 | 166 Ų | 166 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | trans | -69.8 | 83.9 | 175.3 | -74.2 | 164 | 0 | 0 | 0 | 110.3 | Q580 | Q580-L582 PolarHBondContact O-N 3.03Š| ||
| 583 | Q | 21.9 | Very low | 23.7 | Very low | 154 Ų | 154 | 162 Ų | 162 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 142.4 | 160.1 | -67.1 | -155.1 | -3.4 | 0 | 0 | 110.1 | Q581 Y585 | Q581-Q583 VanDerWaalsContact C-N 3.29Å; Q581-Q583 PolarHBondContact O-N 3.38Å; Q583-Y585 PolarHBondContact O-N 3.26Å |
| 584 | P | 22.7 | Very low | 23.8 | Very low | 127 Ų | 127 | 158.5 Ų | 158.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 123.1 | -167.7 | -14.4 | 30.8 | 0 | 0 | 0 | 111.8 | ||
| 585 | Y | 18.9 | Very low | 24 | Very low | 216 Ų | 216 | 155.6 Ų | 155.6 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 131.1 | 166.1 | -83.2 | -86.9 | 0 | 0 | 0 | 109.8 | Q583 | Q583-Y585 PolarHBondContact O-N 3.26Š|
| 586 | P | 25.1 | Very low | 24.4 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 150.5 | -178 | 28 | -35.1 | 0 | 0 | 0 | 111.8 | I588 | P586-I588 PolarHBondContact O-N 3.3Š|
| 587 | L | 21.2 | Very low | 24.9 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -62 | 98.3 | 176.9 | -85.8 | 71.5 | 0 | 0 | 0 | 111.2 | K589 | L587-K589 PolarHBondContact O-N 3.07Š| ||
| 588 | I | 23.3 | Very low | 25.3 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | -70.3 | 96.4 | 163.9 | -59.2 | 178.8 | 0 | 0 | 0 | 107.3 | P586 P590 | P586-I588 PolarHBondContact O-N 3.3Å; I588-P590 WeakPolarHBondContact O-CD 3.11Å | ||
| 589 | K | 24.3 | Very low | 25.7 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 124.8 | 173.7 | -65.8 | -180 | -179.5 | 178 | 0 | 108.9 | L587 S591 | L587-K589 PolarHBondContact O-N 3.07Å; K589-S591 PolarHBondContact O-N 3.35Å |
| 590 | P | 25.4 | Very low | 26.6 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 127.8 | 178.6 | -26.4 | 35.2 | 0 | 0 | 0 | 111.3 | I588 | I588-P590 WeakPolarHBondContact O-CD 3.11Š|
| 591 | S | 23.1 | Very low | 27.1 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 135.2 | -179.4 | 49.1 | 0 | 0 | 0 | 0 | 111.3 | K589 N593 | K589-S591 PolarHBondContact O-N 3.35Å; S591-N593 PolarHBondContact O-N 3.41Å |
| 592 | T | 25.3 | Very low | 28 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 80% | 0.798 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -74.6 | 84.1 | -173.8 | 49.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 593 | N | 29.2 | Very low | 29.2 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 83% | 0.829 | 69% | 0.687 | S | S | * | * | trans | -151.4 | 17.3 | 176 | -107.7 | -22 | 0 | 0 | 0 | 117.2 | S591 | S591-N593 PolarHBondContact O-N 3.41Š| ||
| 594 | S | 25.9 | Very low | 30 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | trans | -111.2 | 0.7 | 178.5 | 57 | 0 | 0 | 0 | 0 | 115.4 | T596 | S594-T596 VanDerWaalsContact C-N 3.27Å; S594-T596 PolarHBondContact O-N 3.21Å | ||
| 595 | L | 27.5 | Very low | 30.8 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 64% | 0.644 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -11.1 | -172.4 | -95.4 | 160.4 | 0 | 0 | 0 | 115.6 | ||
| 596 | T | 35.5 | Very low | 31.8 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 69% | 0.687 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.2 | -39.5 | -176.8 | 44 | 0 | 0 | 0 | 0 | 113.4 | S594 I598 Q599 D600 | S594-T596 VanDerWaalsContact C-N 3.27Å; S594-T596 PolarHBondContact O-N 3.21Å; T596-I598 PolarHBondContact O-N 3.29Å; T596-Q599 PolarHBondContact O-N 3.22Å; T596-D600 PolarHBondContact O-N 3.43Å |
| 597 | N | 34.8 | Very low | 32.8 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 60% | 0.599 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.1 | -34.6 | -171.9 | -158.7 | -13.4 | 0 | 0 | 0 | 112.9 | Q599 D600 L601 | N597-Q599 VanDerWaalsContact C-N 3.31Å; N597-Q599 PolarHBondContact O-N 2.69Å; N597-D600 PolarHBondContact O-N 3.4Å; N597-L601 PolarHBondContact O-N 3.1Å; N597-L601 VanDerWaalsContact O-N 3.07Å |
| 598 | I | 30.8 | Very low | 33.9 | Very low | 105 Ų | 105 | 126 Ų | 126 | 54% | 0.538 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.3 | -31 | 177.7 | -62 | 177.2 | 0 | 0 | 0 | 111.7 | T596 K602 | T596-I598 PolarHBondContact O-N 3.29Å; I598-K602 WeakPolarHBondContact O-CG 3.24Å; I598-K602 PolarHBondContact O-N 2.98Å |
| 599 | Q | 35.7 | Very low | 34.6 | Very low | 137 Ų | 137 | 126 Ų | 126 | 64% | 0.64 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.1 | -42.4 | 175.8 | -61.7 | -162.1 | 14.4 | 0 | 0 | 111.3 | T596 N597 L601 K602 Q603 | T596-Q599 PolarHBondContact O-N 3.22Å; N597-Q599 VanDerWaalsContact C-N 3.31Å; N597-Q599 PolarHBondContact O-N 2.69Å; Q599-L601 VanDerWaalsContact C-N 3.33Å; Q599-L601 PolarHBondContact O-N 3.49Å; Q599-K602 CarbonylContact O-C 3.44Å; Q599-K602 PolarHBondContact O-N 3.38Å; Q599-K602 VanDerWaalsContact O-N 3.16Å; Q599-Q603 WeakPolarHBondContact O-CB 3.44Å; Q599-Q603 PolarHBondContact O-N 2.89Å |
| 600 | D | 40.7 | Very low | 35.2 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 37% | 0.374 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.4 | -40 | 178.6 | -152.6 | 36 | 0 | 0 | 0 | 111.4 | T596 N597 K602 Q603 R604 | T596-D600 PolarHBondContact O-N 3.43Å; N597-D600 PolarHBondContact O-N 3.4Å; D600-K602 PolarHBondContact O-N 3.06Å; D600-Q603 PolarHBondContact O-N 2.84Å; D600-Q603 VanDerWaalsContact O-N 3.09Å; D600-R604 WeakPolarHBondContact O-CG 3.46Å; D600-R604 PolarHBondContact O-N 2.76Å; D600-R604 IonicContact OD2-CZ 3.67Å; D600-R604 IonicContact OD2-NE 3.5Å; D600-R604 IonicContact OD2-NH2 2.89Å; D600-R604 PolarHBondContact OD2-NH2 3.35Å |
| 601 | L | 34.6 | Very low | 35.9 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 56% | 0.555 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.3 | -45.4 | 173.1 | -143.3 | 80.7 | 0 | 0 | 0 | 112.2 | N597 Q599 Q603 R604 Q605 | N597-L601 PolarHBondContact O-N 3.1Å; N597-L601 VanDerWaalsContact O-N 3.07Å; Q599-L601 VanDerWaalsContact C-N 3.33Å; Q599-L601 PolarHBondContact O-N 3.49Å; L601-Q603 PolarHBondContact O-N 3.04Å; L601-R604 PolarHBondContact O-N 3.21Å; L601-Q605 PolarHBondContact O-N 2.81Å; L601-Q605 VanDerWaalsContact O-N 3.11Å |
| 602 | K | 42.3 | Very low | 36.4 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 54% | 0.543 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.2 | -13.2 | 175.4 | -72.8 | -176.6 | 177.4 | -177 | 0 | 113.6 | I598 Q599 D600 R606 | I598-K602 WeakPolarHBondContact O-CG 3.24Å; I598-K602 PolarHBondContact O-N 2.98Å; Q599-K602 CarbonylContact O-C 3.44Å; Q599-K602 PolarHBondContact O-N 3.38Å; Q599-K602 VanDerWaalsContact O-N 3.16Å; D600-K602 PolarHBondContact O-N 3.06Å; K602-R606 PolarHBondContact O-NE 3.43Å |
| 603 | Q | 44.9 | Very low | 36.7 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 49% | 0.491 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -89.7 | -41.2 | 174.3 | -163.4 | 158.7 | -3.3 | 0 | 0 | 110.8 | Q599 D600 L601 R606 Q607 | Q599-Q603 WeakPolarHBondContact O-CB 3.44Å; Q599-Q603 PolarHBondContact O-N 2.89Å; D600-Q603 PolarHBondContact O-N 2.84Å; D600-Q603 VanDerWaalsContact O-N 3.09Å; L601-Q603 PolarHBondContact O-N 3.04Å; Q603-R606 PolarHBondContact O-N 3.18Å; Q603-Q607 PolarHBondContact O-N 3.31Å |
| 604 | R | 38.3 | Very low | 37.3 | Very low | 155 Ų | 155 | 118 Ų | 118 | 59% | 0.585 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.9 | -44.9 | 171.8 | -69 | -179.9 | -169.4 | -155.5 | 4 | 112.6 | D600 L601 R606 Q607 Q608 | D600-R604 WeakPolarHBondContact O-CG 3.46Å; D600-R604 PolarHBondContact O-N 2.76Å; D600-R604 IonicContact OD2-CZ 3.67Å; D600-R604 IonicContact OD2-NE 3.5Å; D600-R604 IonicContact OD2-NH2 2.89Å; D600-R604 PolarHBondContact OD2-NH2 3.35Å; L601-R604 PolarHBondContact O-N 3.21Å; R604-R606 VanDerWaalsContact C-N 3.31Å; R604-R606 PolarHBondContact O-N 2.87Å; R604-Q607 PolarHBondContact O-N 2.86Å; R604-Q608 PolarHBondContact O-N 2.73Å |
| 605 | Q | 40.9 | Very low | 37.7 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 53% | 0.528 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.3 | -40.2 | 174.8 | -76 | -176.7 | -19.6 | 0 | 0 | 112.5 | L601 Q608 Q609 | L601-Q605 PolarHBondContact O-N 2.81Å; L601-Q605 VanDerWaalsContact O-N 3.11Å; Q605-Q608 PolarHBondContact O-N 3.07Å; Q605-Q609 PolarHBondContact O-N 2.97Å |
| 606 | R | 38.5 | Very low | 37.7 | Very low | 164 Ų | 164 | 125.2 Ų | 125.2 | 62% | 0.619 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.4 | -33.5 | 177.5 | -79 | -176.6 | -77.6 | -177.6 | 1 | 113.1 | K602 Q603 R604 Q610 | K602-R606 PolarHBondContact O-NE 3.43Å; Q603-R606 PolarHBondContact O-N 3.18Å; R604-R606 VanDerWaalsContact C-N 3.31Å; R604-R606 PolarHBondContact O-N 2.87Å; R606-Q610 PolarHBondContact O-N 2.77Å |
| 607 | Q | 47.3 | Very low | 37.5 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 62% | 0.617 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.7 | -40.7 | 172.5 | -72.5 | -178.1 | -2 | 0 | 0 | 112.2 | Q603 R604 Q609 Q610 G611 | Q603-Q607 PolarHBondContact O-N 3.31Å; R604-Q607 PolarHBondContact O-N 2.86Å; Q607-Q609 PolarHBondContact O-N 3.2Å; Q607-Q610 PolarHBondContact O-N 3.4Å; Q607-G611 PolarHBondContact O-N 2.91Å |
| 608 | Q | 43.8 | Very low | 37.4 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.7 | -42.9 | 176.1 | -75.1 | -179 | -18.5 | 0 | 0 | 112.3 | R604 Q605 Q610 G611 | R604-Q608 PolarHBondContact O-N 2.73Å; Q605-Q608 PolarHBondContact O-N 3.07Å; Q608-Q610 VanDerWaalsContact C-N 3.32Å; Q608-Q610 PolarHBondContact O-N 3.28Å; Q608-G611 PolarHBondContact O-N 2.89Å; Q608-G611 VanDerWaalsContact O-N 3.15Å |
| 609 | Q | 38.4 | Very low | 37.3 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 72% | 0.724 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.8 | -33.5 | 177.4 | -71.5 | -174.7 | -0.4 | 0 | 0 | 113.4 | Q605 Q607 | Q605-Q609 PolarHBondContact O-N 2.97Å; Q607-Q609 PolarHBondContact O-N 3.2Å |
| 610 | Q | 37.2 | Very low | 36.8 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 70% | 0.696 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.2 | -28.2 | 175.2 | -68.7 | -166.9 | -2.5 | 0 | 0 | 113.3 | R606 Q607 Q608 H612 | R606-Q610 PolarHBondContact O-N 2.77Å; Q607-Q610 PolarHBondContact O-N 3.4Å; Q608-Q610 VanDerWaalsContact C-N 3.32Å; Q608-Q610 PolarHBondContact O-N 3.28Å; Q610-H612 PolarHBondContact O-N 3.33Å |
| 611 | G | 38.2 | Very low | 36.1 | Very low | 38 Ų | 38 | 143.8 Ų | 143.8 | 39% | 0.392 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -61.8 | -37.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q607 Q608 K615 | Q607-G611 PolarHBondContact O-N 2.91Å; Q608-G611 PolarHBondContact O-N 2.89Å; Q608-G611 VanDerWaalsContact O-N 3.15Å; G611-K615 PolarHBondContact O-N 3.49Å |
| 612 | H | 33.9 | Very low | 35.7 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 67% | 0.671 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.6 | -31.9 | -177.1 | -78.9 | -91.2 | 0 | 0 | 0 | 113.7 | Q610 K615 R616 | Q610-H612 PolarHBondContact O-N 3.33Å; H612-K615 PolarHBondContact O-N 2.96Å; H612-R616 PolarHBondContact O-N 2.99Å; H612-R616 VanDerWaalsContact O-N 3.09Å |
| 613 | S | 32.4 | Very low | 34.8 | Very low | 71 Ų | 71 | 150.5 Ų | 150.5 | 50% | 0.497 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -63.1 | -44.2 | 177.3 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | R616 R617 | S613-R616 PolarHBondContact O-N 2.84Å; S613-R617 WeakPolarHBondContact O-CB 3.48Å; S613-R617 PolarHBondContact O-N 2.73Å |
| 614 | Q | 40.9 | Very low | 33.7 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 59% | 0.589 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -61.2 | -45 | 176.3 | -80.3 | -80.2 | -7.8 | 0 | 0 | 112.5 | R617 K618 | Q614-R617 PolarHBondContact O-N 2.7Å; Q614-K618 PolarHBondContact O-N 3.44Å |
| 615 | K | 34.2 | Very low | 33 | Very low | 165 Ų | 165 | 150 Ų | 150 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -64.4 | -45.7 | 178.7 | -77.1 | -172.6 | 174.8 | -178.1 | 0 | 112.1 | G611 H612 R617 K618 F619 | G611-K615 PolarHBondContact O-N 3.49Å; H612-K615 PolarHBondContact O-N 2.96Å; K615-R617 PolarHBondContact O-N 3.13Å; K615-K618 PolarHBondContact O-N 3.37Å; K615-F619 PolarHBondContact O-N 3.17Å |
| 616 | R | 28.8 | Very low | 32.2 | Very low | 206 Ų | 206 | 156.2 Ų | 156.2 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -64.3 | -38.5 | 178.9 | -154.9 | 175.5 | -170.5 | -173.3 | 3.8 | 112 | H612 S613 F620 | H612-R616 PolarHBondContact O-N 2.99Å; H612-R616 VanDerWaalsContact O-N 3.09Å; S613-R616 PolarHBondContact O-N 2.84Å; R616-F620 PolarHBondContact O-N 2.82Å |
| 617 | R | 31 | Very low | 31.5 | Very low | 201 Ų | 201 | 155.2 Ų | 155.2 | 76% | 0.758 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -70.4 | -27.3 | 175.9 | -91.3 | -175.8 | 154.1 | 171.1 | -5.2 | 114.9 | S613 Q614 K615 | S613-R617 WeakPolarHBondContact O-CB 3.48Å; S613-R617 PolarHBondContact O-N 2.73Å; Q614-R617 PolarHBondContact O-N 2.7Å; K615-R617 PolarHBondContact O-N 3.13Å |
| 618 | K | 32 | Very low | 30.4 | Very low | 160 Ų | 160 | 153.3 Ų | 153.3 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -79.5 | -32.3 | 174.9 | -76.3 | -168.6 | 177.7 | -174.8 | 0 | 113.5 | Q614 K615 | Q614-K618 PolarHBondContact O-N 3.44Å; K615-K618 PolarHBondContact O-N 3.37Å |
| 619 | F | 28.5 | Very low | 29.5 | Very low | 175 Ų | 175 | 152.9 Ų | 152.9 | 77% | 0.768 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -71.5 | -45.3 | 179 | -146.2 | -92.6 | 0 | 0 | 0 | 112.1 | K615 R621 K622 | K615-F619 PolarHBondContact O-N 3.17Å; F619-R621 PolarHBondContact O-N 2.76Å; F619-R621 VanDerWaalsContact O-N 3.16Å; F619-K622 PolarHBondContact O-N 2.82Å |
| 620 | F | 25.5 | Very low | 28.8 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 69% | 0.693 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -69.2 | -13.2 | -177.2 | -121.9 | -87.6 | 0 | 0 | 0 | 114.9 | R616 | R616-F620 PolarHBondContact O-N 2.82Š|
| 621 | R | 26.8 | Very low | 28.2 | Very low | 231 Ų | 231 | 152.3 Ų | 152.3 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -91.9 | 9 | -177.3 | -133.7 | 178.7 | -165.8 | 178.7 | 3.6 | 114.5 | F619 | F619-R621 PolarHBondContact O-N 2.76Å; F619-R621 VanDerWaalsContact O-N 3.16Å |
| 622 | K | 25.2 | Very low | 27.5 | Very low | 183 Ų | 183 | 155.3 Ų | 155.3 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -120.3 | 11.3 | -177.9 | -140.3 | -173.2 | -176.9 | -170.8 | 0 | 114.9 | F619 | F619-K622 PolarHBondContact O-N 2.82Š|
| 623 | F | 24 | Very low | 26.9 | Very low | 189 Ų | 189 | 156 Ų | 156 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -126.2 | 7.9 | -175.4 | -130.3 | -85.7 | 0 | 0 | 0 | 114.8 | ||
| 624 | L | 21.8 | Very low | 26.7 | Very low | 150 Ų | 150 | 160.3 Ų | 160.3 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -129.9 | 56.9 | -178.3 | -68 | 176.9 | 0 | 0 | 0 | 111.3 | ||
| 625 | S | 23.2 | Very low | 25.8 | Very low | 100 Ų | 100 | 165.3 Ų | 165.3 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -163.5 | 68.2 | 173.3 | 60.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 626 | R | 23.7 | Very low | 25.5 | Very low | 244 Ų | 244 | 164.3 Ų | 164.3 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -155.7 | 98.8 | 158.4 | -136 | 170.4 | 179 | 162.9 | -2.1 | 112.3 | ||||
| 627 | D | 25.1 | Very low | 25.4 | Very low | 142 Ų | 142 | 162 Ų | 162 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -35.8 | 163.3 | 149.5 | -35.5 | -75.2 | 0 | 0 | 0 | 112.6 | ||||
| 628 | S | 23 | Very low | 24.9 | Very low | 93 Ų | 93 | 161.3 Ų | 161.3 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | cis | 179.9 | 177 | -19.4 | 57.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 629 | T | 25.3 | Very low | 24.7 | Very low | 130 Ų | 130 | 159.2 Ų | 159.2 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | 67.4 | 126.2 | 171.4 | 67.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 630 | P | 23.3 | Very low | 24.7 | Very low | 122 Ų | 122 | 156 Ų | 156 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -96.4 | 165.3 | 166.8 | 38.5 | -33 | 0 | 0 | 0 | 111.7 | ||||
| 631 | N | 25.5 | Very low | 24.5 | Very low | 170 Ų | 170 | 156.3 Ų | 156.3 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -159.5 | 157.5 | 166.3 | -119.7 | -28.4 | 0 | 0 | 0 | 113.2 | ||||
| 632 | S | 23.6 | Very low | 24.4 | Very low | 100 Ų | 100 | 151.4 Ų | 151.4 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | 65.2 | 114.7 | 174.2 | -158.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 633 | M | 20.1 | Very low | 24.2 | Very low | 160 Ų | 160 | 149.4 Ų | 149.4 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | -16.2 | 144.7 | 142.6 | -67.9 | 83.1 | 78.5 | 0 | 0 | 116 | ||||
| 634 | D | 28.6 | Very low | 24.1 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | -142.2 | 163.6 | 67.8 | -98.6 | -35.7 | 0 | 0 | 0 | 118.7 | |||||
| 635 | R | 22.8 | Very low | 24.2 | Very low | 231 Ų | 231 | 149 Ų | 149 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -133.5 | 122.8 | 171.5 | -84.7 | 179.8 | 167.8 | 176.1 | -5.3 | 109.9 | ||||
| 636 | V | 27.7 | Very low | 24.1 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | trans | -144.5 | 141 | 151.5 | -176 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 637 | D | 25.9 | Very low | 24 | Very low | 157 Ų | 157 | 148.7 Ų | 148.7 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -84.7 | 176.4 | -169.2 | -62.1 | -78.9 | 0 | 0 | 0 | 115.3 | ||||
| 638 | E | 21.9 | Very low | 23.8 | Very low | 188 Ų | 188 | 146 Ų | 146 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -88.6 | 136.6 | -166.4 | -48.9 | 178.4 | 120.5 | 0 | 0 | 115.5 | ||||
| 639 | S | 27.7 | Very low | 23.8 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | 60.2 | -175.8 | 141.7 | -111.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 640 | P | 29 | Very low | 23.6 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 69% | 0.688 | 81% | 0.814 | S | S | * | * | cis | -127.9 | 144.4 | -24.5 | 33.2 | -17.8 | 0 | 0 | 0 | 113.7 | ||||
| 641 | M | 20.6 | Very low | 23.7 | Very low | 166 Ų | 166 | 152.4 Ų | 152.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -153 | 114.5 | 145.5 | -78.2 | -52.1 | -81.9 | 0 | 0 | 107 | ||||
| 642 | D | 24.6 | Very low | 23.6 | Very low | 128 Ų | 128 | 149.7 Ų | 149.7 | 68% | 0.684 | 81% | 0.81 | S | S | * | * | 98.7 | 105.8 | 76.7 | -143.3 | 22.3 | 0 | 0 | 0 | 110 | |||||
| 643 | V | 20.9 | Very low | 23.6 | Very low | 141 Ų | 141 | 151 Ų | 151 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -128.7 | 100.6 | -177.8 | 175.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 644 | F | 21.2 | Very low | 23.7 | Very low | 173 Ų | 173 | 154.1 Ų | 154.1 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | trans | -108.6 | 145.7 | 172.1 | -128 | -83.1 | 0 | 0 | 0 | 111.9 | ||||
| 645 | E | 24.6 | Very low | 23.2 | Very low | 157 Ų | 157 | 153.7 Ų | 153.7 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -49.7 | 142.2 | -168.3 | -55.3 | 169 | 139.8 | 0 | 0 | 115.5 | ||||
| 646 | C | 20.2 | Very low | 23.3 | Very low | 134 Ų | 134 | 151.6 Ų | 151.6 | 91% | 0.905 | 82% | 0.815 | S | S | * | * | trans | -149.6 | 108.1 | 136.7 | -126.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 647 | F | 21.6 | Very low | 23 | Very low | 204 Ų | 204 | 152.4 Ų | 152.4 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -74 | 164.8 | 165.4 | -102.8 | -95.5 | 0 | 0 | 0 | 110.2 | ||||
| 648 | A | 21.1 | Very low | 22.8 | Very low | 86 Ų | 86 | 150 Ų | 150 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 66.5 | 105 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 649 | N | 22.9 | Very low | 22.8 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | -154.3 | 135.6 | 106 | -110.1 | -46.5 | 0 | 0 | 0 | 112.9 | N651 | N649-N651 PolarHBondContact O-N 3.24Š| |||
| 650 | L | 22 | Very low | 22.6 | Very low | 175 Ų | 175 | 150.5 Ų | 150.5 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -86.4 | 99.3 | 170.3 | -89.1 | 166.3 | 0 | 0 | 0 | 108.9 | S652 | L650-S652 PolarHBondContact O-N 2.94Š| ||
| 651 | N | 25.8 | Very low | 22.6 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -75.6 | 107.2 | -178.9 | -92.5 | -30.7 | 0 | 0 | 0 | 112.9 | N649 | N649-N651 PolarHBondContact O-N 3.24Š| ||
| 652 | S | 22.4 | Very low | 22.7 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -168.7 | 123.7 | 151.3 | -84.7 | 0 | 0 | 0 | 0 | 108.9 | L650 | L650-S652 PolarHBondContact O-N 2.94Š| ||
| 653 | P | 24.1 | Very low | 22.7 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -138.4 | 161.3 | 61 | 37.5 | -21.4 | 0 | 0 | 0 | 117.3 | |||||
| 654 | R | 22.4 | Very low | 22.9 | Very low | 227 Ų | 227 | 146.2 Ų | 146.2 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -18.8 | 127.8 | 171.2 | -75.2 | 179.5 | 169 | 179 | -4.4 | 119.8 | ||||
| 655 | L | 18.9 | Very low | 23.1 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | 44.8 | 117.5 | 122.2 | -62.9 | 165 | 0 | 0 | 0 | 119.6 | |||||
| 656 | H | 24.9 | Very low | 23.1 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | -141.7 | 172.2 | 120.7 | -127.6 | -97.3 | 0 | 0 | 0 | 110.9 | |||||
| 657 | Q | 19.4 | Very low | 23.3 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -97.2 | 161 | -160.5 | -60.7 | 171.9 | -32.5 | 0 | 0 | 115.6 | ||||
| 658 | S | 21.6 | Very low | 23.4 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 103.9 | 151.6 | 133.5 | 81 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 659 | V | 22.5 | Very low | 23.5 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | trans | 66.6 | 106.2 | 168.4 | -168.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 660 | K | 24.6 | Very low | 23.7 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | 72.2 | 153.2 | 56.9 | -72.6 | -169.3 | 171.8 | -176.8 | 0 | 114.2 | |||||
| 661 | P | 27.7 | Very low | 24.3 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | -143.1 | -162.5 | -50.9 | 41.6 | -22.9 | 0 | 0 | 0 | 111.8 | |||||
| 662 | I | 23.5 | Very low | 24.1 | Very low | 161 Ų | 161 | 134 Ų | 134 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | 70.6 | 151.8 | 154.8 | -70.8 | 169.1 | 0 | 0 | 0 | 116.9 | ||||
| 663 | A | 24.5 | Very low | 24.2 | Very low | 74 Ų | 74 | 133.8 Ų | 133.8 | 61% | 0.612 | 77% | 0.77 | S | S | * | * | cis | -174.5 | 170 | -39.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 664 | S | 25.3 | Very low | 24.3 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | 64.2 | 163.9 | 156.1 | 67.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 665 | S | 24.5 | Very low | 24.5 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -165 | 172.3 | -35.1 | 57.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 666 | N | 26 | Very low | 25 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | 53.5 | 128.4 | 152.2 | -58.4 | -10.6 | 0 | 0 | 0 | 121.1 | ||||
| 667 | G | 23.7 | Very low | 25.2 | Very low | 66 Ų | 66 | 124.3 Ų | 124.3 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | 130.4 | 112.8 | 121.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 668 | L | 23.1 | Very low | 25.5 | Very low | 158 Ų | 158 | 123.3 Ų | 123.3 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | 54 | 129.6 | 146.1 | -66.8 | 103.2 | 0 | 0 | 0 | 122.7 | ||||
| 669 | L | 23.5 | Very low | 26.3 | Very low | 155 Ų | 155 | 123.7 Ų | 123.7 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | 60.8 | 104.6 | 140.3 | -65.2 | 171.7 | 0 | 0 | 0 | 120.1 | ||||
| 670 | P | 26.9 | Very low | 26.7 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | trans | -97.8 | -179 | 168.4 | 41.4 | -35.6 | 0 | 0 | 0 | 112.2 | ||||
| 671 | P | 34.4 | Very low | 27.1 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | cis | -133.9 | 179.2 | -47.9 | 38.3 | -23.9 | 0 | 0 | 0 | 111.6 | ||||
| 672 | S | 22.1 | Very low | 27.2 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -150.1 | 151 | 163.1 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 673 | S | 24.6 | Very low | 27.5 | Very low | 107 Ų | 107 | 119 Ų | 119 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 51.1 | 107.6 | 164.3 | 59.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 674 | S | 26.4 | Very low | 27.9 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 178.9 | 145.2 | 109.7 | 45.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 675 | S | 26.7 | Very low | 27.9 | Very low | 120 Ų | 120 | 121 Ų | 121 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | 62.3 | 160.6 | -178.5 | 84.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 676 | S | 28.8 | Very low | 27.7 | Very low | 95 Ų | 95 | 122.7 Ų | 122.7 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | cis | -162.1 | 167.7 | -33.9 | 53.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 677 | L | 29.2 | Very low | 27.7 | Very low | 168 Ų | 168 | 121.4 Ų | 121.4 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | trans | 68 | 120.9 | 171.3 | -59.3 | 165.8 | 0 | 0 | 0 | 117.1 | ||||
| 678 | T | 26.6 | Very low | 27.8 | Very low | 141 Ų | 141 | 123.7 Ų | 123.7 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | trans | -101.6 | 154.2 | 170.2 | 41.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 679 | P | 37.3 | Very low | 27.7 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | trans | -103 | 164.9 | -172.9 | 39.5 | -35.8 | 0 | 0 | 0 | 114.3 | ||||
| 680 | P | 30.8 | Very low | 27.9 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -122 | 124.8 | 159.8 | 35.3 | -22.7 | 0 | 0 | 0 | 113.3 | ||||
| 681 | P | 33.8 | Very low | 28 | Very low | 114 Ų | 114 | 121.8 Ų | 121.8 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | -88.9 | 165.9 | 124.1 | -24.3 | 36.7 | 0 | 0 | 0 | 112 | |||||
| 682 | P | 29.3 | Very low | 27.5 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -74.5 | 166.2 | -171 | 28.4 | -33.9 | 0 | 0 | 0 | 115.3 | ||||
| 683 | P | 30.3 | Very low | 27.6 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | trans | -93.3 | -170.6 | -161.5 | 42.9 | -41.5 | 0 | 0 | 0 | 112.9 | ||||
| 684 | P | 32.5 | Very low | 27.5 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | -134.9 | 175.5 | 2.6 | 33.6 | -11.7 | 0 | 0 | 0 | 116.8 | ||||
| 685 | T | 25 | Very low | 27.5 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | 156.5 | 118.7 | 114.7 | 52.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 686 | T | 20.8 | Very low | 27.6 | Very low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | trans | 32.2 | 125.4 | 143.8 | 56.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 687 | T | 26.8 | Very low | 27.3 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | -176.1 | 146.8 | 124.3 | 27.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 688 | T | 24 | Very low | 27.1 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 23.1 | 127.1 | 150.1 | 55.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 689 | I | 21.7 | Very low | 27.2 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | 85.8 | 145.2 | 62.2 | -68.8 | 167 | 0 | 0 | 0 | 113.9 | |||||
| 690 | T | 28.9 | Very low | 27.3 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | 91.7 | 142.8 | -175.4 | 73.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 691 | D | 29.1 | Very low | 27.3 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | cis | -157.3 | 154.7 | -21.9 | -113 | -31.9 | 0 | 0 | 0 | 118.3 | ||||
| 692 | Q | 22.9 | Very low | 27.4 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 16.7 | 126.1 | 141.8 | -67.5 | 169.1 | 74 | 0 | 0 | 123.7 | ||||
| 693 | F | 23.8 | Very low | 27.6 | Very low | 209 Ų | 209 | 141.4 Ų | 141.4 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | -162.4 | 152.6 | 129.4 | -114.8 | -75.1 | 0 | 0 | 0 | 112.3 | |||||
| 694 | I | 22.8 | Very low | 27.1 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 80% | 0.795 | 77% | 0.774 | S | S | * | * | trans | 68.5 | 126.4 | 172.3 | -56.1 | 176.8 | 0 | 0 | 0 | 117.8 | ||||
| 695 | R | 26.2 | Very low | 26.9 | Very low | 233 Ų | 233 | 146.3 Ų | 146.3 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -119.6 | 168.1 | 160.4 | -60.8 | -176.3 | -178.1 | -169.7 | 1.4 | 108.7 | ||||
| 696 | P | 29.3 | Very low | 26.7 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | -140.5 | 146.4 | 100.6 | 14.9 | 7.7 | 0 | 0 | 0 | 117.4 | |||||
| 697 | F | 22.6 | Very low | 26.9 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | 45.5 | 101.3 | 149.4 | -64.8 | -70.1 | 0 | 0 | 0 | 123.6 | ||||
| 698 | S | 24.6 | Very low | 26.8 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | -163.6 | 176.3 | 113.9 | 28.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 699 | A | 28.9 | Very low | 26.6 | Very low | 94 Ų | 94 | 150 Ų | 150 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | -137.4 | -166.5 | -159.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 700 | P | 38.6 | Very low | 26.6 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | -129.9 | 171.8 | -57.8 | 32.4 | -16.1 | 0 | 0 | 0 | 114.1 | |||||
| 701 | H | 31.9 | Very low | 26.4 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | 156 | 148.5 | 130.5 | -95.7 | -72.6 | 0 | 0 | 0 | 117.2 | ||||
| 702 | K | 34.7 | Very low | 26.1 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | trans | 68.5 | 159.9 | 147.7 | -74 | 174.9 | -176.6 | -178.3 | 0 | 120 | ||||
| 703 | T | 33.3 | Very low | 25.9 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | -170.4 | 135.9 | -53.6 | 24.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 704 | F | 21.2 | Very low | 25.9 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | 34.5 | 151.4 | 141.7 | -120.6 | -114 | 0 | 0 | 0 | 124.6 | ||||
| 705 | M | 27.5 | Very low | 26.1 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | trans | 68.3 | 160.2 | 173.7 | -59.3 | -49.4 | -165.4 | 0 | 0 | 117.2 | ||||
| 706 | N | 21.3 | Very low | 26.1 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | cis | 139.5 | 153 | -16.3 | -112.3 | 1.3 | 0 | 0 | 0 | 110.6 | ||||
| 707 | E | 24.4 | Very low | 26.4 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | 76.6 | 119.5 | 166.4 | -66.2 | -173.1 | 166.7 | 0 | 0 | 121.9 | ||||
| 708 | T | 24.9 | Very low | 26.3 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | 46.8 | 149.8 | 129.9 | 77.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 709 | L | 20.4 | Very low | 26.2 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | cis | -156.7 | 164 | -0.9 | -151.2 | 75.2 | 0 | 0 | 0 | 110.4 | ||||
| 710 | S | 22.1 | Very low | 25.8 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | 73.1 | 154.5 | 154.2 | 87.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 711 | N | 24.2 | Very low | 25 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | cis | -160.9 | 143.4 | -21.1 | -112.6 | -5.1 | 0 | 0 | 0 | 112.8 | ||||
| 712 | V | 22.3 | Very low | 24.6 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 65% | 0.648 | 74% | 0.743 | S | S | * | * | trans | 50.1 | 111.8 | 131.6 | -178.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 713 | E | 19 | Very low | 23.9 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | 70.8 | 151.9 | 144.3 | -76.1 | -173.4 | 123.9 | 0 | 0 | 124.4 | ||||
| 714 | K | 23.3 | Very low | 23.5 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 67% | 0.665 | 75% | 0.749 | S | S | * | * | trans | 89.1 | 135.5 | 138.3 | -87.3 | 154.8 | -171 | 151.6 | 0 | 122.4 | ||||
| 715 | H | 27.3 | Very low | 23.9 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 82% | 0.819 | 75% | 0.747 | S | S | * | * | trans | 76.1 | 153.9 | 155.1 | -77.1 | -67.8 | 0 | 0 | 0 | 122.2 | ||||
| 716 | V | 26.8 | Very low | 23.9 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -154 | 157.2 | -162.2 | -179.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 717 | P | 34.4 | Very low | 24.2 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | cis | -121.4 | 174 | -33.2 | 37.7 | -24.2 | 0 | 0 | 0 | 112.3 | ||||
| 718 | S | 21.5 | Very low | 24.1 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -165 | 130.5 | 159.8 | 52.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 719 | I | 22.2 | Very low | 24 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 72.4 | 102 | 130.3 | -60.1 | 171.2 | 0 | 0 | 0 | 120.6 | ||||
| 720 | T | 21.3 | Very low | 24 | Very low | 126 Ų | 126 | 142 Ų | 142 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -9 | 131.2 | 140.7 | 54.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 721 | R | 21.8 | Very low | 24.1 | Very low | 239 Ų | 239 | 142.6 Ų | 142.6 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | trans | -168.8 | 163.1 | 153.2 | -99.4 | -155.9 | 167.8 | -164.4 | -2.9 | 109.1 | ||||
| 722 | S | 22.2 | Very low | 24.1 | Very low | 74 Ų | 74 | 141 Ų | 141 | 52% | 0.517 | 75% | 0.753 | S | S | . | * | cis | 180 | 123.6 | -26.5 | 53 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 723 | Y | 19.8 | Very low | 24 | Very low | 233 Ų | 233 | 143.5 Ų | 143.5 | 91% | 0.914 | 76% | 0.762 | S | S | * | * | trans | 60.1 | 172.5 | 168.6 | -64.6 | -111.7 | 0 | 0 | 0 | 114.2 | ||||
| 724 | S | 26.1 | Very low | 24.1 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | -151.6 | 168.3 | 8.6 | -144.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 725 | P | 29.1 | Very low | 24 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -102.3 | 152.1 | -170.4 | 37.8 | -32.7 | 0 | 0 | 0 | 116.1 | ||||
| 726 | S | 26.7 | Very low | 23.7 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -146.1 | 148.9 | 172 | -65.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 727 | D | 29.3 | Very low | 23.5 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | 62.5 | 111.2 | 156.5 | -68 | -64.8 | 0 | 0 | 0 | 124.2 | ||||
| 728 | R | 22.3 | Very low | 23 | Very low | 214 Ų | 214 | 142.1 Ų | 142.1 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | 66 | 103.4 | 125.1 | -61.5 | 176.4 | -154.4 | -121.4 | -2.3 | 122.3 | |||||
| 729 | I | 22 | Very low | 23 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | 12.2 | 123.6 | 110.8 | -32.9 | 174.8 | 0 | 0 | 0 | 113.9 | |||||
| 730 | I | 21 | Very low | 23 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | cis | -137.2 | 141.4 | 49.2 | -66.3 | 162.8 | 0 | 0 | 0 | 113 | ||||
| 731 | S | 22.8 | Very low | 23.1 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -113 | 146.8 | 153.7 | 62.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 732 | P | 24.8 | Very low | 23.2 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | -146.4 | -178.8 | 91 | 39.3 | -23.3 | 0 | 0 | 0 | 114.9 | |||||
| 733 | L | 19.5 | Very low | 23.2 | Very low | 160 Ų | 160 | 148.7 Ų | 148.7 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | 76.2 | 88.6 | -170.3 | -54.4 | 175 | 0 | 0 | 0 | 111.8 | ||||
| 734 | K | 22 | Very low | 23.5 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | 52.7 | 127.9 | 50.1 | -67.6 | -172.2 | 159.4 | -82.6 | 0 | 113.1 | |||||
| 735 | E | 21.2 | Very low | 23.4 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | cis | -157.8 | 105.3 | -10.4 | -127.5 | 149.3 | -160.2 | 0 | 0 | 108.1 | ||||
| 736 | V | 21.5 | Very low | 23.2 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -139.6 | 108.1 | 177.8 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 737 | S | 21.7 | Very low | 23.2 | Very low | 94 Ų | 94 | 147.8 Ų | 147.8 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | trans | -164.6 | 148.4 | 171.3 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 738 | N | 24 | Very low | 23.1 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 64.8 | 105.1 | 166.2 | -48.7 | -14.7 | 0 | 0 | 0 | 113.9 | ||||
| 739 | E | 21.1 | Very low | 23.5 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | 48.7 | 101.6 | 50.5 | -55.4 | -161.1 | 154.6 | 0 | 0 | 113.4 | |||||
| 740 | D | 23.5 | Very low | 24 | Very low | 172 Ų | 172 | 150 Ų | 150 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | trans | -131.2 | 136.3 | 154.5 | -131.1 | -30.3 | 0 | 0 | 0 | 107.5 | ||||
| 741 | V | 22.6 | Very low | 24.6 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -102.5 | 101.7 | -163.9 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 742 | E | 24.9 | Very low | 24.9 | Very low | 195 Ų | 195 | 149 Ų | 149 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -89.8 | 136.5 | 167.7 | -84.5 | -149.5 | 131 | 0 | 0 | 113.4 | ||||
| 743 | L | 22.1 | Very low | 25.4 | Very low | 164 Ų | 164 | 149.5 Ų | 149.5 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | -84.2 | 135.5 | -171.2 | -73.5 | 132.7 | 0 | 0 | 0 | 112.2 | G745 | L743-G745 PolarHBondContact O-N 3.35Š| ||
| 744 | K | 25.9 | Very low | 25.8 | Very low | 208 Ų | 208 | 148.5 Ų | 148.5 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | trans | -63.4 | 88.1 | 179.8 | -69.6 | 179.4 | 177.1 | 176.6 | 0 | 112.9 | I746 | K744-I746 PolarHBondContact O-N 2.93Š| ||
| 745 | G | 24.5 | Very low | 26.3 | Very low | 71 Ų | 71 | 146.8 Ų | 146.8 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | -78.7 | 100.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L743 S747 | L743-G745 PolarHBondContact O-N 3.35Å; G745-S747 PolarHBondContact O-N 2.95Å | ||
| 746 | I | 24.5 | Very low | 27.2 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 91% | 0.908 | 76% | 0.755 | S | S | * | * | trans | -66.9 | 120.6 | -178.4 | -59.2 | 170.1 | 0 | 0 | 0 | 110.5 | K744 | K744-I746 PolarHBondContact O-N 2.93Š| ||
| 747 | S | 26.7 | Very low | 27.9 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | -135.7 | 150.2 | 178.9 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | G745 E749 | G745-S747 PolarHBondContact O-N 2.95Å; S747-E749 PolarHBondContact O-N 3.44Å | ||
| 748 | M | 26.1 | Very low | 28.4 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 84% | 0.837 | 75% | 0.745 | S | S | * | * | trans | -88.2 | 87.8 | -165.9 | -60.5 | 172.3 | -71 | 0 | 0 | 113.1 | ||||
| 749 | E | 30.5 | Very low | 28.6 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | trans | -102.1 | -29.2 | 174.1 | -68.3 | -173.4 | 138 | 0 | 0 | 114.2 | S747 N751 I752 | S747-E749 PolarHBondContact O-N 3.44Å; E749-N751 VanDerWaalsContact C-N 3.26Å; E749-N751 PolarHBondContact O-N 3.44Å; E749-N751 VanDerWaalsContact O-N 3.09Å; E749-I752 PolarHBondContact O-N 2.75Å | ||
| 750 | R | 32.6 | Very low | 29.1 | Very low | 215 Ų | 215 | 140.8 Ų | 140.8 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -62.7 | -19.5 | -175.6 | -90.6 | -177 | 172.5 | 160.5 | -0.5 | 116.5 | ||
| 751 | N | 33.5 | Very low | 29.5 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 64% | 0.642 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -81.1 | -12.7 | 179.3 | -74.6 | 11 | 0 | 0 | 0 | 114.1 | E749 | E749-N751 VanDerWaalsContact C-N 3.26Å; E749-N751 PolarHBondContact O-N 3.44Å; E749-N751 VanDerWaalsContact O-N 3.09Å |
| 752 | I | 30.4 | Very low | 29.7 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 62% | 0.621 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -85.4 | -45.3 | 177.2 | -64.5 | 177.6 | 0 | 0 | 0 | 110.2 | E749 M754 L755 T756 | E749-I752 PolarHBondContact O-N 2.75Å; I752-M754 VanDerWaalsContact C-N 3.27Å; I752-M754 PolarHBondContact O-N 3.29Å; I752-L755 PolarHBondContact O-N 2.99Å; I752-T756 PolarHBondContact O-N 3.13Å; I752-T756 PolarHBondContact O-OG1 2.97Å |
| 753 | E | 33.8 | Very low | 29.9 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 55% | 0.547 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -60.3 | -34.4 | 179.7 | -63.7 | -165.3 | 117.5 | 0 | 0 | 113.3 | T756 K757 | E753-T756 PolarHBondContact O-N 3.28Å; E753-K757 WeakPolarHBondContact O-CB 3.46Å; E753-K757 PolarHBondContact O-N 3.39Å |
| 754 | M | 29.8 | Very low | 30.2 | Very low | 139 Ų | 139 | 123.9 Ų | 123.9 | 69% | 0.685 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -66.2 | -40.1 | -179.8 | -133.9 | 172.3 | 74.7 | 0 | 0 | 112.1 | I752 Q758 | I752-M754 VanDerWaalsContact C-N 3.27Å; I752-M754 PolarHBondContact O-N 3.29Å; M754-Q758 PolarHBondContact O-N 3.34Å |
| 755 | L | 32.6 | Very low | 30.3 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 62% | 0.623 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.4 | -37 | 173.2 | -76.6 | 168.1 | 0 | 0 | 0 | 111.9 | I752 M759 | I752-L755 PolarHBondContact O-N 2.99Å; L755-M759 WeakPolarHBondContact O-CG 3.26Å; L755-M759 PolarHBondContact O-N 2.98Å; L755-M759 VanDerWaalsContact O-N 3.16Å |
| 756 | T | 38.2 | Very low | 30.5 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 53% | 0.528 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -63.7 | -43 | 173.7 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | I752 E753 M759 S760 | I752-T756 PolarHBondContact O-N 3.13Å; I752-T756 PolarHBondContact O-OG1 2.97Å; E753-T756 PolarHBondContact O-N 3.28Å; T756-M759 PolarHBondContact O-N 3.35Å; T756-S760 WeakPolarHBondContact O-CB 3.26Å; T756-S760 PolarHBondContact O-N 2.71Å; T756-S760 PolarHBondContact O-OG 3.42Å |
| 757 | K | 36.5 | Very low | 30.6 | Very low | 146 Ų | 146 | 120 Ų | 120 | 64% | 0.635 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.6 | -42.6 | -179.8 | -79.8 | -177.8 | 175.5 | 175.3 | 0 | 112.9 | E753 M759 S760 S761 | E753-K757 WeakPolarHBondContact O-CB 3.46Å; E753-K757 PolarHBondContact O-N 3.39Å; K757-M759 PolarHBondContact O-N 2.91Å; K757-S760 WeakPolarHBondContact CA-OG 3.15Å; K757-S760 PolarHBondContact O-N 3.31Å; K757-S760 PolarHBondContact O-OG 3.47Å; K757-S761 PolarHBondContact O-N 2.88Å |
| 758 | Q | 32.1 | Very low | 30.4 | Very low | 152 Ų | 152 | 118.1 Ų | 118.1 | 71% | 0.71 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.6 | -32.6 | 174.4 | -79.1 | -164.6 | -26.8 | 0 | 0 | 113.6 | M754 | M754-Q758 PolarHBondContact O-N 3.34Å |
| 759 | M | 28.3 | Very low | 30.4 | Very low | 141 Ų | 141 | 117.6 Ų | 117.6 | 70% | 0.695 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.4 | -28 | 174.2 | -74.7 | -72.8 | 178.6 | 0 | 0 | 112.9 | L755 T756 K757 T763 | L755-M759 WeakPolarHBondContact O-CG 3.26Å; L755-M759 PolarHBondContact O-N 2.98Å; L755-M759 VanDerWaalsContact O-N 3.16Å; T756-M759 PolarHBondContact O-N 3.35Å; K757-M759 PolarHBondContact O-N 2.91Å; M759-T763 PolarHBondContact O-OG1 3.38Å |
| 760 | S | 31.2 | Very low | 30.1 | Very low | 71 Ų | 71 | 115.2 Ų | 115.2 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -78.6 | -23.8 | -179.6 | 63.1 | 0 | 0 | 0 | 0 | 114.9 | T756 K757 | T756-S760 WeakPolarHBondContact O-CB 3.26Å; T756-S760 PolarHBondContact O-N 2.71Å; T756-S760 PolarHBondContact O-OG 3.42Å; K757-S760 WeakPolarHBondContact CA-OG 3.15Å; K757-S760 PolarHBondContact O-N 3.31Å; K757-S760 PolarHBondContact O-OG 3.47Å |
| 761 | S | 32 | Very low | 29.6 | Very low | 88 Ų | 88 | 113.5 Ų | 113.5 | 62% | 0.615 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -4.9 | -174.7 | 72.5 | 0 | 0 | 0 | 0 | 115 | K757 | K757-S761 PolarHBondContact O-N 2.88Š|
| 762 | S | 28 | Very low | 29.1 | Very low | 78 Ų | 78 | 113.4 Ų | 113.4 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.3 | -11 | 176.4 | 60.4 | 0 | 0 | 0 | 0 | 114 | ||
| 763 | T | 28.4 | Very low | 28.9 | Very low | 85 Ų | 85 | 113.1 Ų | 113.1 | 52% | 0.521 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.2 | -12 | 178 | 44.4 | 0 | 0 | 0 | 0 | 114.6 | M759 | M759-T763 PolarHBondContact O-OG1 3.38Š|
| 764 | G | 29.5 | Very low | 28.4 | Very low | 45 Ų | 45 | 115.4 Ų | 115.4 | 46% | 0.464 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.8 | -51 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | I766 | G764-I766 VanDerWaalsContact C-N 3.34Å; G764-I766 PolarHBondContact O-N 3.36Å |
| 765 | D | 27.6 | Very low | 28 | Very low | 137 Ų | 137 | 116.2 Ų | 116.2 | 73% | 0.733 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.8 | -16.9 | -165.1 | -61.2 | -19.7 | 0 | 0 | 0 | 114.5 | ||
| 766 | I | 27.4 | Very low | 27.7 | Very low | 128 Ų | 128 | 115.5 Ų | 115.5 | 66% | 0.656 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -89.8 | -32.5 | 179.9 | -61.4 | 179.5 | 0 | 0 | 0 | 111.7 | G764 G768 M769 | G764-I766 VanDerWaalsContact C-N 3.34Å; G764-I766 PolarHBondContact O-N 3.36Å; I766-G768 PolarHBondContact O-N 2.98Å; I766-M769 PolarHBondContact O-N 3.24Å |
| 767 | I | 26.5 | Very low | 27 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 56% | 0.564 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -71.6 | -22.7 | 177.3 | -63.1 | 177.4 | 0 | 0 | 0 | 111.2 | M769 | I767-M769 VanDerWaalsContact C-N 3.33Å; I767-M769 PolarHBondContact O-N 3.31Å |
| 768 | G | 24.3 | Very low | 26.4 | Very low | 58 Ų | 58 | 123 Ų | 123 | 60% | 0.598 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -25.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | I766 | I766-G768 PolarHBondContact O-N 2.98Š|
| 769 | M | 24.8 | Very low | 25.9 | Very low | 159 Ų | 159 | 123 Ų | 123 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -8.2 | -175.8 | -68.4 | -166.6 | 70.6 | 0 | 0 | 115 | I766 I767 | I766-M769 PolarHBondContact O-N 3.24Å; I767-M769 VanDerWaalsContact C-N 3.33Å; I767-M769 PolarHBondContact O-N 3.31Å |
| 770 | C | 23.5 | Very low | 25.6 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 71% | 0.709 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -119.7 | 28.6 | -175.8 | -62.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 771 | K | 23.1 | Very low | 25.3 | Very low | 178 Ų | 178 | 128.8 Ų | 128.8 | 77% | 0.774 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -121.4 | 12 | 172.6 | -81.5 | -164.4 | 169.3 | -169.8 | 0 | 115 | ||
| 772 | T | 23.5 | Very low | 24.9 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -127.4 | 40.5 | 179.2 | 45.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 773 | T | 25.5 | Very low | 24.5 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -164.5 | 156 | 157.2 | 3.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 774 | M | 22.9 | Very low | 24.3 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 68.9 | 52.5 | 174.2 | -49.9 | -48.7 | 176.4 | 0 | 0 | 117.4 | ||||
| 775 | D | 22.8 | Very low | 23.8 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | -141 | 147.2 | 129.9 | -115.2 | -31.5 | 0 | 0 | 0 | 108.6 | |||||
| 776 | P | 26.4 | Very low | 23.4 | Very low | 104 Ų | 104 | 144 Ų | 144 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | cis | -114.7 | 141.9 | -10.6 | 37.2 | -24.8 | 0 | 0 | 0 | 112.8 | ||||
| 777 | Y | 22.9 | Very low | 23 | Very low | 226 Ų | 226 | 147.8 Ų | 147.8 | 89% | 0.886 | 78% | 0.779 | S | S | * | * | trans | -138 | 18.4 | 170 | -114.6 | -76.2 | 0 | 0 | 0 | 114.6 | ||||
| 778 | I | 23.9 | Very low | 22.7 | Very low | 163 Ų | 163 | 149.6 Ų | 149.6 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -122.6 | 66.2 | 175.2 | -49.1 | -178.5 | 0 | 0 | 0 | 109.5 | ||||
| 779 | N | 21.6 | Very low | 22.5 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -165.6 | 72.7 | 163.2 | -108.3 | -23.5 | 0 | 0 | 0 | 110.8 | ||
| 780 | N | 22.8 | Very low | 22.3 | Very low | 165 Ų | 165 | 150 Ų | 150 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 169.7 | 76.9 | 155.2 | -95.4 | -49.1 | 0 | 0 | 0 | 110.5 | ||
| 781 | L | 24.1 | Very low | 22.2 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | trans | -154.4 | 25.5 | 167.3 | -119.3 | 172.4 | 0 | 0 | 0 | 115.2 | ||||
| 782 | V | 23.2 | Very low | 22.3 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -129.2 | 74.6 | 167.7 | -173.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 783 | N | 20.5 | Very low | 22.2 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | trans | 172.6 | 92.3 | 147.9 | -93.5 | -26.3 | 0 | 0 | 0 | 111.7 | ||||
| 784 | R | 22.7 | Very low | 22.1 | Very low | 252 Ų | 252 | 143 Ų | 143 | 95% | 0.951 | 74% | 0.737 | S | S | * | * | trans | -173.6 | 103.1 | 134.7 | -105.7 | 172.9 | -171.5 | -153.9 | 0.6 | 111.4 | ||||
| 785 | S | 20.2 | Very low | 21.9 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | -78.4 | 176.6 | 159.8 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 786 | S | 18 | Very low | 21.8 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | 58 | 107.7 | 165.9 | 57.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 787 | Y | 19.6 | Very low | 21.5 | Very low | 207 Ų | 207 | 143.1 Ų | 143.1 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | -176.1 | 97.1 | 114.2 | -109 | -81.6 | 0 | 0 | 0 | 106.9 | |||||
| 788 | Q | 19.5 | Very low | 21.4 | Very low | 149 Ų | 149 | 138 Ų | 138 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | 63.3 | 136.4 | 85.2 | -104.7 | -157.4 | 17.5 | 0 | 0 | 116.9 | |||||
| 789 | Q | 21.7 | Very low | 21.4 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 55% | 0.547 | 73% | 0.729 | S | S | . | * | trans | 59.9 | 106.2 | 160.4 | -63.2 | -171.4 | -1.8 | 0 | 0 | 118.6 | ||||
| 790 | S | 19.5 | Very low | 21.5 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | -44.4 | 138.2 | 142.9 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 791 | S | 21.3 | Very low | 21.7 | Very low | 47 Ų | 47 | 136.4 Ų | 136.4 | 33% | 0.329 | 72% | 0.716 | S | S | . | * | 144.1 | 138.8 | 102.6 | 73.4 | 0 | 0 | 0 | 0 | 114.5 | K1344 | S791-K1344 VanDerWaalsContact CB-CG 3.49Å; S791-K1344 VanDerWaalsContact OG-CB 3.23Å; S791-K1344 WeakPolarHBondContact OG-CB 3.41Å; S791-K1344 WeakPolarHBondContact OG-CG 3.43Å | |||
| 792 | N | 25.3 | Very low | 21.7 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 50% | 0.497 | 71% | 0.714 | S | S | . | * | trans | -150.5 | 144 | 170.4 | 102.1 | 96.8 | 0 | 0 | 0 | 105.6 | K1344 | N792-K1344 HydrophobicContact CB-CB 3.51Å; N792-K1344 HydrophobicContact CB-CD 4.29Å; N792-K1344 WeakPolarHBondContact CB-O 3.29Å; N792-K1344 WeakPolarHBondContact O-CD 3.4Å; N792-K1344 PolarHBondContact O-NZ 3.33Å | ||
| 793 | H | 22.3 | Very low | 21.8 | Very low | 73 Ų | 73 | 135 Ų | 135 | 34% | 0.338 | 71% | 0.711 | S | S | . | * | trans | -118.6 | 143.8 | 163.4 | -97.2 | -84.2 | 0 | 0 | 0 | 105.1 | I1342 S1343 K1344 | H793-I1342 HydrophobicContact CB-CG2 4.3Å; H793-S1343 WeakPolarHBondContact CB-OG 3.45Å; H793-S1343 PolarHBondContact CD2-N 3.03Å; H793-K1344 HydrophobicContact CB-CD 4.22Å; H793-K1344 WeakPolarHBondContact CD2-CD 3.48Å; H793-K1344 WeakPolarHBondContact CD2-CE 3.47Å | ||
| 794 | L | 22.1 | Very low | 22 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | trans | -157.9 | 143.2 | 150.5 | -117.8 | 142.3 | 0 | 0 | 0 | 110.1 | ||||
| 795 | T | 20.3 | Very low | 21.9 | Very low | 120 Ų | 120 | 131 Ų | 131 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | trans | -116.6 | 112.9 | -175.7 | 46.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 796 | S | 20.7 | Very low | 22 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | trans | -172.5 | 153.4 | 170.5 | 45.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 797 | Y | 19.2 | Very low | 22.4 | Very low | 205 Ų | 205 | 133.2 Ų | 133.2 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | cis | -160.2 | 154.2 | -26.6 | -132.6 | -105.9 | 0 | 0 | 0 | 104.9 | ||||
| 798 | T | 21.7 | Very low | 22.5 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 73% | 0.73 | 70% | 0.701 | S | S | * | * | trans | 34.3 | 135.3 | 158.6 | 52.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 799 | R | 22.5 | Very low | 22.7 | Very low | 237 Ų | 237 | 129.5 Ų | 129.5 | 89% | 0.894 | 71% | 0.708 | S | S | * | * | cis | -169 | 141.9 | 46.5 | -151.3 | 177.4 | -171.9 | 167.7 | 1.8 | 110 | ||||
| 800 | S | 25.2 | Very low | 22.8 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | -82.9 | 165.3 | 165.7 | 65.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 801 | P | 26.7 | Very low | 22.9 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | -150.1 | 153.3 | 68.7 | 38.7 | -18.2 | 0 | 0 | 0 | 119.1 | |||||
| 802 | N | 24.5 | Very low | 23.1 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | trans | 73.6 | 147.5 | 146.2 | -70.4 | -0.9 | 0 | 0 | 0 | 122.9 | ||||
| 803 | P | 25.3 | Very low | 23 | Very low | 116 Ų | 116 | 146 Ų | 146 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | -104.7 | 158 | -174.3 | 40.6 | -33.8 | 0 | 0 | 0 | 113.8 | ||||
| 804 | L | 23 | Very low | 23.3 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | -135.1 | 116.7 | 167 | -93 | 165.3 | 0 | 0 | 0 | 112.2 | ||||
| 805 | K | 22.2 | Very low | 23.3 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | 52.5 | 118.5 | 141.5 | -72.1 | -178.9 | 179.5 | -179.7 | 0 | 120.8 | ||||
| 806 | T | 22.1 | Very low | 23.5 | Very low | 119 Ų | 119 | 151 Ų | 151 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | trans | 61.3 | 109 | 132.2 | 59.5 | 0 | 0 | 0 | 0 | 118.7 | S808 | T806-S808 PolarHBondContact O-N 3.4Š| ||
| 807 | P | 24.9 | Very low | 23.6 | Very low | 133 Ų | 133 | 154.6 Ų | 154.6 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -67 | 122.2 | 158.3 | 29.8 | -31.9 | 0 | 0 | 0 | 109.3 | ||||
| 808 | S | 22.6 | Very low | 23.7 | Very low | 101 Ų | 101 | 150.4 Ų | 150.4 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -69.3 | 126.2 | 166.5 | 51.1 | 0 | 0 | 0 | 0 | 109.9 | T806 | T806-S808 PolarHBondContact O-N 3.4Š| ||
| 809 | E | 22.8 | Very low | 23.7 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | 23.2 | 111.3 | 128.6 | -59.2 | 171.5 | 155.3 | 0 | 0 | 116.7 | |||||
| 810 | E | 25.6 | Very low | 23.6 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | -175.3 | 132.5 | 108.7 | -98.8 | -174.7 | 163 | 0 | 0 | 111.3 | |||||
| 811 | Y | 20.6 | Very low | 23.4 | Very low | 228 Ų | 228 | 152.2 Ų | 152.2 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | trans | -117.5 | 103.2 | 179.1 | -133.8 | -79.7 | 0 | 0 | 0 | 109.7 | H813 | Y811-H813 PolarHBondContact O-N 3.46Å; Y811-H813 VanDerWaalsContact O-N 3.08Å | ||
| 812 | I | 24.8 | Very low | 23.2 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -82 | 91.8 | 174.6 | -61.6 | -176.3 | 0 | 0 | 0 | 110.4 | ||||
| 813 | H | 23.8 | Very low | 23.2 | Very low | 151 Ų | 151 | 150 Ų | 150 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 47.9 | 79.4 | 130.4 | -162.6 | -137.6 | 0 | 0 | 0 | 118 | Y811 V815 | Y811-H813 PolarHBondContact O-N 3.46Å; Y811-H813 VanDerWaalsContact O-N 3.08Å; H813-V815 WeakPolarHBondContact CE1-CG2 3.47Å; H813-V815 WeakPolarHBondContact NE2-CG2 3.49Å; H813-V815 PolarHBondContact O-N 2.83Å; H813-V815 VanDerWaalsContact O-N 3.11Å | ||
| 814 | H | 28.3 | Very low | 23.2 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | trans | -79.5 | 87.7 | 174.1 | -130.3 | -72.6 | 0 | 0 | 0 | 112.6 | K816 | H814-K816 PolarHBondContact O-N 3.2Š| ||
| 815 | V | 22.5 | Very low | 23.2 | Very low | 90 Ų | 90 | 148.8 Ų | 148.8 | 55% | 0.545 | 77% | 0.773 | S | S | . | * | trans | -85.6 | 95.9 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | H813 | H813-V815 WeakPolarHBondContact CE1-CG2 3.47Å; H813-V815 WeakPolarHBondContact NE2-CG2 3.49Å; H813-V815 PolarHBondContact O-N 2.83Å; H813-V815 VanDerWaalsContact O-N 3.11Å | ||
| 816 | K | 24.4 | Very low | 23.3 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | -177.5 | 124.9 | 127.9 | -98.7 | 147.7 | -167.9 | 166.6 | 0 | 114.6 | H814 | H814-K816 PolarHBondContact O-N 3.2Š| |||
| 817 | K | 22.3 | Very low | 23.3 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | 75.3 | 104.3 | 138.9 | -72.2 | -170.8 | 170.8 | -167.7 | 0 | 121.1 | ||||
| 818 | T | 21.9 | Very low | 23.2 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | 79.8 | 143.1 | 121.5 | 55 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 819 | T | 22.5 | Very low | 23.4 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | 62.5 | 93.7 | 158.3 | 44.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 820 | F | 19.6 | Very low | 23.4 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | 61.4 | 102.1 | 83.8 | -97.3 | -99.5 | 0 | 0 | 0 | 114.6 | A822 | F820-A822 HydrophobicContact CD1-CB 4.41Š| |||
| 821 | I | 22.3 | Very low | 23.3 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 92% | 0.918 | 77% | 0.765 | S | S | * | * | trans | -127.6 | 125.5 | 140.2 | -60.8 | 178.3 | 0 | 0 | 0 | 105.4 | ||||
| 822 | A | 21.4 | Very low | 23.5 | Very low | 59 Ų | 59 | 136.9 Ų | 136.9 | 49% | 0.488 | 76% | 0.76 | S | S | . | * | trans | -130.8 | 137 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | F820 | F820-A822 HydrophobicContact CD1-CB 4.41Š| ||
| 823 | N | 25.2 | Very low | 23.5 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | 154.1 | 109.4 | 134.5 | -78.2 | -8.9 | 0 | 0 | 0 | 111.8 | ||||
| 824 | T | 24.6 | Very low | 23.6 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -144.7 | 134.9 | 154.6 | 48 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 825 | S | 22.8 | Very low | 23.5 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | 77.1 | 156.4 | 171.7 | 86.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 826 | T | 24.8 | Very low | 23.8 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | 67.9 | 112.1 | 169.5 | 51.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 827 | T | 22 | Very low | 24.1 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | 66.1 | 107.7 | 135.3 | 56.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 828 | L | 22.4 | Very low | 24 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | 73.3 | 158 | 126.2 | -65.9 | 168.9 | 0 | 0 | 0 | 120.1 | |||||
| 829 | P | 26.4 | Very low | 24.5 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -131.2 | 168 | -144.8 | 43.1 | -28.7 | 0 | 0 | 0 | 117.2 | ||||
| 830 | S | 22.4 | Very low | 24.6 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -164.8 | 144.4 | 142.6 | 6.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 831 | T | 24 | Very low | 24.7 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | 48.7 | 111 | 162.9 | 51.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 832 | C | 24.5 | Very low | 25 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | 57.3 | 129.6 | 72.5 | -54 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 833 | I | 25.9 | Very low | 25 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 82% | 0.821 | 76% | 0.76 | S | S | * | * | cis | -153.3 | 148.3 | 43.8 | -73.2 | 177.6 | 0 | 0 | 0 | 106.6 | ||||
| 834 | S | 26.3 | Very low | 24.8 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | cis | -160.4 | 163.6 | 10 | 42.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 835 | L | 25.4 | Very low | 24.6 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | 34.6 | 146.8 | 137.7 | -56.9 | 172 | 0 | 0 | 0 | 121.9 | ||||
| 836 | N | 29.3 | Very low | 24.4 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | 156.5 | 164.9 | -21 | -103 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 837 | P | 30.4 | Very low | 24.3 | Very low | 97 Ų | 97 | 130 Ų | 130 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | cis | -138.8 | -161.6 | -44 | 37.1 | -16 | 0 | 0 | 0 | 112.7 | ||||
| 838 | L | 20.8 | Very low | 24.4 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | 77.4 | 114.4 | 157.7 | -63.8 | 159.1 | 0 | 0 | 0 | 121.5 | ||||
| 839 | T | 30.7 | Very low | 24.3 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | -173.1 | 175.4 | 113.2 | 23.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 840 | H | 25.4 | Very low | 24.2 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | trans | -117.6 | 136 | -153.1 | -97.4 | -139.6 | 0 | 0 | 0 | 116.9 | ||||
| 841 | I | 22.6 | Very low | 24.3 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | 43.6 | 136.3 | 115.8 | -57.4 | -179.4 | 0 | 0 | 0 | 119 | |||||
| 842 | P | 27.4 | Very low | 24.5 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | cis | -151.2 | -163.6 | -27.3 | 45.9 | -24.3 | 0 | 0 | 0 | 116.2 | ||||
| 843 | K | 21 | Very low | 24.6 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | 49.7 | 121.1 | 149.3 | -70.8 | 174.2 | 179.3 | 179.7 | 0 | 122.3 | ||||
| 844 | L | 21.2 | Very low | 24.9 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | -174.9 | -174 | 106.8 | -105.4 | 163.3 | 0 | 0 | 0 | 112.9 | |||||
| 845 | S | 20.7 | Very low | 25.4 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | -114.5 | 138 | -148.5 | 55.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 846 | S | 19 | Very low | 25.8 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 26.9 | 130.5 | 143.3 | 63.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 847 | S | 22.7 | Very low | 26 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | -170.1 | 142.8 | 117.1 | 53.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 848 | L | 23.1 | Very low | 26.8 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | 66.2 | 123.1 | 151.7 | -67.8 | 162.8 | 0 | 0 | 0 | 121.4 | ||||
| 849 | L | 21.3 | Very low | 27.8 | Very low | 155 Ų | 155 | 149 Ų | 149 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -98.8 | 147.2 | 160.5 | -60.9 | 80.6 | 0 | 0 | 0 | 109.5 | ||||
| 850 | N | 25 | Very low | 28.4 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | -178.3 | 176.9 | 122.8 | -96.1 | -13.2 | 0 | 0 | 0 | 112.4 | |||||
| 851 | D | 24.4 | Very low | 30.2 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | 66.9 | 75.6 | 167 | -64 | -3.1 | 0 | 0 | 0 | 119.1 | ||||
| 852 | S | 28 | Very low | 32.2 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -155.3 | 52.8 | 154.3 | -177.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 853 | M | 27.1 | Very low | 34.1 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 89% | 0.892 | 76% | 0.764 | S | S | * | * | trans | -139.4 | 84.9 | 174.4 | -82.8 | -65.2 | -164.7 | 0 | 0 | 113.1 | ||||
| 854 | N | 31.9 | Very low | 36.7 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 90% | 0.898 | 75% | 0.75 | S | S | * | * | trans | -179 | 108.5 | 149.2 | -100.4 | -40.1 | 0 | 0 | 0 | 111.8 | ||||
| 855 | K | 35.1 | Very low | 39.4 | Very low | 198 Ų | 198 | 135.5 Ų | 135.5 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | -141.3 | 129.9 | 163.8 | -81.7 | -174 | 176.4 | 173.8 | 0 | 110 | ||||
| 856 | P | 35 | Very low | 41.9 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | trans | -87.2 | 133.7 | -170.8 | 33 | -34.8 | 0 | 0 | 0 | 113.4 | ||||
| 857 | I | 34 | Very low | 44.9 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 70% | 0.697 | 72% | 0.716 | S | S | * | * | trans | -96.7 | -15.5 | -176.3 | -69.8 | 173.1 | 0 | 0 | 0 | 113.4 | K859 T860 | I857-K859 PolarHBondContact O-N 3.45Å; I857-T860 PolarHBondContact O-OG1 3.41Å | ||
| 858 | K | 46.7 | Very low | 47.8 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 6.7 | -163.2 | -66.8 | -166.9 | 172.3 | -171.8 | 0 | 118.8 | I862 | K858-I862 WeakPolarHBondContact O-CD1 3.22Š|
| 859 | K | 41.3 | Very low | 50.6 | Low | 192 Ų | 192 | 133.5 Ų | 133.5 | 84% | 0.835 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -87.2 | -29.7 | -180 | -104.1 | -172.4 | 175.8 | -175.5 | 0 | 114.6 | I857 | I857-K859 PolarHBondContact O-N 3.45Å |
| 860 | T | 44.3 | Very low | 53.2 | Low | 102 Ų | 102 | 130 Ų | 130 | 63% | 0.626 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -76.8 | -39.2 | -176.7 | 42.8 | 0 | 0 | 0 | 0 | 113 | I857 I862 S863 L864 | I857-T860 PolarHBondContact O-OG1 3.41Å; T860-I862 PolarHBondContact O-N 2.89Å; T860-S863 WeakPolarHBondContact O-CB 3.21Å; T860-S863 PolarHBondContact O-N 3.43Å; T860-L864 PolarHBondContact O-N 3.5Å |
| 861 | E | 62.7 | Low | 56.3 | Low | 121 Ų | 121 | 126.8 Ų | 126.8 | 57% | 0.565 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -63.1 | -41.7 | -179.1 | -62.5 | 175.7 | 133.2 | 0 | 0 | 112.1 | S863 L864 M865 | E861-S863 VanDerWaalsContact C-N 3.34Å; E861-S863 PolarHBondContact O-N 3.25Å; E861-L864 PolarHBondContact O-N 2.99Å; E861-M865 WeakPolarHBondContact O-CG 3.48Å; E861-M865 PolarHBondContact O-N 3.02Å |
| 862 | I | 65.3 | Low | 59.3 | Low | 105 Ų | 105 | 124.4 Ų | 124.4 | 54% | 0.538 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -62.4 | -42.4 | 176.4 | -59.7 | 174.1 | 0 | 0 | 0 | 110.6 | K858 T860 L864 M865 N866 | K858-I862 WeakPolarHBondContact O-CD1 3.22Å; T860-I862 PolarHBondContact O-N 2.89Å; I862-L864 VanDerWaalsContact C-N 3.34Å; I862-L864 PolarHBondContact O-N 3.01Å; I862-M865 PolarHBondContact O-N 3.42Å; I862-N866 PolarHBondContact O-N 2.74Å; I862-N866 PolarHBondContact O-OD1 2.62Å |
| 863 | S | 66.5 | Low | 62.1 | Low | 77 Ų | 77 | 124.3 Ų | 124.3 | 54% | 0.538 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.9 | -40.6 | 176.8 | -165.7 | 0 | 0 | 0 | 0 | 112.1 | T860 E861 Q867 | T860-S863 WeakPolarHBondContact O-CB 3.21Å; T860-S863 PolarHBondContact O-N 3.43Å; E861-S863 VanDerWaalsContact C-N 3.34Å; E861-S863 PolarHBondContact O-N 3.25Å; S863-Q867 WeakPolarHBondContact O-CB 3.34Å; S863-Q867 PolarHBondContact O-N 3.18Å; S863-Q867 VanDerWaalsContact O-N 3.09Å |
| 864 | L | 74.7 | Confident | 64.3 | Low | 101 Ų | 101 | 120.8 Ų | 120.8 | 53% | 0.529 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.3 | -41.7 | 178 | -174.1 | 67.7 | 0 | 0 | 0 | 111.8 | T860 E861 I862 Q867 L868 | T860-L864 PolarHBondContact O-N 3.5Å; E861-L864 PolarHBondContact O-N 2.99Å; I862-L864 VanDerWaalsContact C-N 3.34Å; I862-L864 PolarHBondContact O-N 3.01Å; L864-Q867 PolarHBondContact O-N 3.11Å; L864-L868 HydrophobicContact CG-CD1 4.27Å; L864-L868 WeakPolarHBondContact O-CG 3.49Å; L864-L868 PolarHBondContact O-N 2.74Å |
| 865 | M | 79.3 | Confident | 66.6 | Low | 114 Ų | 114 | 118.3 Ų | 118.3 | 56% | 0.562 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63 | -44.7 | 177.1 | -72.8 | -65.9 | -71 | 0 | 0 | 111.9 | E861 I862 Q867 L868 Q869 | E861-M865 WeakPolarHBondContact O-CG 3.48Å; E861-M865 PolarHBondContact O-N 3.02Å; I862-M865 PolarHBondContact O-N 3.42Å; M865-Q867 VanDerWaalsContact C-N 3.34Å; M865-Q867 PolarHBondContact O-N 3.47Å; M865-L868 PolarHBondContact O-N 3.2Å; M865-Q869 PolarHBondContact O-N 3.35Å |
| 866 | N | 72.6 | Confident | 68.8 | Low | 91 Ų | 91 | 114 Ų | 114 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.4 | -42.6 | 175.7 | -70.1 | -0.5 | 0 | 0 | 0 | 111.4 | I862 L868 Q869 T870 | I862-N866 PolarHBondContact O-N 2.74Å; I862-N866 PolarHBondContact O-OD1 2.62Å; N866-L868 VanDerWaalsContact C-N 3.34Å; N866-L868 PolarHBondContact O-N 3Å; N866-Q869 PolarHBondContact O-N 2.66Å; N866-T870 PolarHBondContact O-N 3.41Å; N866-T870 PolarHBondContact O-OG1 3.03Å |
| 867 | Q | 82.7 | Confident | 71 | Confident | 115 Ų | 115 | 111.2 Ų | 111.2 | 54% | 0.537 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66 | -34.8 | 177.8 | -168.1 | 176.4 | 15.9 | 0 | 0 | 112.7 | S863 L864 M865 T870 N871 | S863-Q867 WeakPolarHBondContact O-CB 3.34Å; S863-Q867 PolarHBondContact O-N 3.18Å; S863-Q867 VanDerWaalsContact O-N 3.09Å; L864-Q867 PolarHBondContact O-N 3.11Å; M865-Q867 VanDerWaalsContact C-N 3.34Å; M865-Q867 PolarHBondContact O-N 3.47Å; Q867-T870 WeakPolarHBondContact CA-OG1 3.31Å; Q867-T870 PolarHBondContact O-OG1 3.12Å; Q867-N871 WeakPolarHBondContact O-CB 3.36Å; Q867-N871 PolarHBondContact O-N 3.16Å; Q867-N871 VanDerWaalsContact O-N 3.12Å; Q867-N871 PolarHBondContact O-ND2 3.29Å; Q867-N871 PolarHBondContact O-OD1 3.27Å |
| 868 | L | 83.8 | Confident | 73.2 | Confident | 97 Ų | 97 | 110.1 Ų | 110.1 | 51% | 0.508 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 173.4 | -73.9 | 168.9 | 0 | 0 | 0 | 111.8 | L864 M865 N866 N871 L872 | L864-L868 HydrophobicContact CG-CD1 4.27Å; L864-L868 WeakPolarHBondContact O-CG 3.49Å; L864-L868 PolarHBondContact O-N 2.74Å; M865-L868 PolarHBondContact O-N 3.2Å; N866-L868 VanDerWaalsContact C-N 3.34Å; N866-L868 PolarHBondContact O-N 3Å; L868-N871 PolarHBondContact O-N 3.06Å; L868-L872 WeakPolarHBondContact O-CB 3.35Å; L868-L872 PolarHBondContact O-N 3.19Å |
| 869 | Q | 80.9 | Confident | 74.9 | Confident | 130 Ų | 130 | 109 Ų | 109 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 175.7 | -75.5 | -175 | -46.1 | 0 | 0 | 112.7 | M865 N866 L872 K873 | M865-Q869 PolarHBondContact O-N 3.35Å; N866-Q869 PolarHBondContact O-N 2.66Å; Q869-L872 PolarHBondContact O-N 2.92Å; Q869-K873 WeakPolarHBondContact O-CB 3.39Å; Q869-K873 PolarHBondContact O-N 2.75Å; Q869-K873 VanDerWaalsContact O-N 3.09Å |
| 870 | T | 75.8 | Confident | 76.9 | Confident | 80 Ų | 80 | 106.8 Ų | 106.8 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 175.2 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | N866 Q867 L872 K873 Q874 | N866-T870 PolarHBondContact O-N 3.41Å; N866-T870 PolarHBondContact O-OG1 3.03Å; Q867-T870 WeakPolarHBondContact CA-OG1 3.31Å; Q867-T870 PolarHBondContact O-OG1 3.12Å; T870-L872 PolarHBondContact O-N 3.44Å; T870-K873 PolarHBondContact O-N 2.89Å; T870-Q874 WeakPolarHBondContact O-CB 3.46Å; T870-Q874 PolarHBondContact O-N 3.48Å |
| 871 | N | 90 | Very high | 78.6 | Confident | 85 Ų | 85 | 108.4 Ų | 108.4 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 178.6 | -68.6 | -8.5 | 0 | 0 | 0 | 112 | Q867 L868 K873 Q874 Q875 | Q867-N871 WeakPolarHBondContact O-CB 3.36Å; Q867-N871 PolarHBondContact O-N 3.16Å; Q867-N871 VanDerWaalsContact O-N 3.12Å; Q867-N871 PolarHBondContact O-ND2 3.29Å; Q867-N871 PolarHBondContact O-OD1 3.27Å; L868-N871 PolarHBondContact O-N 3.06Å; N871-K873 VanDerWaalsContact C-N 3.33Å; N871-K873 PolarHBondContact O-N 3.22Å; N871-Q874 WeakPolarHBondContact O-CB 3.33Å; N871-Q874 PolarHBondContact O-N 3.47Å; N871-Q875 PolarHBondContact O-N 3.12Å |
| 872 | L | 88.4 | Confident | 79.4 | Confident | 109 Ų | 109 | 108.7 Ų | 108.7 | 57% | 0.571 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -39.9 | 179.1 | -151.4 | 97.2 | 0 | 0 | 0 | 111.5 | L868 Q869 T870 Q875 Q876 | L868-L872 WeakPolarHBondContact O-CB 3.35Å; L868-L872 PolarHBondContact O-N 3.19Å; Q869-L872 PolarHBondContact O-N 2.92Å; T870-L872 PolarHBondContact O-N 3.44Å; L872-Q875 PolarHBondContact O-N 3.08Å; L872-Q876 PolarHBondContact O-N 2.82Å |
| 873 | K | 85.8 | Confident | 80.2 | Confident | 116 Ų | 116 | 110.3 Ų | 110.3 | 50% | 0.504 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.8 | -31.7 | 176.9 | -167.3 | 168.7 | -174 | 172.6 | 0 | 112.6 | Q869 T870 N871 I877 | Q869-K873 WeakPolarHBondContact O-CB 3.39Å; Q869-K873 PolarHBondContact O-N 2.75Å; Q869-K873 VanDerWaalsContact O-N 3.09Å; T870-K873 PolarHBondContact O-N 2.89Å; N871-K873 VanDerWaalsContact C-N 3.33Å; N871-K873 PolarHBondContact O-N 3.22Å; K873-I877 WeakPolarHBondContact O-CD1 3.5Å; K873-I877 WeakPolarHBondContact O-CG1 3.32Å; K873-I877 PolarHBondContact O-N 2.74Å |
| 874 | Q | 74.3 | Confident | 80.8 | Confident | 107 Ų | 107 | 108.4 Ų | 108.4 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 173 | -153.5 | 75.3 | 46.9 | 0 | 0 | 111 | T870 N871 Q876 I877 E878 | T870-Q874 WeakPolarHBondContact O-CB 3.46Å; T870-Q874 PolarHBondContact O-N 3.48Å; N871-Q874 WeakPolarHBondContact O-CB 3.33Å; N871-Q874 PolarHBondContact O-N 3.47Å; Q874-Q876 PolarHBondContact O-N 3.25Å; Q874-I877 PolarHBondContact O-N 3.3Å; Q874-E878 WeakPolarHBondContact O-CG 3.1Å; Q874-E878 PolarHBondContact O-N 2.92Å |
| 875 | Q | 79.1 | Confident | 81 | Confident | 115 Ų | 115 | 109.1 Ų | 109.1 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 179.1 | -68.2 | -174 | -51.3 | 0 | 0 | 113 | N871 L872 I877 E878 E879 | N871-Q875 PolarHBondContact O-N 3.12Å; L872-Q875 PolarHBondContact O-N 3.08Å; Q875-I877 VanDerWaalsContact C-N 3.31Å; Q875-I877 PolarHBondContact O-N 3.07Å; Q875-E878 PolarHBondContact O-N 3Å; Q875-E879 WeakPolarHBondContact O-CG 3.44Å; Q875-E879 PolarHBondContact O-N 3.06Å |
| 876 | Q | 81.4 | Confident | 81.1 | Confident | 108 Ų | 108 | 108.6 Ų | 108.6 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -36.3 | 174.9 | -70.2 | 179.8 | -46.4 | 0 | 0 | 112.4 | L872 Q874 E879 E880 | L872-Q876 PolarHBondContact O-N 2.82Å; Q874-Q876 PolarHBondContact O-N 3.25Å; Q876-E879 PolarHBondContact O-N 3.48Å; Q876-E880 WeakPolarHBondContact O-CB 3.19Å; Q876-E880 WeakPolarHBondContact O-CG 3.47Å; Q876-E880 PolarHBondContact O-N 2.77Å |
| 877 | I | 80.4 | Confident | 81.5 | Confident | 70 Ų | 70 | 111.7 Ų | 111.7 | 36% | 0.359 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | 174.7 | -64.7 | 163.2 | 0 | 0 | 0 | 110.6 | K873 Q874 Q875 E879 E880 E881 | K873-I877 WeakPolarHBondContact O-CD1 3.5Å; K873-I877 WeakPolarHBondContact O-CG1 3.32Å; K873-I877 PolarHBondContact O-N 2.74Å; Q874-I877 PolarHBondContact O-N 3.3Å; Q875-I877 VanDerWaalsContact C-N 3.31Å; Q875-I877 PolarHBondContact O-N 3.07Å; I877-E879 VanDerWaalsContact C-N 3.34Å; I877-E879 PolarHBondContact O-N 3.13Å; I877-E880 PolarHBondContact O-N 2.83Å; I877-E881 HydrophobicContact CG2-CG 4.41Å; I877-E881 WeakPolarHBondContact O-CB 3.4Å; I877-E881 WeakPolarHBondContact O-CG 3.42Å; I877-E881 PolarHBondContact O-N 2.86Å |
| 878 | E | 80.3 | Confident | 81.6 | Confident | 114 Ų | 114 | 112.1 Ų | 112.1 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 175.7 | -71 | 170.5 | -171.9 | 0 | 0 | 112 | Q874 Q875 E882 | Q874-E878 WeakPolarHBondContact O-CG 3.1Å; Q874-E878 PolarHBondContact O-N 2.92Å; Q875-E878 PolarHBondContact O-N 3Å; E878-E882 WeakPolarHBondContact O-CB 3.5Å; E878-E882 PolarHBondContact O-N 2.92Å |
| 879 | E | 83.7 | Confident | 81.6 | Confident | 139 Ų | 139 | 113.1 Ų | 113.1 | 65% | 0.65 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.6 | -42.3 | 174.4 | -71.8 | -178.7 | 161.5 | 0 | 0 | 112.4 | Q875 Q876 I877 E882 E883 | Q875-E879 WeakPolarHBondContact O-CG 3.44Å; Q875-E879 PolarHBondContact O-N 3.06Å; Q876-E879 PolarHBondContact O-N 3.48Å; I877-E879 VanDerWaalsContact C-N 3.34Å; I877-E879 PolarHBondContact O-N 3.13Å; E879-E882 PolarHBondContact O-N 2.85Å; E879-E883 PolarHBondContact O-N 3.21Å |
| 880 | E | 82.7 | Confident | 81.9 | Confident | 147 Ų | 147 | 111.9 Ų | 111.9 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.7 | -39.1 | 175.6 | -77.3 | -177.8 | -172 | 0 | 0 | 112.9 | Q876 I877 E883 G884 | Q876-E880 WeakPolarHBondContact O-CB 3.19Å; Q876-E880 WeakPolarHBondContact O-CG 3.47Å; Q876-E880 PolarHBondContact O-N 2.77Å; I877-E880 PolarHBondContact O-N 2.83Å; E880-E883 PolarHBondContact O-N 2.79Å; E880-G884 PolarHBondContact O-N 2.91Å |
| 881 | E | 80.7 | Confident | 82.4 | Confident | 135 Ų | 135 | 114.4 Ų | 114.4 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.5 | -38.5 | 173.3 | -74.5 | -174.3 | 167.2 | 0 | 0 | 111.2 | I877 E883 G884 E885 | I877-E881 HydrophobicContact CG2-CG 4.41Å; I877-E881 WeakPolarHBondContact O-CB 3.4Å; I877-E881 WeakPolarHBondContact O-CG 3.42Å; I877-E881 PolarHBondContact O-N 2.86Å; E881-E883 PolarHBondContact O-N 3.41Å; E881-G884 PolarHBondContact O-N 2.87Å; E881-E885 PolarHBondContact O-N 3.03Å |
| 882 | E | 79.9 | Confident | 82.2 | Confident | 127 Ų | 127 | 116.9 Ų | 116.9 | 59% | 0.593 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.4 | -32.4 | 174.7 | -114.4 | -148 | -137.4 | 0 | 0 | 112.9 | E878 E879 K886 | E878-E882 WeakPolarHBondContact O-CB 3.5Å; E878-E882 PolarHBondContact O-N 2.92Å; E879-E882 PolarHBondContact O-N 2.85Å; E882-K886 VanDerWaalsContact C-NZ 3.28Å; E882-K886 WeakPolarHBondContact O-CD 3.22Å; E882-K886 VanDerWaalsContact O-CG 3.27Å; E882-K886 WeakPolarHBondContact O-CG 3.23Å; E882-K886 PolarHBondContact O-NZ 2.95Å; E882-K886 IonicContact OE2-NZ 3.74Å; E882-K886 PolarHBondContact OE2-NZ 3.35Å |
| 883 | E | 80.2 | Confident | 82.2 | Confident | 140 Ų | 140 | 116.6 Ų | 116.6 | 65% | 0.654 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -75.7 | -39.2 | 171.9 | -69.1 | -158.2 | 147.5 | 0 | 0 | 112.2 | E879 E880 E881 E885 K886 E887 | E879-E883 PolarHBondContact O-N 3.21Å; E880-E883 PolarHBondContact O-N 2.79Å; E881-E883 PolarHBondContact O-N 3.41Å; E883-E885 PolarHBondContact O-N 3.37Å; E883-K886 WeakPolarHBondContact O-CB 3.43Å; E883-K886 PolarHBondContact O-N 3.28Å; E883-E887 PolarHBondContact O-N 3.48Å |
| 884 | G | 80.5 | Confident | 82.4 | Confident | 37 Ų | 37 | 118.8 Ų | 118.8 | 38% | 0.381 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.3 | -43.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E880 E881 K886 E887 E888 | E880-G884 PolarHBondContact O-N 2.91Å; E881-G884 PolarHBondContact O-N 2.87Å; G884-K886 VanDerWaalsContact C-N 3.25Å; G884-K886 PolarHBondContact O-N 3.44Å; G884-E887 PolarHBondContact O-N 2.97Å; G884-E888 PolarHBondContact O-N 3.26Å |
| 885 | E | 79.4 | Confident | 83.1 | Confident | 115 Ų | 115 | 118.7 Ų | 118.7 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -29.5 | 173.3 | -89.3 | -153.4 | -172.3 | 0 | 0 | 113.2 | E881 E883 K889 | E881-E885 PolarHBondContact O-N 3.03Å; E883-E885 PolarHBondContact O-N 3.37Å; E885-K889 WeakPolarHBondContact O-CB 3.36Å; E885-K889 VanDerWaalsContact O-CD 3.24Å; E885-K889 WeakPolarHBondContact O-CD 3.28Å; E885-K889 VanDerWaalsContact O-CG 3.24Å; E885-K889 WeakPolarHBondContact O-CG 3.46Å; E885-K889 PolarHBondContact O-N 3.33Å; E885-K889 IonicContact OE2-NZ 2.64Å; E885-K889 PolarHBondContact OE2-NZ 3.16Å |
| 886 | K | 79.8 | Confident | 83.6 | Confident | 104 Ų | 104 | 118.8 Ų | 118.8 | 45% | 0.452 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -75.6 | -44.4 | 177.7 | -67.6 | 171.6 | -167 | 91.6 | 0 | 110.7 | E882 E883 G884 E888 K889 E890 | E882-K886 VanDerWaalsContact C-NZ 3.28Å; E882-K886 WeakPolarHBondContact O-CD 3.22Å; E882-K886 VanDerWaalsContact O-CG 3.27Å; E882-K886 WeakPolarHBondContact O-CG 3.23Å; E882-K886 PolarHBondContact O-NZ 2.95Å; E882-K886 IonicContact OE2-NZ 3.74Å; E882-K886 PolarHBondContact OE2-NZ 3.35Å; E883-K886 WeakPolarHBondContact O-CB 3.43Å; E883-K886 PolarHBondContact O-N 3.28Å; G884-K886 VanDerWaalsContact C-N 3.25Å; G884-K886 PolarHBondContact O-N 3.44Å; K886-E888 PolarHBondContact O-N 2.7Å; K886-K889 PolarHBondContact O-N 2.73Å; K886-E890 PolarHBondContact O-N 2.75Å |
| 887 | E | 82.2 | Confident | 84 | Confident | 155 Ų | 155 | 119.3 Ų | 119.3 | 72% | 0.724 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.7 | -42.4 | 173.4 | -77.7 | -146.5 | 135.5 | 0 | 0 | 112.4 | E883 G884 E890 K891 | E883-E887 PolarHBondContact O-N 3.48Å; G884-E887 PolarHBondContact O-N 2.97Å; E887-E890 PolarHBondContact O-N 3.03Å; E887-K891 WeakPolarHBondContact O-CB 3.25Å; E887-K891 PolarHBondContact O-N 3.46Å |
| 888 | E | 83.3 | Confident | 84.5 | Confident | 125 Ų | 125 | 121.6 Ų | 121.6 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.9 | -40.8 | -179.9 | -172.4 | 153.7 | -125.8 | 0 | 0 | 111.8 | G884 K886 K891 E892 | G884-E888 PolarHBondContact O-N 3.26Å; K886-E888 PolarHBondContact O-N 2.7Å; E888-K891 WeakPolarHBondContact O-CB 3.39Å; E888-K891 PolarHBondContact O-N 3.24Å; E888-E892 PolarHBondContact O-N 2.89Å |
| 889 | K | 83.8 | Confident | 84.9 | Confident | 118 Ų | 118 | 120.6 Ų | 120.6 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.2 | -41.9 | 175.2 | -71.7 | 163.9 | -165.4 | 157.3 | 0 | 112.5 | E885 K886 K891 E892 E893 | E885-K889 WeakPolarHBondContact O-CB 3.36Å; E885-K889 VanDerWaalsContact O-CD 3.24Å; E885-K889 WeakPolarHBondContact O-CD 3.28Å; E885-K889 VanDerWaalsContact O-CG 3.24Å; E885-K889 WeakPolarHBondContact O-CG 3.46Å; E885-K889 PolarHBondContact O-N 3.33Å; E885-K889 IonicContact OE2-NZ 2.64Å; E885-K889 PolarHBondContact OE2-NZ 3.16Å; K886-K889 PolarHBondContact O-N 2.73Å; K889-K891 VanDerWaalsContact C-N 3.27Å; K889-K891 PolarHBondContact O-N 3.25Å; K889-E892 PolarHBondContact O-N 3.4Å; K889-E893 PolarHBondContact O-N 3.47Å |
| 890 | E | 88.6 | Confident | 85.3 | Confident | 104 Ų | 104 | 117.8 Ų | 117.8 | 49% | 0.486 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 172 | -86.3 | -154.4 | -154.1 | 0 | 0 | 112.3 | K886 E887 E893 R894 | K886-E890 PolarHBondContact O-N 2.75Å; E887-E890 PolarHBondContact O-N 3.03Å; E890-E893 PolarHBondContact O-N 3.46Å; E890-R894 WeakPolarHBondContact O-CB 3.11Å; E890-R894 WeakPolarHBondContact O-CG 3.48Å; E890-R894 PolarHBondContact O-N 3.3Å; E890-R894 IonicContact OE2-CZ 3.88Å; E890-R894 IonicContact OE2-NE 2.62Å; E890-R894 IonicContact OE2-NH2 2.66Å; E890-R894 PolarHBondContact OE2-NH2 3.18Å |
| 891 | K | 86 | Confident | 85.7 | Confident | 133 Ų | 133 | 115 Ų | 115 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.9 | -39.7 | -179.5 | -174.4 | -178.3 | 178.4 | -172.9 | 0 | 112 | E887 E888 K889 R894 E895 | E887-K891 WeakPolarHBondContact O-CB 3.25Å; E887-K891 PolarHBondContact O-N 3.46Å; E888-K891 WeakPolarHBondContact O-CB 3.39Å; E888-K891 PolarHBondContact O-N 3.24Å; K889-K891 VanDerWaalsContact C-N 3.27Å; K889-K891 PolarHBondContact O-N 3.25Å; K891-R894 PolarHBondContact O-N 3Å; K891-E895 WeakPolarHBondContact O-CB 3.17Å; K891-E895 PolarHBondContact O-N 3.18Å |
| 892 | E | 85 | Confident | 86.1 | Confident | 136 Ų | 136 | 114 Ų | 114 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.7 | -43.7 | 169.8 | -71.2 | -158.2 | 130.8 | 0 | 0 | 111.5 | E888 K889 R894 E895 E896 | E888-E892 PolarHBondContact O-N 2.89Å; K889-E892 PolarHBondContact O-N 3.4Å; E892-R894 PolarHBondContact O-N 3.37Å; E892-E895 PolarHBondContact O-N 2.94Å; E892-E896 PolarHBondContact O-N 2.96Å |
| 893 | E | 89.7 | Confident | 86.8 | Confident | 104 Ų | 104 | 114.3 Ų | 114.3 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 178.1 | -156.8 | -159.4 | 166.3 | 0 | 0 | 112.3 | K889 E890 E896 K897 | K889-E893 PolarHBondContact O-N 3.47Å; E890-E893 PolarHBondContact O-N 3.46Å; E893-E896 PolarHBondContact O-N 3.48Å; E893-K897 WeakPolarHBondContact O-CG 3.45Å; E893-K897 PolarHBondContact O-N 3.17Å; E893-K897 WeakPolarHBondContact OE1-CE 3.49Å; E893-K897 IonicContact OE1-NZ 2.7Å; E893-K897 PolarHBondContact OE1-NZ 2.92Å; E893-K897 IonicContact OE2-NZ 3.15Å; E893-K897 PolarHBondContact OE2-NZ 2.93Å |
| 894 | R | 90.2 | Very high | 87.3 | Confident | 161 Ų | 161 | 113.2 Ų | 113.2 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.9 | -42.3 | 172.5 | -70.7 | 170.3 | -160.5 | -151.9 | 11.8 | 111.3 | E890 K891 E892 K897 E898 | E890-R894 WeakPolarHBondContact O-CB 3.11Å; E890-R894 WeakPolarHBondContact O-CG 3.48Å; E890-R894 PolarHBondContact O-N 3.3Å; E890-R894 IonicContact OE2-CZ 3.88Å; E890-R894 IonicContact OE2-NE 2.62Å; E890-R894 IonicContact OE2-NH2 2.66Å; E890-R894 PolarHBondContact OE2-NH2 3.18Å; K891-R894 PolarHBondContact O-N 3Å; E892-R894 PolarHBondContact O-N 3.37Å; R894-K897 PolarHBondContact O-N 2.88Å; R894-E898 PolarHBondContact O-N 3.03Å |
| 895 | E | 87.3 | Confident | 87.8 | Confident | 105 Ų | 105 | 116.9 Ų | 116.9 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 174.8 | -89.1 | -154 | -162.2 | 0 | 0 | 113 | K891 E892 E898 K899 | K891-E895 WeakPolarHBondContact O-CB 3.17Å; K891-E895 PolarHBondContact O-N 3.18Å; E892-E895 PolarHBondContact O-N 2.94Å; E895-E898 PolarHBondContact O-N 2.85Å; E895-K899 WeakPolarHBondContact O-CB 3.32Å; E895-K899 VanDerWaalsContact O-CD 3.26Å; E895-K899 WeakPolarHBondContact O-CD 3.48Å; E895-K899 WeakPolarHBondContact O-CG 3.35Å; E895-K899 PolarHBondContact O-N 3.37Å; E895-K899 VanDerWaalsContact OE2-CE 3.26Å; E895-K899 WeakPolarHBondContact OE2-CE 3.47Å; E895-K899 IonicContact OE2-NZ 3.62Å; E895-K899 PolarHBondContact OE2-NZ 2.66Å |
| 896 | E | 90.2 | Very high | 88.3 | Confident | 118 Ų | 118 | 118.4 Ų | 118.4 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.5 | -45.2 | 175.5 | -173.6 | 117.7 | -111 | 0 | 0 | 111 | E892 E893 E898 K899 E900 | E892-E896 PolarHBondContact O-N 2.96Å; E893-E896 PolarHBondContact O-N 3.48Å; E896-E898 VanDerWaalsContact C-N 3.31Å; E896-E898 PolarHBondContact O-N 2.86Å; E896-K899 CarbonylContact O-C 3.51Å; E896-K899 WeakPolarHBondContact O-CA 3.31Å; E896-K899 WeakPolarHBondContact O-CB 3.37Å; E896-K899 PolarHBondContact O-N 2.86Å; E896-E900 PolarHBondContact O-N 3.08Å |
| 897 | K | 90.8 | Very high | 88.8 | Confident | 119 Ų | 119 | 117.6 Ų | 117.6 | 52% | 0.517 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.9 | -42 | 171.9 | -71.7 | 166.3 | -174.7 | 166 | 0 | 111.8 | E893 R894 K899 E900 E901 | E893-K897 WeakPolarHBondContact O-CG 3.45Å; E893-K897 PolarHBondContact O-N 3.17Å; E893-K897 WeakPolarHBondContact OE1-CE 3.49Å; E893-K897 IonicContact OE1-NZ 2.7Å; E893-K897 PolarHBondContact OE1-NZ 2.92Å; E893-K897 IonicContact OE2-NZ 3.15Å; E893-K897 PolarHBondContact OE2-NZ 2.93Å; R894-K897 PolarHBondContact O-N 2.88Å; K897-K899 VanDerWaalsContact C-N 3.33Å; K897-K899 PolarHBondContact O-N 3.38Å; K897-E900 PolarHBondContact O-N 3.4Å; K897-E901 WeakPolarHBondContact O-CB 3.47Å; K897-E901 PolarHBondContact O-N 3.46Å |
| 898 | E | 90.2 | Very high | 89.1 | Confident | 117 Ų | 117 | 116.2 Ų | 116.2 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -30.8 | 173 | -108.2 | -157.5 | -138.5 | 0 | 0 | 113.4 | R894 E895 E896 K902 | R894-E898 PolarHBondContact O-N 3.03Å; E895-E898 PolarHBondContact O-N 2.85Å; E896-E898 VanDerWaalsContact C-N 3.31Å; E896-E898 PolarHBondContact O-N 2.86Å; E898-K902 WeakPolarHBondContact O-CD 3.49Å; E898-K902 VanDerWaalsContact O-CE 3.25Å; E898-K902 WeakPolarHBondContact O-CE 3.46Å; E898-K902 WeakPolarHBondContact O-CG 3.41Å; E898-K902 PolarHBondContact O-N 2.94Å; E898-K902 PolarHBondContact O-NZ 2.81Å; E898-K902 WeakPolarHBondContact OE2-CE 3.38Å; E898-K902 IonicContact OE2-NZ 3.24Å; E898-K902 PolarHBondContact OE2-NZ 2.96Å |
| 899 | K | 89.6 | Confident | 89 | Confident | 94 Ų | 94 | 114.1 Ų | 114.1 | 41% | 0.409 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.8 | -38.1 | 175.7 | -71.6 | 154.8 | -163.6 | 162.2 | 0 | 110.7 | E895 E896 K897 R903 | E895-K899 WeakPolarHBondContact O-CB 3.32Å; E895-K899 VanDerWaalsContact O-CD 3.26Å; E895-K899 WeakPolarHBondContact O-CD 3.48Å; E895-K899 WeakPolarHBondContact O-CG 3.35Å; E895-K899 PolarHBondContact O-N 3.37Å; E895-K899 VanDerWaalsContact OE2-CE 3.26Å; E895-K899 WeakPolarHBondContact OE2-CE 3.47Å; E895-K899 IonicContact OE2-NZ 3.62Å; E895-K899 PolarHBondContact OE2-NZ 2.66Å; E896-K899 CarbonylContact O-C 3.51Å; E896-K899 WeakPolarHBondContact O-CA 3.31Å; E896-K899 WeakPolarHBondContact O-CB 3.37Å; E896-K899 PolarHBondContact O-N 2.86Å; K897-K899 VanDerWaalsContact C-N 3.33Å; K897-K899 PolarHBondContact O-N 3.38Å; K899-R903 WeakPolarHBondContact O-CG 3.41Å; K899-R903 PolarHBondContact O-N 2.97Å |
| 900 | E | 91.2 | Very high | 89.1 | Confident | 80 Ų | 80 | 113 Ų | 113 | 37% | 0.374 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.3 | -43.2 | 178 | -157.7 | 56.4 | -128.5 | 0 | 0 | 112.4 | E896 K897 K902 R903 E904 | E896-E900 PolarHBondContact O-N 3.08Å; K897-E900 PolarHBondContact O-N 3.4Å; E900-K902 PolarHBondContact O-N 2.92Å; E900-K902 VanDerWaalsContact O-N 3.17Å; E900-R903 CarbonylContact O-C 3.57Å; E900-R903 WeakPolarHBondContact O-CA 3.09Å; E900-R903 VanDerWaalsContact O-CB 3.31Å; E900-R903 WeakPolarHBondContact O-CB 3.4Å; E900-R903 PolarHBondContact O-N 2.98Å; E900-R903 WeakPolarHBondContact OE1-CD 3.34Å; E900-R903 WeakPolarHBondContact OE2-CD 3.35Å; E900-R903 IonicContact OE2-CZ 2.72Å; E900-R903 IonicContact OE2-NE 3.04Å; E900-R903 IonicContact OE2-NH1 2.74Å; E900-R903 PolarHBondContact OE2-NH1 3.17Å; E900-E904 PolarHBondContact O-N 2.87Å |
| 901 | E | 91.8 | Very high | 89.2 | Confident | 88 Ų | 88 | 115 Ų | 115 | 41% | 0.411 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.4 | -34.7 | 175 | -160.7 | -141.9 | -156.7 | 0 | 0 | 111.9 | K897 E904 K905 | K897-E901 WeakPolarHBondContact O-CB 3.47Å; K897-E901 PolarHBondContact O-N 3.46Å; E901-E904 PolarHBondContact O-N 3.31Å; E901-K905 HydrophobicContact CG-CD 4.34Å; E901-K905 WeakPolarHBondContact O-CB 3.24Å; E901-K905 WeakPolarHBondContact O-CG 3.31Å; E901-K905 PolarHBondContact O-N 3.46Å; E901-K905 WeakPolarHBondContact OE1-CE 3.46Å; E901-K905 IonicContact OE1-NZ 3.4Å; E901-K905 PolarHBondContact OE1-NZ 3.23Å; E901-K905 WeakPolarHBondContact OE2-CE 3.48Å; E901-K905 IonicContact OE2-NZ 2.82Å; E901-K905 PolarHBondContact OE2-NZ 2.84Å |
| 902 | K | 89.4 | Confident | 89.2 | Confident | 113 Ų | 113 | 116.7 Ų | 116.7 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.1 | -29.3 | 173 | -70.3 | 165 | -160.8 | 148.3 | 0 | 113.1 | E898 E900 K906 | E898-K902 WeakPolarHBondContact O-CD 3.49Å; E898-K902 VanDerWaalsContact O-CE 3.25Å; E898-K902 WeakPolarHBondContact O-CE 3.46Å; E898-K902 WeakPolarHBondContact O-CG 3.41Å; E898-K902 PolarHBondContact O-N 2.94Å; E898-K902 PolarHBondContact O-NZ 2.81Å; E898-K902 WeakPolarHBondContact OE2-CE 3.38Å; E898-K902 IonicContact OE2-NZ 3.24Å; E898-K902 PolarHBondContact OE2-NZ 2.96Å; E900-K902 PolarHBondContact O-N 2.92Å; E900-K902 VanDerWaalsContact O-N 3.17Å; K902-K906 VanDerWaalsContact O-CB 3.31Å; K902-K906 WeakPolarHBondContact O-CB 3.4Å; K902-K906 PolarHBondContact O-N 3.18Å |
| 903 | R | 93.2 | Very high | 88 | Confident | 135 Ų | 135 | 113.3 Ų | 113.3 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.4 | -47.8 | 170.4 | -70 | 164 | 177.4 | 179.2 | 2.8 | 110.1 | K899 E900 K906 I907 | K899-R903 WeakPolarHBondContact O-CG 3.41Å; K899-R903 PolarHBondContact O-N 2.97Å; E900-R903 CarbonylContact O-C 3.57Å; E900-R903 WeakPolarHBondContact O-CA 3.09Å; E900-R903 VanDerWaalsContact O-CB 3.31Å; E900-R903 WeakPolarHBondContact O-CB 3.4Å; E900-R903 PolarHBondContact O-N 2.98Å; E900-R903 WeakPolarHBondContact OE1-CD 3.34Å; E900-R903 WeakPolarHBondContact OE2-CD 3.35Å; E900-R903 IonicContact OE2-CZ 2.72Å; E900-R903 IonicContact OE2-NE 3.04Å; E900-R903 IonicContact OE2-NH1 2.74Å; E900-R903 PolarHBondContact OE2-NH1 3.17Å; R903-K906 WeakPolarHBondContact O-CB 3.47Å; R903-K906 PolarHBondContact O-N 3.38Å; R903-I907 WeakPolarHBondContact O-CG1 3.48Å; R903-I907 PolarHBondContact O-N 2.85Å |
| 904 | E | 92.2 | Very high | 87.7 | Confident | 116 Ų | 116 | 114.3 Ų | 114.3 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60 | -50.3 | 178.1 | -68.7 | -155.7 | 128.2 | 0 | 0 | 112.8 | E900 E901 K906 I907 Q908 | E900-E904 PolarHBondContact O-N 2.87Å; E901-E904 PolarHBondContact O-N 3.31Å; E904-K906 PolarHBondContact O-N 2.82Å; E904-I907 CarbonylContact O-C 3.51Å; E904-I907 WeakPolarHBondContact O-CA 3.23Å; E904-I907 PolarHBondContact O-N 2.79Å; E904-Q908 PolarHBondContact O-N 3.21Å |
| 905 | K | 90 | Very high | 87.3 | Confident | 115 Ų | 115 | 112.4 Ų | 112.4 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.3 | -35.4 | 176.4 | -75.8 | 171.7 | 176.3 | 170.4 | 0 | 111.9 | E901 S909 | E901-K905 HydrophobicContact CG-CD 4.34Å; E901-K905 WeakPolarHBondContact O-CB 3.24Å; E901-K905 WeakPolarHBondContact O-CG 3.31Å; E901-K905 PolarHBondContact O-N 3.46Å; E901-K905 WeakPolarHBondContact OE1-CE 3.46Å; E901-K905 IonicContact OE1-NZ 3.4Å; E901-K905 PolarHBondContact OE1-NZ 3.23Å; E901-K905 WeakPolarHBondContact OE2-CE 3.48Å; E901-K905 IonicContact OE2-NZ 2.82Å; E901-K905 PolarHBondContact OE2-NZ 2.84Å; K905-S909 WeakPolarHBondContact O-CB 3.2Å; K905-S909 PolarHBondContact O-N 3.05Å |
| 906 | K | 89.8 | Confident | 86.2 | Confident | 146 Ų | 146 | 110.8 Ų | 110.8 | 64% | 0.635 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.7 | -40.7 | 174.4 | -171.5 | 179.9 | -179.1 | -175.6 | 0 | 112.1 | K902 R903 E904 S909 I910 | K902-K906 VanDerWaalsContact O-CB 3.31Å; K902-K906 WeakPolarHBondContact O-CB 3.4Å; K902-K906 PolarHBondContact O-N 3.18Å; R903-K906 WeakPolarHBondContact O-CB 3.47Å; R903-K906 PolarHBondContact O-N 3.38Å; E904-K906 PolarHBondContact O-N 2.82Å; K906-S909 WeakPolarHBondContact O-CB 3.22Å; K906-S909 PolarHBondContact O-N 3.32Å; K906-I910 HydrophobicContact CG-CD1 4.41Å; K906-I910 WeakPolarHBondContact O-CG1 3.32Å; K906-I910 PolarHBondContact O-N 3.19Å |
| 907 | I | 90.9 | Very high | 84.5 | Confident | 88 Ų | 88 | 110 Ų | 110 | 45% | 0.451 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 174.3 | -68.9 | 163.7 | 0 | 0 | 0 | 110.8 | R903 E904 S909 I910 K911 | R903-I907 WeakPolarHBondContact O-CG1 3.48Å; R903-I907 PolarHBondContact O-N 2.85Å; E904-I907 CarbonylContact O-C 3.51Å; E904-I907 WeakPolarHBondContact O-CA 3.23Å; E904-I907 PolarHBondContact O-N 2.79Å; I907-S909 VanDerWaalsContact C-N 3.34Å; I907-S909 PolarHBondContact O-N 3.15Å; I907-I910 PolarHBondContact O-N 2.79Å; I907-K911 HydrophobicContact CG2-CD 4.33Å; I907-K911 WeakPolarHBondContact O-CG 3.37Å; I907-K911 PolarHBondContact O-N 3.21Å |
| 908 | Q | 87.6 | Confident | 83.3 | Confident | 126 Ų | 126 | 110 Ų | 110 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.1 | -40.9 | 174.1 | -72.3 | -170 | 3.5 | 0 | 0 | 112.2 | E904 I910 K911 K912 | E904-Q908 PolarHBondContact O-N 3.21Å; Q908-I910 VanDerWaalsContact C-N 3.35Å; Q908-I910 PolarHBondContact O-N 3.06Å; Q908-K911 PolarHBondContact O-N 2.81Å; Q908-K912 PolarHBondContact O-N 3.47Å |
| 909 | S | 81.2 | Confident | 81.8 | Confident | 81 Ų | 81 | 112.1 Ų | 112.1 | 57% | 0.566 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.4 | -43.3 | 174.7 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | K905 K906 I907 K912 C913 | K905-S909 WeakPolarHBondContact O-CB 3.2Å; K905-S909 PolarHBondContact O-N 3.05Å; K906-S909 WeakPolarHBondContact O-CB 3.22Å; K906-S909 PolarHBondContact O-N 3.32Å; I907-S909 VanDerWaalsContact C-N 3.34Å; I907-S909 PolarHBondContact O-N 3.15Å; S909-K912 PolarHBondContact O-N 3.11Å; S909-C913 WeakPolarHBondContact O-CB 3.48Å; S909-C913 PolarHBondContact O-N 2.88Å |
| 910 | I | 87.2 | Confident | 79.9 | Confident | 95 Ų | 95 | 112 Ų | 112 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 174.6 | -66.4 | 163.6 | 0 | 0 | 0 | 111.2 | K906 I907 Q908 C913 K914 | K906-I910 HydrophobicContact CG-CD1 4.41Å; K906-I910 WeakPolarHBondContact O-CG1 3.32Å; K906-I910 PolarHBondContact O-N 3.19Å; I907-I910 PolarHBondContact O-N 2.79Å; Q908-I910 VanDerWaalsContact C-N 3.35Å; Q908-I910 PolarHBondContact O-N 3.06Å; I910-C913 PolarHBondContact O-N 3.03Å; I910-K914 PolarHBondContact O-N 3.47Å |
| 911 | K | 90.5 | Very high | 78 | Confident | 144 Ų | 144 | 111.7 Ų | 111.7 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.2 | -47.2 | 175.4 | -75 | -178.8 | 177.7 | -177.6 | 0 | 111.7 | I907 Q908 C913 K914 L915 | I907-K911 HydrophobicContact CG2-CD 4.33Å; I907-K911 WeakPolarHBondContact O-CG 3.37Å; I907-K911 PolarHBondContact O-N 3.21Å; Q908-K911 PolarHBondContact O-N 2.81Å; K911-C913 VanDerWaalsContact C-N 3.29Å; K911-C913 PolarHBondContact O-N 3.35Å; K911-K914 PolarHBondContact O-N 2.83Å; K911-L915 PolarHBondContact O-N 3.26Å |
| 912 | K | 84.6 | Confident | 75.9 | Confident | 170 Ų | 170 | 111.6 Ų | 111.6 | 74% | 0.739 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.5 | -37.5 | 173.8 | -83 | -172.3 | 172.8 | -179.4 | 0 | 112.5 | Q908 S909 L915 S916 | Q908-K912 PolarHBondContact O-N 3.47Å; S909-K912 PolarHBondContact O-N 3.11Å; K912-L915 PolarHBondContact O-N 3.18Å; K912-S916 PolarHBondContact O-N 3.11Å |
| 913 | C | 60.9 | Low | 73.7 | Confident | 65 Ų | 65 | 113.8 Ų | 113.8 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.2 | -38.2 | 177.3 | -167.1 | 0 | 0 | 0 | 0 | 113.1 | S909 I910 K911 S916 Q917 | S909-C913 WeakPolarHBondContact O-CB 3.48Å; S909-C913 PolarHBondContact O-N 2.88Å; I910-C913 PolarHBondContact O-N 3.03Å; K911-C913 VanDerWaalsContact C-N 3.29Å; K911-C913 PolarHBondContact O-N 3.35Å; C913-S916 PolarHBondContact O-OG 3.42Å; C913-Q917 WeakPolarHBondContact O-CG 3.42Å; C913-Q917 PolarHBondContact O-N 3.43Å |
| 914 | K | 82.8 | Confident | 71.5 | Confident | 124 Ų | 124 | 112.1 Ų | 112.1 | 54% | 0.539 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.7 | -43.9 | 170.5 | -80.1 | -168.1 | 172 | -171.1 | 0 | 111.3 | I910 K911 S916 Q917 Q918 | I910-K914 PolarHBondContact O-N 3.47Å; K911-K914 PolarHBondContact O-N 2.83Å; K914-S916 PolarHBondContact O-N 3.2Å; K914-Q917 PolarHBondContact O-N 3.5Å; K914-Q918 PolarHBondContact O-N 3.03Å |
| 915 | L | 80.9 | Confident | 69 | Low | 121 Ų | 121 | 110.7 Ų | 110.7 | 63% | 0.634 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62 | -42 | -177 | -146.6 | 81.1 | 0 | 0 | 0 | 112.6 | K911 K912 Q918 F919 | K911-L915 PolarHBondContact O-N 3.26Å; K912-L915 PolarHBondContact O-N 3.18Å; L915-Q918 PolarHBondContact O-N 3.46Å; L915-F919 PolarHBondContact O-N 3.46Å; L915-F919 VanDerWaalsContact O-N 3.09Å |
| 916 | S | 65.7 | Low | 66.6 | Low | 71 Ų | 71 | 111.8 Ų | 111.8 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.4 | -33.3 | 177.5 | 64.3 | 0 | 0 | 0 | 0 | 113 | K912 C913 K914 F919 V920 | K912-S916 PolarHBondContact O-N 3.11Å; C913-S916 PolarHBondContact O-OG 3.42Å; K914-S916 PolarHBondContact O-N 3.2Å; S916-F919 PolarHBondContact O-N 3.39Å; S916-V920 WeakPolarHBondContact O-CG2 3.48Å; S916-V920 PolarHBondContact O-N 2.6Å |
| 917 | Q | 54.7 | Low | 64.1 | Low | 102 Ų | 102 | 110.3 Ų | 110.3 | 48% | 0.477 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.7 | -41.7 | 172.1 | -69.3 | 173.6 | 23.3 | 0 | 0 | 111.6 | C913 K914 F919 V920 V921 | C913-Q917 WeakPolarHBondContact O-CG 3.42Å; C913-Q917 PolarHBondContact O-N 3.43Å; K914-Q917 PolarHBondContact O-N 3.5Å; Q917-F919 VanDerWaalsContact C-N 3.31Å; Q917-F919 PolarHBondContact O-N 3.45Å; Q917-V920 WeakPolarHBondContact O-CB 3.34Å; Q917-V920 PolarHBondContact O-N 3.49Å; Q917-V920 VanDerWaalsContact O-N 3.14Å; Q917-V921 PolarHBondContact O-N 3.24Å; Q917-V921 VanDerWaalsContact O-N 3.08Å |
| 918 | Q | 64.5 | Low | 61.4 | Low | 119 Ų | 119 | 110.8 Ų | 110.8 | 56% | 0.556 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.3 | -37.5 | 177.8 | -158.8 | 169.9 | 11.3 | 0 | 0 | 111.9 | K914 L915 V920 V921 N922 | K914-Q918 PolarHBondContact O-N 3.03Å; L915-Q918 PolarHBondContact O-N 3.46Å; Q918-V920 VanDerWaalsContact C-N 3.32Å; Q918-V920 PolarHBondContact O-N 3.03Å; Q918-V921 PolarHBondContact O-N 3.34Å; Q918-N922 PolarHBondContact O-N 2.93Å; Q918-N922 PolarHBondContact O-OD1 3.04Å |
| 919 | F | 58.3 | Low | 58.7 | Low | 161 Ų | 161 | 111 Ų | 111 | 71% | 0.706 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.1 | -34.2 | 174 | -149.6 | -83.3 | 0 | 0 | 0 | 112.9 | L915 S916 Q917 K923 | L915-F919 PolarHBondContact O-N 3.46Å; L915-F919 VanDerWaalsContact O-N 3.09Å; S916-F919 PolarHBondContact O-N 3.39Å; Q917-F919 VanDerWaalsContact C-N 3.31Å; Q917-F919 PolarHBondContact O-N 3.45Å; F919-K923 PolarHBondContact O-N 2.69Å |
| 920 | V | 50.9 | Low | 56.3 | Low | 91 Ų | 91 | 114.5 Ų | 114.5 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.3 | -41.6 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | S916 Q917 Q918 K923 I924 | S916-V920 WeakPolarHBondContact O-CG2 3.48Å; S916-V920 PolarHBondContact O-N 2.6Å; Q917-V920 WeakPolarHBondContact O-CB 3.34Å; Q917-V920 PolarHBondContact O-N 3.49Å; Q917-V920 VanDerWaalsContact O-N 3.14Å; Q918-V920 VanDerWaalsContact C-N 3.32Å; Q918-V920 PolarHBondContact O-N 3.03Å; V920-K923 PolarHBondContact O-N 3.35Å; V920-I924 HydrophobicContact CG1-CD1 4.37Å; V920-I924 PolarHBondContact O-N 2.99Å |
| 921 | V | 50.2 | Low | 53.5 | Low | 74 Ų | 74 | 116.4 Ų | 116.4 | 45% | 0.448 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.2 | -46.4 | 177.6 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | Q917 Q918 K923 I924 N925 | Q917-V921 PolarHBondContact O-N 3.24Å; Q917-V921 VanDerWaalsContact O-N 3.08Å; Q918-V921 PolarHBondContact O-N 3.34Å; V921-K923 PolarHBondContact O-N 3.22Å; V921-I924 WeakPolarHBondContact O-CB 3.39Å; V921-I924 PolarHBondContact O-N 3.35Å; V921-N925 PolarHBondContact O-N 3.44Å |
| 922 | N | 48.5 | Very low | 50.5 | Low | 87 Ų | 87 | 115.5 Ų | 115.5 | 47% | 0.465 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -60.2 | -33.1 | 178.5 | -71.5 | 6 | 0 | 0 | 0 | 112.4 | Q918 I924 N925 N926 | Q918-N922 PolarHBondContact O-N 2.93Å; Q918-N922 PolarHBondContact O-OD1 3.04Å; N922-I924 VanDerWaalsContact C-N 3.3Å; N922-I924 PolarHBondContact O-N 3.42Å; N922-N925 PolarHBondContact O-N 2.99Å; N922-N926 WeakPolarHBondContact O-CB 3.45Å; N922-N926 PolarHBondContact O-N 3.27Å |
| 923 | K | 43.9 | Very low | 47.9 | Very low | 158 Ų | 158 | 114.7 Ų | 114.7 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.9 | -24.4 | 177.2 | -157.9 | 167.8 | -172.5 | 173.8 | 0 | 113.3 | F919 V920 V921 T927 | F919-K923 PolarHBondContact O-N 2.69Å; V920-K923 PolarHBondContact O-N 3.35Å; V921-K923 PolarHBondContact O-N 3.22Å; K923-T927 PolarHBondContact O-OG1 2.91Å |
| 924 | I | 46.2 | Very low | 46.6 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 52% | 0.518 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -79.6 | -47.9 | 172.7 | -63.7 | 165.5 | 0 | 0 | 0 | 110 | V920 V921 N922 N926 T927 | V920-I924 HydrophobicContact CG1-CD1 4.37Å; V920-I924 PolarHBondContact O-N 2.99Å; V921-I924 WeakPolarHBondContact O-CB 3.39Å; V921-I924 PolarHBondContact O-N 3.35Å; N922-I924 VanDerWaalsContact C-N 3.3Å; N922-I924 PolarHBondContact O-N 3.42Å; I924-N926 VanDerWaalsContact C-N 3.3Å; I924-N926 PolarHBondContact O-N 3.08Å; I924-T927 PolarHBondContact O-N 3.14Å; I924-T927 PolarHBondContact O-OG1 3.21Å |
| 925 | N | 40.3 | Very low | 43.7 | Very low | 85 Ų | 85 | 118.7 Ų | 118.7 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -64.6 | -33.7 | -178.4 | -66.5 | 5.4 | 0 | 0 | 0 | 112.7 | V921 N922 T927 T928 | V921-N925 PolarHBondContact O-N 3.44Å; N922-N925 PolarHBondContact O-N 2.99Å; N925-T927 PolarHBondContact O-N 3.43Å; N925-T928 PolarHBondContact O-N 3.23Å; N925-T928 PolarHBondContact O-OG1 3.35Å |
| 926 | N | 39.7 | Very low | 41 | Very low | 139 Ų | 139 | 119.8 Ų | 119.8 | 74% | 0.743 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -2.8 | 175.7 | -73.4 | 13 | 0 | 0 | 0 | 114 | N922 I924 | N922-N926 WeakPolarHBondContact O-CB 3.45Å; N922-N926 PolarHBondContact O-N 3.27Å; I924-N926 VanDerWaalsContact C-N 3.3Å; I924-N926 PolarHBondContact O-N 3.08Å |
| 927 | T | 36.8 | Very low | 39.2 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 1.4 | 173.5 | 33.7 | 0 | 0 | 0 | 0 | 114.3 | K923 I924 N925 | K923-T927 PolarHBondContact O-OG1 2.91Å; I924-T927 PolarHBondContact O-N 3.14Å; I924-T927 PolarHBondContact O-OG1 3.21Å; N925-T927 PolarHBondContact O-N 3.43Å |
| 928 | T | 34.5 | Very low | 37.6 | Very low | 98 Ų | 98 | 130 Ų | 130 | 60% | 0.601 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -103.3 | -6.6 | -178.9 | 46.4 | 0 | 0 | 0 | 0 | 116 | N925 | N925-T928 PolarHBondContact O-N 3.23Å; N925-T928 PolarHBondContact O-OG1 3.35Å |
| 929 | N | 30.3 | Very low | 35.5 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -100.5 | 6.7 | -171.5 | -73.5 | 16.1 | 0 | 0 | 0 | 115.7 | ||
| 930 | N | 30.5 | Very low | 33.7 | Very low | 153 Ų | 153 | 129 Ų | 129 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -120.8 | 63.5 | -178.2 | -79.2 | -6.5 | 0 | 0 | 0 | 112.4 | ||
| 931 | T | 29 | Very low | 32.1 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | trans | -161.2 | 46.2 | 165.2 | -5.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 932 | T | 27.8 | Very low | 31 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | trans | -132.4 | 89.6 | 172.7 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 933 | N | 28.9 | Very low | 29.9 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | 169.8 | 106 | 146.6 | -89.2 | -12 | 0 | 0 | 0 | 110.5 | ||||
| 934 | N | 33.6 | Very low | 29.3 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 92% | 0.92 | 76% | 0.755 | S | S | * | * | trans | -178 | 114.9 | 133.4 | -95.8 | -8.8 | 0 | 0 | 0 | 108.2 | ||||
| 935 | S | 23.5 | Very low | 28.4 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -118.1 | 150.4 | -175.4 | 47.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 936 | N | 23.1 | Very low | 27.5 | Very low | 143 Ų | 143 | 148.2 Ų | 148.2 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 56.1 | 102.3 | 155.1 | -54.3 | -11.6 | 0 | 0 | 0 | 119 | ||||
| 937 | Q | 28.3 | Very low | 26.8 | Very low | 190 Ų | 190 | 149.8 Ų | 149.8 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | -168.4 | 115.8 | 126.3 | -100.5 | 159.5 | 28.9 | 0 | 0 | 107.4 | |||||
| 938 | F | 20.9 | Very low | 26.1 | Very low | 198 Ų | 198 | 151 Ų | 151 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | 91.2 | 149.9 | 69.6 | -105.9 | -83 | 0 | 0 | 0 | 114.3 | |||||
| 939 | I | 20.4 | Very low | 25.5 | Very low | 146 Ų | 146 | 153.6 Ų | 153.6 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | -102.2 | 141.3 | -160 | -61.9 | 153.7 | 0 | 0 | 0 | 111.1 | ||||
| 940 | S | 20.4 | Very low | 25.4 | Very low | 113 Ų | 113 | 154.8 Ų | 154.8 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -160 | 160.3 | 143.4 | -158.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 941 | Y | 17.9 | Very low | 25.1 | Very low | 206 Ų | 206 | 152.4 Ų | 152.4 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -91.2 | 163.1 | 174.2 | -73.9 | -114.1 | 0 | 0 | 0 | 111.1 | ||||
| 942 | H | 27.6 | Very low | 25 | Very low | 188 Ų | 188 | 152 Ų | 152 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | trans | -165.4 | 177.7 | 138.4 | -103 | -60.8 | 0 | 0 | 0 | 112.8 | ||||
| 943 | H | 23.4 | Very low | 24.8 | Very low | 177 Ų | 177 | 155.1 Ų | 155.1 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | trans | -96 | 165.4 | -155.6 | -92.4 | -96 | 0 | 0 | 0 | 117.2 | ||||
| 944 | P | 32.2 | Very low | 24.7 | Very low | 110 Ų | 110 | 155.5 Ų | 155.5 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | trans | -105.6 | 155.3 | 177.3 | 39.6 | -33.6 | 0 | 0 | 0 | 115.9 | ||||
| 945 | P | 27.4 | Very low | 24.3 | Very low | 116 Ų | 116 | 152.4 Ų | 152.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -113.5 | 128.6 | 155.1 | 34.8 | -23.6 | 0 | 0 | 0 | 111.6 | ||||
| 946 | K | 20.7 | Very low | 24.4 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | 61 | 111 | 84.3 | -73.6 | -169.5 | 176.8 | -176.4 | 0 | 116 | |||||
| 947 | L | 26.2 | Very low | 24.4 | Very low | 172 Ų | 172 | 154 Ų | 154 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | 163.5 | 151.5 | 152.2 | -89.8 | 169.4 | 0 | 0 | 0 | 107.4 | ||||
| 948 | N | 22.6 | Very low | 24.2 | Very low | 139 Ų | 139 | 152 Ų | 152 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | cis | -152.3 | 170 | -39.6 | -162.3 | 14.7 | 0 | 0 | 0 | 109.7 | ||||
| 949 | M | 20.6 | Very low | 24.3 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -39.3 | 141.5 | -179.7 | -60.5 | -66.2 | -174 | 0 | 0 | 117.4 | ||||
| 950 | N | 29.5 | Very low | 24.4 | Very low | 158 Ų | 158 | 148 Ų | 148 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | -165.5 | 160.4 | 105.9 | -97.4 | -15.1 | 0 | 0 | 0 | 113.7 | |||||
| 951 | S | 22.4 | Very low | 24.8 | Very low | 103 Ų | 103 | 149 Ų | 149 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -72.8 | 166.1 | 174.6 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 952 | T | 27.1 | Very low | 25.2 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | cis | -144.6 | 164.7 | 42.2 | 43.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 953 | Q | 24.5 | Very low | 25.1 | Very low | 188 Ų | 188 | 142.1 Ų | 142.1 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -54 | 138.9 | 173.2 | -60.6 | 150.3 | -64.4 | 0 | 0 | 113.3 | ||||
| 954 | D | 26.9 | Very low | 25.2 | Very low | 162 Ų | 162 | 140 Ų | 140 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | -144.1 | 162.4 | 122.2 | -147 | -21.7 | 0 | 0 | 0 | 108.8 | |||||
| 955 | S | 24.2 | Very low | 24.8 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -133.5 | 145 | -159.7 | 65.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 956 | G | 26.1 | Very low | 24.6 | Very low | 66 Ų | 66 | 142.6 Ų | 142.6 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | trans | 134.5 | 87.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 957 | Y | 22.8 | Very low | 24.6 | Very low | 212 Ų | 212 | 138.9 Ų | 138.9 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | cis | 54.8 | 123.4 | 42.9 | -73.3 | -56.1 | 0 | 0 | 0 | 111.6 | ||||
| 958 | L | 23.6 | Very low | 24.4 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | cis | -142 | 175.3 | 15.6 | -108.1 | 164 | 0 | 0 | 0 | 114 | ||||
| 959 | S | 23.5 | Very low | 24.3 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | trans | -27 | 138.1 | -176.5 | -58.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 960 | I | 23.4 | Very low | 24.3 | Very low | 166 Ų | 166 | 139 Ų | 139 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -74.7 | 121.8 | 142 | -62.4 | 165.4 | 0 | 0 | 0 | 106.9 | ||||
| 961 | D | 28.8 | Very low | 24 | Very low | 134 Ų | 134 | 140 Ų | 140 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | -119.2 | 113.3 | 169.9 | -148.8 | -26 | 0 | 0 | 0 | 109.6 | N963 | D961-N963 PolarHBondContact O-N 3.37Å; D961-N963 VanDerWaalsContact O-N 3.16Å | ||
| 962 | P | 25.6 | Very low | 24 | Very low | 108 Ų | 108 | 141 Ų | 141 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -91 | 68.2 | -169.9 | 36.5 | -36 | 0 | 0 | 0 | 112.4 | ||||
| 963 | N | 25.5 | Very low | 23.7 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | -150.3 | 101.5 | 166.1 | -92.4 | -46.1 | 0 | 0 | 0 | 111.1 | D961 | D961-N963 PolarHBondContact O-N 3.37Å; D961-N963 VanDerWaalsContact O-N 3.16Å | ||
| 964 | D | 26 | Very low | 23.6 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -151.9 | 130.3 | 148.6 | -132.5 | -25.4 | 0 | 0 | 0 | 111.5 | Y966 | D964-Y966 HydrophobicContact CB-CD2 4.39Å; D964-Y966 HydrophobicContact CB-CE2 4.42Å; D964-Y966 VanDerWaalsContact CG-CE2 3.44Å; D964-Y966 WeakPolarHBondContact OD1-CE2 3.19Å; D964-Y966 WeakPolarHBondContact OD2-CE2 3.43Å | ||
| 965 | T | 22.9 | Very low | 23.4 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | trans | -121.3 | 72.8 | -168.5 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | T967 | T965-T967 PolarHBondContact O-N 3.2Å; T965-T967 VanDerWaalsContact O-N 3.09Å | ||
| 966 | Y | 22.9 | Very low | 23.8 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 65% | 0.647 | 74% | 0.742 | S | S | * | * | trans | -82.4 | 89.2 | 177.7 | -81.7 | -80.1 | 0 | 0 | 0 | 112.5 | D964 Y968 | D964-Y966 HydrophobicContact CB-CD2 4.39Å; D964-Y966 HydrophobicContact CB-CE2 4.42Å; D964-Y966 VanDerWaalsContact CG-CE2 3.44Å; D964-Y966 WeakPolarHBondContact OD1-CE2 3.19Å; D964-Y966 WeakPolarHBondContact OD2-CE2 3.43Å; Y966-Y968 HydrophobicContact CD1-CE2 4.25Å; Y966-Y968 HydrophobicContact CG-CE2 4.4Å; Y966-Y968 PolarHBondContact O-N 2.89Å | ||
| 967 | T | 21.3 | Very low | 23.8 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | -58.4 | 111.4 | 153.4 | 44.1 | 0 | 0 | 0 | 0 | 109.7 | T965 | T965-T967 PolarHBondContact O-N 3.2Å; T965-T967 VanDerWaalsContact O-N 3.09Å | ||
| 968 | Y | 21.3 | Very low | 23.9 | Very low | 203 Ų | 203 | 143 Ų | 143 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | -92.7 | 107.7 | 163 | -90.9 | -88.5 | 0 | 0 | 0 | 109.9 | Y966 | Y966-Y968 HydrophobicContact CD1-CE2 4.25Å; Y966-Y968 HydrophobicContact CG-CE2 4.4Å; Y966-Y968 PolarHBondContact O-N 2.89Å | ||
| 969 | S | 21.4 | Very low | 24.3 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | -65.5 | 158 | 168.1 | 37.4 | 0 | 0 | 0 | 0 | 111.4 | E971 | S969-E971 PolarHBondContact O-N 3.27Š| ||
| 970 | I | 21.6 | Very low | 24.3 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 86% | 0.862 | 75% | 0.753 | S | S | * | * | trans | -72.7 | 110.1 | 176.6 | -59.4 | 164.7 | 0 | 0 | 0 | 108.4 | ||||
| 971 | E | 22.4 | Very low | 24.5 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -108.7 | 134 | 165.3 | -69.7 | -161.1 | 147.5 | 0 | 0 | 111.2 | S969 | S969-E971 PolarHBondContact O-N 3.27Š| ||
| 972 | T | 23.1 | Very low | 24.4 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | -91.6 | 127.4 | -175.7 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 973 | L | 21 | Very low | 24.4 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | -153.5 | 103.3 | 162.8 | -106.7 | 143.7 | 0 | 0 | 0 | 113.4 | ||||
| 974 | N | 20.7 | Very low | 24.4 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | trans | 61 | 143.8 | 136 | -68.9 | 8.8 | 0 | 0 | 0 | 124.9 | ||||
| 975 | H | 24.1 | Very low | 24.6 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | 93.7 | 146 | 140.6 | -75.8 | -36.5 | 0 | 0 | 0 | 121.1 | ||||
| 976 | P | 31.8 | Very low | 24.7 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | trans | -140.7 | 134 | -135 | 37.4 | -15.9 | 0 | 0 | 0 | 115.5 | ||||
| 977 | H | 25.8 | Very low | 24.8 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | -134 | 134.9 | 171.9 | -85.9 | -81.4 | 0 | 0 | 0 | 115.6 | ||||
| 978 | H | 25.7 | Very low | 25 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | -42.5 | 133.1 | 179.3 | -68.9 | -99.4 | 0 | 0 | 0 | 117 | ||||
| 979 | P | 32.5 | Very low | 25.1 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 168.9 | 138.8 | -12.6 | 31.6 | 0 | 0 | 0 | 112.7 | ||
| 980 | P | 23.3 | Very low | 25.6 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 170.7 | -168.4 | 35.9 | -36.8 | 0 | 0 | 0 | 115.2 | ||
| 981 | P | 27.4 | Very low | 25.7 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 155.5 | -166.6 | 35.3 | -36.6 | 0 | 0 | 0 | 115.5 | ||
| 982 | H | 26.7 | Very low | 25.8 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | -124.7 | 156.9 | 160.7 | -101.1 | -80.5 | 0 | 0 | 0 | 110.1 | ||||
| 983 | P | 25.2 | Very low | 25.7 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 156.8 | -159.7 | 31 | -36.3 | 0 | 0 | 0 | 114.8 | ||
| 984 | P | 26.2 | Very low | 25.7 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 154.6 | -177.4 | 32.7 | -36.6 | 0 | 0 | 0 | 113.6 | ||
| 985 | P | 29.6 | Very low | 25.5 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -76 | 165 | 169.1 | 33.7 | -35.6 | 0 | 0 | 0 | 112.3 | ||
| 986 | P | 25 | Very low | 25.5 | Very low | 125 Ų | 125 | 146 Ų | 146 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 158.3 | -177.4 | -20.5 | 33.7 | 0 | 0 | 0 | 114.7 | ||
| 987 | H | 25.7 | Very low | 24.8 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 138.5 | -176.1 | -74.6 | -104.6 | 0 | 0 | 0 | 114.3 | ||
| 988 | H | 24.7 | Very low | 24.6 | Very low | 187 Ų | 187 | 144.9 Ų | 144.9 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 127.3 | 154.4 | -83.8 | -69.4 | 0 | 0 | 0 | 110.2 | ||
| 989 | H | 24.3 | Very low | 24.3 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 121.4 | 157.9 | -92.1 | -85.8 | 0 | 0 | 0 | 110.2 | ||
| 990 | H | 30.5 | Very low | 23.7 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -66 | 165.7 | 151.7 | -87.6 | -61.6 | 0 | 0 | 0 | 109.6 | ||
| 991 | P | 25.1 | Very low | 23.6 | Very low | 93 Ų | 93 | 147.7 Ų | 147.7 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | cis | -152.5 | -172.7 | 36.9 | 44.8 | -24 | 0 | 0 | 0 | 118.4 | ||||
| 992 | H | 23 | Very low | 23.6 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | trans | 68.1 | 154.7 | 150.2 | -64.6 | -25.2 | 0 | 0 | 0 | 119.4 | ||||
| 993 | Q | 20.8 | Very low | 23.2 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | cis | -155.2 | 164.2 | -11.1 | -118.6 | 166.1 | 28.2 | 0 | 0 | 111.4 | ||||
| 994 | Q | 20.6 | Very low | 23 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | 42.5 | 114.1 | 151.1 | -66.6 | 151.9 | 13.2 | 0 | 0 | 119 | ||||
| 995 | Q | 17.7 | Very low | 22.8 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | 51.4 | 105.6 | 72.7 | -67.3 | -171.5 | -22.5 | 0 | 0 | 115.3 | |||||
| 996 | H | 24 | Very low | 22.4 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 87% | 0.87 | 75% | 0.751 | S | S | * | * | trans | -155.3 | 132.3 | 130 | -108.9 | -74.1 | 0 | 0 | 0 | 110.1 | ||||
| 997 | S | 17.6 | Very low | 22.3 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -125.7 | 128.6 | 179.8 | 55.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 998 | I | 21.1 | Very low | 22.1 | Very low | 145 Ų | 145 | 152.7 Ų | 152.7 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | trans | -161 | 119.9 | 172.4 | -95.6 | 139.1 | 0 | 0 | 0 | 104.5 | ||||
| 999 | S | 19 | Very low | 21.9 | Very low | 90 Ų | 90 | 151.3 Ų | 151.3 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | cis | 70 | 126.2 | 45.3 | 80.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1000 | Y | 19.9 | Very low | 21.8 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 74% | 0.737 | 74% | 0.74 | S | S | * | * | cis | -167.9 | 163.4 | -5 | -135.3 | -72.2 | 0 | 0 | 0 | 108 | ||||
| 1001 | Y | 20.6 | Very low | 21.3 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | trans | 73.9 | 145.8 | 163.5 | -66.8 | -65.8 | 0 | 0 | 0 | 121.8 | ||||
| 1002 | P | 27.5 | Very low | 21.1 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | trans | -115.5 | 159.8 | 173.1 | 41.7 | -31.8 | 0 | 0 | 0 | 114.6 | ||||
| 1003 | L | 19.3 | Very low | 21 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -158 | 162.9 | 157.9 | -85.1 | 113.8 | 0 | 0 | 0 | 107.1 | ||||
| 1004 | E | 20.8 | Very low | 21.1 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | cis | 174.3 | 119.7 | -36.4 | -114.5 | -165 | 162.1 | 0 | 0 | 106.4 | ||||
| 1005 | T | 22 | Very low | 21.2 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | 66.1 | -174.6 | 151.6 | 75.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1006 | I | 20.9 | Very low | 21.3 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | 70.5 | 92.6 | 177.3 | -52 | 171.7 | 0 | 0 | 0 | 114.1 | ||||
| 1007 | K | 22.3 | Very low | 21.2 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | 56.8 | 108 | 69 | -67.5 | -169.3 | 175.6 | -176.3 | 0 | 115.9 | |||||
| 1008 | K | 21.9 | Very low | 21.7 | Very low | 181 Ų | 181 | 148.5 Ų | 148.5 | 79% | 0.787 | 75% | 0.748 | S | S | * | * | trans | 179.6 | 125.6 | 134.7 | -97.4 | 160.8 | 176.8 | -172.8 | 0 | 108 | ||||
| 1009 | E | 21.7 | Very low | 21.8 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | 87.2 | 156.1 | 62.3 | -76 | 176.5 | 176.7 | 0 | 0 | 113.3 | |||||
| 1010 | S | 20.7 | Very low | 22.3 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | 59.9 | 119.7 | -170 | 47 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1011 | S | 21.5 | Very low | 22.5 | Very low | 98 Ų | 98 | 148.1 Ų | 148.1 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | cis | 81 | 160.7 | 34.7 | 87.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1012 | I | 20.9 | Very low | 22.5 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | 75.6 | 133.9 | 176.4 | -56.7 | 151.5 | 0 | 0 | 0 | 112.1 | ||||
| 1013 | N | 20.9 | Very low | 22.2 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | -139 | 161.8 | 7.6 | -141.7 | -7.1 | 0 | 0 | 0 | 113.5 | ||||
| 1014 | E | 22.4 | Very low | 22.3 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | trans | -76 | 170.6 | 156.7 | -58.9 | 179 | 126.9 | 0 | 0 | 110.7 | ||||
| 1015 | Q | 22.8 | Very low | 22.2 | Very low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | 153.5 | 169.6 | 124.4 | -81.3 | -177.3 | 11.1 | 0 | 0 | 113.1 | |||||
| 1016 | L | 19.6 | Very low | 22.2 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | 68 | 90.9 | 171 | -57 | 172.8 | 0 | 0 | 0 | 115 | ||||
| 1017 | N | 22.6 | Very low | 22.2 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | 64.9 | 97 | 51.4 | -161.1 | 9.6 | 0 | 0 | 0 | 114.3 | |||||
| 1018 | K | 27.3 | Very low | 22.1 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | -174.5 | 106.1 | 160.7 | -96.6 | 144.7 | -175.8 | 177.3 | 0 | 106.6 | ||||
| 1019 | N | 23.6 | Very low | 22.3 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | 83 | 150.2 | 80.9 | -88.8 | 2.5 | 0 | 0 | 0 | 115.1 | |||||
| 1020 | P | 30 | Very low | 22.7 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | trans | -113.9 | 166.8 | -147.5 | 41.7 | -34.5 | 0 | 0 | 0 | 116 | ||||
| 1021 | I | 22.8 | Very low | 23 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -167.2 | 116.1 | 163.4 | -98.9 | 144.2 | 0 | 0 | 0 | 104.7 | ||||
| 1022 | T | 20.5 | Very low | 23 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | 56.1 | 138 | 79.2 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1023 | T | 21.2 | Very low | 23.2 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | cis | -159.6 | 171 | 22 | -34.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1024 | T | 21.1 | Very low | 23.5 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 71.6 | 120 | 157 | -44.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1025 | V | 20.5 | Very low | 23.3 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | cis | 97.9 | 90 | 14.8 | -170.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 1026 | V | 20.9 | Very low | 23.5 | Very low | 96 Ų | 96 | 138.9 Ų | 138.9 | 58% | 0.582 | 77% | 0.771 | S | S | * | * | trans | 59.9 | 116.9 | 131.6 | -179 | 0 | 0 | 0 | 0 | 122 | K1028 | V1026-K1028 HydrophobicContact CG1-CD 4.46Å; V1026-K1028 HydrophobicContact CG1-CG 3.73Å | ||
| 1027 | Y | 21 | Very low | 23.5 | Very low | 229 Ų | 229 | 136.1 Ų | 136.1 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | -139.9 | 99.7 | 129.7 | -87 | -92.6 | 0 | 0 | 0 | 107.3 | |||||
| 1028 | K | 20.9 | Very low | 23.4 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | 67.8 | 106.9 | 85 | -80.1 | -175.9 | -179.7 | 179.8 | 0 | 115.8 | V1026 | V1026-K1028 HydrophobicContact CG1-CD 4.46Å; V1026-K1028 HydrophobicContact CG1-CG 3.73Å | |||
| 1029 | S | 26.2 | Very low | 23 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -132 | 149.7 | 143.1 | 56.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1030 | P | 29.8 | Very low | 22.9 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | trans | -110.8 | -171.9 | -168.4 | 48.7 | -39 | 0 | 0 | 0 | 111.2 | ||||
| 1031 | P | 25.7 | Very low | 22.5 | Very low | 109 Ų | 109 | 141 Ų | 141 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | -135.1 | -179.4 | -120.5 | 36.5 | -13.2 | 0 | 0 | 0 | 117.8 | |||||
| 1032 | S | 21.3 | Very low | 22.5 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 77.6 | 155 | 146.3 | 78 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1033 | S | 25.3 | Very low | 22.7 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 67.8 | 154.7 | 174.7 | 81.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 1034 | S | 27 | Very low | 22.8 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -142 | 139 | -3.8 | 50.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1035 | L | 20.2 | Very low | 23 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | 70.4 | 137.2 | 74 | -104.5 | 171.6 | 0 | 0 | 0 | 115.5 | |||||
| 1036 | K | 26.9 | Very low | 23 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | 73.6 | 125.2 | -172.4 | -52.8 | 174.7 | -175.4 | 174.8 | 0 | 114.1 | ||||
| 1037 | S | 19.5 | Very low | 23.1 | Very low | 97 Ų | 97 | 148.1 Ų | 148.1 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | cis | 88.4 | 126.5 | 19.6 | 90.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1038 | F | 19.5 | Very low | 23.1 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | trans | 69.4 | 130.6 | 171.9 | -80.9 | -102.1 | 0 | 0 | 0 | 118.2 | ||||
| 1039 | R | 19.9 | Very low | 23.2 | Very low | 217 Ų | 217 | 144.4 Ų | 144.4 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | trans | 43 | 130.6 | 148.4 | -59.3 | 174 | -174.4 | 166.7 | 1.3 | 118.1 | ||||
| 1040 | M | 20.9 | Very low | 22.9 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | cis | -124 | 145.5 | 23.9 | -76.8 | 169 | 43.9 | 0 | 0 | 113.5 | E1042 | M1040-E1042 HydrophobicContact CB-CB 4.41Å; M1040-E1042 HydrophobicContact CE-CB 3.94Å; M1040-E1042 HydrophobicContact CE-CG 4.3Å; M1040-E1042 WeakPolarHBondContact CE-OE2 3.17Å; M1040-E1042 PolarHBondContact O-N 2.85Å | ||
| 1041 | I | 22.2 | Very low | 22.6 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -89 | 93.7 | 157.2 | -63 | 166 | 0 | 0 | 0 | 105 | ||||
| 1042 | E | 22.3 | Very low | 22.3 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -130.2 | 105.8 | 171.2 | -164.7 | 157.5 | -111.8 | 0 | 0 | 107 | M1040 D1044 | M1040-E1042 HydrophobicContact CB-CB 4.41Å; M1040-E1042 HydrophobicContact CE-CB 3.94Å; M1040-E1042 HydrophobicContact CE-CG 4.3Å; M1040-E1042 WeakPolarHBondContact CE-OE2 3.17Å; M1040-E1042 PolarHBondContact O-N 2.85Å; E1042-D1044 PolarHBondContact O-N 2.81Å; E1042-D1044 VanDerWaalsContact O-N 3.09Å | ||
| 1043 | P | 24.7 | Very low | 22.4 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -71.2 | 106.4 | -175.5 | -21.6 | 34.4 | 0 | 0 | 0 | 112 | ||||
| 1044 | D | 23.6 | Very low | 22.1 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -55 | 162.6 | 147.3 | -126.3 | -35.1 | 0 | 0 | 0 | 110.3 | E1042 | E1042-D1044 PolarHBondContact O-N 2.81Å; E1042-D1044 VanDerWaalsContact O-N 3.09Å | ||
| 1045 | Q | 25.2 | Very low | 21.8 | Very low | 157 Ų | 157 | 157.8 Ų | 157.8 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 75.3 | 37.7 | -173.3 | -48.9 | -59.4 | -25 | 0 | 0 | 116.8 | F1047 | Q1045-F1047 PolarHBondContact O-N 3.48Å; Q1045-F1047 VanDerWaalsContact O-N 3.16Å | ||
| 1046 | L | 20.6 | Very low | 21.8 | Very low | 165 Ų | 165 | 155.8 Ų | 155.8 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -79.1 | 50.1 | 147.3 | -103.7 | 176 | 0 | 0 | 0 | 111.6 | ||||
| 1047 | F | 22.2 | Very low | 21.6 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | trans | -133.1 | 127.4 | 175.1 | -123.7 | -102.6 | 0 | 0 | 0 | 112 | Q1045 | Q1045-F1047 PolarHBondContact O-N 3.48Å; Q1045-F1047 VanDerWaalsContact O-N 3.16Å | ||
| 1048 | R | 21.1 | Very low | 21.7 | Very low | 221 Ų | 221 | 152.2 Ų | 152.2 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 45.8 | 90.4 | 168.7 | -61.7 | 175.4 | 179.9 | -139.3 | 1.1 | 114.6 | ||
| 1049 | S | 22.6 | Very low | 21.9 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | -172.4 | 73.5 | 78 | 39.7 | 0 | 0 | 0 | 0 | 113.6 | Q1051 | S1049-Q1051 PolarHBondContact O-N 3.02Š| |||
| 1050 | N | 20.9 | Very low | 22 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | trans | -71 | 66.2 | 157.2 | -92.7 | -34.4 | 0 | 0 | 0 | 110.7 | S1052 | N1050-S1052 PolarHBondContact O-N 3.22Š| ||
| 1051 | Q | 22.7 | Very low | 22.1 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -88.9 | 90.2 | 152.2 | -92.1 | -159.7 | -8.6 | 0 | 0 | 108.2 | S1049 L1053 | S1049-Q1051 PolarHBondContact O-N 3.02Å; Q1051-L1053 VanDerWaalsContact C-N 3.27Å; Q1051-L1053 PolarHBondContact O-N 3.04Å | ||
| 1052 | S | 20.4 | Very low | 22.3 | Very low | 84 Ų | 84 | 144.2 Ų | 144.2 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | trans | -71.7 | 77.3 | 177.3 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | N1050 | N1050-S1052 PolarHBondContact O-N 3.22Š| ||
| 1053 | L | 22 | Very low | 22.6 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | -86 | 112.1 | 136.6 | -72.7 | 100.9 | 0 | 0 | 0 | 105.2 | Q1051 | Q1051-L1053 VanDerWaalsContact C-N 3.27Å; Q1051-L1053 PolarHBondContact O-N 3.04Å | ||
| 1054 | Y | 20.2 | Very low | 22.5 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | cis | 43.8 | 69.7 | 38.3 | -72.3 | -66 | 0 | 0 | 0 | 110.7 | T1056 | Y1054-T1056 PolarHBondContact O-N 3.01Š| ||
| 1055 | Y | 20.6 | Very low | 22.4 | Very low | 219 Ų | 219 | 145.6 Ų | 145.6 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | 54.6 | 56.8 | 92.9 | -78.9 | -96.7 | 0 | 0 | 0 | 113.7 | |||||
| 1056 | T | 19.8 | Very low | 22.3 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -74.9 | 131.9 | 130.7 | 44.9 | 0 | 0 | 0 | 0 | 108.1 | Y1054 S1058 | Y1054-T1056 PolarHBondContact O-N 3.01Å; T1056-S1058 PolarHBondContact O-N 3.27Å | ||
| 1057 | P | 23.9 | Very low | 22.3 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | trans | -75.9 | 114.5 | -174.5 | 28.4 | -33.8 | 0 | 0 | 0 | 111.3 | L1059 | P1057-L1059 VanDerWaalsContact C-N 3.29Å; P1057-L1059 PolarHBondContact O-N 3.43Å | ||
| 1058 | S | 21 | Very low | 22.2 | Very low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -73.5 | 81.8 | 168.8 | 42.7 | 0 | 0 | 0 | 0 | 110.5 | T1056 S1060 | T1056-S1058 PolarHBondContact O-N 3.27Å; S1058-S1060 PolarHBondContact O-N 3.48Å | ||
| 1059 | L | 23.2 | Very low | 22.2 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -66.2 | 75.4 | 166.7 | -86.1 | 162.2 | 0 | 0 | 0 | 110.4 | P1057 L1061 | P1057-L1059 VanDerWaalsContact C-N 3.29Å; P1057-L1059 PolarHBondContact O-N 3.43Å; L1059-L1061 PolarHBondContact O-N 3.24Å | ||
| 1060 | S | 22.9 | Very low | 22.1 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | -79 | 50.8 | -176.8 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | S1058 S1062 | S1058-S1060 PolarHBondContact O-N 3.48Å; S1060-S1062 VanDerWaalsContact C-N 3.25Å; S1060-S1062 PolarHBondContact O-N 2.98Å | ||
| 1061 | L | 22.9 | Very low | 22 | Very low | 159 Ų | 159 | 152 Ų | 152 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -71.6 | 81.4 | 169.7 | -87.8 | 165.9 | 0 | 0 | 0 | 110.7 | L1059 | L1059-L1061 PolarHBondContact O-N 3.24Š| ||
| 1062 | S | 26.1 | Very low | 22 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -106.2 | 131.3 | 155 | 86.4 | 0 | 0 | 0 | 0 | 108.4 | S1060 | S1060-S1062 VanDerWaalsContact C-N 3.25Å; S1060-S1062 PolarHBondContact O-N 2.98Å | ||
| 1063 | P | 28.7 | Very low | 22 | Very low | 116 Ų | 116 | 154.1 Ų | 154.1 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | -134 | 161.4 | 114.7 | 36.5 | -28.4 | 0 | 0 | 0 | 113.3 | |||||
| 1064 | K | 21.8 | Very low | 22 | Very low | 217 Ų | 217 | 154.2 Ų | 154.2 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | trans | -74.2 | 129.6 | 174 | -60.6 | 162.2 | -176.9 | 167.5 | 0 | 109.4 | ||||
| 1065 | A | 22.8 | Very low | 22.2 | Very low | 102 Ų | 102 | 152.3 Ų | 152.3 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -125.9 | 114.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1066 | K | 22.6 | Very low | 22.4 | Very low | 205 Ų | 205 | 147.5 Ų | 147.5 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -86.9 | 146.3 | 165 | -79.3 | -177.1 | 176.6 | 178.1 | 0 | 108.8 | ||||
| 1067 | K | 20.1 | Very low | 22.6 | Very low | 205 Ų | 205 | 148 Ų | 148 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | 8.9 | 117 | 160.4 | -68.8 | -179.4 | 174.6 | 179.3 | 0 | 117.1 | ||||
| 1068 | L | 20.4 | Very low | 22.6 | Very low | 176 Ų | 176 | 150 Ų | 150 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -127.2 | 141 | 130.3 | -104 | 169.8 | 0 | 0 | 0 | 108.7 | ||||
| 1069 | K | 19.7 | Very low | 22.7 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -88.3 | 135.9 | 170.5 | -73.9 | -179.7 | 174.7 | -178.6 | 0 | 108 | ||||
| 1070 | I | 20.8 | Very low | 22.7 | Very low | 163 Ų | 163 | 154.8 Ų | 154.8 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -128.1 | 136.7 | 147.7 | -65.2 | -176.7 | 0 | 0 | 0 | 106.7 | ||||
| 1071 | Q | 19.6 | Very low | 22.7 | Very low | 173 Ų | 173 | 156.8 Ų | 156.8 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -94.8 | 121.4 | -179.5 | -69.5 | 158.1 | -94.3 | 0 | 0 | 110 | ||||
| 1072 | I | 22.7 | Very low | 22.9 | Very low | 160 Ų | 160 | 154.1 Ų | 154.1 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | trans | -129.2 | 84.2 | 149.7 | -56.7 | -179.6 | 0 | 0 | 0 | 103.5 | ||||
| 1073 | N | 20.5 | Very low | 22.9 | Very low | 139 Ų | 139 | 155.3 Ų | 155.3 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | 81.2 | 142.3 | 88.7 | -165.3 | 19 | 0 | 0 | 0 | 111.1 | |||||
| 1074 | N | 21.8 | Very low | 22.9 | Very low | 140 Ų | 140 | 159.8 Ų | 159.8 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -62.7 | 143.9 | -167.7 | -63 | -35.3 | 0 | 0 | 0 | 112.2 | ||||
| 1075 | N | 25.1 | Very low | 23.2 | Very low | 142 Ų | 142 | 151.7 Ų | 151.7 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -160.2 | 126.5 | 135.6 | -103.1 | -37.6 | 0 | 0 | 0 | 112.6 | ||||
| 1076 | N | 24.7 | Very low | 23.7 | Very low | 119 Ų | 119 | 153.3 Ų | 153.3 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | 61.8 | 93 | 143 | -54.1 | -27.3 | 0 | 0 | 0 | 120.5 | ||||
| 1077 | N | 22.4 | Very low | 24.2 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | 64.1 | 166.9 | 110.6 | -53.6 | -9.2 | 0 | 0 | 0 | 121.6 | |||||
| 1078 | H | 25.2 | Very low | 24.8 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | 71.4 | 92.1 | 165.2 | -62.4 | -70.5 | 0 | 0 | 0 | 119.7 | ||||
| 1079 | E | 23 | Very low | 25.6 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | 67.1 | 106.9 | 121.4 | -68 | 171.6 | 105.2 | 0 | 0 | 120 | L1081 | E1079-L1081 VanDerWaalsContact C-N 3.33Å; E1079-L1081 PolarHBondContact O-N 3.39Å | |||
| 1080 | K | 22.4 | Very low | 26.2 | Very low | 214 Ų | 214 | 142.4 Ų | 142.4 | 93% | 0.93 | 71% | 0.71 | S | S | * | * | trans | -65.4 | 85.5 | 158 | -63.9 | 171.3 | -177.5 | 168.6 | 0 | 110.4 | P1082 | K1080-P1082 WeakPolarHBondContact O-CD 3.48Š| ||
| 1081 | L | 23.2 | Very low | 26.6 | Very low | 148 Ų | 148 | 144 Ų | 144 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | trans | -95.8 | 96.6 | 168.3 | -102.5 | 171.2 | 0 | 0 | 0 | 111.7 | E1079 | E1079-L1081 VanDerWaalsContact C-N 3.33Å; E1079-L1081 PolarHBondContact O-N 3.39Å | ||
| 1082 | P | 27.2 | Very low | 27.3 | Very low | 104 Ų | 104 | 142 Ų | 142 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | trans | -75.4 | 135.7 | 171.1 | 32 | -34.2 | 0 | 0 | 0 | 110 | K1080 | K1080-P1082 WeakPolarHBondContact O-CD 3.48Š| ||
| 1083 | M | 26.7 | Very low | 27.9 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 65% | 0.645 | 68% | 0.681 | S | S | * | * | trans | 175.8 | 104.3 | 133 | -98.4 | -62 | 176.8 | 0 | 0 | 112.9 | S1085 Q1086 | M1083-S1085 WeakPolarHBondContact CB-OG 3.19Å; M1083-S1085 WeakPolarHBondContact CG-OG 3.48Å; M1083-S1085 PolarHBondContact O-N 3.15Å; M1083-S1085 VanDerWaalsContact O-N 3.15Å; M1083-S1085 WeakPolarHBondContact SD-CB 3.37Å; M1083-S1085 PolarHBondContact SD-OG 3.39Å; M1083-Q1086 PolarHBondContact O-N 3.22Å | ||
| 1084 | K | 27.7 | Very low | 28.5 | Very low | 210 Ų | 210 | 138.6 Ų | 138.6 | 91% | 0.913 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -0.4 | 159.9 | -89.9 | 173.9 | 177.5 | 162.8 | 0 | 113.4 | Q1086 | K1084-Q1086 VanDerWaalsContact C-N 3.29Š|
| 1085 | S | 28.8 | Very low | 28.8 | Very low | 47 Ų | 47 | 139.1 Ų | 139.1 | 33% | 0.329 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -69.1 | -24.3 | 169.6 | 73.1 | 0 | 0 | 0 | 0 | 113.1 | M1083 L1087 L1088 K1089 | M1083-S1085 WeakPolarHBondContact CB-OG 3.19Å; M1083-S1085 WeakPolarHBondContact CG-OG 3.48Å; M1083-S1085 PolarHBondContact O-N 3.15Å; M1083-S1085 VanDerWaalsContact O-N 3.15Å; M1083-S1085 WeakPolarHBondContact SD-CB 3.37Å; M1083-S1085 PolarHBondContact SD-OG 3.39Å; S1085-L1087 VanDerWaalsContact C-N 3.27Å; S1085-L1087 PolarHBondContact O-N 2.88Å; S1085-L1088 PolarHBondContact O-N 3.23Å; S1085-K1089 PolarHBondContact O-N 3.34Å |
| 1086 | Q | 32.5 | Very low | 29.1 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 64% | 0.64 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -51.3 | -43.4 | 178.5 | -81.9 | -75.2 | 5.8 | 0 | 0 | 112.5 | M1083 K1084 K1089 K1090 | M1083-Q1086 PolarHBondContact O-N 3.22Å; K1084-Q1086 VanDerWaalsContact C-N 3.29Å; Q1086-K1089 PolarHBondContact O-N 2.97Å; Q1086-K1090 WeakPolarHBondContact O-CB 3.41Å; Q1086-K1090 PolarHBondContact O-N 2.89Å |
| 1087 | L | 33.7 | Very low | 29.2 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -75.3 | -27 | -178.4 | -134.9 | 162 | 0 | 0 | 0 | 112.7 | S1085 R1091 | S1085-L1087 VanDerWaalsContact C-N 3.27Å; S1085-L1087 PolarHBondContact O-N 2.88Å; L1087-R1091 PolarHBondContact O-N 2.9Å |
| 1088 | L | 33.6 | Very low | 29.3 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 63% | 0.634 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -76.5 | -42.5 | 172.1 | -164.5 | 68.1 | 0 | 0 | 0 | 111.1 | S1085 K1090 R1091 Q1092 | S1085-L1088 PolarHBondContact O-N 3.23Å; L1088-K1090 PolarHBondContact O-N 2.94Å; L1088-R1091 PolarHBondContact O-N 3.39Å; L1088-Q1092 PolarHBondContact O-N 3.1Å |
| 1089 | K | 36.5 | Very low | 29.4 | Very low | 128 Ų | 128 | 147 Ų | 147 | 56% | 0.557 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -58.7 | -43 | 170.1 | -93.1 | -170.6 | 172.1 | -176.6 | 0 | 111.3 | S1085 Q1086 R1091 Q1092 M1093 | S1085-K1089 PolarHBondContact O-N 3.34Å; Q1086-K1089 PolarHBondContact O-N 2.97Å; K1089-R1091 PolarHBondContact O-N 3.01Å; K1089-Q1092 CarbonylContact O-C 3.56Å; K1089-Q1092 PolarHBondContact O-N 3.19Å; K1089-Q1092 VanDerWaalsContact O-N 3.12Å; K1089-M1093 WeakPolarHBondContact O-CB 3.28Å; K1089-M1093 PolarHBondContact O-N 2.82Å |
| 1090 | K | 31.7 | Very low | 29.5 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 64% | 0.635 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -60.4 | -33.9 | 177.1 | -152.3 | 168 | -169.2 | 174.6 | 0 | 112 | Q1086 L1088 I1094 | Q1086-K1090 WeakPolarHBondContact O-CB 3.41Å; Q1086-K1090 PolarHBondContact O-N 2.89Å; L1088-K1090 PolarHBondContact O-N 2.94Å; K1090-I1094 WeakPolarHBondContact O-CD1 3.36Å; K1090-I1094 VanDerWaalsContact O-CG1 3.28Å; K1090-I1094 WeakPolarHBondContact O-CG1 3.35Å; K1090-I1094 PolarHBondContact O-N 3.16Å; K1090-I1094 VanDerWaalsContact O-N 3.11Å |
| 1091 | R | 30.1 | Very low | 29.6 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 75% | 0.747 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -77 | -29.1 | 175.7 | -153.2 | 171.1 | -170.9 | 169.7 | 3.1 | 113.9 | L1087 L1088 K1089 | L1087-R1091 PolarHBondContact O-N 2.9Å; L1088-R1091 PolarHBondContact O-N 3.39Å; K1089-R1091 PolarHBondContact O-N 3.01Å |
| 1092 | Q | 33.8 | Very low | 29.7 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 61% | 0.612 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -74.5 | -39 | 168.3 | -72.3 | 178.7 | -44 | 0 | 0 | 111.9 | L1088 K1089 I1094 L1095 A1096 | L1088-Q1092 PolarHBondContact O-N 3.1Å; K1089-Q1092 CarbonylContact O-C 3.56Å; K1089-Q1092 PolarHBondContact O-N 3.19Å; K1089-Q1092 VanDerWaalsContact O-N 3.12Å; Q1092-I1094 PolarHBondContact O-N 3.5Å; Q1092-L1095 PolarHBondContact O-N 2.54Å; Q1092-L1095 VanDerWaalsContact O-N 3.15Å; Q1092-A1096 PolarHBondContact O-N 3.43Å |
| 1093 | M | 36.1 | Very low | 29.5 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 51% | 0.512 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -71.1 | -27.1 | -177 | -166.7 | -178.3 | -69 | 0 | 0 | 113 | K1089 A1096 R1097 | K1089-M1093 WeakPolarHBondContact O-CB 3.28Å; K1089-M1093 PolarHBondContact O-N 2.82Å; M1093-A1096 CarbonylContact O-C 3.27Å; M1093-A1096 PolarHBondContact O-N 2.66Å; M1093-R1097 WeakPolarHBondContact O-CB 3.46Å; M1093-R1097 WeakPolarHBondContact O-CG 3.37Å; M1093-R1097 PolarHBondContact O-N 3.48Å |
| 1094 | I | 32.2 | Very low | 29.3 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 63% | 0.631 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -69 | -37.2 | 169.7 | -72.7 | 165.6 | 0 | 0 | 0 | 111.2 | K1090 Q1092 A1096 R1097 | K1090-I1094 WeakPolarHBondContact O-CD1 3.36Å; K1090-I1094 VanDerWaalsContact O-CG1 3.28Å; K1090-I1094 WeakPolarHBondContact O-CG1 3.35Å; K1090-I1094 PolarHBondContact O-N 3.16Å; K1090-I1094 VanDerWaalsContact O-N 3.11Å; Q1092-I1094 PolarHBondContact O-N 3.5Å; I1094-A1096 VanDerWaalsContact C-N 3.34Å; I1094-R1097 PolarHBondContact O-N 2.96Å |
| 1095 | L | 28 | Very low | 29.3 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -71.1 | -29.4 | 171.7 | -88.4 | 162.6 | 0 | 0 | 0 | 112.5 | Q1092 R1097 | Q1092-L1095 PolarHBondContact O-N 2.54Å; Q1092-L1095 VanDerWaalsContact O-N 3.15Å; L1095-R1097 VanDerWaalsContact C-N 3.31Å; L1095-R1097 PolarHBondContact O-N 3.28Å |
| 1096 | A | 31.9 | Very low | 28.9 | Very low | 73 Ų | 73 | 151.2 Ų | 151.2 | 60% | 0.603 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 7.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q1092 M1093 I1094 | Q1092-A1096 PolarHBondContact O-N 3.43Å; M1093-A1096 CarbonylContact O-C 3.27Å; M1093-A1096 PolarHBondContact O-N 2.66Å; I1094-A1096 VanDerWaalsContact C-N 3.34Å |
| 1097 | R | 26.8 | Very low | 28.4 | Very low | 210 Ų | 210 | 151.8 Ų | 151.8 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 19.6 | -179.4 | -94 | -170.4 | 170.2 | -159 | -3 | 115.1 | M1093 I1094 L1095 | M1093-R1097 WeakPolarHBondContact O-CB 3.46Å; M1093-R1097 WeakPolarHBondContact O-CG 3.37Å; M1093-R1097 PolarHBondContact O-N 3.48Å; I1094-R1097 PolarHBondContact O-N 2.96Å; L1095-R1097 VanDerWaalsContact C-N 3.31Å; L1095-R1097 PolarHBondContact O-N 3.28Å |
| 1098 | R | 25.1 | Very low | 27.9 | Very low | 228 Ų | 228 | 151 Ų | 151 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -115.5 | 122.1 | 161 | -87.2 | -176.2 | 164.6 | 178.2 | -5.2 | 109.2 | ||
| 1099 | K | 27.6 | Very low | 27.3 | Very low | 193 Ų | 193 | 156.6 Ų | 156.6 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | 70.3 | 121.2 | -174.4 | -59.4 | -167.4 | 179.7 | -169.3 | 0 | 113 | ||||
| 1100 | L | 24.5 | Very low | 26.6 | Very low | 160 Ų | 160 | 155.3 Ų | 155.3 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | cis | 54.6 | 123.7 | 13.2 | -63.5 | 170.9 | 0 | 0 | 0 | 114.5 | ||||
| 1101 | S | 23.7 | Very low | 26.1 | Very low | 102 Ų | 102 | 156 Ų | 156 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | cis | -172.2 | 138.1 | 0 | 43 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1102 | I | 25.3 | Very low | 25.8 | Very low | 176 Ų | 176 | 151.8 Ų | 151.8 | 90% | 0.903 | 76% | 0.763 | S | S | * | * | trans | -144.6 | 141.3 | 156.7 | -95.5 | 149.5 | 0 | 0 | 0 | 106.4 | ||||
| 1103 | S | 22.7 | Very low | 25.2 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -91.6 | 148.4 | -165.8 | 45.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1104 | P | 24.2 | Very low | 24.4 | Very low | 126 Ų | 126 | 156.7 Ų | 156.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -77.1 | 127.7 | 167.8 | 31.6 | -31.9 | 0 | 0 | 0 | 110.2 | R1106 | P1104-R1106 PolarHBondContact O-N 2.93Š| ||
| 1105 | K | 26.3 | Very low | 24.1 | Very low | 204 Ų | 204 | 158.7 Ų | 158.7 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -84.8 | 109.7 | 166.5 | -80 | -172 | 174.2 | -177.4 | 0 | 109.7 | ||||
| 1106 | R | 20 | Very low | 23.9 | Very low | 222 Ų | 222 | 156.4 Ų | 156.4 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -90 | 127.4 | 165 | -169.6 | -177.4 | -168.4 | 180 | 5.5 | 107.7 | P1104 | P1104-R1106 PolarHBondContact O-N 2.93Š| ||
| 1107 | L | 23.4 | Very low | 23.5 | Very low | 148 Ų | 148 | 161.3 Ų | 161.3 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -139.8 | 96.1 | 177.5 | -131.8 | 171.4 | 0 | 0 | 0 | 109.2 | ||||
| 1108 | N | 22.5 | Very low | 23.4 | Very low | 127 Ų | 127 | 158.1 Ų | 158.1 | 68% | 0.679 | 80% | 0.795 | S | S | * | * | trans | -81.4 | 127.6 | 168 | -71.6 | 12.4 | 0 | 0 | 0 | 108.3 | ||||
| 1109 | R | 22.2 | Very low | 23.3 | Very low | 240 Ų | 240 | 150.2 Ų | 150.2 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -139.8 | 140.5 | 148.3 | -87.4 | -166.3 | 170.3 | -177.7 | -4.1 | 108.4 | ||||
| 1110 | S | 21.6 | Very low | 23.1 | Very low | 101 Ų | 101 | 149.8 Ų | 149.8 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -146.7 | 159.4 | -175.5 | 51 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1111 | N | 21 | Very low | 23.2 | Very low | 159 Ų | 159 | 153.3 Ų | 153.3 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | 73.7 | 84 | 166.4 | -54.2 | 3.7 | 0 | 0 | 0 | 118.2 | ||||
| 1112 | S | 22.5 | Very low | 23.1 | Very low | 111 Ų | 111 | 155.6 Ų | 155.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | -158.6 | 132.6 | 120.9 | 54.5 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 1113 | S | 20.9 | Very low | 23.2 | Very low | 102 Ų | 102 | 157.1 Ų | 157.1 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | cis | 76.8 | 77.2 | 29.6 | -165.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1114 | Y | 20.8 | Very low | 23.2 | Very low | 235 Ų | 235 | 157.1 Ų | 157.1 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | trans | -150.2 | 166.1 | 145.6 | -91.6 | -67.9 | 0 | 0 | 0 | 109.1 | ||||
| 1115 | H | 24.9 | Very low | 23.3 | Very low | 165 Ų | 165 | 158.9 Ų | 158.9 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -116.3 | 167.4 | -151.6 | -108.3 | -98.5 | 0 | 0 | 0 | 115.4 | ||||
| 1116 | T | 24.3 | Very low | 23 | Very low | 103 Ų | 103 | 157 Ų | 157 | 63% | 0.632 | 77% | 0.767 | S | S | * | * | trans | 62.4 | 128.9 | 155.2 | 47.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1117 | E | 23 | Very low | 23.1 | Very low | 177 Ų | 177 | 152.8 Ų | 152.8 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | 62 | 134.8 | 67.8 | -58.9 | 174.4 | 146.1 | 0 | 0 | 111.2 | |||||
| 1118 | D | 25.1 | Very low | 23.1 | Very low | 142 Ų | 142 | 152.2 Ų | 152.2 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | cis | -166.6 | 157.6 | 36.1 | -172.8 | 18.7 | 0 | 0 | 0 | 114.3 | ||||
| 1119 | S | 22.1 | Very low | 23.1 | Very low | 62 Ų | 62 | 153.1 Ų | 153.1 | 43% | 0.434 | 75% | 0.753 | S | S | . | * | trans | 57.4 | 131 | 151.1 | 77 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1120 | K | 25.1 | Very low | 23.1 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | 147.9 | 150.6 | 119.6 | -82.8 | 147.7 | -173.8 | 126.8 | 0 | 116.5 | |||||
| 1121 | R | 26.3 | Very low | 23 | Very low | 234 Ų | 234 | 159 Ų | 159 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | 60.5 | 114.7 | 170.3 | -74.9 | 178.3 | 167.9 | 172.3 | -3.6 | 115.5 | ||||
| 1122 | I | 21.7 | Very low | 23.1 | Very low | 151 Ų | 151 | 158.5 Ų | 158.5 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | cis | 59.8 | 98 | 40.5 | -44.2 | 176.4 | 0 | 0 | 0 | 113.3 | ||||
| 1123 | K | 27.2 | Very low | 23.1 | Very low | 207 Ų | 207 | 158.8 Ų | 158.8 | 90% | 0.9 | 76% | 0.757 | S | S | * | * | trans | -157.5 | 80.6 | 142.7 | -113.7 | -172.8 | -179.4 | -170.6 | 0 | 110.2 | ||||
| 1124 | S | 22.1 | Very low | 23.2 | Very low | 99 Ų | 99 | 162.3 Ų | 162.3 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | trans | -73.2 | 141.6 | 162.5 | 45.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1125 | H | 25.7 | Very low | 23.3 | Very low | 164 Ų | 164 | 157.5 Ų | 157.5 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -156 | 119.3 | 158.1 | -106 | 66.4 | 0 | 0 | 0 | 110.7 | ||||
| 1126 | F | 20.3 | Very low | 23.2 | Very low | 165 Ų | 165 | 157.7 Ų | 157.7 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | 72.8 | 127.3 | 142.8 | -82.4 | -124.1 | 0 | 0 | 0 | 122.2 | ||||
| 1127 | I | 23.3 | Very low | 23.2 | Very low | 133 Ų | 133 | 159.5 Ų | 159.5 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | 69.4 | 134.5 | 136.3 | -68.2 | -174.5 | 0 | 0 | 0 | 118.2 | ||||
| 1128 | Q | 22 | Very low | 23.2 | Very low | 135 Ų | 135 | 156.4 Ų | 156.4 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | cis | -165 | 163.2 | -21.7 | -125.6 | 171.7 | -58.2 | 0 | 0 | 109.1 | ||||
| 1129 | H | 22.8 | Very low | 23.1 | Very low | 147 Ų | 147 | 159.7 Ų | 159.7 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | trans | 38.1 | 89.9 | 160.9 | -59.6 | -61.5 | 0 | 0 | 0 | 119.6 | ||||
| 1130 | Y | 22 | Very low | 23.3 | Very low | 227 Ų | 227 | 165.5 Ų | 165.5 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -74.1 | 146.5 | 134.5 | -98.4 | -101.9 | 0 | 0 | 0 | 109.5 | ||||
| 1131 | W | 19.3 | Very low | 23.3 | Very low | 237 Ų | 237 | 163.7 Ų | 163.7 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -90.4 | 142.8 | 163 | -100.1 | 49.8 | 0 | 0 | 0 | 110 | ||||
| 1132 | I | 23 | Very low | 23.3 | Very low | 148 Ų | 148 | 158.6 Ų | 158.6 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -127.2 | 147.1 | 166.7 | -68 | 179.1 | 0 | 0 | 0 | 106.5 | ||||
| 1133 | P | 23.1 | Very low | 23.5 | Very low | 118 Ų | 118 | 157.5 Ų | 157.5 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -69.2 | 174.2 | -174.3 | -20.4 | 34.6 | 0 | 0 | 0 | 115.6 | ||||
| 1134 | E | 23 | Very low | 23.4 | Very low | 176 Ų | 176 | 154.6 Ų | 154.6 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -30.8 | 146.2 | -172.6 | -57.7 | -176.2 | 138.1 | 0 | 0 | 120.7 | ||
| 1135 | N | 23 | Very low | 23.5 | Very low | 134 Ų | 134 | 157.1 Ų | 157.1 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 42.8 | 90.5 | 142.5 | -66 | -23.4 | 0 | 0 | 0 | 119.3 | V1137 | N1135-V1137 PolarHBondContact O-N 3.35Š| ||
| 1136 | L | 23.3 | Very low | 23.6 | Very low | 169 Ų | 169 | 157.2 Ų | 157.2 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | 25.9 | 96.7 | 108 | -65.1 | 168.9 | 0 | 0 | 0 | 116.5 | |||||
| 1137 | V | 23.8 | Very low | 23.5 | Very low | 141 Ų | 141 | 155.4 Ų | 155.4 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -112.5 | 140.9 | 136.2 | 175.5 | 0 | 0 | 0 | 0 | 107.1 | N1135 K1139 | N1135-V1137 PolarHBondContact O-N 3.35Å; V1137-K1139 PolarHBondContact O-N 2.82Å | ||
| 1138 | S | 22.6 | Very low | 23.4 | Very low | 111 Ų | 111 | 159.6 Ų | 159.6 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -65.2 | 126.5 | -167.8 | 40.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1139 | K | 23.6 | Very low | 23.3 | Very low | 212 Ų | 212 | 161.5 Ų | 161.5 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | trans | -135.7 | 121.8 | 142.6 | -74.1 | -161.7 | 172.4 | -166.2 | 0 | 109 | V1137 | V1137-K1139 PolarHBondContact O-N 2.82Š| ||
| 1140 | Q | 25.4 | Very low | 23.2 | Very low | 184 Ų | 184 | 161.3 Ų | 161.3 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -132.4 | 152.4 | 163.4 | -176.8 | 170.1 | -12.7 | 0 | 0 | 106.3 | ||||
| 1141 | D | 26.5 | Very low | 23.2 | Very low | 145 Ų | 145 | 159.2 Ų | 159.2 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -77.6 | 132.8 | -147.8 | -48.4 | -87.2 | 0 | 0 | 0 | 115.7 | ||||
| 1142 | D | 26 | Very low | 23.6 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | 39.2 | 110.4 | 127.1 | -71.6 | 20.8 | 0 | 0 | 0 | 121 | |||||
| 1143 | N | 25.7 | Very low | 23.7 | Very low | 127 Ų | 127 | 152.6 Ų | 152.6 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | 74.8 | 125.7 | 127.3 | -51.8 | -32.5 | 0 | 0 | 0 | 121.2 | |||||
| 1144 | D | 26 | Very low | 23.8 | Very low | 147 Ų | 147 | 154.2 Ų | 154.2 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | 54.9 | 135 | 144.5 | -52.6 | -28.8 | 0 | 0 | 0 | 119.7 | ||||
| 1145 | L | 24.3 | Very low | 23.9 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | cis | -159.3 | 155.3 | 37.6 | -168.2 | 69.2 | 0 | 0 | 0 | 112.7 | ||||
| 1146 | H | 26 | Very low | 23.8 | Very low | 165 Ų | 165 | 152.9 Ų | 152.9 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -18.6 | 148.6 | 172.4 | -75.2 | -90.3 | 0 | 0 | 0 | 123 | ||||
| 1147 | L | 19.6 | Very low | 23.8 | Very low | 128 Ų | 128 | 152.7 Ų | 152.7 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | trans | 96.3 | 122.6 | 136.3 | -114.2 | 73.1 | 0 | 0 | 0 | 120.7 | ||||
| 1148 | R | 20.4 | Very low | 23.8 | Very low | 221 Ų | 221 | 155.3 Ų | 155.3 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 55.3 | 114.6 | 151.6 | -66.9 | 166.8 | -170.6 | -149.5 | 1.7 | 118.1 | ||||
| 1149 | Q | 21.1 | Very low | 23.6 | Very low | 175 Ų | 175 | 154.5 Ų | 154.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | -164.6 | 153.3 | 109.3 | -104.2 | 175.8 | 45.6 | 0 | 0 | 112.7 | |||||
| 1150 | L | 20.3 | Very low | 23.3 | Very low | 142 Ų | 142 | 154.8 Ų | 154.8 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | 21.4 | 152.1 | 134 | -55.5 | 169.3 | 0 | 0 | 0 | 119.9 | ||||
| 1151 | K | 21.9 | Very low | 23.1 | Very low | 184 Ų | 184 | 154.2 Ų | 154.2 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | cis | 179.5 | 137.1 | -12.4 | 174.2 | 174.8 | 179.3 | -179.1 | 0 | 105.7 | ||||
| 1152 | V | 28.1 | Very low | 22.9 | Very low | 130 Ų | 130 | 154.2 Ų | 154.2 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | -82.7 | 141.1 | -171 | 179.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1153 | P | 23.4 | Very low | 22.9 | Very low | 115 Ų | 115 | 155.5 Ų | 155.5 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -117.3 | 146.5 | 149.5 | 35.9 | -25.4 | 0 | 0 | 0 | 112.6 | ||||
| 1154 | L | 25.4 | Very low | 22.8 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -87.7 | 177.5 | 174.2 | -61.7 | 86.7 | 0 | 0 | 0 | 111.1 | ||||
| 1155 | P | 24.6 | Very low | 22.7 | Very low | 112 Ų | 112 | 154.3 Ų | 154.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | -147.4 | 167.1 | 95.6 | 42.1 | -28.1 | 0 | 0 | 0 | 116.3 | |||||
| 1156 | Q | 21.8 | Very low | 22.6 | Very low | 171 Ų | 171 | 154.5 Ų | 154.5 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | 71.1 | 146.9 | 164.7 | -49.3 | -164.1 | 2.6 | 0 | 0 | 118.6 | ||||
| 1157 | H | 22.9 | Very low | 22.4 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | cis | -168.7 | 127.9 | -42 | -124.4 | -73.3 | 0 | 0 | 0 | 107.5 | ||||
| 1158 | H | 23.4 | Very low | 22.7 | Very low | 196 Ų | 196 | 151.3 Ų | 151.3 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | trans | -178.9 | 150.9 | 138 | -96.9 | -60.7 | 0 | 0 | 0 | 109.8 | ||||
| 1159 | S | 18.8 | Very low | 22.9 | Very low | 93 Ų | 93 | 146.9 Ų | 146.9 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | trans | -109.5 | 149.3 | -171 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1160 | Y | 17.4 | Very low | 23.4 | Very low | 218 Ų | 218 | 143.4 Ų | 143.4 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -153.2 | 143.3 | 135.6 | -98.6 | -64.2 | 0 | 0 | 0 | 112.9 | ||||
| 1161 | Q | 22.2 | Very low | 23.4 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | 57.5 | 138.6 | 165 | -76.4 | 172.7 | -77.6 | 0 | 0 | 120.9 | ||||
| 1162 | I | 22.2 | Very low | 23.4 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -118.9 | 143.5 | 170.8 | -61.8 | 160.9 | 0 | 0 | 0 | 103.9 | T1164 | I1162-T1164 HydrophobicContact CG2-CG2 4.26Š| ||
| 1163 | D | 26.3 | Very low | 23.1 | Very low | 155 Ų | 155 | 144 Ų | 144 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -148.8 | 152.5 | 142.9 | -98.9 | -42.1 | 0 | 0 | 0 | 109.7 | ||||
| 1164 | T | 23.4 | Very low | 23 | Very low | 110 Ų | 110 | 144 Ų | 144 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | -121.6 | -170.3 | -169.2 | 47.8 | 0 | 0 | 0 | 0 | 111 | I1162 | I1162-T1164 HydrophobicContact CG2-CG2 4.26Š| ||
| 1165 | I | 24.1 | Very low | 22.9 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | 106.1 | 113.5 | 161.8 | -58.7 | 158.2 | 0 | 0 | 0 | 114.7 | ||||
| 1166 | D | 20.7 | Very low | 22.9 | Very low | 157 Ų | 157 | 144 Ų | 144 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | 46.2 | 157.6 | 144.1 | -51.6 | -13 | 0 | 0 | 0 | 121 | ||||
| 1167 | G | 21.7 | Very low | 22.9 | Very low | 65 Ų | 65 | 143 Ų | 143 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | cis | 121.1 | 87.2 | 2.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1168 | I | 25.6 | Very low | 23.1 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 82% | 0.821 | 76% | 0.763 | S | S | * | * | trans | -170.7 | 107.9 | 167.2 | -98.3 | 144.9 | 0 | 0 | 0 | 104.4 | ||||
| 1169 | V | 24.9 | Very low | 23 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 78% | 0.782 | 75% | 0.747 | S | S | * | * | 74.8 | 124.8 | 84.8 | 170.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1170 | P | 32.6 | Very low | 23.3 | Very low | 101 Ų | 101 | 141 Ų | 141 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | trans | -89.7 | 168.9 | -176.4 | 38.6 | -37.5 | 0 | 0 | 0 | 112.8 | ||||
| 1171 | D | 20.2 | Very low | 23.5 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | 175 | 148.6 | 114.7 | -97.5 | -21.1 | 0 | 0 | 0 | 115.6 | |||||
| 1172 | I | 20.8 | Very low | 23.5 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | 63.7 | 140 | 142.6 | -64.6 | 167.1 | 0 | 0 | 0 | 121.2 | ||||
| 1173 | E | 22.9 | Very low | 23.6 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | -66.2 | 146.4 | 179.1 | -52.6 | 165.8 | 137.4 | 0 | 0 | 113.6 | ||||
| 1174 | S | 20.5 | Very low | 23.4 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | -150 | 139.7 | 150.1 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1175 | I | 24.8 | Very low | 23.3 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 91% | 0.913 | 75% | 0.752 | S | S | * | * | trans | -99.2 | 117.7 | 176.5 | -61.9 | 163.9 | 0 | 0 | 0 | 107.8 | ||||
| 1176 | S | 22.9 | Very low | 23.3 | Very low | 86 Ų | 86 | 133.8 Ų | 133.8 | 60% | 0.601 | 76% | 0.758 | S | S | * | * | trans | -157.9 | 149.4 | 164.5 | 64.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1177 | E | 23.6 | Very low | 23.3 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | trans | 66.7 | 155.3 | 153.8 | -68.3 | 171.9 | -160.9 | 0 | 0 | 117.3 | ||||
| 1178 | K | 25.3 | Very low | 23.4 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | cis | -150.9 | 126.6 | -1.4 | -122.3 | 156.8 | -173.7 | 152.1 | 0 | 106.7 | ||||
| 1179 | S | 22.4 | Very low | 24.6 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | 81.3 | 135 | 94.9 | 74.4 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1180 | E | 23.9 | Very low | 24.5 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | 83.9 | 136.1 | 141.3 | -75.6 | 163.5 | -137 | 0 | 0 | 123.5 | ||||
| 1181 | L | 22.4 | Very low | 23.9 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | 74.9 | 117.3 | 147.7 | -68.5 | 162.3 | 0 | 0 | 0 | 122.5 | ||||
| 1182 | S | 23.1 | Very low | 24 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | 62.8 | 139.4 | 155.5 | 62.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1183 | S | 23.2 | Very low | 23.9 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | cis | -160 | 132 | -15.1 | 50.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 1184 | V | 22.5 | Very low | 24 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | 47.1 | 111.7 | 80.8 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1185 | T | 20.8 | Very low | 24.3 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | cis | -141.3 | 146.1 | 40.7 | 38.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1186 | I | 23.9 | Very low | 24.2 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 84% | 0.836 | 72% | 0.724 | S | S | * | * | trans | -146.7 | 139.7 | 130.6 | -74.9 | -159.6 | 0 | 0 | 0 | 107.6 | ||||
| 1187 | Q | 20.8 | Very low | 24.3 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | trans | -99.9 | 159.6 | 163.8 | -79 | -178.4 | -80.9 | 0 | 0 | 110.5 | A1189 | Q1187-A1189 PolarHBondContact O-N 2.78Š| ||
| 1188 | S | 24.8 | Very low | 24.1 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | trans | -44.7 | 129.5 | 166.7 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | P1190 | S1188-P1190 VanDerWaalsContact C-CD 3.45Š| ||
| 1189 | A | 50.2 | Low | 23.9 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | cis | 49.2 | 48.3 | 5.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q1187 | Q1187-A1189 PolarHBondContact O-N 2.78Š| ||
| 1190 | P | 23.6 | Very low | 23.8 | Very low | 79 Ų | 79 | 136 Ų | 136 | 51% | 0.513 | 75% | 0.747 | S | S | . | * | trans | -88.4 | 164.9 | 174.6 | 39.6 | -35.1 | 0 | 0 | 0 | 111.6 | S1188 | S1188-P1190 VanDerWaalsContact C-CD 3.45Š| ||
| 1191 | H | 20.4 | Very low | 23.8 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | trans | 66.2 | 153.1 | 159.3 | -62.1 | -51.2 | 0 | 0 | 0 | 117.7 | ||||
| 1192 | Y | 20.7 | Very low | 23.8 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | cis | -143.7 | 153 | -9.1 | -119 | -64.1 | 0 | 0 | 0 | 108.2 | ||||
| 1193 | Y | 20.2 | Very low | 23.8 | Very low | 199 Ų | 199 | 133.4 Ų | 133.4 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | trans | 10.7 | 153.2 | 146.9 | -81.6 | -135.3 | 0 | 0 | 0 | 120.8 | ||||
| 1194 | H | 24.9 | Very low | 23.7 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | cis | -173.6 | 138.6 | -14.1 | -158.3 | -74.6 | 0 | 0 | 0 | 106.5 | ||||
| 1195 | P | 25.3 | Very low | 23.8 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -80.9 | 126.3 | 178.7 | 30.6 | -33.2 | 0 | 0 | 0 | 112 | ||||
| 1196 | V | 23.6 | Very low | 23.8 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -142.1 | 139.7 | 163.9 | -179 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1197 | N | 24.3 | Very low | 24.1 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | -114.2 | 130.8 | -178 | 177.7 | 28.6 | 0 | 0 | 0 | 109.9 | ||||
| 1198 | I | 20.9 | Very low | 24.1 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -166.8 | 151.8 | 167 | -100.4 | 146.1 | 0 | 0 | 0 | 108.7 | ||||
| 1199 | D | 20.1 | Very low | 23.9 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | -79.8 | 153.8 | -161.6 | -57.8 | -89.9 | 0 | 0 | 0 | 118.3 | ||||
| 1200 | S | 20.6 | Very low | 22.5 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | 85.5 | 159.2 | 136.5 | 73.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1201 | V | 23.6 | Very low | 22.4 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | trans | 97.9 | 97.9 | 160.1 | -171.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1202 | L | 22.2 | Very low | 22.5 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | 74.3 | 118.7 | 140.9 | -61.7 | 171.8 | 0 | 0 | 0 | 124.6 | ||||
| 1203 | N | 23.1 | Very low | 22.5 | Very low | 113 Ų | 113 | 140 Ų | 140 | 60% | 0.604 | 75% | 0.75 | S | S | * | * | 76.5 | 116.8 | 124.4 | -72.8 | 33.1 | 0 | 0 | 0 | 126.1 | |||||
| 1204 | E | 21.8 | Very low | 22.6 | Very low | 164 Ų | 164 | 135 Ų | 135 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | 83.1 | 148.6 | 122.7 | -67.5 | 175.6 | 140.8 | 0 | 0 | 123.5 | |||||
| 1205 | S | 24.9 | Very low | 22.6 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | 73.7 | 85.6 | 166.7 | 48.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1206 | D | 21.1 | Very low | 22.5 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | 28.5 | 157.8 | 98.4 | -78.5 | 5.3 | 0 | 0 | 0 | 121 | |||||
| 1207 | P | 28.9 | Very low | 22.4 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 62% | 0.617 | 75% | 0.746 | S | S | * | * | cis | -145.5 | -160.6 | -18.6 | 37 | -14.4 | 0 | 0 | 0 | 114.6 | ||||
| 1208 | I | 20.8 | Very low | 22.4 | Very low | 150 Ų | 150 | 139 Ų | 139 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | 75.4 | 138.6 | 156.7 | -71.4 | 168.2 | 0 | 0 | 0 | 115.2 | ||||
| 1209 | Q | 20.5 | Very low | 22.6 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | cis | -152.8 | 166.7 | 14.1 | -148.8 | 161.4 | 9.7 | 0 | 0 | 113.2 | ||||
| 1210 | S | 20.9 | Very low | 22.5 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 62.2 | 146 | 155.1 | 45.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1211 | S | 21.6 | Very low | 22.7 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -157.4 | 160.1 | -7.2 | 47 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1212 | E | 22.7 | Very low | 22.5 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | -14.1 | 147.8 | 158.4 | -67.4 | 139.6 | -176 | 0 | 0 | 118.1 | ||||
| 1213 | Y | 20.6 | Very low | 22.6 | Very low | 212 Ų | 212 | 151.9 Ų | 151.9 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | cis | -132.9 | 139.7 | 47.4 | -78.1 | -96 | 0 | 0 | 0 | 114.3 | ||||
| 1214 | S | 22.5 | Very low | 22.5 | Very low | 92 Ų | 92 | 153.5 Ų | 153.5 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | 53.3 | 107.7 | 97.5 | -103.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 1215 | T | 24.1 | Very low | 22.6 | Very low | 112 Ų | 112 | 151.9 Ų | 151.9 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | 60.7 | 127.9 | 85.5 | 63.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1216 | D | 24.3 | Very low | 22.4 | Very low | 137 Ų | 137 | 153.4 Ų | 153.4 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | cis | -148.3 | 173.7 | 4.6 | -86.5 | -41.3 | 0 | 0 | 0 | 108.1 | ||||
| 1217 | L | 20.8 | Very low | 22.5 | Very low | 159 Ų | 159 | 152.6 Ų | 152.6 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | -175 | 106.5 | 63.2 | -83.9 | 166.2 | 0 | 0 | 0 | 111.1 | |||||
| 1218 | K | 23.9 | Very low | 22.1 | Very low | 210 Ų | 210 | 156.8 Ų | 156.8 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -152.2 | 84.3 | 159.8 | -80.4 | -163.1 | 179.6 | 173.8 | 0 | 112.3 | ||||
| 1219 | K | 25.1 | Very low | 22 | Very low | 209 Ų | 209 | 160.8 Ų | 160.8 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -158.1 | 64.8 | 167.6 | -119.2 | 169.2 | -167.7 | 174.5 | 0 | 115.3 | ||||
| 1220 | L | 19.3 | Very low | 22 | Very low | 159 Ų | 159 | 160 Ų | 160 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -136.3 | 99.5 | 154.2 | -87.8 | 179.4 | 0 | 0 | 0 | 109.9 | ||||
| 1221 | Y | 23 | Very low | 22.1 | Very low | 224 Ų | 224 | 160.7 Ų | 160.7 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | -138.4 | 116.5 | 155.5 | -115.5 | -87 | 0 | 0 | 0 | 108.3 | ||||
| 1222 | F | 20.5 | Very low | 22.2 | Very low | 197 Ų | 197 | 161 Ų | 161 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -102.9 | 107.8 | -175.1 | -148.7 | -84.6 | 0 | 0 | 0 | 107.9 | ||||
| 1223 | L | 23.8 | Very low | 22.2 | Very low | 148 Ų | 148 | 161 Ų | 161 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -105.9 | 101.1 | 177.1 | -81.7 | 174.1 | 0 | 0 | 0 | 111.4 | ||||
| 1224 | Q | 21.6 | Very low | 22.2 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | trans | 24.4 | 134.1 | 136.2 | -99.3 | -171 | -32.2 | 0 | 0 | 121.2 | ||||
| 1225 | N | 22.9 | Very low | 22.1 | Very low | 129 Ų | 129 | 163.2 Ų | 163.2 | 69% | 0.69 | 80% | 0.803 | S | S | * | * | 103.8 | 145.3 | 124.3 | -78.5 | -15.5 | 0 | 0 | 0 | 121.7 | |||||
| 1226 | L | 21.5 | Very low | 22.1 | Very low | 144 Ų | 144 | 164.4 Ų | 164.4 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | 74.6 | 80.9 | 161.1 | -65.1 | 172 | 0 | 0 | 0 | 120.1 | ||||
| 1227 | N | 22.7 | Very low | 22 | Very low | 138 Ų | 138 | 162.9 Ų | 162.9 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | 65 | 153.5 | 104.3 | -74.1 | -13.3 | 0 | 0 | 0 | 123.1 | |||||
| 1228 | Q | 20.9 | Very low | 22.2 | Very low | 184 Ų | 184 | 161.2 Ų | 161.2 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | 73.1 | 80.1 | 162.9 | -72.2 | 173.4 | 13.2 | 0 | 0 | 117.3 | ||||
| 1229 | W | 18.7 | Very low | 22.1 | Very low | 233 Ų | 233 | 159.3 Ų | 159.3 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | -13 | 135.5 | 124.4 | -101.2 | -59.8 | 0 | 0 | 0 | 114.7 | |||||
| 1230 | D | 21 | Very low | 21.9 | Very low | 151 Ų | 151 | 160.4 Ų | 160.4 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -134.4 | 167.3 | 132.3 | -145.6 | -20.1 | 0 | 0 | 0 | 110.8 | ||||
| 1231 | N | 22.7 | Very low | 22.1 | Very low | 122 Ų | 122 | 161 Ų | 161 | 65% | 0.652 | 79% | 0.79 | S | S | * | * | trans | -115.5 | 131.5 | -166.2 | -64.1 | -97.2 | 0 | 0 | 0 | 112.2 | ||||
| 1232 | S | 23.6 | Very low | 21.9 | Very low | 111 Ų | 111 | 159 Ų | 159 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | -175 | 127.9 | 119.1 | 36.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1233 | N | 22.4 | Very low | 22.1 | Very low | 162 Ų | 162 | 154.5 Ų | 154.5 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | 8.4 | 114.1 | 143.2 | -51.1 | -45.6 | 0 | 0 | 0 | 119 | ||||
| 1234 | S | 21.4 | Very low | 22 | Very low | 112 Ų | 112 | 153.2 Ų | 153.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | -154 | 115.9 | 107.9 | -164.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1235 | Y | 20.1 | Very low | 21.9 | Very low | 240 Ų | 240 | 152 Ų | 152 | 94% | 0.941 | 78% | 0.782 | S | S | * | * | trans | -84.9 | 112.6 | 160.4 | -102.9 | -104.5 | 0 | 0 | 0 | 107.3 | ||||
| 1236 | D | 24.7 | Very low | 22 | Very low | 136 Ų | 136 | 157 Ų | 157 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -115.1 | 144.9 | 159.1 | -157.3 | -5 | 0 | 0 | 0 | 109.9 | ||||
| 1237 | S | 21.5 | Very low | 22 | Very low | 106 Ų | 106 | 153.8 Ų | 153.8 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -105.1 | 88.2 | -161.5 | 61.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1238 | N | 24.5 | Very low | 22 | Very low | 124 Ų | 124 | 154.2 Ų | 154.2 | 66% | 0.663 | 79% | 0.788 | S | S | * | * | trans | -113.8 | 113.5 | 168.6 | -87.1 | -43.1 | 0 | 0 | 0 | 112.8 | Y1240 | N1238-Y1240 PolarHBondContact O-N 2.86Š| ||
| 1239 | Q | 22.2 | Very low | 22.2 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | 27.6 | 88.3 | 125.2 | -57.9 | -175.9 | -1.9 | 0 | 0 | 116.4 | |||||
| 1240 | Y | 21.8 | Very low | 22.4 | Very low | 232 Ų | 232 | 148.3 Ų | 148.3 | 91% | 0.91 | 78% | 0.779 | S | S | * | * | trans | -93.8 | 115.3 | 149.6 | -99.9 | -92.1 | 0 | 0 | 0 | 109.7 | N1238 | N1238-Y1240 PolarHBondContact O-N 2.86Š| ||
| 1241 | Q | 22.1 | Very low | 22.5 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 161.3 | 162.3 | -63.3 | 162.3 | -79.3 | 0 | 0 | 108.9 | P1243 | Q1241-P1243 WeakPolarHBondContact O-CD 3.48Š|
| 1242 | M | 19.9 | Very low | 22.6 | Very low | 182 Ų | 182 | 147.6 Ų | 147.6 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 129.2 | 170.9 | -59.1 | -160.5 | 78.7 | 0 | 0 | 111 | ||
| 1243 | P | 23.8 | Very low | 22.5 | Very low | 101 Ų | 101 | 150 Ų | 150 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 132.5 | 139.3 | -0.3 | 20.6 | 0 | 0 | 0 | 108.1 | Q1241 | Q1241-P1243 WeakPolarHBondContact O-CD 3.48Š|
| 1244 | T | 22.1 | Very low | 22.6 | Very low | 122 Ų | 122 | 153.7 Ų | 153.7 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | 70.1 | 81.8 | 79.1 | -47.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1245 | V | 20.4 | Very low | 22.7 | Very low | 122 Ų | 122 | 155.3 Ų | 155.3 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | trans | 29.3 | 110 | 130 | -173.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1246 | Y | 24.4 | Very low | 22.9 | Very low | 234 Ų | 234 | 149 Ų | 149 | 92% | 0.918 | 78% | 0.783 | S | S | * | * | -123 | 141.1 | 129.1 | -95.6 | -91.7 | 0 | 0 | 0 | 108.4 | |||||
| 1247 | A | 20.9 | Very low | 23 | Very low | 76 Ų | 76 | 145.6 Ų | 145.6 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | trans | -117.1 | 178.2 | 167 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1248 | I | 23.5 | Very low | 23.2 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 125.7 | 123 | 162.9 | -68.9 | 162 | 0 | 0 | 0 | 112.2 | ||||
| 1249 | N | 25.7 | Very low | 23.3 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 57.9 | 120.8 | 169.4 | -55.2 | -5.3 | 0 | 0 | 0 | 116.9 | ||||
| 1250 | D | 22.9 | Very low | 23.3 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | cis | 80.7 | 134.5 | 46.3 | -66.1 | -46.8 | 0 | 0 | 0 | 114.3 | ||||
| 1251 | G | 22.7 | Very low | 23.5 | Very low | 63 Ų | 63 | 139.6 Ų | 139.6 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | 102.9 | 78.8 | 171 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1252 | H | 25 | Very low | 23.7 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 91% | 0.907 | 76% | 0.762 | S | S | * | * | 155.4 | 148.3 | 114.7 | -82.8 | -68.9 | 0 | 0 | 0 | 113.7 | |||||
| 1253 | E | 21 | Very low | 23.8 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | -90.5 | 146.2 | -169.4 | -59.2 | 170.7 | 94.8 | 0 | 0 | 113.3 | ||||
| 1254 | Y | 24.6 | Very low | 24 | Very low | 239 Ų | 239 | 135.7 Ų | 135.7 | 94% | 0.937 | 76% | 0.763 | S | S | * | * | trans | -146.7 | 110.4 | 152.9 | -107.3 | -78.2 | 0 | 0 | 0 | 110.5 | ||||
| 1255 | N | 23.5 | Very low | 24.2 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -102.3 | 118.8 | 176.4 | -85.3 | -58.1 | 0 | 0 | 0 | 111 | ||||
| 1256 | A | 23.5 | Very low | 24.6 | Very low | 107 Ų | 107 | 132 Ų | 132 | 88% | 0.884 | 74% | 0.737 | S | S | * | * | trans | -163.2 | 131 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1257 | G | 27.1 | Very low | 25.1 | Very low | 65 Ų | 65 | 122.6 Ų | 122.6 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | trans | 139.9 | 41.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | N1259 | G1257-N1259 PolarHBondContact O-N 3.11Å; G1257-N1259 PolarHBondContact O-ND2 2.91Å | ||
| 1258 | E | 24.9 | Very low | 25.5 | Very low | 165 Ų | 165 | 124 Ų | 124 | 77% | 0.771 | 70% | 0.702 | S | S | * | * | trans | -55 | 108.7 | 178.8 | -65.5 | -172.1 | 144.5 | 0 | 0 | 112.5 | V1260 | E1258-V1260 PolarHBondContact O-N 2.82Š| ||
| 1259 | N | 27.1 | Very low | 25.9 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 68% | 0.679 | 70% | 0.701 | S | S | * | * | trans | -89.6 | 95 | 170.4 | -88 | -99.9 | 0 | 0 | 0 | 109.6 | G1257 A1261 | G1257-N1259 PolarHBondContact O-N 3.11Å; G1257-N1259 PolarHBondContact O-ND2 2.91Å; N1259-A1261 PolarHBondContact O-N 3.5Å | ||
| 1260 | V | 23.5 | Very low | 26.2 | Very low | 130 Ų | 130 | 120.3 Ų | 120.3 | 79% | 0.788 | 68% | 0.684 | S | S | * | * | trans | -67.2 | 91.1 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | E1258 | E1258-V1260 PolarHBondContact O-N 2.82Š| ||
| 1261 | A | 24.1 | Very low | 26.6 | Very low | 85 Ų | 85 | 116.5 Ų | 116.5 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 121.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | N1259 | N1259-A1261 PolarHBondContact O-N 3.5Š|
| 1262 | P | 26.2 | Very low | 27 | Very low | 89 Ų | 89 | 119.2 Ų | 119.2 | 58% | 0.578 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -67 | 145.6 | -177.2 | 27.2 | -34.5 | 0 | 0 | 0 | 111.7 | I1264 | P1262-I1264 PolarHBondContact O-N 3.39Š|
| 1263 | V | 23.8 | Very low | 27.5 | Very low | 137 Ų | 137 | 114.7 Ų | 114.7 | 83% | 0.83 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 129.3 | -175.9 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | I1265 | V1263-I1265 PolarHBondContact O-N 3.32Š|
| 1264 | I | 27.4 | Very low | 28 | Very low | 146 Ų | 146 | 112.6 Ų | 112.6 | 75% | 0.749 | 64% | 0.643 | S | S | * | * | trans | -88.9 | 91.4 | -179.3 | -57.9 | 172.5 | 0 | 0 | 0 | 108.8 | P1262 G1266 | P1262-I1264 PolarHBondContact O-N 3.39Å; I1264-G1266 PolarHBondContact O-N 3.43Å; I1264-G1266 VanDerWaalsContact O-N 3.12Å | ||
| 1265 | I | 26.7 | Very low | 28.4 | Very low | 148 Ų | 148 | 107.1 Ų | 107.1 | 76% | 0.759 | 63% | 0.63 | S | S | * | * | trans | -79.1 | 80.8 | 154.9 | -55.1 | 179.6 | 0 | 0 | 0 | 106.4 | V1263 | V1263-I1265 PolarHBondContact O-N 3.32Š| ||
| 1266 | G | 27.8 | Very low | 28.9 | Very low | 18 Ų | 18 | 103.5 Ų | 103.5 | 19% | 0.186 | 61% | 0.61 | C | S | . | * | trans | -77.9 | 147 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1264 N1268 | I1264-G1266 PolarHBondContact O-N 3.43Å; I1264-G1266 VanDerWaalsContact O-N 3.12Å; G1266-N1268 PolarHBondContact O-N 3.04Å | ||
| 1267 | P | 34.9 | Very low | 29.1 | Very low | 37 Ų | 37 | 104.1 Ų | 104.1 | 24% | 0.24 | 60% | 0.603 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | 49.8 | -178.3 | 34.6 | -37.6 | 0 | 0 | 0 | 112.4 | ||
| 1268 | N | 30.5 | Very low | 29.1 | Very low | 107 Ų | 107 | 111.6 Ų | 111.6 | 57% | 0.572 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -15.1 | -178.9 | -75.7 | 1.1 | 0 | 0 | 0 | 113.2 | G1266 D1270 T1271 | G1266-N1268 PolarHBondContact O-N 3.04Å; N1268-D1270 PolarHBondContact O-N 3.25Å; N1268-T1271 PolarHBondContact O-N 2.75Å; N1268-T1271 PolarHBondContact O-OG1 3.12Å; N1268-T1271 VanDerWaalsContact O-OG1 3.09Å |
| 1269 | D | 30.2 | Very low | 29.4 | Very low | 137 Ų | 137 | 111.4 Ų | 111.4 | 73% | 0.733 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -70 | -11.5 | 174.8 | -54.8 | -9 | 0 | 0 | 0 | 112.4 | T1271 | D1269-T1271 VanDerWaalsContact C-N 3.32Å; D1269-T1271 PolarHBondContact O-N 3.49Å |
| 1270 | D | 33 | Very low | 29.4 | Very low | 64 Ų | 64 | 110.1 Ų | 110.1 | 34% | 0.342 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -90.5 | 29.8 | 175.6 | -70.3 | -49.7 | 0 | 0 | 0 | 112.2 | K99 N1268 | K99-D1270 IonicContact NZ-OD1 3.47Å; K99-D1270 PolarHBondContact NZ-OD1 3.04Å; K99-D1270 IonicContact NZ-OD2 3.48Å; K99-D1270 PolarHBondContact NZ-OD2 2.99Å; N1268-D1270 PolarHBondContact O-N 3.25Å |
| 1271 | T | 31 | Very low | 29.3 | Very low | 80 Ų | 80 | 109.6 Ų | 109.6 | 49% | 0.491 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -121.6 | -6.3 | 170.8 | 51.3 | 0 | 0 | 0 | 0 | 116.4 | R116 N1268 D1269 | R116-T1271 VanDerWaalsContact NH2-CG2 3.3Å; N1268-T1271 PolarHBondContact O-N 2.75Å; N1268-T1271 PolarHBondContact O-OG1 3.12Å; N1268-T1271 VanDerWaalsContact O-OG1 3.09Å; D1269-T1271 VanDerWaalsContact C-N 3.32Å; D1269-T1271 PolarHBondContact O-N 3.49Å |
| 1272 | D | 32.3 | Very low | 29.2 | Very low | 120 Ų | 120 | 109.8 Ų | 109.8 | 64% | 0.642 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -83.2 | 142.7 | 163.8 | -63 | -34.1 | 0 | 0 | 0 | 108.7 | R79 | R79-D1272 PolarHBondContact NH2-O 3.06Š|
| 1273 | D | 35 | Very low | 29 | Very low | 101 Ų | 101 | 112 Ų | 112 | 54% | 0.54 | 62% | 0.623 | S | S | . | * | trans | 52.4 | 63.5 | 179.9 | -44.7 | -21.3 | 0 | 0 | 0 | 115.1 | R79 D1275 | R79-D1273 PolarHBondContact NH1-O 3Å; R79-D1273 PolarHBondContact NH2-O 3.08Å; D1273-D1275 PolarHBondContact O-N 3.38Å | ||
| 1274 | D | 31.5 | Very low | 28.9 | Very low | 117 Ų | 117 | 110 Ų | 110 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | trans | -78.8 | 56.6 | 146.7 | -107.4 | -16.1 | 0 | 0 | 0 | 108.6 | D1276 | D1274-D1276 PolarHBondContact O-N 2.95Š| ||
| 1275 | D | 31.8 | Very low | 28.5 | Very low | 123 Ų | 123 | 114 Ų | 114 | 66% | 0.658 | 62% | 0.622 | S | S | * | * | trans | -72.6 | 58 | 176.1 | -91.4 | -14.8 | 0 | 0 | 0 | 111.4 | D1273 V1277 | D1273-D1275 PolarHBondContact O-N 3.38Å; D1275-V1277 PolarHBondContact O-N 3.18Å | ||
| 1276 | D | 33.9 | Very low | 28.3 | Very low | 70 Ų | 70 | 114.2 Ų | 114.2 | 37% | 0.374 | 62% | 0.623 | S | S | . | * | trans | -72.2 | 75 | 160.6 | -120.7 | 44.8 | 0 | 0 | 0 | 106.7 | K70 R71 D1274 Y1278 | K70-D1276 IonicContact NZ-OD2 2.74Å; K70-D1276 PolarHBondContact NZ-OD2 3.45Å; R71-D1276 IonicContact NH2-OD1 3.7Å; R71-D1276 PolarHBondContact NH2-OD1 3.15Å; D1274-D1276 PolarHBondContact O-N 2.95Å; D1276-Y1278 PolarHBondContact O-N 3.41Å; D1276-Y1278 VanDerWaalsContact O-N 3.1Å | ||
| 1277 | V | 28.8 | Very low | 27.9 | Very low | 121 Ų | 121 | 121.3 Ų | 121.3 | 73% | 0.733 | 65% | 0.652 | S | S | * | * | trans | -51.5 | 117.2 | -177.1 | 174.9 | 0 | 0 | 0 | 0 | 109.9 | D1275 E1279 | D1275-V1277 PolarHBondContact O-N 3.18Å; V1277-E1279 PolarHBondContact O-N 2.62Å | ||
| 1278 | Y | 26.5 | Very low | 27.3 | Very low | 221 Ų | 221 | 125.2 Ų | 125.2 | 87% | 0.867 | 68% | 0.677 | S | S | * | * | trans | -75 | 91.2 | -177.3 | -103.4 | -100.8 | 0 | 0 | 0 | 110.9 | D1276 S1280 | D1276-Y1278 PolarHBondContact O-N 3.41Å; D1276-Y1278 VanDerWaalsContact O-N 3.1Å; Y1278-S1280 PolarHBondContact O-N 3.49Å | ||
| 1279 | E | 30.5 | Very low | 26.9 | Very low | 161 Ų | 161 | 126.8 Ų | 126.8 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | trans | -65.4 | 103.9 | 158.9 | -76.3 | -158.6 | 160.6 | 0 | 0 | 110.1 | V1277 S1281 | V1277-E1279 PolarHBondContact O-N 2.62Å; E1279-S1281 PolarHBondContact O-N 3.47Å; E1279-S1281 VanDerWaalsContact O-N 3.08Å | ||
| 1280 | S | 27.3 | Very low | 26.4 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | trans | -69.5 | 100.7 | 172.4 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | Y1278 S1282 | Y1278-S1280 PolarHBondContact O-N 3.49Å; S1280-S1282 VanDerWaalsContact C-N 3.27Å; S1280-S1282 PolarHBondContact O-N 3.26Å | ||
| 1281 | S | 22 | Very low | 26 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 84% | 0.839 | 71% | 0.711 | S | S | * | * | trans | -69.5 | 80.3 | 175.8 | 30 | 0 | 0 | 0 | 0 | 111.5 | E1279 | E1279-S1281 PolarHBondContact O-N 3.47Å; E1279-S1281 VanDerWaalsContact O-N 3.08Å | ||
| 1282 | S | 23.2 | Very low | 25.4 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 62% | 0.622 | 73% | 0.731 | S | S | * | * | trans | -120.1 | 70 | 174 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | S1280 S1284 | S1280-S1282 VanDerWaalsContact C-N 3.27Å; S1280-S1282 PolarHBondContact O-N 3.26Å; S1282-S1284 PolarHBondContact O-N 3.2Å | ||
| 1283 | T | 21 | Very low | 24.9 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | trans | -72.6 | 65.9 | 176.1 | 39.5 | 0 | 0 | 0 | 0 | 112.4 | Y1285 | T1283-Y1285 PolarHBondContact O-N 3.14Š| ||
| 1284 | S | 22.2 | Very low | 24.2 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | trans | -80.3 | 107.2 | 174.3 | 57.2 | 0 | 0 | 0 | 0 | 111.4 | S1282 I1286 | S1282-S1284 PolarHBondContact O-N 3.2Å; S1284-I1286 PolarHBondContact O-N 2.92Å | ||
| 1285 | Y | 18.5 | Very low | 23.7 | Very low | 229 Ų | 229 | 140.3 Ų | 140.3 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | trans | -57.4 | 118.4 | 166.4 | -92.3 | -113.6 | 0 | 0 | 0 | 110.6 | T1283 | T1283-Y1285 PolarHBondContact O-N 3.14Š| ||
| 1286 | I | 22.2 | Very low | 23.3 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -131.3 | 122.3 | 160.7 | -61.3 | -176.9 | 0 | 0 | 0 | 107.4 | S1284 | S1284-I1286 PolarHBondContact O-N 2.92Š| ||
| 1287 | Q | 20.6 | Very low | 22.7 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76 | 147.7 | 178.8 | -68.3 | -175.4 | -75.7 | 0 | 0 | 111.2 | V1289 | Q1287-V1289 PolarHBondContact O-N 3.03Š|
| 1288 | P | 21.7 | Very low | 22.3 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 117.2 | -179 | 28.4 | -34.5 | 0 | 0 | 0 | 111.6 | ||
| 1289 | V | 22.3 | Very low | 22 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -85 | 123.6 | 164.6 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | Q1287 P1291 | Q1287-V1289 PolarHBondContact O-N 3.03Å; V1289-P1291 WeakPolarHBondContact O-CD 3.45Å |
| 1290 | V | 19.8 | Very low | 21.6 | Very low | 119 Ų | 119 | 148 Ų | 148 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -100.3 | 113.4 | -177.7 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1291 | P | 23.5 | Very low | 21.4 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -80.6 | 143.8 | 161.6 | -6.1 | 25.7 | 0 | 0 | 0 | 110.1 | V1289 | V1289-P1291 WeakPolarHBondContact O-CD 3.45Š| ||
| 1292 | R | 18.9 | Very low | 21.4 | Very low | 242 Ų | 242 | 152 Ų | 152 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -99.4 | 143.8 | 179 | -75.8 | 176.9 | 168.4 | 172.1 | -5.2 | 112.4 | ||||
| 1293 | G | 21.1 | Very low | 21.3 | Very low | 63 Ų | 63 | 153.4 Ų | 153.4 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | trans | 81.9 | 160.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1294 | H | 21.9 | Very low | 21.3 | Very low | 191 Ų | 191 | 152 Ų | 152 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | cis | -152.6 | 164.9 | -13 | -104.6 | -54.2 | 0 | 0 | 0 | 109.7 | ||||
| 1295 | H | 20.8 | Very low | 21.3 | Very low | 167 Ų | 167 | 155 Ų | 155 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -62.3 | 145.3 | 173.2 | -71.9 | -109.7 | 0 | 0 | 0 | 111.6 | ||||
| 1296 | H | 22.8 | Very low | 21.5 | Very low | 195 Ų | 195 | 151.1 Ų | 151.1 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | trans | -152.3 | 148.5 | 131.3 | -106.9 | -74.7 | 0 | 0 | 0 | 110.2 | ||||
| 1297 | S | 20.3 | Very low | 21.5 | Very low | 108 Ų | 108 | 149.9 Ų | 149.9 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -106.4 | 138.2 | -177 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1298 | L | 20.6 | Very low | 21.6 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | trans | -132.7 | 148.1 | 166.8 | -63.7 | 167 | 0 | 0 | 0 | 105.7 | ||||
| 1299 | E | 21.3 | Very low | 21.6 | Very low | 165 Ų | 165 | 153.9 Ų | 153.9 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | cis | -157.3 | 174.5 | -9.6 | -127.5 | 170.6 | 178.8 | 0 | 0 | 109.1 | ||||
| 1300 | R | 22.5 | Very low | 21.7 | Very low | 236 Ų | 236 | 155.1 Ų | 155.1 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -118.9 | 129.8 | 173.4 | -80.6 | -172.4 | 179.5 | -178.9 | 0.8 | 112.1 | ||||
| 1301 | Y | 21.7 | Very low | 22.2 | Very low | 235 Ų | 235 | 154.6 Ų | 154.6 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | trans | -140.6 | 147.3 | 145.7 | -82.2 | -90.8 | 0 | 0 | 0 | 104.9 | ||||
| 1302 | G | 22 | Very low | 22.1 | Very low | 70 Ų | 70 | 156 Ų | 156 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | cis | 148.4 | 166.1 | 25.3 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1303 | S | 22.2 | Very low | 22.3 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | cis | -175.9 | 152.3 | -3.2 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1304 | S | 21.4 | Very low | 22.4 | Very low | 107 Ų | 107 | 154.5 Ų | 154.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 66.1 | 140.6 | 166.1 | -142 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1305 | L | 22.2 | Very low | 22.3 | Very low | 158 Ų | 158 | 155.9 Ų | 155.9 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | cis | 84.6 | 117.6 | 22.7 | -74.7 | 164 | 0 | 0 | 0 | 118.1 | ||||
| 1306 | L | 21.3 | Very low | 22.4 | Very low | 148 Ų | 148 | 154.7 Ų | 154.7 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -169.3 | 125.4 | 152.3 | -120.9 | 63.9 | 0 | 0 | 0 | 106.9 | ||||
| 1307 | N | 22 | Very low | 22.3 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | 55.6 | 144.6 | 91.7 | -63.8 | -46.5 | 0 | 0 | 0 | 116 | |||||
| 1308 | Q | 23.4 | Very low | 22.4 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 71% | 0.71 | 78% | 0.775 | S | S | * | * | cis | -164.6 | 135.9 | -5.1 | -107.8 | 164 | 40.3 | 0 | 0 | 107.9 | ||||
| 1309 | R | 20.9 | Very low | 22.7 | Very low | 219 Ų | 219 | 151 Ų | 151 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | 77.1 | 104.4 | 86.1 | -167.3 | -164.5 | -162.8 | 179.5 | 6.9 | 117.1 | |||||
| 1310 | L | 25.1 | Very low | 23 | Very low | 165 Ų | 165 | 148.5 Ų | 148.5 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | 163.9 | 147.4 | 138.1 | -91.8 | 157.8 | 0 | 0 | 0 | 113.9 | ||||
| 1311 | P | 30 | Very low | 23.2 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -117.7 | -179.6 | 171.5 | 42.3 | -31.9 | 0 | 0 | 0 | 114.3 | ||||
| 1312 | E | 22.3 | Very low | 23.4 | Very low | 151 Ų | 151 | 139 Ų | 139 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 154.3 | 153.7 | 130.9 | -165.2 | 50.6 | -124.8 | 0 | 0 | 115.3 | ||||
| 1313 | S | 22.9 | Very low | 23.7 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | trans | 69.4 | 101.4 | 155.1 | 56.5 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1314 | K | 23 | Very low | 24.2 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | 54 | 134.3 | 106.4 | -76.6 | 168.8 | -179.9 | 157.2 | 0 | 124.2 | |||||
| 1315 | R | 20.1 | Very low | 24.3 | Very low | 219 Ų | 219 | 141.2 Ų | 141.2 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | 117.3 | 126.4 | 121.6 | -97.3 | -177.7 | 165.4 | -161.4 | -2.4 | 121.3 | |||||
| 1316 | I | 22.1 | Very low | 24.4 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | 84.4 | 149.6 | 140.2 | -69.8 | 165.8 | 0 | 0 | 0 | 119.4 | ||||
| 1317 | A | 21.5 | Very low | 24.4 | Very low | 83 Ų | 83 | 139.8 Ų | 139.8 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | trans | -129.9 | -154.9 | -175 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1318 | M | 22.8 | Very low | 24.4 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | trans | 84.8 | 147.1 | -177 | -55.9 | -179.5 | 73 | 0 | 0 | 115.5 | ||||
| 1319 | N | 26.9 | Very low | 24.2 | Very low | 122 Ų | 122 | 142 Ų | 142 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | cis | -167.7 | 165.7 | -35.1 | -122.6 | 37.6 | 0 | 0 | 0 | 110.9 | ||||
| 1320 | D | 25.9 | Very low | 24.2 | Very low | 113 Ų | 113 | 142 Ų | 142 | 60% | 0.604 | 74% | 0.742 | S | S | * | * | trans | 67 | 119.4 | 143.5 | -59.6 | -23.7 | 0 | 0 | 0 | 126.2 | ||||
| 1321 | H | 28.4 | Very low | 24.3 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.787 | 74% | 0.735 | S | S | * | * | 87.7 | 142.6 | 123.1 | -69.3 | -25.5 | 0 | 0 | 0 | 126.6 | |||||
| 1322 | S | 24.9 | Very low | 24 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | 97.4 | 93.9 | 142.9 | 66.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1323 | T | 27.8 | Very low | 23.9 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | 31.4 | 168.2 | 107.4 | 58.8 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1324 | P | 34.3 | Very low | 24 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | cis | -144.7 | -172.6 | -40.4 | 40.6 | -21.9 | 0 | 0 | 0 | 116.1 | ||||
| 1325 | S | 22.6 | Very low | 24 | Very low | 99 Ų | 99 | 144 Ų | 144 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | 109.2 | 154 | 138.4 | 80.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 1326 | Q | 24.8 | Very low | 24.1 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | 74.3 | 153.2 | 162.5 | -53.9 | -167.6 | 42.9 | 0 | 0 | 120.6 | ||||
| 1327 | T | 21.3 | Very low | 24.1 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | cis | -168.1 | 158.4 | -36 | 41.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1328 | R | 20.8 | Very low | 24.1 | Very low | 238 Ų | 238 | 147.7 Ų | 147.7 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | trans | 67.7 | 159.4 | 154.1 | -81.3 | -177.1 | 173.8 | -178.5 | -1.8 | 118 | ||||
| 1329 | S | 20.3 | Very low | 24.1 | Very low | 86 Ų | 86 | 148.4 Ų | 148.4 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | cis | -167.6 | 169.6 | -12.9 | 43.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1330 | Y | 20.2 | Very low | 23.9 | Very low | 220 Ų | 220 | 150 Ų | 150 | 86% | 0.863 | 76% | 0.76 | S | S | * | * | trans | 91 | 116.8 | 166.3 | -71.3 | -76.8 | 0 | 0 | 0 | 120.4 | ||||
| 1331 | P | 26.7 | Very low | 24 | Very low | 110 Ų | 110 | 149.9 Ų | 149.9 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | trans | -117.1 | 162 | 168 | 40.4 | -30.4 | 0 | 0 | 0 | 114 | ||||
| 1332 | I | 24 | Very low | 23.6 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | trans | -125.4 | 153.7 | 159.8 | -65.5 | -177.5 | 0 | 0 | 0 | 108.7 | ||||
| 1333 | R | 21.6 | Very low | 23.4 | Very low | 195 Ų | 195 | 146 Ų | 146 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -124.1 | 177.8 | -164.2 | -67.9 | 176.7 | 173.4 | 178.6 | -2.3 | 112.6 | ||||
| 1334 | H | 24.4 | Very low | 23.2 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | trans | 80.5 | 144.5 | 158.2 | -57.7 | -69.7 | 0 | 0 | 0 | 116.2 | ||||
| 1335 | S | 23.5 | Very low | 22.6 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | cis | -163.8 | 162.9 | -14.5 | 43.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1336 | N | 20.9 | Very low | 22.5 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | trans | -50.8 | 153.9 | 170.6 | -44.4 | -27.4 | 0 | 0 | 0 | 113.5 | ||||
| 1337 | Y | 21.7 | Very low | 22.6 | Very low | 216 Ų | 216 | 140.4 Ų | 140.4 | 85% | 0.847 | 71% | 0.71 | S | S | * | * | -170.8 | 174.1 | 106 | -111.2 | -82.7 | 0 | 0 | 0 | 112.1 | |||||
| 1338 | H | 23.3 | Very low | 22.7 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 78% | 0.782 | 72% | 0.716 | S | S | * | * | trans | -80 | 159.7 | -175.8 | -66.5 | -100 | 0 | 0 | 0 | 113.5 | ||||
| 1339 | Q | 21.8 | Very low | 22.7 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 87% | 0.874 | 71% | 0.71 | S | S | * | * | 158.3 | 119.6 | 103.6 | -167.1 | 158.3 | -0.2 | 0 | 0 | 114.8 | |||||
| 1340 | I | 22.6 | Very low | 23 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | trans | -5.9 | 141.3 | 160.8 | -68.2 | 166 | 0 | 0 | 0 | 119.5 | ||||
| 1341 | P | 28 | Very low | 23.2 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | -91.2 | 164.5 | -170.3 | 38.1 | -39.5 | 0 | 0 | 0 | 116.1 | ||||
| 1342 | I | 20.9 | Very low | 23.1 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 62% | 0.621 | 72% | 0.721 | S | S | * | * | trans | -169.6 | 143.6 | 153.1 | -104.2 | 151.6 | 0 | 0 | 0 | 111.4 | H793 | H793-I1342 HydrophobicContact CB-CG2 4.3Š| ||
| 1343 | S | 20.8 | Very low | 23.6 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 49% | 0.49 | 71% | 0.711 | S | S | . | * | trans | 70.1 | 124.3 | 176.9 | -30.8 | 0 | 0 | 0 | 0 | 116.5 | H793 | H793-S1343 WeakPolarHBondContact CB-OG 3.45Å; H793-S1343 PolarHBondContact CD2-N 3.03Å | ||
| 1344 | K | 22.4 | Very low | 23.8 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 40% | 0.4 | 71% | 0.709 | S | S | . | * | cis | 76.9 | 110.3 | 32.6 | -54.7 | 178.1 | 167 | 173.8 | 0 | 114.2 | S791 N792 H793 | S791-K1344 VanDerWaalsContact CB-CG 3.49Å; S791-K1344 VanDerWaalsContact OG-CB 3.23Å; S791-K1344 WeakPolarHBondContact OG-CB 3.41Å; S791-K1344 WeakPolarHBondContact OG-CG 3.43Å; N792-K1344 HydrophobicContact CB-CB 3.51Å; N792-K1344 HydrophobicContact CB-CD 4.29Å; N792-K1344 WeakPolarHBondContact CB-O 3.29Å; N792-K1344 WeakPolarHBondContact O-CD 3.4Å; N792-K1344 PolarHBondContact O-NZ 3.33Å; H793-K1344 HydrophobicContact CB-CD 4.22Å; H793-K1344 WeakPolarHBondContact CD2-CD 3.48Å; H793-K1344 WeakPolarHBondContact CD2-CE 3.47Å | ||
| 1345 | L | 22.7 | Very low | 23.7 | Very low | 131 Ų | 131 | 129 Ų | 129 | 69% | 0.686 | 71% | 0.707 | S | S | * | * | trans | -164.4 | 170.1 | 161.9 | -115.4 | 168.2 | 0 | 0 | 0 | 111.3 | ||||
| 1346 | S | 20.1 | Very low | 23.7 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 62% | 0.622 | 71% | 0.712 | S | S | * | * | trans | -91 | 160.8 | -162 | 47.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 1347 | P | 26.9 | Very low | 23.8 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 51% | 0.506 | 72% | 0.715 | S | S | . | * | trans | -79.2 | 154.4 | -177.1 | 33.2 | -34.7 | 0 | 0 | 0 | 112.9 | ||||
| 1348 | S | 23.8 | Very low | 23.8 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | trans | -131.9 | 146.9 | 176.3 | 52.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 1349 | S | 20.3 | Very low | 23.7 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -30.9 | 142.2 | 171.8 | 52.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1350 | S | 25.8 | Very low | 23.9 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | -178 | 166.6 | 111.3 | 47.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1351 | F | 24.2 | Very low | 23.9 | Very low | 199 Ų | 199 | 126.5 Ų | 126.5 | 87% | 0.873 | 69% | 0.69 | S | S | * | * | trans | 68 | 97.5 | 168.2 | -73.7 | -77.4 | 0 | 0 | 0 | 121.5 | ||||
| 1352 | I | 24.8 | Very low | 23.6 | Very low | 155 Ų | 155 | 125.4 Ų | 125.4 | 80% | 0.795 | 68% | 0.678 | S | S | * | * | trans | -105.2 | 161.2 | 143.8 | -71.8 | 166.6 | 0 | 0 | 0 | 105.2 | ||||
| 1353 | P | 35.4 | Very low | 23.9 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 69% | 0.688 | S | S | * | * | cis | -123.6 | -176.5 | -0.2 | 31.8 | -11 | 0 | 0 | 0 | 114.3 | ||||
| 1354 | N | 25.9 | Very low | 24 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | -165.9 | 140 | 111.7 | -95.6 | 11.9 | 0 | 0 | 0 | 110.8 | |||||
| 1355 | D | 22.8 | Very low | 24.1 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | trans | 29.9 | 115.6 | 155.6 | -42.5 | -38.6 | 0 | 0 | 0 | 119.3 | ||||
| 1356 | H | 22.6 | Very low | 24 | Very low | 181 Ų | 181 | 132 Ų | 132 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | 55.7 | 105.2 | 57.8 | -64.3 | -75.7 | 0 | 0 | 0 | 115.5 | |||||
| 1357 | I | 22.7 | Very low | 24.1 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | 179.6 | 111.6 | 119.9 | -93.6 | 160.4 | 0 | 0 | 0 | 112.4 | |||||
| 1358 | Y | 23 | Very low | 23.9 | Very low | 225 Ų | 225 | 138.5 Ų | 138.5 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | 57.9 | 168.8 | 150.9 | -71 | -84.2 | 0 | 0 | 0 | 123.9 | ||||
| 1359 | Q | 20 | Very low | 23.7 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | trans | -155.2 | -167.8 | -157.3 | -167.7 | 172.8 | -9.3 | 0 | 0 | 108.1 | ||||
| 1360 | T | 25.8 | Very low | 23.8 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | trans | 82.9 | 144 | -176.6 | 74.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1361 | D | 23 | Very low | 23.5 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 52% | 0.524 | 75% | 0.745 | S | S | . | * | cis | -157 | 172.4 | -26.3 | -102.7 | -27.6 | 0 | 0 | 0 | 109.9 | ||||
| 1362 | D | 22.3 | Very low | 23.5 | Very low | 89 Ų | 89 | 145.7 Ų | 145.7 | 48% | 0.476 | 74% | 0.741 | S | S | . | * | trans | -67.5 | 139.8 | 179.9 | -55.3 | -93.5 | 0 | 0 | 0 | 113.4 | N271 | N271-D1362 WeakPolarHBondContact CB-OD2 3.33Å; N271-D1362 PolarHBondContact ND2-OD2 3.45Å | ||
| 1363 | D | 26.2 | Very low | 23.3 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | -127.9 | 133.8 | 170.3 | -155 | -7.2 | 0 | 0 | 0 | 112.1 | H1365 | D1363-H1365 PolarHBondContact O-N 3.35Š| ||
| 1364 | V | 23.3 | Very low | 22.5 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -84 | 117.9 | -165.6 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | S1366 | V1364-S1366 PolarHBondContact O-N 3.31Š| ||
| 1365 | H | 25.1 | Very low | 22.4 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | -65.7 | 78.9 | 169.7 | -95.5 | 32.8 | 0 | 0 | 0 | 112.4 | D1363 M1367 | D1363-H1365 PolarHBondContact O-N 3.35Å; H1365-M1367 PolarHBondContact O-N 3.36Å | ||
| 1366 | S | 20.8 | Very low | 22.3 | Very low | 96 Ų | 96 | 149 Ų | 149 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | trans | -65.5 | 98.6 | 159.3 | 52.7 | 0 | 0 | 0 | 0 | 108.7 | V1364 N1368 | V1364-S1366 PolarHBondContact O-N 3.31Å; S1366-N1368 PolarHBondContact O-N 3.09Å | ||
| 1367 | M | 22.3 | Very low | 22.2 | Very low | 176 Ų | 176 | 151 Ų | 151 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -65 | 102.6 | 177.4 | -106.2 | -166.3 | 159 | 0 | 0 | 110.4 | H1365 C1369 | H1365-M1367 PolarHBondContact O-N 3.36Å; M1367-C1369 PolarHBondContact O-N 3.38Å | ||
| 1368 | N | 21.7 | Very low | 22.1 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 68% | 0.684 | 77% | 0.766 | S | S | * | * | trans | -59.2 | 93 | -177.4 | -113 | -47.6 | 0 | 0 | 0 | 111.8 | S1366 Q1370 | S1366-N1368 PolarHBondContact O-N 3.09Å; N1368-Q1370 PolarHBondContact O-N 3.03Å | ||
| 1369 | C | 20.3 | Very low | 22.1 | Very low | 131 Ų | 131 | 150.1 Ų | 150.1 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | trans | -78.8 | 54.5 | 165.1 | -69.7 | 0 | 0 | 0 | 0 | 111.1 | M1367 R1371 | M1367-C1369 PolarHBondContact O-N 3.38Å; C1369-R1371 PolarHBondContact O-N 2.9Å | ||
| 1370 | Q | 21.4 | Very low | 22.3 | Very low | 155 Ų | 155 | 149.2 Ų | 149.2 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | -76.4 | 106.7 | 162.8 | -74.1 | -173.5 | -4.7 | 0 | 0 | 109.2 | N1368 | N1368-Q1370 PolarHBondContact O-N 3.03Š| ||
| 1371 | R | 21.2 | Very low | 22.1 | Very low | 215 Ų | 215 | 149.7 Ų | 149.7 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | 178.5 | 160.5 | 135 | -106.2 | 167.5 | 169.4 | 159.1 | -1.8 | 115.3 | C1369 | C1369-R1371 PolarHBondContact O-N 2.9Š| ||
| 1372 | F | 24.1 | Very low | 22.1 | Very low | 178 Ų | 178 | 154.8 Ų | 154.8 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | 63.7 | 72.9 | 164 | -58.8 | -56.1 | 0 | 0 | 0 | 118.3 | ||||
| 1373 | T | 19 | Very low | 22.2 | Very low | 130 Ų | 130 | 162.4 Ų | 162.4 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | -69.7 | 169.9 | 128.5 | 47.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1374 | S | 19.5 | Very low | 22 | Very low | 105 Ų | 105 | 162.2 Ų | 162.2 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | 72.5 | 110.3 | -179.6 | 75.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1375 | I | 23.4 | Very low | 21.9 | Very low | 172 Ų | 172 | 163.2 Ų | 163.2 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | -163.5 | 158.3 | 109.8 | -96.2 | 166.3 | 0 | 0 | 0 | 108 | |||||
| 1376 | E | 20.7 | Very low | 21.9 | Very low | 181 Ų | 181 | 161.5 Ų | 161.5 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -82.1 | 167.1 | -162.6 | -62.8 | -177.6 | 95.5 | 0 | 0 | 117 | M1378 | E1376-M1378 PolarHBondContact O-N 3.06Š| ||
| 1377 | Y | 21 | Very low | 22 | Very low | 224 Ų | 224 | 160.6 Ų | 160.6 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | trans | -67.1 | 88.1 | 164.2 | -92.7 | -101.5 | 0 | 0 | 0 | 112.4 | K1379 | Y1377-K1379 PolarHBondContact O-N 2.73Š| ||
| 1378 | M | 21.2 | Very low | 22.2 | Very low | 182 Ų | 182 | 160.5 Ų | 160.5 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -77.2 | 109.6 | 156.2 | -70.3 | -153.2 | 81.7 | 0 | 0 | 110.2 | E1376 | E1376-M1378 PolarHBondContact O-N 3.06Š| ||
| 1379 | K | 23.4 | Very low | 22.1 | Very low | 180 Ų | 180 | 162.3 Ų | 162.3 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -70.4 | 142.3 | 176 | -76.6 | 173 | -180 | 162.1 | 0 | 111.1 | Y1377 S1381 | Y1377-K1379 PolarHBondContact O-N 2.73Å; K1379-S1381 PolarHBondContact O-N 3.24Å; K1379-S1381 VanDerWaalsContact O-N 3.1Å | ||
| 1380 | P | 22.5 | Very low | 22.3 | Very low | 130 Ų | 130 | 162.8 Ų | 162.8 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | trans | -69.2 | 110.1 | -177.7 | 27.7 | -34.7 | 0 | 0 | 0 | 111.3 | ||||
| 1381 | S | 22.8 | Very low | 22.5 | Very low | 116 Ų | 116 | 160.7 Ų | 160.7 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -86.1 | 138.1 | 169.2 | 72.8 | 0 | 0 | 0 | 0 | 110.3 | K1379 R1383 | K1379-S1381 PolarHBondContact O-N 3.24Å; K1379-S1381 VanDerWaalsContact O-N 3.1Å; S1381-R1383 PolarHBondContact O-N 3.03Å | ||
| 1382 | K | 22.5 | Very low | 22.6 | Very low | 205 Ų | 205 | 157.9 Ų | 157.9 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -81.9 | 111.8 | -179.2 | -66.7 | 177.8 | -179.9 | 178.3 | 0 | 110.2 | ||||
| 1383 | R | 23.2 | Very low | 22.6 | Very low | 250 Ų | 250 | 159.4 Ų | 159.4 | 94% | 0.943 | 82% | 0.82 | S | S | * | * | trans | -131.8 | 127 | 151.1 | -146.3 | 169.4 | -169.4 | 164.3 | 2.5 | 109.5 | S1381 | S1381-R1383 PolarHBondContact O-N 3.03Š| ||
| 1384 | I | 22.9 | Very low | 22.9 | Very low | 149 Ų | 149 | 159.1 Ų | 159.1 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -101.3 | 154.3 | -175.2 | -57.8 | 169.9 | 0 | 0 | 0 | 107.9 | ||||
| 1385 | L | 22.2 | Very low | 23.2 | Very low | 142 Ų | 142 | 158.4 Ų | 158.4 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | 107.1 | 121.1 | 148.7 | -149.6 | 69 | 0 | 0 | 0 | 116.1 | ||||
| 1386 | N | 24.7 | Very low | 23.5 | Very low | 147 Ų | 147 | 154.1 Ų | 154.1 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | 49.9 | 117.9 | 163.6 | -53.9 | -5.7 | 0 | 0 | 0 | 117 | ||||
| 1387 | G | 23.3 | Very low | 24 | Very low | 77 Ų | 77 | 155.1 Ų | 155.1 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | cis | 108.1 | 109.2 | 19.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1388 | I | 25.2 | Very low | 24.4 | Very low | 173 Ų | 173 | 152.7 Ų | 152.7 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -149.5 | 143.4 | 165.5 | -97.1 | 160.4 | 0 | 0 | 0 | 105.6 | ||||
| 1389 | Q | 20.8 | Very low | 24.8 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -91 | 150.7 | 171.9 | -62.3 | 164.8 | -121.7 | 0 | 0 | 109.2 | ||||
| 1390 | D | 24.2 | Very low | 25 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | 167.8 | 161.9 | 112.4 | -86 | -23.5 | 0 | 0 | 0 | 114.6 | |||||
| 1391 | S | 25.1 | Very low | 25.1 | Very low | 111 Ų | 111 | 151.5 Ų | 151.5 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 48.5 | 90.9 | 158.4 | 59.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1392 | I | 24.2 | Very low | 25.2 | Very low | 157 Ų | 157 | 153.1 Ų | 153.1 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -27.2 | 133.7 | 142.9 | -61.7 | 160.2 | 0 | 0 | 0 | 112.7 | I1394 | I1392-I1394 HydrophobicContact CG2-CG1 4.18Š| ||
| 1393 | Y | 22.6 | Very low | 25.3 | Very low | 209 Ų | 209 | 152.2 Ų | 152.2 | 82% | 0.82 | 76% | 0.763 | S | S | * | * | trans | -102.4 | 134.8 | 170.7 | -162.9 | -90.4 | 0 | 0 | 0 | 109.7 | ||||
| 1394 | I | 25.8 | Very low | 25.4 | Very low | 125 Ų | 125 | 149 Ų | 149 | 64% | 0.641 | 76% | 0.758 | S | S | * | * | trans | -111.1 | 140.4 | -175.5 | -63.2 | 176.4 | 0 | 0 | 0 | 109.6 | I1392 P1396 | I1392-I1394 HydrophobicContact CG2-CG1 4.18Å; I1394-P1396 WeakPolarHBondContact O-CD 3.3Å | ||
| 1395 | D | 26.1 | Very low | 25.5 | Very low | 90 Ų | 90 | 147.2 Ų | 147.2 | 48% | 0.481 | 75% | 0.754 | S | S | . | * | trans | -66.6 | 123.8 | -178.1 | -171.8 | -35.3 | 0 | 0 | 0 | 110.8 | R1397 | D1395-R1397 PolarHBondContact O-N 3.29Å; D1395-R1397 WeakPolarHBondContact OD1-CG 3.12Å; D1395-R1397 PolarHBondContact OD1-N 3.43Å; D1395-R1397 IonicContact OD1-NE 2.74Å; D1395-R1397 PolarHBondContact OD1-NE 3.4Å; D1395-R1397 IonicContact OD2-NE 3.92Å; D1395-R1397 PolarHBondContact OD2-NE 3.45Å; D1395-R1397 IonicContact OD2-NH2 3.08Å | ||
| 1396 | P | 29.6 | Very low | 25.6 | Very low | 81 Ų | 81 | 147.2 Ų | 147.2 | 53% | 0.526 | 76% | 0.755 | S | S | . | * | G | 310 helix | trans | -62.3 | -5.5 | -173.6 | -26.9 | 36.1 | 0 | 0 | 0 | 117.8 | I1394 E1398 M1399 | I1394-P1396 WeakPolarHBondContact O-CD 3.3Å; P1396-E1398 VanDerWaalsContact C-N 3.27Å; P1396-E1398 PolarHBondContact O-N 3.17Å; P1396-M1399 WeakPolarHBondContact O-CB 3.12Å; P1396-M1399 PolarHBondContact O-N 2.88Å; P1396-M1399 VanDerWaalsContact O-N 3.08Å |
| 1397 | R | 31.6 | Very low | 25.5 | Very low | 202 Ų | 202 | 148.2 Ų | 148.2 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -61.6 | -28.9 | -173.8 | -70.1 | 175.6 | -141.2 | -132.2 | 4 | 114.7 | D1395 M1399 | D1395-R1397 PolarHBondContact O-N 3.29Å; D1395-R1397 WeakPolarHBondContact OD1-CG 3.12Å; D1395-R1397 PolarHBondContact OD1-N 3.43Å; D1395-R1397 IonicContact OD1-NE 2.74Å; D1395-R1397 PolarHBondContact OD1-NE 3.4Å; D1395-R1397 IonicContact OD2-NE 3.92Å; D1395-R1397 PolarHBondContact OD2-NE 3.45Å; D1395-R1397 IonicContact OD2-NH2 3.08Å; R1397-M1399 VanDerWaalsContact C-N 3.28Å; R1397-M1399 PolarHBondContact O-N 2.95Å |
| 1398 | E | 29.5 | Very low | 25.8 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -76.1 | -13.8 | 177.7 | -62.8 | -168.6 | 139.8 | 0 | 0 | 113.4 | P1396 N1400 | P1396-E1398 VanDerWaalsContact C-N 3.27Å; P1396-E1398 PolarHBondContact O-N 3.17Å; E1398-N1400 VanDerWaalsContact C-N 3.32Å; E1398-N1400 PolarHBondContact O-N 3.45Å |
| 1399 | M | 29.3 | Very low | 25.7 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 70% | 0.7 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -76.8 | -15.5 | -175.8 | -164.5 | 172.2 | -179.6 | 0 | 0 | 113.9 | P1396 R1397 M1401 | P1396-M1399 WeakPolarHBondContact O-CB 3.12Å; P1396-M1399 PolarHBondContact O-N 2.88Å; P1396-M1399 VanDerWaalsContact O-N 3.08Å; R1397-M1399 VanDerWaalsContact C-N 3.28Å; R1397-M1399 PolarHBondContact O-N 2.95Å; M1399-M1401 VanDerWaalsContact C-N 3.26Å; M1399-M1401 PolarHBondContact O-N 2.79Å |
| 1400 | N | 27.1 | Very low | 26 | Very low | 152 Ų | 152 | 148.9 Ų | 148.9 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -76.8 | -0.5 | -172.6 | -84.7 | -20.6 | 0 | 0 | 0 | 115.4 | E1398 | E1398-N1400 VanDerWaalsContact C-N 3.32Å; E1398-N1400 PolarHBondContact O-N 3.45Å |
| 1401 | M | 23.9 | Very low | 25.9 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -87.7 | -8.5 | -175.9 | -136.8 | -179.4 | 77.8 | 0 | 0 | 115.4 | M1399 | M1399-M1401 VanDerWaalsContact C-N 3.26Å; M1399-M1401 PolarHBondContact O-N 2.79Å |
| 1402 | I | 24.8 | Very low | 25.7 | Very low | 149 Ų | 149 | 153 Ų | 153 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -140.3 | 54.4 | -176.2 | -35.9 | 179 | 0 | 0 | 0 | 114.2 | ||
| 1403 | K | 25.3 | Very low | 25.6 | Very low | 187 Ų | 187 | 156 Ų | 156 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -143 | 59.8 | 160.5 | -74.4 | -159.4 | 177.7 | 179.8 | 0 | 113.8 | ||||
| 1404 | Q | 25.8 | Very low | 25.5 | Very low | 182 Ų | 182 | 151.8 Ų | 151.8 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | -93.5 | 128.8 | 157.5 | -70.1 | -174.2 | -6.3 | 0 | 0 | 109.9 | ||||
| 1405 | T | 24.2 | Very low | 25.4 | Very low | 111 Ų | 111 | 153.5 Ų | 153.5 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | trans | 24.9 | 138.1 | 144.4 | 58.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1406 | N | 25.1 | Very low | 25.1 | Very low | 142 Ų | 142 | 156.1 Ų | 156.1 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | cis | -163.9 | 150.5 | 0.1 | -98.3 | -22.3 | 0 | 0 | 0 | 109.2 | ||||
| 1407 | L | 23.1 | Very low | 24.7 | Very low | 168 Ų | 168 | 163.2 Ų | 163.2 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | trans | -107.3 | 128 | 162.8 | -89.5 | 85.4 | 0 | 0 | 0 | 110.8 | ||||
| 1408 | P | 27.6 | Very low | 24.3 | Very low | 122 Ų | 122 | 159.3 Ų | 159.3 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -98.4 | 141.4 | 159.1 | 34.6 | -28 | 0 | 0 | 0 | 111.6 | ||||
| 1409 | N | 23.8 | Very low | 24 | Very low | 143 Ų | 143 | 158.5 Ų | 158.5 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | -84.7 | 152.6 | 171.5 | -64.9 | -64 | 0 | 0 | 0 | 111.2 | ||||
| 1410 | H | 27.4 | Very low | 23.6 | Very low | 166 Ų | 166 | 156 Ų | 156 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | 177.8 | 138 | 123.9 | -96.4 | -58.7 | 0 | 0 | 0 | 116.5 | |||||
| 1411 | N | 22.8 | Very low | 23.5 | Very low | 124 Ų | 124 | 155.2 Ų | 155.2 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | trans | 62.3 | 110.2 | 136.5 | -58.7 | -9.3 | 0 | 0 | 0 | 124.3 | ||||
| 1412 | R | 19.2 | Very low | 23.5 | Very low | 215 Ų | 215 | 152.3 Ų | 152.3 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | 47.5 | 122.5 | 119.8 | -65.8 | 178.6 | 171.4 | 173.6 | -2.9 | 121.7 | |||||
| 1413 | Y | 23.2 | Very low | 23.4 | Very low | 219 Ų | 219 | 152.3 Ų | 152.3 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | 173.4 | 114.8 | 119.6 | -93.8 | -70.8 | 0 | 0 | 0 | 106 | |||||
| 1414 | V | 21.1 | Very low | 23.3 | Very low | 120 Ų | 120 | 151 Ų | 151 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 67.7 | 103.5 | 53 | -172.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 1415 | I | 22.1 | Very low | 23.1 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -177.3 | 145.2 | 131.2 | -95.5 | 159.7 | 0 | 0 | 0 | 110.3 | ||||
| 1416 | N | 21.4 | Very low | 23 | Very low | 145 Ų | 145 | 153.4 Ų | 153.4 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | -105.7 | 154.6 | 178 | -67.2 | -35.6 | 0 | 0 | 0 | 112.2 | ||||
| 1417 | R | 21 | Very low | 23 | Very low | 229 Ų | 229 | 152.6 Ų | 152.6 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | 164.1 | 123.1 | 135.5 | -88.9 | 161 | -156.1 | -129.9 | 4.8 | 109.4 | ||||
| 1418 | T | 22.7 | Very low | 22.9 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | 49.4 | 133.2 | 85.7 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1419 | I | 23.1 | Very low | 22.7 | Very low | 155 Ų | 155 | 155 Ų | 155 | 80% | 0.795 | 77% | 0.768 | S | S | * | * | cis | -143.7 | 161 | 41.3 | -73.4 | 170.9 | 0 | 0 | 0 | 110.4 | ||||
| 1420 | A | 21.1 | Very low | 22.6 | Very low | 91 Ų | 91 | 153.3 Ų | 153.3 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -108.5 | 140.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1421 | D | 24.1 | Very low | 22.5 | Very low | 134 Ų | 134 | 150.3 Ų | 150.3 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | -161.3 | 159.2 | 167.5 | -134.9 | -24.5 | 0 | 0 | 0 | 113.7 | ||||
| 1422 | N | 25.8 | Very low | 22.4 | Very low | 114 Ų | 114 | 150 Ų | 150 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | trans | 52.1 | 104.5 | 168.6 | -61.5 | -54.4 | 0 | 0 | 0 | 118.8 | ||||
| 1423 | Q | 22.3 | Very low | 22.6 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | 86.9 | 126.3 | 64.9 | -79.4 | -167.9 | 71.6 | 0 | 0 | 114.8 | |||||
| 1424 | Q | 21.8 | Very low | 22.6 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 44.2 | 118.4 | 154.2 | -55.7 | -176.1 | 12.5 | 0 | 0 | 119.4 | ||||
| 1425 | F | 22.7 | Very low | 22.7 | Very low | 188 Ų | 188 | 141.2 Ų | 141.2 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | -160.7 | 119.1 | 111.2 | -116.2 | -80.9 | 0 | 0 | 0 | 112.5 | |||||
| 1426 | Q | 21 | Very low | 22.6 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 33.9 | 98.3 | 154.5 | -60.4 | -64.4 | -12.2 | 0 | 0 | 120.5 | ||||
| 1427 | P | 25.6 | Very low | 22.5 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -90.5 | 128.6 | 157.1 | 34 | -28.5 | 0 | 0 | 0 | 111.6 | ||||
| 1428 | S | 21.4 | Very low | 22.4 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -135.3 | 70.6 | 174.9 | 70.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1429 | Y | 22.7 | Very low | 22.6 | Very low | 237 Ų | 237 | 136.7 Ų | 136.7 | 93% | 0.929 | 78% | 0.778 | S | S | * | * | trans | -125.2 | 71.8 | 145.4 | -92.1 | -71.6 | 0 | 0 | 0 | 109.1 | S1431 | Y1429-S1431 PolarHBondContact O-N 3.24Š| ||
| 1430 | S | 22.4 | Very low | 22.8 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -78.6 | 93.2 | 158.8 | 53.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1431 | S | 25.1 | Very low | 23 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | 77.9 | 109.1 | 73.1 | 72.9 | 0 | 0 | 0 | 0 | 112.5 | Y1429 | Y1429-S1431 PolarHBondContact O-N 3.24Š| |||
| 1432 | S | 21.5 | Very low | 23.2 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -133.2 | 66.3 | 177.5 | 49.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1433 | T | 22.9 | Very low | 23.4 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -119.6 | 80.8 | 165.7 | 41.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1434 | S | 23.7 | Very low | 23.8 | Very low | 117 Ų | 117 | 135 Ų | 135 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -137.6 | 131 | 162.1 | 55.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1435 | S | 21.8 | Very low | 24.4 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -85.3 | 154.4 | 177.7 | 47.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1436 | L | 20 | Very low | 24.9 | Very low | 165 Ų | 165 | 128.4 Ų | 128.4 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | 174.5 | 169.6 | 117.8 | -93 | 164.4 | 0 | 0 | 0 | 112 | |||||
| 1437 | T | 20.7 | Very low | 25.4 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | trans | -106.1 | 165.9 | 169.8 | 43.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1438 | L | 19.2 | Very low | 25.8 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | 91 | 138.1 | 169.1 | -57.6 | 162.5 | 0 | 0 | 0 | 118 | ||||
| 1439 | S | 26.8 | Very low | 26.2 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 66.3 | 155.7 | 174 | 74.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1440 | S | 26.1 | Very low | 26.5 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | cis | -162.6 | 161.3 | -49.8 | 42.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1441 | S | 24.9 | Very low | 26.9 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -97.7 | 143.6 | -161.4 | 47.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1442 | S | 29.7 | Very low | 27.1 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -175 | 176.1 | 146.8 | 21.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1443 | S | 28.8 | Very low | 27.4 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -149.2 | -179.6 | -152.4 | 55.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1444 | T | 31.7 | Very low | 27.7 | Very low | 134 Ų | 134 | 119.4 Ų | 119.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 87.9 | 145.3 | 173.6 | 71.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1445 | S | 33.7 | Very low | 28 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | cis | -170.7 | 161.8 | -18.1 | 48.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1446 | S | 33.1 | Very low | 28.2 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 70.1 | 155.7 | 159 | 49.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1447 | T | 32.2 | Very low | 28.6 | Very low | 125 Ų | 125 | 115.9 Ų | 115.9 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | cis | -170 | 170.1 | -14.6 | 26.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1448 | S | 33 | Very low | 28.8 | Very low | 111 Ų | 111 | 119.2 Ų | 119.2 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 79.1 | 167.8 | 161.5 | -5.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1449 | S | 29.6 | Very low | 29.1 | Very low | 104 Ų | 104 | 116.6 Ų | 116.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | 177.3 | 161.8 | -17.9 | 45.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1450 | T | 30 | Very low | 29 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | -172.9 | 168.1 | -16 | 31.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1451 | S | 29.7 | Very low | 29.1 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | 65.3 | 153.2 | 161.2 | 41.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1452 | S | 29.2 | Very low | 29.1 | Very low | 98 Ų | 98 | 116.5 Ų | 116.5 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | -173.6 | 159.2 | -16.2 | 55 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1453 | T | 28.3 | Very low | 28.9 | Very low | 128 Ų | 128 | 118 Ų | 118 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | 63.9 | 167 | 150.8 | 48.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1454 | S | 28.8 | Very low | 28.9 | Very low | 107 Ų | 107 | 118 Ų | 118 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | 174.5 | 130 | -64.5 | 54.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1455 | S | 29.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | 178.9 | 118.9 | 165.3 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1456 | S | 27.5 | Very low | 28.8 | Very low | 111 Ų | 111 | 118.6 Ų | 118.6 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | 71.9 | 142 | 78.7 | 72 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1457 | S | 27.6 | Very low | 28.4 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | cis | -174.1 | -177.2 | -0.5 | 39.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1458 | F | 25.9 | Very low | 27.9 | Very low | 189 Ų | 189 | 121.1 Ų | 121.1 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | trans | 93.4 | 161.5 | 168.5 | -66.7 | -81.3 | 0 | 0 | 0 | 120.8 | ||||
| 1459 | T | 24.8 | Very low | 27.5 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | -162 | 175.7 | -118.2 | 45 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1460 | L | 25 | Very low | 27.2 | Very low | 163 Ų | 163 | 121.5 Ų | 121.5 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | 75.1 | 156.4 | 162.1 | -69.9 | 157.2 | 0 | 0 | 0 | 116.1 | ||||
| 1461 | S | 28.5 | Very low | 26.9 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | cis | -169.9 | 132.1 | -6.6 | 47.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1462 | S | 24.6 | Very low | 26.5 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | 99.5 | 158.2 | 88.9 | 73.4 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1463 | L | 26.2 | Very low | 26.3 | Very low | 159 Ų | 159 | 124.9 Ų | 124.9 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | 74.7 | 149.5 | 176.3 | -79 | 77.2 | 0 | 0 | 0 | 117 | ||||
| 1464 | S | 27 | Very low | 26.1 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | cis | -161.8 | 162.6 | -10.8 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1465 | T | 28 | Very low | 25.9 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -98.2 | -166.7 | 170.5 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1466 | P | 35.7 | Very low | 25.6 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | cis | -117.1 | -150.6 | -16 | 27.9 | -2.3 | 0 | 0 | 0 | 110.7 | ||||
| 1467 | T | 25.7 | Very low | 25.5 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | cis | -139.2 | 176.5 | 4 | 56.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1468 | L | 21.9 | Very low | 25.5 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | cis | 103.9 | 58.7 | 1.5 | -135.4 | -175.9 | 0 | 0 | 0 | 119.9 | ||||
| 1469 | S | 23.3 | Very low | 25.3 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | -168.1 | 153.8 | 159.7 | 55.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1470 | T | 24 | Very low | 25.4 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | -164.5 | 153.5 | -6.1 | 11.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1471 | V | 22.9 | Very low | 25.3 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | trans | 67.7 | 136.6 | 147 | 169.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1472 | Y | 21.6 | Very low | 25.2 | Very low | 193 Ų | 193 | 132.4 Ų | 132.4 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | cis | -154 | 141.8 | -4.9 | -129.5 | -148 | 0 | 0 | 0 | 112.5 | ||||
| 1473 | T | 24.4 | Very low | 25.2 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 54% | 0.54 | 76% | 0.76 | S | S | . | * | trans | 34.6 | 143.6 | 136.2 | 68.6 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1474 | N | 23.8 | Very low | 25.1 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 83.6 | 142 | 146.9 | -61.4 | -22.1 | 0 | 0 | 0 | 118.8 | ||||
| 1475 | S | 25.4 | Very low | 25.4 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | cis | -151.3 | 122.7 | -6 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1476 | I | 24 | Very low | 25.2 | Very low | 148 Ų | 148 | 135 Ų | 135 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | 46.1 | 110.5 | 119.2 | -53.3 | 159.4 | 0 | 0 | 0 | 117.9 | |||||
| 1477 | C | 24.4 | Very low | 24.6 | Very low | 124 Ų | 124 | 135 Ų | 135 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -114 | 155 | 138.1 | -87.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 1478 | P | 28.3 | Very low | 24.4 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -77.1 | 142.5 | -157.3 | 28.8 | -36.1 | 0 | 0 | 0 | 114.6 | ||||
| 1479 | S | 21.8 | Very low | 24.5 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | trans | -98.5 | 135 | 173.2 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1480 | K | 25.8 | Very low | 24.6 | Very low | 203 Ų | 203 | 135.4 Ų | 135.4 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -134.5 | 107.2 | 139.6 | -72 | -167.9 | 177.4 | -178 | 0 | 106.4 | ||||
| 1481 | Y | 22.8 | Very low | 24.6 | Very low | 200 Ų | 200 | 137.5 Ų | 137.5 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | 57.7 | 107 | 78.1 | -80.6 | -80 | 0 | 0 | 0 | 113.2 | |||||
| 1482 | V | 26.9 | Very low | 24.5 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | -166.4 | 134.5 | 116.5 | 138.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1483 | T | 25.7 | Very low | 24.5 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 43.8 | 114.8 | 166.7 | 54.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1484 | T | 24.1 | Very low | 24.3 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -89.8 | -154.5 | 147.2 | 53.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1485 | P | 32.6 | Very low | 24.2 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | -123.2 | 154.2 | -111.4 | 36.8 | -18.6 | 0 | 0 | 0 | 115.6 | |||||
| 1486 | L | 24.7 | Very low | 24.1 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -136.8 | 104.7 | 159.4 | -87.7 | 178.3 | 0 | 0 | 0 | 112.3 | ||||
| 1487 | T | 22.9 | Very low | 24 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -76.8 | 131.4 | 156.6 | 48.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1488 | N | 21.9 | Very low | 24 | Very low | 138 Ų | 138 | 150 Ų | 150 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | 170 | 139.7 | 114.6 | -94.7 | -17.6 | 0 | 0 | 0 | 115.6 | |||||
| 1489 | T | 22.9 | Very low | 23.9 | Very low | 105 Ų | 105 | 149 Ų | 149 | 64% | 0.644 | 79% | 0.786 | S | S | * | * | trans | 57 | 142.9 | 142.7 | 60.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1490 | N | 25.5 | Very low | 23.9 | Very low | 153 Ų | 153 | 153.9 Ų | 153.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 69.9 | 127.9 | 173.8 | -42.6 | -41 | 0 | 0 | 0 | 111.6 | ||||
| 1491 | I | 24.2 | Very low | 23.8 | Very low | 166 Ų | 166 | 153.8 Ų | 153.8 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | cis | -120.2 | 143.2 | 35.8 | -71.5 | 147.4 | 0 | 0 | 0 | 112.5 | ||||
| 1492 | L | 21.4 | Very low | 23.8 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -112.4 | 116.9 | 164.6 | -153.6 | 174.5 | 0 | 0 | 0 | 106 | ||||
| 1493 | W | 21.6 | Very low | 23.6 | Very low | 242 Ų | 242 | 157 Ų | 157 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | 174.9 | 149.5 | 145.1 | -99.1 | 32 | 0 | 0 | 0 | 110.2 | ||||
| 1494 | S | 20 | Very low | 23.5 | Very low | 102 Ų | 102 | 158.3 Ų | 158.3 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -131 | 137.1 | 175.7 | 50.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1495 | Q | 21.7 | Very low | 23.6 | Very low | 183 Ų | 183 | 157.1 Ų | 157.1 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | 168 | 168 | 141.2 | -94 | 172 | 4.2 | 0 | 0 | 111 | ||||
| 1496 | E | 23.9 | Very low | 23.1 | Very low | 182 Ų | 182 | 158.9 Ų | 158.9 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | 63.3 | 115.7 | 174.6 | -51 | -167.4 | 152.2 | 0 | 0 | 115.6 | ||||
| 1497 | M | 20 | Very low | 23.2 | Very low | 166 Ų | 166 | 160.6 Ų | 160.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | cis | 64.9 | 85.2 | 35.2 | -62 | -74.5 | -161.3 | 0 | 0 | 115.4 | ||||
| 1498 | N | 25.5 | Very low | 23.2 | Very low | 152 Ų | 152 | 160.7 Ų | 160.7 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | -176.3 | 159.7 | 100.3 | -96.6 | -60.7 | 0 | 0 | 0 | 113.4 | |||||
| 1499 | P | 25.1 | Very low | 23.4 | Very low | 105 Ų | 105 | 157.4 Ų | 157.4 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | trans | -101.3 | 143.7 | 179.5 | 36.9 | -31.1 | 0 | 0 | 0 | 113.8 | ||||
| 1500 | F | 23.6 | Very low | 23.4 | Very low | 193 Ų | 193 | 157.5 Ų | 157.5 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -145.7 | 111.7 | 164.2 | -112.8 | -88.8 | 0 | 0 | 0 | 113 | ||||
| 1501 | Y | 22.5 | Very low | 23.3 | Very low | 200 Ų | 200 | 157.7 Ų | 157.7 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 44.9 | 149.8 | 144 | -85.5 | -87.3 | 0 | 0 | 0 | 124.9 | ||||
| 1502 | L | 22.3 | Very low | 23.4 | Very low | 152 Ų | 152 | 159.3 Ų | 159.3 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | trans | 70.2 | 104.9 | 151.4 | -71.1 | 160.6 | 0 | 0 | 0 | 120.1 | ||||
| 1503 | R | 24.5 | Very low | 23.5 | Very low | 243 Ų | 243 | 160.7 Ų | 160.7 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | -174.7 | 167.2 | 95.6 | -106 | -179.5 | 172.7 | 179.8 | -1.8 | 114.6 | |||||
| 1504 | N | 22.2 | Very low | 23.5 | Very low | 156 Ų | 156 | 156.2 Ų | 156.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -98.3 | 137.7 | 177.7 | -63.7 | -30.3 | 0 | 0 | 0 | 112.3 | ||||
| 1505 | S | 27.1 | Very low | 24.1 | Very low | 109 Ų | 109 | 156.1 Ų | 156.1 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -164.2 | 107.2 | 157.6 | 52.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1506 | I | 22.1 | Very low | 24.1 | Very low | 145 Ų | 145 | 157.1 Ų | 157.1 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | 54.8 | 83.8 | 64.4 | -49.3 | -177.7 | 0 | 0 | 0 | 112.3 | |||||
| 1507 | Y | 25.8 | Very low | 24.2 | Very low | 216 Ų | 216 | 156.4 Ų | 156.4 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -155 | 99.7 | 153.8 | -112.6 | -90.4 | 0 | 0 | 0 | 105.3 | ||||
| 1508 | T | 22.9 | Very low | 24.4 | Very low | 115 Ų | 115 | 156.3 Ų | 156.3 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | 59.8 | 102.7 | 73.7 | 69.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1509 | G | 26.8 | Very low | 24.3 | Very low | 69 Ų | 69 | 154.9 Ų | 154.9 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 148.8 | 67.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1510 | S | 22.6 | Very low | 24.2 | Very low | 108 Ų | 108 | 157.7 Ų | 157.7 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | 82.1 | 152.8 | 74.7 | 82.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1511 | L | 22.7 | Very low | 24.1 | Very low | 156 Ų | 156 | 154 Ų | 154 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | 56.7 | 85.7 | 171.1 | -61.4 | 164.1 | 0 | 0 | 0 | 116 | ||||
| 1512 | K | 27.6 | Very low | 24.2 | Very low | 201 Ų | 201 | 150 Ų | 150 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | -168.4 | 137.8 | 68.5 | -91.7 | 170.5 | 178.5 | 173.9 | 0 | 114.1 | |||||
| 1513 | Q | 22.1 | Very low | 24.2 | Very low | 180 Ų | 180 | 153.4 Ų | 153.4 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -73.6 | 169.9 | 158 | -71 | 168.1 | -27.5 | 0 | 0 | 110.4 | ||||
| 1514 | L | 22.7 | Very low | 24.1 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | cis | -143.2 | -165.3 | 8.2 | -152.1 | 73.9 | 0 | 0 | 0 | 108.9 | ||||
| 1515 | P | 32.1 | Very low | 24.3 | Very low | 100 Ų | 100 | 147.6 Ų | 147.6 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | -110.4 | 162.2 | -109.3 | 39.9 | -25.3 | 0 | 0 | 0 | 115.8 | |||||
| 1516 | K | 22 | Very low | 24 | Very low | 204 Ų | 204 | 152 Ų | 152 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -80.6 | 137.7 | 158.6 | -66.8 | 178.5 | 178.3 | 178.9 | 0 | 109.8 | ||||
| 1517 | H | 26.3 | Very low | 24.1 | Very low | 167 Ų | 167 | 151.6 Ų | 151.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -127.7 | 84.1 | 158.3 | -111.1 | -83.2 | 0 | 0 | 0 | 109.3 | ||||
| 1518 | I | 24.5 | Very low | 23.9 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -119.6 | 119.2 | 159.6 | -66.6 | 178.6 | 0 | 0 | 0 | 105.5 | ||||
| 1519 | L | 22.2 | Very low | 23.9 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | trans | -95 | 139.8 | 177.7 | -85.1 | 163.3 | 0 | 0 | 0 | 110.3 | ||||
| 1520 | Q | 22.6 | Very low | 23.7 | Very low | 163 Ų | 163 | 151.4 Ų | 151.4 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 54.9 | 85 | 145.9 | -64.5 | 167.9 | -36.7 | 0 | 0 | 117.9 | ||||
| 1521 | S | 23.2 | Very low | 23.8 | Very low | 116 Ų | 116 | 154.4 Ų | 154.4 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -113.3 | 103.8 | 135.3 | 54.6 | 0 | 0 | 0 | 0 | 108.9 | Y1523 | S1521-Y1523 PolarHBondContact O-N 2.91Š| ||
| 1522 | T | 24.2 | Very low | 23.8 | Very low | 117 Ų | 117 | 152.8 Ų | 152.8 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | -89 | 90.9 | -171.5 | 48.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1523 | Y | 21.8 | Very low | 23.5 | Very low | 223 Ų | 223 | 150.3 Ų | 150.3 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | -140.5 | 68.6 | 175 | -87.2 | -74.2 | 0 | 0 | 0 | 113.5 | S1521 | S1521-Y1523 PolarHBondContact O-N 2.91Š| ||
| 1524 | S | 23.5 | Very low | 23.6 | Very low | 97 Ų | 97 | 151.7 Ų | 151.7 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -160.4 | 73.4 | 162.5 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1525 | N | 25.7 | Very low | 23.5 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 96% | 0.957 | 78% | 0.784 | S | S | * | * | trans | -80.7 | 134.6 | 161.7 | -92.8 | -5.1 | 0 | 0 | 0 | 110.1 | ||||
| 1526 | Y | 21.3 | Very low | 23 | Very low | 201 Ų | 201 | 158.2 Ų | 158.2 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | -96 | 175 | -169.3 | -107.2 | -102.1 | 0 | 0 | 0 | 112.2 | ||||
| 1527 | I | 23.2 | Very low | 22.9 | Very low | 137 Ų | 137 | 155.4 Ų | 155.4 | 70% | 0.703 | 79% | 0.785 | S | S | * | * | trans | 69.5 | 110.5 | 155.3 | -69.3 | 153.7 | 0 | 0 | 0 | 114.3 | ||||
| 1528 | T | 21.3 | Very low | 22.6 | Very low | 111 Ų | 111 | 158 Ų | 158 | 68% | 0.681 | 79% | 0.79 | S | S | * | * | 61 | 95.3 | 52 | 77.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1529 | H | 23.5 | Very low | 22.4 | Very low | 171 Ų | 171 | 157.5 Ų | 157.5 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | -170.9 | 125.9 | 127.9 | -107.5 | -72.6 | 0 | 0 | 0 | 114.1 | |||||
| 1530 | T | 22.6 | Very low | 22.4 | Very low | 114 Ų | 114 | 162.1 Ų | 162.1 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -0.3 | 131.2 | 143.9 | 55.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1531 | L | 25.2 | Very low | 22.4 | Very low | 172 Ų | 172 | 161 Ų | 161 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | -158.8 | 135.5 | 128.9 | -111.2 | 166.6 | 0 | 0 | 0 | 110.4 | |||||
| 1532 | T | 22.5 | Very low | 22.3 | Very low | 122 Ų | 122 | 161.1 Ų | 161.1 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -119.3 | 166.4 | 179.1 | 48.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1533 | N | 22.1 | Very low | 22.3 | Very low | 149 Ų | 149 | 163.5 Ų | 163.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 61.1 | 108.9 | 175.1 | -71.4 | -31.7 | 0 | 0 | 0 | 117.5 | ||||
| 1534 | K | 23.4 | Very low | 22.1 | Very low | 209 Ų | 209 | 158.3 Ų | 158.3 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | -157.5 | 129.7 | 106.9 | -106.4 | 163.7 | -174.6 | 177.4 | 0 | 111.4 | |||||
| 1535 | Q | 20.1 | Very low | 22.1 | Very low | 181 Ų | 181 | 162.8 Ų | 162.8 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -77.3 | 147.6 | 160.8 | -62.8 | 169.4 | -41.6 | 0 | 0 | 108.6 | ||||
| 1536 | F | 21.6 | Very low | 21.9 | Very low | 203 Ų | 203 | 160.5 Ų | 160.5 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -154.4 | 136.9 | 139.7 | -119.7 | -79.2 | 0 | 0 | 0 | 109.5 | ||||
| 1537 | Q | 19.6 | Very low | 22.1 | Very low | 145 Ų | 145 | 156.3 Ų | 156.3 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -87.6 | 158.8 | 170.5 | -73.6 | -173.5 | -14.3 | 0 | 0 | 110.4 | ||||
| 1538 | Y | 21.6 | Very low | 22.4 | Very low | 222 Ų | 222 | 155.5 Ų | 155.5 | 87% | 0.871 | 78% | 0.78 | S | S | * | * | trans | -131.7 | 136.7 | 146 | -115 | -87.7 | 0 | 0 | 0 | 109.9 | ||||
| 1539 | F | 19.6 | Very low | 23 | Very low | 153 Ų | 153 | 155.7 Ų | 155.7 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | -114.7 | 133 | -177.1 | -115.2 | -93.9 | 0 | 0 | 0 | 109.5 | ||||
| 1540 | Y | 21.2 | Very low | 23.5 | Very low | 219 Ų | 219 | 152.7 Ų | 152.7 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | -154.4 | 94.2 | 161.2 | -101.4 | -80.6 | 0 | 0 | 0 | 105.8 | ||||
| 1541 | H | 23.3 | Very low | 23.8 | Very low | 141 Ų | 141 | 156.6 Ų | 156.6 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | cis | 90.7 | 105.9 | 46 | -156.9 | 14.9 | 0 | 0 | 0 | 112.5 | ||||
| 1542 | N | 20.7 | Very low | 23.6 | Very low | 118 Ų | 118 | 157.1 Ų | 157.1 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | trans | 56.3 | 128.3 | 160.3 | -64.5 | 7.7 | 0 | 0 | 0 | 120.5 | ||||
| 1543 | Q | 24.8 | Very low | 23.7 | Very low | 166 Ų | 166 | 159.4 Ų | 159.4 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | -157.3 | 150.8 | 95 | -91.9 | -50.8 | -27.2 | 0 | 0 | 111.6 | |||||
| 1544 | C | 18.2 | Very low | 23.7 | Very low | 114 Ų | 114 | 159.7 Ų | 159.7 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -131.4 | 122 | 178.2 | -64 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1545 | K | 22.1 | Very low | 23.6 | Very low | 191 Ų | 191 | 156 Ų | 156 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -156.1 | 148.6 | 167.1 | -67.1 | -168 | 179.2 | -177.9 | 0 | 108.9 | ||||
| 1546 | T | 21.9 | Very low | 23.9 | Very low | 131 Ų | 131 | 153.9 Ų | 153.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | cis | -168.8 | 138.4 | -24.1 | 28.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1547 | S | 26.2 | Very low | 24.1 | Very low | 113 Ų | 113 | 150.4 Ų | 150.4 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -84.5 | 161.1 | 170.6 | 54.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1548 | P | 29.8 | Very low | 24.3 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | -148.3 | 176.1 | 90.1 | 33.4 | -11.9 | 0 | 0 | 0 | 116.1 | |||||
| 1549 | P | 32.6 | Very low | 24.3 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | trans | -100.9 | -151.9 | 176.7 | 44.9 | -38.1 | 0 | 0 | 0 | 110.4 | ||||
| 1550 | P | 34.6 | Very low | 24.4 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | cis | -136 | -174.6 | -11.2 | 43.6 | -27 | 0 | 0 | 0 | 115 | ||||
| 1551 | Q | 28 | Very low | 24.5 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 92% | 0.921 | 74% | 0.736 | S | S | * | * | trans | -163.2 | 164.7 | 134.6 | -111.6 | 169.2 | 23.7 | 0 | 0 | 113 | ||||
| 1552 | Q | 20.6 | Very low | 24.6 | Very low | 182 Ų | 182 | 143 Ų | 143 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -128.9 | 149.1 | -173.3 | -60.5 | 173.2 | -10.7 | 0 | 0 | 111.4 | ||||
| 1553 | Q | 25.4 | Very low | 24.7 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | -171.6 | 128.8 | 146.4 | -102.1 | 154.6 | 34.4 | 0 | 0 | 107.7 | ||||
| 1554 | Q | 22.1 | Very low | 24.7 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | 67.3 | 137.4 | 83.3 | -73.6 | -176.6 | 5.2 | 0 | 0 | 113.4 | |||||
| 1555 | Q | 22.4 | Very low | 25 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 62% | 0.621 | 72% | 0.724 | S | S | * | * | cis | -173.7 | 165.8 | -11.7 | -135.6 | 170.7 | 0 | 0 | 0 | 109.5 | ||||
| 1556 | H | 25.6 | Very low | 25.2 | Very low | 136 Ų | 136 | 143 Ų | 143 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | trans | 62.8 | 161.1 | 157.7 | -66.8 | -61.1 | 0 | 0 | 0 | 118.3 | ||||
| 1557 | H | 25 | Very low | 25.3 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 60% | 0.597 | 73% | 0.728 | S | S | * | * | cis | -149.7 | 151.3 | -12.1 | -122.7 | -53.4 | 0 | 0 | 0 | 111.6 | ||||
| 1558 | H | 24.2 | Very low | 25.3 | Very low | 129 Ų | 129 | 148.6 Ų | 148.6 | 60% | 0.597 | 72% | 0.723 | S | S | * | * | trans | 44.5 | 123.1 | 144.3 | -71.3 | -6.9 | 0 | 0 | 0 | 123.4 | ||||
| 1559 | Q | 21.8 | Very low | 25 | Very low | 145 Ų | 145 | 154.8 Ų | 154.8 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | 73.2 | 137.2 | 97.8 | -60.2 | 171.8 | -2.4 | 0 | 0 | 113.6 | |||||
| 1560 | Q | 22.2 | Very low | 24.7 | Very low | 178 Ų | 178 | 155.4 Ų | 155.4 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | cis | -155.6 | 169.2 | 49.5 | -74.3 | 179.4 | -4.5 | 0 | 0 | 112.2 | ||||
| 1561 | Q | 23.5 | Very low | 24.4 | Very low | 155 Ų | 155 | 157 Ų | 157 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | trans | -84.6 | 162 | 168.4 | -61.6 | 178.6 | -6.3 | 0 | 0 | 111 | ||||
| 1562 | P | 25 | Very low | 24.2 | Very low | 117 Ų | 117 | 154 Ų | 154 | 76% | 0.76 | 71% | 0.708 | S | S | * | * | -125.8 | 141.3 | 89.8 | 37.8 | -31.7 | 0 | 0 | 0 | 111.2 | |||||
| 1563 | Q | 21.9 | Very low | 24.6 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 57% | 0.57 | 70% | 0.701 | S | S | * | * | 50.6 | 125 | 74.9 | -54.4 | -152.1 | 42.3 | 0 | 0 | 112.2 | |||||
| 1564 | H | 25.1 | Very low | 24.7 | Very low | 152 Ų | 152 | 152 Ų | 152 | 70% | 0.704 | 70% | 0.699 | S | S | * | * | cis | -138.3 | 142.7 | 38.3 | -89.1 | -106.6 | 0 | 0 | 0 | 116.2 | ||||
| 1565 | H | 25.4 | Very low | 25 | Very low | 120 Ų | 120 | 152.6 Ų | 152.6 | 56% | 0.556 | 70% | 0.701 | S | S | * | * | trans | 54.8 | 97.5 | 134.4 | -69 | 52.9 | 0 | 0 | 0 | 120.6 | ||||
| 1566 | H | 26.8 | Very low | 25.7 | Very low | 195 Ų | 195 | 150.8 Ų | 150.8 | 90% | 0.903 | 70% | 0.701 | S | S | * | * | -105.5 | 136.9 | 124 | -79.4 | -44.7 | 0 | 0 | 0 | 109.5 | |||||
| 1567 | R | 22.3 | Very low | 25.9 | Very low | 212 Ų | 212 | 151.2 Ų | 151.2 | 80% | 0.8 | 70% | 0.704 | S | S | * | * | trans | -136.3 | 113.5 | 165.2 | -94.4 | -177.7 | 163.3 | 179.6 | -4.9 | 106.3 | ||||
| 1568 | H | 26.8 | Very low | 25.9 | Very low | 151 Ų | 151 | 154.6 Ų | 154.6 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | 75 | 97.5 | 78.4 | -83.4 | -56.3 | 0 | 0 | 0 | 115.3 | |||||
| 1569 | R | 23.4 | Very low | 26 | Very low | 250 Ų | 250 | 154.5 Ų | 154.5 | 94% | 0.943 | 71% | 0.711 | S | S | * | * | -124.9 | 118.1 | 125 | -78.4 | -175.9 | 174.5 | 177.7 | -2.5 | 105.1 | |||||
| 1570 | Q | 27.3 | Very low | 26.3 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 60% | 0.598 | 71% | 0.71 | S | S | * | * | cis | 63.7 | 110.2 | 26.6 | -136.1 | -160.3 | 81.8 | 0 | 0 | 108.9 | ||||
| 1571 | Q | 27 | Very low | 26.5 | Very low | 142 Ų | 142 | 154.2 Ų | 154.2 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | -173.7 | 174.5 | 70.9 | -86.4 | 173.7 | 14 | 0 | 0 | 108.3 | |||||
| 1572 | Q | 25.2 | Very low | 26.6 | Very low | 133 Ų | 133 | 155.3 Ų | 155.3 | 62% | 0.621 | 71% | 0.714 | S | S | * | * | cis | -155.5 | 146.5 | 3.7 | -121.7 | 174.4 | 82 | 0 | 0 | 106.8 | ||||
| 1573 | Q | 28 | Very low | 26.8 | Very low | 149 Ų | 149 | 155.7 Ų | 155.7 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | 58.1 | 146.2 | 101.2 | -60.7 | -175.6 | 35 | 0 | 0 | 116.4 | |||||
| 1574 | Q | 28.2 | Very low | 26.9 | Very low | 162 Ų | 162 | 158.3 Ų | 158.3 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | cis | -157.8 | 166.8 | 17 | -137.3 | 173.2 | 82.8 | 0 | 0 | 114.5 | ||||
| 1575 | Q | 28.8 | Very low | 26.8 | Very low | 167 Ų | 167 | 159.7 Ų | 159.7 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | -45 | -167.9 | 164.8 | -82.2 | -172.7 | 21.7 | 0 | 0 | 119.6 | ||||
| 1576 | P | 36.7 | Very low | 26.8 | Very low | 95 Ų | 95 | 161.8 Ų | 161.8 | 62% | 0.617 | 74% | 0.742 | S | S | * | * | cis | -143.8 | -164.8 | -33.2 | 33.3 | -10.3 | 0 | 0 | 0 | 116.1 | ||||
| 1577 | Q | 29 | Very low | 26.4 | Very low | 145 Ų | 145 | 161.1 Ų | 161.1 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | 102.9 | 119.5 | 151.8 | -50.2 | -124.6 | 34.9 | 0 | 0 | 118.3 | ||||
| 1578 | R | 24.8 | Very low | 26.4 | Very low | 200 Ų | 200 | 159.8 Ų | 159.8 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | 75.9 | 146 | 88.7 | -64.8 | -161.8 | -170.6 | -158.1 | 1.7 | 114.7 | |||||
| 1579 | Q | 26.9 | Very low | 26.1 | Very low | 126 Ų | 126 | 161.5 Ų | 161.5 | 59% | 0.589 | 75% | 0.751 | S | S | * | * | cis | -164.7 | 151.4 | -1.9 | -119.7 | 176.4 | -43.6 | 0 | 0 | 111.7 | ||||
| 1580 | H | 27.3 | Very low | 26.1 | Very low | 143 Ų | 143 | 157.8 Ų | 157.8 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | trans | 55.1 | 164.1 | 154.3 | -61.7 | -51 | 0 | 0 | 0 | 120.6 | ||||
| 1581 | H | 26.8 | Very low | 26 | Very low | 174 Ų | 174 | 157.8 Ų | 157.8 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | cis | -144 | -173 | 9.9 | -114.8 | -30.5 | 0 | 0 | 0 | 113.6 | ||||
| 1582 | Q | 26 | Very low | 25.7 | Very low | 178 Ų | 178 | 159 Ų | 159 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -101 | -168.6 | 177.5 | -74.8 | -172.3 | -10.4 | 0 | 0 | 110.9 | ||||
| 1583 | P | 29.8 | Very low | 25.9 | Very low | 125 Ų | 125 | 162 Ų | 162 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | cis | -144.1 | -152.6 | 13.1 | 45.2 | -21.8 | 0 | 0 | 0 | 117.7 | ||||
| 1584 | Q | 23.9 | Very low | 25.8 | Very low | 177 Ų | 177 | 163.9 Ų | 163.9 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -110.4 | 167.1 | -163.1 | -53.3 | 165.7 | -18.1 | 0 | 0 | 114.9 | ||||
| 1585 | K | 22.6 | Very low | 26.2 | Very low | 181 Ų | 181 | 161.3 Ų | 161.3 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | 153.8 | 158.2 | 147.6 | -87.4 | 171.2 | 173.9 | -175.4 | 0 | 110.1 | ||||
| 1586 | H | 24.4 | Very low | 26 | Very low | 165 Ų | 165 | 162.8 Ų | 162.8 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | cis | -151.8 | -170.7 | -9.3 | -119.7 | -39.9 | 0 | 0 | 0 | 110 | ||||
| 1587 | Q | 19.7 | Very low | 25.2 | Very low | 180 Ų | 180 | 166.8 Ų | 166.8 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | -123.9 | 151 | -179.5 | -64.3 | 172.9 | -20.5 | 0 | 0 | 112.7 | ||||
| 1588 | Q | 22.8 | Very low | 25 | Very low | 185 Ų | 185 | 169 Ų | 169 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | 177.5 | 164.6 | 158.1 | -99.1 | 156.1 | 32 | 0 | 0 | 107.6 | ||||
| 1589 | Q | 18.7 | Very low | 24.7 | Very low | 187 Ų | 187 | 167.2 Ų | 167.2 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | cis | -175.5 | 176.3 | -37.5 | -108.2 | -173.9 | 14.9 | 0 | 0 | 105.8 | ||||
| 1590 | Q | 24.9 | Very low | 24.6 | Very low | 172 Ų | 172 | 169.8 Ų | 169.8 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -91.5 | 169 | -173.7 | -59.3 | 177.1 | -9.5 | 0 | 0 | 113.6 | ||||
| 1591 | P | 24.3 | Very low | 24.2 | Very low | 127 Ų | 127 | 169.9 Ų | 169.9 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | -149.1 | -170.9 | 96.5 | 39.6 | -21.4 | 0 | 0 | 0 | 116.1 | |||||
| 1592 | Q | 20.8 | Very low | 23.9 | Very low | 167 Ų | 167 | 169.6 Ų | 169.6 | 78% | 0.78 | 82% | 0.82 | S | S | * | * | trans | -106.7 | 167.5 | -177.1 | -58.7 | 176 | -8.3 | 0 | 0 | 113.3 | ||||
| 1593 | H | 29.1 | Very low | 23.6 | Very low | 198 Ų | 198 | 165.5 Ų | 165.5 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | -150 | 170.2 | 160.9 | -104.2 | -83.4 | 0 | 0 | 0 | 113 | ||||
| 1594 | H | 27.2 | Very low | 23.1 | Very low | 187 Ų | 187 | 168.9 Ų | 168.9 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -119.8 | 178.5 | -161.1 | -114.2 | -10.1 | 0 | 0 | 0 | 114.2 | ||||
| 1595 | P | 36.3 | Very low | 23 | Very low | 109 Ų | 109 | 166.4 Ų | 166.4 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | trans | -99 | 176.1 | -157.4 | 40.4 | -39.8 | 0 | 0 | 0 | 116.5 | ||||
| 1596 | Q | 24.5 | Very low | 22.9 | Very low | 197 Ų | 197 | 162.5 Ų | 162.5 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -137.3 | 167.6 | 167.6 | -75.4 | -168.8 | -16.8 | 0 | 0 | 113 | ||||
| 1597 | Q | 18.7 | Very low | 22.8 | Very low | 179 Ų | 179 | 162 Ų | 162 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -113 | 163.3 | -171.1 | -55.4 | 166.2 | -10.7 | 0 | 0 | 111.7 | ||||
| 1598 | Q | 25.1 | Very low | 22.9 | Very low | 191 Ų | 191 | 160.2 Ų | 160.2 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -159.3 | 157.9 | 142.9 | -115.2 | 165.7 | 38.1 | 0 | 0 | 112.8 | ||||
| 1599 | Q | 18.9 | Very low | 22.8 | Very low | 163 Ų | 163 | 156.2 Ų | 156.2 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -129.1 | 147.9 | -177.1 | -65.7 | 179.3 | -8.5 | 0 | 0 | 111.5 | ||||
| 1600 | Q | 24.5 | Very low | 22.9 | Very low | 181 Ų | 181 | 155.8 Ų | 155.8 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -161.8 | 130.5 | 157.6 | -103.7 | 154.4 | 56.5 | 0 | 0 | 105.3 | ||||
| 1601 | Q | 18.8 | Very low | 22.8 | Very low | 145 Ų | 145 | 157.3 Ų | 157.3 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | cis | 63.1 | 127.7 | 43.7 | -57 | -158.1 | 36.7 | 0 | 0 | 111.7 | ||||
| 1602 | Q | 21 | Very low | 23 | Very low | 168 Ų | 168 | 156.3 Ų | 156.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | cis | -150.1 | 171.5 | 14.7 | -121.5 | 164.4 | 46.5 | 0 | 0 | 113.3 | ||||
| 1603 | S | 19.7 | Very low | 23.1 | Very low | 92 Ų | 92 | 157.6 Ų | 157.6 | 64% | 0.643 | 81% | 0.811 | S | S | * | * | trans | -82.3 | 155.5 | -178.2 | 51.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1604 | F | 19.6 | Very low | 22.7 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -162.6 | 120.3 | 137.3 | -101.2 | -89 | 0 | 0 | 0 | 106.1 | ||||
| 1605 | V | 21.8 | Very low | 22.3 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | 67.2 | 130.4 | 74.5 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1606 | S | 21 | Very low | 21.7 | Very low | 100 Ų | 100 | 152.2 Ų | 152.2 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | cis | -148.3 | 154.8 | 13.9 | 52.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1607 | N | 21.4 | Very low | 21.7 | Very low | 155 Ų | 155 | 151.5 Ų | 151.5 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | 0.1 | 135.4 | 148.7 | -53.5 | -12.1 | 0 | 0 | 0 | 120 | ||||
| 1608 | C | 20.9 | Very low | 21.9 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 96% | 0.959 | 79% | 0.79 | S | S | * | * | trans | -142.7 | 125.4 | 135.5 | -143.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1609 | S | 21 | Very low | 21.6 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -125.3 | 135.5 | -169.6 | 56 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1610 | L | 22.5 | Very low | 21.7 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -155.4 | 153.3 | 150.3 | -134 | 69.5 | 0 | 0 | 0 | 110.4 | ||||
| 1611 | F | 22.2 | Very low | 21.5 | Very low | 204 Ų | 204 | 149.3 Ų | 149.3 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -110 | -177.2 | -171.1 | -104.1 | -49.6 | 0 | 0 | 0 | 111.1 | ||||
| 1612 | P | 29.1 | Very low | 21.5 | Very low | 106 Ų | 106 | 154 Ų | 154 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | trans | -104 | -179.9 | -148.6 | 42.3 | -32.3 | 0 | 0 | 0 | 113.9 | ||||
| 1613 | F | 21 | Very low | 21.5 | Very low | 193 Ų | 193 | 151.6 Ų | 151.6 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -140.2 | 161.2 | 165.6 | -112.7 | -87 | 0 | 0 | 0 | 112.3 | ||||
| 1614 | D | 21.8 | Very low | 21.5 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 64% | 0.636 | 82% | 0.818 | S | S | * | * | trans | -28.5 | 148.3 | -174.1 | -66.9 | -52.4 | 0 | 0 | 0 | 119.7 | ||||
| 1615 | I | 19.4 | Very low | 21.6 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 80% | 0.795 | 82% | 0.818 | S | S | * | * | cis | 70.7 | 88.9 | 40.1 | -51.6 | 174.3 | 0 | 0 | 0 | 114.3 | ||||
| 1616 | S | 22.7 | Very low | 21.8 | Very low | 108 Ų | 108 | 151.4 Ų | 151.4 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -156.2 | 111.7 | 150 | 53.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1617 | Q | 24.1 | Very low | 21.8 | Very low | 181 Ų | 181 | 154.5 Ų | 154.5 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | 71.7 | 157.5 | 133.5 | -59.6 | -164.9 | 18.3 | 0 | 0 | 125 | ||||
| 1618 | S | 22.8 | Very low | 21.9 | Very low | 113 Ų | 113 | 154.4 Ų | 154.4 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | 67.4 | 94.4 | 154.9 | 46.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 1619 | K | 19.4 | Very low | 21.8 | Very low | 201 Ų | 201 | 156.5 Ų | 156.5 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -71.3 | 146.4 | 150.9 | -56.2 | 164.1 | 179.7 | 170.3 | 0 | 110.4 | ||||
| 1620 | L | 21.2 | Very low | 21.9 | Very low | 162 Ų | 162 | 157.3 Ų | 157.3 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -166.7 | 95.1 | 145.3 | -99.5 | 149.6 | 0 | 0 | 0 | 107.6 | ||||
| 1621 | K | 20.7 | Very low | 21.9 | Very low | 193 Ų | 193 | 156 Ų | 156 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | 61.9 | 119.7 | 102.6 | -77.2 | -167.9 | 172.3 | -175.6 | 0 | 115.4 | |||||
| 1622 | Y | 18.8 | Very low | 21.9 | Very low | 243 Ų | 243 | 153.6 Ų | 153.6 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | trans | -66.3 | 141.8 | 165 | -67.9 | -101.5 | 0 | 0 | 0 | 111.8 | ||||
| 1623 | S | 20.7 | Very low | 21.5 | Very low | 118 Ų | 118 | 156.5 Ų | 156.5 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -154.3 | 124.3 | 151.3 | 57.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1624 | T | 20.1 | Very low | 21.6 | Very low | 139 Ų | 139 | 156.5 Ų | 156.5 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -80.1 | 141.9 | 174.6 | 46.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1625 | I | 21.4 | Very low | 21.8 | Very low | 166 Ų | 166 | 160.5 Ų | 160.5 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -155.4 | 149 | 148.8 | -106.7 | 152.2 | 0 | 0 | 0 | 108.8 | ||||
| 1626 | P | 25.4 | Very low | 21.9 | Very low | 103 Ų | 103 | 164 Ų | 164 | 67% | 0.669 | 82% | 0.824 | S | S | * | * | trans | -110.4 | 169.6 | -164.2 | 41.8 | -35.2 | 0 | 0 | 0 | 115.1 | ||||
| 1627 | L | 20.8 | Very low | 22 | Very low | 164 Ų | 164 | 167.3 Ų | 167.3 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | trans | 55.9 | 117.6 | 163.2 | -90.8 | 72.8 | 0 | 0 | 0 | 118.1 | ||||
| 1628 | D | 24 | Very low | 22 | Very low | 154 Ų | 154 | 163.7 Ų | 163.7 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | -145.4 | 163.7 | 115.2 | -147 | -21.2 | 0 | 0 | 0 | 111.3 | |||||
| 1629 | K | 19.3 | Very low | 22.2 | Very low | 185 Ų | 185 | 164.5 Ų | 164.5 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -127.7 | 110.6 | 177.1 | -74.3 | 178.4 | 177.4 | 175.1 | 0 | 110.2 | ||||
| 1630 | T | 21.8 | Very low | 22.3 | Very low | 119 Ų | 119 | 162 Ų | 162 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | trans | -168.1 | 154.2 | 153.8 | 4.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1631 | I | 22.4 | Very low | 22.3 | Very low | 150 Ų | 150 | 161.4 Ų | 161.4 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 65.8 | 122.4 | 156.5 | -61.4 | 157 | 0 | 0 | 0 | 114.4 | ||||
| 1632 | L | 23.3 | Very low | 22.7 | Very low | 154 Ų | 154 | 159.2 Ų | 159.2 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | cis | -154.8 | 153.9 | 46.9 | -170 | 66.9 | 0 | 0 | 0 | 112.4 | ||||
| 1633 | M | 20.7 | Very low | 22.9 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | trans | -91.3 | 162.5 | 170.2 | -43.2 | 169.1 | -166.5 | 0 | 0 | 112.2 | ||||
| 1634 | K | 23.6 | Very low | 23.1 | Very low | 192 Ų | 192 | 154.8 Ų | 154.8 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | 171.7 | 169.2 | 123.7 | -94.4 | 159.2 | -176.1 | 177.1 | 0 | 113.7 | |||||
| 1635 | K | 25.3 | Very low | 23.3 | Very low | 203 Ų | 203 | 154 Ų | 154 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | 72.2 | 93.2 | -174.9 | -56.3 | -175.5 | -179.6 | -178.2 | 0 | 112.4 | ||||
| 1636 | R | 21.3 | Very low | 23.4 | Very low | 230 Ų | 230 | 156.2 Ų | 156.2 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | cis | 76.1 | 101.6 | 32.2 | -157.7 | -169.1 | -167.1 | -173.6 | 6.2 | 113.9 | T1638 | R1636-T1638 HydrophobicContact CG-CG2 4.16Š| ||
| 1637 | L | 25.1 | Very low | 23.2 | Very low | 176 Ų | 176 | 157.3 Ų | 157.3 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -134.2 | 157.7 | 153.4 | -89 | 170.3 | 0 | 0 | 0 | 107.7 | ||||
| 1638 | T | 24.4 | Very low | 23.3 | Very low | 105 Ų | 105 | 158.3 Ų | 158.3 | 64% | 0.644 | 78% | 0.784 | S | S | * | * | trans | -152 | 127.7 | -156.7 | 47 | 0 | 0 | 0 | 0 | 114.4 | R1636 | R1636-T1638 HydrophobicContact CG-CG2 4.16Š| ||
| 1639 | T | 26.4 | Very low | 23.3 | Very low | 130 Ų | 130 | 155.5 Ų | 155.5 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -163.5 | 127.8 | 153.4 | 43.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1640 | D | 22.2 | Very low | 23.5 | Very low | 150 Ų | 150 | 153.4 Ų | 153.4 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | 58.8 | 133.4 | 67.1 | -70.2 | -22.9 | 0 | 0 | 0 | 113.2 | |||||
| 1641 | M | 21.2 | Very low | 23.7 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -153 | -155.4 | -0.1 | -122.4 | -126.7 | -64.4 | 0 | 0 | 111.5 | V1643 | M1641-V1643 HydrophobicContact SD-CG2 4.41Š| ||
| 1642 | D | 29.2 | Very low | 23.7 | Very low | 146 Ų | 146 | 156 Ų | 156 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | 74.6 | 104.3 | 177.7 | -56.8 | -19.2 | 0 | 0 | 0 | 115.7 | ||||
| 1643 | V | 21.9 | Very low | 23.9 | Very low | 107 Ų | 107 | 157.8 Ų | 157.8 | 65% | 0.648 | 78% | 0.781 | S | S | * | * | cis | 77.9 | 94.1 | 42 | -170.7 | 0 | 0 | 0 | 0 | 114.3 | M1641 | M1641-V1643 HydrophobicContact SD-CG2 4.41Š| ||
| 1644 | Q | 26 | Very low | 24.1 | Very low | 161 Ų | 161 | 155.1 Ų | 155.1 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | -167.6 | 156.7 | 117 | -101.1 | -53.9 | -16.2 | 0 | 0 | 112.7 | |||||
| 1645 | N | 23.7 | Very low | 24.1 | Very low | 123 Ų | 123 | 153.1 Ų | 153.1 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | trans | -80.3 | 154.7 | -175.2 | -57 | -90 | 0 | 0 | 0 | 112.7 | ||||
| 1646 | F | 22.9 | Very low | 23.9 | Very low | 212 Ų | 212 | 150.2 Ų | 150.2 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | trans | -147.6 | 148.5 | 139.8 | -121 | -80.8 | 0 | 0 | 0 | 111.9 | ||||
| 1647 | I | 21.9 | Very low | 24 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 65% | 0.651 | 76% | 0.758 | S | S | * | * | trans | -117.1 | 164.8 | -167.1 | -63.9 | 169.3 | 0 | 0 | 0 | 110.2 | ||||
| 1648 | F | 23.7 | Very low | 23.9 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | 126.6 | 86.6 | 160.3 | -84.5 | -99.8 | 0 | 0 | 0 | 111.9 | ||||
| 1649 | T | 22.6 | Very low | 23.8 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 58% | 0.583 | 75% | 0.753 | S | S | * | * | 59.2 | 112.8 | 84.7 | 67.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1650 | N | 24.9 | Very low | 23.7 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | -179 | 115.5 | 123.7 | -101.6 | -37.9 | 0 | 0 | 0 | 112.8 | |||||
| 1651 | S | 25.8 | Very low | 23.8 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | -161.5 | 96.3 | 159.3 | 57.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1652 | Y | 21.6 | Very low | 23.9 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | trans | -92.8 | 129.1 | 173.6 | -83.3 | -94 | 0 | 0 | 0 | 110.5 | ||||
| 1653 | H | 28.3 | Very low | 23.7 | Very low | 191 Ų | 191 | 138.4 Ų | 138.4 | 88% | 0.884 | 75% | 0.749 | S | S | * | * | trans | -152.6 | 144.3 | 148.2 | -132 | -84.1 | 0 | 0 | 0 | 109.8 | ||||
| 1654 | T | 23.4 | Very low | 23.9 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | trans | -129.3 | 118.5 | -164.4 | -48.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1655 | L | 24.3 | Very low | 23.8 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 173.7 | 99.8 | 161.2 | -94.3 | 143.1 | 0 | 0 | 0 | 105.9 | ||||
| 1656 | L | 21.8 | Very low | 23.8 | Very low | 142 Ų | 142 | 140 Ų | 140 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | 62.8 | 95 | 99.2 | -68.1 | 166.4 | 0 | 0 | 0 | 112.5 | |||||
| 1657 | T | 23.6 | Very low | 24.3 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 59.1 | 129.6 | 86 | 65.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1658 | T | 23 | Very low | 24.4 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | -158.8 | 173 | 55.4 | 48 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1659 | T | 22 | Very low | 24.4 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | cis | -166.2 | -177.9 | -19.8 | 32.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1660 | T | 23.9 | Very low | 24.4 | Very low | 112 Ų | 112 | 136 Ų | 136 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | 78.6 | 115.9 | 154.4 | 61.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1661 | N | 23.6 | Very low | 24.4 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 64.6 | 139.3 | 132.9 | -56.4 | -0.6 | 0 | 0 | 0 | 120.7 | ||||
| 1662 | S | 23.5 | Very low | 24.3 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | cis | -166.7 | 115.3 | -16.3 | 47.1 | 0 | 0 | 0 | 0 | 109.8 | N1664 | S1662-N1664 PolarHBondContact O-N 3.29Š| ||
| 1663 | S | 25.3 | Very low | 24.3 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -96.1 | 88.6 | 178 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1664 | N | 26.1 | Very low | 24.1 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -74.9 | 122.6 | 162.9 | -83.3 | -11.4 | 0 | 0 | 0 | 109.4 | S1662 | S1662-N1664 PolarHBondContact O-N 3.29Š| ||
| 1665 | N | 24.4 | Very low | 24.2 | Very low | 167 Ų | 167 | 132 Ų | 132 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | -150 | 96 | 160 | -101 | -28.5 | 0 | 0 | 0 | 108.1 | ||||
| 1666 | S | 23.9 | Very low | 24.3 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -102 | 157.4 | 169.1 | 48.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1667 | P | 33 | Very low | 24.4 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | -101.3 | 144.2 | -161.8 | 36.9 | -33.9 | 0 | 0 | 0 | 114.9 | ||||
| 1668 | T | 24.4 | Very low | 24.4 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | -147.9 | 121.7 | 161.6 | 28.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1669 | I | 22.1 | Very low | 24.6 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | 79.9 | 97 | 89.5 | -69.3 | -180 | 0 | 0 | 0 | 113.4 | |||||
| 1670 | I | 23.2 | Very low | 24.7 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | 57.8 | 133.5 | 122.3 | -60.3 | 166.1 | 0 | 0 | 0 | 120.4 | |||||
| 1671 | D | 24.6 | Very low | 24.8 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | 85.6 | 145.5 | 151.1 | -89.9 | 2.2 | 0 | 0 | 0 | 123.7 | ||||
| 1672 | N | 23.7 | Very low | 24.9 | Very low | 115 Ų | 115 | 128 Ų | 128 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | trans | 43.7 | 135.8 | 142.2 | -65.5 | -42.2 | 0 | 0 | 0 | 119.3 | ||||
| 1673 | R | 22.9 | Very low | 24.9 | Very low | 210 Ų | 210 | 128.5 Ų | 128.5 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | cis | 160.1 | 149.2 | -3.2 | -118.1 | -178.3 | 179.5 | 178.3 | -0.7 | 102.2 | ||||
| 1674 | T | 24.3 | Very low | 24.8 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | trans | 58.4 | 140.6 | 153 | 50.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1675 | T | 25.5 | Very low | 24.8 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | 65.5 | 143.5 | 148.2 | 53.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1676 | D | 25.1 | Very low | 24.6 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | cis | -158.1 | 162 | -8.5 | -118.6 | -20.5 | 0 | 0 | 0 | 114.3 | ||||
| 1677 | T | 23.7 | Very low | 24.6 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 63% | 0.632 | 72% | 0.724 | S | S | * | * | trans | 30.1 | 145.1 | 150.2 | 66.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1678 | T | 25 | Very low | 24.1 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | 75.4 | 167.8 | 161.2 | 88.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1679 | T | 25.7 | Very low | 24 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | cis | -146.9 | 150.7 | 9.1 | -5.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1680 | N | 25.3 | Very low | 24.1 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | 58.9 | 141.4 | 139.7 | -64.4 | -5.8 | 0 | 0 | 0 | 124.2 | ||||
| 1681 | T | 25 | Very low | 24 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | trans | 71.9 | 154.9 | 137.2 | 52 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1682 | T | 25.8 | Very low | 24.1 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | cis | -154.4 | 171.8 | 9.5 | -10.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1683 | T | 23.9 | Very low | 24 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | trans | 65.2 | 113.7 | 145.5 | 48.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1684 | T | 24 | Very low | 23.9 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 77% | 0.767 | 73% | 0.731 | S | S | * | * | 54.3 | 151.1 | 116.6 | 9 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1685 | T | 25.7 | Very low | 23.8 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | cis | -140 | 162.7 | 20.3 | 49 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1686 | M | 20.6 | Very low | 23.6 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -9 | 154.7 | 141.2 | -59.9 | -72.1 | 102.1 | 0 | 0 | 117.9 | ||||
| 1687 | S | 24.1 | Very low | 23.4 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | cis | -150.8 | 170 | 26 | 52.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1688 | S | 21 | Very low | 23.2 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -99.2 | 163.1 | 177 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1689 | I | 23.1 | Very low | 23.2 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | -159.2 | 140.6 | 147.9 | -110.6 | 156.2 | 0 | 0 | 0 | 112.6 | ||||
| 1690 | N | 24.5 | Very low | 23.4 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | 54.6 | 105.7 | 164.7 | -64.6 | -4.5 | 0 | 0 | 0 | 122.2 | ||||
| 1691 | E | 21.4 | Very low | 23.3 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -69.6 | 168.9 | 142.1 | -39.4 | 165.1 | 128.3 | 0 | 0 | 111.1 | ||||
| 1692 | K | 25.7 | Very low | 23 | Very low | 168 Ų | 168 | 141 Ų | 141 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | 172.2 | 139.3 | 111.2 | -98.9 | -176.9 | 177.9 | 173.6 | 0 | 117.4 | |||||
| 1693 | F | 21.6 | Very low | 22.8 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | trans | 58 | 165.5 | 157.2 | -79.1 | -104.9 | 0 | 0 | 0 | 120.6 | ||||
| 1694 | L | 21.3 | Very low | 22.6 | Very low | 132 Ų | 132 | 144 Ų | 144 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | -173.8 | 147.6 | -54.4 | -151.7 | 78.6 | 0 | 0 | 0 | 109.1 | |||||
| 1695 | C | 21.5 | Very low | 22.3 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | 62.9 | 163.2 | 159.5 | -75.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1696 | N | 21.8 | Very low | 22.3 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | cis | -146.6 | 172.4 | -9.3 | -123 | -3.5 | 0 | 0 | 0 | 112.4 | ||||
| 1697 | T | 20 | Very low | 22.3 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -83.1 | 160.5 | 177.7 | 43.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1698 | I | 21.1 | Very low | 22.2 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 86% | 0.862 | 77% | 0.765 | S | S | * | * | trans | -160.5 | 150.4 | 145.4 | -102.1 | 151.9 | 0 | 0 | 0 | 108.5 | ||||
| 1699 | Q | 23.3 | Very low | 22.2 | Very low | 175 Ų | 175 | 150 Ų | 150 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -111.1 | -149.4 | 175.7 | -70.2 | -168.4 | -12.9 | 0 | 0 | 111.1 | ||||
| 1700 | P | 30.5 | Very low | 22.3 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | -111.6 | 176.2 | -100.1 | 37.3 | -23.2 | 0 | 0 | 0 | 112.2 | |||||
| 1701 | N | 23.1 | Very low | 22.2 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -159.5 | 134.2 | 149.9 | -100.2 | -34.9 | 0 | 0 | 0 | 111.5 | ||||
| 1702 | E | 19.6 | Very low | 22.3 | Very low | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -87.9 | 148.9 | 158.7 | -56.5 | 175.9 | 133.9 | 0 | 0 | 108 | ||||
| 1703 | I | 21.2 | Very low | 22.2 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | trans | -162.7 | 138 | 148.8 | -107 | 150.8 | 0 | 0 | 0 | 112.2 | ||||
| 1704 | N | 19.8 | Very low | 22.4 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 67% | 0.674 | 76% | 0.76 | S | S | * | * | trans | -18.7 | 135.8 | 174.8 | -67.3 | -44.7 | 0 | 0 | 0 | 121.5 | ||||
| 1705 | I | 18 | Very low | 22.5 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | 42.1 | 110.5 | 118.5 | -48.6 | 162.9 | 0 | 0 | 0 | 116.6 | |||||
| 1706 | H | 25.3 | Very low | 22.7 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | -135 | 122.6 | 137.1 | -117.5 | -78.2 | 0 | 0 | 0 | 110.8 | ||||
| 1707 | S | 19.6 | Very low | 23.1 | Very low | 97 Ų | 97 | 148 Ų | 148 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -76.7 | 125.6 | 173.8 | 51 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1708 | I | 23.7 | Very low | 23.8 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -125.6 | 103.6 | 161.4 | -60.8 | -179 | 0 | 0 | 0 | 107.6 | ||||
| 1709 | E | 19.9 | Very low | 24.2 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -79.1 | 121.6 | 170.7 | -64.1 | -173.2 | 126.1 | 0 | 0 | 110.1 | ||||
| 1710 | S | 25.6 | Very low | 24.7 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -148.8 | 124.1 | 157.1 | 57.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1711 | N | 21.5 | Very low | 25 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -76.4 | 139.7 | -162.9 | -100.2 | -66.1 | 0 | 0 | 0 | 113.8 | F1713 | N1711-F1713 HydrophobicContact CB-CD2 4.35Å; N1711-F1713 HydrophobicContact CB-CE2 4.44Å; N1711-F1713 PolarHBondContact O-N 2.63Å | ||
| 1712 | P | 24.1 | Very low | 25.6 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | -75.5 | 102.2 | 172.3 | 30.7 | -33.4 | 0 | 0 | 0 | 111 | N1714 | P1712-N1714 PolarHBondContact O-N 2.82Š| ||
| 1713 | F | 23.9 | Very low | 26.6 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 82% | 0.816 | 72% | 0.719 | S | S | * | * | trans | -78.5 | 84.1 | -174.7 | -109.1 | -89.9 | 0 | 0 | 0 | 114.6 | N1711 | N1711-F1713 HydrophobicContact CB-CD2 4.35Å; N1711-F1713 HydrophobicContact CB-CE2 4.44Å; N1711-F1713 PolarHBondContact O-N 2.63Å | ||
| 1714 | N | 25.2 | Very low | 27.6 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 51% | 0.508 | 70% | 0.704 | S | S | . | * | 60 | 83.1 | 124.6 | -153.3 | 5.7 | 0 | 0 | 0 | 118.6 | P1712 K1716 | P1712-N1714 PolarHBondContact O-N 2.82Å; N1714-K1716 PolarHBondContact O-N 2.72Å; N1714-K1716 VanDerWaalsContact OD1-CD 3.29Å; N1714-K1716 WeakPolarHBondContact OD1-CD 3.39Å; N1714-K1716 VanDerWaalsContact OD1-CG 3.32Å; N1714-K1716 WeakPolarHBondContact OD1-CG 3.46Å | |||
| 1715 | I | 24.3 | Very low | 28.6 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 90% | 0.903 | 70% | 0.699 | S | S | * | * | trans | -70.2 | 88.1 | 167.9 | -56 | 170.7 | 0 | 0 | 0 | 110.2 | ||||
| 1716 | K | 25.6 | Very low | 29.6 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 70% | 0.7 | 69% | 0.688 | S | S | * | * | trans | -145.3 | 30.3 | -178.4 | -78.9 | -166.5 | -175.7 | 168.4 | 0 | 116.6 | N1714 | N1714-K1716 PolarHBondContact O-N 2.72Å; N1714-K1716 VanDerWaalsContact OD1-CD 3.29Å; N1714-K1716 WeakPolarHBondContact OD1-CD 3.39Å; N1714-K1716 VanDerWaalsContact OD1-CG 3.32Å; N1714-K1716 WeakPolarHBondContact OD1-CG 3.46Å | ||
| 1717 | E | 30.7 | Very low | 30.2 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 76% | 0.757 | 67% | 0.674 | S | S | * | * | trans | -82.3 | -31.6 | -177.1 | -61.9 | -146.7 | 112 | 0 | 0 | 115.5 | R1719 L1720 | E1717-R1719 VanDerWaalsContact C-N 3.28Å; E1717-R1719 PolarHBondContact O-N 2.82Å; E1717-R1719 VanDerWaalsContact O-N 3.15Å; E1717-L1720 WeakPolarHBondContact O-CA 3.48Å; E1717-L1720 VanDerWaalsContact O-CB 3.27Å; E1717-L1720 WeakPolarHBondContact O-CB 3.38Å; E1717-L1720 PolarHBondContact O-N 3.33Å | ||
| 1718 | D | 32.9 | Very low | 31.3 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63.6 | -27.5 | -171.7 | -68.5 | -46.9 | 0 | 0 | 0 | 114.8 | L1720 L1721 | D1718-L1720 PolarHBondContact O-N 2.93Å; D1718-L1721 PolarHBondContact O-N 3.1Å |
| 1719 | R | 30.1 | Very low | 32.1 | Very low | 222 Ų | 222 | 134.4 Ų | 134.4 | 84% | 0.838 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76 | -10 | 173.4 | -101.3 | -172.6 | -84.6 | -151.8 | -4.9 | 113.9 | E1717 | E1717-R1719 VanDerWaalsContact C-N 3.28Å; E1717-R1719 PolarHBondContact O-N 2.82Å; E1717-R1719 VanDerWaalsContact O-N 3.15Å |
| 1720 | L | 33.9 | Very low | 33.1 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 51% | 0.513 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -85.6 | -31.4 | 171.5 | -150.7 | 79.7 | 0 | 0 | 0 | 112 | E1717 D1718 K1724 | E1717-L1720 WeakPolarHBondContact O-CA 3.48Å; E1717-L1720 VanDerWaalsContact O-CB 3.27Å; E1717-L1720 WeakPolarHBondContact O-CB 3.38Å; E1717-L1720 PolarHBondContact O-N 3.33Å; D1718-L1720 PolarHBondContact O-N 2.93Å; L1720-K1724 WeakPolarHBondContact O-CB 3.35Å; L1720-K1724 WeakPolarHBondContact O-CG 3.2Å; L1720-K1724 PolarHBondContact O-N 3.41Å |
| 1721 | L | 36.1 | Very low | 33.7 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 61% | 0.613 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.1 | -44.2 | -177.3 | -152 | 77.2 | 0 | 0 | 0 | 112.1 | D1718 K1724 Q1725 | D1718-L1721 PolarHBondContact O-N 3.1Å; L1721-K1724 PolarHBondContact O-N 2.85Å; L1721-Q1725 PolarHBondContact O-N 2.83Å |
| 1722 | L | 37.3 | Very low | 34.5 | Very low | 101 Ų | 101 | 134 Ų | 134 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.5 | -43.2 | 177.6 | -173 | 63.6 | 0 | 0 | 0 | 112 | Q1725 Q1726 | L1722-Q1725 PolarHBondContact O-N 2.79Å; L1722-Q1726 PolarHBondContact O-N 2.84Å |
| 1723 | N | 40.2 | Very low | 35 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 51% | 0.513 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.9 | -35.5 | 174.5 | -86 | -24.8 | 0 | 0 | 0 | 112.4 | Q1726 Q1727 | N1723-Q1726 PolarHBondContact O-N 2.84Å; N1723-Q1727 WeakPolarHBondContact O-CB 3.37Å; N1723-Q1727 WeakPolarHBondContact O-CG 3.5Å; N1723-Q1727 PolarHBondContact O-N 3.17Å |
| 1724 | K | 41.8 | Very low | 35.3 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 51% | 0.509 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.5 | -37.9 | 172.4 | -83.5 | 177.9 | 175.9 | 174.2 | 0 | 112.6 | L1720 L1721 Q1728 | L1720-K1724 WeakPolarHBondContact O-CB 3.35Å; L1720-K1724 WeakPolarHBondContact O-CG 3.2Å; L1720-K1724 PolarHBondContact O-N 3.41Å; L1721-K1724 PolarHBondContact O-N 2.85Å; K1724-Q1728 WeakPolarHBondContact O-CB 3.49Å; K1724-Q1728 WeakPolarHBondContact O-CG 3.41Å; K1724-Q1728 PolarHBondContact O-N 2.9Å |
| 1725 | Q | 41.4 | Very low | 35.5 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 55% | 0.551 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.9 | -45.1 | 173.4 | -83 | -170.4 | -16.4 | 0 | 0 | 112 | L1721 L1722 Q1728 Q1729 | L1721-Q1725 PolarHBondContact O-N 2.83Å; L1722-Q1725 PolarHBondContact O-N 2.79Å; Q1725-Q1728 PolarHBondContact O-N 3.14Å; Q1725-Q1729 PolarHBondContact O-N 2.85Å |
| 1726 | Q | 38.5 | Very low | 35.9 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 50% | 0.5 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -64.7 | -40.7 | 177 | -68.6 | -172.7 | 2.3 | 0 | 0 | 112.1 | L1722 N1723 Q1729 Q1730 | L1722-Q1726 PolarHBondContact O-N 2.84Å; N1723-Q1726 PolarHBondContact O-N 2.84Å; Q1726-Q1729 PolarHBondContact O-N 3.02Å; Q1726-Q1730 PolarHBondContact O-N 3.21Å |
| 1727 | Q | 38.1 | Very low | 36 | Very low | 117 Ų | 117 | 140 Ų | 140 | 55% | 0.547 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -64.7 | -37.7 | 172.9 | -78.5 | -169.8 | -13.9 | 0 | 0 | 113 | N1723 Q1730 Q1731 | N1723-Q1727 WeakPolarHBondContact O-CB 3.37Å; N1723-Q1727 WeakPolarHBondContact O-CG 3.5Å; N1723-Q1727 PolarHBondContact O-N 3.17Å; Q1727-Q1730 PolarHBondContact O-N 2.95Å; Q1727-Q1731 WeakPolarHBondContact O-CB 3.25Å; Q1727-Q1731 WeakPolarHBondContact O-CG 3.47Å; Q1727-Q1731 PolarHBondContact O-N 3.11Å |
| 1728 | Q | 42.3 | Very low | 35.9 | Very low | 121 Ų | 121 | 140 Ų | 140 | 57% | 0.565 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.3 | -37.4 | 174.8 | -80.4 | -172 | -1.7 | 0 | 0 | 112.4 | K1724 Q1725 Q1732 | K1724-Q1728 WeakPolarHBondContact O-CB 3.49Å; K1724-Q1728 WeakPolarHBondContact O-CG 3.41Å; K1724-Q1728 PolarHBondContact O-N 2.9Å; Q1725-Q1728 PolarHBondContact O-N 3.14Å; Q1728-Q1732 WeakPolarHBondContact O-CG 3.38Å; Q1728-Q1732 PolarHBondContact O-N 3.09Å; Q1728-Q1732 VanDerWaalsContact O-N 3.12Å |
| 1729 | Q | 41.2 | Very low | 35.7 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 62% | 0.617 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.6 | -40.5 | 174.2 | -70.3 | -174.3 | 8.1 | 0 | 0 | 112 | Q1725 Q1726 Q1732 | Q1725-Q1729 PolarHBondContact O-N 2.85Å; Q1726-Q1729 PolarHBondContact O-N 3.02Å; Q1729-Q1732 PolarHBondContact O-N 2.64Å |
| 1730 | Q | 39.4 | Very low | 35.6 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 65% | 0.645 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.5 | -42.1 | 175.1 | -70.9 | -177 | -0.9 | 0 | 0 | 112.8 | Q1726 Q1727 Q1732 Q1733 | Q1726-Q1730 PolarHBondContact O-N 3.21Å; Q1727-Q1730 PolarHBondContact O-N 2.95Å; Q1730-Q1732 VanDerWaalsContact C-N 3.29Å; Q1730-Q1732 PolarHBondContact O-N 3.4Å; Q1730-Q1733 PolarHBondContact O-N 2.86Å; Q1730-Q1733 VanDerWaalsContact O-N 3.07Å |
| 1731 | Q | 39.2 | Very low | 35.1 | Very low | 135 Ų | 135 | 144 Ų | 144 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -63.9 | -32.5 | 177.6 | -75.5 | -178.2 | 13 | 0 | 0 | 112.8 | Q1727 Q1733 | Q1727-Q1731 WeakPolarHBondContact O-CB 3.25Å; Q1727-Q1731 WeakPolarHBondContact O-CG 3.47Å; Q1727-Q1731 PolarHBondContact O-N 3.11Å; Q1731-Q1733 PolarHBondContact O-N 2.88Å |
| 1732 | Q | 38.2 | Very low | 34.7 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 72% | 0.724 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68 | -18.8 | 174.3 | -76.1 | -176.9 | 47.5 | 0 | 0 | 113.8 | Q1728 Q1729 Q1730 | Q1728-Q1732 WeakPolarHBondContact O-CG 3.38Å; Q1728-Q1732 PolarHBondContact O-N 3.09Å; Q1728-Q1732 VanDerWaalsContact O-N 3.12Å; Q1729-Q1732 PolarHBondContact O-N 2.64Å; Q1730-Q1732 VanDerWaalsContact C-N 3.29Å; Q1730-Q1732 PolarHBondContact O-N 3.4Å |
| 1733 | Q | 33.6 | Very low | 34.3 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -94.6 | -21.6 | -177.7 | -67.1 | -172.4 | 14.6 | 0 | 0 | 114.7 | Q1730 Q1731 | Q1730-Q1733 PolarHBondContact O-N 2.86Å; Q1730-Q1733 VanDerWaalsContact O-N 3.07Å; Q1731-Q1733 PolarHBondContact O-N 2.88Å |
| 1734 | Q | 30.5 | Very low | 33.7 | Very low | 173 Ų | 173 | 155 Ų | 155 | 81% | 0.808 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -98.9 | -11.7 | -176.3 | -67.3 | -162.4 | -5.9 | 0 | 0 | 115.8 | ||
| 1735 | H | 30 | Very low | 33 | Very low | 163 Ų | 163 | 160.9 Ų | 160.9 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -114.2 | 75.6 | 175.6 | -87.9 | -46.3 | 0 | 0 | 0 | 113.2 | ||
| 1736 | H | 32.4 | Very low | 32.5 | Very low | 185 Ų | 185 | 164.2 Ų | 164.2 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | -163.8 | 63.4 | 149.1 | -113.1 | 73.1 | 0 | 0 | 0 | 114.2 | ||||
| 1737 | H | 28.4 | Very low | 32 | Very low | 178 Ų | 178 | 169.8 Ų | 169.8 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -145.6 | 68.9 | 166.6 | -116.8 | 71.6 | 0 | 0 | 0 | 113.7 | ||||
| 1738 | H | 28.1 | Very low | 31.5 | Very low | 160 Ų | 160 | 176 Ų | 176 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -176.7 | 159.2 | 133 | -103 | 76.8 | 0 | 0 | 0 | 112.4 | ||
| 1739 | H | 28.8 | Very low | 30.6 | Very low | 168 Ų | 168 | 180.5 Ų | 180.5 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 40.6 | 88.7 | 165.9 | -67.6 | -67.8 | 0 | 0 | 0 | 120.2 | ||
| 1740 | H | 29 | Very low | 29.8 | Very low | 146 Ų | 146 | 185 Ų | 185 | 68% | 0.676 | 78% | 0.782 | S | S | * | * | -160.3 | 10.4 | 119.2 | -126 | -60.2 | 0 | 0 | 0 | 118.3 | D1742 | H1740-D1742 PolarHBondContact O-N 3.4Å; H1740-D1742 VanDerWaalsContact O-N 3.14Å | |||
| 1741 | Y | 23.4 | Very low | 29.1 | Very low | 231 Ų | 231 | 184.2 Ų | 184.2 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -61 | -30.9 | -159.1 | -129.1 | -107 | 0 | 0 | 0 | 117 | R1743 | Y1741-R1743 PolarHBondContact O-N 3.49Š|
| 1742 | D | 27.1 | Very low | 28.5 | Very low | 114 Ų | 114 | 185.6 Ų | 185.6 | 61% | 0.61 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -89.3 | 15.4 | -168.8 | -162.4 | 30.6 | 0 | 0 | 0 | 116.7 | H1740 R1746 | H1740-D1742 PolarHBondContact O-N 3.4Å; H1740-D1742 VanDerWaalsContact O-N 3.14Å; D1742-R1746 VanDerWaalsContact CG-NH1 3.33Å; D1742-R1746 IonicContact OD1-CZ 2.62Å; D1742-R1746 IonicContact OD1-NH1 2.75Å; D1742-R1746 PolarHBondContact OD1-NH1 3.45Å; D1742-R1746 IonicContact OD2-NH1 3.32Å; D1742-R1746 PolarHBondContact OD2-NH1 2.97Å; D1742-R1746 VanDerWaalsContact OD2-NH1 3.07Å |
| 1743 | R | 27.7 | Very low | 27.7 | Very low | 199 Ų | 199 | 183.1 Ų | 183.1 | 75% | 0.751 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -109.3 | -18.5 | 173.8 | -76.3 | -169 | 179.3 | 176.6 | 2 | 116.2 | Y1741 | Y1741-R1743 PolarHBondContact O-N 3.49Š|
| 1744 | R | 28.8 | Very low | 27.4 | Very low | 231 Ų | 231 | 185.9 Ų | 185.9 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -36.8 | -176.7 | -92.9 | 179.6 | 169.7 | 157.2 | -2.8 | 114.7 | R1746 R1747 | R1744-R1746 VanDerWaalsContact C-N 3.26Å; R1744-R1746 PolarHBondContact O-N 3.09Å; R1744-R1747 PolarHBondContact O-N 2.94Å |
| 1745 | R | 27.3 | Very low | 27.6 | Very low | 240 Ų | 240 | 182 Ų | 182 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -25.8 | -173.4 | -145.6 | 175.5 | -167.8 | -173.1 | 3.5 | 114.2 | ||
| 1746 | R | 29.8 | Very low | 27.3 | Very low | 189 Ų | 189 | 185.7 Ų | 185.7 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -9.2 | -177.2 | -69.7 | -179.3 | 174.8 | 103.8 | -6 | 115.8 | D1742 R1744 | D1742-R1746 VanDerWaalsContact CG-NH1 3.33Å; D1742-R1746 IonicContact OD1-CZ 2.62Å; D1742-R1746 IonicContact OD1-NH1 2.75Å; D1742-R1746 PolarHBondContact OD1-NH1 3.45Å; D1742-R1746 IonicContact OD2-NH1 3.32Å; D1742-R1746 PolarHBondContact OD2-NH1 2.97Å; D1742-R1746 VanDerWaalsContact OD2-NH1 3.07Å; R1744-R1746 VanDerWaalsContact C-N 3.26Å; R1744-R1746 PolarHBondContact O-N 3.09Å |
| 1747 | R | 28.4 | Very low | 27 | Very low | 223 Ų | 223 | 182.1 Ų | 182.1 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -102.1 | -12 | -172.8 | -83.2 | -171.9 | 174.6 | 179.1 | -0.7 | 117.4 | R1744 | R1744-R1747 PolarHBondContact O-N 2.94Š|
| 1748 | R | 27.7 | Very low | 26.8 | Very low | 249 Ų | 249 | 181 Ų | 181 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -93 | 1.6 | -178.1 | -87.8 | -172.4 | 173.2 | 177.9 | -2 | 116.6 | ||
| 1749 | R | 24 | Very low | 26.7 | Very low | 214 Ų | 214 | 183.5 Ų | 183.5 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -99.9 | 22.7 | 178.7 | -92.4 | -170.5 | 173 | -171.1 | -3.6 | 115.3 | ||
| 1750 | R | 23.9 | Very low | 26.5 | Very low | 228 Ų | 228 | 184.1 Ų | 184.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -138.4 | 111.2 | 170.4 | -73.2 | -169.5 | 177.7 | -177.3 | -0.7 | 112.4 | ||
| 1751 | C | 24.4 | Very low | 26.4 | Very low | 120 Ų | 120 | 183.1 Ų | 183.1 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | 54 | 103.5 | 155.7 | -54.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1752 | I | 27.2 | Very low | 26.3 | Very low | 164 Ų | 164 | 179.1 Ų | 179.1 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | -171.4 | 110.4 | 112.2 | -92.3 | 152.3 | 0 | 0 | 0 | 106.7 | |||||
| 1753 | S | 21.4 | Very low | 26.1 | Very low | 104 Ų | 104 | 178.7 Ų | 178.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -80.8 | 147.5 | 139.1 | 50.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1754 | W | 27.2 | Very low | 25.9 | Very low | 224 Ų | 224 | 177.7 Ų | 177.7 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | 172.9 | 160.3 | 144.9 | -101.9 | 60.3 | 0 | 0 | 0 | 107.1 | ||||
| 1755 | P | 35 | Very low | 25.6 | Very low | 92 Ų | 92 | 174.5 Ų | 174.5 | 60% | 0.597 | 80% | 0.799 | S | S | * | * | -94.2 | 163 | -129.2 | 33.9 | -38.3 | 0 | 0 | 0 | 116.6 | T1757 | P1755-T1757 PolarHBondContact O-N 3.18Š| |||
| 1756 | Y | 23.7 | Very low | 25.4 | Very low | 241 Ų | 241 | 173.4 Ų | 173.4 | 95% | 0.945 | 80% | 0.796 | S | S | * | * | trans | -69.4 | 109.8 | 161.6 | -81.4 | -103.9 | 0 | 0 | 0 | 110.2 | ||||
| 1757 | T | 24.8 | Very low | 25.1 | Very low | 110 Ų | 110 | 172.2 Ų | 172.2 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | trans | -136.2 | 83 | 162.1 | 50.3 | 0 | 0 | 0 | 0 | 108.9 | P1755 | P1755-T1757 PolarHBondContact O-N 3.18Š| ||
| 1758 | L | 25.8 | Very low | 24.8 | Very low | 153 Ų | 153 | 169.3 Ų | 169.3 | 80% | 0.801 | 81% | 0.805 | S | S | * | * | trans | -157.7 | 63.4 | 165.6 | -143.3 | 85.1 | 0 | 0 | 0 | 110.3 | ||||
| 1759 | Y | 24.5 | Very low | 24.5 | Very low | 213 Ų | 213 | 166 Ų | 166 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -143.6 | 54 | 169.4 | -113.4 | -81.1 | 0 | 0 | 0 | 109.4 | L1761 | Y1759-L1761 HydrophobicContact CD1-CD1 3.63Å; Y1759-L1761 HydrophobicContact CE1-CD1 3.65Å | ||
| 1760 | E | 25.6 | Very low | 24.6 | Very low | 182 Ų | 182 | 167.5 Ų | 167.5 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -98.4 | 117.7 | 147.9 | -81.7 | 167.9 | -179.5 | 0 | 0 | 105.2 | ||||
| 1761 | L | 26 | Very low | 24.5 | Very low | 125 Ų | 125 | 165 Ų | 165 | 65% | 0.654 | 80% | 0.803 | S | S | * | * | trans | -84.8 | 140.6 | 167.7 | -96.5 | 78.8 | 0 | 0 | 0 | 108.8 | Y1759 | Y1759-L1761 HydrophobicContact CD1-CD1 3.63Å; Y1759-L1761 HydrophobicContact CE1-CD1 3.65Å | ||
| 1762 | I | 22.1 | Very low | 24.4 | Very low | 146 Ų | 146 | 168 Ų | 168 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | 21.9 | 103.8 | 133.1 | -54.3 | 171.1 | 0 | 0 | 0 | 115 | ||||
| 1763 | P | 22.4 | Very low | 24.2 | Very low | 106 Ų | 106 | 165.5 Ų | 165.5 | 69% | 0.688 | 80% | 0.801 | S | S | * | * | trans | -67.5 | 143.2 | 154 | -13.9 | 29.8 | 0 | 0 | 0 | 111.3 | ||||
| 1764 | E | 24.2 | Very low | 24.1 | Very low | 177 Ų | 177 | 166.1 Ų | 166.1 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | 38.1 | 101.7 | 138.9 | -60.8 | 176.7 | 156.9 | 0 | 0 | 119.3 | ||||
| 1765 | L | 22.7 | Very low | 23.9 | Very low | 164 Ų | 164 | 162.8 Ų | 162.8 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -136.8 | 52.6 | 152.9 | -83 | -178 | 0 | 0 | 0 | 111.6 | ||||
| 1766 | Y | 21.8 | Very low | 23.1 | Very low | 217 Ų | 217 | 163.4 Ų | 163.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -148.9 | 144.4 | 162.4 | -99.4 | -78.1 | 0 | 0 | 0 | 109.8 | ||
| 1767 | L | 23.4 | Very low | 23 | Very low | 164 Ų | 164 | 157.8 Ų | 157.8 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | 62.1 | 61.5 | -175 | -72.2 | 85.5 | 0 | 0 | 0 | 116.2 | ||||
| 1768 | N | 22.2 | Very low | 22.9 | Very low | 163 Ų | 163 | 159.8 Ų | 159.8 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -83 | 99.2 | 138.8 | -100.9 | -40.5 | 0 | 0 | 0 | 108 | ||||
| 1769 | E | 23.3 | Very low | 22.7 | Very low | 179 Ų | 179 | 159.9 Ų | 159.9 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | 174.3 | 93.4 | 148 | -103 | 176.2 | -164.6 | 0 | 0 | 111.7 | ||||
| 1770 | Y | 25.5 | Very low | 22.8 | Very low | 245 Ų | 245 | 153.9 Ų | 153.9 | 96% | 0.961 | 79% | 0.786 | S | S | * | * | trans | -161.7 | 115.6 | 136.8 | -105.1 | -70.1 | 0 | 0 | 0 | 107.6 | ||||
| 1771 | K | 21.1 | Very low | 22.8 | Very low | 177 Ų | 177 | 152 Ų | 152 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -104.6 | 139.3 | -172.3 | -74.4 | -178.2 | 176.1 | 174.6 | 0 | 112 | ||||
| 1772 | H | 22.5 | Very low | 22.8 | Very low | 183 Ų | 183 | 152 Ų | 152 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | 62.1 | 153.4 | 169.6 | -50.2 | -66.1 | 0 | 0 | 0 | 113.9 | ||||
| 1773 | S | 22.9 | Very low | 23.1 | Very low | 110 Ų | 110 | 151.4 Ų | 151.4 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -147.2 | 171.5 | 22 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1774 | T | 19.2 | Very low | 23.5 | Very low | 117 Ų | 117 | 152 Ų | 152 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | -54.2 | 141.6 | 169.1 | 45.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1775 | I | 22.5 | Very low | 23.9 | Very low | 154 Ų | 154 | 148.8 Ų | 148.8 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | 175.9 | 111.9 | 129 | -88.4 | 151.1 | 0 | 0 | 0 | 106.6 | |||||
| 1776 | T | 19.8 | Very low | 24.4 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | 68.7 | 93.2 | 72 | -29.4 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1777 | T | 21.2 | Very low | 25 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | 65.4 | 170.8 | 148.8 | 56.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1778 | I | 22.6 | Very low | 25.4 | Very low | 152 Ų | 152 | 140 Ų | 140 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | trans | 73 | 99.8 | 179.1 | -48.5 | 174.2 | 0 | 0 | 0 | 111.5 | ||||
| 1779 | N | 21.7 | Very low | 25.9 | Very low | 154 Ų | 154 | 139 Ų | 139 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | 79 | 150.6 | 56.7 | -163.3 | 23.5 | 0 | 0 | 0 | 113.1 | |||||
| 1780 | S | 25.3 | Very low | 26.5 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 61% | 0.608 | 70% | 0.702 | S | S | * | * | trans | 78.1 | 115.7 | -177.4 | 74.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1781 | N | 25.6 | Very low | 26.9 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | 68.8 | 111 | 127.6 | -55.1 | 1.7 | 0 | 0 | 0 | 122.3 | |||||
| 1782 | N | 27.2 | Very low | 27.4 | Very low | 125 Ų | 125 | 132 Ų | 132 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | 75.3 | 134.2 | 125.1 | -75 | 52.1 | 0 | 0 | 0 | 123.5 | |||||
| 1783 | D | 27.2 | Very low | 27.9 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | trans | 57.1 | 79 | 135.9 | -50.3 | -24.5 | 0 | 0 | 0 | 118.9 | ||||
| 1784 | N | 31.1 | Very low | 28.7 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 64% | 0.642 | 66% | 0.662 | S | S | * | * | trans | -149 | 12.5 | 162.7 | -108.4 | -75.2 | 0 | 0 | 0 | 116.3 | E1786 L1787 | N1784-E1786 PolarHBondContact O-N 3.24Å; N1784-L1787 PolarHBondContact O-N 2.91Å | ||
| 1785 | D | 32.9 | Very low | 29.4 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 58% | 0.578 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.5 | -15.4 | -178.5 | -87.3 | -37 | 0 | 0 | 0 | 114.5 | L1787 K1788 Q1789 | D1785-L1787 PolarHBondContact O-N 3.33Å; D1785-K1788 PolarHBondContact O-N 2.85Å; D1785-K1788 WeakPolarHBondContact OD1-CD 3.4Å; D1785-K1788 WeakPolarHBondContact OD1-CE 3.41Å; D1785-K1788 IonicContact OD1-NZ 3.14Å; D1785-K1788 PolarHBondContact OD1-NZ 3.01Å; D1785-Q1789 PolarHBondContact O-N 3.08Å |
| 1786 | E | 32.8 | Very low | 30 | Very low | 123 Ų | 123 | 126 Ų | 126 | 58% | 0.575 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -60.6 | -32.6 | 172.9 | -132.4 | -142.9 | 120.4 | 0 | 0 | 112 | N1784 K1788 Q1789 R1790 | N1784-E1786 PolarHBondContact O-N 3.24Å; E1786-K1788 VanDerWaalsContact C-N 3.33Å; E1786-K1788 PolarHBondContact O-N 2.94Å; E1786-Q1789 PolarHBondContact O-N 3.29Å; E1786-R1790 WeakPolarHBondContact O-CG 3.27Å; E1786-R1790 PolarHBondContact O-N 2.95Å; E1786-R1790 VanDerWaalsContact O-N 3.07Å; E1786-R1790 IonicContact OE1-CZ 3.44Å; E1786-R1790 IonicContact OE1-NE 3.44Å; E1786-R1790 PolarHBondContact OE1-NE 3.44Å; E1786-R1790 IonicContact OE1-NH2 3.84Å; E1786-R1790 PolarHBondContact OE1-NH2 3.06Å; E1786-R1790 IonicContact OE2-NH2 2.62Å; E1786-R1790 PolarHBondContact OE2-NH2 2.81Å |
| 1787 | L | 34.7 | Very low | 30.7 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 51% | 0.508 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.7 | -31.7 | 179.2 | -124.2 | 86.8 | 0 | 0 | 0 | 112.7 | N1784 D1785 R1791 | N1784-L1787 PolarHBondContact O-N 2.91Å; D1785-L1787 PolarHBondContact O-N 3.33Å; L1787-R1791 PolarHBondContact O-N 3.4Å |
| 1788 | K | 32.6 | Very low | 31.4 | Very low | 140 Ų | 140 | 123.2 Ų | 123.2 | 61% | 0.609 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.7 | -42.4 | 175.5 | -69.7 | -179.7 | -167.6 | 146.3 | 0 | 111.2 | D1785 E1786 L1792 | D1785-K1788 PolarHBondContact O-N 2.85Å; D1785-K1788 WeakPolarHBondContact OD1-CD 3.4Å; D1785-K1788 WeakPolarHBondContact OD1-CE 3.41Å; D1785-K1788 IonicContact OD1-NZ 3.14Å; D1785-K1788 PolarHBondContact OD1-NZ 3.01Å; E1786-K1788 VanDerWaalsContact C-N 3.33Å; E1786-K1788 PolarHBondContact O-N 2.94Å; K1788-L1792 PolarHBondContact O-N 2.95Å |
| 1789 | Q | 33 | Very low | 32 | Very low | 142 Ų | 142 | 121.2 Ų | 121.2 | 66% | 0.664 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.4 | -38.5 | 178.3 | -69 | -150.9 | 16.8 | 0 | 0 | 112.6 | D1785 E1786 L1792 K1793 | D1785-Q1789 PolarHBondContact O-N 3.08Å; E1786-Q1789 PolarHBondContact O-N 3.29Å; Q1789-L1792 PolarHBondContact O-N 2.84Å; Q1789-K1793 PolarHBondContact O-N 2.83Å |
| 1790 | R | 34.2 | Very low | 32.4 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 54% | 0.543 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61 | -49.2 | 175.9 | -70.1 | -175.3 | -173.5 | -157 | 8.8 | 111.8 | E1786 L1792 K1793 D1794 | E1786-R1790 WeakPolarHBondContact O-CG 3.27Å; E1786-R1790 PolarHBondContact O-N 2.95Å; E1786-R1790 VanDerWaalsContact O-N 3.07Å; E1786-R1790 IonicContact OE1-CZ 3.44Å; E1786-R1790 IonicContact OE1-NE 3.44Å; E1786-R1790 PolarHBondContact OE1-NE 3.44Å; E1786-R1790 IonicContact OE1-NH2 3.84Å; E1786-R1790 PolarHBondContact OE1-NH2 3.06Å; E1786-R1790 IonicContact OE2-NH2 2.62Å; E1786-R1790 PolarHBondContact OE2-NH2 2.81Å; R1790-L1792 VanDerWaalsContact C-N 3.3Å; R1790-L1792 PolarHBondContact O-N 3.01Å; R1790-K1793 PolarHBondContact O-N 3.35Å; R1790-D1794 VanDerWaalsContact O-CG 3.32Å; R1790-D1794 PolarHBondContact O-N 2.89Å |
| 1791 | R | 33.9 | Very low | 32.8 | Very low | 190 Ų | 190 | 123.7 Ų | 123.7 | 72% | 0.717 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.5 | -34.6 | 177.6 | -72.1 | -173.7 | 178.2 | -169.4 | 0.5 | 114 | L1787 S1795 | L1787-R1791 PolarHBondContact O-N 3.4Å; R1791-S1795 WeakPolarHBondContact O-CB 3.24Å; R1791-S1795 PolarHBondContact O-N 2.83Å |
| 1792 | L | 31.9 | Very low | 32.9 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 63% | 0.634 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70 | -40.6 | 173.3 | -90.5 | 162.8 | 0 | 0 | 0 | 112.9 | K1788 Q1789 R1790 L1796 | K1788-L1792 PolarHBondContact O-N 2.95Å; Q1789-L1792 PolarHBondContact O-N 2.84Å; R1790-L1792 VanDerWaalsContact C-N 3.3Å; R1790-L1792 PolarHBondContact O-N 3.01Å; L1792-L1796 PolarHBondContact O-N 2.94Å |
| 1793 | K | 34.3 | Very low | 33.2 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.6 | -43.2 | 175.7 | -106.3 | 173.6 | 177.3 | 168.9 | 0 | 112.5 | Q1789 R1790 L1796 N1797 | Q1789-K1793 PolarHBondContact O-N 2.83Å; R1790-K1793 PolarHBondContact O-N 3.35Å; K1793-L1796 PolarHBondContact O-N 2.77Å; K1793-N1797 PolarHBondContact O-N 2.87Å |
| 1794 | D | 39.3 | Very low | 33.4 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.3 | -36.7 | -176.9 | -63.2 | -29.6 | 0 | 0 | 0 | 111.7 | R1790 N1797 S1798 | R1790-D1794 VanDerWaalsContact O-CG 3.32Å; R1790-D1794 PolarHBondContact O-N 2.89Å; D1794-N1797 PolarHBondContact O-N 2.89Å; D1794-S1798 WeakPolarHBondContact O-CB 3.43Å; D1794-S1798 PolarHBondContact O-N 2.91Å |
| 1795 | S | 34.5 | Very low | 33.4 | Very low | 69 Ų | 69 | 123 Ų | 123 | 48% | 0.483 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.5 | -43.9 | 171.7 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | R1791 S1798 N1799 | R1791-S1795 WeakPolarHBondContact O-CB 3.24Å; R1791-S1795 PolarHBondContact O-N 2.83Å; S1795-S1798 PolarHBondContact O-N 3.18Å; S1795-N1799 PolarHBondContact O-N 2.97Å |
| 1796 | L | 33.4 | Very low | 33.1 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 64% | 0.639 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.6 | -37.1 | 177.6 | -86.1 | 162.2 | 0 | 0 | 0 | 113.4 | L1792 K1793 R1800 | L1792-L1796 PolarHBondContact O-N 2.94Å; K1793-L1796 PolarHBondContact O-N 2.77Å; L1796-R1800 PolarHBondContact O-N 2.82Å |
| 1797 | N | 35.1 | Very low | 33 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 51% | 0.508 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.7 | -35.4 | 175.3 | -83.3 | -18 | 0 | 0 | 0 | 112.6 | K1793 D1794 R1800 N1801 | K1793-N1797 PolarHBondContact O-N 2.87Å; D1794-N1797 PolarHBondContact O-N 2.89Å; N1797-R1800 PolarHBondContact O-N 3.33Å; N1797-N1801 PolarHBondContact O-N 3.09Å |
| 1798 | S | 36.8 | Very low | 32.6 | Very low | 77 Ų | 77 | 123.8 Ų | 123.8 | 54% | 0.538 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.9 | -49.7 | 176.4 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | D1794 S1795 R1800 N1801 Y1802 | D1794-S1798 WeakPolarHBondContact O-CB 3.43Å; D1794-S1798 PolarHBondContact O-N 2.91Å; S1795-S1798 PolarHBondContact O-N 3.18Å; S1798-R1800 VanDerWaalsContact C-N 3.28Å; S1798-R1800 PolarHBondContact O-N 3.02Å; S1798-N1801 PolarHBondContact O-N 3.36Å; S1798-Y1802 PolarHBondContact O-N 2.92Å |
| 1799 | N | 34.5 | Very low | 32.4 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 59% | 0.588 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.3 | -30.3 | 178 | -75.4 | -23.6 | 0 | 0 | 0 | 113.3 | S1795 Y1802 | S1795-N1799 PolarHBondContact O-N 2.97Å; N1799-Y1802 PolarHBondContact O-N 3.29Å |
| 1800 | R | 29.8 | Very low | 32.1 | Very low | 177 Ų | 177 | 119.2 Ų | 119.2 | 67% | 0.668 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71 | -40.6 | 178.6 | -147.9 | 170.8 | -163.2 | 148.8 | 6.9 | 112.3 | L1796 N1797 S1798 Y1802 V1803 D1804 | L1796-R1800 PolarHBondContact O-N 2.82Å; N1797-R1800 PolarHBondContact O-N 3.33Å; S1798-R1800 VanDerWaalsContact C-N 3.28Å; S1798-R1800 PolarHBondContact O-N 3.02Å; R1800-Y1802 PolarHBondContact O-N 3.45Å; R1800-V1803 PolarHBondContact O-N 3.35Å; R1800-D1804 PolarHBondContact O-N 2.99Å; R1800-D1804 VanDerWaalsContact O-N 3.12Å |
| 1801 | N | 34 | Very low | 31.8 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62 | -31.1 | 175.4 | -74.5 | -25.9 | 0 | 0 | 0 | 112.8 | N1797 S1798 H1805 | N1797-N1801 PolarHBondContact O-N 3.09Å; S1798-N1801 PolarHBondContact O-N 3.36Å; N1801-H1805 WeakPolarHBondContact O-CB 3.1Å; N1801-H1805 PolarHBondContact O-N 2.92Å; N1801-H1805 VanDerWaalsContact O-N 3.17Å |
| 1802 | Y | 28.5 | Very low | 31.4 | Very low | 194 Ų | 194 | 117.1 Ų | 117.1 | 76% | 0.761 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.2 | -33.6 | 177.6 | -142.7 | -88.1 | 0 | 0 | 0 | 112.8 | S1798 N1799 R1800 | S1798-Y1802 PolarHBondContact O-N 2.92Å; N1799-Y1802 PolarHBondContact O-N 3.29Å; R1800-Y1802 PolarHBondContact O-N 3.45Å |
| 1803 | V | 32.7 | Very low | 31.1 | Very low | 84 Ų | 84 | 117.5 Ų | 117.5 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74.6 | -47.4 | 176.6 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | R1800 H1805 F1806 I1807 | R1800-V1803 PolarHBondContact O-N 3.35Å; V1803-H1805 VanDerWaalsContact C-N 3.27Å; V1803-H1805 PolarHBondContact O-N 3.44Å; V1803-F1806 PolarHBondContact O-N 2.81Å; V1803-F1806 VanDerWaalsContact O-N 3.12Å; V1803-I1807 HydrophobicContact CG1-CD1 3.84Å; V1803-I1807 PolarHBondContact O-N 2.91Å |
| 1804 | D | 31 | Very low | 30.7 | Very low | 97 Ų | 97 | 116.8 Ų | 116.8 | 52% | 0.519 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.4 | -27.9 | -178.5 | -77.6 | -29.6 | 0 | 0 | 0 | 112.7 | R1800 S1808 | R1800-D1804 PolarHBondContact O-N 2.99Å; R1800-D1804 VanDerWaalsContact O-N 3.12Å; D1804-S1808 WeakPolarHBondContact O-CB 3.32Å; D1804-S1808 PolarHBondContact O-N 3.46Å; D1804-S1808 PolarHBondContact O-OG 2.88Å |
| 1805 | H | 30.6 | Very low | 29.9 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 62% | 0.616 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.4 | -29 | 174.1 | -155 | -16.8 | 0 | 0 | 0 | 113 | N1801 V1803 S1808 T1809 | N1801-H1805 WeakPolarHBondContact O-CB 3.1Å; N1801-H1805 PolarHBondContact O-N 2.92Å; N1801-H1805 VanDerWaalsContact O-N 3.17Å; V1803-H1805 VanDerWaalsContact C-N 3.27Å; V1803-H1805 PolarHBondContact O-N 3.44Å; H1805-S1808 PolarHBondContact O-OG 3.32Å; H1805-T1809 PolarHBondContact O-OG1 2.93Å |
| 1806 | F | 26.6 | Very low | 29.5 | Very low | 158 Ų | 158 | 124.9 Ų | 124.9 | 69% | 0.693 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -78.5 | -29.9 | 178.4 | -151.6 | -89.9 | 0 | 0 | 0 | 112.9 | V1803 | V1803-F1806 PolarHBondContact O-N 2.81Å; V1803-F1806 VanDerWaalsContact O-N 3.12Å |
| 1807 | I | 30.6 | Very low | 29 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 54% | 0.538 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -83.7 | -21.6 | -178.8 | -64.4 | 174.4 | 0 | 0 | 0 | 112.4 | V1803 | V1803-I1807 HydrophobicContact CG1-CD1 3.84Å; V1803-I1807 PolarHBondContact O-N 2.91Å |
| 1808 | S | 26.7 | Very low | 28.5 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 57% | 0.566 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -86.7 | -20 | -174.1 | 47.7 | 0 | 0 | 0 | 0 | 115.4 | D1804 H1805 | D1804-S1808 WeakPolarHBondContact O-CB 3.32Å; D1804-S1808 PolarHBondContact O-N 3.46Å; D1804-S1808 PolarHBondContact O-OG 2.88Å; H1805-S1808 PolarHBondContact O-OG 3.32Å |
| 1809 | T | 29.3 | Very low | 28 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 52% | 0.521 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -95.1 | -12.4 | -171.2 | 50 | 0 | 0 | 0 | 0 | 115.2 | H1805 | H1805-T1809 PolarHBondContact O-OG1 2.93Š|
| 1810 | T | 27.3 | Very low | 27.6 | Very low | 100 Ų | 100 | 136 Ų | 136 | 61% | 0.613 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -96.2 | 3.7 | -172.3 | 51.7 | 0 | 0 | 0 | 0 | 115 | T1812 | T1810-T1812 PolarHBondContact O-N 3.16Š|
| 1811 | K | 26 | Very low | 27.3 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 83% | 0.83 | 69% | 0.692 | S | S | * | * | trans | -94 | 40.4 | 180 | -74.9 | -170.4 | 175.2 | 179.2 | 0 | 114.8 | ||||
| 1812 | T | 26.8 | Very low | 27 | Very low | 99 Ų | 99 | 137 Ų | 137 | 61% | 0.607 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -122.6 | 124.6 | 161.6 | 47.6 | 0 | 0 | 0 | 0 | 109.9 | T1810 I1814 | T1810-T1812 PolarHBondContact O-N 3.16Å; T1812-I1814 VanDerWaalsContact C-N 3.33Å; T1812-I1814 PolarHBondContact O-N 3.31Å |
| 1813 | P | 25.6 | Very low | 27 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 84% | 0.844 | 69% | 0.694 | S | S | * | * | trans | -81.4 | 78.3 | -173.4 | 33.2 | -35.7 | 0 | 0 | 0 | 111.1 | K1815 | P1813-K1815 PolarHBondContact O-N 3.48Š| ||
| 1814 | I | 24.7 | Very low | 27.4 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 66% | 0.656 | 71% | 0.71 | S | S | * | * | trans | -67.4 | 114.6 | 167.6 | -50.1 | -179.1 | 0 | 0 | 0 | 107.4 | T1812 I1816 | T1812-I1814 VanDerWaalsContact C-N 3.33Å; T1812-I1814 PolarHBondContact O-N 3.31Å; I1814-I1816 VanDerWaalsContact C-N 3.32Å; I1814-I1816 HydrophobicContact CB-CG1 4.23Å; I1814-I1816 HydrophobicContact CG2-CD1 4.13Å; I1814-I1816 HydrophobicContact CG2-CG1 3.64Å; I1814-I1816 PolarHBondContact O-N 2.73Å | ||
| 1815 | K | 24.1 | Very low | 28.1 | Very low | 202 Ų | 202 | 139.8 Ų | 139.8 | 88% | 0.878 | 71% | 0.71 | S | S | * | * | trans | -69 | 89.6 | 169.8 | -70.1 | -176.4 | 177.4 | -176.5 | 0 | 109.1 | P1813 | P1813-K1815 PolarHBondContact O-N 3.48Š| ||
| 1816 | I | 24.9 | Very low | 28.9 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | -96.6 | 128.5 | 167.5 | -54.5 | -175.5 | 0 | 0 | 0 | 107.1 | I1814 | I1814-I1816 VanDerWaalsContact C-N 3.32Å; I1814-I1816 HydrophobicContact CB-CG1 4.23Å; I1814-I1816 HydrophobicContact CG2-CD1 4.13Å; I1814-I1816 HydrophobicContact CG2-CG1 3.64Å; I1814-I1816 PolarHBondContact O-N 2.73Å | ||
| 1817 | N | 23.9 | Very low | 30.5 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | trans | -66.8 | 159.8 | -173.1 | -70.3 | -22.6 | 0 | 0 | 0 | 112.6 | T1819 | N1817-T1819 PolarHBondContact O-N 2.96Š| ||
| 1818 | E | 24.7 | Very low | 31.4 | Very low | 205 Ų | 205 | 142.3 Ų | 142.3 | 96% | 0.958 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -68.7 | 68 | -179.4 | -61.7 | 179.5 | 137.3 | 0 | 0 | 113.2 | ||
| 1819 | T | 26.4 | Very low | 32.8 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 63% | 0.632 | 72% | 0.717 | S | S | * | * | trans | -142.3 | 141 | 169.2 | 47.8 | 0 | 0 | 0 | 0 | 108.4 | N1817 | N1817-T1819 PolarHBondContact O-N 2.96Š| ||
| 1820 | Y | 24.2 | Very low | 34.9 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | trans | 80.1 | 55.2 | -173.2 | -55.3 | -74.8 | 0 | 0 | 0 | 117.6 | ||||
| 1821 | F | 25.4 | Very low | 37.5 | Very low | 223 Ų | 223 | 142.8 Ų | 142.8 | 98% | 0.978 | 71% | 0.709 | S | S | * | * | trans | -129.2 | 51.4 | 152.3 | -105.7 | -77.7 | 0 | 0 | 0 | 111.7 | ||||
| 1822 | S | 26.5 | Very low | 39.9 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | trans | -131.2 | 24.8 | -177.1 | 56 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1823 | Y | 29.8 | Very low | 42.5 | Very low | 197 Ų | 197 | 140.5 Ų | 140.5 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | trans | -130.6 | 66.5 | 169.8 | -73.6 | -73.3 | 0 | 0 | 0 | 111.1 | N1825 | Y1823-N1825 PolarHBondContact O-N 2.86Š| ||
| 1824 | T | 40.7 | Very low | 45.5 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 87% | 0.865 | 68% | 0.678 | S | S | * | * | trans | -61.4 | 103.5 | 158.9 | 43 | 0 | 0 | 0 | 0 | 107.9 | P1826 | T1824-P1826 VanDerWaalsContact O-N 3.16Š| ||
| 1825 | N | 44.5 | Very low | 48.6 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 51% | 0.513 | 67% | 0.666 | S | S | . | * | trans | -57.7 | 115.9 | -162.1 | -166.4 | -13.3 | 0 | 0 | 0 | 111.3 | Y1823 W1827 Y1828 | Y1823-N1825 PolarHBondContact O-N 2.86Å; N1825-W1827 PolarHBondContact O-N 2.9Å; N1825-W1827 VanDerWaalsContact OD1-CD1 3.31Å; N1825-Y1828 PolarHBondContact O-N 3.29Å | ||
| 1826 | P | 47.9 | Very low | 51.7 | Low | 91 Ų | 91 | 128.9 Ų | 128.9 | 59% | 0.591 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -20.8 | -167.4 | 21.6 | -33.8 | 0 | 0 | 0 | 113.8 | T1824 Y1828 S1829 L1830 | T1824-P1826 VanDerWaalsContact O-N 3.16Å; P1826-Y1828 PolarHBondContact O-N 2.81Å; P1826-S1829 PolarHBondContact O-N 2.93Å; P1826-S1829 VanDerWaalsContact O-N 3.13Å; P1826-L1830 PolarHBondContact O-N 3.22Å |
| 1827 | W | 59.8 | Low | 55 | Low | 164 Ų | 164 | 126.6 Ų | 126.6 | 62% | 0.621 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -50.3 | -35.4 | 168.5 | -76.6 | 88.5 | 0 | 0 | 0 | 114 | N1825 L1830 M1831 | N1825-W1827 PolarHBondContact O-N 2.9Å; N1825-W1827 VanDerWaalsContact OD1-CD1 3.31Å; W1827-L1830 PolarHBondContact O-N 2.84Å; W1827-M1831 HydrophobicContact CE3-CE 4.29Å; W1827-M1831 WeakPolarHBondContact O-CB 3.35Å; W1827-M1831 WeakPolarHBondContact O-CG 3.39Å; W1827-M1831 PolarHBondContact O-N 2.88Å |
| 1828 | Y | 49.4 | Very low | 58.3 | Low | 194 Ų | 194 | 125.4 Ų | 125.4 | 76% | 0.761 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.9 | -39.4 | 178.3 | -109.8 | -79.9 | 0 | 0 | 0 | 112.5 | N1825 P1826 L1832 | N1825-Y1828 PolarHBondContact O-N 3.29Å; P1826-Y1828 PolarHBondContact O-N 2.81Å; Y1828-L1832 PolarHBondContact O-N 3.23Å |
| 1829 | S | 57.1 | Low | 61.6 | Low | 82 Ų | 82 | 120.3 Ų | 120.3 | 57% | 0.573 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.9 | -40.8 | 174.8 | -174.2 | 0 | 0 | 0 | 0 | 111.1 | P1826 L1832 M1833 | P1826-S1829 PolarHBondContact O-N 2.93Å; P1826-S1829 VanDerWaalsContact O-N 3.13Å; S1829-L1832 PolarHBondContact O-N 2.87Å; S1829-M1833 PolarHBondContact O-N 3.16Å |
| 1830 | L | 73.2 | Confident | 64.8 | Low | 89 Ų | 89 | 119.8 Ų | 119.8 | 47% | 0.466 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.1 | -40.3 | 176.3 | -167.2 | 68.4 | 0 | 0 | 0 | 112.4 | P1826 W1827 M1833 N1834 | P1826-L1830 PolarHBondContact O-N 3.22Å; W1827-L1830 PolarHBondContact O-N 2.84Å; L1830-M1833 PolarHBondContact O-N 3.48Å; L1830-N1834 WeakPolarHBondContact O-CB 3.46Å; L1830-N1834 PolarHBondContact O-N 3.38Å; L1830-N1834 PolarHBondContact O-ND2 2.98Å |
| 1831 | M | 82 | Confident | 68.2 | Low | 105 Ų | 105 | 114.2 Ų | 114.2 | 52% | 0.517 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.5 | -37.7 | 174.2 | -73.7 | -70.7 | -178.6 | 0 | 0 | 112.2 | W1827 N1834 T1835 | W1827-M1831 HydrophobicContact CE3-CE 4.29Å; W1827-M1831 WeakPolarHBondContact O-CB 3.35Å; W1827-M1831 WeakPolarHBondContact O-CG 3.39Å; W1827-M1831 PolarHBondContact O-N 2.88Å; M1831-N1834 PolarHBondContact O-N 3.41Å; M1831-T1835 WeakPolarHBondContact O-CB 3.47Å; M1831-T1835 WeakPolarHBondContact O-CG2 3.3Å; M1831-T1835 PolarHBondContact O-N 2.96Å; M1831-T1835 PolarHBondContact O-OG1 3.5Å |
| 1832 | L | 76 | Confident | 71.5 | Confident | 120 Ų | 120 | 109.3 Ų | 109.3 | 63% | 0.628 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.8 | -42.2 | 175.4 | -146.1 | 78.2 | 0 | 0 | 0 | 111.5 | Y1828 S1829 T1835 V1836 | Y1828-L1832 PolarHBondContact O-N 3.23Å; S1829-L1832 PolarHBondContact O-N 2.87Å; L1832-T1835 WeakPolarHBondContact CA-OG1 3.22Å; L1832-T1835 PolarHBondContact O-OG1 3.3Å; L1832-V1836 WeakPolarHBondContact O-CG2 3.35Å; L1832-V1836 PolarHBondContact O-N 3.27Å; L1832-V1836 VanDerWaalsContact O-N 3.07Å |
| 1833 | M | 81.4 | Confident | 74.8 | Confident | 121 Ų | 121 | 109 Ų | 109 | 60% | 0.596 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.2 | -47.9 | 172.7 | -80.1 | -68.1 | -176.3 | 0 | 0 | 112 | S1829 L1830 T1835 V1836 I1837 | S1829-M1833 PolarHBondContact O-N 3.16Å; L1830-M1833 PolarHBondContact O-N 3.48Å; M1833-T1835 VanDerWaalsContact C-N 3.34Å; M1833-T1835 PolarHBondContact O-N 3.21Å; M1833-V1836 PolarHBondContact O-N 2.95Å; M1833-I1837 WeakPolarHBondContact O-CB 3.07Å; M1833-I1837 VanDerWaalsContact O-CG1 3.25Å; M1833-I1837 WeakPolarHBondContact O-CG1 3.28Å; M1833-I1837 PolarHBondContact O-N 3.5Å |
| 1834 | N | 88.8 | Confident | 77.9 | Confident | 73 Ų | 73 | 104.2 Ų | 104.2 | 39% | 0.39 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | -179.5 | -73 | -15.3 | 0 | 0 | 0 | 112.6 | L1830 M1831 I1837 L1838 | L1830-N1834 WeakPolarHBondContact O-CB 3.46Å; L1830-N1834 PolarHBondContact O-N 3.38Å; L1830-N1834 PolarHBondContact O-ND2 2.98Å; M1831-N1834 PolarHBondContact O-N 3.41Å; N1834-I1837 PolarHBondContact O-N 3.2Å; N1834-L1838 WeakPolarHBondContact O-CB 3.42Å; N1834-L1838 VanDerWaalsContact O-CG 3.32Å; N1834-L1838 WeakPolarHBondContact O-CG 3.44Å; N1834-L1838 PolarHBondContact O-N 3.05Å |
| 1835 | T | 89.3 | Confident | 80.5 | Confident | 68 Ų | 68 | 100.5 Ų | 100.5 | 42% | 0.417 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.9 | -39 | 175.5 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | M1831 L1832 M1833 L1838 I1839 | M1831-T1835 WeakPolarHBondContact O-CB 3.47Å; M1831-T1835 WeakPolarHBondContact O-CG2 3.3Å; M1831-T1835 PolarHBondContact O-N 2.96Å; M1831-T1835 PolarHBondContact O-OG1 3.5Å; L1832-T1835 WeakPolarHBondContact CA-OG1 3.22Å; L1832-T1835 PolarHBondContact O-OG1 3.3Å; M1833-T1835 VanDerWaalsContact C-N 3.34Å; M1833-T1835 PolarHBondContact O-N 3.21Å; T1835-L1838 PolarHBondContact O-N 2.84Å; T1835-I1839 WeakPolarHBondContact O-CD1 3.43Å; T1835-I1839 VanDerWaalsContact O-CG1 3.29Å; T1835-I1839 WeakPolarHBondContact O-CG1 3.48Å; T1835-I1839 PolarHBondContact O-N 3.29Å |
| 1836 | V | 90.5 | Very high | 82.9 | Confident | 75 Ų | 75 | 100.8 Ų | 100.8 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 171.6 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | L1832 M1833 I1839 L1840 | L1832-V1836 WeakPolarHBondContact O-CG2 3.35Å; L1832-V1836 PolarHBondContact O-N 3.27Å; L1832-V1836 VanDerWaalsContact O-N 3.07Å; M1833-V1836 PolarHBondContact O-N 2.95Å; V1836-I1839 PolarHBondContact O-N 3.25Å; V1836-L1840 HydrophobicContact CG1-CD1 4.1Å; V1836-L1840 WeakPolarHBondContact O-CG 3.42Å; V1836-L1840 PolarHBondContact O-N 3.35Å |
| 1837 | I | 93.1 | Very high | 85.1 | Confident | 91 Ų | 91 | 101.1 Ų | 101.1 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 176 | -69.6 | 163.4 | 0 | 0 | 0 | 110.7 | M1833 N1834 I1839 L1840 V1841 | M1833-I1837 WeakPolarHBondContact O-CB 3.07Å; M1833-I1837 VanDerWaalsContact O-CG1 3.25Å; M1833-I1837 WeakPolarHBondContact O-CG1 3.28Å; M1833-I1837 PolarHBondContact O-N 3.5Å; N1834-I1837 PolarHBondContact O-N 3.2Å; I1837-I1839 PolarHBondContact O-N 2.95Å; I1837-L1840 PolarHBondContact O-N 2.87Å; I1837-V1841 HydrophobicContact CG2-CG2 4.44Å; I1837-V1841 WeakPolarHBondContact O-CG2 3.21Å; I1837-V1841 PolarHBondContact O-N 3.29Å |
| 1838 | L | 93.7 | Very high | 86.7 | Confident | 109 Ų | 109 | 98 Ų | 98 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.9 | -43.5 | 176.1 | -78.8 | 164.6 | 0 | 0 | 0 | 112.3 | N1834 T1835 L1840 V1841 L1842 | N1834-L1838 WeakPolarHBondContact O-CB 3.42Å; N1834-L1838 VanDerWaalsContact O-CG 3.32Å; N1834-L1838 WeakPolarHBondContact O-CG 3.44Å; N1834-L1838 PolarHBondContact O-N 3.05Å; T1835-L1838 PolarHBondContact O-N 2.84Å; L1838-L1840 VanDerWaalsContact C-N 3.35Å; L1838-L1840 PolarHBondContact O-N 3.28Å; L1838-V1841 PolarHBondContact O-N 3.19Å; L1838-L1842 WeakPolarHBondContact O-CG 3.44Å; L1838-L1842 PolarHBondContact O-N 3.21Å |
| 1839 | I | 94.4 | Very high | 88.7 | Confident | 98 Ų | 98 | 95.3 Ų | 95.3 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 176.1 | -69.7 | 163.9 | 0 | 0 | 0 | 110.9 | T1835 V1836 I1837 L1842 I1843 | T1835-I1839 WeakPolarHBondContact O-CD1 3.43Å; T1835-I1839 VanDerWaalsContact O-CG1 3.29Å; T1835-I1839 WeakPolarHBondContact O-CG1 3.48Å; T1835-I1839 PolarHBondContact O-N 3.29Å; V1836-I1839 PolarHBondContact O-N 3.25Å; I1837-I1839 PolarHBondContact O-N 2.95Å; I1839-L1842 PolarHBondContact O-N 3.3Å; I1839-I1843 HydrophobicContact CG2-CD1 3.84Å; I1839-I1843 VanDerWaalsContact O-CG1 3.29Å; I1839-I1843 WeakPolarHBondContact O-CG1 3.44Å; I1839-I1843 PolarHBondContact O-N 3Å |
| 1840 | L | 92.5 | Very high | 90.4 | Very high | 92 Ų | 92 | 95.9 Ų | 95.9 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 176.4 | -71.3 | 168.1 | 0 | 0 | 0 | 112.4 | V1836 I1837 L1838 L1842 I1843 I1844 | V1836-L1840 HydrophobicContact CG1-CD1 4.1Å; V1836-L1840 WeakPolarHBondContact O-CG 3.42Å; V1836-L1840 PolarHBondContact O-N 3.35Å; I1837-L1840 PolarHBondContact O-N 2.87Å; L1838-L1840 VanDerWaalsContact C-N 3.35Å; L1838-L1840 PolarHBondContact O-N 3.28Å; L1840-L1842 VanDerWaalsContact C-N 3.34Å; L1840-L1842 PolarHBondContact O-N 3.32Å; L1840-I1843 PolarHBondContact O-N 3.36Å; L1840-I1844 VanDerWaalsContact O-CG1 3.3Å; L1840-I1844 WeakPolarHBondContact O-CG1 3.42Å; L1840-I1844 PolarHBondContact O-N 3.32Å |
| 1841 | V | 96.4 | Very high | 91 | Very high | 79 Ų | 79 | 98.8 Ų | 98.8 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 175.7 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | I1837 L1838 I1844 S1845 | I1837-V1841 HydrophobicContact CG2-CG2 4.44Å; I1837-V1841 WeakPolarHBondContact O-CG2 3.21Å; I1837-V1841 PolarHBondContact O-N 3.29Å; L1838-V1841 PolarHBondContact O-N 3.19Å; V1841-I1844 PolarHBondContact O-N 2.66Å; V1841-S1845 VanDerWaalsContact O-CB 3.29Å; V1841-S1845 WeakPolarHBondContact O-CB 3.23Å; V1841-S1845 PolarHBondContact O-N 3.09Å; V1841-S1845 PolarHBondContact O-OG 3.17Å |
| 1842 | L | 95.4 | Very high | 91 | Very high | 120 Ų | 120 | 100.5 Ų | 100.5 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.8 | -42.2 | 175.2 | -72.1 | 169.6 | 0 | 0 | 0 | 112 | L1838 I1839 L1840 S1845 L1846 | L1838-L1842 WeakPolarHBondContact O-CG 3.44Å; L1838-L1842 PolarHBondContact O-N 3.21Å; I1839-L1842 PolarHBondContact O-N 3.3Å; L1840-L1842 VanDerWaalsContact C-N 3.34Å; L1840-L1842 PolarHBondContact O-N 3.32Å; L1842-S1845 PolarHBondContact O-N 3.45Å; L1842-L1846 WeakPolarHBondContact O-CB 3.19Å; L1842-L1846 PolarHBondContact O-N 3.05Å |
| 1843 | I | 95.8 | Very high | 91.1 | Very high | 84 Ų | 84 | 96.5 Ų | 96.5 | 43% | 0.431 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 176.1 | -70 | 165.1 | 0 | 0 | 0 | 111.1 | I1839 L1840 S1845 L1846 I1847 | I1839-I1843 HydrophobicContact CG2-CD1 3.84Å; I1839-I1843 VanDerWaalsContact O-CG1 3.29Å; I1839-I1843 WeakPolarHBondContact O-CG1 3.44Å; I1839-I1843 PolarHBondContact O-N 3Å; L1840-I1843 PolarHBondContact O-N 3.36Å; I1843-S1845 VanDerWaalsContact C-N 3.33Å; I1843-S1845 PolarHBondContact O-N 3.06Å; I1843-L1846 PolarHBondContact O-N 3.22Å; I1843-I1847 HydrophobicContact CG2-CD1 3.86Å; I1843-I1847 VanDerWaalsContact O-CG1 3.31Å; I1843-I1847 WeakPolarHBondContact O-CG1 3.42Å; I1843-I1847 PolarHBondContact O-N 2.64Å |
| 1844 | I | 94.6 | Very high | 90.8 | Very high | 97 Ų | 97 | 95.5 Ų | 95.5 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 177.3 | -68.7 | 164.9 | 0 | 0 | 0 | 110.7 | L1840 V1841 I1847 N1848 | L1840-I1844 VanDerWaalsContact O-CG1 3.3Å; L1840-I1844 WeakPolarHBondContact O-CG1 3.42Å; L1840-I1844 PolarHBondContact O-N 3.32Å; V1841-I1844 PolarHBondContact O-N 2.66Å; I1844-I1847 PolarHBondContact O-N 3.05Å; I1844-N1848 WeakPolarHBondContact O-CB 3.14Å; I1844-N1848 PolarHBondContact O-N 3.37Å; I1844-N1848 PolarHBondContact O-ND2 3.33Å |
| 1845 | S | 95.3 | Very high | 89.9 | Confident | 63 Ų | 63 | 97.3 Ų | 97.3 | 44% | 0.441 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 177 | -59.2 | 0 | 0 | 0 | 0 | 112 | V1841 L1842 I1843 N1848 W1849 | V1841-S1845 VanDerWaalsContact O-CB 3.29Å; V1841-S1845 WeakPolarHBondContact O-CB 3.23Å; V1841-S1845 PolarHBondContact O-N 3.09Å; V1841-S1845 PolarHBondContact O-OG 3.17Å; L1842-S1845 PolarHBondContact O-N 3.45Å; I1843-S1845 VanDerWaalsContact C-N 3.33Å; I1843-S1845 PolarHBondContact O-N 3.06Å; S1845-N1848 PolarHBondContact O-N 2.96Å; S1845-W1849 WeakPolarHBondContact O-CB 3.33Å; S1845-W1849 PolarHBondContact O-N 2.85Å |
| 1846 | L | 94.8 | Very high | 88.8 | Confident | 101 Ų | 101 | 100.8 Ų | 100.8 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 175.6 | -172.9 | 69.1 | 0 | 0 | 0 | 112 | L1842 I1843 W1849 L1850 | L1842-L1846 WeakPolarHBondContact O-CB 3.19Å; L1842-L1846 PolarHBondContact O-N 3.05Å; I1843-L1846 PolarHBondContact O-N 3.22Å; L1846-W1849 HydrophobicContact CD1-CE3 4.36Å; L1846-W1849 PolarHBondContact O-N 3.01Å; L1846-L1850 HydrophobicContact CG-CD1 4.27Å; L1846-L1850 WeakPolarHBondContact O-CB 3.46Å; L1846-L1850 VanDerWaalsContact O-CG 3.26Å; L1846-L1850 WeakPolarHBondContact O-CG 3.2Å; L1846-L1850 PolarHBondContact O-N 3.16Å |
| 1847 | I | 94.6 | Very high | 87.3 | Confident | 99 Ų | 99 | 106 Ų | 106 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 175.9 | -69.4 | 165.5 | 0 | 0 | 0 | 110.8 | I1843 I1844 W1849 L1850 W1851 | I1843-I1847 HydrophobicContact CG2-CD1 3.86Å; I1843-I1847 VanDerWaalsContact O-CG1 3.31Å; I1843-I1847 WeakPolarHBondContact O-CG1 3.42Å; I1843-I1847 PolarHBondContact O-N 2.64Å; I1844-I1847 PolarHBondContact O-N 3.05Å; I1847-W1849 PolarHBondContact O-N 3.2Å; I1847-L1850 PolarHBondContact O-N 3.22Å; I1847-W1851 WeakPolarHBondContact O-CB 3.43Å; I1847-W1851 PolarHBondContact O-N 3.1Å |
| 1848 | N | 91.7 | Very high | 85.7 | Confident | 97 Ų | 97 | 108 Ų | 108 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.6 | -76.1 | -24.3 | 0 | 0 | 0 | 112 | I1844 S1845 W1851 Y1852 | I1844-N1848 WeakPolarHBondContact O-CB 3.14Å; I1844-N1848 PolarHBondContact O-N 3.37Å; I1844-N1848 PolarHBondContact O-ND2 3.33Å; S1845-N1848 PolarHBondContact O-N 2.96Å; N1848-W1851 PolarHBondContact O-N 2.9Å; N1848-Y1852 WeakPolarHBondContact O-CB 3.42Å; N1848-Y1852 PolarHBondContact O-N 3.49Å |
| 1849 | W | 92.9 | Very high | 83.4 | Confident | 138 Ų | 138 | 105.2 Ų | 105.2 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 175.6 | -179.8 | 81.4 | 0 | 0 | 0 | 112.3 | S1845 L1846 I1847 W1851 Y1852 E1853 | S1845-W1849 WeakPolarHBondContact O-CB 3.33Å; S1845-W1849 PolarHBondContact O-N 2.85Å; L1846-W1849 HydrophobicContact CD1-CE3 4.36Å; L1846-W1849 PolarHBondContact O-N 3.01Å; I1847-W1849 PolarHBondContact O-N 3.2Å; W1849-W1851 VanDerWaalsContact C-N 3.32Å; W1849-W1851 PolarHBondContact O-N 2.83Å; W1849-Y1852 PolarHBondContact O-N 3.42Å; W1849-E1853 HydrophobicContact CZ2-CG 4.16Å; W1849-E1853 PolarHBondContact O-N 3.16Å |
| 1850 | L | 91.3 | Very high | 81 | Confident | 94 Ų | 94 | 108.4 Ų | 108.4 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 175.1 | -73.9 | 169.5 | 0 | 0 | 0 | 112.1 | L1846 I1847 E1854 | L1846-L1850 HydrophobicContact CG-CD1 4.27Å; L1846-L1850 WeakPolarHBondContact O-CB 3.46Å; L1846-L1850 VanDerWaalsContact O-CG 3.26Å; L1846-L1850 WeakPolarHBondContact O-CG 3.2Å; L1846-L1850 PolarHBondContact O-N 3.16Å; I1847-L1850 PolarHBondContact O-N 3.22Å; L1850-E1854 PolarHBondContact O-N 2.8Å |
| 1851 | W | 86.3 | Confident | 78.6 | Confident | 150 Ų | 150 | 110.4 Ų | 110.4 | 57% | 0.568 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.5 | -36.6 | 176.2 | -167 | 71.2 | 0 | 0 | 0 | 112.6 | I1847 N1848 W1849 E1854 K1855 | I1847-W1851 WeakPolarHBondContact O-CB 3.43Å; I1847-W1851 PolarHBondContact O-N 3.1Å; N1848-W1851 PolarHBondContact O-N 2.9Å; W1849-W1851 VanDerWaalsContact C-N 3.32Å; W1849-W1851 PolarHBondContact O-N 2.83Å; W1851-E1854 PolarHBondContact O-N 3.03Å; W1851-K1855 HydrophobicContact CE3-CD 4.33Å; W1851-K1855 HydrophobicContact CH2-CD 4.42Å; W1851-K1855 HydrophobicContact CZ3-CD 4.23Å; W1851-K1855 VanDerWaalsContact CZ3-NZ 3.31Å; W1851-K1855 PolarHBondContact O-N 3.43Å |
| 1852 | Y | 82.6 | Confident | 75.9 | Confident | 142 Ų | 142 | 112.1 Ų | 112.1 | 56% | 0.557 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 172.7 | -175.9 | -99.9 | 0 | 0 | 0 | 111.6 | N1848 W1849 E1854 K1855 R1856 | N1848-Y1852 WeakPolarHBondContact O-CB 3.42Å; N1848-Y1852 PolarHBondContact O-N 3.49Å; W1849-Y1852 PolarHBondContact O-N 3.42Å; Y1852-E1854 PolarHBondContact O-N 2.84Å; Y1852-K1855 WeakPolarHBondContact O-CB 3.24Å; Y1852-K1855 PolarHBondContact O-N 3.29Å; Y1852-R1856 WeakPolarHBondContact O-CB 3.47Å; Y1852-R1856 PolarHBondContact O-N 3.19Å |
| 1853 | E | 77.5 | Confident | 73 | Confident | 35 Ų | 35 | 115 Ų | 115 | 16% | 0.164 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -61.8 | -40 | 172.7 | -95.7 | -69.1 | 112.2 | 0 | 0 | 112.2 | W1849 K1855 R1856 R1857 | W1849-E1853 HydrophobicContact CZ2-CG 4.16Å; W1849-E1853 PolarHBondContact O-N 3.16Å; E1853-K1855 VanDerWaalsContact C-N 3.28Å; E1853-K1855 PolarHBondContact O-N 3.42Å; E1853-R1856 PolarHBondContact O-N 3Å; E1853-R1857 WeakPolarHBondContact O-CB 3.45Å; E1853-R1857 VanDerWaalsContact O-CG 3.23Å; E1853-R1857 WeakPolarHBondContact O-CG 3.47Å; E1853-R1857 PolarHBondContact O-N 3.49Å; E1853-R1857 IonicContact OE2-CZ 2.73Å; E1853-R1857 IonicContact OE2-NE 3.72Å; E1853-R1857 PolarHBondContact OE2-NE 3.42Å; E1853-R1857 IonicContact OE2-NH2 3.94Å; E1853-R1857 PolarHBondContact OE2-NH2 3.09Å |
| 1854 | E | 76.3 | Confident | 71.9 | Confident | 101 Ų | 101 | 116.6 Ų | 116.6 | 47% | 0.472 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.8 | -27.9 | 175.8 | -144.3 | -146.7 | 158.5 | 0 | 0 | 112.7 | L1850 W1851 Y1852 K1858 | L1850-E1854 PolarHBondContact O-N 2.8Å; W1851-E1854 PolarHBondContact O-N 3.03Å; Y1852-E1854 PolarHBondContact O-N 2.84Å; E1854-K1858 WeakPolarHBondContact O-CD 3.46Å; E1854-K1858 VanDerWaalsContact O-CE 3.29Å; E1854-K1858 WeakPolarHBondContact O-CE 3.42Å; E1854-K1858 WeakPolarHBondContact O-CG 3.33Å; E1854-K1858 WeakPolarHBondContact OE1-CE 3.23Å; E1854-K1858 IonicContact OE1-NZ 2.76Å; E1854-K1858 PolarHBondContact OE1-NZ 3.41Å; E1854-K1858 IonicContact OE2-NZ 3.14Å; E1854-K1858 PolarHBondContact OE2-NZ 3.31Å |
| 1855 | K | 68.3 | Low | 70.7 | Confident | 110 Ų | 110 | 117.6 Ų | 117.6 | 48% | 0.478 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.9 | -49.5 | 167.9 | -84.7 | -175.3 | 170.6 | -178.8 | 0 | 111.7 | W1851 Y1852 E1853 R1857 K1858 S1859 | W1851-K1855 HydrophobicContact CE3-CD 4.33Å; W1851-K1855 HydrophobicContact CH2-CD 4.42Å; W1851-K1855 HydrophobicContact CZ3-CD 4.23Å; W1851-K1855 VanDerWaalsContact CZ3-NZ 3.31Å; W1851-K1855 PolarHBondContact O-N 3.43Å; Y1852-K1855 WeakPolarHBondContact O-CB 3.24Å; Y1852-K1855 PolarHBondContact O-N 3.29Å; E1853-K1855 VanDerWaalsContact C-N 3.28Å; E1853-K1855 PolarHBondContact O-N 3.42Å; K1855-R1857 PolarHBondContact O-N 3.37Å; K1855-K1858 WeakPolarHBondContact O-CA 3.49Å; K1855-K1858 WeakPolarHBondContact O-CB 3.33Å; K1855-K1858 PolarHBondContact O-N 2.84Å; K1855-S1859 PolarHBondContact O-N 3.28Å; K1855-S1859 PolarHBondContact O-OG 3.43Å |
| 1856 | R | 67.9 | Low | 69.3 | Low | 142 Ų | 142 | 120.6 Ų | 120.6 | 54% | 0.536 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.1 | -36.5 | -178.3 | -163.9 | -179.1 | -172.6 | -167.9 | 3.7 | 111.9 | Y1852 E1853 K1858 S1859 | Y1852-R1856 WeakPolarHBondContact O-CB 3.47Å; Y1852-R1856 PolarHBondContact O-N 3.19Å; E1853-R1856 PolarHBondContact O-N 3Å; R1856-K1858 VanDerWaalsContact C-N 3.31Å; R1856-K1858 PolarHBondContact O-N 3.24Å; R1856-S1859 WeakPolarHBondContact CA-OG 3.26Å; R1856-S1859 PolarHBondContact O-OG 3.42Å |
| 1857 | R | 59 | Low | 67.8 | Low | 185 Ų | 185 | 121.8 Ų | 121.8 | 70% | 0.698 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -9.2 | 174.3 | -65.8 | 171.8 | -167.5 | -152.5 | 3.7 | 114.9 | E1853 K1855 | E1853-R1857 WeakPolarHBondContact O-CB 3.45Å; E1853-R1857 VanDerWaalsContact O-CG 3.23Å; E1853-R1857 WeakPolarHBondContact O-CG 3.47Å; E1853-R1857 PolarHBondContact O-N 3.49Å; E1853-R1857 IonicContact OE2-CZ 2.73Å; E1853-R1857 IonicContact OE2-NE 3.72Å; E1853-R1857 PolarHBondContact OE2-NE 3.42Å; E1853-R1857 IonicContact OE2-NH2 3.94Å; E1853-R1857 PolarHBondContact OE2-NH2 3.09Å; K1855-R1857 PolarHBondContact O-N 3.37Å |
| 1858 | K | 57.8 | Low | 66.2 | Low | 133 Ų | 133 | 123.2 Ų | 123.2 | 58% | 0.578 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -27.5 | 174.1 | -70.5 | 166.4 | -168.2 | 165.2 | 0 | 112 | E1854 K1855 R1856 | E1854-K1858 WeakPolarHBondContact O-CD 3.46Å; E1854-K1858 VanDerWaalsContact O-CE 3.29Å; E1854-K1858 WeakPolarHBondContact O-CE 3.42Å; E1854-K1858 WeakPolarHBondContact O-CG 3.33Å; E1854-K1858 WeakPolarHBondContact OE1-CE 3.23Å; E1854-K1858 IonicContact OE1-NZ 2.76Å; E1854-K1858 PolarHBondContact OE1-NZ 3.41Å; E1854-K1858 IonicContact OE2-NZ 3.14Å; E1854-K1858 PolarHBondContact OE2-NZ 3.31Å; K1855-K1858 WeakPolarHBondContact O-CA 3.49Å; K1855-K1858 WeakPolarHBondContact O-CB 3.33Å; K1855-K1858 PolarHBondContact O-N 2.84Å; R1856-K1858 VanDerWaalsContact C-N 3.31Å; R1856-K1858 PolarHBondContact O-N 3.24Å |
| 1859 | S | 45.1 | Very low | 64.4 | Low | 50 Ų | 50 | 124.9 Ų | 124.9 | 35% | 0.35 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -81.5 | 109.3 | 169.5 | 52.3 | 0 | 0 | 0 | 0 | 110.6 | K1855 R1856 I1861 | K1855-S1859 PolarHBondContact O-N 3.28Å; K1855-S1859 PolarHBondContact O-OG 3.43Å; R1856-S1859 WeakPolarHBondContact CA-OG 3.26Å; R1856-S1859 PolarHBondContact O-OG 3.42Å; S1859-I1861 PolarHBondContact O-N 3.42Å |
| 1860 | N | 44.2 | Very low | 62.4 | Low | 164 Ų | 164 | 124 Ų | 124 | 88% | 0.877 | 61% | 0.605 | S | S | * | * | trans | -73.1 | 52.4 | 172 | -77.8 | -9.6 | 0 | 0 | 0 | 111.9 | ||||
| 1861 | I | 42.1 | Very low | 60.2 | Low | 135 Ų | 135 | 126.3 Ų | 126.3 | 69% | 0.692 | 61% | 0.614 | S | S | * | * | trans | -89.1 | 123.2 | 173 | -60.8 | 170.5 | 0 | 0 | 0 | 106.6 | S1859 | S1859-I1861 PolarHBondContact O-N 3.42Š| ||
| 1862 | P | 40.5 | Very low | 58 | Low | 114 Ų | 114 | 124.3 Ų | 124.3 | 74% | 0.74 | 62% | 0.617 | S | S | * | * | trans | -57.3 | 152.5 | 171.8 | -23.2 | 34.6 | 0 | 0 | 0 | 111.6 | ||||
| 1863 | S | 34.8 | Very low | 55.8 | Low | 181 Ų | 181 | 122.7 Ų | 122.7 | 100% | 1.266 | 62% | 0.623 | S | S | * | * | trans | -63.8 | 0 | 179.9 | 56.4 | 0 | 0 | 0 | 0 | 113.2 |
Retrieved 1,863 of 1,863 residues in 1839.6 ms
(Link to these results)