| 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 | 54.7 | Low | 87.3 | Confident | 232 Ų | 232 | 99.6 Ų | 99.6 | 100% | 1.143 | 54% | 0.542 | S | S | * | . | 0 | 107.9 | 0 | -74.9 | -178.6 | 143.7 | 0 | 0 | 109.2 | |||||
| 2 | T | 77.7 | Confident | 88 | Confident | 110 Ų | 110 | 97.3 Ų | 97.3 | 68% | 0.675 | 53% | 0.533 | S | S | * | . | trans | -83.8 | 120.4 | -179.6 | 48.7 | 0 | 0 | 0 | 0 | 110.1 | R4 G5 | T2-R4 PolarHBondContact O-N 3.41Å; T2-G5 PolarHBondContact O-N 2.92Å | ||
| 3 | G | 77.7 | Confident | 88.6 | Confident | 32 Ų | 32 | 93.7 Ų | 93.7 | 33% | 0.33 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -7.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | R114 | G3-R114 PolarHBondContact O-NE 3.35Å; G3-R114 PolarHBondContact O-NH2 2.7Å |
| 4 | R | 85.5 | Confident | 89.1 | Confident | 255 Ų | 255 | 88.6 Ų | 88.6 | 96% | 0.962 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -24 | 174.1 | -69 | -172.5 | 177.7 | -159.6 | -0.3 | 114 | T2 | T2-R4 PolarHBondContact O-N 3.41Š|
| 5 | G | 91.9 | Very high | 89.5 | Confident | 67 Ų | 67 | 93.5 Ų | 93.5 | 69% | 0.691 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -10 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T2 | T2-G5 PolarHBondContact O-N 2.92Š|
| 6 | T | 93.2 | Very high | 89.9 | Confident | 68 Ų | 68 | 94.4 Ų | 94.4 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -116.5 | 150.7 | -179.9 | 61.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 7 | S | 94.8 | Very high | 90.2 | Very high | 79 Ų | 79 | 91.6 Ų | 91.6 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | trans | -57.7 | 161.1 | 169.7 | 60 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 8 | S | 95.5 | Very high | 90.4 | Very high | 26 Ų | 26 | 89.6 Ų | 89.6 | 18% | 0.182 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 153.3 | 178.6 | 51.2 | 0 | 0 | 0 | 0 | 109.9 | R114 R116 | S8-R114 VanDerWaalsContact CA-O 3.3Å; S8-R114 WeakPolarHBondContact CA-O 3.37Å; S8-R114 VanDerWaalsContact CB-O 3.27Å; S8-R114 WeakPolarHBondContact CB-O 3.32Å; S8-R114 PolarHBondContact OG-NH2 3.43Å; S8-R116 PolarHBondContact OG-NE 3.08Å; S8-R116 PolarHBondContact OG-NH2 3.46Å |
| 9 | R | 96.2 | Very high | 90.6 | Very high | 57 Ų | 57 | 92.6 Ų | 92.6 | 22% | 0.215 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 164.2 | 176.5 | 64.8 | -178.6 | -179.5 | 77.9 | -3.4 | 111.5 | D111 I113 R114 I115 R116 | R9-D111 PolarHBondContact NE-O 3.37Å; R9-D111 PolarHBondContact NH2-O 3.43Å; R9-I113 HydrophobicContact CB-CD1 4.04Å; R9-I113 HydrophobicContact CB-CG1 4.45Å; R9-I113 HydrophobicContact CG-CD1 3.96Å; R9-I113 HydrophobicContact CG-CG1 3.84Å; R9-R114 PolarHBondContact N-O 3.42Å; R9-R114 VanDerWaalsContact N-O 3.12Å; R9-I115 WeakPolarHBondContact O-CA 3.34Å; R9-R116 PolarHBondContact O-N 3.05Å |
| 10 | F | 96.9 | Very high | 90.9 | Very high | 107 Ų | 107 | 91.9 Ų | 91.9 | 47% | 0.469 | 53% | 0.532 | S | S | . | . | trans | -81.6 | 158.8 | 164.8 | -68.2 | -79.3 | 0 | 0 | 0 | 110.1 | T12 R116 K117 | F10-T12 PolarHBondContact O-N 3.14Å; F10-R116 HydrophobicContact CD1-CB 3.96Å; F10-R116 HydrophobicContact CE1-CB 3.86Å; F10-K117 HydrophobicContact CD1-CB 4.49Å; F10-K117 HydrophobicContact CD1-CD 4.36Å; F10-K117 HydrophobicContact CD1-CG 4.3Å; F10-K117 HydrophobicContact CE1-CD 4.14Å; F10-K117 HydrophobicContact CE1-CG 4.2Å | ||
| 11 | L | 96.8 | Very high | 91.2 | Very high | 63 Ų | 63 | 97.1 Ų | 97.1 | 33% | 0.33 | 54% | 0.543 | S | S | . | . | trans | -68.2 | 131.3 | 172.3 | -170 | 154.7 | 0 | 0 | 0 | 108.2 | I115 H120 | L11-I115 HydrophobicContact CB-CG2 3.99Å; L11-H120 HydrophobicContact CB-CB 4.39Å; L11-H120 HydrophobicContact CD2-CB 4.13Å; L11-H120 VanDerWaalsContact O-CB 3.26Å; L11-H120 WeakPolarHBondContact O-CB 3.02Å | ||
| 12 | T | 95.7 | Very high | 93.2 | Very high | 71 Ų | 71 | 93.3 Ų | 93.3 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | trans | -154.8 | 163.6 | 176.5 | -172.8 | 0 | 0 | 0 | 0 | 108.7 | F10 L110 | F10-T12 PolarHBondContact O-N 3.14Å; T12-L110 HydrophobicContact CG2-CD1 4.16Å; T12-L110 VanDerWaalsContact O-CD1 3.28Å; T12-L110 WeakPolarHBondContact O-CD1 3.24Å | ||
| 13 | S | 95.5 | Very high | 94.1 | Very high | 51 Ų | 51 | 91.2 Ų | 91.2 | 36% | 0.357 | 50% | 0.504 | S | S | . | . | trans | -110.8 | 149 | 174.8 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | L15 H16 | S13-L15 PolarHBondContact O-N 3.42Å; S13-H16 VanDerWaalsContact OG-CA 3.32Å; S13-H16 WeakPolarHBondContact OG-CA 3.42Å | ||
| 14 | V | 95.2 | Very high | 95 | Very high | 22 Ų | 22 | 91.6 Ų | 91.6 | 13% | 0.133 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -73.1 | 123.5 | 170.2 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | H16 N17 N81 L110 | V14-H16 PolarHBondContact O-N 3.45Å; V14-H16 VanDerWaalsContact O-N 3.08Å; V14-N17 WeakPolarHBondContact O-CB 3.3Å; V14-N17 PolarHBondContact O-N 3.03Å; V14-N81 HydrophobicContact CG1-CB 4.42Å; V14-L110 HydrophobicContact CG2-CD2 4.12Å; V14-L110 HydrophobicContact CG2-CG 4.21Å |
| 15 | L | 95.4 | Very high | 95.6 | Very high | 162 Ų | 162 | 80 Ų | 80 | 85% | 0.848 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | 50.1 | 34.4 | 176.9 | -62.4 | 175.3 | 0 | 0 | 0 | 115 | S13 N17 | S13-L15 PolarHBondContact O-N 3.42Å; L15-N17 PolarHBondContact O-N 2.79Å |
| 16 | H | 95.1 | Very high | 95.9 | Very high | 108 Ų | 108 | 76.9 Ų | 76.9 | 50% | 0.5 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | 54.1 | 37 | -177.4 | -53.3 | 92.9 | 0 | 0 | 0 | 113.9 | S13 V14 G18 L19 | S13-H16 VanDerWaalsContact OG-CA 3.32Å; S13-H16 WeakPolarHBondContact OG-CA 3.42Å; V14-H16 PolarHBondContact O-N 3.45Å; V14-H16 VanDerWaalsContact O-N 3.08Å; H16-G18 PolarHBondContact O-N 3.06Å; H16-L19 HydrophobicContact CB-CB 4.5Å; H16-L19 HydrophobicContact CB-CD1 3.62Å; H16-L19 HydrophobicContact CB-CG 4.03Å; H16-L19 PolarHBondContact O-N 3.2Å; H16-L19 VanDerWaalsContact O-N 3.07Å |
| 17 | N | 95.2 | Very high | 96.1 | Very high | 47 Ų | 47 | 77 Ų | 77 | 25% | 0.251 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 126.5 | 178.6 | -167.6 | 20.6 | 0 | 0 | 0 | 111 | V14 L15 R21 Y22 V23 Q25 | V14-N17 WeakPolarHBondContact O-CB 3.3Å; V14-N17 PolarHBondContact O-N 3.03Å; L15-N17 PolarHBondContact O-N 2.79Å; N17-R21 PolarHBondContact OD1-O 3.28Å; N17-Y22 WeakPolarHBondContact OD1-CA 3.5Å; N17-V23 PolarHBondContact ND2-O 3.1Å; N17-V23 PolarHBondContact OD1-N 3.32Å; N17-Q25 PolarHBondContact ND2-NE2 3Å |
| 18 | G | 94.3 | Very high | 96.2 | Very high | 56 Ų | 56 | 76.8 Ų | 76.8 | 58% | 0.577 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.3 | -13 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | H16 R21 | H16-G18 PolarHBondContact O-N 3.06Å; G18-R21 PolarHBondContact N-O 3.14Å |
| 19 | L | 94.3 | Very high | 96.3 | Very high | 146 Ų | 146 | 75.7 Ų | 75.7 | 76% | 0.764 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -72.3 | -48.5 | 173.1 | -71.8 | -172.4 | 0 | 0 | 0 | 112.5 | H16 | H16-L19 HydrophobicContact CB-CB 4.5Å; H16-L19 HydrophobicContact CB-CD1 3.62Å; H16-L19 HydrophobicContact CB-CG 4.03Å; H16-L19 PolarHBondContact O-N 3.2Å; H16-L19 VanDerWaalsContact O-N 3.07Å |
| 20 | G | 95.9 | Very high | 96.4 | Very high | 79 Ų | 79 | 74 Ų | 74 | 81% | 0.814 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -102.8 | -52.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 21 | R | 96.8 | Very high | 96.4 | Very high | 202 Ų | 202 | 69.3 Ų | 69.3 | 76% | 0.762 | 37% | 0.373 | S | S | * | . | trans | -147 | 158.8 | 173.7 | 70.1 | -177.4 | 75.2 | -170.6 | 3.7 | 109.7 | N17 G18 V23 | N17-R21 PolarHBondContact OD1-O 3.28Å; G18-R21 PolarHBondContact N-O 3.14Å; R21-V23 HydrophobicContact CG-CG2 4.09Å | ||
| 22 | Y | 96.8 | Very high | 96.4 | Very high | 151 Ų | 151 | 67.1 Ų | 67.1 | 59% | 0.592 | 36% | 0.363 | S | S | * | . | trans | -82.5 | 132.5 | 168.2 | 174.2 | -104.7 | 0 | 0 | 0 | 110.3 | N17 Q24 | N17-Y22 WeakPolarHBondContact OD1-CA 3.5Å; Y22-Q24 HydrophobicContact CE1-CB 4.35Å | ||
| 23 | V | 96.5 | Very high | 96.4 | Very high | 67 Ų | 67 | 64.4 Ų | 64.4 | 41% | 0.406 | 35% | 0.346 | S | S | . | . | trans | -122.7 | 127.8 | 170.3 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | N17 R21 Q25 L80 | N17-V23 PolarHBondContact ND2-O 3.1Å; N17-V23 PolarHBondContact OD1-N 3.32Å; R21-V23 HydrophobicContact CG-CG2 4.09Å; V23-Q25 PolarHBondContact O-N 2.94Å; V23-Q25 PolarHBondContact O-NE2 3.46Å; V23-L80 HydrophobicContact CG1-CD1 4.05Å | ||
| 24 | Q | 96.8 | Very high | 96.4 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | trans | -65.5 | 128.3 | 174.2 | -174.3 | 166.7 | 27.5 | 0 | 0 | 109.8 | Y22 L26 N58 V61 | Y22-Q24 HydrophobicContact CE1-CB 4.35Å; Q24-L26 HydrophobicContact CG-CB 4.49Å; Q24-N58 PolarHBondContact NE2-OD1 3.49Å; Q24-V61 HydrophobicContact CG-CG2 4.35Å | ||
| 25 | Q | 97.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 70.9 Ų | 70.9 | 5% | 0.051 | 36% | 0.362 | C | S | . | . | trans | -86.9 | -22.4 | -172.5 | -60.7 | -59.1 | -58.4 | 0 | 0 | 113.3 | N17 V23 Q27 Y79 L80 | N17-Q25 PolarHBondContact ND2-NE2 3Å; V23-Q25 PolarHBondContact O-N 2.94Å; V23-Q25 PolarHBondContact O-NE2 3.46Å; Q25-Q27 PolarHBondContact O-N 3.29Å; Q25-Y79 HydrophobicContact CB-CD1 4.25Å; Q25-Y79 CarbonylContact O-C 3.59Å; Q25-Y79 VanDerWaalsContact O-CA 3.24Å; Q25-Y79 WeakPolarHBondContact O-CA 3.43Å; Q25-L80 PolarHBondContact O-N 3.25Å | ||
| 26 | L | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 123.2 | 173.3 | -177.6 | 67 | 0 | 0 | 0 | 109.1 | Q24 L29 V61 A77 Y79 A105 | Q24-L26 HydrophobicContact CG-CB 4.49Å; L26-L29 HydrophobicContact CD2-CD1 4.37Å; L26-V61 HydrophobicContact CB-CG2 4.28Å; L26-V61 HydrophobicContact CD2-CG1 3.84Å; L26-V61 HydrophobicContact CD2-CG2 4.15Å; L26-V61 HydrophobicContact CG-CG1 4.03Å; L26-V61 HydrophobicContact CG-CG2 4.23Å; L26-A77 HydrophobicContact CD1-CB 3.66Å; L26-Y79 HydrophobicContact CB-CD1 4.44Å; L26-Y79 HydrophobicContact CB-CE1 4.28Å; L26-Y79 HydrophobicContact CD1-CD1 4.46Å; L26-Y79 HydrophobicContact CD1-CE1 4.13Å; L26-A105 HydrophobicContact CD2-CB 3.92Å |
| 27 | Q | 97.4 | Very high | 96.4 | Very high | 71 Ų | 71 | 65 Ų | 65 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -50 | -178.6 | -170.5 | -174.4 | 17 | 0 | 0 | 111.8 | Q25 V62 E78 L80 | Q25-Q27 PolarHBondContact O-N 3.29Å; Q27-V62 PolarHBondContact O-N 3.14Å; Q27-E78 PolarHBondContact N-O 3.04Å; Q27-L80 HydrophobicContact CB-CD2 4.12Å; Q27-L80 HydrophobicContact CG-CD2 4.17Å |
| 28 | R | 98.1 | Very high | 96.3 | Very high | 75 Ų | 75 | 68.1 Ų | 68.1 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.6 | -177.3 | -67.9 | -177.3 | -73.5 | -77.5 | -5.8 | 110.9 | V62 Y64 E78 | R28-V62 CarbonylContact C-O 3.56Å; R28-V62 WeakPolarHBondContact CA-O 3.31Å; R28-V62 HydrophobicContact CG-CB 4.33Å; R28-Y64 HydrophobicContact CG-CE2 4.19Å; R28-E78 HydrophobicContact CB-CB 4.24Å; R28-E78 IonicContact CZ-OE2 2.83Å; R28-E78 PolarHBondContact N-O 2.88Å; R28-E78 IonicContact NE-OE2 3.46Å; R28-E78 PolarHBondContact NE-OE2 3Å; R28-E78 IonicContact NH2-OE2 3.63Å; R28-E78 PolarHBondContact NH2-OE2 3.29Å; R28-E78 PolarHBondContact O-N 3.03Å |
| 29 | L | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 112.3 | 173.3 | -161.4 | 169.6 | 0 | 0 | 0 | 108.6 | L26 L31 F54 V61 V62 V63 Y64 I75 V76 V101 | L26-L29 HydrophobicContact CD2-CD1 4.37Å; L29-L31 HydrophobicContact CD2-CD1 4.46Å; L29-L31 HydrophobicContact CD2-CD2 3.4Å; L29-L31 HydrophobicContact CD2-CG 3.61Å; L29-F54 HydrophobicContact CD1-CE1 4.09Å; L29-F54 HydrophobicContact CD1-CZ 4.27Å; L29-V61 HydrophobicContact CB-CG1 4.29Å; L29-V62 PolarHBondContact N-O 3.04Å; L29-V63 HydrophobicContact CB-CG2 4.49Å; L29-V63 CarbonylContact O-C 3.6Å; L29-V63 WeakPolarHBondContact O-CA 3.29Å; L29-Y64 PolarHBondContact O-N 3.24Å; L29-I75 HydrophobicContact CD2-CG2 3.54Å; L29-I75 HydrophobicContact CG-CG2 4Å; L29-V76 CarbonylContact C-O 3.56Å; L29-V76 WeakPolarHBondContact CA-O 3.27Å; L29-V101 HydrophobicContact CD1-CG1 3.7Å; L29-V101 HydrophobicContact CD1-CG2 4.36Å |
| 30 | S | 97.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 112.4 | 179.5 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | I75 V76 | S30-I75 WeakPolarHBondContact O-CA 3.31Å; S30-V76 PolarHBondContact N-O 3.34Å; S30-V76 PolarHBondContact O-N 3.35Å |
| 31 | L | 97.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 64.1 Ų | 64.1 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129 | 176.1 | -62.2 | 177.1 | 0 | 0 | 0 | 109.4 | L29 F46 V47 V51 V63 Y64 V65 N66 I75 | L29-L31 HydrophobicContact CD2-CD1 4.46Å; L29-L31 HydrophobicContact CD2-CD2 3.4Å; L29-L31 HydrophobicContact CD2-CG 3.61Å; L31-F46 HydrophobicContact CD1-CD1 4.36Å; L31-F46 HydrophobicContact CD1-CE1 4.17Å; L31-V47 HydrophobicContact CD1-CG2 3.76Å; L31-V51 HydrophobicContact CD1-CG2 4.19Å; L31-V63 HydrophobicContact CD1-CG1 4.35Å; L31-Y64 PolarHBondContact N-O 3.35Å; L31-V65 HydrophobicContact CD1-CG2 4.37Å; L31-N66 PolarHBondContact O-N 3.12Å; L31-I75 HydrophobicContact CD2-CB 4.2Å; L31-I75 HydrophobicContact CD2-CD1 3.51Å; L31-I75 HydrophobicContact CD2-CG1 3.47Å; L31-I75 VanDerWaalsContact CD2-CG1 3.47Å; L31-I75 HydrophobicContact CD2-CG2 4.04Å |
| 32 | S | 96.6 | Very high | 96.4 | Very high | 18 Ų | 18 | 54.8 Ų | 54.8 | 13% | 0.126 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 115.2 | 177.9 | 82.9 | 0 | 0 | 0 | 0 | 109.6 | R68 P73 R74 | S32-R68 PolarHBondContact OG-NH1 2.75Å; S32-P73 CarbonylContact O-C 3.28Å; S32-P73 WeakPolarHBondContact O-CA 3.45Å; S32-P73 WeakPolarHBondContact O-CB 3.48Å; S32-R74 PolarHBondContact N-O 3.49Å; S32-R74 PolarHBondContact O-N 3.43Å; S32-R74 PolarHBondContact OG-N 3.22Å; S32-R74 PolarHBondContact OG-O 3.18Å |
| 33 | L | 95.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 152.1 | -168.6 | 65.2 | 92.8 | 0 | 0 | 0 | 111.4 | A43 R44 V47 V65 N66 P67 R68 | L33-A43 HydrophobicContact CB-CB 4.33Å; L33-R44 HydrophobicContact CD1-CG 3.93Å; L33-V47 HydrophobicContact CD2-CB 4.39Å; L33-V47 HydrophobicContact CD2-CG2 3.63Å; L33-V65 HydrophobicContact CD2-CG1 3.94Å; L33-N66 PolarHBondContact N-O 2.88Å; L33-P67 HydrophobicContact CD1-CB 4.49Å; L33-P67 CarbonylContact O-C 3.49Å; L33-P67 WeakPolarHBondContact O-CA 3.43Å; L33-R68 CarbonylContact C-O 3.6Å; L33-R68 PolarHBondContact O-N 3.49Å |
| 34 | S | 96.1 | Very high | 96.4 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 8% | 0.077 | 23% | 0.232 | C | C | . | . | trans | -97.7 | 144.9 | 176.3 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | A37 S40 R44 R68 C70 | S34-A37 PolarHBondContact OG-N 3.32Å; S34-S40 PolarHBondContact N-OG 3.05Å; S34-S40 WeakPolarHBondContact O-CB 3.46Å; S34-R44 WeakPolarHBondContact O-CD 3.37Å; S34-R68 WeakPolarHBondContact CA-O 3.42Å; S34-C70 VanDerWaalsContact CB-O 3.3Å; S34-C70 WeakPolarHBondContact CB-O 3.5Å; S34-C70 PolarHBondContact N-SG 2.97Å | ||
| 35 | R | 95.4 | Very high | 96.4 | Very high | 199 Ų | 199 | 49.4 Ų | 49.4 | 75% | 0.751 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -65 | -44.4 | 175.9 | -172.5 | -175.1 | -173.2 | -179.6 | 0.7 | 111.6 | R44 | R35-R44 WeakPolarHBondContact O-CD 3.46Å; R35-R44 PolarHBondContact O-NE 3.1Å; R35-R44 PolarHBondContact O-NH1 2.93Å; R35-R44 VanDerWaalsContact O-NH1 3.12Å |
| 36 | D | 94.7 | Very high | 96.4 | Very high | 128 Ų | 128 | 49.1 Ų | 49.1 | 68% | 0.684 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -108.4 | -23 | -165.3 | -51.5 | -51.1 | 0 | 0 | 0 | 113.1 | ||
| 37 | A | 94 | Very high | 96.3 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | trans | -66 | 134 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S34 S39 S40 R44 | S34-A37 PolarHBondContact OG-N 3.32Å; A37-S39 WeakPolarHBondContact CB-OG 3.37Å; A37-S39 PolarHBondContact O-N 2.87Å; A37-S40 PolarHBondContact O-N 2.83Å; A37-S40 VanDerWaalsContact O-N 3.14Å; A37-R44 PolarHBondContact O-NH2 3.28Å | ||
| 38 | P | 94.8 | Very high | 96.3 | Very high | 111 Ų | 111 | 54 Ų | 54 | 72% | 0.721 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -65.4 | -30.5 | 177.9 | 25.5 | -33.5 | 0 | 0 | 0 | 112 | S40 R41 | P38-S40 PolarHBondContact O-N 2.81Å; P38-R41 VanDerWaalsContact O-CB 3.29Å; P38-R41 WeakPolarHBondContact O-CB 3.49Å; P38-R41 PolarHBondContact O-N 3.18Å; P38-R41 VanDerWaalsContact O-N 3.1Å |
| 39 | S | 94.6 | Very high | 96.2 | Very high | 16 Ų | 16 | 58 Ų | 58 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -58 | -27.9 | 174.2 | 50.4 | 0 | 0 | 0 | 0 | 113.9 | A37 A71 N90 S91 | A37-S39 WeakPolarHBondContact CB-OG 3.37Å; A37-S39 PolarHBondContact O-N 2.87Å; S39-A71 WeakPolarHBondContact CB-O 3.44Å; S39-A71 PolarHBondContact OG-O 2.82Å; S39-N90 WeakPolarHBondContact CB-OD1 3.35Å; S39-S91 PolarHBondContact O-N 3.34Å |
| 40 | S | 95.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -94 | 7.1 | -179.4 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | S34 A37 P38 G42 A43 R44 | S34-S40 PolarHBondContact N-OG 3.05Å; S34-S40 WeakPolarHBondContact O-CB 3.46Å; A37-S40 PolarHBondContact O-N 2.83Å; A37-S40 VanDerWaalsContact O-N 3.14Å; P38-S40 PolarHBondContact O-N 2.81Å; S40-G42 PolarHBondContact O-N 3.35Å; S40-A43 PolarHBondContact O-N 3.44Å; S40-R44 WeakPolarHBondContact O-CG 3.49Å; S40-R44 PolarHBondContact O-N 3.41Å |
| 41 | R | 96.1 | Very high | 96.1 | Very high | 181 Ų | 181 | 59.7 Ų | 59.7 | 68% | 0.683 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -56.5 | -52.9 | -177.7 | -175.4 | -179.2 | 69.2 | -166.8 | 0 | 112.4 | P38 A43 R44 E45 | P38-R41 VanDerWaalsContact O-CB 3.29Å; P38-R41 WeakPolarHBondContact O-CB 3.49Å; P38-R41 PolarHBondContact O-N 3.18Å; P38-R41 VanDerWaalsContact O-N 3.1Å; R41-A43 VanDerWaalsContact C-N 3.32Å; R41-A43 PolarHBondContact O-N 2.93Å; R41-R44 PolarHBondContact O-N 2.67Å; R41-E45 PolarHBondContact O-N 2.78Å; R41-E45 VanDerWaalsContact O-N 3.1Å |
| 42 | G | 96.3 | Very high | 96 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.1 | -33.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S40 F46 K92 I97 | S40-G42 PolarHBondContact O-N 3.35Å; G42-F46 VanDerWaalsContact O-CB 3.31Å; G42-F46 WeakPolarHBondContact O-CB 3.4Å; G42-F46 PolarHBondContact O-N 2.88Å; G42-K92 WeakPolarHBondContact CA-O 3.2Å; G42-I97 VanDerWaalsContact C-CD1 3.48Å |
| 43 | A | 96.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L33 S40 R41 V47 P73 V89 I97 | L33-A43 HydrophobicContact CB-CB 4.33Å; S40-A43 PolarHBondContact O-N 3.44Å; R41-A43 VanDerWaalsContact C-N 3.32Å; R41-A43 PolarHBondContact O-N 2.93Å; A43-V47 WeakPolarHBondContact O-CG2 3.18Å; A43-V47 PolarHBondContact O-N 3.29Å; A43-P73 HydrophobicContact CB-CB 4.29Å; A43-V89 HydrophobicContact CB-CG2 4.45Å; A43-I97 HydrophobicContact CB-CD1 4.21Å |
| 44 | R | 96.7 | Very high | 96.2 | Very high | 77 Ų | 77 | 65.1 Ų | 65.1 | 29% | 0.291 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.6 | -50.5 | 173.7 | -76.9 | -176.3 | -75 | 153.9 | -12.9 | 111.4 | L33 S34 R35 A37 S40 R41 F46 V47 E48 | L33-R44 HydrophobicContact CD1-CG 3.93Å; S34-R44 WeakPolarHBondContact O-CD 3.37Å; R35-R44 WeakPolarHBondContact O-CD 3.46Å; R35-R44 PolarHBondContact O-NE 3.1Å; R35-R44 PolarHBondContact O-NH1 2.93Å; R35-R44 VanDerWaalsContact O-NH1 3.12Å; A37-R44 PolarHBondContact O-NH2 3.28Å; S40-R44 WeakPolarHBondContact O-CG 3.49Å; S40-R44 PolarHBondContact O-N 3.41Å; R41-R44 PolarHBondContact O-N 2.67Å; R44-F46 VanDerWaalsContact C-N 3.29Å; R44-F46 PolarHBondContact O-N 3.07Å; R44-V47 PolarHBondContact O-N 3.41Å; R44-V47 VanDerWaalsContact O-N 3.07Å; R44-E48 WeakPolarHBondContact O-CG 3.47Å; R44-E48 PolarHBondContact O-N 3.42Å |
| 45 | E | 96.8 | Very high | 96.2 | Very high | 58 Ų | 58 | 66.5 Ų | 66.5 | 27% | 0.271 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 179.6 | -170.2 | 177.2 | -174.3 | 0 | 0 | 112.1 | R41 E48 R49 V94 | R41-E45 PolarHBondContact O-N 2.78Å; R41-E45 VanDerWaalsContact O-N 3.1Å; E45-E48 PolarHBondContact O-N 2.88Å; E45-R49 PolarHBondContact O-N 2.85Å; E45-R49 IonicContact OE1-CZ 2.78Å; E45-R49 IonicContact OE1-NE 2.63Å; E45-R49 IonicContact OE1-NH1 3.09Å; E45-R49 PolarHBondContact OE1-NH1 2.92Å; E45-R49 IonicContact OE1-NH2 2.71Å; E45-R49 PolarHBondContact OE1-NH2 3.07Å; E45-V94 HydrophobicContact CB-CG2 3.59Å; E45-V94 HydrophobicContact CG-CG2 3.58Å; E45-V94 WeakPolarHBondContact OE2-CG2 2.83Å |
| 46 | F | 97.3 | Very high | 96.3 | Very high | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 170.9 | 176.9 | -96.2 | 0 | 0 | 0 | 112.5 | L31 G42 R44 E48 E50 V51 V94 I97 K98 V101 | L31-F46 HydrophobicContact CD1-CD1 4.36Å; L31-F46 HydrophobicContact CD1-CE1 4.17Å; G42-F46 VanDerWaalsContact O-CB 3.31Å; G42-F46 WeakPolarHBondContact O-CB 3.4Å; G42-F46 PolarHBondContact O-N 2.88Å; R44-F46 VanDerWaalsContact C-N 3.29Å; R44-F46 PolarHBondContact O-N 3.07Å; F46-E48 VanDerWaalsContact C-N 3.31Å; F46-E50 HydrophobicContact CD2-CB 3.59Å; F46-E50 HydrophobicContact CD2-CG 4.26Å; F46-E50 HydrophobicContact CE2-CB 3.63Å; F46-E50 HydrophobicContact CG-CB 4.34Å; F46-E50 HydrophobicContact CZ-CB 4.43Å; F46-E50 WeakPolarHBondContact O-CA 3.36Å; F46-E50 PolarHBondContact O-N 2.91Å; F46-V51 HydrophobicContact CE1-CB 4.24Å; F46-V51 HydrophobicContact CE1-CG2 4.38Å; F46-V51 PolarHBondContact O-N 2.84Å; F46-V94 HydrophobicContact CB-CG1 4.21Å; F46-V94 HydrophobicContact CD2-CG1 4.33Å; F46-I97 HydrophobicContact CB-CG2 4.13Å; F46-I97 HydrophobicContact CD1-CG2 3.91Å; F46-I97 HydrophobicContact CD2-CB 4.35Å; F46-I97 HydrophobicContact CD2-CG2 3.8Å; F46-I97 HydrophobicContact CE1-CG2 4.3Å; F46-I97 HydrophobicContact CE2-CG2 4.21Å; F46-I97 HydrophobicContact CG-CB 4.44Å; F46-I97 HydrophobicContact CG-CG2 3.65Å; F46-I97 HydrophobicContact CZ-CG2 4.44Å; F46-K98 HydrophobicContact CD2-CB 4.43Å; F46-K98 HydrophobicContact CE2-CB 4.13Å; F46-V101 HydrophobicContact CE1-CG2 4.24Å; F46-V101 HydrophobicContact CZ-CB 4.22Å; F46-V101 HydrophobicContact CZ-CG1 4.23Å; F46-V101 HydrophobicContact CZ-CG2 3.92Å |
| 47 | V | 97.1 | Very high | 96.5 | Very high | 34 Ų | 34 | 66 Ų | 66 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67 | -33.1 | 176.3 | 168.6 | 0 | 0 | 0 | 0 | 111.9 | L31 L33 A43 R44 V51 V65 | L31-V47 HydrophobicContact CD1-CG2 3.76Å; L33-V47 HydrophobicContact CD2-CB 4.39Å; L33-V47 HydrophobicContact CD2-CG2 3.63Å; A43-V47 WeakPolarHBondContact O-CG2 3.18Å; A43-V47 PolarHBondContact O-N 3.29Å; R44-V47 PolarHBondContact O-N 3.41Å; R44-V47 VanDerWaalsContact O-N 3.07Å; V47-V51 HydrophobicContact CB-CG1 4.49Å; V47-V51 HydrophobicContact CG1-CG1 4.31Å; V47-V51 WeakPolarHBondContact O-CG1 3.34Å; V47-V65 HydrophobicContact CG1-CG1 4.03Å; V47-V65 HydrophobicContact CG1-CG2 4.35Å; V47-V65 HydrophobicContact CG2-CG1 4.27Å; V47-V65 HydrophobicContact CG2-CG2 4.44Å |
| 48 | E | 96.4 | Very high | 96.6 | Very high | 142 Ų | 142 | 65.9 Ų | 65.9 | 66% | 0.664 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -73 | -39.5 | 178.4 | -72.6 | 170.5 | -171.1 | 0 | 0 | 112.7 | R44 E45 F46 | R44-E48 WeakPolarHBondContact O-CG 3.47Å; R44-E48 PolarHBondContact O-N 3.42Å; E45-E48 PolarHBondContact O-N 2.88Å; F46-E48 VanDerWaalsContact C-N 3.31Å |
| 49 | R | 96.4 | Very high | 96.7 | Very high | 158 Ų | 158 | 66.3 Ų | 66.3 | 60% | 0.596 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -107.2 | -38.8 | -169.4 | -61.2 | -175.1 | -175.8 | 159.6 | 11.5 | 115.1 | E45 | E45-R49 PolarHBondContact O-N 2.85Å; E45-R49 IonicContact OE1-CZ 2.78Å; E45-R49 IonicContact OE1-NE 2.63Å; E45-R49 IonicContact OE1-NH1 3.09Å; E45-R49 PolarHBondContact OE1-NH1 2.92Å; E45-R49 IonicContact OE1-NH2 2.71Å; E45-R49 PolarHBondContact OE1-NH2 3.07Å |
| 50 | E | 96.9 | Very high | 96.8 | Very high | 42 Ų | 42 | 68.2 Ų | 68.2 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -26.9 | -161 | -70 | -77.4 | 179.4 | 0 | 0 | 113.5 | F46 T52 D53 F54 V94 K98 | F46-E50 HydrophobicContact CD2-CB 3.59Å; F46-E50 HydrophobicContact CD2-CG 4.26Å; F46-E50 HydrophobicContact CE2-CB 3.63Å; F46-E50 HydrophobicContact CG-CB 4.34Å; F46-E50 HydrophobicContact CZ-CB 4.43Å; F46-E50 WeakPolarHBondContact O-CA 3.36Å; F46-E50 PolarHBondContact O-N 2.91Å; E50-T52 VanDerWaalsContact C-N 3.31Å; E50-T52 PolarHBondContact O-N 2.96Å; E50-D53 PolarHBondContact O-N 2.89Å; E50-F54 PolarHBondContact O-N 3.17Å; E50-V94 HydrophobicContact CG-CG1 4.06Å; E50-K98 HydrophobicContact CG-CD 4.48Å; E50-K98 IonicContact OE1-NZ 2.75Å; E50-K98 PolarHBondContact OE1-NZ 3.37Å; E50-K98 WeakPolarHBondContact OE2-CD 3.28Å; E50-K98 WeakPolarHBondContact OE2-CE 3.48Å; E50-K98 IonicContact OE2-NZ 3.57Å; E50-K98 PolarHBondContact OE2-NZ 3.34Å |
| 51 | V | 96.6 | Very high | 96.9 | Very high | 16 Ų | 16 | 68.7 Ų | 68.7 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.6 | -37.8 | -175.3 | 76.5 | 0 | 0 | 0 | 0 | 112.6 | L31 F46 V47 F54 A55 V63 | L31-V51 HydrophobicContact CD1-CG2 4.19Å; F46-V51 HydrophobicContact CE1-CB 4.24Å; F46-V51 HydrophobicContact CE1-CG2 4.38Å; F46-V51 PolarHBondContact O-N 2.84Å; V47-V51 HydrophobicContact CB-CG1 4.49Å; V47-V51 HydrophobicContact CG1-CG1 4.31Å; V47-V51 WeakPolarHBondContact O-CG1 3.34Å; V51-F54 PolarHBondContact O-N 2.82Å; V51-A55 WeakPolarHBondContact O-CB 3.44Å; V51-A55 PolarHBondContact O-N 2.81Å; V51-V63 HydrophobicContact CG2-CG1 3.73Å |
| 52 | T | 96.7 | Very high | 97 | Very high | 73 Ų | 73 | 63.5 Ų | 63.5 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | -180 | -55 | 0 | 0 | 0 | 0 | 110.8 | E50 A55 R56 | E50-T52 VanDerWaalsContact C-N 3.31Å; E50-T52 PolarHBondContact O-N 2.96Å; T52-A55 PolarHBondContact O-N 3.02Å; T52-R56 WeakPolarHBondContact O-CG 3.47Å; T52-R56 PolarHBondContact O-N 2.94Å |
| 53 | D | 97.4 | Very high | 97.1 | Very high | 75 Ų | 75 | 64.9 Ų | 64.9 | 40% | 0.401 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.9 | -34 | 177.6 | -71.1 | -19.1 | 0 | 0 | 0 | 111.9 | E50 R56 R57 | E50-D53 PolarHBondContact O-N 2.89Å; D53-R56 IonicContact OD1-NH1 3.22Å; D53-R57 WeakPolarHBondContact O-CG 3.14Å; D53-R57 PolarHBondContact O-N 3.41Å; D53-R57 VanDerWaalsContact O-N 3.09Å |
| 54 | F | 97.5 | Very high | 97.1 | Very high | 6 Ų | 6 | 69.7 Ų | 69.7 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 170.4 | 174.7 | -95.8 | 0 | 0 | 0 | 112 | L29 E50 V51 R56 R57 N58 V61 V63 V101 A105 | L29-F54 HydrophobicContact CD1-CE1 4.09Å; L29-F54 HydrophobicContact CD1-CZ 4.27Å; E50-F54 PolarHBondContact O-N 3.17Å; V51-F54 PolarHBondContact O-N 2.82Å; F54-R56 VanDerWaalsContact C-N 3.34Å; F54-R56 PolarHBondContact O-N 2.99Å; F54-R57 PolarHBondContact O-N 2.81Å; F54-N58 WeakPolarHBondContact CD2-ND2 3.4Å; F54-N58 VanDerWaalsContact CE2-ND2 3.32Å; F54-N58 WeakPolarHBondContact CE2-ND2 3.29Å; F54-N58 PolarHBondContact O-N 3.28Å; F54-N58 PolarHBondContact O-ND2 3.24Å; F54-V61 HydrophobicContact CE1-CG1 4.31Å; F54-V63 HydrophobicContact CD1-CG2 4.09Å; F54-V63 HydrophobicContact CE1-CG2 4.02Å; F54-V101 HydrophobicContact CD1-CG1 4.28Å; F54-V101 HydrophobicContact CD2-CG1 3.75Å; F54-V101 HydrophobicContact CE1-CG1 4.07Å; F54-V101 HydrophobicContact CE2-CG1 3.51Å; F54-V101 HydrophobicContact CG-CG1 4.14Å; F54-V101 HydrophobicContact CZ-CG1 3.68Å; F54-A105 HydrophobicContact CE2-CB 4.01Å; F54-A105 HydrophobicContact CZ-CB 4.07Å |
| 55 | A | 97.5 | Very high | 97.1 | Very high | 40 Ų | 40 | 68.8 Ų | 68.8 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V51 T52 N58 | V51-A55 WeakPolarHBondContact O-CB 3.44Å; V51-A55 PolarHBondContact O-N 2.81Å; T52-A55 PolarHBondContact O-N 3.02Å; A55-N58 CarbonylContact O-C 3.45Å; A55-N58 VanDerWaalsContact O-C 3.28Å; A55-N58 PolarHBondContact O-N 3.01Å |
| 56 | R | 97.4 | Very high | 97.1 | Very high | 188 Ų | 188 | 69.8 Ų | 69.8 | 71% | 0.709 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.3 | -39.7 | 174.1 | -75.1 | 173.3 | 177.8 | 174.7 | -3 | 112.9 | T52 D53 F54 N58 | T52-R56 WeakPolarHBondContact O-CG 3.47Å; T52-R56 PolarHBondContact O-N 2.94Å; D53-R56 IonicContact OD1-NH1 3.22Å; F54-R56 VanDerWaalsContact C-N 3.34Å; F54-R56 PolarHBondContact O-N 2.99Å; R56-N58 VanDerWaalsContact C-N 3.34Å |
| 57 | R | 97.5 | Very high | 97 | Very high | 130 Ų | 130 | 74.1 Ų | 74.1 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.1 | -29.1 | 177 | -73.5 | -175.4 | -65 | 132 | -2 | 112.9 | D53 F54 P59 | D53-R57 WeakPolarHBondContact O-CG 3.14Å; D53-R57 PolarHBondContact O-N 3.41Å; D53-R57 VanDerWaalsContact O-N 3.09Å; F54-R57 PolarHBondContact O-N 2.81Å; R57-P59 VanDerWaalsContact C-CD 3.48Å; R57-P59 WeakPolarHBondContact O-CD 3.49Å |
| 58 | N | 97 | Very high | 96.9 | Very high | 16 Ų | 16 | 78 Ų | 78 | 9% | 0.086 | 40% | 0.399 | C | S | . | . | trans | -123.5 | 71 | -174.3 | -56.2 | -85.6 | 0 | 0 | 0 | 110.7 | Q24 F54 A55 R56 G60 V61 | Q24-N58 PolarHBondContact NE2-OD1 3.49Å; F54-N58 WeakPolarHBondContact CD2-ND2 3.4Å; F54-N58 VanDerWaalsContact CE2-ND2 3.32Å; F54-N58 WeakPolarHBondContact CE2-ND2 3.29Å; F54-N58 PolarHBondContact O-N 3.28Å; F54-N58 PolarHBondContact O-ND2 3.24Å; A55-N58 CarbonylContact O-C 3.45Å; A55-N58 VanDerWaalsContact O-C 3.28Å; A55-N58 PolarHBondContact O-N 3.01Å; R56-N58 VanDerWaalsContact C-N 3.34Å; N58-G60 PolarHBondContact O-N 2.88Å; N58-G60 VanDerWaalsContact O-N 3.08Å; N58-V61 HydrophobicContact CB-CB 4.23Å; N58-V61 HydrophobicContact CB-CG2 3.91Å; N58-V61 PolarHBondContact O-N 3.12Å | ||
| 59 | P | 97.2 | Very high | 96.8 | Very high | 120 Ų | 120 | 77.4 Ų | 77.4 | 78% | 0.779 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -16.2 | -177.3 | 26.6 | -35.6 | 0 | 0 | 0 | 113.8 | R57 V61 | R57-P59 VanDerWaalsContact C-CD 3.48Å; R57-P59 WeakPolarHBondContact O-CD 3.49Å; P59-V61 VanDerWaalsContact C-N 3.35Å |
| 60 | G | 96.2 | Very high | 96.7 | Very high | 56 Ų | 56 | 70.6 Ų | 70.6 | 58% | 0.577 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -9.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N58 | N58-G60 PolarHBondContact O-N 2.88Å; N58-G60 VanDerWaalsContact O-N 3.08Å |
| 61 | V | 98 | Very high | 96.4 | Very high | 9 Ų | 9 | 72.5 Ų | 72.5 | 6% | 0.055 | 41% | 0.406 | C | S | . | . | trans | -105 | 123.8 | -176.9 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | Q24 L26 L29 F54 N58 P59 V63 | Q24-V61 HydrophobicContact CG-CG2 4.35Å; L26-V61 HydrophobicContact CB-CG2 4.28Å; L26-V61 HydrophobicContact CD2-CG1 3.84Å; L26-V61 HydrophobicContact CD2-CG2 4.15Å; L26-V61 HydrophobicContact CG-CG1 4.03Å; L26-V61 HydrophobicContact CG-CG2 4.23Å; L29-V61 HydrophobicContact CB-CG1 4.29Å; F54-V61 HydrophobicContact CE1-CG1 4.31Å; N58-V61 HydrophobicContact CB-CB 4.23Å; N58-V61 HydrophobicContact CB-CG2 3.91Å; N58-V61 PolarHBondContact O-N 3.12Å; P59-V61 VanDerWaalsContact C-N 3.35Å; V61-V63 HydrophobicContact CG1-CG2 4.39Å | ||
| 62 | V | 97.7 | Very high | 96.3 | Very high | 72 Ų | 72 | 75.4 Ų | 75.4 | 44% | 0.436 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.9 | 173 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | Q27 R28 L29 Y64 | Q27-V62 PolarHBondContact O-N 3.14Å; R28-V62 CarbonylContact C-O 3.56Å; R28-V62 WeakPolarHBondContact CA-O 3.31Å; R28-V62 HydrophobicContact CG-CB 4.33Å; L29-V62 PolarHBondContact N-O 3.04Å; V62-Y64 HydrophobicContact CB-CE2 4.31Å; V62-Y64 HydrophobicContact CG1-CD2 4.21Å; V62-Y64 HydrophobicContact CG1-CE1 4.29Å; V62-Y64 HydrophobicContact CG1-CE2 3.55Å |
| 63 | V | 97.8 | Very high | 96.3 | Very high | 35 Ų | 35 | 71.9 Ų | 71.9 | 21% | 0.212 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.1 | 179.5 | -174 | 0 | 0 | 0 | 0 | 110.1 | L29 L31 V51 F54 V61 | L29-V63 HydrophobicContact CB-CG2 4.49Å; L29-V63 CarbonylContact O-C 3.6Å; L29-V63 WeakPolarHBondContact O-CA 3.29Å; L31-V63 HydrophobicContact CD1-CG1 4.35Å; V51-V63 HydrophobicContact CG2-CG1 3.73Å; F54-V63 HydrophobicContact CD1-CG2 4.09Å; F54-V63 HydrophobicContact CE1-CG2 4.02Å; V61-V63 HydrophobicContact CG1-CG2 4.39Å |
| 64 | Y | 97.7 | Very high | 96.3 | Very high | 111 Ų | 111 | 72.1 Ų | 72.1 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 134.2 | 172.7 | -64.8 | -79 | 0 | 0 | 0 | 110.2 | R28 L29 L31 V62 | R28-Y64 HydrophobicContact CG-CE2 4.19Å; L29-Y64 PolarHBondContact O-N 3.24Å; L31-Y64 PolarHBondContact N-O 3.35Å; V62-Y64 HydrophobicContact CB-CE2 4.31Å; V62-Y64 HydrophobicContact CG1-CD2 4.21Å; V62-Y64 HydrophobicContact CG1-CE1 4.29Å; V62-Y64 HydrophobicContact CG1-CE2 3.55Å |
| 65 | V | 97 | Very high | 96.3 | Very high | 57 Ų | 57 | 71.9 Ų | 71.9 | 35% | 0.345 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 110.8 | 173.9 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | L31 L33 V47 P67 | L31-V65 HydrophobicContact CD1-CG2 4.37Å; L33-V65 HydrophobicContact CD2-CG1 3.94Å; V47-V65 HydrophobicContact CG1-CG1 4.03Å; V47-V65 HydrophobicContact CG1-CG2 4.35Å; V47-V65 HydrophobicContact CG2-CG1 4.27Å; V47-V65 HydrophobicContact CG2-CG2 4.44Å; V65-P67 WeakPolarHBondContact O-CD 3.39Å |
| 66 | N | 96.1 | Very high | 96.3 | Very high | 79 Ų | 79 | 71.7 Ų | 71.7 | 42% | 0.422 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 88.5 | -178.3 | -64.5 | -35.8 | 0 | 0 | 0 | 109.4 | L31 L33 R68 | L31-N66 PolarHBondContact O-N 3.12Å; L33-N66 PolarHBondContact N-O 2.88Å; N66-R68 PolarHBondContact O-N 2.71Å; N66-R68 VanDerWaalsContact O-N 3.17Å |
| 67 | P | 95.4 | Very high | 96.3 | Very high | 97 Ų | 97 | 62.8 Ų | 62.8 | 63% | 0.63 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 110 | 172.4 | 29.1 | -32.8 | 0 | 0 | 0 | 108.9 | L33 V65 | L33-P67 HydrophobicContact CD1-CB 4.49Å; L33-P67 CarbonylContact O-C 3.49Å; L33-P67 WeakPolarHBondContact O-CA 3.43Å; V65-P67 WeakPolarHBondContact O-CD 3.39Å |
| 68 | R | 95.4 | Very high | 96.4 | Very high | 117 Ų | 117 | 58.8 Ų | 58.8 | 44% | 0.442 | 34% | 0.341 | S | S | . | . | trans | -140.7 | 148.2 | 177.7 | 78.9 | -176.7 | -149.3 | -71.7 | 11.3 | 110.3 | S32 L33 S34 N66 C70 | S32-R68 PolarHBondContact OG-NH1 2.75Å; L33-R68 CarbonylContact C-O 3.6Å; L33-R68 PolarHBondContact O-N 3.49Å; S34-R68 WeakPolarHBondContact CA-O 3.42Å; N66-R68 PolarHBondContact O-N 2.71Å; N66-R68 VanDerWaalsContact O-N 3.17Å; R68-C70 HydrophobicContact CG-CB 4.29Å; R68-C70 PolarHBondContact O-N 3.35Å | ||
| 69 | P | 94.3 | Very high | 96.4 | Very high | 129 Ų | 129 | 58.3 Ų | 58.3 | 84% | 0.838 | 34% | 0.338 | S | S | * | . | trans | -56.7 | 108.3 | 170.3 | -23.3 | 34.1 | 0 | 0 | 0 | 110.3 | ||||
| 70 | C | 92.5 | Very high | 96.4 | Very high | 15 Ų | 15 | 56.8 Ų | 56.8 | 10% | 0.101 | 32% | 0.322 | C | S | . | . | trans | -139.7 | 142.6 | 177.1 | 69.3 | 0 | 0 | 0 | 0 | 110.4 | S34 R68 | S34-C70 VanDerWaalsContact CB-O 3.3Å; S34-C70 WeakPolarHBondContact CB-O 3.5Å; S34-C70 PolarHBondContact N-SG 2.97Å; R68-C70 HydrophobicContact CG-CB 4.29Å; R68-C70 PolarHBondContact O-N 3.35Å | ||
| 71 | A | 91.2 | Very high | 96.4 | Very high | 81 Ų | 81 | 57.3 Ų | 57.3 | 67% | 0.669 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -75.7 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S39 | S39-A71 WeakPolarHBondContact CB-O 3.44Å; S39-A71 PolarHBondContact OG-O 2.82Å |
| 72 | M | 94 | Very high | 96.4 | Very high | 77 Ų | 77 | 59.8 Ų | 59.8 | 38% | 0.379 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -122.6 | 116.6 | -179.3 | -60.8 | -173.4 | 82.4 | 0 | 0 | 109.9 | R74 N90 | M72-R74 WeakPolarHBondContact O-CG 3.11Å; M72-N90 HydrophobicContact CE-CB 3.77Å |
| 73 | P | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | -70.5 | 144.2 | 175 | 31.4 | -37.3 | 0 | 0 | 0 | 110.9 | S32 A43 V89 | S32-P73 CarbonylContact O-C 3.28Å; S32-P73 WeakPolarHBondContact O-CA 3.45Å; S32-P73 WeakPolarHBondContact O-CB 3.48Å; A43-P73 HydrophobicContact CB-CB 4.29Å; P73-V89 HydrophobicContact CB-CG2 3.82Å; P73-V89 HydrophobicContact CG-CG2 3.93Å; P73-V89 WeakPolarHBondContact O-CG2 3.19Å; P73-V89 PolarHBondContact O-N 2.8Å | ||
| 74 | R | 97.2 | Very high | 96.4 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 30% | 0.302 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 149 | -174.4 | -50.5 | -164.6 | 178.8 | -149 | -7.6 | 111.9 | S32 M72 E86 N88 | S32-R74 PolarHBondContact N-O 3.49Å; S32-R74 PolarHBondContact O-N 3.43Å; S32-R74 PolarHBondContact OG-N 3.22Å; S32-R74 PolarHBondContact OG-O 3.18Å; M72-R74 WeakPolarHBondContact O-CG 3.11Å; R74-E86 WeakPolarHBondContact CD-OE1 3.02Å; R74-E86 IonicContact CZ-OE1 2.67Å; R74-E86 IonicContact NE-OE1 3.15Å; R74-E86 IonicContact NH1-OE1 3.97Å; R74-E86 PolarHBondContact NH1-OE1 2.96Å; R74-E86 IonicContact NH1-OE2 3.18Å; R74-N88 WeakPolarHBondContact CD-OD1 3.42Å; R74-N88 WeakPolarHBondContact CG-OD1 3.44Å; R74-N88 PolarHBondContact NE-OD1 2.92Å |
| 75 | I | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.3 | 174.4 | -56 | -166.4 | 0 | 0 | 0 | 107.9 | L29 S30 L31 E86 E87 V89 I97 L100 V101 L104 | L29-I75 HydrophobicContact CD2-CG2 3.54Å; L29-I75 HydrophobicContact CG-CG2 4Å; S30-I75 WeakPolarHBondContact O-CA 3.31Å; L31-I75 HydrophobicContact CD2-CB 4.2Å; L31-I75 HydrophobicContact CD2-CD1 3.51Å; L31-I75 HydrophobicContact CD2-CG1 3.47Å; L31-I75 VanDerWaalsContact CD2-CG1 3.47Å; L31-I75 HydrophobicContact CD2-CG2 4.04Å; I75-E86 WeakPolarHBondContact O-CA 3.02Å; I75-E87 PolarHBondContact N-O 2.78Å; I75-E87 PolarHBondContact O-N 2.63Å; I75-V89 HydrophobicContact CD1-CG1 3.6Å; I75-V89 HydrophobicContact CD1-CG2 4.37Å; I75-V89 HydrophobicContact CG1-CG1 3.74Å; I75-V89 HydrophobicContact CG1-CG2 3.99Å; I75-I97 HydrophobicContact CD1-CG2 4.19Å; I75-L100 HydrophobicContact CD1-CD2 4Å; I75-V101 HydrophobicContact CD1-CG2 3.77Å; I75-L104 HydrophobicContact CG2-CD1 3.95Å |
| 76 | V | 98.1 | Very high | 96.4 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 22% | 0.218 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118.8 | 173.4 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | L29 S30 E78 V84 E86 | L29-V76 CarbonylContact C-O 3.56Å; L29-V76 WeakPolarHBondContact CA-O 3.27Å; S30-V76 PolarHBondContact N-O 3.34Å; S30-V76 PolarHBondContact O-N 3.35Å; V76-E78 HydrophobicContact CG1-CG 4.37Å; V76-V84 HydrophobicContact CG1-CG1 3.54Å; V76-E86 HydrophobicContact CG2-CG 4.25Å |
| 77 | A | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | L26 Y79 V84 R85 L104 | L26-A77 HydrophobicContact CD1-CB 3.66Å; A77-Y79 HydrophobicContact CB-CE2 4.18Å; A77-V84 WeakPolarHBondContact O-CA 3.45Å; A77-R85 HydrophobicContact CB-CB 4.49Å; A77-R85 PolarHBondContact N-O 2.83Å; A77-R85 PolarHBondContact O-N 2.84Å; A77-L104 HydrophobicContact CB-CB 4.4Å; A77-L104 HydrophobicContact CB-CD1 4.19Å; A77-L104 HydrophobicContact CB-CD2 4.19Å; A77-L104 HydrophobicContact CB-CG 4.5Å |
| 78 | E | 98.4 | Very high | 96.4 | Very high | 47 Ų | 47 | 57.1 Ų | 57.1 | 22% | 0.22 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 130.3 | 178.8 | -60 | 174.6 | -148 | 0 | 0 | 109.5 | Q27 R28 V76 V84 | Q27-E78 PolarHBondContact N-O 3.04Å; R28-E78 HydrophobicContact CB-CB 4.24Å; R28-E78 IonicContact CZ-OE2 2.83Å; R28-E78 PolarHBondContact N-O 2.88Å; R28-E78 IonicContact NE-OE2 3.46Å; R28-E78 PolarHBondContact NE-OE2 3Å; R28-E78 IonicContact NH2-OE2 3.63Å; R28-E78 PolarHBondContact NH2-OE2 3.29Å; R28-E78 PolarHBondContact O-N 3.03Å; V76-E78 HydrophobicContact CG1-CG 4.37Å; E78-V84 HydrophobicContact CG-CG1 4.32Å; E78-V84 HydrophobicContact CG-CG2 4.22Å |
| 79 | Y | 98.4 | Very high | 96.4 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 2% | 0.024 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 159.5 | -175.2 | -64 | -85.6 | 0 | 0 | 0 | 111.9 | Q25 L26 A77 N81 G82 A83 R85 L104 Q107 G109 | Q25-Y79 HydrophobicContact CB-CD1 4.25Å; Q25-Y79 CarbonylContact O-C 3.59Å; Q25-Y79 VanDerWaalsContact O-CA 3.24Å; Q25-Y79 WeakPolarHBondContact O-CA 3.43Å; L26-Y79 HydrophobicContact CB-CD1 4.44Å; L26-Y79 HydrophobicContact CB-CE1 4.28Å; L26-Y79 HydrophobicContact CD1-CD1 4.46Å; L26-Y79 HydrophobicContact CD1-CE1 4.13Å; A77-Y79 HydrophobicContact CB-CE2 4.18Å; Y79-N81 WeakPolarHBondContact CB-OD1 3.3Å; Y79-N81 PolarHBondContact O-N 3.37Å; Y79-G82 PolarHBondContact O-N 3.48Å; Y79-A83 HydrophobicContact CD2-CB 4.31Å; Y79-A83 WeakPolarHBondContact CD2-O 3.47Å; Y79-A83 PolarHBondContact N-O 2.93Å; Y79-R85 HydrophobicContact CE2-CB 4.04Å; Y79-L104 WeakPolarHBondContact CE1-O 3.26Å; Y79-L104 PolarHBondContact OH-O 2.91Å; Y79-Q107 HydrophobicContact CE1-CB 4.13Å; Y79-Q107 VanDerWaalsContact CE1-O 3.29Å; Y79-Q107 WeakPolarHBondContact CE1-O 3.37Å; Y79-Q107 PolarHBondContact OH-OE1 3.48Å; Y79-G109 VanDerWaalsContact CD2-CA 3.43Å |
| 80 | L | 97.1 | Very high | 96.4 | Very high | 87 Ų | 87 | 48.5 Ų | 48.5 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.2 | -179.6 | -68.5 | 179 | 0 | 0 | 0 | 114.2 | V23 Q25 Q27 G82 | V23-L80 HydrophobicContact CG1-CD1 4.05Å; Q25-L80 PolarHBondContact O-N 3.25Å; Q27-L80 HydrophobicContact CB-CD2 4.12Å; Q27-L80 HydrophobicContact CG-CD2 4.17Å; L80-G82 PolarHBondContact O-N 3.02Å |
| 81 | N | 95.9 | Very high | 96.5 | Very high | 68 Ų | 68 | 52 Ų | 52 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 1 | 175.1 | 69 | -21.3 | 0 | 0 | 0 | 113.5 | V14 Y79 A83 G109 | V14-N81 HydrophobicContact CG1-CB 4.42Å; Y79-N81 WeakPolarHBondContact CB-OD1 3.3Å; Y79-N81 PolarHBondContact O-N 3.37Å; N81-A83 VanDerWaalsContact C-N 3.32Å; N81-A83 VanDerWaalsContact OD1-CB 3.26Å; N81-A83 WeakPolarHBondContact OD1-CB 3.35Å; N81-A83 PolarHBondContact OD1-N 2.84Å; N81-A83 VanDerWaalsContact OD1-N 3.09Å; N81-G109 PolarHBondContact ND2-O 2.98Å |
| 82 | G | 96.8 | Very high | 96.7 | Very high | 61 Ų | 61 | 51 Ų | 51 | 63% | 0.629 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 84.2 | -0.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y79 L80 | Y79-G82 PolarHBondContact O-N 3.48Å; L80-G82 PolarHBondContact O-N 3.02Å |
| 83 | A | 97.4 | Very high | 96.9 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 22% | 0.223 | 28% | 0.278 | C | S | . | . | trans | -68.5 | 140.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y79 N81 G109 | Y79-A83 HydrophobicContact CD2-CB 4.31Å; Y79-A83 WeakPolarHBondContact CD2-O 3.47Å; Y79-A83 PolarHBondContact N-O 2.93Å; N81-A83 VanDerWaalsContact C-N 3.32Å; N81-A83 VanDerWaalsContact OD1-CB 3.26Å; N81-A83 WeakPolarHBondContact OD1-CB 3.35Å; N81-A83 PolarHBondContact OD1-N 2.84Å; N81-A83 VanDerWaalsContact OD1-N 3.09Å; A83-G109 WeakPolarHBondContact CB-O 3.33Å | ||
| 84 | V | 98.1 | Very high | 96.9 | Very high | 97 Ų | 97 | 49.9 Ų | 49.9 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.4 | 177.8 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | V76 A77 E78 | V76-V84 HydrophobicContact CG1-CG1 3.54Å; A77-V84 WeakPolarHBondContact O-CA 3.45Å; E78-V84 HydrophobicContact CG-CG1 4.32Å; E78-V84 HydrophobicContact CG-CG2 4.22Å |
| 85 | R | 97.3 | Very high | 96.9 | Very high | 59 Ų | 59 | 52.5 Ų | 52.5 | 22% | 0.223 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 118.7 | 177.5 | -176.5 | 172.1 | 177 | 151.9 | 13.7 | 109.9 | A77 Y79 E87 L104 Q107 | A77-R85 HydrophobicContact CB-CB 4.49Å; A77-R85 PolarHBondContact N-O 2.83Å; A77-R85 PolarHBondContact O-N 2.84Å; Y79-R85 HydrophobicContact CE2-CB 4.04Å; R85-E87 HydrophobicContact CG-CG 4.3Å; R85-E87 IonicContact CZ-OE1 2.78Å; R85-E87 IonicContact NE-OE1 2.76Å; R85-E87 PolarHBondContact NE-OE1 2.76Å; R85-E87 IonicContact NH2-OE1 3.65Å; R85-E87 PolarHBondContact NH2-OE1 3.09Å; R85-L104 HydrophobicContact CG-CD2 4.14Å; R85-Q107 VanDerWaalsContact NH1-CD 3.3Å; R85-Q107 VanDerWaalsContact NH1-NE2 3.13Å |
| 86 | E | 97.2 | Very high | 96.9 | Very high | 105 Ų | 105 | 57.2 Ų | 57.2 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.3 | 174.5 | -171.1 | 177.8 | -171.6 | 0 | 0 | 110 | R74 I75 V76 | R74-E86 WeakPolarHBondContact CD-OE1 3.02Å; R74-E86 IonicContact CZ-OE1 2.67Å; R74-E86 IonicContact NE-OE1 3.15Å; R74-E86 IonicContact NH1-OE1 3.97Å; R74-E86 PolarHBondContact NH1-OE1 2.96Å; R74-E86 IonicContact NH1-OE2 3.18Å; I75-E86 WeakPolarHBondContact O-CA 3.02Å; V76-E86 HydrophobicContact CG2-CG 4.25Å |
| 87 | E | 96.7 | Very high | 96.9 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.8 | 177.7 | -72.1 | -73.6 | 168.9 | 0 | 0 | 110 | I75 R85 L100 L104 | I75-E87 PolarHBondContact N-O 2.78Å; I75-E87 PolarHBondContact O-N 2.63Å; R85-E87 HydrophobicContact CG-CG 4.3Å; R85-E87 IonicContact CZ-OE1 2.78Å; R85-E87 IonicContact NE-OE1 2.76Å; R85-E87 PolarHBondContact NE-OE1 2.76Å; R85-E87 IonicContact NH2-OE1 3.65Å; R85-E87 PolarHBondContact NH2-OE1 3.09Å; E87-L100 HydrophobicContact CB-CD1 4.38Å; E87-L100 HydrophobicContact CB-CD2 4.11Å; E87-L100 HydrophobicContact CG-CD2 4.49Å; E87-L104 HydrophobicContact CG-CD1 4.38Å; E87-L104 HydrophobicContact CG-CD2 4.22Å |
| 88 | N | 95.3 | Very high | 96.8 | Very high | 67 Ų | 67 | 59.5 Ų | 59.5 | 36% | 0.358 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 133.5 | 174.3 | -68.1 | -44.3 | 0 | 0 | 0 | 110 | R74 K92 | R74-N88 WeakPolarHBondContact CD-OD1 3.42Å; R74-N88 WeakPolarHBondContact CG-OD1 3.44Å; R74-N88 PolarHBondContact NE-OD1 2.92Å; N88-K92 WeakPolarHBondContact O-CE 3.26Å; N88-K92 PolarHBondContact O-NZ 2.83Å |
| 89 | V | 95.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | trans | -117.7 | 26.8 | 177.4 | -65.8 | 0 | 0 | 0 | 0 | 112.8 | A43 P73 I75 S91 K92 I97 L100 | A43-V89 HydrophobicContact CB-CG2 4.45Å; P73-V89 HydrophobicContact CB-CG2 3.82Å; P73-V89 HydrophobicContact CG-CG2 3.93Å; P73-V89 WeakPolarHBondContact O-CG2 3.19Å; P73-V89 PolarHBondContact O-N 2.8Å; I75-V89 HydrophobicContact CD1-CG1 3.6Å; I75-V89 HydrophobicContact CD1-CG2 4.37Å; I75-V89 HydrophobicContact CG1-CG1 3.74Å; I75-V89 HydrophobicContact CG1-CG2 3.99Å; V89-S91 PolarHBondContact O-N 2.96Å; V89-K92 HydrophobicContact CB-CD 4.33Å; V89-K92 HydrophobicContact CG1-CD 4.3Å; V89-K92 PolarHBondContact O-N 2.94Å; V89-I97 HydrophobicContact CB-CD1 4.26Å; V89-I97 HydrophobicContact CB-CG1 4.13Å; V89-I97 HydrophobicContact CG1-CG1 4.21Å; V89-L100 HydrophobicContact CG1-CD2 4.16Å | ||
| 90 | N | 95.1 | Very high | 96.8 | Very high | 63 Ų | 63 | 61 Ų | 61 | 34% | 0.337 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 120.9 | 179.2 | -174.8 | 53.2 | 0 | 0 | 0 | 111.9 | S39 M72 K92 | S39-N90 WeakPolarHBondContact CB-OD1 3.35Å; M72-N90 HydrophobicContact CE-CB 3.77Å; N90-K92 PolarHBondContact O-N 2.97Å; N90-K92 VanDerWaalsContact O-N 3.14Å |
| 91 | S | 93.7 | Very high | 96.8 | Very high | 89 Ų | 89 | 56.9 Ų | 56.9 | 62% | 0.622 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 25.2 | 176.7 | -55.9 | 0 | 0 | 0 | 0 | 115.1 | S39 V89 | S39-S91 PolarHBondContact O-N 3.34Å; V89-S91 PolarHBondContact O-N 2.96Å |
| 92 | K | 96.4 | Very high | 96.9 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | trans | -82.5 | 149.2 | 172.9 | -67.6 | -173.3 | -178.9 | 163.3 | 0 | 111.3 | G42 N88 V89 N90 E96 I97 | G42-K92 WeakPolarHBondContact CA-O 3.2Å; N88-K92 WeakPolarHBondContact O-CE 3.26Å; N88-K92 PolarHBondContact O-NZ 2.83Å; V89-K92 HydrophobicContact CB-CD 4.33Å; V89-K92 HydrophobicContact CG1-CD 4.3Å; V89-K92 PolarHBondContact O-N 2.94Å; N90-K92 PolarHBondContact O-N 2.97Å; N90-K92 VanDerWaalsContact O-N 3.14Å; K92-E96 WeakPolarHBondContact CA-OE2 3.43Å; K92-E96 HydrophobicContact CB-CB 4.18Å; K92-I97 HydrophobicContact CB-CD1 4.21Å; K92-I97 HydrophobicContact CB-CG1 3.83Å | ||
| 93 | S | 96.9 | Very high | 96.9 | Very high | 46 Ų | 46 | 57.4 Ų | 57.4 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | trans | -70 | 164.8 | 169.4 | 59.8 | 0 | 0 | 0 | 0 | 111.8 | E95 E96 I97 | S93-E95 VanDerWaalsContact C-N 3.28Å; S93-E95 PolarHBondContact O-N 3.07Å; S93-E96 PolarHBondContact N-OE2 3.21Å; S93-E96 PolarHBondContact O-N 3.3Å; S93-E96 WeakPolarHBondContact OG-CB 3.44Å; S93-E96 VanDerWaalsContact OG-CD 3.22Å; S93-E96 WeakPolarHBondContact OG-CG 3.32Å; S93-E96 PolarHBondContact OG-N 2.89Å; S93-E96 PolarHBondContact OG-OE2 2.93Å; S93-I97 VanDerWaalsContact O-CG1 3.29Å; S93-I97 WeakPolarHBondContact O-CG1 3.5Å; S93-I97 PolarHBondContact O-N 2.96Å | ||
| 94 | V | 97 | Very high | 96.9 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.4 | -39 | 179.5 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | E45 F46 E50 I97 K98 | E45-V94 HydrophobicContact CB-CG2 3.59Å; E45-V94 HydrophobicContact CG-CG2 3.58Å; E45-V94 WeakPolarHBondContact OE2-CG2 2.83Å; F46-V94 HydrophobicContact CB-CG1 4.21Å; F46-V94 HydrophobicContact CD2-CG1 4.33Å; E50-V94 HydrophobicContact CG-CG1 4.06Å; V94-I97 PolarHBondContact O-N 3.5Å; V94-K98 VanDerWaalsContact O-CB 3.31Å; V94-K98 WeakPolarHBondContact O-CB 3.19Å; V94-K98 PolarHBondContact O-N 3.43Å |
| 95 | E | 97.4 | Very high | 96.9 | Very high | 134 Ų | 134 | 51.5 Ų | 51.5 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -67.1 | -40.8 | -179.6 | -62.9 | 71.2 | -156.4 | 0 | 0 | 111.5 | S93 K98 S99 | S93-E95 VanDerWaalsContact C-N 3.28Å; S93-E95 PolarHBondContact O-N 3.07Å; E95-K98 PolarHBondContact O-N 2.88Å; E95-S99 WeakPolarHBondContact O-CB 3.29Å; E95-S99 PolarHBondContact O-N 3.28Å; E95-S99 PolarHBondContact O-OG 2.93Å |
| 96 | E | 97.7 | Very high | 96.8 | Very high | 100 Ų | 100 | 53.6 Ų | 53.6 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 173.2 | -74.4 | 170 | 141.1 | 0 | 0 | 111.7 | K92 S93 S99 L100 | K92-E96 WeakPolarHBondContact CA-OE2 3.43Å; K92-E96 HydrophobicContact CB-CB 4.18Å; S93-E96 PolarHBondContact N-OE2 3.21Å; S93-E96 PolarHBondContact O-N 3.3Å; S93-E96 WeakPolarHBondContact OG-CB 3.44Å; S93-E96 VanDerWaalsContact OG-CD 3.22Å; S93-E96 WeakPolarHBondContact OG-CG 3.32Å; S93-E96 PolarHBondContact OG-N 2.89Å; S93-E96 PolarHBondContact OG-OE2 2.93Å; E96-S99 WeakPolarHBondContact CA-OG 3.41Å; E96-S99 PolarHBondContact O-OG 2.98Å; E96-L100 WeakPolarHBondContact O-CB 3.21Å; E96-L100 PolarHBondContact O-N 2.99Å |
| 97 | I | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.1 | -42.8 | 176.2 | -66.3 | 169.4 | 0 | 0 | 0 | 110.2 | G42 A43 F46 I75 V89 K92 S93 V94 L100 V101 | G42-I97 VanDerWaalsContact C-CD1 3.48Å; A43-I97 HydrophobicContact CB-CD1 4.21Å; F46-I97 HydrophobicContact CB-CG2 4.13Å; F46-I97 HydrophobicContact CD1-CG2 3.91Å; F46-I97 HydrophobicContact CD2-CB 4.35Å; F46-I97 HydrophobicContact CD2-CG2 3.8Å; F46-I97 HydrophobicContact CE1-CG2 4.3Å; F46-I97 HydrophobicContact CE2-CG2 4.21Å; F46-I97 HydrophobicContact CG-CB 4.44Å; F46-I97 HydrophobicContact CG-CG2 3.65Å; F46-I97 HydrophobicContact CZ-CG2 4.44Å; I75-I97 HydrophobicContact CD1-CG2 4.19Å; V89-I97 HydrophobicContact CB-CD1 4.26Å; V89-I97 HydrophobicContact CB-CG1 4.13Å; V89-I97 HydrophobicContact CG1-CG1 4.21Å; K92-I97 HydrophobicContact CB-CD1 4.21Å; K92-I97 HydrophobicContact CB-CG1 3.83Å; S93-I97 VanDerWaalsContact O-CG1 3.29Å; S93-I97 WeakPolarHBondContact O-CG1 3.5Å; S93-I97 PolarHBondContact O-N 2.96Å; V94-I97 PolarHBondContact O-N 3.5Å; I97-L100 PolarHBondContact O-N 2.88Å; I97-V101 HydrophobicContact CG2-CG2 4.22Å; I97-V101 WeakPolarHBondContact O-CB 3.44Å; I97-V101 WeakPolarHBondContact O-CG2 3.5Å; I97-V101 PolarHBondContact O-N 3.28Å |
| 98 | K | 97.3 | Very high | 96.8 | Very high | 83 Ų | 83 | 51.2 Ų | 51.2 | 36% | 0.361 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 177.3 | -178.9 | 175.1 | -177.2 | 160.9 | 0 | 112 | F46 E50 V94 E95 L100 V101 Q102 | F46-K98 HydrophobicContact CD2-CB 4.43Å; F46-K98 HydrophobicContact CE2-CB 4.13Å; E50-K98 HydrophobicContact CG-CD 4.48Å; E50-K98 IonicContact OE1-NZ 2.75Å; E50-K98 PolarHBondContact OE1-NZ 3.37Å; E50-K98 WeakPolarHBondContact OE2-CD 3.28Å; E50-K98 WeakPolarHBondContact OE2-CE 3.48Å; E50-K98 IonicContact OE2-NZ 3.57Å; E50-K98 PolarHBondContact OE2-NZ 3.34Å; V94-K98 VanDerWaalsContact O-CB 3.31Å; V94-K98 WeakPolarHBondContact O-CB 3.19Å; V94-K98 PolarHBondContact O-N 3.43Å; E95-K98 PolarHBondContact O-N 2.88Å; K98-L100 VanDerWaalsContact C-N 3.33Å; K98-L100 PolarHBondContact O-N 3.35Å; K98-V101 PolarHBondContact O-N 2.82Å; K98-Q102 WeakPolarHBondContact O-CB 3.48Å; K98-Q102 PolarHBondContact O-N 3.05Å |
| 99 | S | 97.6 | Very high | 96.8 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 52% | 0.517 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 175.9 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | E95 E96 K103 | E95-S99 WeakPolarHBondContact O-CB 3.29Å; E95-S99 PolarHBondContact O-N 3.28Å; E95-S99 PolarHBondContact O-OG 2.93Å; E96-S99 WeakPolarHBondContact CA-OG 3.41Å; E96-S99 PolarHBondContact O-OG 2.98Å; S99-K103 VanDerWaalsContact O-CB 3.32Å; S99-K103 WeakPolarHBondContact O-CB 3.18Å; S99-K103 PolarHBondContact O-N 2.91Å |
| 100 | L | 97.7 | Very high | 96.9 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 175.8 | -177.5 | 139.8 | 0 | 0 | 0 | 112.4 | I75 E87 V89 E96 I97 K98 K103 L104 | I75-L100 HydrophobicContact CD1-CD2 4Å; E87-L100 HydrophobicContact CB-CD1 4.38Å; E87-L100 HydrophobicContact CB-CD2 4.11Å; E87-L100 HydrophobicContact CG-CD2 4.49Å; V89-L100 HydrophobicContact CG1-CD2 4.16Å; E96-L100 WeakPolarHBondContact O-CB 3.21Å; E96-L100 PolarHBondContact O-N 2.99Å; I97-L100 PolarHBondContact O-N 2.88Å; K98-L100 VanDerWaalsContact C-N 3.33Å; K98-L100 PolarHBondContact O-N 3.35Å; L100-K103 WeakPolarHBondContact O-CB 3.32Å; L100-K103 PolarHBondContact O-N 2.92Å; L100-L104 HydrophobicContact CD2-CD1 3.75Å; L100-L104 HydrophobicContact CD2-CG 4.47Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; L100-L104 PolarHBondContact O-N 3.18Å |
| 101 | V | 97.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 177.2 | 167.2 | 0 | 0 | 0 | 0 | 110.8 | L29 F46 F54 I75 I97 K98 L104 A105 | L29-V101 HydrophobicContact CD1-CG1 3.7Å; L29-V101 HydrophobicContact CD1-CG2 4.36Å; F46-V101 HydrophobicContact CE1-CG2 4.24Å; F46-V101 HydrophobicContact CZ-CB 4.22Å; F46-V101 HydrophobicContact CZ-CG1 4.23Å; F46-V101 HydrophobicContact CZ-CG2 3.92Å; F54-V101 HydrophobicContact CD1-CG1 4.28Å; F54-V101 HydrophobicContact CD2-CG1 3.75Å; F54-V101 HydrophobicContact CE1-CG1 4.07Å; F54-V101 HydrophobicContact CE2-CG1 3.51Å; F54-V101 HydrophobicContact CG-CG1 4.14Å; F54-V101 HydrophobicContact CZ-CG1 3.68Å; I75-V101 HydrophobicContact CD1-CG2 3.77Å; I97-V101 HydrophobicContact CG2-CG2 4.22Å; I97-V101 WeakPolarHBondContact O-CB 3.44Å; I97-V101 WeakPolarHBondContact O-CG2 3.5Å; I97-V101 PolarHBondContact O-N 3.28Å; K98-V101 PolarHBondContact O-N 2.82Å; V101-L104 PolarHBondContact O-N 3.05Å; V101-A105 PolarHBondContact O-N 3.32Å |
| 102 | Q | 97.3 | Very high | 97 | Very high | 51 Ų | 51 | 53.7 Ų | 53.7 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 174.9 | -170.9 | 61.6 | 57.3 | 0 | 0 | 111.2 | K98 L104 A105 D106 | K98-Q102 WeakPolarHBondContact O-CB 3.48Å; K98-Q102 PolarHBondContact O-N 3.05Å; Q102-L104 VanDerWaalsContact C-N 3.28Å; Q102-L104 PolarHBondContact O-N 2.78Å; Q102-A105 WeakPolarHBondContact O-CB 3.46Å; Q102-A105 PolarHBondContact O-N 3.16Å; Q102-A105 VanDerWaalsContact O-N 3.07Å; Q102-D106 PolarHBondContact NE2-OD1 3.27Å; Q102-D106 PolarHBondContact O-N 2.89Å |
| 103 | K | 97.6 | Very high | 96.9 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 38% | 0.383 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57 | -39.9 | 174.5 | -179 | -169.7 | 71.2 | -178.5 | 0 | 112.5 | S99 L100 Q107 | S99-K103 VanDerWaalsContact O-CB 3.32Å; S99-K103 WeakPolarHBondContact O-CB 3.18Å; S99-K103 PolarHBondContact O-N 2.91Å; L100-K103 WeakPolarHBondContact O-CB 3.32Å; L100-K103 PolarHBondContact O-N 2.92Å; K103-Q107 WeakPolarHBondContact O-CG 3.35Å; K103-Q107 PolarHBondContact O-N 2.93Å |
| 104 | L | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.3 | -38 | 176.9 | -71.3 | 171.8 | 0 | 0 | 0 | 111.8 | I75 A77 Y79 R85 E87 L100 V101 Q102 D106 Q107 | I75-L104 HydrophobicContact CG2-CD1 3.95Å; A77-L104 HydrophobicContact CB-CB 4.4Å; A77-L104 HydrophobicContact CB-CD1 4.19Å; A77-L104 HydrophobicContact CB-CD2 4.19Å; A77-L104 HydrophobicContact CB-CG 4.5Å; Y79-L104 WeakPolarHBondContact CE1-O 3.26Å; Y79-L104 PolarHBondContact OH-O 2.91Å; R85-L104 HydrophobicContact CG-CD2 4.14Å; E87-L104 HydrophobicContact CG-CD1 4.38Å; E87-L104 HydrophobicContact CG-CD2 4.22Å; L100-L104 HydrophobicContact CD2-CD1 3.75Å; L100-L104 HydrophobicContact CD2-CG 4.47Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; L100-L104 PolarHBondContact O-N 3.18Å; V101-L104 PolarHBondContact O-N 3.05Å; Q102-L104 VanDerWaalsContact C-N 3.28Å; Q102-L104 PolarHBondContact O-N 2.78Å; L104-D106 VanDerWaalsContact C-N 3.35Å; L104-Q107 PolarHBondContact O-N 3.09Å |
| 105 | A | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.8 | -32.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L26 F54 V101 Q102 Q107 | L26-A105 HydrophobicContact CD2-CB 3.92Å; F54-A105 HydrophobicContact CE2-CB 4.01Å; F54-A105 HydrophobicContact CZ-CB 4.07Å; V101-A105 PolarHBondContact O-N 3.32Å; Q102-A105 WeakPolarHBondContact O-CB 3.46Å; Q102-A105 PolarHBondContact O-N 3.16Å; Q102-A105 VanDerWaalsContact O-N 3.07Å; A105-Q107 VanDerWaalsContact C-N 3.34Å |
| 106 | D | 96.9 | Very high | 96.7 | Very high | 104 Ų | 104 | 59.3 Ų | 59.3 | 56% | 0.556 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -83.3 | -10.8 | 179.8 | -58.8 | -23.1 | 0 | 0 | 0 | 113 | Q102 L104 | Q102-D106 PolarHBondContact NE2-OD1 3.27Å; Q102-D106 PolarHBondContact O-N 2.89Å; L104-D106 VanDerWaalsContact C-N 3.35Å |
| 107 | Q | 96.7 | Very high | 96.6 | Very high | 52 Ų | 52 | 59.7 Ų | 59.7 | 24% | 0.243 | 30% | 0.298 | C | S | . | . | trans | -84.2 | 156.5 | 179.2 | -80.3 | 171.5 | 0.4 | 0 | 0 | 112.9 | Y79 R85 K103 L104 A105 | Y79-Q107 HydrophobicContact CE1-CB 4.13Å; Y79-Q107 VanDerWaalsContact CE1-O 3.29Å; Y79-Q107 WeakPolarHBondContact CE1-O 3.37Å; Y79-Q107 PolarHBondContact OH-OE1 3.48Å; R85-Q107 VanDerWaalsContact NH1-CD 3.3Å; R85-Q107 VanDerWaalsContact NH1-NE2 3.13Å; K103-Q107 WeakPolarHBondContact O-CG 3.35Å; K103-Q107 PolarHBondContact O-N 2.93Å; L104-Q107 PolarHBondContact O-N 3.09Å; A105-Q107 VanDerWaalsContact C-N 3.34Å | ||
| 108 | S | 96.2 | Very high | 96.6 | Very high | 41 Ų | 41 | 64.9 Ų | 64.9 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | trans | -94.3 | -7.4 | -178 | 59.1 | 0 | 0 | 0 | 0 | 115.3 | L110 | S108-L110 VanDerWaalsContact C-N 3.28Å; S108-L110 WeakPolarHBondContact OG-CG 3.33Å | ||
| 109 | G | 96 | Very high | 96.5 | Very high | 9 Ų | 9 | 67.3 Ų | 67.3 | 9% | 0.093 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 79.9 | 3.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y79 N81 A83 | Y79-G109 VanDerWaalsContact CD2-CA 3.43Å; N81-G109 PolarHBondContact ND2-O 2.98Å; A83-G109 WeakPolarHBondContact CB-O 3.33Å |
| 110 | L | 96.6 | Very high | 96.5 | Very high | 41 Ų | 41 | 68.1 Ų | 68.1 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | trans | -73.6 | 145.5 | 170.7 | -65.5 | 176.9 | 0 | 0 | 0 | 111 | T12 V14 S108 V112 | T12-L110 HydrophobicContact CG2-CD1 4.16Å; T12-L110 VanDerWaalsContact O-CD1 3.28Å; T12-L110 WeakPolarHBondContact O-CD1 3.24Å; V14-L110 HydrophobicContact CG2-CD2 4.12Å; V14-L110 HydrophobicContact CG2-CG 4.21Å; S108-L110 VanDerWaalsContact C-N 3.28Å; S108-L110 WeakPolarHBondContact OG-CG 3.33Å; L110-V112 PolarHBondContact O-N 2.87Å | ||
| 111 | D | 95.9 | Very high | 96.4 | Very high | 106 Ų | 106 | 71.5 Ų | 71.5 | 57% | 0.567 | 36% | 0.359 | S | S | * | . | trans | -52.8 | 132.9 | 179.6 | -64.6 | -19.6 | 0 | 0 | 0 | 112.5 | R9 I113 | R9-D111 PolarHBondContact NE-O 3.37Å; R9-D111 PolarHBondContact NH2-O 3.43Å; D111-I113 HydrophobicContact CB-CD1 4.09Å; D111-I113 HydrophobicContact CB-CG1 4.05Å; D111-I113 HydrophobicContact CB-CG2 4.16Å; D111-I113 PolarHBondContact O-N 3.35Å | ||
| 112 | V | 94.8 | Very high | 96.3 | Very high | 118 Ų | 118 | 76.5 Ų | 76.5 | 72% | 0.715 | 39% | 0.386 | S | S | * | . | trans | -83.3 | 72.6 | 175.6 | -171 | 0 | 0 | 0 | 0 | 109 | L110 | L110-V112 PolarHBondContact O-N 2.87Š| ||
| 113 | I | 94.7 | Very high | 96.2 | Very high | 50 Ų | 50 | 80.1 Ų | 80.1 | 26% | 0.256 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -125.1 | 173 | 178.8 | 61.6 | 179.1 | 0 | 0 | 0 | 110.1 | R9 D111 I115 | R9-I113 HydrophobicContact CB-CD1 4.04Å; R9-I113 HydrophobicContact CB-CG1 4.45Å; R9-I113 HydrophobicContact CG-CD1 3.96Å; R9-I113 HydrophobicContact CG-CG1 3.84Å; D111-I113 HydrophobicContact CB-CD1 4.09Å; D111-I113 HydrophobicContact CB-CG1 4.05Å; D111-I113 HydrophobicContact CB-CG2 4.16Å; D111-I113 PolarHBondContact O-N 3.35Å; I113-I115 PolarHBondContact O-N 2.91Å; I113-I115 VanDerWaalsContact O-N 3.14Å |
| 114 | R | 95.6 | Very high | 96.2 | Very high | 107 Ų | 107 | 81.1 Ų | 81.1 | 40% | 0.404 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 120.8 | -179.2 | -175.9 | 177.5 | 63.2 | 79.4 | -3.4 | 111.1 | G3 S8 R9 | G3-R114 PolarHBondContact O-NE 3.35Å; G3-R114 PolarHBondContact O-NH2 2.7Å; S8-R114 VanDerWaalsContact CA-O 3.3Å; S8-R114 WeakPolarHBondContact CA-O 3.37Å; S8-R114 VanDerWaalsContact CB-O 3.27Å; S8-R114 WeakPolarHBondContact CB-O 3.32Å; S8-R114 PolarHBondContact OG-NH2 3.43Å; R9-R114 PolarHBondContact N-O 3.42Å; R9-R114 VanDerWaalsContact N-O 3.12Å |
| 115 | I | 96.1 | Very high | 96.1 | Very high | 76 Ų | 76 | 83.9 Ų | 83.9 | 39% | 0.39 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 124.9 | 170.8 | -61.1 | 176.9 | 0 | 0 | 0 | 108.4 | R9 L11 I113 K117 | R9-I115 WeakPolarHBondContact O-CA 3.34Å; L11-I115 HydrophobicContact CB-CG2 3.99Å; I113-I115 PolarHBondContact O-N 2.91Å; I113-I115 VanDerWaalsContact O-N 3.14Å; I115-K117 WeakPolarHBondContact CG2-O 3.35Å |
| 116 | R | 95.5 | Very high | 96.1 | Very high | 133 Ų | 133 | 92 Ų | 92 | 50% | 0.502 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -74.3 | -42.4 | -175.8 | -66.1 | -173.9 | 177.4 | -171.6 | 3.1 | 113.6 | S8 R9 F10 | S8-R116 PolarHBondContact OG-NE 3.08Å; S8-R116 PolarHBondContact OG-NH2 3.46Å; R9-R116 PolarHBondContact O-N 3.05Å; F10-R116 HydrophobicContact CD1-CB 3.96Å; F10-R116 HydrophobicContact CE1-CB 3.86Å |
| 117 | K | 96.4 | Very high | 95.9 | Very high | 107 Ų | 107 | 96.5 Ų | 96.5 | 47% | 0.465 | 50% | 0.501 | S | S | . | . | trans | -129.6 | 128.2 | 178.9 | -65.1 | -177.1 | 178.3 | -178.7 | 0 | 107.9 | F10 I115 F119 | F10-K117 HydrophobicContact CD1-CB 4.49Å; F10-K117 HydrophobicContact CD1-CD 4.36Å; F10-K117 HydrophobicContact CD1-CG 4.3Å; F10-K117 HydrophobicContact CE1-CD 4.14Å; F10-K117 HydrophobicContact CE1-CG 4.2Å; I115-K117 WeakPolarHBondContact CG2-O 3.35Å; K117-F119 HydrophobicContact CD-CE2 4.21Å; K117-F119 HydrophobicContact CD-CZ 4.28Å; K117-F119 PolarHBondContact O-N 3.22Å; K117-F119 VanDerWaalsContact O-N 3.16Å | ||
| 118 | P | 96.3 | Very high | 95.6 | Very high | 110 Ų | 110 | 96.5 Ų | 96.5 | 71% | 0.714 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -77.4 | 9.5 | 179.7 | 34 | -36 | 0 | 0 | 0 | 112.9 | ||
| 119 | F | 96.3 | Very high | 95.5 | Very high | 134 Ų | 134 | 102.3 Ų | 102.3 | 59% | 0.588 | 54% | 0.538 | S | S | * | . | trans | -137.1 | 153.8 | 176.2 | 57.7 | -95.6 | 0 | 0 | 0 | 109.3 | K117 | K117-F119 HydrophobicContact CD-CE2 4.21Å; K117-F119 HydrophobicContact CD-CZ 4.28Å; K117-F119 PolarHBondContact O-N 3.22Å; K117-F119 VanDerWaalsContact O-N 3.16Å | ||
| 120 | H | 96.5 | Very high | 95.3 | Very high | 92 Ų | 92 | 111.4 Ų | 111.4 | 43% | 0.426 | 57% | 0.57 | S | S | . | * | trans | -145.8 | 138.8 | 174.4 | 168.7 | 58.7 | 0 | 0 | 0 | 108.1 | L11 D122 | L11-H120 HydrophobicContact CB-CB 4.39Å; L11-H120 HydrophobicContact CD2-CB 4.13Å; L11-H120 VanDerWaalsContact O-CB 3.26Å; L11-H120 WeakPolarHBondContact O-CB 3.02Å; H120-D122 IonicContact CE1-OD1 3.07Å; H120-D122 PolarHBondContact CE1-OD1 3.08Å; H120-D122 VanDerWaalsContact CE1-OD1 3.22Å; H120-D122 IonicContact NE2-OD1 3.6Å; H120-D122 PolarHBondContact NE2-OD1 3.03Å | ||
| 121 | T | 96.3 | Very high | 94.9 | Very high | 81 Ų | 81 | 113.3 Ų | 113.3 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | trans | -147.9 | 139.4 | 173.6 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | N123 P124 | T121-N123 VanDerWaalsContact C-N 3.32Å; T121-N123 PolarHBondContact OG1-N 3.24Å; T121-N123 PolarHBondContact OG1-O 2.95Å; T121-P124 HydrophobicContact CG2-CB 4.13Å | ||
| 122 | D | 95.2 | Very high | 94.5 | Very high | 107 Ų | 107 | 113.3 Ų | 113.3 | 57% | 0.572 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -82.7 | -17.2 | 172.8 | -63 | -40.4 | 0 | 0 | 0 | 111.6 | H120 P124 | H120-D122 IonicContact CE1-OD1 3.07Å; H120-D122 PolarHBondContact CE1-OD1 3.08Å; H120-D122 VanDerWaalsContact CE1-OD1 3.22Å; H120-D122 IonicContact NE2-OD1 3.6Å; H120-D122 PolarHBondContact NE2-OD1 3.03Å; D122-P124 WeakPolarHBondContact O-CD 3.47Å |
| 123 | N | 96.3 | Very high | 93.7 | Very high | 127 Ų | 127 | 111 Ų | 111 | 68% | 0.679 | 58% | 0.578 | S | S | * | * | trans | -123.5 | 79.3 | -177 | -61 | 73.9 | 0 | 0 | 0 | 109.9 | T121 S125 | T121-N123 VanDerWaalsContact C-N 3.32Å; T121-N123 PolarHBondContact OG1-N 3.24Å; T121-N123 PolarHBondContact OG1-O 2.95Å; N123-S125 PolarHBondContact O-N 2.84Å | ||
| 124 | P | 96.3 | Very high | 92.2 | Very high | 109 Ų | 109 | 113.5 Ų | 113.5 | 71% | 0.708 | 60% | 0.598 | S | S | * | * | trans | -74.8 | -20.3 | -173.9 | 29 | -36.1 | 0 | 0 | 0 | 114.9 | T121 D122 | T121-P124 HydrophobicContact CG2-CB 4.13Å; D122-P124 WeakPolarHBondContact O-CD 3.47Å | ||
| 125 | S | 96.4 | Very high | 90.7 | Very high | 57 Ų | 57 | 114.6 Ų | 114.6 | 40% | 0.399 | 62% | 0.616 | S | S | . | * | trans | -132.5 | 143.7 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | N123 G128 | N123-S125 PolarHBondContact O-N 2.84Å; S125-G128 PolarHBondContact OG-N 3.36Å; S125-G128 PolarHBondContact OG-O 3.03Å | ||
| 126 | I | 96.6 | Very high | 89.1 | Confident | 171 Ų | 171 | 117.8 Ų | 117.8 | 88% | 0.877 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -102.5 | -36.7 | 177.1 | -61.1 | 171.8 | 0 | 0 | 0 | 110.9 | ||
| 127 | Q | 94.3 | Very high | 87.4 | Confident | 198 Ų | 198 | 114.2 Ų | 114.2 | 93% | 0.925 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -96.6 | 5.3 | -175.4 | -66.6 | 177.5 | -18.3 | 0 | 0 | 113.5 | ||
| 128 | G | 89.7 | Confident | 85.7 | Confident | 53 Ų | 53 | 117.2 Ų | 117.2 | 55% | 0.546 | 66% | 0.658 | S | S | . | * | trans | 104.1 | 144.7 | -172 | 0 | 0 | 0 | 0 | 0 | 111.7 | S125 | S125-G128 PolarHBondContact OG-N 3.36Å; S125-G128 PolarHBondContact OG-O 3.03Å | ||
| 129 | Q | 93.2 | Very high | 83.9 | Confident | 163 Ų | 163 | 116 Ų | 116 | 76% | 0.762 | 65% | 0.651 | S | S | * | * | trans | -73.5 | 142 | 175.5 | -177.2 | 170.6 | -11.1 | 0 | 0 | 109.3 | T131 | Q129-T131 PolarHBondContact O-N 3.25Š| ||
| 130 | W | 92 | Very high | 82.3 | Confident | 200 Ų | 200 | 115.8 Ų | 115.8 | 76% | 0.758 | 67% | 0.666 | S | S | * | * | trans | -57 | 126.9 | 175.3 | -178.5 | 89.6 | 0 | 0 | 0 | 110.6 | P132 | W130-P132 HydrophobicContact CH2-CB 4.1Å; W130-P132 HydrophobicContact CH2-CG 3.94Å; W130-P132 HydrophobicContact CZ3-CB 4.44Å; W130-P132 HydrophobicContact CZ3-CG 3.8Å | ||
| 131 | T | 87.7 | Confident | 80.6 | Confident | 81 Ų | 81 | 115.6 Ų | 115.6 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | trans | -118.4 | 146.7 | 173.2 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | Q129 S133 | Q129-T131 PolarHBondContact O-N 3.25Å; T131-S133 PolarHBondContact O-N 3.43Å; T131-S133 PolarHBondContact OG1-OG 2.79Å | ||
| 132 | P | 88 | Confident | 78.9 | Confident | 106 Ų | 106 | 115.9 Ų | 115.9 | 69% | 0.688 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -64.1 | -6.7 | 178.9 | -22.8 | 32.5 | 0 | 0 | 0 | 115.8 | W130 | W130-P132 HydrophobicContact CH2-CB 4.1Å; W130-P132 HydrophobicContact CH2-CG 3.94Å; W130-P132 HydrophobicContact CZ3-CB 4.44Å; W130-P132 HydrophobicContact CZ3-CG 3.8Å |
| 133 | S | 79.4 | Confident | 77.1 | Confident | 69 Ų | 69 | 115.4 Ų | 115.4 | 48% | 0.483 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -53 | 133.7 | 175.5 | 51.6 | 0 | 0 | 0 | 0 | 109.8 | T131 T135 | T131-S133 PolarHBondContact O-N 3.43Å; T131-S133 PolarHBondContact OG1-OG 2.79Å; S133-T135 PolarHBondContact O-N 2.98Å |
| 134 | P | 61.6 | Low | 75.6 | Confident | 103 Ų | 103 | 112 Ų | 112 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | trans | -55.2 | 115.5 | 178.1 | -20.9 | 30.6 | 0 | 0 | 0 | 109.1 | N136 | P134-N136 PolarHBondContact O-N 3.06Š| ||
| 135 | T | 64 | Low | 74 | Confident | 129 Ų | 129 | 112.5 Ų | 112.5 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -57.4 | -15.4 | 170.6 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | S133 | S133-T135 PolarHBondContact O-N 2.98Š|
| 136 | N | 63.8 | Low | 72.3 | Confident | 144 Ų | 144 | 117.4 Ų | 117.4 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -112.7 | 98.8 | -178.2 | -54.4 | -22.5 | 0 | 0 | 0 | 108.9 | P134 | P134-N136 PolarHBondContact O-N 3.06Š|
| 137 | G | 60.1 | Low | 70.5 | Confident | 57 Ų | 57 | 117.1 Ų | 117.1 | 59% | 0.588 | 71% | 0.709 | S | S | * | * | trans | 77.4 | 102 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 138 | L | 60.8 | Low | 68.6 | Low | 170 Ų | 170 | 111.7 Ų | 111.7 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | trans | -58.5 | 128.7 | 149.8 | -84.2 | 139.7 | 0 | 0 | 0 | 107.2 | S140 | L138-S140 PolarHBondContact O-N 3.48Š| ||
| 139 | P | 58.2 | Low | 66.4 | Low | 85 Ų | 85 | 112.1 Ų | 112.1 | 55% | 0.552 | 70% | 0.698 | S | S | * | * | trans | -57.4 | 131.1 | 170.5 | 24.7 | -31.3 | 0 | 0 | 0 | 107.8 | T141 | P139-T141 WeakPolarHBondContact CB-O 3.36Å; P139-T141 CarbonylContact O-C 3.53Å; P139-T141 PolarHBondContact O-N 2.93Å | ||
| 140 | S | 62.6 | Low | 64.1 | Low | 129 Ų | 129 | 111.3 Ų | 111.3 | 90% | 0.902 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -57.2 | -18.4 | -177.4 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | L138 | L138-S140 PolarHBondContact O-N 3.48Š|
| 141 | T | 60.8 | Low | 61.7 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 55% | 0.546 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -114.3 | 125.8 | 169.4 | 44.6 | 0 | 0 | 0 | 0 | 106.8 | P139 C143 | P139-T141 WeakPolarHBondContact CB-O 3.36Å; P139-T141 CarbonylContact O-C 3.53Å; P139-T141 PolarHBondContact O-N 2.93Å; T141-C143 PolarHBondContact O-N 3.27Å |
| 142 | G | 60.7 | Low | 59.7 | Low | 87 Ų | 87 | 111.6 Ų | 111.6 | 90% | 0.897 | 71% | 0.708 | S | S | * | * | trans | -64.8 | 25.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G144 | G142-G144 PolarHBondContact O-N 3.18Š| ||
| 143 | C | 57.5 | Low | 57.7 | Low | 97 Ų | 97 | 113.2 Ų | 113.2 | 66% | 0.655 | 71% | 0.707 | S | S | * | * | trans | -77.3 | 111.4 | 172.6 | -71.7 | 0 | 0 | 0 | 0 | 107.9 | T141 | T141-C143 PolarHBondContact O-N 3.27Š| ||
| 144 | G | 63.5 | Low | 56.2 | Low | 55 Ų | 55 | 117.5 Ų | 117.5 | 57% | 0.567 | 72% | 0.724 | S | S | * | * | trans | -54.5 | 162.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G142 E146 | G142-G144 PolarHBondContact O-N 3.18Å; G144-E146 PolarHBondContact O-N 3.07Å | ||
| 145 | P | 63.4 | Low | 55.1 | Low | 119 Ų | 119 | 121.7 Ų | 121.7 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -51.3 | 119.3 | 179 | 22.4 | -32.4 | 0 | 0 | 0 | 108.9 | N147 | P145-N147 PolarHBondContact O-N 3.26Š| ||
| 146 | E | 60.7 | Low | 54 | Low | 161 Ų | 161 | 121.8 Ų | 121.8 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | trans | -59.1 | 114.7 | 171.2 | -164.9 | -171 | 161.2 | 0 | 0 | 106.1 | G144 S148 | G144-E146 PolarHBondContact O-N 3.07Å; E146-S148 VanDerWaalsContact CD-OG 3.3Å; E146-S148 WeakPolarHBondContact CG-OG 3.41Å; E146-S148 PolarHBondContact O-N 3.26Å; E146-S148 PolarHBondContact OE1-OG 3Å | ||
| 147 | N | 58.8 | Low | 53.3 | Low | 165 Ų | 165 | 122.3 Ų | 122.3 | 88% | 0.882 | 73% | 0.726 | S | S | * | * | trans | -72.5 | 63.8 | 174 | -75.1 | -31.2 | 0 | 0 | 0 | 108.9 | P145 | P145-N147 PolarHBondContact O-N 3.26Š| ||
| 148 | S | 53.6 | Low | 52.6 | Low | 84 Ų | 84 | 128.8 Ų | 128.8 | 59% | 0.587 | 74% | 0.74 | S | S | * | * | trans | -114.4 | 62 | 176.3 | 52 | 0 | 0 | 0 | 0 | 109.1 | E146 | E146-S148 VanDerWaalsContact CD-OG 3.3Å; E146-S148 WeakPolarHBondContact CG-OG 3.41Å; E146-S148 PolarHBondContact O-N 3.26Å; E146-S148 PolarHBondContact OE1-OG 3Å | ||
| 149 | G | 44.5 | Very low | 51.7 | Low | 62 Ų | 62 | 126.2 Ų | 126.2 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -177.3 | 88.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 150 | I | 44.1 | Very low | 51 | Low | 146 Ų | 146 | 131.9 Ų | 131.9 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | 67.4 | 93.2 | 159 | -43.9 | 168.1 | 0 | 0 | 0 | 113.7 | L152 | I150-L152 HydrophobicContact CG2-CD1 4.29Å; I150-L152 HydrophobicContact CG2-CG 4.15Å; I150-L152 PolarHBondContact O-N 2.96Å | ||
| 151 | L | 41.1 | Very low | 50.2 | Low | 149 Ų | 149 | 134.2 Ų | 134.2 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | -58.9 | 85.6 | 153.5 | -173.9 | 80.4 | 0 | 0 | 0 | 108.2 | Q153 | L151-Q153 HydrophobicContact CD2-CG 3.74Å; L151-Q153 HydrophobicContact CG-CG 3.99Å; L151-Q153 PolarHBondContact O-N 2.71Å | ||
| 152 | L | 45.8 | Very low | 49.4 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | -69.1 | 89.2 | 159.1 | -101 | 145.6 | 0 | 0 | 0 | 106 | I150 L154 | I150-L152 HydrophobicContact CG2-CD1 4.29Å; I150-L152 HydrophobicContact CG2-CG 4.15Å; I150-L152 PolarHBondContact O-N 2.96Å; L152-L154 PolarHBondContact O-N 3.26Å | ||
| 153 | Q | 45.8 | Very low | 48.6 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 66% | 0.659 | 76% | 0.756 | S | S | * | * | trans | -60.1 | 87.3 | 159.8 | -78.9 | -158 | -15.6 | 0 | 0 | 107.7 | L151 R155 | L151-Q153 HydrophobicContact CD2-CG 3.74Å; L151-Q153 HydrophobicContact CG-CG 3.99Å; L151-Q153 PolarHBondContact O-N 2.71Å; Q153-R155 PolarHBondContact O-N 3.37Å | ||
| 154 | L | 47.8 | Very low | 48 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -71 | 81.4 | 156 | -80.5 | 164.3 | 0 | 0 | 0 | 106.9 | L152 C156 | L152-L154 PolarHBondContact O-N 3.26Å; L154-C156 VanDerWaalsContact C-N 3.29Å; L154-C156 PolarHBondContact O-N 2.72Å | ||
| 155 | R | 39.9 | Very low | 47.2 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | trans | -71.9 | 87.9 | 169.8 | -156 | 178 | -160.3 | -177 | 7.6 | 107 | Q153 K157 | Q153-R155 PolarHBondContact O-N 3.37Å; R155-K157 PolarHBondContact O-N 3.25Å | ||
| 156 | C | 41.4 | Very low | 46.2 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -67.3 | 88.5 | 164.8 | -105.6 | 0 | 0 | 0 | 0 | 108.5 | L154 H158 | L154-C156 VanDerWaalsContact C-N 3.29Å; L154-C156 PolarHBondContact O-N 2.72Å; C156-H158 PolarHBondContact O-N 2.97Å | ||
| 157 | K | 47.4 | Very low | 45.3 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -78.4 | 102.6 | 158.9 | -81.4 | -166.8 | 173.4 | -173.8 | 0 | 107.4 | R155 | R155-K157 PolarHBondContact O-N 3.25Š| ||
| 158 | H | 46.3 | Very low | 44.4 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 89% | 0.889 | 77% | 0.769 | S | S | * | * | trans | -139.6 | 99.3 | 147 | -94.4 | 80.7 | 0 | 0 | 0 | 108.3 | C156 | C156-H158 PolarHBondContact O-N 2.97Š| ||
| 159 | S | 40.6 | Very low | 44.1 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -83.1 | 120.2 | 165.7 | 174.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 160 | K | 44.4 | Very low | 44 | Very low | 205 Ų | 205 | 152 Ų | 152 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | -173.6 | 122.2 | 132.2 | -124 | 170.3 | 175.4 | 175.8 | 0 | 110.7 | ||||
| 161 | E | 47 | Very low | 44 | Very low | 178 Ų | 178 | 155.2 Ų | 155.2 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -70.4 | -163.6 | 173.1 | -58.9 | -164.6 | 139.2 | 0 | 0 | 113.3 | ||||
| 162 | P | 43.9 | Very low | 44.5 | Very low | 121 Ų | 121 | 156.1 Ų | 156.1 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | -133.5 | -173.9 | -63.8 | 35.5 | -17.1 | 0 | 0 | 0 | 111.3 | |||||
| 163 | G | 42.6 | Very low | 44.3 | Very low | 77 Ų | 77 | 153.4 Ų | 153.4 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 123.8 | 141.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 164 | A | 45.7 | Very low | 44.4 | Very low | 86 Ų | 86 | 151.6 Ų | 151.6 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | cis | -170 | 171 | -4.9 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 165 | L | 47.1 | Very low | 44.4 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | 80.2 | 132 | 167.5 | -48.3 | 167.6 | 0 | 0 | 0 | 114.8 | ||||
| 166 | D | 41.8 | Very low | 44.6 | Very low | 144 Ų | 144 | 148.9 Ų | 148.9 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | cis | -160 | 155.5 | 3.3 | -107.2 | -30.4 | 0 | 0 | 0 | 110.5 | ||||
| 167 | R | 42.1 | Very low | 44.9 | Very low | 224 Ų | 224 | 146 Ų | 146 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | -90 | 141.8 | 172 | -68.8 | 172.7 | 169.8 | 159.6 | -4.9 | 109.9 | ||||
| 168 | E | 40.2 | Very low | 44.9 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -152.7 | 108.6 | 151 | -152.9 | 80.7 | -121 | 0 | 0 | 104.4 | ||||
| 169 | R | 45.8 | Very low | 45.2 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | 50 | 146.1 | 77.4 | -67 | -170 | -166.7 | -177 | 5.5 | 111.7 | |||||
| 170 | D | 43 | Very low | 45.9 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | cis | -171.9 | 155.5 | -15 | -113.4 | -49.9 | 0 | 0 | 0 | 102.3 | ||||
| 171 | R | 45.4 | Very low | 46.3 | Very low | 215 Ų | 215 | 145 Ų | 145 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | 20.6 | 132.6 | 145.8 | -52.7 | 178.7 | -168.9 | -158.5 | -2.1 | 119.8 | ||||
| 172 | I | 49.7 | Very low | 46.8 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | 155.4 | 125.3 | 119.2 | -76.9 | 154.6 | 0 | 0 | 0 | 108.4 | |||||
| 173 | G | 42.5 | Very low | 47.4 | Very low | 80 Ų | 80 | 148.3 Ų | 148.3 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -180 | 61.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 174 | S | 47.8 | Very low | 47.6 | Very low | 102 Ų | 102 | 151.9 Ų | 151.9 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | -72 | 160.3 | 171.7 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 175 | S | 48.1 | Very low | 47.7 | Very low | 96 Ų | 96 | 155.4 Ų | 155.4 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | 70.1 | 113.3 | 160.3 | 65.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 176 | F | 45 | Very low | 47.7 | Very low | 197 Ų | 197 | 155.5 Ų | 155.5 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | -165.9 | 112.1 | 103.1 | -106.5 | -81.2 | 0 | 0 | 0 | 108.8 | |||||
| 177 | G | 46.3 | Very low | 48.1 | Very low | 70 Ų | 70 | 156.2 Ų | 156.2 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | -85.5 | 143.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 178 | F | 48.2 | Very low | 48.5 | Very low | 202 Ų | 202 | 151.9 Ų | 151.9 | 89% | 0.886 | 81% | 0.814 | S | S | * | * | trans | -135.1 | 118.3 | 159.2 | -139.1 | -93 | 0 | 0 | 0 | 107.8 | ||||
| 179 | Q | 51.3 | Low | 49 | Very low | 172 Ų | 172 | 150.9 Ų | 150.9 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -110 | 116.9 | 177.5 | -168.1 | 156.8 | -19.7 | 0 | 0 | 105 | ||||
| 180 | A | 55.9 | Low | 49.2 | Very low | 94 Ų | 94 | 147.4 Ų | 147.4 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -101.2 | 105.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 181 | Q | 53.3 | Low | 49.7 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | trans | -79.2 | 133.7 | 156.5 | -74.8 | 177.3 | -89.1 | 0 | 0 | 107.5 | ||||
| 182 | A | 57.7 | Low | 50.1 | Low | 99 Ų | 99 | 144.2 Ų | 144.2 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -91 | 127.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 183 | E | 55.4 | Low | 50.1 | Low | 269 Ų | 269 | 142 Ų | 142 | 100% | 1.257 | 84% | 0.835 | S | S | * | * | trans | -73.6 | 0 | 147.1 | -78 | -175 | 138.5 | 0 | 0 | 109.7 |
Retrieved 183 of 183 residues in 291.9 ms
(Link to these results)