| 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 | 36.6 | Very low | 59.1 | Low | 248 Ų | 248 | 114.5 Ų | 114.5 | 100% | 1.222 | 68% | 0.682 | S | S | * | * | 0 | 150.3 | 0 | -66.3 | 176.7 | 178.7 | 0 | 0 | 108.1 | |||||
| 2 | G | 41.8 | Very low | 61.3 | Low | 72 Ų | 72 | 108.4 Ų | 108.4 | 74% | 0.742 | 66% | 0.661 | S | S | * | * | trans | 68.5 | 39.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q4 | G2-Q4 PolarHBondContact O-N 3.25Å; G2-Q4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | N | 46.6 | Very low | 63.2 | Low | 153 Ų | 153 | 103.4 Ų | 103.4 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -72.2 | 100.6 | 163.7 | -164.7 | 31.6 | 0 | 0 | 0 | 107.6 | Q5 | N3-Q5 PolarHBondContact O-N 3.03Š| ||
| 4 | Q | 47.4 | Very low | 65 | Low | 159 Ų | 159 | 99.1 Ų | 99.1 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | trans | -71.1 | 104.2 | -177.8 | -64.3 | -170.3 | 36 | 0 | 0 | 108.9 | G2 G6 | G2-Q4 PolarHBondContact O-N 3.25Å; G2-Q4 VanDerWaalsContact O-N 3.09Å; Q4-G6 PolarHBondContact O-N 3.28Å | ||
| 5 | Q | 51.4 | Low | 66.7 | Low | 184 Ų | 184 | 96.7 Ų | 96.7 | 86% | 0.86 | 60% | 0.596 | S | S | * | * | trans | -69.1 | 100.4 | 169 | -70.1 | 177 | -36.3 | 0 | 0 | 107.5 | N3 | N3-Q5 PolarHBondContact O-N 3.03Š| ||
| 6 | G | 58.2 | Low | 68.4 | Low | 37 Ų | 37 | 90.7 Ų | 90.7 | 38% | 0.381 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -54 | 154.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q4 Q77 | Q4-G6 PolarHBondContact O-N 3.28Å; G6-Q77 WeakPolarHBondContact CA-O 3.36Å |
| 7 | M | 63.6 | Low | 69.9 | Low | 106 Ų | 106 | 85.9 Ų | 85.9 | 52% | 0.522 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 136.7 | -171.9 | -85.3 | -153.2 | -67.8 | 0 | 0 | 112 | I9 V79 | M7-I9 PolarHBondContact O-N 2.9Å; M7-I9 VanDerWaalsContact O-N 3.12Å; M7-V79 HydrophobicContact CB-CB 4.24Å; M7-V79 HydrophobicContact CB-CG2 4.28Å; M7-V79 WeakPolarHBondContact CE-O 3.5Å; M7-V79 WeakPolarHBondContact O-CG2 3.47Å |
| 8 | P | 72.4 | Confident | 71.1 | Confident | 120 Ų | 120 | 81.9 Ų | 81.9 | 78% | 0.779 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 120 | -175.3 | 25.4 | -34.3 | 0 | 0 | 0 | 109.7 | ||
| 9 | I | 79.1 | Confident | 72.2 | Confident | 30 Ų | 30 | 77.6 Ų | 77.6 | 15% | 0.154 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 123.2 | -167.8 | -45.3 | -178.3 | 0 | 0 | 0 | 108.1 | M7 G11 G12 V41 R47 Y72 V79 F105 | M7-I9 PolarHBondContact O-N 2.9Å; M7-I9 VanDerWaalsContact O-N 3.12Å; I9-G11 PolarHBondContact O-N 2.77Å; I9-G12 PolarHBondContact O-N 3.01Å; I9-V41 HydrophobicContact CG2-CB 3.93Å; I9-V41 HydrophobicContact CG2-CG1 4.13Å; I9-V41 HydrophobicContact CG2-CG2 3.7Å; I9-R47 VanDerWaalsContact CG2-NH1 3.29Å; I9-Y72 HydrophobicContact CD1-CD2 4.39Å; I9-V79 HydrophobicContact CG1-CG2 3.95Å; I9-F105 HydrophobicContact CD1-CD2 4.49Å; I9-F105 HydrophobicContact CD1-CE1 4.32Å; I9-F105 HydrophobicContact CD1-CE2 3.29Å; I9-F105 HydrophobicContact CD1-CZ 3.19Å |
| 10 | P | 75 | Confident | 73 | Confident | 72 Ų | 72 | 76.4 Ų | 76.4 | 47% | 0.468 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 124.6 | -173.8 | -29.2 | 35.7 | 0 | 0 | 0 | 111.8 | R47 T70 | P10-R47 VanDerWaalsContact O-CD 3.26Å; P10-R47 WeakPolarHBondContact O-CD 3.21Å; P10-R47 PolarHBondContact O-NH1 2.76Å; P10-T70 HydrophobicContact CG-CG2 4.45Å |
| 11 | G | 77.8 | Confident | 73.7 | Confident | 79 Ų | 79 | 79.5 Ų | 79.5 | 81% | 0.814 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | -13.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | I9 | I9-G11 PolarHBondContact O-N 2.77Š|
| 12 | G | 85.2 | Confident | 76.4 | Confident | 41 Ų | 41 | 69.2 Ų | 69.2 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | trans | 77.1 | -176.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I9 R47 | I9-G12 PolarHBondContact O-N 3.01Å; G12-R47 PolarHBondContact O-NH1 2.92Å; G12-R47 PolarHBondContact O-NH2 3.47Å | ||
| 13 | G | 86.7 | Confident | 78.8 | Confident | 43 Ų | 43 | 68.4 Ų | 68.4 | 44% | 0.443 | 40% | 0.397 | S | S | . | . | trans | 77.5 | 150.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E15 R47 | G13-E15 WeakPolarHBondContact CA-OE2 3.36Å; G13-R47 PolarHBondContact O-NH2 2.81Å | ||
| 14 | T | 88.5 | Confident | 81 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 27% | 0.27 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -97.8 | 12.6 | -179.6 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | S104 F105 E106 | T14-S104 WeakPolarHBondContact CB-OG 3.3Å; T14-S104 CarbonylContact O-C 3.58Å; T14-S104 VanDerWaalsContact O-CA 3.24Å; T14-S104 WeakPolarHBondContact O-CA 3.42Å; T14-S104 PolarHBondContact O-OG 2.77Å; T14-S104 PolarHBondContact OG1-OG 3Å; T14-F105 VanDerWaalsContact CA-CZ 3.41Å; T14-F105 HydrophobicContact CG2-CE2 4.29Å; T14-F105 WeakPolarHBondContact O-CD1 3.35Å; T14-F105 WeakPolarHBondContact O-CE1 3.47Å; T14-F105 WeakPolarHBondContact O-CG 3.16Å; T14-F105 VanDerWaalsContact O-CZ 3.22Å; T14-F105 WeakPolarHBondContact O-CZ 3.46Å; T14-F105 PolarHBondContact O-N 2.92Å; T14-E106 HydrophobicContact CG2-CB 4.2Å; T14-E106 WeakPolarHBondContact CG2-OE2 3.29Å; T14-E106 PolarHBondContact OG1-OE2 3.38Å |
| 15 | E | 90.9 | Very high | 83.2 | Confident | 63 Ų | 63 | 66.7 Ų | 66.7 | 29% | 0.294 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 149.6 | -173.6 | -52.4 | 79.9 | -176.2 | 0 | 0 | 114.1 | G13 R47 F102 | G13-E15 WeakPolarHBondContact CA-OE2 3.36Å; E15-R47 PolarHBondContact O-NH2 3.25Å; E15-F102 HydrophobicContact CB-CE2 4.04Å; E15-F102 HydrophobicContact CB-CZ 3.62Å; E15-F102 HydrophobicContact CG-CZ 4.05Å |
| 16 | G | 93.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178 | -178.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H18 I40 C103 | G16-H18 PolarHBondContact O-N 3.24Å; G16-I40 WeakPolarHBondContact CA-O 3.3Å; G16-C103 PolarHBondContact N-O 2.83Å; G16-C103 PolarHBondContact O-N 3.15Å |
| 17 | Y | 93.7 | Very high | 87 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 4% | 0.039 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 104.1 | 174.9 | -73.6 | -83.7 | 0 | 0 | 0 | 111.3 | V19 F39 I40 L48 Q50 D51 N52 L55 I100 R101 F102 | Y17-V19 PolarHBondContact O-N 3.15Å; Y17-F39 CarbonylContact O-C 3.55Å; Y17-F39 WeakPolarHBondContact O-CA 3.42Å; Y17-I40 PolarHBondContact N-O 3.1Å; Y17-I40 PolarHBondContact O-N 2.87Å; Y17-L48 HydrophobicContact CD2-CB 3.86Å; Y17-L48 HydrophobicContact CD2-CD1 3.84Å; Y17-L48 HydrophobicContact CD2-CG 4.34Å; Y17-L48 HydrophobicContact CE2-CB 3.94Å; Y17-L48 HydrophobicContact CE2-CD1 4.29Å; Y17-L48 HydrophobicContact CE2-CD2 4.35Å; Y17-L48 HydrophobicContact CE2-CG 4.42Å; Y17-Q50 PolarHBondContact OH-O 3.3Å; Y17-D51 WeakPolarHBondContact OH-CA 3.43Å; Y17-D51 PolarHBondContact OH-OD1 3.3Å; Y17-N52 PolarHBondContact OH-N 2.9Å; Y17-N52 PolarHBondContact OH-O 2.92Å; Y17-L55 HydrophobicContact CD1-CD2 4.32Å; Y17-L55 HydrophobicContact CD2-CD2 3.68Å; Y17-L55 HydrophobicContact CE2-CB 4.21Å; Y17-L55 HydrophobicContact CE2-CD2 4.09Å; Y17-L55 HydrophobicContact CG-CD2 3.79Å; Y17-I100 HydrophobicContact CD1-CB 4.46Å; Y17-I100 HydrophobicContact CD1-CD1 3.89Å; Y17-I100 HydrophobicContact CD1-CG1 4.42Å; Y17-I100 HydrophobicContact CG-CD1 4.22Å; Y17-R101 CarbonylContact C-O 3.52Å; Y17-R101 WeakPolarHBondContact CA-O 3.42Å; Y17-F102 HydrophobicContact CD1-CB 4.2Å; Y17-F102 HydrophobicContact CE1-CB 3.92Å; Y17-F102 HydrophobicContact CE1-CD2 4.33Å; Y17-F102 HydrophobicContact CE2-CD2 4.24Å |
| 18 | H | 91.4 | Very high | 88.5 | Confident | 13 Ų | 13 | 51.4 Ų | 51.4 | 6% | 0.06 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 124.2 | 174.7 | -172.8 | -162.5 | 0 | 0 | 0 | 111 | G16 L20 F36 F39 I100 R101 C103 | G16-H18 PolarHBondContact O-N 3.24Å; H18-L20 PolarHBondContact O-N 3.24Å; H18-F36 PolarHBondContact CD2-O 3.4Å; H18-F36 AromaticContact CE1-CD2 3.47Å; H18-F36 VanDerWaalsContact CE1-CD2 3.47Å; H18-F36 WeakPolarHBondContact CE1-CD2 3.2Å; H18-F36 AromaticContact CE1-CE2 3.35Å; H18-F36 WeakPolarHBondContact CE1-CE2 3.38Å; H18-F36 AromaticContact NE2-CD2 3.55Å; H18-F36 AromaticContact NE2-CE2 3.77Å; H18-F36 AromaticContact NE2-CG 3.86Å; H18-F36 PolarHBondContact NE2-O 3.44Å; H18-F39 HydrophobicContact CB-CD1 3.7Å; H18-F39 HydrophobicContact CB-CE1 3.52Å; H18-F39 HydrophobicContact CB-CZ 4.23Å; H18-F39 AromaticContact CD2-CD1 3.99Å; H18-F39 AromaticContact CD2-CE1 3.47Å; H18-F39 VanDerWaalsContact CD2-CE1 3.47Å; H18-F39 WeakPolarHBondContact CD2-CE1 3.28Å; H18-F39 AromaticContact CD2-CE2 3.59Å; H18-F39 AromaticContact CD2-CZ 3.23Å; H18-F39 WeakPolarHBondContact CD2-CZ 3.13Å; H18-F39 AromaticContact CE1-CZ 3.98Å; H18-F39 AromaticContact CG-CE1 3.47Å; H18-F39 VanDerWaalsContact CG-CE1 3.47Å; H18-F39 AromaticContact CG-CZ 3.67Å; H18-F39 AromaticContact NE2-CE2 3.86Å; H18-F39 AromaticContact NE2-CZ 3.46Å; H18-F39 WeakPolarHBondContact NE2-CZ 3.34Å; H18-I100 WeakPolarHBondContact O-CA 3.44Å; H18-R101 WeakPolarHBondContact CB-O 3.36Å; H18-R101 PolarHBondContact N-O 2.74Å; H18-R101 PolarHBondContact O-N 2.88Å; H18-R101 VanDerWaalsContact O-N 3.07Å; H18-C103 HydrophobicContact CB-CB 4.08Å |
| 19 | V | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 103.5 | 177.9 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | Y17 V22 L33 F36 D38 I40 V98 I100 | Y17-V19 PolarHBondContact O-N 3.15Å; V19-V22 HydrophobicContact CG1-CG2 3.67Å; V19-L33 HydrophobicContact CG2-CD1 4.42Å; V19-L33 HydrophobicContact CG2-CD2 4.48Å; V19-F36 WeakPolarHBondContact O-CA 3.26Å; V19-F36 PolarHBondContact O-N 2.92Å; V19-D38 HydrophobicContact CB-CB 4.33Å; V19-D38 HydrophobicContact CG2-CB 4.05Å; V19-D38 PolarHBondContact N-O 3.2Å; V19-I40 HydrophobicContact CG2-CD1 4.08Å; V19-I40 HydrophobicContact CG2-CG1 3.97Å; V19-V98 HydrophobicContact CG1-CB 4.48Å; V19-I100 HydrophobicContact CG2-CG2 4.32Å |
| 20 | L | 87.7 | Confident | 90.3 | Very high | 53 Ų | 53 | 55.9 Ų | 55.9 | 28% | 0.277 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -36.9 | -178.9 | -60.4 | -179.9 | 0 | 0 | 0 | 112.5 | H18 S99 R101 | H18-L20 PolarHBondContact O-N 3.24Å; L20-S99 PolarHBondContact N-O 3.06Å; L20-R101 HydrophobicContact CD1-CB 3.85Å; L20-R101 HydrophobicContact CG-CB 4.34Å |
| 21 | R | 88.4 | Confident | 91.3 | Very high | 143 Ų | 143 | 52.9 Ų | 52.9 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 147.3 | -177.6 | -176 | 174.5 | 177.2 | 166 | -0.4 | 110.7 | V98 S99 | R21-V98 CarbonylContact O-C 3.58Å; R21-V98 VanDerWaalsContact O-CA 3.26Å; R21-V98 WeakPolarHBondContact O-CA 3.45Å; R21-S99 PolarHBondContact N-O 2.98Å; R21-S99 PolarHBondContact O-N 2.89Å |
| 22 | V | 93 | Very high | 92 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.4 | 171.9 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | V19 Q29 L33 V98 | V19-V22 HydrophobicContact CG1-CG2 3.67Å; V22-Q29 HydrophobicContact CG1-CB 3.78Å; V22-L33 HydrophobicContact CG2-CB 4.17Å; V22-V98 HydrophobicContact CB-CG1 4.41Å; V22-V98 HydrophobicContact CG1-CG1 4.22Å; V22-V98 HydrophobicContact CG2-CG1 4Å |
| 23 | Q | 92.8 | Very high | 92.4 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | trans | -81.9 | 146.2 | 173.7 | -76.4 | 166.1 | 79.8 | 0 | 0 | 111.1 | S26 W90 Q93 G97 | Q23-S26 WeakPolarHBondContact O-CB 3.38Å; Q23-S26 PolarHBondContact O-N 3.35Å; Q23-S26 PolarHBondContact O-OG 3.2Å; Q23-W90 HydrophobicContact CB-CH2 3.8Å; Q23-W90 HydrophobicContact CB-CZ3 4.15Å; Q23-W90 HydrophobicContact CG-CH2 4.4Å; Q23-Q93 PolarHBondContact NE2-O 2.87Å; Q23-G97 VanDerWaalsContact CB-O 3.29Å; Q23-G97 WeakPolarHBondContact CB-O 3.4Å; Q23-G97 VanDerWaalsContact CG-O 3.3Å; Q23-G97 WeakPolarHBondContact CG-O 3.32Å; Q23-G97 PolarHBondContact N-O 2.95Å; Q23-G97 VanDerWaalsContact NE2-C 3.31Å; Q23-G97 VanDerWaalsContact NE2-CA 3.32Å; Q23-G97 PolarHBondContact NE2-O 3.42Å | ||
| 24 | E | 91.8 | Very high | 92.6 | Very high | 156 Ų | 156 | 51.2 Ų | 51.2 | 73% | 0.729 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 144.4 | 174.7 | -66.2 | -179.8 | -178 | 0 | 0 | 111.7 | S26 | E24-S26 PolarHBondContact O-N 2.84Š|
| 25 | N | 93.3 | Very high | 92.7 | Very high | 119 Ų | 119 | 50.3 Ų | 50.3 | 64% | 0.636 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 4.1 | -175.3 | -52.1 | -76 | 0 | 0 | 0 | 115.2 | Q30 | N25-Q30 PolarHBondContact O-NE2 2.91Š|
| 26 | S | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -72.5 | 157.5 | -178.6 | 70.7 | 0 | 0 | 0 | 0 | 113.9 | Q23 E24 G28 Q29 Q30 W90 L96 | Q23-S26 WeakPolarHBondContact O-CB 3.38Å; Q23-S26 PolarHBondContact O-N 3.35Å; Q23-S26 PolarHBondContact O-OG 3.2Å; E24-S26 PolarHBondContact O-N 2.84Å; S26-G28 PolarHBondContact O-N 3.17Å; S26-Q29 PolarHBondContact O-N 3.29Å; S26-Q29 PolarHBondContact OG-N 3.26Å; S26-Q30 WeakPolarHBondContact O-CG 3.5Å; S26-Q30 PolarHBondContact O-N 2.86Å; S26-W90 VanDerWaalsContact CB-CZ3 3.46Å; S26-L96 WeakPolarHBondContact CB-O 3.43Å; S26-L96 PolarHBondContact OG-O 3.47Å |
| 27 | P | 95.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.9 | -31 | 171.8 | -27.3 | 35.8 | 0 | 0 | 0 | 113.9 | Q30 A31 I84 V85 W90 | P27-Q30 PolarHBondContact O-N 2.96Å; P27-A31 VanDerWaalsContact O-CB 3.31Å; P27-A31 WeakPolarHBondContact O-CB 3.39Å; P27-A31 PolarHBondContact O-N 2.64Å; P27-I84 HydrophobicContact CB-CG1 4.33Å; P27-V85 VanDerWaalsContact CB-O 3.28Å; P27-V85 WeakPolarHBondContact CB-O 3.25Å; P27-W90 HydrophobicContact CG-CG 4.27Å |
| 28 | G | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S26 G32 L33 L96 | S26-G28 PolarHBondContact O-N 3.17Å; G28-G32 PolarHBondContact O-N 2.99Å; G28-L33 WeakPolarHBondContact O-CB 3.42Å; G28-L33 PolarHBondContact O-N 3.27Å; G28-L96 PolarHBondContact N-O 3.18Å |
| 29 | Q | 94.4 | Very high | 92.2 | Very high | 99 Ų | 99 | 47.3 Ų | 47.3 | 46% | 0.463 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.3 | -41.1 | 174.3 | -164.1 | -177.7 | 29.6 | 0 | 0 | 111.2 | V22 S26 A31 G32 | V22-Q29 HydrophobicContact CG1-CB 3.78Å; S26-Q29 PolarHBondContact O-N 3.29Å; S26-Q29 PolarHBondContact OG-N 3.26Å; Q29-A31 VanDerWaalsContact C-N 3.32Å; Q29-A31 PolarHBondContact O-N 3.27Å; Q29-G32 PolarHBondContact O-N 3.16Å |
| 30 | Q | 94.2 | Very high | 92.3 | Very high | 145 Ų | 145 | 47.3 Ų | 47.3 | 68% | 0.678 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.8 | -34.8 | 178.6 | -64.9 | 173.7 | 33.8 | 0 | 0 | 112.4 | N25 S26 P27 G32 | N25-Q30 PolarHBondContact O-NE2 2.91Å; S26-Q30 WeakPolarHBondContact O-CG 3.5Å; S26-Q30 PolarHBondContact O-N 2.86Å; P27-Q30 PolarHBondContact O-N 2.96Å; Q30-G32 PolarHBondContact O-N 3.05Å |
| 31 | A | 94.7 | Very high | 92.6 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 3.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P27 Q29 T82 Q83 I84 | P27-A31 VanDerWaalsContact O-CB 3.31Å; P27-A31 WeakPolarHBondContact O-CB 3.39Å; P27-A31 PolarHBondContact O-N 2.64Å; Q29-A31 VanDerWaalsContact C-N 3.32Å; Q29-A31 PolarHBondContact O-N 3.27Å; A31-T82 HydrophobicContact CB-CG2 4.49Å; A31-T82 PolarHBondContact O-OG1 3.39Å; A31-Q83 WeakPolarHBondContact CB-O 3.43Å; A31-I84 HydrophobicContact CB-CB 3.79Å; A31-I84 HydrophobicContact CB-CD1 3.82Å; A31-I84 HydrophobicContact CB-CG1 3.72Å |
| 32 | G | 93.3 | Very high | 92.9 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 42% | 0.423 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | G28 Q29 Q30 R80 | G28-G32 PolarHBondContact O-N 2.99Å; Q29-G32 PolarHBondContact O-N 3.16Å; Q30-G32 PolarHBondContact O-N 3.05Å; G32-R80 PolarHBondContact O-NH2 2.96Å |
| 33 | L | 94.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -76.3 | 129.9 | 169.9 | -68.9 | 177.9 | 0 | 0 | 0 | 111.5 | V19 V22 G28 D38 M69 V71 I84 V98 | V19-L33 HydrophobicContact CG2-CD1 4.42Å; V19-L33 HydrophobicContact CG2-CD2 4.48Å; V22-L33 HydrophobicContact CG2-CB 4.17Å; G28-L33 WeakPolarHBondContact O-CB 3.42Å; G28-L33 PolarHBondContact O-N 3.27Å; L33-D38 WeakPolarHBondContact CA-OD2 3.47Å; L33-D38 HydrophobicContact CD2-CB 4.42Å; L33-M69 HydrophobicContact CD1-CE 4.11Å; L33-M69 HydrophobicContact CD2-CE 3.88Å; L33-M69 HydrophobicContact CG-CE 4.24Å; L33-V71 HydrophobicContact CD2-CG1 4.18Å; L33-V71 HydrophobicContact CD2-CG2 3.9Å; L33-I84 HydrophobicContact CD1-CD1 4.33Å; L33-V98 HydrophobicContact CD1-CG1 3.87Å |
| 34 | E | 90.6 | Very high | 92.8 | Very high | 73 Ų | 73 | 35.4 Ų | 35.4 | 34% | 0.341 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -96 | 124.1 | 174.8 | -63.5 | -172.2 | 159.9 | 0 | 0 | 110.6 | F37 D38 N73 | E34-F37 HydrophobicContact CB-CB 4.23Å; E34-F37 HydrophobicContact CB-CD2 4.43Å; E34-D38 PolarHBondContact N-OD2 3.02Å; E34-D38 WeakPolarHBondContact O-CB 3.48Å; E34-D38 PolarHBondContact O-N 3.01Å; E34-N73 PolarHBondContact OE2-ND2 3.31Å |
| 35 | A | 89.4 | Confident | 92.7 | Very high | 25 Ų | 25 | 36.1 Ų | 36.1 | 21% | 0.207 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 142.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F37 V173 | A35-F37 WeakPolarHBondContact O-CD2 3.47Å; A35-F37 PolarHBondContact O-N 3.35Å; A35-V173 HydrophobicContact CB-CB 4.3Å; A35-V173 HydrophobicContact CB-CG2 4.45Å |
| 36 | F | 84.4 | Confident | 92.6 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 7% | 0.066 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -31.4 | -171.4 | -165 | -92.1 | 0 | 0 | 0 | 117.2 | H18 V19 L137 V173 | H18-F36 PolarHBondContact CD2-O 3.4Å; H18-F36 AromaticContact CE1-CD2 3.47Å; H18-F36 VanDerWaalsContact CE1-CD2 3.47Å; H18-F36 WeakPolarHBondContact CE1-CD2 3.2Å; H18-F36 AromaticContact CE1-CE2 3.35Å; H18-F36 WeakPolarHBondContact CE1-CE2 3.38Å; H18-F36 AromaticContact NE2-CD2 3.55Å; H18-F36 AromaticContact NE2-CE2 3.77Å; H18-F36 AromaticContact NE2-CG 3.86Å; H18-F36 PolarHBondContact NE2-O 3.44Å; V19-F36 WeakPolarHBondContact O-CA 3.26Å; V19-F36 PolarHBondContact O-N 2.92Å; F36-L137 HydrophobicContact CB-CD1 3.62Å; F36-L137 HydrophobicContact CD1-CB 4.03Å; F36-L137 HydrophobicContact CD1-CD1 3.73Å; F36-L137 HydrophobicContact CD1-CD2 3.93Å; F36-L137 HydrophobicContact CD1-CG 4.11Å; F36-L137 HydrophobicContact CD2-CB 3.66Å; F36-L137 HydrophobicContact CD2-CD1 3.92Å; F36-L137 HydrophobicContact CD2-CG 4.37Å; F36-L137 HydrophobicContact CE1-CB 3.91Å; F36-L137 HydrophobicContact CE1-CD1 4.42Å; F36-L137 HydrophobicContact CE1-CD2 3.96Å; F36-L137 HydrophobicContact CE1-CG 4.32Å; F36-L137 HydrophobicContact CE2-CB 3.51Å; F36-L137 WeakPolarHBondContact CE2-O 3.29Å; F36-L137 HydrophobicContact CG-CB 3.93Å; F36-L137 HydrophobicContact CG-CD1 3.45Å; F36-L137 VanDerWaalsContact CG-CD1 3.45Å; F36-L137 HydrophobicContact CG-CD2 4.47Å; F36-L137 HydrophobicContact CG-CG 4.15Å; F36-L137 HydrophobicContact CZ-CB 3.66Å; F36-L137 WeakPolarHBondContact CZ-O 3.27Å; F36-V173 HydrophobicContact CB-CG2 4.07Å |
| 37 | F | 88.3 | Confident | 92.5 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -29.7 | -177.1 | -57.8 | -59.6 | 0 | 0 | 0 | 113.3 | E34 A35 N73 S74 K75 Y166 V173 I202 | E34-F37 HydrophobicContact CB-CB 4.23Å; E34-F37 HydrophobicContact CB-CD2 4.43Å; A35-F37 WeakPolarHBondContact O-CD2 3.47Å; A35-F37 PolarHBondContact O-N 3.35Å; F37-N73 CarbonylContact O-C 3.56Å; F37-N73 WeakPolarHBondContact O-CA 3.31Å; F37-S74 PolarHBondContact O-N 2.98Å; F37-S74 PolarHBondContact O-OG 3.42Å; F37-K75 HydrophobicContact CB-CB 4.22Å; F37-K75 HydrophobicContact CD1-CB 3.67Å; F37-K75 HydrophobicContact CD1-CD 3.99Å; F37-K75 HydrophobicContact CD1-CG 4.28Å; F37-K75 HydrophobicContact CD2-CD 3.92Å; F37-K75 HydrophobicContact CE1-CB 4.24Å; F37-K75 HydrophobicContact CE1-CD 4.02Å; F37-K75 HydrophobicContact CE1-CG 4.41Å; F37-K75 HydrophobicContact CE2-CD 3.97Å; F37-K75 HydrophobicContact CG-CB 3.95Å; F37-K75 HydrophobicContact CG-CD 3.93Å; F37-K75 HydrophobicContact CZ-CD 4.02Å; F37-Y166 AromaticContact CE2-CD2 3.61Å; F37-Y166 HydrophobicContact CE2-CD2 3.61Å; F37-Y166 AromaticContact CE2-CE2 3.67Å; F37-Y166 HydrophobicContact CE2-CE2 3.67Å; F37-Y166 HydrophobicContact CE2-CG 4.43Å; F37-Y166 HydrophobicContact CZ-CD1 4.42Å; F37-Y166 AromaticContact CZ-CD2 3.47Å; F37-Y166 HydrophobicContact CZ-CD2 3.47Å; F37-Y166 VanDerWaalsContact CZ-CD2 3.47Å; F37-Y166 AromaticContact CZ-CE2 3.66Å; F37-Y166 HydrophobicContact CZ-CE2 3.66Å; F37-Y166 AromaticContact CZ-CG 3.85Å; F37-Y166 HydrophobicContact CZ-CG 3.85Å; F37-V173 HydrophobicContact CE2-CG2 4.37Å; F37-I202 HydrophobicContact CE1-CD1 3.74Å; F37-I202 HydrophobicContact CZ-CD1 3.87Å |
| 38 | D | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 140.1 | -177 | -76.3 | -18.9 | 0 | 0 | 0 | 114.6 | V19 L33 E34 V71 Y72 N73 R80 | V19-D38 HydrophobicContact CB-CB 4.33Å; V19-D38 HydrophobicContact CG2-CB 4.05Å; V19-D38 PolarHBondContact N-O 3.2Å; L33-D38 WeakPolarHBondContact CA-OD2 3.47Å; L33-D38 HydrophobicContact CD2-CB 4.42Å; E34-D38 PolarHBondContact N-OD2 3.02Å; E34-D38 WeakPolarHBondContact O-CB 3.48Å; E34-D38 PolarHBondContact O-N 3.01Å; D38-V71 HydrophobicContact CB-CG1 3.5Å; D38-V71 VanDerWaalsContact CB-CG1 3.5Å; D38-Y72 CarbonylContact C-O 3.59Å; D38-Y72 WeakPolarHBondContact CA-O 3.35Å; D38-N73 WeakPolarHBondContact OD1-CB 3.28Å; D38-N73 PolarHBondContact OD1-ND2 2.91Å; D38-R80 IonicContact OD1-CZ 3.51Å; D38-R80 IonicContact OD1-NH1 2.63Å; D38-R80 PolarHBondContact OD1-NH1 3.45Å; D38-R80 IonicContact OD1-NH2 3.33Å; D38-R80 PolarHBondContact OD1-NH2 3.26Å; D38-R80 IonicContact OD2-CZ 3.53Å; D38-R80 IonicContact OD2-NH1 4Å; D38-R80 PolarHBondContact OD2-NH1 3.42Å; D38-R80 IonicContact OD2-NH2 2.68Å; D38-R80 PolarHBondContact OD2-NH2 3.21Å |
| 39 | F | 93.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 117.4 | 171.9 | -66 | -104.7 | 0 | 0 | 0 | 108.3 | Y17 H18 V41 V71 Y72 C103 F105 A108 | Y17-F39 CarbonylContact O-C 3.55Å; Y17-F39 WeakPolarHBondContact O-CA 3.42Å; H18-F39 HydrophobicContact CB-CD1 3.7Å; H18-F39 HydrophobicContact CB-CE1 3.52Å; H18-F39 HydrophobicContact CB-CZ 4.23Å; H18-F39 AromaticContact CD2-CD1 3.99Å; H18-F39 AromaticContact CD2-CE1 3.47Å; H18-F39 VanDerWaalsContact CD2-CE1 3.47Å; H18-F39 WeakPolarHBondContact CD2-CE1 3.28Å; H18-F39 AromaticContact CD2-CE2 3.59Å; H18-F39 AromaticContact CD2-CZ 3.23Å; H18-F39 WeakPolarHBondContact CD2-CZ 3.13Å; H18-F39 AromaticContact CE1-CZ 3.98Å; H18-F39 AromaticContact CG-CE1 3.47Å; H18-F39 VanDerWaalsContact CG-CE1 3.47Å; H18-F39 AromaticContact CG-CZ 3.67Å; H18-F39 AromaticContact NE2-CE2 3.86Å; H18-F39 AromaticContact NE2-CZ 3.46Å; H18-F39 WeakPolarHBondContact NE2-CZ 3.34Å; F39-V41 HydrophobicContact CB-CG1 4.49Å; F39-V41 PolarHBondContact O-N 2.8Å; F39-V71 WeakPolarHBondContact O-CA 3.42Å; F39-Y72 HydrophobicContact CD2-CD1 4.3Å; F39-Y72 PolarHBondContact N-O 3.32Å; F39-Y72 PolarHBondContact O-N 2.83Å; F39-C103 HydrophobicContact CE1-CB 4.13Å; F39-F105 HydrophobicContact CB-CD1 3.82Å; F39-F105 HydrophobicContact CD1-CB 3.7Å; F39-F105 AromaticContact CD1-CD1 3.93Å; F39-F105 HydrophobicContact CD1-CD1 3.93Å; F39-F105 HydrophobicContact CD1-CG 4.33Å; F39-F105 HydrophobicContact CD2-CB 3.84Å; F39-F105 HydrophobicContact CE1-CB 3.7Å; F39-F105 HydrophobicContact CE2-CB 3.88Å; F39-F105 HydrophobicContact CG-CB 3.77Å; F39-F105 AromaticContact CG-CD1 3.89Å; F39-F105 HydrophobicContact CG-CD1 3.89Å; F39-F105 HydrophobicContact CG-CG 4.26Å; F39-F105 HydrophobicContact CZ-CB 3.8Å; F39-A108 HydrophobicContact CE2-CB 4.27Å; F39-A108 HydrophobicContact CZ-CB 3.67Å |
| 40 | I | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 107.5 | 176.4 | -51.6 | 169.8 | 0 | 0 | 0 | 107.5 | G16 Y17 V19 L48 M69 I100 | G16-I40 WeakPolarHBondContact CA-O 3.3Å; Y17-I40 PolarHBondContact N-O 3.1Å; Y17-I40 PolarHBondContact O-N 2.87Å; V19-I40 HydrophobicContact CG2-CD1 4.08Å; V19-I40 HydrophobicContact CG2-CG1 3.97Å; I40-L48 HydrophobicContact CG2-CD1 3.85Å; I40-M69 HydrophobicContact CB-SD 4.47Å; I40-M69 HydrophobicContact CD1-SD 3.89Å; I40-M69 HydrophobicContact CG1-SD 4.06Å; I40-M69 HydrophobicContact CG2-CG 3.53Å; I40-M69 HydrophobicContact CG2-SD 3.56Å; I40-M69 VanDerWaalsContact CG2-SD 3.56Å; I40-I100 HydrophobicContact CD1-CG2 4.38Å |
| 41 | V | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -29.2 | -172.6 | -68 | 0 | 0 | 0 | 0 | 113.1 | I9 F39 R47 L48 T70 F105 | I9-V41 HydrophobicContact CG2-CB 3.93Å; I9-V41 HydrophobicContact CG2-CG1 4.13Å; I9-V41 HydrophobicContact CG2-CG2 3.7Å; F39-V41 HydrophobicContact CB-CG1 4.49Å; F39-V41 PolarHBondContact O-N 2.8Å; V41-R47 WeakPolarHBondContact O-CD 3.1Å; V41-R47 PolarHBondContact O-NE 3.02Å; V41-R47 VanDerWaalsContact O-NE 3.08Å; V41-L48 PolarHBondContact O-N 2.75Å; V41-T70 HydrophobicContact CG2-CG2 3.71Å; V41-T70 VanDerWaalsContact CG2-O 3.25Å; V41-T70 WeakPolarHBondContact CG2-O 3.49Å; V41-T70 PolarHBondContact N-O 3.32Å; V41-F105 HydrophobicContact CG1-CD1 4.26Å; V41-F105 HydrophobicContact CG1-CE1 3.48Å; V41-F105 VanDerWaalsContact CG1-CE1 3.48Å; V41-F105 HydrophobicContact CG1-CZ 4.16Å |
| 42 | A | 94.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 5% | 0.05 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 156.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q46 T70 | A42-Q46 CarbonylContact C-O 3.54Å; A42-Q46 WeakPolarHBondContact CA-O 3.3Å; A42-Q46 VanDerWaalsContact CB-O 3.3Å; A42-Q46 WeakPolarHBondContact CB-O 3.26Å; A42-T70 PolarHBondContact N-O 2.84Å; A42-T70 PolarHBondContact O-N 2.69Å |
| 43 | I | 93.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 120.9 | 176.8 | -164.3 | 166.9 | 0 | 0 | 0 | 110 | N45 Q46 L48 L55 I58 L59 L67 | I43-N45 PolarHBondContact O-N 3.13Å; I43-Q46 PolarHBondContact N-O 3.15Å; I43-Q46 PolarHBondContact O-N 2.7Å; I43-L48 HydrophobicContact CB-CD1 4.35Å; I43-L48 HydrophobicContact CG2-CD1 4.13Å; I43-L48 HydrophobicContact CG2-CD2 4.05Å; I43-L48 HydrophobicContact CG2-CG 4.3Å; I43-L55 HydrophobicContact CD1-CD1 3.49Å; I43-L55 VanDerWaalsContact CD1-CD1 3.49Å; I43-L55 HydrophobicContact CG2-CD1 4.33Å; I43-I58 HydrophobicContact CG1-CG2 4.46Å; I43-I58 HydrophobicContact CG2-CB 4.45Å; I43-I58 HydrophobicContact CG2-CD1 3.73Å; I43-I58 HydrophobicContact CG2-CG2 4.3Å; I43-L59 HydrophobicContact CD1-CD2 3.94Å; I43-L59 HydrophobicContact CD1-CG 4.17Å; I43-L67 HydrophobicContact CD1-CD2 3.52Å; I43-L67 HydrophobicContact CD1-CG 4.18Å; I43-L67 HydrophobicContact CG1-CD1 4.27Å; I43-L67 HydrophobicContact CG1-CD2 3.71Å; I43-L67 HydrophobicContact CG1-CG 3.87Å |
| 44 | G | 90.7 | Very high | 91.8 | Very high | 25 Ų | 25 | 46 Ų | 46 | 26% | 0.258 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | -127.9 | -157.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q46 E68 | G44-Q46 VanDerWaalsContact C-N 3.34Å; G44-E68 PolarHBondContact N-O 3.08Å |
| 45 | N | 88.4 | Confident | 91.9 | Very high | 172 Ų | 172 | 42.7 Ų | 42.7 | 92% | 0.92 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 5.6 | 179.3 | -61.6 | -5.4 | 0 | 0 | 0 | 113.9 | I43 | I43-N45 PolarHBondContact O-N 3.13Š|
| 46 | Q | 91.5 | Very high | 92.1 | Very high | 108 Ų | 108 | 48.3 Ų | 48.3 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.1 | -176.5 | -68.2 | -65.2 | -20.6 | 0 | 0 | 111.5 | A42 I43 G44 I58 | A42-Q46 CarbonylContact C-O 3.54Å; A42-Q46 WeakPolarHBondContact CA-O 3.3Å; A42-Q46 VanDerWaalsContact CB-O 3.3Å; A42-Q46 WeakPolarHBondContact CB-O 3.26Å; I43-Q46 PolarHBondContact N-O 3.15Å; I43-Q46 PolarHBondContact O-N 2.7Å; G44-Q46 VanDerWaalsContact C-N 3.34Å; Q46-I58 HydrophobicContact CB-CD1 3.89Å; Q46-I58 HydrophobicContact CG-CD1 3.86Å |
| 47 | R | 93.6 | Very high | 92.5 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 145.7 | 169.9 | -176.3 | 67.8 | -162 | -126.1 | -11.1 | 109.8 | I9 P10 G12 G13 E15 V41 D49 | I9-R47 VanDerWaalsContact CG2-NH1 3.29Å; P10-R47 VanDerWaalsContact O-CD 3.26Å; P10-R47 WeakPolarHBondContact O-CD 3.21Å; P10-R47 PolarHBondContact O-NH1 2.76Å; G12-R47 PolarHBondContact O-NH1 2.92Å; G12-R47 PolarHBondContact O-NH2 3.47Å; G13-R47 PolarHBondContact O-NH2 2.81Å; E15-R47 PolarHBondContact O-NH2 3.25Å; V41-R47 WeakPolarHBondContact O-CD 3.1Å; V41-R47 PolarHBondContact O-NE 3.02Å; V41-R47 VanDerWaalsContact O-NE 3.08Å; R47-D49 HydrophobicContact CG-CB 3.8Å |
| 48 | L | 94 | Very high | 92.8 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | trans | -108.8 | 69 | 173.5 | -59.1 | 177.7 | 0 | 0 | 0 | 109.3 | Y17 I40 V41 I43 L55 | Y17-L48 HydrophobicContact CD2-CB 3.86Å; Y17-L48 HydrophobicContact CD2-CD1 3.84Å; Y17-L48 HydrophobicContact CD2-CG 4.34Å; Y17-L48 HydrophobicContact CE2-CB 3.94Å; Y17-L48 HydrophobicContact CE2-CD1 4.29Å; Y17-L48 HydrophobicContact CE2-CD2 4.35Å; Y17-L48 HydrophobicContact CE2-CG 4.42Å; I40-L48 HydrophobicContact CG2-CD1 3.85Å; V41-L48 PolarHBondContact O-N 2.75Å; I43-L48 HydrophobicContact CB-CD1 4.35Å; I43-L48 HydrophobicContact CG2-CD1 4.13Å; I43-L48 HydrophobicContact CG2-CD2 4.05Å; I43-L48 HydrophobicContact CG2-CG 4.3Å; L48-L55 HydrophobicContact CD1-CB 4.24Å; L48-L55 HydrophobicContact CD1-CD1 3.99Å; L48-L55 HydrophobicContact CD1-CD2 4.21Å; L48-L55 HydrophobicContact CD1-CG 4.37Å; L48-L55 HydrophobicContact CD2-CB 4.06Å | ||
| 49 | D | 91.8 | Very high | 92.9 | Very high | 72 Ų | 72 | 54.1 Ų | 54.1 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | trans | -95.3 | 2.5 | -177.5 | 56 | 16.2 | 0 | 0 | 0 | 113.8 | R47 F102 | R47-D49 HydrophobicContact CG-CB 3.8Å; D49-F102 VanDerWaalsContact C-CZ 3.49Å; D49-F102 VanDerWaalsContact O-CZ 3.3Å; D49-F102 WeakPolarHBondContact O-CZ 3.49Å | ||
| 50 | Q | 91.5 | Very high | 92.9 | Very high | 116 Ų | 116 | 60.9 Ų | 60.9 | 54% | 0.542 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -142.3 | 145.9 | -175.6 | -74.3 | 160.2 | 82.8 | 0 | 0 | 111 | Y17 N52 F102 | Y17-Q50 PolarHBondContact OH-O 3.3Å; Q50-N52 PolarHBondContact O-N 3.3Å; Q50-N52 VanDerWaalsContact O-N 3.11Å; Q50-F102 VanDerWaalsContact C-CE2 3.46Å |
| 51 | D | 91.9 | Very high | 92.8 | Very high | 115 Ų | 115 | 66.1 Ų | 66.1 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -76.6 | 94.4 | 170.3 | -165 | 16 | 0 | 0 | 0 | 110.5 | Y17 F102 | Y17-D51 WeakPolarHBondContact OH-CA 3.43Å; Y17-D51 PolarHBondContact OH-OD1 3.3Å; D51-F102 HydrophobicContact CB-CB 3.63Å; D51-F102 HydrophobicContact CB-CD1 3.83Å; D51-F102 HydrophobicContact CB-CD2 4.35Å; D51-F102 HydrophobicContact CB-CG 3.67Å |
| 52 | N | 92 | Very high | 92.7 | Very high | 53 Ų | 53 | 68.9 Ų | 68.9 | 28% | 0.283 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -146.3 | 175.9 | -176.6 | 65.3 | 28.9 | 0 | 0 | 0 | 112.1 | Y17 Q50 T54 | Y17-N52 PolarHBondContact OH-N 2.9Å; Y17-N52 PolarHBondContact OH-O 2.92Å; Q50-N52 PolarHBondContact O-N 3.3Å; Q50-N52 VanDerWaalsContact O-N 3.11Å; N52-T54 VanDerWaalsContact C-N 3.26Å; N52-T54 PolarHBondContact ND2-OG1 2.96Å; N52-T54 PolarHBondContact O-N 3.44Å; N52-T54 WeakPolarHBondContact OD1-CB 3.3Å; N52-T54 PolarHBondContact OD1-N 3.29Å; N52-T54 PolarHBondContact OD1-OG1 2.85Å; N52-T54 VanDerWaalsContact OD1-OG1 3.08Å |
| 53 | D | 92.6 | Very high | 92.7 | Very high | 93 Ų | 93 | 70.9 Ų | 70.9 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -79.1 | 0.7 | 179.1 | -87 | -59.4 | 0 | 0 | 0 | 114.2 | L55 R56 E57 | D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact O-N 2.86Å; D53-R56 CarbonylContact O-C 3.59Å; D53-R56 WeakPolarHBondContact O-CA 3.19Å; D53-R56 WeakPolarHBondContact O-CB 3.17Å; D53-R56 PolarHBondContact O-N 2.89Å; D53-R56 VanDerWaalsContact OD1-CD 3.28Å; D53-R56 WeakPolarHBondContact OD1-CD 3.41Å; D53-R56 IonicContact OD1-CZ 3.84Å; D53-R56 IonicContact OD1-NE 2.71Å; D53-R56 IonicContact OD1-NH1 3.96Å; D53-R56 PolarHBondContact OD1-NH1 2.76Å; D53-R56 IonicContact OD2-NH1 3.6Å; D53-E57 PolarHBondContact O-N 2.68Å |
| 54 | T | 93.5 | Very high | 92.7 | Very high | 47 Ų | 47 | 76.8 Ų | 76.8 | 29% | 0.288 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.9 | -44.1 | -175.2 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | N52 R56 E57 I58 | N52-T54 VanDerWaalsContact C-N 3.26Å; N52-T54 PolarHBondContact ND2-OG1 2.96Å; N52-T54 PolarHBondContact O-N 3.44Å; N52-T54 WeakPolarHBondContact OD1-CB 3.3Å; N52-T54 PolarHBondContact OD1-N 3.29Å; N52-T54 PolarHBondContact OD1-OG1 2.85Å; N52-T54 VanDerWaalsContact OD1-OG1 3.08Å; T54-R56 VanDerWaalsContact C-N 3.34Å; T54-R56 PolarHBondContact O-N 3.04Å; T54-E57 PolarHBondContact O-N 2.77Å; T54-I58 HydrophobicContact CG2-CD1 3.64Å; T54-I58 HydrophobicContact CG2-CG1 4.34Å; T54-I58 VanDerWaalsContact O-CG1 3.3Å; T54-I58 WeakPolarHBondContact O-CG1 3.35Å; T54-I58 PolarHBondContact O-N 3.49Å |
| 55 | L | 93.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 83 Ų | 83 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59 | -45 | 173.6 | 174.5 | 56.8 | 0 | 0 | 0 | 111.3 | Y17 I43 L48 D53 E57 L59 I100 | Y17-L55 HydrophobicContact CD1-CD2 4.32Å; Y17-L55 HydrophobicContact CD2-CD2 3.68Å; Y17-L55 HydrophobicContact CE2-CB 4.21Å; Y17-L55 HydrophobicContact CE2-CD2 4.09Å; Y17-L55 HydrophobicContact CG-CD2 3.79Å; I43-L55 HydrophobicContact CD1-CD1 3.49Å; I43-L55 VanDerWaalsContact CD1-CD1 3.49Å; I43-L55 HydrophobicContact CG2-CD1 4.33Å; L48-L55 HydrophobicContact CD1-CB 4.24Å; L48-L55 HydrophobicContact CD1-CD1 3.99Å; L48-L55 HydrophobicContact CD1-CD2 4.21Å; L48-L55 HydrophobicContact CD1-CG 4.37Å; L48-L55 HydrophobicContact CD2-CB 4.06Å; D53-L55 VanDerWaalsContact C-N 3.34Å; D53-L55 PolarHBondContact O-N 2.86Å; L55-E57 VanDerWaalsContact C-N 3.34Å; L55-E57 PolarHBondContact O-N 3.33Å; L55-L59 HydrophobicContact CD1-CD1 3.78Å; L55-L59 HydrophobicContact CD1-CG 4.13Å; L55-L59 HydrophobicContact CG-CD1 4.02Å; L55-L59 WeakPolarHBondContact O-CB 3.49Å; L55-L59 WeakPolarHBondContact O-CD1 3.25Å; L55-L59 WeakPolarHBondContact O-CG 3.38Å; L55-L59 PolarHBondContact O-N 2.68Å; L55-L59 VanDerWaalsContact O-N 3.16Å; L55-I100 HydrophobicContact CD2-CD1 3.44Å; L55-I100 VanDerWaalsContact CD2-CD1 3.44Å |
| 56 | R | 92.8 | Very high | 93.2 | Very high | 143 Ų | 143 | 78.6 Ų | 78.6 | 54% | 0.54 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.1 | -31.7 | -179.6 | -55.4 | -163.4 | -170.2 | 120 | -1.2 | 112.5 | D53 T54 K60 | D53-R56 CarbonylContact O-C 3.59Å; D53-R56 WeakPolarHBondContact O-CA 3.19Å; D53-R56 WeakPolarHBondContact O-CB 3.17Å; D53-R56 PolarHBondContact O-N 2.89Å; D53-R56 VanDerWaalsContact OD1-CD 3.28Å; D53-R56 WeakPolarHBondContact OD1-CD 3.41Å; D53-R56 IonicContact OD1-CZ 3.84Å; D53-R56 IonicContact OD1-NE 2.71Å; D53-R56 IonicContact OD1-NH1 3.96Å; D53-R56 PolarHBondContact OD1-NH1 2.76Å; D53-R56 IonicContact OD2-NH1 3.6Å; T54-R56 VanDerWaalsContact C-N 3.34Å; T54-R56 PolarHBondContact O-N 3.04Å; R56-K60 WeakPolarHBondContact O-CD 3.14Å; R56-K60 VanDerWaalsContact O-CG 3.25Å; R56-K60 WeakPolarHBondContact O-CG 3.45Å; R56-K60 PolarHBondContact O-N 3.03Å |
| 57 | E | 94.3 | Very high | 93.3 | Very high | 112 Ų | 112 | 74 Ų | 74 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.5 | -50.2 | 177.7 | -177.4 | 170.3 | -175.1 | 0 | 0 | 111.7 | D53 T54 L55 L59 K60 Q61 | D53-E57 PolarHBondContact O-N 2.68Å; T54-E57 PolarHBondContact O-N 2.77Å; L55-E57 VanDerWaalsContact C-N 3.34Å; L55-E57 PolarHBondContact O-N 3.33Å; E57-L59 PolarHBondContact O-N 2.77Å; E57-K60 WeakPolarHBondContact O-CA 3.44Å; E57-K60 WeakPolarHBondContact O-CB 3.35Å; E57-K60 PolarHBondContact O-N 3.31Å; E57-Q61 HydrophobicContact CG-CG 4.5Å; E57-Q61 WeakPolarHBondContact O-CG 3.21Å; E57-Q61 PolarHBondContact O-N 3.15Å; E57-Q61 PolarHBondContact OE1-NE2 2.77Å; E57-Q61 VanDerWaalsContact OE1-NE2 3.17Å |
| 58 | I | 94.2 | Very high | 93.4 | Very high | 20 Ų | 20 | 76.8 Ų | 76.8 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 179 | -63.6 | 168.2 | 0 | 0 | 0 | 110.3 | I43 Q46 T54 K60 Q61 H62 L67 | I43-I58 HydrophobicContact CG1-CG2 4.46Å; I43-I58 HydrophobicContact CG2-CB 4.45Å; I43-I58 HydrophobicContact CG2-CD1 3.73Å; I43-I58 HydrophobicContact CG2-CG2 4.3Å; Q46-I58 HydrophobicContact CB-CD1 3.89Å; Q46-I58 HydrophobicContact CG-CD1 3.86Å; T54-I58 HydrophobicContact CG2-CD1 3.64Å; T54-I58 HydrophobicContact CG2-CG1 4.34Å; T54-I58 VanDerWaalsContact O-CG1 3.3Å; T54-I58 WeakPolarHBondContact O-CG1 3.35Å; T54-I58 PolarHBondContact O-N 3.49Å; I58-K60 PolarHBondContact O-N 3.07Å; I58-Q61 PolarHBondContact O-N 3.12Å; I58-H62 PolarHBondContact O-N 3.34Å; I58-H62 VanDerWaalsContact O-N 3.15Å; I58-H62 PolarHBondContact O-ND1 2.83Å; I58-L67 HydrophobicContact CG2-CD1 4.26Å; I58-L67 HydrophobicContact CG2-CD2 3.94Å |
| 59 | L | 93.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 76.7 Ų | 76.7 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 173.7 | -71.2 | 170.2 | 0 | 0 | 0 | 113.4 | I43 L55 E57 H62 V63 L67 P86 L95 L96 | I43-L59 HydrophobicContact CD1-CD2 3.94Å; I43-L59 HydrophobicContact CD1-CG 4.17Å; L55-L59 HydrophobicContact CD1-CD1 3.78Å; L55-L59 HydrophobicContact CD1-CG 4.13Å; L55-L59 HydrophobicContact CG-CD1 4.02Å; L55-L59 WeakPolarHBondContact O-CB 3.49Å; L55-L59 WeakPolarHBondContact O-CD1 3.25Å; L55-L59 WeakPolarHBondContact O-CG 3.38Å; L55-L59 PolarHBondContact O-N 2.68Å; L55-L59 VanDerWaalsContact O-N 3.16Å; E57-L59 PolarHBondContact O-N 2.77Å; L59-H62 PolarHBondContact O-N 3.4Å; L59-V63 WeakPolarHBondContact O-CG2 3.26Å; L59-V63 PolarHBondContact O-N 2.71Å; L59-L67 HydrophobicContact CD2-CD2 4.08Å; L59-P86 HydrophobicContact CD2-CB 4.09Å; L59-P86 HydrophobicContact CD2-CG 3.55Å; L59-L95 HydrophobicContact CB-CD1 4.11Å; L59-L96 HydrophobicContact CD1-CD1 3.72Å; L59-L96 HydrophobicContact CD1-CG 4.01Å; L59-L96 HydrophobicContact CD2-CD1 3.86Å; L59-L96 HydrophobicContact CD2-CD2 3.77Å; L59-L96 HydrophobicContact CD2-CG 3.95Å; L59-L96 HydrophobicContact CG-CD1 4.48Å |
| 60 | K | 93.4 | Very high | 93.5 | Very high | 143 Ų | 143 | 73.7 Ų | 73.7 | 62% | 0.622 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.2 | -33.7 | 174.5 | -74 | 165.7 | -175.5 | 171.9 | 0 | 112.4 | R56 E57 I58 H62 L95 | R56-K60 WeakPolarHBondContact O-CD 3.14Å; R56-K60 VanDerWaalsContact O-CG 3.25Å; R56-K60 WeakPolarHBondContact O-CG 3.45Å; R56-K60 PolarHBondContact O-N 3.03Å; E57-K60 WeakPolarHBondContact O-CA 3.44Å; E57-K60 WeakPolarHBondContact O-CB 3.35Å; E57-K60 PolarHBondContact O-N 3.31Å; I58-K60 PolarHBondContact O-N 3.07Å; K60-H62 VanDerWaalsContact C-N 3.29Å; K60-L95 HydrophobicContact CG-CD1 4.11Å |
| 61 | Q | 93.7 | Very high | 93.7 | Very high | 110 Ų | 110 | 68.2 Ų | 68.2 | 51% | 0.514 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -72.7 | -21.9 | 177.5 | -66.2 | 174.9 | 6.6 | 0 | 0 | 112.8 | E57 I58 | E57-Q61 HydrophobicContact CG-CG 4.5Å; E57-Q61 WeakPolarHBondContact O-CG 3.21Å; E57-Q61 PolarHBondContact O-N 3.15Å; E57-Q61 PolarHBondContact OE1-NE2 2.77Å; E57-Q61 VanDerWaalsContact OE1-NE2 3.17Å; I58-Q61 PolarHBondContact O-N 3.12Å |
| 62 | H | 92.9 | Very high | 93.7 | Very high | 57 Ų | 57 | 63.9 Ų | 63.9 | 26% | 0.264 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 24.9 | -175.9 | -64.1 | 82.3 | 0 | 0 | 0 | 113.8 | I58 L59 K60 E64 R65 L67 P86 | I58-H62 PolarHBondContact O-N 3.34Å; I58-H62 VanDerWaalsContact O-N 3.15Å; I58-H62 PolarHBondContact O-ND1 2.83Å; L59-H62 PolarHBondContact O-N 3.4Å; K60-H62 VanDerWaalsContact C-N 3.29Å; H62-E64 PolarHBondContact O-N 3.37Å; H62-R65 PolarHBondContact O-N 3.36Å; H62-R65 VanDerWaalsContact O-N 3.1Å; H62-L67 HydrophobicContact CB-CB 4.29Å; H62-L67 HydrophobicContact CB-CD2 3.98Å; H62-P86 WeakPolarHBondContact O-CD 3.47Å |
| 63 | V | 94 | Very high | 93.7 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 30% | 0.297 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 133.6 | 174.2 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | L59 R65 P86 L95 | L59-V63 WeakPolarHBondContact O-CG2 3.26Å; L59-V63 PolarHBondContact O-N 2.71Å; V63-R65 PolarHBondContact O-N 2.97Å; V63-P86 CarbonylContact C-O 3.52Å; V63-P86 WeakPolarHBondContact CA-O 3.46Å; V63-L95 HydrophobicContact CG2-CD1 3.9Å; V63-L95 HydrophobicContact CG2-CD2 3.85Å |
| 64 | E | 93.1 | Very high | 93.3 | Very high | 124 Ų | 124 | 57.3 Ų | 57.3 | 58% | 0.579 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 26.5 | -175.7 | -66.3 | 176.8 | 167.6 | 0 | 0 | 114 | H62 P86 S89 | H62-E64 PolarHBondContact O-N 3.37Å; E64-P86 PolarHBondContact N-O 2.94Å; E64-S89 PolarHBondContact OE1-OG 3.26Å |
| 65 | R | 94.7 | Very high | 92.7 | Very high | 155 Ų | 155 | 56.5 Ų | 56.5 | 59% | 0.585 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -125 | 147 | 172.9 | -62.8 | 180 | -177.9 | 174.3 | 0.9 | 111.5 | H62 V63 L67 P86 | H62-R65 PolarHBondContact O-N 3.36Å; H62-R65 VanDerWaalsContact O-N 3.1Å; V63-R65 PolarHBondContact O-N 2.97Å; R65-L67 PolarHBondContact O-N 3.15Å; R65-P86 VanDerWaalsContact O-CD 3.26Å; R65-P86 WeakPolarHBondContact O-CD 3.29Å |
| 66 | P | 94.4 | Very high | 92.3 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | trans | -65.2 | 130 | 169.4 | 27.7 | -33.2 | 0 | 0 | 0 | 110.2 | Q83 V85 | P66-Q83 VanDerWaalsContact CB-CD 3.42Å; P66-Q83 HydrophobicContact CB-CG 3.72Å; P66-V85 HydrophobicContact CB-CG2 4.45Å | ||
| 67 | L | 94.9 | Very high | 91.9 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.5 | 177.4 | 178.5 | 57.7 | 0 | 0 | 0 | 108.5 | I43 I58 L59 H62 R65 I84 P86 | I43-L67 HydrophobicContact CD1-CD2 3.52Å; I43-L67 HydrophobicContact CD1-CG 4.18Å; I43-L67 HydrophobicContact CG1-CD1 4.27Å; I43-L67 HydrophobicContact CG1-CD2 3.71Å; I43-L67 HydrophobicContact CG1-CG 3.87Å; I58-L67 HydrophobicContact CG2-CD1 4.26Å; I58-L67 HydrophobicContact CG2-CD2 3.94Å; L59-L67 HydrophobicContact CD2-CD2 4.08Å; H62-L67 HydrophobicContact CB-CB 4.29Å; H62-L67 HydrophobicContact CB-CD2 3.98Å; R65-L67 PolarHBondContact O-N 3.15Å; L67-I84 HydrophobicContact CB-CG2 4.39Å; L67-I84 PolarHBondContact N-O 3.4Å; L67-I84 PolarHBondContact O-N 2.99Å; L67-P86 HydrophobicContact CD2-CG 4.43Å |
| 68 | E | 94.8 | Very high | 91.6 | Very high | 94 Ų | 94 | 55.9 Ų | 55.9 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 141.7 | 176.5 | -164 | -176.9 | 136.8 | 0 | 0 | 110.4 | G44 Q81 | G44-E68 PolarHBondContact N-O 3.08Å; E68-Q81 PolarHBondContact OE1-NE2 3.48Å |
| 69 | M | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 130.1 | -175.6 | -174.9 | 173.8 | 60.1 | 0 | 0 | 110.2 | L33 I40 V71 Q81 T82 I84 | L33-M69 HydrophobicContact CD1-CE 4.11Å; L33-M69 HydrophobicContact CD2-CE 3.88Å; L33-M69 HydrophobicContact CG-CE 4.24Å; I40-M69 HydrophobicContact CB-SD 4.47Å; I40-M69 HydrophobicContact CD1-SD 3.89Å; I40-M69 HydrophobicContact CG1-SD 4.06Å; I40-M69 HydrophobicContact CG2-CG 3.53Å; I40-M69 HydrophobicContact CG2-SD 3.56Å; I40-M69 VanDerWaalsContact CG2-SD 3.56Å; M69-V71 HydrophobicContact CE-CG2 4.1Å; M69-V71 HydrophobicContact CG-CG2 4.17Å; M69-Q81 WeakPolarHBondContact O-CA 3.5Å; M69-T82 HydrophobicContact CB-CG2 4.27Å; M69-T82 HydrophobicContact CE-CG2 3.61Å; M69-T82 PolarHBondContact N-O 3.02Å; M69-T82 PolarHBondContact O-N 3.03Å; M69-I84 HydrophobicContact CB-CG2 4.36Å; M69-I84 HydrophobicContact CE-CB 4.16Å; M69-I84 HydrophobicContact CE-CD1 3.78Å; M69-I84 HydrophobicContact CE-CG2 4.07Å; M69-I84 HydrophobicContact SD-CG2 4.28Å |
| 70 | T | 94.6 | Very high | 91.4 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.055 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 126.3 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 109.4 | P10 V41 A42 V79 | P10-T70 HydrophobicContact CG-CG2 4.45Å; V41-T70 HydrophobicContact CG2-CG2 3.71Å; V41-T70 VanDerWaalsContact CG2-O 3.25Å; V41-T70 WeakPolarHBondContact CG2-O 3.49Å; V41-T70 PolarHBondContact N-O 3.32Å; A42-T70 PolarHBondContact N-O 2.84Å; A42-T70 PolarHBondContact O-N 2.69Å; T70-V79 HydrophobicContact CG2-CG1 3.37Å |
| 71 | V | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 121 | -171.1 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | L33 D38 F39 M69 V79 R80 T82 | L33-V71 HydrophobicContact CD2-CG1 4.18Å; L33-V71 HydrophobicContact CD2-CG2 3.9Å; D38-V71 HydrophobicContact CB-CG1 3.5Å; D38-V71 VanDerWaalsContact CB-CG1 3.5Å; F39-V71 WeakPolarHBondContact O-CA 3.42Å; M69-V71 HydrophobicContact CE-CG2 4.1Å; M69-V71 HydrophobicContact CG-CG2 4.17Å; V71-V79 WeakPolarHBondContact O-CA 3.46Å; V71-R80 HydrophobicContact CB-CG 4.4Å; V71-R80 PolarHBondContact N-O 3.08Å; V71-R80 PolarHBondContact O-N 3.35Å; V71-T82 HydrophobicContact CG2-CG2 3.96Å |
| 72 | Y | 92.8 | Very high | 91.4 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 133 | 168.2 | 172.5 | -104.2 | 0 | 0 | 0 | 109.7 | I9 D38 F39 V79 F105 | I9-Y72 HydrophobicContact CD1-CD2 4.39Å; D38-Y72 CarbonylContact C-O 3.59Å; D38-Y72 WeakPolarHBondContact CA-O 3.35Å; F39-Y72 HydrophobicContact CD2-CD1 4.3Å; F39-Y72 PolarHBondContact N-O 3.32Å; F39-Y72 PolarHBondContact O-N 2.83Å; Y72-V79 HydrophobicContact CD2-CG2 3.95Å; Y72-F105 HydrophobicContact CD1-CB 3.89Å; Y72-F105 AromaticContact CD1-CD1 3.97Å; Y72-F105 HydrophobicContact CD1-CD1 3.97Å; Y72-F105 AromaticContact CD1-CD2 3.62Å; Y72-F105 HydrophobicContact CD1-CD2 3.62Å; Y72-F105 HydrophobicContact CD1-CE1 4.48Å; Y72-F105 HydrophobicContact CD1-CE2 4.17Å; Y72-F105 AromaticContact CD1-CG 3.52Å; Y72-F105 HydrophobicContact CD1-CG 3.52Å; Y72-F105 HydrophobicContact CE1-CB 3.82Å; Y72-F105 AromaticContact CE1-CD2 3.52Å; Y72-F105 HydrophobicContact CE1-CD2 3.52Å; Y72-F105 HydrophobicContact CE1-CE2 4.29Å; Y72-F105 AromaticContact CE1-CG 3.7Å; Y72-F105 HydrophobicContact CE1-CG 3.7Å; Y72-F105 HydrophobicContact CG-CD2 4.39Å; Y72-F105 HydrophobicContact CG-CG 4.48Å |
| 73 | N | 90.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 113.5 | -179.8 | -178.7 | -89.6 | 0 | 0 | 0 | 110.2 | E34 F37 D38 K75 T76 Q77 N78 | E34-N73 PolarHBondContact OE2-ND2 3.31Å; F37-N73 CarbonylContact O-C 3.56Å; F37-N73 WeakPolarHBondContact O-CA 3.31Å; D38-N73 WeakPolarHBondContact OD1-CB 3.28Å; D38-N73 PolarHBondContact OD1-ND2 2.91Å; N73-K75 VanDerWaalsContact C-N 3.27Å; N73-K75 PolarHBondContact O-N 3.07Å; N73-K75 PolarHBondContact OD1-N 2.86Å; N73-T76 WeakPolarHBondContact CB-OG1 3.46Å; N73-T76 PolarHBondContact O-N 2.87Å; N73-T76 PolarHBondContact OD1-N 3.47Å; N73-T76 PolarHBondContact OD1-OG1 2.88Å; N73-Q77 VanDerWaalsContact O-CA 3.29Å; N73-Q77 WeakPolarHBondContact O-CA 3.41Å; N73-Q77 PolarHBondContact O-N 2.73Å; N73-N78 PolarHBondContact N-O 2.89Å |
| 74 | S | 85.6 | Confident | 91.6 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -21.8 | -171.9 | 65.9 | 0 | 0 | 0 | 0 | 114.5 | F37 | F37-S74 PolarHBondContact O-N 2.98Å; F37-S74 PolarHBondContact O-OG 3.42Å |
| 75 | K | 80.9 | Confident | 91.8 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 13% | 0.13 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -40.6 | 179 | -172.7 | 176.4 | -175.3 | 172.6 | 0 | 112.4 | F37 N73 Y166 D171 | F37-K75 HydrophobicContact CB-CB 4.22Å; F37-K75 HydrophobicContact CD1-CB 3.67Å; F37-K75 HydrophobicContact CD1-CD 3.99Å; F37-K75 HydrophobicContact CD1-CG 4.28Å; F37-K75 HydrophobicContact CD2-CD 3.92Å; F37-K75 HydrophobicContact CE1-CB 4.24Å; F37-K75 HydrophobicContact CE1-CD 4.02Å; F37-K75 HydrophobicContact CE1-CG 4.41Å; F37-K75 HydrophobicContact CE2-CD 3.97Å; F37-K75 HydrophobicContact CG-CB 3.95Å; F37-K75 HydrophobicContact CG-CD 3.93Å; F37-K75 HydrophobicContact CZ-CD 4.02Å; N73-K75 VanDerWaalsContact C-N 3.27Å; N73-K75 PolarHBondContact O-N 3.07Å; N73-K75 PolarHBondContact OD1-N 2.86Å; K75-Y166 PolarHBondContact NZ-OH 2.83Å; K75-Y166 VanDerWaalsContact NZ-OH 3.15Å; K75-D171 IonicContact NZ-OD1 3.36Å; K75-D171 PolarHBondContact NZ-OD1 2.92Å; K75-D171 IonicContact NZ-OD2 3.46Å |
| 76 | T | 83.5 | Confident | 91.8 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 54% | 0.54 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -8.9 | 178.1 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | N73 N78 | N73-T76 WeakPolarHBondContact CB-OG1 3.46Å; N73-T76 PolarHBondContact O-N 2.87Å; N73-T76 PolarHBondContact OD1-N 3.47Å; N73-T76 PolarHBondContact OD1-OG1 2.88Å; T76-N78 PolarHBondContact O-N 3.38Å |
| 77 | Q | 84 | Confident | 91.8 | Very high | 78 Ų | 78 | 42.4 Ų | 42.4 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 26.9 | -174 | -53.6 | -168.1 | -68.6 | 0 | 0 | 114.1 | G6 N73 N109 | G6-Q77 WeakPolarHBondContact CA-O 3.36Å; N73-Q77 VanDerWaalsContact O-CA 3.29Å; N73-Q77 WeakPolarHBondContact O-CA 3.41Å; N73-Q77 PolarHBondContact O-N 2.73Å; Q77-N109 PolarHBondContact NE2-ND2 3.09Å |
| 78 | N | 88.2 | Confident | 91.6 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 151.9 | -175 | -161.1 | 2.5 | 0 | 0 | 0 | 111.8 | N73 T76 | N73-N78 PolarHBondContact N-O 2.89Å; T76-N78 PolarHBondContact O-N 3.38Å |
| 79 | V | 91.5 | Very high | 91.5 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 9% | 0.085 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.7 | 174.3 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | M7 I9 T70 V71 Y72 | M7-V79 HydrophobicContact CB-CB 4.24Å; M7-V79 HydrophobicContact CB-CG2 4.28Å; M7-V79 WeakPolarHBondContact CE-O 3.5Å; M7-V79 WeakPolarHBondContact O-CG2 3.47Å; I9-V79 HydrophobicContact CG1-CG2 3.95Å; T70-V79 HydrophobicContact CG2-CG1 3.37Å; V71-V79 WeakPolarHBondContact O-CA 3.46Å; Y72-V79 HydrophobicContact CD2-CG2 3.95Å |
| 80 | R | 93.2 | Very high | 91.4 | Very high | 75 Ų | 75 | 49.7 Ų | 49.7 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 143.7 | 176.4 | 71.3 | -171.7 | -170.6 | -73.6 | 9.5 | 111.5 | G32 D38 V71 | G32-R80 PolarHBondContact O-NH2 2.96Å; D38-R80 IonicContact OD1-CZ 3.51Å; D38-R80 IonicContact OD1-NH1 2.63Å; D38-R80 PolarHBondContact OD1-NH1 3.45Å; D38-R80 IonicContact OD1-NH2 3.33Å; D38-R80 PolarHBondContact OD1-NH2 3.26Å; D38-R80 IonicContact OD2-CZ 3.53Å; D38-R80 IonicContact OD2-NH1 4Å; D38-R80 PolarHBondContact OD2-NH1 3.42Å; D38-R80 IonicContact OD2-NH2 2.68Å; D38-R80 PolarHBondContact OD2-NH2 3.21Å; V71-R80 HydrophobicContact CB-CG 4.4Å; V71-R80 PolarHBondContact N-O 3.08Å; V71-R80 PolarHBondContact O-N 3.35Å |
| 81 | Q | 93.6 | Very high | 91.2 | Very high | 141 Ų | 141 | 53 Ų | 53 | 66% | 0.659 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 136.3 | 163.2 | -73.3 | 156.4 | -55.7 | 0 | 0 | 108.5 | E68 M69 | E68-Q81 PolarHBondContact OE1-NE2 3.48Å; M69-Q81 WeakPolarHBondContact O-CA 3.5Å |
| 82 | T | 94.4 | Very high | 91 | Very high | 26 Ų | 26 | 54.4 Ų | 54.4 | 16% | 0.16 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 157.4 | 169.1 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | A31 M69 V71 | A31-T82 HydrophobicContact CB-CG2 4.49Å; A31-T82 PolarHBondContact O-OG1 3.39Å; M69-T82 HydrophobicContact CB-CG2 4.27Å; M69-T82 HydrophobicContact CE-CG2 3.61Å; M69-T82 PolarHBondContact N-O 3.02Å; M69-T82 PolarHBondContact O-N 3.03Å; V71-T82 HydrophobicContact CG2-CG2 3.96Å |
| 83 | Q | 95.3 | Very high | 90.9 | Very high | 132 Ų | 132 | 60.1 Ų | 60.1 | 62% | 0.617 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.5 | 174.6 | -176.3 | 174.9 | 97.6 | 0 | 0 | 108.8 | A31 P66 | A31-Q83 WeakPolarHBondContact CB-O 3.43Å; P66-Q83 VanDerWaalsContact CB-CD 3.42Å; P66-Q83 HydrophobicContact CB-CG 3.72Å |
| 84 | I | 95.5 | Very high | 91 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 143.7 | 178.9 | -164.1 | 158 | 0 | 0 | 0 | 109.8 | P27 A31 L33 L67 M69 L96 | P27-I84 HydrophobicContact CB-CG1 4.33Å; A31-I84 HydrophobicContact CB-CB 3.79Å; A31-I84 HydrophobicContact CB-CD1 3.82Å; A31-I84 HydrophobicContact CB-CG1 3.72Å; L33-I84 HydrophobicContact CD1-CD1 4.33Å; L67-I84 HydrophobicContact CB-CG2 4.39Å; L67-I84 PolarHBondContact N-O 3.4Å; L67-I84 PolarHBondContact O-N 2.99Å; M69-I84 HydrophobicContact CB-CG2 4.36Å; M69-I84 HydrophobicContact CE-CB 4.16Å; M69-I84 HydrophobicContact CE-CD1 3.78Å; M69-I84 HydrophobicContact CE-CG2 4.07Å; M69-I84 HydrophobicContact SD-CG2 4.28Å; I84-L96 HydrophobicContact CD1-CD1 3.93Å; I84-L96 HydrophobicContact CD1-CD2 3.5Å; I84-L96 VanDerWaalsContact CD1-CD2 3.5Å; I84-L96 HydrophobicContact CD1-CG 4.18Å; I84-L96 HydrophobicContact CG1-CD2 3.7Å |
| 85 | V | 95.8 | Very high | 91.4 | Very high | 63 Ų | 63 | 62.8 Ų | 62.8 | 38% | 0.382 | 35% | 0.354 | S | S | . | . | trans | -114.8 | 96.8 | 178.1 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | P27 P66 S87 | P27-V85 VanDerWaalsContact CB-O 3.28Å; P27-V85 WeakPolarHBondContact CB-O 3.25Å; P66-V85 HydrophobicContact CB-CG2 4.45Å; V85-S87 PolarHBondContact O-N 2.88Å | ||
| 86 | P | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -61.9 | 123.7 | -179.7 | -18.3 | 31.3 | 0 | 0 | 0 | 110 | L59 H62 V63 E64 R65 L67 L95 L96 | L59-P86 HydrophobicContact CD2-CB 4.09Å; L59-P86 HydrophobicContact CD2-CG 3.55Å; H62-P86 WeakPolarHBondContact O-CD 3.47Å; V63-P86 CarbonylContact C-O 3.52Å; V63-P86 WeakPolarHBondContact CA-O 3.46Å; E64-P86 PolarHBondContact N-O 2.94Å; R65-P86 VanDerWaalsContact O-CD 3.26Å; R65-P86 WeakPolarHBondContact O-CD 3.29Å; L67-P86 HydrophobicContact CD2-CG 4.43Å; P86-L95 CarbonylContact C-O 3.6Å; P86-L95 WeakPolarHBondContact CA-O 3.29Å; P86-L95 HydrophobicContact CB-CB 4.11Å; P86-L96 HydrophobicContact CB-CD2 4.07Å; P86-L96 HydrophobicContact CG-CD2 4.17Å | ||
| 87 | S | 94.3 | Very high | 92.6 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 11% | 0.112 | 33% | 0.326 | C | S | . | . | trans | -128.7 | 140.4 | -173.2 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | V85 S89 W90 L95 | V85-S87 PolarHBondContact O-N 2.88Å; S87-S89 PolarHBondContact OG-N 2.75Å; S87-S89 PolarHBondContact OG-OG 2.82Å; S87-W90 PolarHBondContact O-NE1 2.89Å; S87-W90 PolarHBondContact OG-N 2.82Å; S87-L95 PolarHBondContact N-O 2.85Å; S87-L95 WeakPolarHBondContact O-CA 3.42Å | ||
| 88 | Q | 92.2 | Very high | 93.1 | Very high | 126 Ų | 126 | 55.4 Ų | 55.4 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -95.4 | -9.5 | 170.1 | -164.6 | 57.2 | 85 | 0 | 0 | 112.2 | L95 | Q88-L95 HydrophobicContact CB-CD2 4.28Š|
| 89 | S | 91.6 | Very high | 93.2 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 58% | 0.58 | 32% | 0.315 | S | S | * | . | trans | -106.8 | -7.2 | -162.3 | 40.9 | 0 | 0 | 0 | 0 | 114.6 | E64 S87 G91 | E64-S89 PolarHBondContact OE1-OG 3.26Å; S87-S89 PolarHBondContact OG-N 2.75Å; S87-S89 PolarHBondContact OG-OG 2.82Å; S89-G91 VanDerWaalsContact C-N 3.25Å; S89-G91 PolarHBondContact O-N 3.21Å | ||
| 90 | W | 92.4 | Very high | 93.2 | Very high | 48 Ų | 48 | 56.6 Ų | 56.6 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -74.1 | -3 | 179.4 | 70.3 | -81.5 | 0 | 0 | 0 | 115.6 | Q23 S26 P27 S87 G92 G94 | Q23-W90 HydrophobicContact CB-CH2 3.8Å; Q23-W90 HydrophobicContact CB-CZ3 4.15Å; Q23-W90 HydrophobicContact CG-CH2 4.4Å; S26-W90 VanDerWaalsContact CB-CZ3 3.46Å; P27-W90 HydrophobicContact CG-CG 4.27Å; S87-W90 PolarHBondContact O-NE1 2.89Å; S87-W90 PolarHBondContact OG-N 2.82Å; W90-G92 VanDerWaalsContact CH2-CA 3.44Å; W90-G92 VanDerWaalsContact CZ2-C 3.49Å; W90-G94 PolarHBondContact NE1-O 2.87Å |
| 91 | G | 90.2 | Very high | 93 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 80% | 0.804 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 90.6 | -11.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | S89 | S89-G91 VanDerWaalsContact C-N 3.25Å; S89-G91 PolarHBondContact O-N 3.21Å |
| 92 | G | 91.1 | Very high | 92.8 | Very high | 30 Ų | 30 | 53.4 Ų | 53.4 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -100.9 | -168.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W90 | W90-G92 VanDerWaalsContact CH2-CA 3.44Å; W90-G92 VanDerWaalsContact CZ2-C 3.49Å |
| 93 | Q | 91.3 | Very high | 92.4 | Very high | 145 Ų | 145 | 53.2 Ų | 53.2 | 68% | 0.678 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -90 | 121.6 | -175 | -174.5 | 176.7 | -11.2 | 0 | 0 | 112.8 | Q23 | Q23-Q93 PolarHBondContact NE2-O 2.87Š|
| 94 | G | 92.2 | Very high | 92 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 37% | 0.371 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 86.5 | 165.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | W90 L96 | W90-G94 PolarHBondContact NE1-O 2.87Å; G94-L96 VanDerWaalsContact C-N 3.27Å; G94-L96 PolarHBondContact O-N 2.92Å |
| 95 | L | 94 | Very high | 91.5 | Very high | 29 Ų | 29 | 49.8 Ų | 49.8 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -67.3 | -23.9 | -171.3 | -64.4 | 176.9 | 0 | 0 | 0 | 114.6 | L59 K60 V63 P86 S87 Q88 | L59-L95 HydrophobicContact CB-CD1 4.11Å; K60-L95 HydrophobicContact CG-CD1 4.11Å; V63-L95 HydrophobicContact CG2-CD1 3.9Å; V63-L95 HydrophobicContact CG2-CD2 3.85Å; P86-L95 CarbonylContact C-O 3.6Å; P86-L95 WeakPolarHBondContact CA-O 3.29Å; P86-L95 HydrophobicContact CB-CB 4.11Å; S87-L95 PolarHBondContact N-O 2.85Å; S87-L95 WeakPolarHBondContact O-CA 3.42Å; Q88-L95 HydrophobicContact CB-CD2 4.28Å |
| 96 | L | 94.5 | Very high | 90.8 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -118 | -15.3 | -178.4 | -62.7 | -169.4 | 0 | 0 | 0 | 114.1 | S26 G28 L59 I84 P86 G94 V98 | S26-L96 WeakPolarHBondContact CB-O 3.43Å; S26-L96 PolarHBondContact OG-O 3.47Å; G28-L96 PolarHBondContact N-O 3.18Å; L59-L96 HydrophobicContact CD1-CD1 3.72Å; L59-L96 HydrophobicContact CD1-CG 4.01Å; L59-L96 HydrophobicContact CD2-CD1 3.86Å; L59-L96 HydrophobicContact CD2-CD2 3.77Å; L59-L96 HydrophobicContact CD2-CG 3.95Å; L59-L96 HydrophobicContact CG-CD1 4.48Å; I84-L96 HydrophobicContact CD1-CD1 3.93Å; I84-L96 HydrophobicContact CD1-CD2 3.5Å; I84-L96 VanDerWaalsContact CD1-CD2 3.5Å; I84-L96 HydrophobicContact CD1-CG 4.18Å; I84-L96 HydrophobicContact CG1-CD2 3.7Å; P86-L96 HydrophobicContact CB-CD2 4.07Å; P86-L96 HydrophobicContact CG-CD2 4.17Å; G94-L96 VanDerWaalsContact C-N 3.27Å; G94-L96 PolarHBondContact O-N 2.92Å; L96-V98 HydrophobicContact CB-CG2 3.97Å; L96-V98 HydrophobicContact CD1-CG2 4.24Å; L96-V98 PolarHBondContact O-N 2.97Å |
| 97 | G | 94.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | trans | 68 | 12.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q23 | Q23-G97 VanDerWaalsContact CB-O 3.29Å; Q23-G97 WeakPolarHBondContact CB-O 3.4Å; Q23-G97 VanDerWaalsContact CG-O 3.3Å; Q23-G97 WeakPolarHBondContact CG-O 3.32Å; Q23-G97 PolarHBondContact N-O 2.95Å; Q23-G97 VanDerWaalsContact NE2-C 3.31Å; Q23-G97 VanDerWaalsContact NE2-CA 3.32Å; Q23-G97 PolarHBondContact NE2-O 3.42Å | ||
| 98 | V | 93.6 | Very high | 88.9 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 150.1 | 178.7 | -55.6 | 0 | 0 | 0 | 0 | 113.4 | V19 R21 V22 L33 L96 I100 | V19-V98 HydrophobicContact CG1-CB 4.48Å; R21-V98 CarbonylContact O-C 3.58Å; R21-V98 VanDerWaalsContact O-CA 3.26Å; R21-V98 WeakPolarHBondContact O-CA 3.45Å; V22-V98 HydrophobicContact CB-CG1 4.41Å; V22-V98 HydrophobicContact CG1-CG1 4.22Å; V22-V98 HydrophobicContact CG2-CG1 4Å; L33-V98 HydrophobicContact CD1-CG1 3.87Å; L96-V98 HydrophobicContact CB-CG2 3.97Å; L96-V98 HydrophobicContact CD1-CG2 4.24Å; L96-V98 PolarHBondContact O-N 2.97Å; V98-I100 HydrophobicContact CG2-CG2 3.91Å |
| 99 | S | 90.5 | Very high | 88.2 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 132.4 | 163.5 | -54.7 | 0 | 0 | 0 | 0 | 108.9 | L20 R21 | L20-S99 PolarHBondContact N-O 3.06Å; R21-S99 PolarHBondContact N-O 2.98Å; R21-S99 PolarHBondContact O-N 2.89Å |
| 100 | I | 91.6 | Very high | 87.6 | Confident | 59 Ų | 59 | 50 Ų | 50 | 30% | 0.303 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 153.5 | -174.5 | 51.1 | 172 | 0 | 0 | 0 | 111.7 | Y17 H18 V19 I40 L55 V98 | Y17-I100 HydrophobicContact CD1-CB 4.46Å; Y17-I100 HydrophobicContact CD1-CD1 3.89Å; Y17-I100 HydrophobicContact CD1-CG1 4.42Å; Y17-I100 HydrophobicContact CG-CD1 4.22Å; H18-I100 WeakPolarHBondContact O-CA 3.44Å; V19-I100 HydrophobicContact CG2-CG2 4.32Å; I40-I100 HydrophobicContact CD1-CG2 4.38Å; L55-I100 HydrophobicContact CD2-CD1 3.44Å; L55-I100 VanDerWaalsContact CD2-CD1 3.44Å; V98-I100 HydrophobicContact CG2-CG2 3.91Å |
| 101 | R | 89.1 | Confident | 87.2 | Confident | 99 Ų | 99 | 49.2 Ų | 49.2 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142.4 | 170.7 | 171.3 | -177.8 | 148.3 | 163.7 | -6 | 108.9 | Y17 H18 L20 C103 S142 | Y17-R101 CarbonylContact C-O 3.52Å; Y17-R101 WeakPolarHBondContact CA-O 3.42Å; H18-R101 WeakPolarHBondContact CB-O 3.36Å; H18-R101 PolarHBondContact N-O 2.74Å; H18-R101 PolarHBondContact O-N 2.88Å; H18-R101 VanDerWaalsContact O-N 3.07Å; L20-R101 HydrophobicContact CD1-CB 3.85Å; L20-R101 HydrophobicContact CG-CB 4.34Å; R101-C103 PolarHBondContact NE-SG 2.94Å; R101-S142 PolarHBondContact NH1-OG 2.99Å; R101-S142 PolarHBondContact NH2-OG 2.65Å |
| 102 | F | 90.8 | Very high | 87.1 | Confident | 51 Ų | 51 | 45.9 Ų | 45.9 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 126.3 | 171.3 | -175.4 | -98.9 | 0 | 0 | 0 | 110.4 | E15 Y17 D49 Q50 D51 | E15-F102 HydrophobicContact CB-CE2 4.04Å; E15-F102 HydrophobicContact CB-CZ 3.62Å; E15-F102 HydrophobicContact CG-CZ 4.05Å; Y17-F102 HydrophobicContact CD1-CB 4.2Å; Y17-F102 HydrophobicContact CE1-CB 3.92Å; Y17-F102 HydrophobicContact CE1-CD2 4.33Å; Y17-F102 HydrophobicContact CE2-CD2 4.24Å; D49-F102 VanDerWaalsContact C-CZ 3.49Å; D49-F102 VanDerWaalsContact O-CZ 3.3Å; D49-F102 WeakPolarHBondContact O-CZ 3.49Å; Q50-F102 VanDerWaalsContact C-CE2 3.46Å; D51-F102 HydrophobicContact CB-CB 3.63Å; D51-F102 HydrophobicContact CB-CD1 3.83Å; D51-F102 HydrophobicContact CB-CD2 4.35Å; D51-F102 HydrophobicContact CB-CG 3.67Å |
| 103 | C | 86 | Confident | 87.1 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 14% | 0.142 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 161.2 | -176.5 | -69.3 | 0 | 0 | 0 | 0 | 110.5 | G16 H18 F39 R101 | G16-C103 PolarHBondContact N-O 2.83Å; G16-C103 PolarHBondContact O-N 3.15Å; H18-C103 HydrophobicContact CB-CB 4.08Å; F39-C103 HydrophobicContact CE1-CB 4.13Å; R101-C103 PolarHBondContact NE-SG 2.94Å |
| 104 | S | 85.8 | Confident | 87.2 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 146.3 | 152 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | T14 E106 | T14-S104 WeakPolarHBondContact CB-OG 3.3Å; T14-S104 CarbonylContact O-C 3.58Å; T14-S104 VanDerWaalsContact O-CA 3.24Å; T14-S104 WeakPolarHBondContact O-CA 3.42Å; T14-S104 PolarHBondContact O-OG 2.77Å; T14-S104 PolarHBondContact OG1-OG 3Å; S104-E106 VanDerWaalsContact OG-CB 3.23Å; S104-E106 WeakPolarHBondContact OG-CB 3.44Å; S104-E106 PolarHBondContact OG-N 3.49Å |
| 105 | F | 85.2 | Confident | 87.3 | Confident | 13 Ų | 13 | 37.5 Ų | 37.5 | 6% | 0.057 | 20% | 0.198 | C | C | . | . | trans | -93.1 | -2.2 | 166.7 | 45 | -98 | 0 | 0 | 0 | 112.8 | I9 T14 F39 V41 Y72 G107 A108 | I9-F105 HydrophobicContact CD1-CD2 4.49Å; I9-F105 HydrophobicContact CD1-CE1 4.32Å; I9-F105 HydrophobicContact CD1-CE2 3.29Å; I9-F105 HydrophobicContact CD1-CZ 3.19Å; T14-F105 VanDerWaalsContact CA-CZ 3.41Å; T14-F105 HydrophobicContact CG2-CE2 4.29Å; T14-F105 WeakPolarHBondContact O-CD1 3.35Å; T14-F105 WeakPolarHBondContact O-CE1 3.47Å; T14-F105 WeakPolarHBondContact O-CG 3.16Å; T14-F105 VanDerWaalsContact O-CZ 3.22Å; T14-F105 WeakPolarHBondContact O-CZ 3.46Å; T14-F105 PolarHBondContact O-N 2.92Å; F39-F105 HydrophobicContact CB-CD1 3.82Å; F39-F105 HydrophobicContact CD1-CB 3.7Å; F39-F105 AromaticContact CD1-CD1 3.93Å; F39-F105 HydrophobicContact CD1-CD1 3.93Å; F39-F105 HydrophobicContact CD1-CG 4.33Å; F39-F105 HydrophobicContact CD2-CB 3.84Å; F39-F105 HydrophobicContact CE1-CB 3.7Å; F39-F105 HydrophobicContact CE2-CB 3.88Å; F39-F105 HydrophobicContact CG-CB 3.77Å; F39-F105 AromaticContact CG-CD1 3.89Å; F39-F105 HydrophobicContact CG-CD1 3.89Å; F39-F105 HydrophobicContact CG-CG 4.26Å; F39-F105 HydrophobicContact CZ-CB 3.8Å; V41-F105 HydrophobicContact CG1-CD1 4.26Å; V41-F105 HydrophobicContact CG1-CE1 3.48Å; V41-F105 VanDerWaalsContact CG1-CE1 3.48Å; V41-F105 HydrophobicContact CG1-CZ 4.16Å; Y72-F105 HydrophobicContact CD1-CB 3.89Å; Y72-F105 AromaticContact CD1-CD1 3.97Å; Y72-F105 HydrophobicContact CD1-CD1 3.97Å; Y72-F105 AromaticContact CD1-CD2 3.62Å; Y72-F105 HydrophobicContact CD1-CD2 3.62Å; Y72-F105 HydrophobicContact CD1-CE1 4.48Å; Y72-F105 HydrophobicContact CD1-CE2 4.17Å; Y72-F105 AromaticContact CD1-CG 3.52Å; Y72-F105 HydrophobicContact CD1-CG 3.52Å; Y72-F105 HydrophobicContact CE1-CB 3.82Å; Y72-F105 AromaticContact CE1-CD2 3.52Å; Y72-F105 HydrophobicContact CE1-CD2 3.52Å; Y72-F105 HydrophobicContact CE1-CE2 4.29Å; Y72-F105 AromaticContact CE1-CG 3.7Å; Y72-F105 HydrophobicContact CE1-CG 3.7Å; Y72-F105 HydrophobicContact CG-CD2 4.39Å; Y72-F105 HydrophobicContact CG-CG 4.48Å; F105-G107 PolarHBondContact O-N 3.2Å; F105-A108 HydrophobicContact CB-CB 4.4Å; F105-A108 WeakPolarHBondContact O-CB 3.42Å; F105-A108 PolarHBondContact O-N 3.41Å | ||
| 106 | E | 81.7 | Confident | 87.4 | Confident | 140 Ų | 140 | 38.4 Ų | 38.4 | 65% | 0.654 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | 126.2 | 166.5 | -167.1 | 164.8 | -177.2 | 0 | 0 | 109.1 | T14 S104 A108 | T14-E106 HydrophobicContact CG2-CB 4.2Å; T14-E106 WeakPolarHBondContact CG2-OE2 3.29Å; T14-E106 PolarHBondContact OG1-OE2 3.38Å; S104-E106 VanDerWaalsContact OG-CB 3.23Å; S104-E106 WeakPolarHBondContact OG-CB 3.44Å; S104-E106 PolarHBondContact OG-N 3.49Å; E106-A108 PolarHBondContact O-N 3.28Å |
| 107 | G | 74.7 | Confident | 87.4 | Confident | 16 Ų | 16 | 43 Ų | 43 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -16.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | F105 N109 Q110 N111 | F105-G107 PolarHBondContact O-N 3.2Å; G107-N109 VanDerWaalsContact C-N 3.27Å; G107-N109 PolarHBondContact O-N 3.12Å; G107-N109 VanDerWaalsContact O-N 3.13Å; G107-Q110 WeakPolarHBondContact O-CA 3.23Å; G107-Q110 WeakPolarHBondContact O-CB 3.47Å; G107-Q110 PolarHBondContact O-N 2.82Å; G107-N111 PolarHBondContact O-N 2.65Å; G107-N111 VanDerWaalsContact O-N 3.12Å |
| 108 | A | 74.7 | Confident | 87.5 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 12% | 0.116 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | F39 F105 E106 Q110 | F39-A108 HydrophobicContact CE2-CB 4.27Å; F39-A108 HydrophobicContact CZ-CB 3.67Å; F105-A108 HydrophobicContact CB-CB 4.4Å; F105-A108 WeakPolarHBondContact O-CB 3.42Å; F105-A108 PolarHBondContact O-N 3.41Å; E106-A108 PolarHBondContact O-N 3.28Å; A108-Q110 VanDerWaalsContact C-N 3.33Å |
| 109 | N | 77.8 | Confident | 87.5 | Confident | 42 Ų | 42 | 45.6 Ų | 45.6 | 23% | 0.225 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 4.8 | 171.5 | 73.7 | -14.4 | 0 | 0 | 0 | 113.8 | Q77 G107 R201 | Q77-N109 PolarHBondContact NE2-ND2 3.09Å; G107-N109 VanDerWaalsContact C-N 3.27Å; G107-N109 PolarHBondContact O-N 3.12Å; G107-N109 VanDerWaalsContact O-N 3.13Å; N109-R201 WeakPolarHBondContact O-CD 3.44Å |
| 110 | Q | 78.2 | Confident | 87.7 | Confident | 80 Ų | 80 | 47.6 Ų | 47.6 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -35.5 | -179.8 | -44.2 | -159.1 | 66.8 | 0 | 0 | 110.9 | G107 A108 I112 F196 | G107-Q110 WeakPolarHBondContact O-CA 3.23Å; G107-Q110 WeakPolarHBondContact O-CB 3.47Å; G107-Q110 PolarHBondContact O-N 2.82Å; A108-Q110 VanDerWaalsContact C-N 3.33Å; Q110-I112 PolarHBondContact O-N 3.11Å; Q110-F196 WeakPolarHBondContact O-CE2 3.4Å; Q110-F196 VanDerWaalsContact O-CZ 3.31Å; Q110-F196 WeakPolarHBondContact O-CZ 3.48Å |
| 111 | N | 82.9 | Confident | 87.8 | Confident | 33 Ų | 33 | 51.5 Ų | 51.5 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -83.1 | 63.5 | -176 | -63.4 | 2.5 | 0 | 0 | 0 | 111.1 | G107 W113 D144 | G107-N111 PolarHBondContact O-N 2.65Å; G107-N111 VanDerWaalsContact O-N 3.12Å; N111-W113 HydrophobicContact CB-CH2 4.35Å; N111-W113 VanDerWaalsContact O-CZ3 3.3Å; N111-W113 WeakPolarHBondContact O-CZ3 3.14Å; N111-D144 WeakPolarHBondContact ND2-CA 3.13Å; N111-D144 PolarHBondContact ND2-O 2.63Å |
| 112 | I | 88.2 | Confident | 88.1 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | trans | -135.1 | 132.8 | -175.2 | -55 | 177.8 | 0 | 0 | 0 | 108.8 | Q110 Y135 L137 F196 I202 | Q110-I112 PolarHBondContact O-N 3.11Å; I112-Y135 HydrophobicContact CG2-CD1 3.87Å; I112-Y135 HydrophobicContact CG2-CG 4.34Å; I112-L137 HydrophobicContact CG2-CD2 4.36Å; I112-F196 VanDerWaalsContact O-CD2 3.26Å; I112-F196 WeakPolarHBondContact O-CD2 3.41Å; I112-I202 HydrophobicContact CD1-CD1 4.01Å; I112-I202 HydrophobicContact CD1-CG1 4.26Å; I112-I202 HydrophobicContact CG2-CD1 4.44Å; I112-I202 HydrophobicContact CG2-CG1 4.33Å | ||
| 113 | W | 91.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 116 | -179.3 | -62.8 | -98.4 | 0 | 0 | 0 | 110.2 | N111 Y135 I136 L143 E145 T146 L149 I194 A195 F196 | N111-W113 HydrophobicContact CB-CH2 4.35Å; N111-W113 VanDerWaalsContact O-CZ3 3.3Å; N111-W113 WeakPolarHBondContact O-CZ3 3.14Å; W113-Y135 CarbonylContact O-C 3.38Å; W113-Y135 WeakPolarHBondContact O-CA 3.49Å; W113-I136 HydrophobicContact CB-CB 4.26Å; W113-I136 PolarHBondContact N-O 2.84Å; W113-I136 PolarHBondContact O-N 3.49Å; W113-L143 HydrophobicContact CH2-CB 3.49Å; W113-L143 VanDerWaalsContact CH2-CB 3.49Å; W113-L143 HydrophobicContact CH2-CD1 4.44Å; W113-L143 HydrophobicContact CZ2-CB 4.28Å; W113-L143 HydrophobicContact CZ3-CB 4.03Å; W113-L143 HydrophobicContact CZ3-CD1 4.4Å; W113-E145 WeakPolarHBondContact CZ2-O 3.03Å; W113-T146 PolarHBondContact NE1-O 3.26Å; W113-L149 HydrophobicContact CB-CD2 3.68Å; W113-L149 HydrophobicContact CD2-CB 4.03Å; W113-L149 HydrophobicContact CD2-CD2 3.68Å; W113-L149 HydrophobicContact CD2-CG 4.49Å; W113-L149 HydrophobicContact CE3-CD2 4.22Å; W113-L149 HydrophobicContact CG-CB 4.37Å; W113-L149 HydrophobicContact CG-CD2 3.42Å; W113-L149 VanDerWaalsContact CG-CD2 3.42Å; W113-L149 HydrophobicContact CZ2-CB 4.06Å; W113-I194 HydrophobicContact CB-CG2 3.7Å; W113-I194 HydrophobicContact CG-CG2 4.22Å; W113-A195 CarbonylContact C-O 3.59Å; W113-A195 WeakPolarHBondContact CA-O 3.22Å; W113-F196 AromaticContact CD1-CD2 3.69Å; W113-F196 HydrophobicContact CD2-CD2 4.14Å; W113-F196 HydrophobicContact CD2-CE2 4.36Å; W113-F196 AromaticContact CE2-CD2 3.83Å; W113-F196 AromaticContact CE2-CE2 3.91Å; W113-F196 HydrophobicContact CG-CD2 4.04Å; W113-F196 HydrophobicContact CZ2-CD2 4.43Å; W113-F196 HydrophobicContact CZ2-CE2 4.07Å; W113-F196 AromaticContact NE1-CD2 3.55Å |
| 114 | H | 93.5 | Very high | 88.8 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 15% | 0.148 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 124.7 | 179.2 | -173.8 | -170.9 | 0 | 0 | 0 | 110.1 | L116 N132 Y135 A195 H200 | H114-L116 PolarHBondContact O-N 2.98Å; H114-N132 WeakPolarHBondContact NE2-CA 3.12Å; H114-N132 PolarHBondContact NE2-O 2.88Å; H114-Y135 HydrophobicContact CB-CD1 4.04Å; H114-Y135 HydrophobicContact CB-CE1 3.89Å; H114-Y135 AromaticContact CD2-CE1 3.76Å; H114-Y135 AromaticContact CD2-CE2 3.81Å; H114-Y135 AromaticContact CD2-CZ 3.56Å; H114-Y135 AromaticContact CG-CE1 3.68Å; H114-Y135 AromaticContact CG-CZ 3.88Å; H114-Y135 AromaticContact NE2-CE2 3.71Å; H114-Y135 AromaticContact NE2-CZ 3.72Å; H114-A195 PolarHBondContact N-O 2.83Å; H114-A195 PolarHBondContact O-N 2.8Å; H114-H200 HydrophobicContact CB-CB 3.71Å; H114-H200 AromaticContact CG-ND1 3.82Å; H114-H200 AromaticContact ND1-ND1 3.1Å; H114-H200 PolarHBondContact ND1-ND1 2.77Å; H114-H200 VanDerWaalsContact ND1-ND1 3.1Å |
| 115 | V | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 111.7 | 172.2 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | V118 L129 N132 D134 I136 C192 | V115-V118 HydrophobicContact CG1-CG2 3.54Å; V115-L129 HydrophobicContact CG1-CB 4.4Å; V115-L129 HydrophobicContact CG2-CD1 4.47Å; V115-N132 VanDerWaalsContact O-CA 3.27Å; V115-N132 WeakPolarHBondContact O-CA 3.46Å; V115-N132 PolarHBondContact O-N 3.36Å; V115-D134 HydrophobicContact CB-CB 4.11Å; V115-D134 WeakPolarHBondContact CB-O 3.46Å; V115-D134 HydrophobicContact CG2-CB 4.01Å; V115-D134 PolarHBondContact N-O 3.49Å; V115-I136 HydrophobicContact CG2-CD1 3.83Å; V115-I136 HydrophobicContact CG2-CG1 3.97Å; V115-C192 HydrophobicContact CG1-CB 4.48Å |
| 116 | L | 94.4 | Very high | 89.7 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -89.5 | -179.3 | -63 | -174.9 | 0 | 0 | 0 | 110.9 | H114 S131 N132 D193 A195 | H114-L116 PolarHBondContact O-N 2.98Å; L116-S131 CarbonylContact O-C 3.5Å; L116-S131 WeakPolarHBondContact O-CA 3.24Å; L116-S131 WeakPolarHBondContact O-CB 3.23Å; L116-N132 PolarHBondContact O-N 3.36Å; L116-D193 HydrophobicContact CB-CB 4.07Å; L116-D193 PolarHBondContact N-O 2.9Å; L116-A195 HydrophobicContact CD1-CB 3.62Å; L116-A195 HydrophobicContact CD2-CB 4.48Å; L116-A195 HydrophobicContact CG-CB 4Å |
| 117 | K | 94.8 | Very high | 90.3 | Very high | 109 Ų | 109 | 43.9 Ų | 43.9 | 47% | 0.474 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.6 | -177.8 | 178.1 | -170.9 | 174.2 | -168.9 | 0 | 110 | C192 D193 | K117-C192 CarbonylContact O-C 3.54Å; K117-C192 WeakPolarHBondContact O-CA 3.2Å; K117-C192 WeakPolarHBondContact O-CB 3.42Å; K117-D193 HydrophobicContact CB-CB 4.38Å; K117-D193 WeakPolarHBondContact CB-OD2 3.4Å; K117-D193 PolarHBondContact O-N 2.68Å |
| 118 | V | 96.2 | Very high | 91.3 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 13% | 0.127 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.1 | 173 | -176.2 | 0 | 0 | 0 | 0 | 109 | V115 A124 A125 L129 S131 C192 | V115-V118 HydrophobicContact CG1-CG2 3.54Å; V118-A124 HydrophobicContact CG1-CB 3.89Å; V118-A125 HydrophobicContact CG1-CB 3.86Å; V118-L129 HydrophobicContact CG2-CB 4.27Å; V118-S131 WeakPolarHBondContact CB-OG 3.41Å; V118-S131 PolarHBondContact N-OG 2.88Å; V118-C192 HydrophobicContact CB-CB 4.29Å; V118-C192 HydrophobicContact CG1-CB 4.4Å; V118-C192 HydrophobicContact CG2-CB 3.88Å |
| 119 | Q | 95.4 | Very high | 92.3 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 143.7 | 178.4 | -62.2 | -77.6 | 20.4 | 0 | 0 | 110.8 | S122 A125 W184 G191 | Q119-S122 WeakPolarHBondContact O-CB 3.36Å; Q119-S122 PolarHBondContact O-N 2.86Å; Q119-S122 PolarHBondContact O-OG 3.44Å; Q119-A125 WeakPolarHBondContact O-CB 3.26Å; Q119-W184 HydrophobicContact CB-CH2 3.66Å; Q119-W184 HydrophobicContact CB-CZ3 4.3Å; Q119-W184 HydrophobicContact CG-CH2 4.13Å; Q119-G191 WeakPolarHBondContact CB-O 3.42Å; Q119-G191 PolarHBondContact N-O 3.21Å |
| 120 | P | 94.2 | Very high | 93.1 | Very high | 99 Ų | 99 | 45.4 Ų | 45.4 | 64% | 0.643 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 143.9 | 177.6 | 27.6 | -34.8 | 0 | 0 | 0 | 111.2 | S122 | P120-S122 PolarHBondContact O-N 3.42Å; P120-S122 VanDerWaalsContact O-N 3.12Å |
| 121 | N | 93.7 | Very high | 93.9 | Very high | 142 Ų | 142 | 43.8 Ų | 43.8 | 76% | 0.759 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 11.2 | -176.9 | -51.9 | -37.7 | 0 | 0 | 0 | 115.6 | ||
| 122 | S | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -75.2 | 162.1 | 175.9 | 78.8 | 0 | 0 | 0 | 0 | 112.9 | Q119 P120 A124 A125 I126 W184 I190 G191 | Q119-S122 WeakPolarHBondContact O-CB 3.36Å; Q119-S122 PolarHBondContact O-N 2.86Å; Q119-S122 PolarHBondContact O-OG 3.44Å; P120-S122 PolarHBondContact O-N 3.42Å; P120-S122 VanDerWaalsContact O-N 3.12Å; S122-A124 PolarHBondContact O-N 2.81Å; S122-A124 PolarHBondContact OG-N 2.95Å; S122-A125 WeakPolarHBondContact O-CB 3.32Å; S122-A125 PolarHBondContact O-N 3.44Å; S122-A125 PolarHBondContact OG-N 2.88Å; S122-A125 VanDerWaalsContact OG-N 3.15Å; S122-I126 VanDerWaalsContact O-CG1 3.32Å; S122-I126 WeakPolarHBondContact O-CG1 3.14Å; S122-I126 PolarHBondContact O-N 2.9Å; S122-W184 VanDerWaalsContact CA-CE3 3.5Å; S122-W184 VanDerWaalsContact CB-CZ3 3.43Å; S122-I190 WeakPolarHBondContact CB-O 3.46Å; S122-I190 PolarHBondContact OG-O 2.82Å; S122-G191 WeakPolarHBondContact CB-O 3.44Å; S122-G191 PolarHBondContact OG-O 2.8Å |
| 123 | P | 95.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.5 | -34.8 | 170.7 | -27.3 | 34.7 | 0 | 0 | 0 | 113.7 | A127 L178 V179 N181 W184 I190 | P123-A127 VanDerWaalsContact O-CB 3.26Å; P123-A127 WeakPolarHBondContact O-CB 3.49Å; P123-A127 PolarHBondContact O-N 3.19Å; P123-L178 HydrophobicContact CB-CD1 4.4Å; P123-V179 WeakPolarHBondContact CB-O 3.42Å; P123-N181 HydrophobicContact CG-CB 4.1Å; P123-W184 HydrophobicContact CG-CB 4.09Å; P123-W184 HydrophobicContact CG-CG 4.19Å; P123-I190 WeakPolarHBondContact CD-O 3.45Å |
| 124 | A | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | V118 S122 A127 G128 L129 L178 I190 C192 | V118-A124 HydrophobicContact CG1-CB 3.89Å; S122-A124 PolarHBondContact O-N 2.81Å; S122-A124 PolarHBondContact OG-N 2.95Å; A124-A127 PolarHBondContact O-N 2.68Å; A124-G128 PolarHBondContact O-N 3.27Å; A124-L129 HydrophobicContact CB-CD1 3.95Å; A124-L129 WeakPolarHBondContact O-CB 3.38Å; A124-L129 PolarHBondContact O-N 2.92Å; A124-L178 HydrophobicContact CB-CD1 4.45Å; A124-I190 VanDerWaalsContact CB-O 3.23Å; A124-I190 WeakPolarHBondContact CB-O 3.35Å; A124-I190 PolarHBondContact N-O 3.36Å; A124-C192 HydrophobicContact CB-CB 3.66Å; A124-C192 VanDerWaalsContact CB-SG 3.52Å |
| 125 | A | 95.5 | Very high | 94.7 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 33% | 0.331 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V118 Q119 S122 A127 G128 | V118-A125 HydrophobicContact CG1-CB 3.86Å; Q119-A125 WeakPolarHBondContact O-CB 3.26Å; S122-A125 WeakPolarHBondContact O-CB 3.32Å; S122-A125 PolarHBondContact O-N 3.44Å; S122-A125 PolarHBondContact OG-N 2.88Å; S122-A125 VanDerWaalsContact OG-N 3.15Å; A125-A127 VanDerWaalsContact C-N 3.32Å; A125-A127 PolarHBondContact O-N 3.18Å; A125-G128 WeakPolarHBondContact O-CA 3.36Å; A125-G128 PolarHBondContact O-N 2.84Å |
| 126 | I | 94.9 | Very high | 94.6 | Very high | 139 Ų | 139 | 46.6 Ų | 46.6 | 71% | 0.713 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.9 | -35.5 | 177.4 | -66 | 163.6 | 0 | 0 | 0 | 111.1 | S122 G128 | S122-I126 VanDerWaalsContact O-CG1 3.32Å; S122-I126 WeakPolarHBondContact O-CG1 3.14Å; S122-I126 PolarHBondContact O-N 2.9Å; I126-G128 PolarHBondContact O-N 3Å |
| 127 | A | 95.1 | Very high | 94.2 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -11.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P123 A124 A125 V176 T177 L178 | P123-A127 VanDerWaalsContact O-CB 3.26Å; P123-A127 WeakPolarHBondContact O-CB 3.49Å; P123-A127 PolarHBondContact O-N 3.19Å; A124-A127 PolarHBondContact O-N 2.68Å; A125-A127 VanDerWaalsContact C-N 3.32Å; A125-A127 PolarHBondContact O-N 3.18Å; A127-V176 HydrophobicContact CB-CG1 3.78Å; A127-V176 WeakPolarHBondContact O-CG1 3.47Å; A127-T177 WeakPolarHBondContact CB-O 3.31Å; A127-L178 HydrophobicContact CB-CB 4.37Å; A127-L178 HydrophobicContact CB-CD1 3.83Å |
| 128 | G | 94.9 | Very high | 93.8 | Very high | 38 Ų | 38 | 40 Ų | 40 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 34.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A124 A125 I126 R174 | A124-G128 PolarHBondContact O-N 3.27Å; A125-G128 WeakPolarHBondContact O-CA 3.36Å; A125-G128 PolarHBondContact O-N 2.84Å; I126-G128 PolarHBondContact O-N 3Å; G128-R174 PolarHBondContact O-NH2 3.19Å |
| 129 | L | 95.4 | Very high | 93.1 | Very high | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -77.8 | 135.8 | 170.4 | -65.8 | 177.6 | 0 | 0 | 0 | 111.4 | V115 V118 A124 D134 V165 V176 | V115-L129 HydrophobicContact CG1-CB 4.4Å; V115-L129 HydrophobicContact CG2-CD1 4.47Å; V118-L129 HydrophobicContact CG2-CB 4.27Å; A124-L129 HydrophobicContact CB-CD1 3.95Å; A124-L129 WeakPolarHBondContact O-CB 3.38Å; A124-L129 PolarHBondContact O-N 2.92Å; L129-D134 WeakPolarHBondContact CA-OD2 3.42Å; L129-V165 HydrophobicContact CD2-CG1 4.16Å; L129-V165 HydrophobicContact CD2-CG2 3.91Å; L129-V176 HydrophobicContact CD2-CG1 4Å; L129-V176 HydrophobicContact CD2-CG2 4.31Å; L129-V176 HydrophobicContact CG-CG1 4.36Å |
| 130 | C | 95 | Very high | 92.1 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 37% | 0.372 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -102.6 | 126.5 | -176.3 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | N132 D134 | C130-N132 PolarHBondContact O-N 3.2Å; C130-D134 PolarHBondContact N-OD2 3.18Å; C130-D134 WeakPolarHBondContact O-CB 3.18Å; C130-D134 PolarHBondContact O-N 3.02Å |
| 131 | S | 94.5 | Very high | 91.3 | Very high | 47 Ų | 47 | 41 Ų | 41 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 133.1 | -179 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | L116 V118 S133 | L116-S131 CarbonylContact O-C 3.5Å; L116-S131 WeakPolarHBondContact O-CA 3.24Å; L116-S131 WeakPolarHBondContact O-CB 3.23Å; V118-S131 WeakPolarHBondContact CB-OG 3.41Å; V118-S131 PolarHBondContact N-OG 2.88Å; S131-S133 PolarHBondContact O-N 3.06Å; S131-S133 PolarHBondContact O-OG 2.93Å |
| 132 | N | 92.5 | Very high | 90.3 | Very high | 95 Ų | 95 | 36.7 Ų | 36.7 | 51% | 0.508 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | -9.9 | 179.7 | -48 | -78.2 | 0 | 0 | 0 | 116.9 | H114 V115 L116 C130 | H114-N132 WeakPolarHBondContact NE2-CA 3.12Å; H114-N132 PolarHBondContact NE2-O 2.88Å; V115-N132 VanDerWaalsContact O-CA 3.27Å; V115-N132 WeakPolarHBondContact O-CA 3.46Å; V115-N132 PolarHBondContact O-N 3.36Å; L116-N132 PolarHBondContact O-N 3.36Å; C130-N132 PolarHBondContact O-N 3.2Å |
| 133 | S | 93.2 | Very high | 89.4 | Confident | 27 Ų | 27 | 37.4 Ų | 37.4 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -22 | -174.1 | -46.9 | 0 | 0 | 0 | 0 | 112.8 | S131 N167 V168 D169 | S131-S133 PolarHBondContact O-N 3.06Å; S131-S133 PolarHBondContact O-OG 2.93Å; S133-N167 WeakPolarHBondContact O-CA 3.26Å; S133-V168 PolarHBondContact O-N 3.15Å; S133-D169 WeakPolarHBondContact CB-OD2 3.35Å; S133-D169 PolarHBondContact OG-OD2 2.93Å |
| 134 | D | 95.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 138.2 | -178.9 | -80.4 | -8.3 | 0 | 0 | 0 | 113.3 | V115 L129 C130 V165 Y166 N167 R174 | V115-D134 HydrophobicContact CB-CB 4.11Å; V115-D134 WeakPolarHBondContact CB-O 3.46Å; V115-D134 HydrophobicContact CG2-CB 4.01Å; V115-D134 PolarHBondContact N-O 3.49Å; L129-D134 WeakPolarHBondContact CA-OD2 3.42Å; C130-D134 PolarHBondContact N-OD2 3.18Å; C130-D134 WeakPolarHBondContact O-CB 3.18Å; C130-D134 PolarHBondContact O-N 3.02Å; D134-V165 HydrophobicContact CB-CG1 3.59Å; D134-V165 VanDerWaalsContact CG-CG1 3.5Å; D134-Y166 WeakPolarHBondContact CA-O 3.5Å; D134-N167 WeakPolarHBondContact OD1-CB 3.31Å; D134-N167 PolarHBondContact OD1-ND2 3.12Å; D134-R174 IonicContact OD1-CZ 2.99Å; D134-R174 IonicContact OD1-NH1 3.58Å; D134-R174 PolarHBondContact OD1-NH1 3.1Å; D134-R174 IonicContact OD1-NH2 3.09Å; D134-R174 PolarHBondContact OD1-NH2 2.93Å; D134-R174 IonicContact OD2-CZ 3.94Å; D134-R174 IonicContact OD2-NH1 2.65Å; D134-R174 PolarHBondContact OD2-NH1 3.41Å; D134-R174 IonicContact OD2-NH2 2.74Å; D134-R174 PolarHBondContact OD2-NH2 3.45Å |
| 135 | Y | 92.6 | Very high | 87.5 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 4% | 0.043 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 113.8 | 175.5 | -68.3 | -104 | 0 | 0 | 0 | 107.8 | I112 W113 H114 L137 V165 Y166 V168 H200 R201 I202 | I112-Y135 HydrophobicContact CG2-CD1 3.87Å; I112-Y135 HydrophobicContact CG2-CG 4.34Å; W113-Y135 CarbonylContact O-C 3.38Å; W113-Y135 WeakPolarHBondContact O-CA 3.49Å; H114-Y135 HydrophobicContact CB-CD1 4.04Å; H114-Y135 HydrophobicContact CB-CE1 3.89Å; H114-Y135 AromaticContact CD2-CE1 3.76Å; H114-Y135 AromaticContact CD2-CE2 3.81Å; H114-Y135 AromaticContact CD2-CZ 3.56Å; H114-Y135 AromaticContact CG-CE1 3.68Å; H114-Y135 AromaticContact CG-CZ 3.88Å; H114-Y135 AromaticContact NE2-CE2 3.71Å; H114-Y135 AromaticContact NE2-CZ 3.72Å; Y135-L137 WeakPolarHBondContact O-CG 2.98Å; Y135-V165 WeakPolarHBondContact O-CA 3.17Å; Y135-Y166 HydrophobicContact CD2-CD1 4.23Å; Y135-Y166 PolarHBondContact N-O 3.49Å; Y135-Y166 PolarHBondContact O-N 3.21Å; Y135-V168 HydrophobicContact CD2-CG2 3.91Å; Y135-V168 HydrophobicContact CE2-CG2 3.46Å; Y135-V168 VanDerWaalsContact CE2-CG2 3.46Å; Y135-H200 WeakPolarHBondContact CE1-O 3.44Å; Y135-R201 WeakPolarHBondContact CE1-O 3.37Å; Y135-I202 HydrophobicContact CD1-CG1 3.69Å; Y135-I202 HydrophobicContact CD2-CG1 4.23Å; Y135-I202 HydrophobicContact CE1-CG1 4.25Å; Y135-I202 HydrophobicContact CG-CD1 4.45Å; Y135-I202 HydrophobicContact CG-CG1 3.67Å |
| 136 | I | 92.2 | Very high | 86.5 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127 | 173.3 | -62.6 | 162 | 0 | 0 | 0 | 107.5 | W113 V115 L149 L163 V165 I194 | W113-I136 HydrophobicContact CB-CB 4.26Å; W113-I136 PolarHBondContact N-O 2.84Å; W113-I136 PolarHBondContact O-N 3.49Å; V115-I136 HydrophobicContact CG2-CD1 3.83Å; V115-I136 HydrophobicContact CG2-CG1 3.97Å; I136-L149 HydrophobicContact CB-CD2 4.42Å; I136-L149 HydrophobicContact CD1-CD2 4.06Å; I136-L149 HydrophobicContact CG2-CD1 4.32Å; I136-L149 HydrophobicContact CG2-CD2 4.02Å; I136-L163 HydrophobicContact CD1-CD1 4.2Å; I136-L163 HydrophobicContact CG2-CB 4.36Å; I136-L163 HydrophobicContact CG2-CD1 4.3Å; I136-L163 HydrophobicContact CG2-CD2 4.36Å; I136-V165 HydrophobicContact CG1-CG2 4.18Å; I136-I194 HydrophobicContact CD1-CD1 4.31Å |
| 137 | L | 87.1 | Confident | 85.9 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -17.8 | -170.3 | -53.4 | 178.4 | 0 | 0 | 0 | 113.2 | F36 I112 Y135 N164 V173 I202 | F36-L137 HydrophobicContact CB-CD1 3.62Å; F36-L137 HydrophobicContact CD1-CB 4.03Å; F36-L137 HydrophobicContact CD1-CD1 3.73Å; F36-L137 HydrophobicContact CD1-CD2 3.93Å; F36-L137 HydrophobicContact CD1-CG 4.11Å; F36-L137 HydrophobicContact CD2-CB 3.66Å; F36-L137 HydrophobicContact CD2-CD1 3.92Å; F36-L137 HydrophobicContact CD2-CG 4.37Å; F36-L137 HydrophobicContact CE1-CB 3.91Å; F36-L137 HydrophobicContact CE1-CD1 4.42Å; F36-L137 HydrophobicContact CE1-CD2 3.96Å; F36-L137 HydrophobicContact CE1-CG 4.32Å; F36-L137 HydrophobicContact CE2-CB 3.51Å; F36-L137 WeakPolarHBondContact CE2-O 3.29Å; F36-L137 HydrophobicContact CG-CB 3.93Å; F36-L137 HydrophobicContact CG-CD1 3.45Å; F36-L137 VanDerWaalsContact CG-CD1 3.45Å; F36-L137 HydrophobicContact CG-CD2 4.47Å; F36-L137 HydrophobicContact CG-CG 4.15Å; F36-L137 HydrophobicContact CZ-CB 3.66Å; F36-L137 WeakPolarHBondContact CZ-O 3.27Å; I112-L137 HydrophobicContact CG2-CD2 4.36Å; Y135-L137 WeakPolarHBondContact O-CG 2.98Å; L137-N164 HydrophobicContact CB-CB 4.29Å; L137-N164 WeakPolarHBondContact CB-O 3.46Å; L137-N164 PolarHBondContact N-O 3.02Å; L137-V173 HydrophobicContact CD1-CB 4.36Å; L137-V173 HydrophobicContact CD1-CG1 3.65Å; L137-V173 HydrophobicContact CD1-CG2 3.78Å; L137-I202 HydrophobicContact CD2-CD1 3.82Å |
| 138 | G | 85.6 | Confident | 85.5 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.3 | -175.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L163 N164 | G138-L163 CarbonylContact O-C 3.55Å; G138-L163 WeakPolarHBondContact O-CA 3.5Å; G138-N164 PolarHBondContact O-N 3.37Å |
| 139 | G | 81 | Confident | 85.2 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | -155.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S141 K162 | G139-S141 PolarHBondContact O-N 2.92Å; G139-K162 WeakPolarHBondContact CA-O 3.38Å |
| 140 | E | 76.1 | Confident | 84.8 | Confident | 125 Ų | 125 | 48.8 Ų | 48.8 | 58% | 0.584 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -70.1 | -15.7 | 175.6 | -73.9 | 173.2 | 128.9 | 0 | 0 | 113.7 | K162 | E140-K162 HydrophobicContact CG-CB 4.06Å; E140-K162 PolarHBondContact N-O 2.88Å; E140-K162 IonicContact OE1-NZ 2.75Å; E140-K162 PolarHBondContact OE1-NZ 3.43Å; E140-K162 IonicContact OE2-NZ 3.8Å |
| 141 | S | 77.1 | Confident | 84.5 | Confident | 58 Ų | 58 | 49 Ų | 49 | 41% | 0.406 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -101.1 | 152.1 | 167.6 | -57.8 | 0 | 0 | 0 | 0 | 110.5 | G139 L143 | G139-S141 PolarHBondContact O-N 2.92Å; S141-L143 PolarHBondContact O-N 2.92Å |
| 142 | S | 72.9 | Confident | 84.2 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | trans | -59.5 | 135.4 | 161.1 | -44.5 | 0 | 0 | 0 | 0 | 108.7 | R101 D144 | R101-S142 PolarHBondContact NH1-OG 2.99Å; R101-S142 PolarHBondContact NH2-OG 2.65Å; S142-D144 WeakPolarHBondContact CB-OD2 3.11Å | ||
| 143 | L | 76.2 | Confident | 84.1 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | trans | -129 | 94.6 | 174.6 | -56.6 | 178.8 | 0 | 0 | 0 | 105.3 | W113 S141 D148 L149 L152 | W113-L143 HydrophobicContact CH2-CB 3.49Å; W113-L143 VanDerWaalsContact CH2-CB 3.49Å; W113-L143 HydrophobicContact CH2-CD1 4.44Å; W113-L143 HydrophobicContact CZ2-CB 4.28Å; W113-L143 HydrophobicContact CZ3-CB 4.03Å; W113-L143 HydrophobicContact CZ3-CD1 4.4Å; S141-L143 PolarHBondContact O-N 2.92Å; L143-D148 HydrophobicContact CB-CB 4.04Å; L143-D148 HydrophobicContact CD2-CB 3.66Å; L143-D148 HydrophobicContact CG-CB 4.45Å; L143-L149 HydrophobicContact CD1-CB 4.14Å; L143-L149 HydrophobicContact CD1-CD1 3.83Å; L143-L152 HydrophobicContact CD1-CD2 4.47Å; L143-L152 HydrophobicContact CD2-CB 4.3Å; L143-L152 HydrophobicContact CD2-CD2 4.01Å | ||
| 144 | D | 73.5 | Confident | 83.8 | Confident | 98 Ų | 98 | 49.4 Ų | 49.4 | 52% | 0.524 | 27% | 0.273 | S | S | . | . | trans | -109.2 | -20.7 | -166.3 | -61.1 | -45.1 | 0 | 0 | 0 | 111.8 | N111 S142 D148 | N111-D144 WeakPolarHBondContact ND2-CA 3.13Å; N111-D144 PolarHBondContact ND2-O 2.63Å; S142-D144 WeakPolarHBondContact CB-OD2 3.11Å; D144-D148 PolarHBondContact N-OD2 2.94Å | ||
| 145 | E | 77.1 | Confident | 83.4 | Confident | 130 Ų | 130 | 53.5 Ų | 53.5 | 61% | 0.607 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -113.4 | 153.3 | 171 | -64.9 | -167.4 | -169.2 | 0 | 0 | 113.4 | W113 N147 D148 | W113-E145 WeakPolarHBondContact CZ2-O 3.03Å; E145-N147 PolarHBondContact O-N 3Å; E145-D148 PolarHBondContact N-OD2 3Å; E145-D148 WeakPolarHBondContact O-CB 3.35Å; E145-D148 PolarHBondContact O-N 3.01Å |
| 146 | T | 74.8 | Confident | 83.1 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.1 | -41 | 175.6 | -52.3 | 0 | 0 | 0 | 0 | 114.8 | W113 F196 | W113-T146 PolarHBondContact NE1-O 3.26Å; T146-F196 HydrophobicContact CG2-CB 4.11Å; T146-F196 HydrophobicContact CG2-CD1 3.52Å; T146-F196 HydrophobicContact CG2-CD2 4.48Å; T146-F196 HydrophobicContact CG2-CE1 4.03Å; T146-F196 HydrophobicContact CG2-CG 3.79Å; T146-F196 WeakPolarHBondContact OG1-CD1 3.12Å; T146-F196 WeakPolarHBondContact OG1-CE1 3.48Å |
| 147 | N | 82.1 | Confident | 82.5 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7.1 | -171.1 | -63.4 | -48.6 | 0 | 0 | 0 | 113.5 | E145 L149 I150 S151 | E145-N147 PolarHBondContact O-N 3Å; N147-L149 PolarHBondContact O-N 3.03Å; N147-I150 PolarHBondContact O-N 3.48Å; N147-S151 WeakPolarHBondContact O-CB 3.44Å; N147-S151 PolarHBondContact O-N 3.32Å; N147-S151 PolarHBondContact O-OG 2.76Å |
| 148 | D | 87.3 | Confident | 82.4 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | -174.7 | -71.1 | -16.9 | 0 | 0 | 0 | 111.6 | L143 D144 E145 I150 S151 L152 | L143-D148 HydrophobicContact CB-CB 4.04Å; L143-D148 HydrophobicContact CD2-CB 3.66Å; L143-D148 HydrophobicContact CG-CB 4.45Å; D144-D148 PolarHBondContact N-OD2 2.94Å; E145-D148 PolarHBondContact N-OD2 3Å; E145-D148 WeakPolarHBondContact O-CB 3.35Å; E145-D148 PolarHBondContact O-N 3.01Å; D148-I150 VanDerWaalsContact C-N 3.31Å; D148-I150 PolarHBondContact O-N 3.26Å; D148-S151 PolarHBondContact O-N 2.83Å; D148-L152 VanDerWaalsContact O-CB 3.31Å; D148-L152 WeakPolarHBondContact O-CB 3.35Å; D148-L152 PolarHBondContact O-N 2.91Å |
| 149 | L | 87.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 176.8 | -178.9 | 62.1 | 0 | 0 | 0 | 111.5 | W113 I136 L143 N147 I153 L163 I194 | W113-L149 HydrophobicContact CB-CD2 3.68Å; W113-L149 HydrophobicContact CD2-CB 4.03Å; W113-L149 HydrophobicContact CD2-CD2 3.68Å; W113-L149 HydrophobicContact CD2-CG 4.49Å; W113-L149 HydrophobicContact CE3-CD2 4.22Å; W113-L149 HydrophobicContact CG-CB 4.37Å; W113-L149 HydrophobicContact CG-CD2 3.42Å; W113-L149 VanDerWaalsContact CG-CD2 3.42Å; W113-L149 HydrophobicContact CZ2-CB 4.06Å; I136-L149 HydrophobicContact CB-CD2 4.42Å; I136-L149 HydrophobicContact CD1-CD2 4.06Å; I136-L149 HydrophobicContact CG2-CD1 4.32Å; I136-L149 HydrophobicContact CG2-CD2 4.02Å; L143-L149 HydrophobicContact CD1-CB 4.14Å; L143-L149 HydrophobicContact CD1-CD1 3.83Å; N147-L149 PolarHBondContact O-N 3.03Å; L149-I153 HydrophobicContact CD1-CD1 3.93Å; L149-I153 HydrophobicContact CD1-CG1 4.4Å; L149-I153 HydrophobicContact CG-CD1 3.93Å; L149-I153 WeakPolarHBondContact O-CB 3.48Å; L149-I153 WeakPolarHBondContact O-CD1 3.34Å; L149-I153 WeakPolarHBondContact O-CG1 3.2Å; L149-I153 PolarHBondContact O-N 2.8Å; L149-L163 HydrophobicContact CD1-CD1 4.44Å; L149-L163 HydrophobicContact CD1-CD2 3.91Å; L149-I194 HydrophobicContact CD2-CD1 4.25Å |
| 150 | I | 87.9 | Confident | 83.2 | Confident | 77 Ų | 77 | 67.2 Ų | 67.2 | 40% | 0.395 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 178.3 | -57.5 | 175.5 | 0 | 0 | 0 | 109.7 | N147 D148 I153 Q154 | N147-I150 PolarHBondContact O-N 3.48Å; D148-I150 VanDerWaalsContact C-N 3.31Å; D148-I150 PolarHBondContact O-N 3.26Å; I150-I153 PolarHBondContact O-N 3.13Å; I150-Q154 HydrophobicContact CG2-CG 4.5Å; I150-Q154 WeakPolarHBondContact O-CB 3.42Å; I150-Q154 WeakPolarHBondContact O-CG 3.42Å; I150-Q154 PolarHBondContact O-N 3.19Å |
| 151 | S | 88.7 | Confident | 84 | Confident | 61 Ų | 61 | 62.1 Ų | 62.1 | 43% | 0.427 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.2 | -39.3 | -179.7 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | N147 D148 S155 | N147-S151 WeakPolarHBondContact O-CB 3.44Å; N147-S151 PolarHBondContact O-N 3.32Å; N147-S151 PolarHBondContact O-OG 2.76Å; D148-S151 PolarHBondContact O-N 2.83Å; S151-S155 VanDerWaalsContact O-CB 3.27Å; S151-S155 WeakPolarHBondContact O-CB 3.47Å; S151-S155 PolarHBondContact O-N 3.4Å; S151-S155 PolarHBondContact O-OG 2.96Å |
| 152 | L | 88.7 | Confident | 84.7 | Confident | 30 Ų | 30 | 63 Ų | 63 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 172.3 | 179.4 | 64.3 | 0 | 0 | 0 | 111.1 | L143 D148 S155 S156 L161 | L143-L152 HydrophobicContact CD1-CD2 4.47Å; L143-L152 HydrophobicContact CD2-CB 4.3Å; L143-L152 HydrophobicContact CD2-CD2 4.01Å; D148-L152 VanDerWaalsContact O-CB 3.31Å; D148-L152 WeakPolarHBondContact O-CB 3.35Å; D148-L152 PolarHBondContact O-N 2.91Å; L152-S155 PolarHBondContact O-N 2.97Å; L152-S155 PolarHBondContact O-OG 2.9Å; L152-S156 VanDerWaalsContact O-CB 3.31Å; L152-S156 WeakPolarHBondContact O-CB 3.5Å; L152-S156 PolarHBondContact O-N 2.87Å; L152-L161 HydrophobicContact CD1-CD2 3.87Å; L152-L161 HydrophobicContact CD2-CD1 4.32Å; L152-L161 HydrophobicContact CD2-CD2 4.23Å; L152-L161 HydrophobicContact CG-CD1 3.95Å; L152-L161 HydrophobicContact CG-CD2 3.91Å |
| 153 | I | 89.2 | Confident | 85.6 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 6% | 0.062 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 178.4 | -74 | 169.6 | 0 | 0 | 0 | 111 | L149 I150 S156 L161 L178 P180 I190 | L149-I153 HydrophobicContact CD1-CD1 3.93Å; L149-I153 HydrophobicContact CD1-CG1 4.4Å; L149-I153 HydrophobicContact CG-CD1 3.93Å; L149-I153 WeakPolarHBondContact O-CB 3.48Å; L149-I153 WeakPolarHBondContact O-CD1 3.34Å; L149-I153 WeakPolarHBondContact O-CG1 3.2Å; L149-I153 PolarHBondContact O-N 2.8Å; I150-I153 PolarHBondContact O-N 3.13Å; I153-S156 PolarHBondContact O-N 3.26Å; I153-S156 PolarHBondContact O-OG 3.31Å; I153-L161 HydrophobicContact CG1-CD1 3.93Å; I153-L178 HydrophobicContact CD1-CD2 4.27Å; I153-P180 HydrophobicContact CB-CG 4.48Å; I153-P180 HydrophobicContact CG1-CG 4.44Å; I153-P180 HydrophobicContact CG2-CB 4.02Å; I153-P180 HydrophobicContact CG2-CG 3.98Å; I153-I190 HydrophobicContact CD1-CD1 4.03Å; I153-I190 HydrophobicContact CD1-CG2 4.47Å; I153-I190 HydrophobicContact CG2-CG2 3.59Å |
| 154 | Q | 87.2 | Confident | 86.2 | Confident | 135 Ų | 135 | 61.4 Ų | 61.4 | 63% | 0.631 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.3 | -43.7 | 177.6 | -71.3 | 177.7 | 3.9 | 0 | 0 | 112.6 | I150 S156 | I150-Q154 HydrophobicContact CG2-CG 4.5Å; I150-Q154 WeakPolarHBondContact O-CB 3.42Å; I150-Q154 WeakPolarHBondContact O-CG 3.42Å; I150-Q154 PolarHBondContact O-N 3.19Å; Q154-S156 VanDerWaalsContact C-N 3.33Å; Q154-S156 PolarHBondContact O-N 2.94Å |
| 155 | S | 88.2 | Confident | 87.2 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 60% | 0.601 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -76.2 | -15.9 | -179.7 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | S151 L152 G157 | S151-S155 VanDerWaalsContact O-CB 3.27Å; S151-S155 WeakPolarHBondContact O-CB 3.47Å; S151-S155 PolarHBondContact O-N 3.4Å; S151-S155 PolarHBondContact O-OG 2.96Å; L152-S155 PolarHBondContact O-N 2.97Å; L152-S155 PolarHBondContact O-OG 2.9Å; S155-G157 VanDerWaalsContact C-N 3.35Å; S155-G157 PolarHBondContact O-N 2.92Å |
| 156 | S | 86.2 | Confident | 87.9 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 177.9 | 73 | 0 | 0 | 0 | 0 | 113.4 | L152 I153 Q154 G158 K159 P180 | L152-S156 VanDerWaalsContact O-CB 3.31Å; L152-S156 WeakPolarHBondContact O-CB 3.5Å; L152-S156 PolarHBondContact O-N 2.87Å; I153-S156 PolarHBondContact O-N 3.26Å; I153-S156 PolarHBondContact O-OG 3.31Å; Q154-S156 VanDerWaalsContact C-N 3.33Å; Q154-S156 PolarHBondContact O-N 2.94Å; S156-G158 PolarHBondContact O-N 1.92Å; S156-K159 WeakPolarHBondContact O-CB 3.4Å; S156-K159 WeakPolarHBondContact O-CD 3.23Å; S156-K159 WeakPolarHBondContact O-CG 3.37Å; S156-K159 PolarHBondContact O-N 3.09Å; S156-K159 VanDerWaalsContact O-N 3.09Å; S156-P180 VanDerWaalsContact OG-CG 3.31Å; S156-P180 WeakPolarHBondContact OG-CG 3.21Å |
| 157 | G | 78.1 | Confident | 88.7 | Confident | 72 Ų | 72 | 48 Ų | 48 | 74% | 0.742 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 44.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S155 | S155-G157 VanDerWaalsContact C-N 3.35Å; S155-G157 PolarHBondContact O-N 2.92Å |
| 158 | G | 85.8 | Confident | 89.1 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -2.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S156 V179 P180 | S156-G158 PolarHBondContact O-N 1.92Å; G158-V179 WeakPolarHBondContact O-CG1 3.35Å; G158-P180 WeakPolarHBondContact CA-O 3.44Å; G158-P180 PolarHBondContact N-O 2.81Å; G158-P180 VanDerWaalsContact N-O 3.17Å |
| 159 | K | 91.7 | Very high | 89.2 | Confident | 134 Ų | 134 | 47.2 Ų | 47.2 | 58% | 0.583 | 28% | 0.281 | S | S | * | . | trans | -76.1 | 145.1 | 174.3 | -67.1 | 166.3 | -168 | 161.4 | 0 | 111.4 | S156 L161 P180 | S156-K159 WeakPolarHBondContact O-CB 3.4Å; S156-K159 WeakPolarHBondContact O-CD 3.23Å; S156-K159 WeakPolarHBondContact O-CG 3.37Å; S156-K159 PolarHBondContact O-N 3.09Å; S156-K159 VanDerWaalsContact O-N 3.09Å; K159-L161 PolarHBondContact O-N 3.25Å; K159-P180 WeakPolarHBondContact O-CD 3.22Å | ||
| 160 | P | 92.5 | Very high | 89.3 | Confident | 83 Ų | 83 | 51.3 Ų | 51.3 | 54% | 0.539 | 31% | 0.307 | S | S | . | . | trans | -64.8 | 129.4 | 167 | 28 | -33.2 | 0 | 0 | 0 | 110.4 | T177 L178 V179 | P160-T177 HydrophobicContact CB-CG2 3.62Å; P160-L178 WeakPolarHBondContact CA-O 3.31Å; P160-V179 HydrophobicContact CB-CG2 4.15Å | ||
| 161 | L | 92 | Very high | 89.2 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.4 | 171.5 | -63.6 | 177.5 | 0 | 0 | 0 | 108.5 | L152 I153 K159 T177 L178 P180 | L152-L161 HydrophobicContact CD1-CD2 3.87Å; L152-L161 HydrophobicContact CD2-CD1 4.32Å; L152-L161 HydrophobicContact CD2-CD2 4.23Å; L152-L161 HydrophobicContact CG-CD1 3.95Å; L152-L161 HydrophobicContact CG-CD2 3.91Å; I153-L161 HydrophobicContact CG1-CD1 3.93Å; K159-L161 PolarHBondContact O-N 3.25Å; L161-T177 WeakPolarHBondContact O-CA 3.3Å; L161-L178 PolarHBondContact N-O 3.47Å; L161-L178 PolarHBondContact O-N 2.79Å; L161-P180 HydrophobicContact CD1-CG 3.94Å |
| 162 | K | 91.9 | Very high | 89 | Confident | 75 Ų | 75 | 49.5 Ų | 49.5 | 33% | 0.326 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 127.3 | 167.4 | -52.4 | -163.5 | -158.7 | 101.5 | 0 | 110.2 | G139 E140 E175 V176 | G139-K162 WeakPolarHBondContact CA-O 3.38Å; E140-K162 HydrophobicContact CG-CB 4.06Å; E140-K162 PolarHBondContact N-O 2.88Å; E140-K162 IonicContact OE1-NZ 2.75Å; E140-K162 PolarHBondContact OE1-NZ 3.43Å; E140-K162 IonicContact OE2-NZ 3.8Å; K162-E175 HydrophobicContact CB-CG 4.25Å; K162-E175 HydrophobicContact CD-CG 4.18Å; K162-E175 WeakPolarHBondContact CD-OE1 3.23Å; K162-V176 WeakPolarHBondContact CA-O 3.47Å |
| 163 | L | 91.3 | Very high | 89 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138.8 | 176.5 | -60.4 | 178.1 | 0 | 0 | 0 | 109.2 | I136 G138 L149 V165 V176 L178 | I136-L163 HydrophobicContact CD1-CD1 4.2Å; I136-L163 HydrophobicContact CG2-CB 4.36Å; I136-L163 HydrophobicContact CG2-CD1 4.3Å; I136-L163 HydrophobicContact CG2-CD2 4.36Å; G138-L163 CarbonylContact O-C 3.55Å; G138-L163 WeakPolarHBondContact O-CA 3.5Å; L149-L163 HydrophobicContact CD1-CD1 4.44Å; L149-L163 HydrophobicContact CD1-CD2 3.91Å; L163-V165 HydrophobicContact CB-CG2 4.26Å; L163-V176 PolarHBondContact N-O 3.28Å; L163-V176 PolarHBondContact O-N 3.09Å; L163-L178 HydrophobicContact CD1-CB 4.17Å; L163-L178 HydrophobicContact CD1-CD2 3.79Å |
| 164 | N | 89.9 | Confident | 89.1 | Confident | 33 Ų | 33 | 53 Ų | 53 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.3 | 168.8 | -70.3 | -60.8 | 0 | 0 | 0 | 108.4 | L137 G138 V173 | L137-N164 HydrophobicContact CB-CB 4.29Å; L137-N164 WeakPolarHBondContact CB-O 3.46Å; L137-N164 PolarHBondContact N-O 3.02Å; G138-N164 PolarHBondContact O-N 3.37Å; N164-V173 HydrophobicContact CB-CG1 4.29Å |
| 165 | V | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 116.3 | -172.6 | -174 | 0 | 0 | 0 | 0 | 109.7 | L129 D134 Y135 I136 L163 V173 R174 V176 | L129-V165 HydrophobicContact CD2-CG1 4.16Å; L129-V165 HydrophobicContact CD2-CG2 3.91Å; D134-V165 HydrophobicContact CB-CG1 3.59Å; D134-V165 VanDerWaalsContact CG-CG1 3.5Å; Y135-V165 WeakPolarHBondContact O-CA 3.17Å; I136-V165 HydrophobicContact CG1-CG2 4.18Å; L163-V165 HydrophobicContact CB-CG2 4.26Å; V165-V173 WeakPolarHBondContact O-CA 3.46Å; V165-R174 PolarHBondContact N-O 2.79Å; V165-R174 PolarHBondContact O-N 3.12Å; V165-V176 HydrophobicContact CB-CG2 4.04Å; V165-V176 HydrophobicContact CG2-CB 3.87Å; V165-V176 HydrophobicContact CG2-CG2 3.67Å |
| 166 | Y | 91.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 136 | 168.5 | 169.4 | -102.6 | 0 | 0 | 0 | 109.5 | F37 K75 D134 Y135 V168 D171 S172 V173 I202 | F37-Y166 AromaticContact CE2-CD2 3.61Å; F37-Y166 HydrophobicContact CE2-CD2 3.61Å; F37-Y166 AromaticContact CE2-CE2 3.67Å; F37-Y166 HydrophobicContact CE2-CE2 3.67Å; F37-Y166 HydrophobicContact CE2-CG 4.43Å; F37-Y166 HydrophobicContact CZ-CD1 4.42Å; F37-Y166 AromaticContact CZ-CD2 3.47Å; F37-Y166 HydrophobicContact CZ-CD2 3.47Å; F37-Y166 VanDerWaalsContact CZ-CD2 3.47Å; F37-Y166 AromaticContact CZ-CE2 3.66Å; F37-Y166 HydrophobicContact CZ-CE2 3.66Å; F37-Y166 AromaticContact CZ-CG 3.85Å; F37-Y166 HydrophobicContact CZ-CG 3.85Å; K75-Y166 PolarHBondContact NZ-OH 2.83Å; K75-Y166 VanDerWaalsContact NZ-OH 3.15Å; D134-Y166 WeakPolarHBondContact CA-O 3.5Å; Y135-Y166 HydrophobicContact CD2-CD1 4.23Å; Y135-Y166 PolarHBondContact N-O 3.49Å; Y135-Y166 PolarHBondContact O-N 3.21Å; Y166-V168 HydrophobicContact CD1-CG2 4.39Å; Y166-V168 HydrophobicContact CE1-CB 4.48Å; Y166-V168 HydrophobicContact CE1-CG2 3.71Å; Y166-D171 PolarHBondContact OH-OD1 2.93Å; Y166-S172 WeakPolarHBondContact CA-O 3.33Å; Y166-V173 HydrophobicContact CD2-CG2 4.28Å; Y166-I202 HydrophobicContact CD1-CD1 3.48Å; Y166-I202 VanDerWaalsContact CD1-CD1 3.48Å; Y166-I202 HydrophobicContact CD1-CG1 3.81Å; Y166-I202 HydrophobicContact CD1-CG2 4.24Å; Y166-I202 HydrophobicContact CE1-CB 4.46Å; Y166-I202 HydrophobicContact CE1-CD1 3.98Å; Y166-I202 HydrophobicContact CE1-CG1 4.03Å; Y166-I202 HydrophobicContact CE1-CG2 3.61Å; Y166-I202 HydrophobicContact CG-CD1 3.94Å |
| 167 | N | 92.7 | Very high | 89.9 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.8 | 172.4 | 179.5 | -91.8 | 0 | 0 | 0 | 110.5 | S133 D134 D169 T170 D171 S172 | S133-N167 WeakPolarHBondContact O-CA 3.26Å; D134-N167 WeakPolarHBondContact OD1-CB 3.31Å; D134-N167 PolarHBondContact OD1-ND2 3.12Å; N167-D169 WeakPolarHBondContact OD1-CB 3.2Å; N167-D169 PolarHBondContact OD1-N 3.01Å; N167-T170 PolarHBondContact OD1-N 3.22Å; N167-T170 PolarHBondContact OD1-OG1 3.33Å; N167-D171 VanDerWaalsContact O-CA 3.29Å; N167-D171 WeakPolarHBondContact O-CA 3.4Å; N167-D171 PolarHBondContact O-N 2.95Å; N167-S172 PolarHBondContact N-O 2.85Å; N167-S172 PolarHBondContact O-N 3.4Å |
| 168 | V | 90 | Very high | 90.7 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -38.9 | -178.3 | 168.9 | 0 | 0 | 0 | 0 | 112.7 | S133 Y135 Y166 V206 | S133-V168 PolarHBondContact O-N 3.15Å; Y135-V168 HydrophobicContact CD2-CG2 3.91Å; Y135-V168 HydrophobicContact CE2-CG2 3.46Å; Y135-V168 VanDerWaalsContact CE2-CG2 3.46Å; Y166-V168 HydrophobicContact CD1-CG2 4.39Å; Y166-V168 HydrophobicContact CE1-CB 4.48Å; Y166-V168 HydrophobicContact CE1-CG2 3.71Å; V168-V206 HydrophobicContact CG1-CG1 3.91Å; V168-V206 HydrophobicContact CG1-CG2 4.07Å |
| 169 | D | 90.2 | Very high | 91.1 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -37.2 | -174.4 | -52.8 | -61.3 | 0 | 0 | 0 | 112.3 | S133 N167 | S133-D169 WeakPolarHBondContact CB-OD2 3.35Å; S133-D169 PolarHBondContact OG-OD2 2.93Å; N167-D169 WeakPolarHBondContact OD1-CB 3.2Å; N167-D169 PolarHBondContact OD1-N 3.01Å |
| 170 | T | 88.6 | Confident | 91.1 | Very high | 86 Ų | 86 | 42.6 Ų | 42.6 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -4 | 178.1 | 66.1 | 0 | 0 | 0 | 0 | 113.7 | N167 S172 | N167-T170 PolarHBondContact OD1-N 3.22Å; N167-T170 PolarHBondContact OD1-OG1 3.33Å; T170-S172 WeakPolarHBondContact O-CB 3.19Å; T170-S172 PolarHBondContact O-N 3.35Å; T170-S172 PolarHBondContact O-OG 2.96Å |
| 171 | D | 85.4 | Confident | 91.2 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 20% | 0.203 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 28.6 | -173.8 | -167.1 | 57.6 | 0 | 0 | 0 | 114.3 | K75 Y166 N167 R208 | K75-D171 IonicContact NZ-OD1 3.36Å; K75-D171 PolarHBondContact NZ-OD1 2.92Å; K75-D171 IonicContact NZ-OD2 3.46Å; Y166-D171 PolarHBondContact OH-OD1 2.93Å; N167-D171 VanDerWaalsContact O-CA 3.29Å; N167-D171 WeakPolarHBondContact O-CA 3.4Å; N167-D171 PolarHBondContact O-N 2.95Å; D171-R208 IonicContact OD1-CZ 2.8Å; D171-R208 IonicContact OD1-NH1 2.68Å; D171-R208 IonicContact OD1-NH2 3.58Å; D171-R208 PolarHBondContact OD1-NH2 2.85Å; D171-R208 IonicContact OD2-CZ 3.42Å; D171-R208 IonicContact OD2-NH1 3.49Å; D171-R208 PolarHBondContact OD2-NH1 3.24Å; D171-R208 IonicContact OD2-NH2 2.68Å; D171-R208 PolarHBondContact OD2-NH2 3.01Å |
| 172 | S | 85.9 | Confident | 91.1 | Very high | 62 Ų | 62 | 45.5 Ų | 45.5 | 43% | 0.434 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.4 | -166 | -64.7 | 0 | 0 | 0 | 0 | 111.4 | Y166 N167 T170 | Y166-S172 WeakPolarHBondContact CA-O 3.33Å; N167-S172 PolarHBondContact N-O 2.85Å; N167-S172 PolarHBondContact O-N 3.4Å; T170-S172 WeakPolarHBondContact O-CB 3.19Å; T170-S172 PolarHBondContact O-N 3.35Å; T170-S172 PolarHBondContact O-OG 2.96Å |
| 173 | V | 88.5 | Confident | 91 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 126.8 | 172.3 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | A35 F36 F37 L137 N164 V165 Y166 | A35-V173 HydrophobicContact CB-CB 4.3Å; A35-V173 HydrophobicContact CB-CG2 4.45Å; F36-V173 HydrophobicContact CB-CG2 4.07Å; F37-V173 HydrophobicContact CE2-CG2 4.37Å; L137-V173 HydrophobicContact CD1-CB 4.36Å; L137-V173 HydrophobicContact CD1-CG1 3.65Å; L137-V173 HydrophobicContact CD1-CG2 3.78Å; N164-V173 HydrophobicContact CB-CG1 4.29Å; V165-V173 WeakPolarHBondContact O-CA 3.46Å; Y166-V173 HydrophobicContact CD2-CG2 4.28Å |
| 174 | R | 90.4 | Very high | 91.1 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 147.7 | 176.2 | 72.1 | -171.1 | -167.1 | -76.4 | 8 | 111.4 | G128 D134 V165 V176 | G128-R174 PolarHBondContact O-NH2 3.19Å; D134-R174 IonicContact OD1-CZ 2.99Å; D134-R174 IonicContact OD1-NH1 3.58Å; D134-R174 PolarHBondContact OD1-NH1 3.1Å; D134-R174 IonicContact OD1-NH2 3.09Å; D134-R174 PolarHBondContact OD1-NH2 2.93Å; D134-R174 IonicContact OD2-CZ 3.94Å; D134-R174 IonicContact OD2-NH1 2.65Å; D134-R174 PolarHBondContact OD2-NH1 3.41Å; D134-R174 IonicContact OD2-NH2 2.74Å; D134-R174 PolarHBondContact OD2-NH2 3.45Å; V165-R174 PolarHBondContact N-O 2.79Å; V165-R174 PolarHBondContact O-N 3.12Å; R174-V176 HydrophobicContact CG-CG2 4.05Å |
| 175 | E | 90.8 | Very high | 91.1 | Very high | 108 Ų | 108 | 50.9 Ų | 50.9 | 51% | 0.505 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 127.8 | 171.4 | -171.8 | 179.3 | 89.2 | 0 | 0 | 109 | K162 | K162-E175 HydrophobicContact CB-CG 4.25Å; K162-E175 HydrophobicContact CD-CG 4.18Å; K162-E175 WeakPolarHBondContact CD-OE1 3.23Å |
| 176 | V | 93.9 | Very high | 91 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.3 | 179.2 | 170.8 | 0 | 0 | 0 | 0 | 108.7 | A127 L129 K162 L163 V165 R174 | A127-V176 HydrophobicContact CB-CG1 3.78Å; A127-V176 WeakPolarHBondContact O-CG1 3.47Å; L129-V176 HydrophobicContact CD2-CG1 4Å; L129-V176 HydrophobicContact CD2-CG2 4.31Å; L129-V176 HydrophobicContact CG-CG1 4.36Å; K162-V176 WeakPolarHBondContact CA-O 3.47Å; L163-V176 PolarHBondContact N-O 3.28Å; L163-V176 PolarHBondContact O-N 3.09Å; V165-V176 HydrophobicContact CB-CG2 4.04Å; V165-V176 HydrophobicContact CG2-CB 3.87Å; V165-V176 HydrophobicContact CG2-CG2 3.67Å; R174-V176 HydrophobicContact CG-CG2 4.05Å |
| 177 | T | 94.8 | Very high | 90.9 | Very high | 68 Ų | 68 | 59.8 Ų | 59.8 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 104.8 | 172.4 | -59.8 | 0 | 0 | 0 | 0 | 109.7 | A127 P160 L161 | A127-T177 WeakPolarHBondContact CB-O 3.31Å; P160-T177 HydrophobicContact CB-CG2 3.62Å; L161-T177 WeakPolarHBondContact O-CA 3.3Å |
| 178 | L | 94 | Very high | 90.8 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.6 | 175.6 | -177.5 | 63.3 | 0 | 0 | 0 | 109.6 | P123 A124 A127 I153 P160 L161 L163 P180 I190 | P123-L178 HydrophobicContact CB-CD1 4.4Å; A124-L178 HydrophobicContact CB-CD1 4.45Å; A127-L178 HydrophobicContact CB-CB 4.37Å; A127-L178 HydrophobicContact CB-CD1 3.83Å; I153-L178 HydrophobicContact CD1-CD2 4.27Å; P160-L178 WeakPolarHBondContact CA-O 3.31Å; L161-L178 PolarHBondContact N-O 3.47Å; L161-L178 PolarHBondContact O-N 2.79Å; L163-L178 HydrophobicContact CD1-CB 4.17Å; L163-L178 HydrophobicContact CD1-CD2 3.79Å; L178-P180 HydrophobicContact CG-CG 4.37Å; L178-I190 HydrophobicContact CD1-CG2 4.46Å; L178-I190 HydrophobicContact CD2-CG2 3.99Å; L178-I190 HydrophobicContact CG-CG2 4.42Å |
| 179 | V | 94.3 | Very high | 90.8 | Very high | 69 Ų | 69 | 61.8 Ų | 61.8 | 42% | 0.418 | 39% | 0.388 | S | S | . | . | trans | -120.8 | 90.3 | 177.8 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | P123 G158 P160 N181 | P123-V179 WeakPolarHBondContact CB-O 3.42Å; G158-V179 WeakPolarHBondContact O-CG1 3.35Å; P160-V179 HydrophobicContact CB-CG2 4.15Å; V179-N181 PolarHBondContact O-N 2.91Å | ||
| 180 | P | 92.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | trans | -63 | 123.2 | -176.4 | -26.3 | 38.3 | 0 | 0 | 0 | 112.1 | I153 S156 G158 K159 L161 L178 S189 I190 | I153-P180 HydrophobicContact CB-CG 4.48Å; I153-P180 HydrophobicContact CG1-CG 4.44Å; I153-P180 HydrophobicContact CG2-CB 4.02Å; I153-P180 HydrophobicContact CG2-CG 3.98Å; S156-P180 VanDerWaalsContact OG-CG 3.31Å; S156-P180 WeakPolarHBondContact OG-CG 3.21Å; G158-P180 WeakPolarHBondContact CA-O 3.44Å; G158-P180 PolarHBondContact N-O 2.81Å; G158-P180 VanDerWaalsContact N-O 3.17Å; K159-P180 WeakPolarHBondContact O-CD 3.22Å; L161-P180 HydrophobicContact CD1-CG 3.94Å; L178-P180 HydrophobicContact CG-CG 4.37Å; P180-S189 CarbonylContact C-O 3.4Å; P180-S189 VanDerWaalsContact CA-O 3.23Å; P180-S189 WeakPolarHBondContact CA-O 3.48Å; P180-I190 HydrophobicContact CB-CG2 3.98Å; P180-I190 HydrophobicContact CG-CG2 4.07Å | ||
| 181 | N | 93.2 | Very high | 91.1 | Very high | 72 Ų | 72 | 54.4 Ų | 54.4 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | trans | -133 | 108.2 | -177.8 | 171.9 | 17.6 | 0 | 0 | 0 | 109 | P123 V179 A183 S189 | P123-N181 HydrophobicContact CG-CB 4.1Å; V179-N181 PolarHBondContact O-N 2.91Å; N181-A183 PolarHBondContact O-N 2.94Å; N181-A183 WeakPolarHBondContact OD1-CA 3.37Å; N181-A183 PolarHBondContact OD1-N 2.7Å; N181-S189 CarbonylContact C-O 3.59Å; N181-S189 PolarHBondContact N-O 3.17Å | ||
| 182 | S | 90.8 | Very high | 91.5 | Very high | 90 Ų | 90 | 53.3 Ų | 53.3 | 63% | 0.629 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -12.3 | 178.2 | -38.7 | 0 | 0 | 0 | 0 | 113.8 | S189 | S182-S189 PolarHBondContact OG-OG 3.49Š|
| 183 | A | 90.4 | Very high | 91.8 | Very high | 90 Ų | 90 | 54.2 Ų | 54.2 | 74% | 0.744 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 21 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | N181 G185 | N181-A183 PolarHBondContact O-N 2.94Å; N181-A183 WeakPolarHBondContact OD1-CA 3.37Å; N181-A183 PolarHBondContact OD1-N 2.7Å; A183-G185 VanDerWaalsContact C-N 3.25Å; A183-G185 PolarHBondContact O-N 3.47Å |
| 184 | W | 92.3 | Very high | 92 | Very high | 52 Ų | 52 | 55 Ų | 55 | 20% | 0.197 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -74.2 | -9.5 | -178 | 77 | -76.3 | 0 | 0 | 0 | 114.9 | Q119 S122 P123 G186 E187 G188 | Q119-W184 HydrophobicContact CB-CH2 3.66Å; Q119-W184 HydrophobicContact CB-CZ3 4.3Å; Q119-W184 HydrophobicContact CG-CH2 4.13Å; S122-W184 VanDerWaalsContact CA-CE3 3.5Å; S122-W184 VanDerWaalsContact CB-CZ3 3.43Å; P123-W184 HydrophobicContact CG-CB 4.09Å; P123-W184 HydrophobicContact CG-CG 4.19Å; W184-G186 VanDerWaalsContact CE2-C 3.46Å; W184-G186 VanDerWaalsContact CE2-CA 3.5Å; W184-G186 VanDerWaalsContact CZ2-C 3.42Å; W184-G186 PolarHBondContact NE1-O 3.29Å; W184-E187 WeakPolarHBondContact CZ2-O 3.31Å; W184-E187 PolarHBondContact NE1-O 2.71Å; W184-G188 PolarHBondContact NE1-O 3.47Å |
| 185 | G | 89.1 | Confident | 92.1 | Very high | 81 Ų | 81 | 52.2 Ų | 52.2 | 84% | 0.835 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 95.5 | 4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A183 | A183-G185 VanDerWaalsContact C-N 3.25Å; A183-G185 PolarHBondContact O-N 3.47Å |
| 186 | G | 90.9 | Very high | 92 | Very high | 36 Ų | 36 | 49.5 Ų | 49.5 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -132.6 | -166.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | W184 | W184-G186 VanDerWaalsContact CE2-C 3.46Å; W184-G186 VanDerWaalsContact CE2-CA 3.5Å; W184-G186 VanDerWaalsContact CZ2-C 3.42Å; W184-G186 PolarHBondContact NE1-O 3.29Å |
| 187 | E | 90.4 | Very high | 91.6 | Very high | 150 Ų | 150 | 50.1 Ų | 50.1 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -75.6 | 141.9 | -173.4 | -166.9 | 173.1 | 170 | 0 | 0 | 113.6 | W184 | W184-E187 WeakPolarHBondContact CZ2-O 3.31Å; W184-E187 PolarHBondContact NE1-O 2.71Å |
| 188 | G | 89.8 | Confident | 91.1 | Very high | 50 Ų | 50 | 55.8 Ų | 55.8 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | -174.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | W184 | W184-G188 PolarHBondContact NE1-O 3.47Š|
| 189 | S | 90.8 | Very high | 90.8 | Very high | 28 Ų | 28 | 62.4 Ų | 62.4 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 0.3 | -177.9 | -57.9 | 0 | 0 | 0 | 0 | 114.3 | P180 N181 S182 | P180-S189 CarbonylContact C-O 3.4Å; P180-S189 VanDerWaalsContact CA-O 3.23Å; P180-S189 WeakPolarHBondContact CA-O 3.48Å; N181-S189 CarbonylContact C-O 3.59Å; N181-S189 PolarHBondContact N-O 3.17Å; S182-S189 PolarHBondContact OG-OG 3.49Å |
| 190 | I | 92.5 | Very high | 90.5 | Very high | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.087 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137 | -21.2 | -173 | 63.1 | -178.3 | 0 | 0 | 0 | 114.1 | S122 P123 A124 I153 L178 P180 C192 I194 | S122-I190 WeakPolarHBondContact CB-O 3.46Å; S122-I190 PolarHBondContact OG-O 2.82Å; P123-I190 WeakPolarHBondContact CD-O 3.45Å; A124-I190 VanDerWaalsContact CB-O 3.23Å; A124-I190 WeakPolarHBondContact CB-O 3.35Å; A124-I190 PolarHBondContact N-O 3.36Å; I153-I190 HydrophobicContact CD1-CD1 4.03Å; I153-I190 HydrophobicContact CD1-CG2 4.47Å; I153-I190 HydrophobicContact CG2-CG2 3.59Å; L178-I190 HydrophobicContact CD1-CG2 4.46Å; L178-I190 HydrophobicContact CD2-CG2 3.99Å; L178-I190 HydrophobicContact CG-CG2 4.42Å; P180-I190 HydrophobicContact CB-CG2 3.98Å; P180-I190 HydrophobicContact CG-CG2 4.07Å; I190-C192 VanDerWaalsContact CD1-SG 3.57Å; I190-I194 HydrophobicContact CD1-CD1 3.63Å; I190-I194 HydrophobicContact CD1-CG1 4.42Å |
| 191 | G | 92.9 | Very high | 90.3 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 5% | 0.052 | 38% | 0.38 | C | S | . | . | trans | 56.7 | 45.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q119 S122 | Q119-G191 WeakPolarHBondContact CB-O 3.42Å; Q119-G191 PolarHBondContact N-O 3.21Å; S122-G191 WeakPolarHBondContact CB-O 3.44Å; S122-G191 PolarHBondContact OG-O 2.8Å | ||
| 192 | C | 93.1 | Very high | 89.9 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 10% | 0.095 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147.3 | 160.4 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | V115 K117 V118 A124 I190 | V115-C192 HydrophobicContact CG1-CB 4.48Å; K117-C192 CarbonylContact O-C 3.54Å; K117-C192 WeakPolarHBondContact O-CA 3.2Å; K117-C192 WeakPolarHBondContact O-CB 3.42Å; V118-C192 HydrophobicContact CB-CB 4.29Å; V118-C192 HydrophobicContact CG1-CB 4.4Å; V118-C192 HydrophobicContact CG2-CB 3.88Å; A124-C192 HydrophobicContact CB-CB 3.66Å; A124-C192 VanDerWaalsContact CB-SG 3.52Å; I190-C192 VanDerWaalsContact CD1-SG 3.57Å |
| 193 | D | 93 | Very high | 89.5 | Confident | 81 Ų | 81 | 59.6 Ų | 59.6 | 43% | 0.433 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 128.3 | 173.7 | -58.9 | -23.5 | 0 | 0 | 0 | 108.5 | L116 K117 | L116-D193 HydrophobicContact CB-CB 4.07Å; L116-D193 PolarHBondContact N-O 2.9Å; K117-D193 HydrophobicContact CB-CB 4.38Å; K117-D193 WeakPolarHBondContact CB-OD2 3.4Å; K117-D193 PolarHBondContact O-N 2.68Å |
| 194 | I | 92 | Very high | 88.5 | Confident | 55 Ų | 55 | 58.2 Ų | 58.2 | 28% | 0.282 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.4 | -179.5 | -62.6 | -179.6 | 0 | 0 | 0 | 109 | W113 I136 L149 I190 | W113-I194 HydrophobicContact CB-CG2 3.7Å; W113-I194 HydrophobicContact CG-CG2 4.22Å; I136-I194 HydrophobicContact CD1-CD1 4.31Å; L149-I194 HydrophobicContact CD2-CD1 4.25Å; I190-I194 HydrophobicContact CD1-CD1 3.63Å; I190-I194 HydrophobicContact CD1-CG1 4.42Å |
| 195 | A | 91.4 | Very high | 87.3 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 155 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W113 H114 L116 H200 | W113-A195 CarbonylContact C-O 3.59Å; W113-A195 WeakPolarHBondContact CA-O 3.22Å; H114-A195 PolarHBondContact N-O 2.83Å; H114-A195 PolarHBondContact O-N 2.8Å; L116-A195 HydrophobicContact CD1-CB 3.62Å; L116-A195 HydrophobicContact CD2-CB 4.48Å; L116-A195 HydrophobicContact CG-CB 4Å; A195-H200 HydrophobicContact CB-CB 4.45Å |
| 196 | F | 89.6 | Confident | 86.1 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | trans | -137.1 | 163.9 | -172.2 | -173.3 | -93 | 0 | 0 | 0 | 110.7 | Q110 I112 W113 T146 | Q110-F196 WeakPolarHBondContact O-CE2 3.4Å; Q110-F196 VanDerWaalsContact O-CZ 3.31Å; Q110-F196 WeakPolarHBondContact O-CZ 3.48Å; I112-F196 VanDerWaalsContact O-CD2 3.26Å; I112-F196 WeakPolarHBondContact O-CD2 3.41Å; W113-F196 AromaticContact CD1-CD2 3.69Å; W113-F196 HydrophobicContact CD2-CD2 4.14Å; W113-F196 HydrophobicContact CD2-CE2 4.36Å; W113-F196 AromaticContact CE2-CD2 3.83Å; W113-F196 AromaticContact CE2-CE2 3.91Å; W113-F196 HydrophobicContact CG-CD2 4.04Å; W113-F196 HydrophobicContact CZ2-CD2 4.43Å; W113-F196 HydrophobicContact CZ2-CE2 4.07Å; W113-F196 AromaticContact NE1-CD2 3.55Å; T146-F196 HydrophobicContact CG2-CB 4.11Å; T146-F196 HydrophobicContact CG2-CD1 3.52Å; T146-F196 HydrophobicContact CG2-CD2 4.48Å; T146-F196 HydrophobicContact CG2-CE1 4.03Å; T146-F196 HydrophobicContact CG2-CG 3.79Å; T146-F196 WeakPolarHBondContact OG1-CD1 3.12Å; T146-F196 WeakPolarHBondContact OG1-CE1 3.48Å | ||
| 197 | G | 85.7 | Confident | 84.5 | Confident | 19 Ų | 19 | 66.5 Ų | 66.5 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 98.2 | -171.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L199 H200 R201 | G197-L199 VanDerWaalsContact C-N 3.35Å; G197-L199 PolarHBondContact O-N 3.32Å; G197-H200 CarbonylContact O-C 3.55Å; G197-H200 PolarHBondContact O-N 2.9Å; G197-R201 PolarHBondContact O-N 3.32Å |
| 198 | Y | 83.9 | Confident | 83 | Confident | 188 Ų | 188 | 65.6 Ų | 65.6 | 74% | 0.737 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -56.8 | -40 | -162.7 | -173.1 | -95.2 | 0 | 0 | 0 | 114.9 | H200 | Y198-H200 VanDerWaalsContact C-N 3.28Å; Y198-H200 PolarHBondContact O-N 2.99Å |
| 199 | L | 87.7 | Confident | 81.3 | Confident | 140 Ų | 140 | 67.6 Ų | 67.6 | 73% | 0.733 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -77 | -12.1 | 179 | -62.2 | 176.4 | 0 | 0 | 0 | 113.8 | G197 | G197-L199 VanDerWaalsContact C-N 3.35Å; G197-L199 PolarHBondContact O-N 3.32Å |
| 200 | H | 89.4 | Confident | 79.5 | Confident | 40 Ų | 40 | 74.6 Ų | 74.6 | 19% | 0.185 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -110.9 | 16.6 | -176.7 | -66.6 | -70.2 | 0 | 0 | 0 | 112.6 | H114 Y135 A195 G197 Y198 | H114-H200 HydrophobicContact CB-CB 3.71Å; H114-H200 AromaticContact CG-ND1 3.82Å; H114-H200 AromaticContact ND1-ND1 3.1Å; H114-H200 PolarHBondContact ND1-ND1 2.77Å; H114-H200 VanDerWaalsContact ND1-ND1 3.1Å; Y135-H200 WeakPolarHBondContact CE1-O 3.44Å; A195-H200 HydrophobicContact CB-CB 4.45Å; G197-H200 CarbonylContact O-C 3.55Å; G197-H200 PolarHBondContact O-N 2.9Å; Y198-H200 VanDerWaalsContact C-N 3.28Å; Y198-H200 PolarHBondContact O-N 2.99Å |
| 201 | R | 86.7 | Confident | 77.5 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 23% | 0.234 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -79.5 | 158.8 | 168.6 | -65.3 | 177.5 | -174.1 | -170.1 | 0.7 | 110.5 | N109 Y135 G197 | N109-R201 WeakPolarHBondContact O-CD 3.44Å; Y135-R201 WeakPolarHBondContact CE1-O 3.37Å; G197-R201 PolarHBondContact O-N 3.32Å |
| 202 | I | 86.1 | Confident | 74.9 | Confident | 22 Ų | 22 | 82.1 Ų | 82.1 | 11% | 0.113 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 131.9 | 174 | -69.3 | 168.4 | 0 | 0 | 0 | 109.2 | F37 I112 Y135 L137 Y166 A204 | F37-I202 HydrophobicContact CE1-CD1 3.74Å; F37-I202 HydrophobicContact CZ-CD1 3.87Å; I112-I202 HydrophobicContact CD1-CD1 4.01Å; I112-I202 HydrophobicContact CD1-CG1 4.26Å; I112-I202 HydrophobicContact CG2-CD1 4.44Å; I112-I202 HydrophobicContact CG2-CG1 4.33Å; Y135-I202 HydrophobicContact CD1-CG1 3.69Å; Y135-I202 HydrophobicContact CD2-CG1 4.23Å; Y135-I202 HydrophobicContact CE1-CG1 4.25Å; Y135-I202 HydrophobicContact CG-CD1 4.45Å; Y135-I202 HydrophobicContact CG-CG1 3.67Å; L137-I202 HydrophobicContact CD2-CD1 3.82Å; Y166-I202 HydrophobicContact CD1-CD1 3.48Å; Y166-I202 VanDerWaalsContact CD1-CD1 3.48Å; Y166-I202 HydrophobicContact CD1-CG1 3.81Å; Y166-I202 HydrophobicContact CD1-CG2 4.24Å; Y166-I202 HydrophobicContact CE1-CB 4.46Å; Y166-I202 HydrophobicContact CE1-CD1 3.98Å; Y166-I202 HydrophobicContact CE1-CG1 4.03Å; Y166-I202 HydrophobicContact CE1-CG2 3.61Å; Y166-I202 HydrophobicContact CG-CD1 3.94Å; I202-A204 PolarHBondContact O-N 2.79Å |
| 203 | P | 81.1 | Confident | 72.5 | Confident | 52 Ų | 52 | 90.7 Ų | 90.7 | 34% | 0.338 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 120.6 | 175.8 | -23.6 | 33.7 | 0 | 0 | 0 | 111.3 | F205 V206 | P203-F205 PolarHBondContact O-N 3.24Å; P203-V206 HydrophobicContact CB-CG2 4.12Å |
| 204 | A | 71.2 | Confident | 70.1 | Confident | 61 Ų | 61 | 91.5 Ų | 91.5 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -58.5 | -29.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I202 | I202-A204 PolarHBondContact O-N 2.79Š|
| 205 | F | 66.2 | Low | 67.5 | Low | 193 Ų | 193 | 93.1 Ų | 93.1 | 85% | 0.846 | 50% | 0.501 | S | S | * | . | trans | -126.1 | 110.7 | 171.7 | -57.1 | -76.9 | 0 | 0 | 0 | 109.6 | P203 | P203-F205 PolarHBondContact O-N 3.24Š| ||
| 206 | V | 64.1 | Low | 64.9 | Low | 39 Ų | 39 | 99.3 Ų | 99.3 | 24% | 0.236 | 53% | 0.532 | C | S | . | . | trans | -96.8 | 114.6 | 166.6 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | V168 P203 R208 | V168-V206 HydrophobicContact CG1-CG1 3.91Å; V168-V206 HydrophobicContact CG1-CG2 4.07Å; P203-V206 HydrophobicContact CB-CG2 4.12Å; V206-R208 HydrophobicContact CG1-CG 4.19Å; V206-R208 WeakPolarHBondContact O-CG 3.45Å; V206-R208 PolarHBondContact O-N 3.4Å; V206-R208 VanDerWaalsContact O-N 3.09Å | ||
| 207 | D | 56.5 | Low | 62.7 | Low | 111 Ų | 111 | 101.5 Ų | 101.5 | 59% | 0.594 | 56% | 0.559 | S | S | * | * | trans | -75 | 97.4 | 173.1 | 178 | 8.4 | 0 | 0 | 0 | 110.1 | S209 | D207-S209 PolarHBondContact O-N 3.46Å; D207-S209 WeakPolarHBondContact OD1-CB 3.27Å; D207-S209 PolarHBondContact OD1-N 2.98Å; D207-S209 PolarHBondContact OD1-OG 2.86Å; D207-S209 PolarHBondContact OD2-OG 2.97Å; D207-S209 VanDerWaalsContact OD2-OG 3.12Å | ||
| 208 | R | 60 | Low | 60.8 | Low | 131 Ų | 131 | 108 Ų | 108 | 49% | 0.494 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -78.4 | -1.3 | -176.2 | -50.7 | -176.5 | -159.5 | -169.4 | 0.4 | 113.6 | D171 V206 K210 V211 | D171-R208 IonicContact OD1-CZ 2.8Å; D171-R208 IonicContact OD1-NH1 2.68Å; D171-R208 IonicContact OD1-NH2 3.58Å; D171-R208 PolarHBondContact OD1-NH2 2.85Å; D171-R208 IonicContact OD2-CZ 3.42Å; D171-R208 IonicContact OD2-NH1 3.49Å; D171-R208 PolarHBondContact OD2-NH1 3.24Å; D171-R208 IonicContact OD2-NH2 2.68Å; D171-R208 PolarHBondContact OD2-NH2 3.01Å; V206-R208 HydrophobicContact CG1-CG 4.19Å; V206-R208 WeakPolarHBondContact O-CG 3.45Å; V206-R208 PolarHBondContact O-N 3.4Å; V206-R208 VanDerWaalsContact O-N 3.09Å; R208-K210 PolarHBondContact O-N 2.78Å; R208-K210 VanDerWaalsContact O-N 3.07Å; R208-V211 HydrophobicContact CB-CG2 4.5Å; R208-V211 PolarHBondContact O-N 2.91Å; R208-V211 VanDerWaalsContact O-N 3.15Å |
| 209 | S | 54.5 | Low | 58.8 | Low | 93 Ų | 93 | 107.9 Ų | 107.9 | 65% | 0.65 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -60.3 | -18.5 | 178.5 | 66.8 | 0 | 0 | 0 | 0 | 113.7 | D207 | D207-S209 PolarHBondContact O-N 3.46Å; D207-S209 WeakPolarHBondContact OD1-CB 3.27Å; D207-S209 PolarHBondContact OD1-N 2.98Å; D207-S209 PolarHBondContact OD1-OG 2.86Å; D207-S209 PolarHBondContact OD2-OG 2.97Å; D207-S209 VanDerWaalsContact OD2-OG 3.12Å |
| 210 | K | 51.2 | Low | 56.8 | Low | 174 Ų | 174 | 105.4 Ų | 105.4 | 76% | 0.757 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -100.6 | -7.8 | 179.4 | -66.5 | -178.2 | -178.8 | 174.4 | 0 | 115.2 | R208 P212 | R208-K210 PolarHBondContact O-N 2.78Å; R208-K210 VanDerWaalsContact O-N 3.07Å; K210-P212 VanDerWaalsContact O-CD 3.32Å; K210-P212 WeakPolarHBondContact O-CD 3.33Å |
| 211 | V | 50.6 | Low | 54.7 | Low | 60 Ų | 60 | 109.3 Ų | 109.3 | 36% | 0.364 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -74.1 | 123.4 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | R208 K213 | R208-V211 HydrophobicContact CB-CG2 4.5Å; R208-V211 PolarHBondContact O-N 2.91Å; R208-V211 VanDerWaalsContact O-N 3.15Å; V211-K213 VanDerWaalsContact C-N 3.26Å; V211-K213 PolarHBondContact O-N 2.93Å |
| 212 | P | 39.1 | Very low | 52.8 | Low | 121 Ų | 121 | 115.6 Ų | 115.6 | 79% | 0.786 | 65% | 0.651 | S | S | * | * | trans | -71.1 | 78 | 179.4 | -19.1 | 34.1 | 0 | 0 | 0 | 112.1 | K210 A214 | K210-P212 VanDerWaalsContact O-CD 3.32Å; K210-P212 WeakPolarHBondContact O-CD 3.33Å; P212-A214 PolarHBondContact O-N 2.87Å; P212-A214 VanDerWaalsContact O-N 3.15Å | ||
| 213 | K | 42.9 | Very low | 50.9 | Low | 194 Ų | 194 | 120.3 Ų | 120.3 | 84% | 0.843 | 68% | 0.683 | S | S | * | * | trans | -53.9 | 122.3 | 164 | -173.8 | 173.7 | -175 | 174.5 | 0 | 107.3 | V211 A215 | V211-K213 VanDerWaalsContact C-N 3.26Å; V211-K213 PolarHBondContact O-N 2.93Å; K213-A215 VanDerWaalsContact C-N 3.27Å; K213-A215 PolarHBondContact O-N 3.34Å | ||
| 214 | A | 41.4 | Very low | 49.2 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 81% | 0.81 | 70% | 0.704 | S | S | * | * | trans | -66.4 | 76.3 | -163.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P212 N216 | P212-A214 PolarHBondContact O-N 2.87Å; P212-A214 VanDerWaalsContact O-N 3.15Å; A214-N216 PolarHBondContact O-N 3.35Å; A214-N216 VanDerWaalsContact O-N 3.13Å | ||
| 215 | A | 37.8 | Very low | 47.8 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -87.9 | 71 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K213 | K213-A215 VanDerWaalsContact C-N 3.27Å; K213-A215 PolarHBondContact O-N 3.34Å | ||
| 216 | N | 37.8 | Very low | 47.2 | Very low | 148 Ų | 148 | 121 Ų | 121 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -164.5 | 64.4 | 156.2 | -98.9 | -37.9 | 0 | 0 | 0 | 111.4 | A214 | A214-N216 PolarHBondContact O-N 3.35Å; A214-N216 VanDerWaalsContact O-N 3.13Å | ||
| 217 | A | 42.2 | Very low | 46.3 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -113.2 | 24.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 218 | D | 45.9 | Very low | 45.7 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | -153.3 | 72.4 | 176.5 | -120.1 | -30.6 | 0 | 0 | 0 | 112.4 | ||||
| 219 | K | 43.1 | Very low | 45.5 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -147.6 | 62.9 | 164 | -142 | 176.8 | -170.3 | -178.7 | 0 | 112.3 | ||||
| 220 | A | 45.9 | Very low | 45.1 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | trans | -54.3 | 127.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K222 | A220-K222 PolarHBondContact O-N 2.79Š| ||
| 221 | P | 43.7 | Very low | 44.6 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -73.3 | 101.7 | -179.1 | 28.5 | -33.3 | 0 | 0 | 0 | 110.1 | P223 | P221-P223 VanDerWaalsContact O-CD 3.29Å; P221-P223 WeakPolarHBondContact O-CD 3.48Å | ||
| 222 | K | 47.1 | Very low | 44.7 | Very low | 194 Ų | 194 | 129 Ų | 129 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60 | 119.4 | 169 | -179.6 | 179.6 | 179.3 | -179.6 | 0 | 109 | A220 A224 | A220-K222 PolarHBondContact O-N 2.79Å; K222-A224 PolarHBondContact O-N 2.92Å |
| 223 | P | 45.6 | Very low | 44.7 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 123.9 | 176.5 | -21.7 | 34 | 0 | 0 | 0 | 110.3 | P221 | P221-P223 VanDerWaalsContact O-CD 3.29Å; P221-P223 WeakPolarHBondContact O-CD 3.48Å |
| 224 | A | 47.3 | Very low | 45.1 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 118.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | K222 | K222-A224 PolarHBondContact O-N 2.92Š|
| 225 | A | 41.1 | Very low | 45.3 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 118.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 226 | V | 54.4 | Low | 45.4 | Very low | 119 Ų | 119 | 128 Ų | 128 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | trans | -136 | 131.5 | 168.4 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 227 | E | 43.6 | Very low | 45.8 | Very low | 184 Ų | 184 | 128.4 Ų | 128.4 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -2.4 | 138.3 | 171.8 | -65.4 | 157.9 | 120.7 | 0 | 0 | 120.7 | ||||
| 228 | A | 43.8 | Very low | 45.9 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -119 | 139.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 229 | P | 56.6 | Low | 45.8 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -100.8 | 134.1 | 170.7 | 35.1 | -29.2 | 0 | 0 | 0 | 113.1 | ||||
| 230 | D | 45.2 | Very low | 45.6 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | 50.1 | 131.3 | 148.9 | -58.1 | -54.7 | 0 | 0 | 0 | 122.8 | ||||
| 231 | A | 40.7 | Very low | 45.5 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | -138.6 | 158.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 232 | P | 53.1 | Low | 45.4 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -131.2 | 113.2 | 157.4 | 33.1 | -18.1 | 0 | 0 | 0 | 114.6 | ||||
| 233 | S | 39 | Very low | 45.5 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | 38.8 | 115.3 | 130.5 | -54.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 234 | V | 50.9 | Low | 45.1 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -133.6 | 163.1 | 138.9 | -76.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 235 | V | 46.3 | Very low | 45.5 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -125.1 | 142.3 | -149.3 | -177.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 236 | G | 41 | Very low | 45.7 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 155.9 | 103.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 237 | L | 45.3 | Very low | 45.2 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | cis | 96.5 | 142.8 | 44.7 | -171.2 | 64.5 | 0 | 0 | 0 | 112.3 | ||||
| 238 | L | 44.8 | Very low | 45.3 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 80.3 | 114.9 | -170.5 | -47.9 | 173.4 | 0 | 0 | 0 | 112.5 | ||||
| 239 | K | 43.4 | Very low | 45.1 | Very low | 185 Ų | 185 | 131.3 Ų | 131.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | 63.1 | 130.3 | 52.9 | -63.5 | -171.6 | 176.1 | -179.1 | 0 | 112.1 | |||||
| 240 | T | 39.1 | Very low | 44.6 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | cis | -155.5 | 171.4 | 18.2 | -1.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 241 | P | 43.8 | Very low | 44.5 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | trans | -108.3 | 172.5 | -159.1 | 41.7 | -37.2 | 0 | 0 | 0 | 117.6 | ||||
| 242 | S | 40.4 | Very low | 44.8 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | 71.9 | 137 | 159.8 | -56.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 243 | P | 49.4 | Very low | 44.3 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | -137 | 164.4 | 83 | 40 | -28.6 | 0 | 0 | 0 | 115.4 | |||||
| 244 | S | 39.1 | Very low | 44.4 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -105.9 | 151.8 | 167.7 | 48.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 245 | L | 55.5 | Low | 44.2 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -134.4 | 146 | 172.6 | -77.8 | 175.1 | 0 | 0 | 0 | 111.3 | ||||
| 246 | P | 43.4 | Very low | 43.9 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | trans | -126.1 | 178.1 | -166.7 | 45.1 | -32.2 | 0 | 0 | 0 | 115.2 | ||||
| 247 | I | 44.2 | Very low | 44.5 | Very low | 155 Ų | 155 | 138 Ų | 138 | 80% | 0.795 | 80% | 0.801 | S | S | * | * | trans | 58.3 | 118.8 | 147.6 | -68.8 | 156.3 | 0 | 0 | 0 | 118.1 | ||||
| 248 | S | 45.9 | Very low | 44.3 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | -180 | 165.5 | 96.4 | -154.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 249 | N | 39.8 | Very low | 44.7 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -86.8 | 153.5 | 172.3 | -71.1 | -26.6 | 0 | 0 | 0 | 111.9 | ||||
| 250 | A | 45.7 | Very low | 44.7 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -138.7 | 150.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 251 | K | 44.7 | Very low | 44.6 | Very low | 207 Ų | 207 | 132.4 Ų | 132.4 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | trans | -120.7 | 167.2 | 177.4 | -103.3 | -170.2 | 176.1 | -177.5 | 0 | 110.5 | ||||
| 252 | P | 46.3 | Very low | 44.7 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | trans | -96.9 | 168.1 | -149.3 | 38.2 | -39.5 | 0 | 0 | 0 | 115.9 | ||||
| 253 | I | 43.3 | Very low | 44.9 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -157.2 | 110.5 | 157.6 | -100.8 | 148.5 | 0 | 0 | 0 | 104.9 | ||||
| 254 | L | 39.6 | Very low | 44.7 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | 65.9 | 118.8 | 91.1 | -167.4 | 81.6 | 0 | 0 | 0 | 114.1 | |||||
| 255 | N | 46.8 | Very low | 45.2 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | trans | -160.9 | 141.6 | 148.2 | -103.4 | -25 | 0 | 0 | 0 | 109.9 | ||||
| 256 | A | 39.4 | Very low | 44.4 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 66% | 0.661 | 81% | 0.807 | S | S | * | * | trans | -137.8 | 172.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 257 | P | 54.4 | Low | 44.4 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -130.7 | 149.6 | 138 | 32.7 | -21 | 0 | 0 | 0 | 113.2 | ||||
| 258 | T | 40.3 | Very low | 44.3 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -123.5 | 134.6 | 178.3 | -58 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 259 | I | 54.2 | Low | 44.2 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -148.6 | 154.6 | 166.4 | 21.5 | 178.6 | 0 | 0 | 0 | 108.7 | ||||
| 260 | P | 42.4 | Very low | 44.4 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | -124.1 | 176.6 | -127.2 | 32.9 | -14.3 | 0 | 0 | 0 | 115.2 | |||||
| 261 | A | 37.7 | Very low | 44.2 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | -83.2 | 152.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 262 | S | 46.1 | Very low | 44.1 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | trans | -174.8 | 170.2 | 156.5 | -89.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 263 | A | 44.2 | Very low | 43.6 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | 67.5 | 83.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 264 | S | 44.5 | Very low | 43.6 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -68.5 | 144.2 | 150.8 | 42.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 265 | M | 50.3 | Low | 43.5 | Very low | 192 Ų | 192 | 120.6 Ų | 120.6 | 95% | 0.946 | 78% | 0.783 | S | S | * | * | trans | -144.1 | 152.3 | 151.4 | -76.3 | -143.8 | 80.6 | 0 | 0 | 110.4 | ||||
| 266 | S | 38.6 | Very low | 43.1 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -103.4 | 162.8 | 174.1 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 267 | V | 43.4 | Very low | 43.1 | Very low | 139 Ų | 139 | 120.7 Ų | 120.7 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | -179.3 | 113.4 | 126.8 | 150.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 268 | A | 42.1 | Very low | 42.3 | Very low | 77 Ų | 77 | 120.3 Ų | 120.3 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | 28.5 | 148.4 | 143 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 269 | S | 44.8 | Very low | 42.4 | Very low | 116 Ų | 116 | 121 Ų | 121 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | 77 | 146.2 | 142.3 | -68.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 270 | S | 43.9 | Very low | 41.9 | Very low | 111 Ų | 111 | 117.6 Ų | 117.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | cis | -139 | 158.6 | 5.4 | -96.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 271 | V | 40.7 | Very low | 42.1 | Very low | 120 Ų | 120 | 118.2 Ų | 118.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -84.5 | 141.6 | 171.8 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 272 | V | 42.9 | Very low | 42.2 | Very low | 136 Ų | 136 | 119.5 Ų | 119.5 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -131.5 | 108.6 | 152.3 | -180 | 0 | 0 | 0 | 0 | 108.7 | V274 | V272-V274 HydrophobicContact CG1-CG2 4.39Š| ||
| 273 | T | 36.5 | Very low | 41.8 | Very low | 112 Ų | 112 | 118 Ų | 118 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | -104.4 | 130.6 | 168.3 | -59.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 274 | V | 43.7 | Very low | 41.8 | Very low | 136 Ų | 136 | 119.1 Ų | 119.1 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -120.1 | 133.1 | 162.2 | -176.6 | 0 | 0 | 0 | 0 | 107.1 | V272 | V272-V274 HydrophobicContact CG1-CG2 4.39Š| ||
| 275 | A | 35.7 | Very low | 41.5 | Very low | 69 Ų | 69 | 121.2 Ų | 121.2 | 57% | 0.57 | 78% | 0.782 | S | S | * | * | trans | -137.8 | 166.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 276 | V | 38.9 | Very low | 41 | Very low | 140 Ų | 140 | 115.8 Ų | 115.8 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | 62.4 | 150.4 | 176.6 | -55 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 277 | S | 40 | Very low | 41.2 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -136.9 | 149.9 | 21.8 | -60 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 278 | S | 36.9 | Very low | 41 | Very low | 120 Ų | 120 | 116.6 Ų | 116.6 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -101.2 | 135.5 | 169.2 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 279 | T | 43 | Very low | 40.8 | Very low | 142 Ų | 142 | 118.9 Ų | 118.9 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | trans | -130.1 | 153.6 | 166.3 | -52.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 280 | S | 43.9 | Very low | 40.2 | Very low | 93 Ų | 93 | 118.5 Ų | 118.5 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | -140.6 | 160.5 | -152.9 | 50.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 281 | V | 46.3 | Very low | 39.8 | Very low | 133 Ų | 133 | 121.1 Ų | 121.1 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | 61.7 | 162.8 | 153.8 | -64.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 282 | P | 39.4 | Very low | 39.5 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | cis | -129 | -178.9 | -24.2 | 23.8 | -0.9 | 0 | 0 | 0 | 114.7 | ||||
| 283 | A | 38.2 | Very low | 39.2 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -72.9 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 284 | S | 44.7 | Very low | 39.1 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -142.6 | 159 | 151.7 | 66.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 285 | N | 38.4 | Very low | 38.8 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -95.6 | 152.9 | -163.3 | -64.1 | -28.7 | 0 | 0 | 0 | 114.5 | ||||
| 286 | G | 38.2 | Very low | 38.6 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -158.5 | 121.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 287 | V | 43.1 | Very low | 38.5 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -107.2 | 147.3 | -172.2 | 167.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 288 | P | 39 | Very low | 38.1 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -91.5 | 172.7 | -153.2 | 36.6 | -37.7 | 0 | 0 | 0 | 114.9 | ||||
| 289 | S | 38.4 | Very low | 38.2 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -142.4 | 157.1 | 163.1 | -166.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 290 | V | 33.2 | Very low | 37.6 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 66% | 0.655 | 79% | 0.794 | S | S | * | * | trans | -115.3 | 134 | -162.8 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 291 | H | 34.6 | Very low | 37.2 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -149.6 | 128.2 | 152.8 | -149.9 | 69.3 | 0 | 0 | 0 | 112.8 | ||||
| 292 | H | 34 | Very low | 36.7 | Very low | 155 Ų | 155 | 137 Ų | 137 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | trans | -98.6 | 141.3 | 176.4 | -66.1 | -99.8 | 0 | 0 | 0 | 111 | ||||
| 293 | K | 37.9 | Very low | 36.4 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | -145.8 | 104.9 | 152.4 | -75.4 | -164.4 | 176.9 | -177.4 | 0 | 110.8 | ||||
| 294 | P | 32.7 | Very low | 36.6 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -75.5 | 149.2 | 156.2 | 33.3 | -31.5 | 0 | 0 | 0 | 109.3 | ||||
| 295 | V | 38.1 | Very low | 36 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -120.2 | 134.7 | 169.9 | 175.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 296 | E | 32.8 | Very low | 36.1 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -80.6 | 143.9 | -176.4 | -60.6 | 170.6 | 106.7 | 0 | 0 | 111.9 | ||||
| 297 | A | 35.4 | Very low | 36.2 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -142.6 | 79.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | L299 | A297-L299 PolarHBondContact O-N 2.91Š| ||
| 298 | V | 32.7 | Very low | 35.7 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -84.9 | 108.7 | 172.1 | 175.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 299 | L | 38.4 | Very low | 35.9 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -109.5 | 120.1 | 162.4 | -128.4 | 74.9 | 0 | 0 | 0 | 109.6 | A297 | A297-L299 PolarHBondContact O-N 2.91Š| ||
| 300 | K | 29.9 | Very low | 35.8 | Very low | 195 Ų | 195 | 135.3 Ų | 135.3 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -84.3 | 136.4 | 159.9 | -65.4 | 178.4 | -179.5 | 177.9 | 0 | 107.2 | ||||
| 301 | T | 35.1 | Very low | 36.5 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -140 | 139.7 | 166.7 | -53.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 302 | E | 37.9 | Very low | 37 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | trans | -92 | 141.3 | -166.2 | -160.9 | 162.5 | 91 | 0 | 0 | 110.4 | Q304 | E302-Q304 PolarHBondContact O-N 2.8Š| ||
| 303 | A | 32.6 | Very low | 37.5 | Very low | 84 Ų | 84 | 135.6 Ų | 135.6 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | trans | -81.3 | 117.1 | 180 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 304 | Q | 42.2 | Very low | 37.8 | Very low | 151 Ų | 151 | 134 Ų | 134 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -113.9 | 137.4 | 172.3 | -66.8 | -169.7 | -8.1 | 0 | 0 | 110.7 | E302 I306 | E302-Q304 PolarHBondContact O-N 2.8Å; Q304-I306 PolarHBondContact O-N 3.43Å | ||
| 305 | P | 32.6 | Very low | 38.2 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -75.4 | 118.1 | 172.7 | 30.6 | -32.1 | 0 | 0 | 0 | 110 | V307 | P305-V307 PolarHBondContact O-N 3.19Š| ||
| 306 | I | 39.8 | Very low | 38.4 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | trans | -92.4 | 99.4 | -177.6 | -50.9 | 178.7 | 0 | 0 | 0 | 109.7 | Q304 | Q304-I306 PolarHBondContact O-N 3.43Š| ||
| 307 | V | 39.2 | Very low | 38.8 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | trans | -81.5 | 124.3 | 166.9 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | P305 T309 | P305-V307 PolarHBondContact O-N 3.19Å; V307-T309 PolarHBondContact O-N 3.45Å | ||
| 308 | A | 34.2 | Very low | 39.2 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | trans | -94.3 | 77.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 309 | T | 43 | Very low | 39.7 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -113.4 | 127.7 | 166.6 | -45.1 | 0 | 0 | 0 | 0 | 108.3 | V307 | V307-T309 PolarHBondContact O-N 3.45Š| ||
| 310 | G | 35.9 | Very low | 40.1 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -138.9 | 154 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 311 | E | 48.8 | Very low | 40.9 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -151.7 | 157.8 | 157 | -103.8 | -171.7 | 98 | 0 | 0 | 109.6 | ||||
| 312 | P | 45.2 | Very low | 41.3 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | trans | -93.6 | 160.2 | -167.3 | 36.1 | -35.7 | 0 | 0 | 0 | 115.4 | ||||
| 313 | P | 43.6 | Very low | 41.5 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | -100.5 | 172.5 | -171.7 | 39.7 | -37.4 | 0 | 0 | 0 | 115.4 | ||||
| 314 | T | 44.1 | Very low | 41.7 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -121.2 | 144.7 | 171.5 | 48.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 315 | L | 40.6 | Very low | 41.5 | Very low | 141 Ų | 141 | 128 Ų | 128 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -65.2 | 156.8 | -179.4 | -131.6 | 76.8 | 0 | 0 | 0 | 112.8 | D317 | L315-D317 WeakPolarHBondContact CD2-OD2 3.4Š| ||
| 316 | K | 43.6 | Very low | 41.6 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | 179 | 153.8 | 80.6 | -80.5 | 176.6 | -173.8 | 162.4 | 0 | 108.3 | S418 | K316-S418 PolarHBondContact NZ-O 2.67Å; K316-S418 PolarHBondContact NZ-OXT 3.48Å | |||
| 317 | D | 41.1 | Very low | 41.4 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 65% | 0.647 | 78% | 0.782 | S | S | * | * | cis | -171.2 | -177.3 | -21 | -145.2 | -58.5 | 0 | 0 | 0 | 109.9 | L315 | L315-D317 WeakPolarHBondContact CD2-OD2 3.4Š| ||
| 318 | I | 43.1 | Very low | 41.2 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | 80.3 | 152.9 | 158 | -67.3 | 163.7 | 0 | 0 | 0 | 119.5 | ||||
| 319 | R | 42.6 | Very low | 41.4 | Very low | 227 Ų | 227 | 130.1 Ų | 130.1 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -139.5 | -160.8 | -153.1 | -138.3 | -161.5 | 129.5 | -165.5 | -0.2 | 112.4 | ||||
| 320 | P | 47.1 | Very low | 41.1 | Very low | 91 Ų | 91 | 129 Ų | 129 | 59% | 0.591 | 80% | 0.802 | S | S | * | * | trans | -125 | -135.8 | -136.9 | 45.4 | -22.3 | 0 | 0 | 0 | 111.3 | ||||
| 321 | P | 46.5 | Very low | 41.1 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | -124.5 | 178.7 | -32.3 | 37.9 | -21.9 | 0 | 0 | 0 | 113.8 | ||||
| 322 | G | 42.6 | Very low | 40.6 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -143.4 | 128.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 323 | V | 43.4 | Very low | 40.1 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -57.8 | 151.4 | -172.9 | -73.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 324 | A | 36.2 | Very low | 40.2 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | 19.4 | 157.2 | 138.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 325 | A | 39.2 | Very low | 39.7 | Very low | 83 Ų | 83 | 130.6 Ų | 130.6 | 69% | 0.686 | 80% | 0.8 | S | S | * | * | cis | -160.8 | 166 | 19.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 326 | F | 33 | Very low | 39.6 | Very low | 215 Ų | 215 | 135 Ų | 135 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | trans | 37.7 | 130.9 | 147.7 | -92.1 | -97.1 | 0 | 0 | 0 | 122.8 | ||||
| 327 | G | 36.2 | Very low | 39.4 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 168.7 | 90.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 328 | S | 34.2 | Very low | 39 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -95.6 | 136.3 | -178.7 | -54.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 329 | A | 39.5 | Very low | 38.9 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | trans | -152.7 | 150.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 330 | A | 35.7 | Very low | 38.9 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 93% | 0.926 | 82% | 0.819 | S | S | * | * | trans | -84.5 | 157.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 331 | G | 37.1 | Very low | 38.9 | Very low | 77 Ų | 77 | 127.3 Ų | 127.3 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | -161 | 114.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 332 | A | 38.8 | Very low | 38.7 | Very low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -43.5 | 153.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 333 | Y | 33.9 | Very low | 38.5 | Very low | 218 Ų | 218 | 132.3 Ų | 132.3 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | trans | -67.1 | 162 | 156.9 | -64.3 | -89 | 0 | 0 | 0 | 111.6 | ||||
| 334 | P | 45.2 | Very low | 38.2 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | -132.8 | 155.9 | 113.7 | 37.4 | -30.8 | 0 | 0 | 0 | 114.7 | |||||
| 335 | Q | 34 | Very low | 38.6 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | trans | -78.8 | 152.1 | 166.4 | -66.4 | -87 | -34.5 | 0 | 0 | 110.2 | ||||
| 336 | Y | 39.6 | Very low | 38.8 | Very low | 233 Ų | 233 | 134.1 Ų | 134.1 | 91% | 0.914 | 84% | 0.835 | S | S | * | * | trans | -146.8 | 166 | 148.8 | -112.2 | -75.9 | 0 | 0 | 0 | 112.4 | ||||
| 337 | F | 38 | Very low | 39.4 | Very low | 200 Ų | 200 | 129.9 Ų | 129.9 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | -103.1 | 169.8 | -145.8 | -145.4 | -106.1 | 0 | 0 | 0 | 114.9 | ||||
| 338 | S | 34.1 | Very low | 39.8 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | trans | -82.6 | 150.9 | 177.4 | -176 | 0 | 0 | 0 | 0 | 113 | ||||
| 339 | G | 40 | Very low | 40.1 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -160.7 | 144.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 340 | A | 43.1 | Very low | 40.1 | Very low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -120.3 | -154.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 341 | P | 47.4 | Very low | 40.3 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | -121.2 | -162.5 | -116.4 | 37.4 | -17.6 | 0 | 0 | 0 | 114.9 | |||||
| 342 | F | 40.8 | Very low | 40.3 | Very low | 203 Ų | 203 | 137.7 Ų | 137.7 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | 88.5 | 115.6 | 175.9 | -66.3 | -86 | 0 | 0 | 0 | 118.7 | ||||
| 343 | A | 39.7 | Very low | 40.5 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | -170.3 | 160.5 | 118 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 344 | A | 36.9 | Very low | 40.5 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -137.5 | 149.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 345 | T | 43.4 | Very low | 40.4 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -144.8 | 102.5 | -179.3 | -60.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 346 | T | 44.8 | Very low | 40.7 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 83% | 0.828 | 82% | 0.816 | S | S | * | * | trans | 56.6 | 140.2 | 147.7 | 60.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 347 | V | 44.7 | Very low | 41.3 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 76% | 0.758 | 81% | 0.814 | S | S | * | * | trans | -99.9 | 169.9 | 166.1 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | V349 | V347-V349 HydrophobicContact CG2-CG2 4.48Š| ||
| 348 | P | 44.4 | Very low | 41.3 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | -132.2 | 155.6 | 93.6 | 10.9 | 12.6 | 0 | 0 | 0 | 112.8 | |||||
| 349 | V | 41.9 | Very low | 42 | Very low | 126 Ų | 126 | 129 Ų | 129 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | 67.5 | 127.6 | 57 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | V347 | V347-V349 HydrophobicContact CG2-CG2 4.48Š| |||
| 350 | C | 38.2 | Very low | 42 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | cis | -134.4 | -147.4 | -1.9 | -141.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 351 | Q | 41 | Very low | 42.1 | Very low | 188 Ų | 188 | 131.6 Ų | 131.6 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | cis | -141.4 | -179.1 | 14 | -77.7 | -174.7 | -23 | 0 | 0 | 111.2 | ||||
| 352 | T | 36.4 | Very low | 41.8 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 73% | 0.73 | 81% | 0.811 | S | S | * | * | trans | -121.2 | 146 | 176.1 | -50.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 353 | T | 42.2 | Very low | 41.9 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -139.8 | 138.8 | 158.4 | 24.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 354 | C | 35.7 | Very low | 42.2 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -113.1 | 144.7 | -178.3 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 355 | S | 41.8 | Very low | 43.2 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -125.7 | 96.6 | 174 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 356 | M | 41.2 | Very low | 44.1 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -109.7 | 123.1 | 169.2 | -84.1 | -75.2 | -177.2 | 0 | 0 | 108.7 | ||||
| 357 | T | 51.8 | Low | 45.5 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -133.4 | 128 | 173.1 | 42.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 358 | N | 37.9 | Very low | 46 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -149 | 136 | 172.4 | -167.7 | 13.3 | 0 | 0 | 0 | 104.4 | S360 | N358-S360 PolarHBondContact OD1-N 3.43Š| ||
| 359 | P | 47.9 | Very low | 46.5 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | -145.2 | 143.2 | 92 | 36.2 | -19.5 | 0 | 0 | 0 | 115.5 | |||||
| 360 | S | 40.1 | Very low | 47.6 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | 31.9 | 139.3 | 127.1 | -48.5 | 0 | 0 | 0 | 0 | 122 | N358 | N358-S360 PolarHBondContact OD1-N 3.43Š| |||
| 361 | V | 45.4 | Very low | 48.2 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | 130.4 | 136.3 | 137.4 | 176.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 362 | L | 41.5 | Very low | 49.2 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | 88.9 | 139.4 | 166.1 | -120 | 68 | 0 | 0 | 0 | 120.5 | ||||
| 363 | A | 43 | Very low | 50.5 | Low | 81 Ų | 81 | 132.8 Ų | 132.8 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | -79.4 | -179.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 364 | T | 46.6 | Very low | 50.8 | Low | 126 Ų | 126 | 132.3 Ų | 132.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | -175.2 | 159.9 | 52.8 | -34.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 365 | V | 57.9 | Low | 51.5 | Low | 126 Ų | 126 | 130.1 Ų | 130.1 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | 67.1 | 125 | 162.9 | -158.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 366 | P | 61.6 | Low | 51.9 | Low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -107 | 149.6 | 155.6 | 37.5 | -29.2 | 0 | 0 | 0 | 112.9 | ||||
| 367 | P | 73.4 | Confident | 52.1 | Low | 128 Ų | 128 | 130.1 Ų | 130.1 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -86.5 | 120.7 | 173.6 | 32.3 | -31.9 | 0 | 0 | 0 | 113.6 | ||||
| 368 | T | 55.2 | Low | 52.7 | Low | 137 Ų | 137 | 128.7 Ų | 128.7 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -14.7 | 131.7 | 159.6 | -50.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 369 | V | 55 | Low | 53.4 | Low | 130 Ų | 130 | 127.7 Ų | 127.7 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 141.4 | 158.6 | -73.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 370 | P | 66 | Low | 52.9 | Low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 136 | 172.5 | 32 | -32.9 | 0 | 0 | 0 | 111.8 | ||
| 371 | F | 51.2 | Low | 53.1 | Low | 192 Ų | 192 | 135.3 Ų | 135.3 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 131.9 | 178.7 | -175.7 | -89.8 | 0 | 0 | 0 | 110.4 | ||
| 372 | M | 60.5 | Low | 52.7 | Low | 173 Ų | 173 | 139 Ų | 139 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | trans | -127.8 | 142.5 | 168.2 | -78.8 | -167.1 | 75.3 | 0 | 0 | 111.2 | ||||
| 373 | P | 65 | Low | 52.2 | Low | 99 Ų | 99 | 135.8 Ų | 135.8 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | trans | -83.8 | 155.7 | -172.2 | 34.3 | -36.6 | 0 | 0 | 0 | 113.3 | ||||
| 374 | P | 47.6 | Very low | 51.7 | Low | 134 Ų | 134 | 137.5 Ų | 137.5 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -77.4 | 142.6 | 171.9 | 32.6 | -34.3 | 0 | 0 | 0 | 111.6 | ||||
| 375 | G | 51.2 | Low | 51.1 | Low | 69 Ų | 69 | 138.9 Ų | 138.9 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -173.3 | 145.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 376 | V | 50 | Low | 50 | Low | 142 Ų | 142 | 141.2 Ų | 141.2 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | 68.1 | 101.1 | 163.6 | -166.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 377 | L | 45.8 | Very low | 48.5 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 142.5 | 158.3 | -74.5 | 158.8 | 0 | 0 | 0 | 111.6 | ||
| 378 | P | 64.1 | Low | 46.5 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 157.9 | 150.2 | 1.7 | 19.3 | 0 | 0 | 0 | 111.7 | ||
| 379 | P | 52.3 | Low | 45.1 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 159.2 | -163.3 | 36 | -37.4 | 0 | 0 | 0 | 115.8 | ||
| 380 | S | 38 | Very low | 44 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 143 | 171.1 | -50.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 381 | R | 44.4 | Very low | 42.3 | Very low | 246 Ų | 246 | 146.4 Ų | 146.4 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | trans | -119.8 | 152.5 | 157.9 | -78.4 | -168.8 | 170.4 | -159.7 | -1.8 | 110.8 | ||||
| 382 | K | 35.6 | Very low | 41.7 | Very low | 209 Ų | 209 | 144.7 Ų | 144.7 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -79.3 | 161.6 | -171.6 | -64.1 | 179.1 | 178.4 | -179.9 | 0 | 111.7 | ||||
| 383 | A | 30.9 | Very low | 40.3 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -58.7 | 153.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 384 | S | 33.4 | Very low | 38.6 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -139.7 | 134 | 150.9 | -165.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 385 | I | 34.5 | Very low | 38.5 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -80.9 | 138.6 | 176 | -65.4 | 163.5 | 0 | 0 | 0 | 107.6 | ||||
| 386 | H | 34.1 | Very low | 37.7 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | -141.3 | 132.6 | 164.9 | -127 | -90 | 0 | 0 | 0 | 112.6 | ||||
| 387 | F | 29.8 | Very low | 37 | Very low | 167 Ų | 167 | 157.6 Ų | 157.6 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -58.7 | 142.3 | 170.7 | -104.1 | -127.2 | 0 | 0 | 0 | 111 | L389 | F387-L389 HydrophobicContact CD1-CB 4.45Š| ||
| 388 | F | 31.9 | Very low | 36.6 | Very low | 200 Ų | 200 | 155.3 Ų | 155.3 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -136.7 | 95.6 | 152.4 | -126.1 | -86.7 | 0 | 0 | 0 | 110.6 | ||||
| 389 | L | 25.9 | Very low | 35.4 | Very low | 126 Ų | 126 | 155.5 Ų | 155.5 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | trans | -127.3 | 96.6 | 173.4 | -154.7 | 176.2 | 0 | 0 | 0 | 106 | F387 | F387-L389 HydrophobicContact CD1-CB 4.45Š| ||
| 390 | S | 32.7 | Very low | 34.4 | Very low | 81 Ų | 81 | 161.6 Ų | 161.6 | 57% | 0.566 | 82% | 0.821 | S | S | * | * | trans | -138.8 | 110.5 | -175.5 | -165.2 | 0 | 0 | 0 | 0 | 111.7 | I392 | S390-I392 PolarHBondContact O-N 2.74Š| ||
| 391 | L | 29.9 | Very low | 34.4 | Very low | 164 Ų | 164 | 161.7 Ų | 161.7 | 86% | 0.859 | 82% | 0.822 | S | S | * | * | trans | -75.1 | 103.7 | 168.9 | -72 | 157.5 | 0 | 0 | 0 | 109 | R393 | L391-R393 PolarHBondContact O-N 3.28Š| ||
| 392 | I | 37.2 | Very low | 34.1 | Very low | 155 Ų | 155 | 154 Ų | 154 | 80% | 0.795 | 81% | 0.805 | S | S | * | * | trans | -95.7 | 88 | 166.9 | -58.4 | -173.2 | 0 | 0 | 0 | 109.3 | S390 | S390-I392 PolarHBondContact O-N 2.74Š| ||
| 393 | R | 33.1 | Very low | 34.4 | Very low | 230 Ų | 230 | 155.9 Ų | 155.9 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -68.4 | 128.1 | 169.7 | -173.1 | -177.6 | -166.6 | 167.6 | 3 | 109 | L391 P395 | L391-R393 PolarHBondContact O-N 3.28Å; R393-P395 WeakPolarHBondContact O-CD 3.38Å | ||
| 394 | C | 28.3 | Very low | 34.8 | Very low | 125 Ų | 125 | 160.3 Ų | 160.3 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -61.2 | 140.8 | 175.4 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 395 | P | 44.6 | Very low | 35.3 | Very low | 126 Ų | 126 | 159.9 Ų | 159.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -112.9 | 141 | 144.9 | 35.3 | -28 | 0 | 0 | 0 | 111 | R393 | R393-P395 WeakPolarHBondContact O-CD 3.38Š| ||
| 396 | F | 35.7 | Very low | 35.7 | Very low | 196 Ų | 196 | 155.8 Ų | 155.8 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -92.9 | 156.2 | 178 | 177.5 | -109.8 | 0 | 0 | 0 | 110.7 | ||||
| 397 | R | 36 | Very low | 36.1 | Very low | 212 Ų | 212 | 153.1 Ų | 153.1 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | 98.5 | 141.3 | 152.5 | -150.5 | 173.8 | -173 | -131.4 | 2.5 | 119.8 | ||||
| 398 | S | 37.2 | Very low | 36.6 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 72.5 | 149.6 | 170.8 | 78.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 399 | S | 37.8 | Very low | 37.1 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | cis | -141.2 | 170.8 | 2.9 | -161.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 400 | W | 32.4 | Very low | 37.7 | Very low | 248 Ų | 248 | 147.4 Ų | 147.4 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | -64.4 | 152.6 | 173.7 | -70.2 | -10 | 0 | 0 | 0 | 113.4 | ||||
| 401 | S | 38.3 | Very low | 37.8 | Very low | 126 Ų | 126 | 151.7 Ų | 151.7 | 88% | 0.881 | 82% | 0.816 | S | S | * | * | -154.3 | 151.7 | 121.8 | -161 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 402 | S | 36.7 | Very low | 38.1 | Very low | 84 Ų | 84 | 150.5 Ų | 150.5 | 59% | 0.587 | 81% | 0.81 | S | S | * | * | trans | -113.2 | 145.9 | -173.8 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 403 | R | 42.3 | Very low | 38 | Very low | 248 Ų | 248 | 150.3 Ų | 150.3 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | trans | -137.9 | 137.2 | 152.9 | -72 | -162 | 175.2 | -160.4 | -1.2 | 110.8 | ||||
| 404 | F | 39.1 | Very low | 38.2 | Very low | 197 Ų | 197 | 149.6 Ų | 149.6 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -86.3 | 143.8 | -177.3 | -86.8 | -119.9 | 0 | 0 | 0 | 112.4 | ||||
| 405 | A | 44.2 | Very low | 38.4 | Very low | 106 Ų | 106 | 153 Ų | 153 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | 165.2 | 133.2 | 130.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 406 | G | 43.8 | Very low | 38.7 | Very low | 71 Ų | 71 | 153.4 Ų | 153.4 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | cis | 164.8 | 150.8 | -9.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 407 | S | 40.7 | Very low | 39.1 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 64.2 | 146 | 170 | -93.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 408 | T | 42.1 | Very low | 39.9 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 66% | 0.663 | 83% | 0.825 | S | S | * | * | cis | -166.3 | 155.7 | -17.9 | 2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 409 | I | 41.4 | Very low | 40 | Very low | 162 Ų | 162 | 150 Ų | 150 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | trans | 66.4 | 138.5 | 154.4 | -67.7 | 163.1 | 0 | 0 | 0 | 116 | ||||
| 410 | S | 38.1 | Very low | 40.1 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | cis | -159.2 | 163.5 | -17 | 173.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 411 | Q | 35.5 | Very low | 40.6 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | trans | -62.7 | 149.7 | 168.4 | -59.3 | 169.1 | -35.3 | 0 | 0 | 112 | ||||
| 412 | L | 36.8 | Very low | 40.7 | Very low | 139 Ų | 139 | 147.5 Ų | 147.5 | 73% | 0.728 | 82% | 0.815 | S | S | * | * | -161.6 | 128.3 | 115.2 | -134.7 | 74.3 | 0 | 0 | 0 | 112.1 | R414 | L412-R414 HydrophobicContact CD2-CG 4.29Š| |||
| 413 | L | 33.8 | Very low | 41 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 80% | 0.796 | 83% | 0.829 | S | S | * | * | trans | -87.1 | 143.6 | 154.6 | -78.3 | 90.8 | 0 | 0 | 0 | 108.8 | ||||
| 414 | R | 37.2 | Very low | 40.9 | Very low | 215 Ų | 215 | 145.1 Ų | 145.1 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -141.8 | 120.6 | 150.9 | -75.4 | -163.3 | 175.6 | -172.1 | -0.9 | 111.3 | L412 | L412-R414 HydrophobicContact CD2-CG 4.29Š| ||
| 415 | F | 32.9 | Very low | 41 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -72.5 | 141.8 | 152.1 | -89.4 | -109.1 | 0 | 0 | 0 | 108.9 | ||||
| 416 | T | 51.5 | Low | 40.8 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -141 | 137.7 | 154.8 | 49.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 417 | T | 42.6 | Very low | 40.5 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -83.2 | 148.2 | -170.3 | 47.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 418 | S | 53.7 | Low | 40.5 | Very low | 161 Ų | 161 | 153.2 Ų | 153.2 | 100% | 1.126 | 82% | 0.822 | S | S | * | * | trans | -154.4 | 0 | 146.5 | -160.6 | 0 | 0 | 0 | 0 | 110 | K316 | K316-S418 PolarHBondContact NZ-O 2.67Å; K316-S418 PolarHBondContact NZ-OXT 3.48Å |
Retrieved 418 of 418 residues in 166.5 ms
(Link to these results)