| 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 | N | 58.3 | Low | 76 | Confident | 161 Ų | 161 | 85.4 Ų | 85.4 | 86% | 0.861 | 46% | 0.455 | S | S | * | . | 0 | 84.4 | 0 | -161.1 | 12.1 | 0 | 0 | 0 | 108.9 | |||||
| 2 | T | 75 | Confident | 76.6 | Confident | 89 Ų | 89 | 81.3 Ų | 81.3 | 55% | 0.546 | 43% | 0.434 | S | S | . | . | trans | -103.5 | 115.8 | -176 | -49.1 | 0 | 0 | 0 | 0 | 108 | L19 | T2-L19 HydrophobicContact CG2-CD1 3.83Å; T2-L19 WeakPolarHBondContact O-CB 3.31Å; T2-L19 WeakPolarHBondContact O-CG 3.13Å; T2-L19 PolarHBondContact O-N 2.83Å | ||
| 3 | V | 80.8 | Confident | 77.4 | Confident | 43 Ų | 43 | 76.3 Ų | 76.3 | 26% | 0.261 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.8 | -177.4 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | Y16 L17 I25 | V3-Y16 HydrophobicContact CG1-CD2 3.94Å; V3-Y16 HydrophobicContact CG1-CG 3.99Å; V3-L17 WeakPolarHBondContact CA-O 3.38Å; V3-L17 WeakPolarHBondContact CG1-O 3.23Å; V3-I25 HydrophobicContact CG2-CD1 4.39Å |
| 4 | V | 84.1 | Confident | 78.2 | Confident | 66 Ų | 66 | 71.6 Ų | 71.6 | 40% | 0.4 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 142.4 | 177.3 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | L17 L19 | V4-L17 PolarHBondContact N-O 3.24Å; V4-L17 VanDerWaalsContact N-O 3.09Å; V4-L17 PolarHBondContact O-N 2.95Å; V4-L19 HydrophobicContact CG2-CD1 3.89Å; V4-L19 HydrophobicContact CG2-CD2 3.97Å; V4-L19 HydrophobicContact CG2-CG 4.04Å |
| 5 | Y | 86.2 | Confident | 78.9 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 22% | 0.216 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.2 | 173.7 | -68.9 | -120.6 | 0 | 0 | 0 | 108.9 | I14 R15 Y16 I38 R40 | Y5-I14 HydrophobicContact CD1-CG2 4.13Å; Y5-R15 WeakPolarHBondContact CA-O 3.45Å; Y5-Y16 AromaticContact CD1-CD1 3.65Å; Y5-Y16 HydrophobicContact CD1-CD1 3.65Å; Y5-Y16 AromaticContact CD1-CE1 3.23Å; Y5-Y16 HydrophobicContact CD1-CE1 3.23Å; Y5-Y16 AromaticContact CE1-CD1 3.64Å; Y5-Y16 HydrophobicContact CE1-CD1 3.64Å; Y5-Y16 AromaticContact CE1-CE1 2.8Å; Y5-Y16 HydrophobicContact CE1-CE1 2.8Å; Y5-Y16 HydrophobicContact CE1-CE2 4.13Å; Y5-Y16 AromaticContact CE1-CZ 3.12Å; Y5-Y16 VanDerWaalsContact CE1-OH 3.23Å; Y5-Y16 WeakPolarHBondContact CE1-OH 3.42Å; Y5-Y16 HydrophobicContact CE2-CD1 4.38Å; Y5-Y16 HydrophobicContact CE2-CE1 4.11Å; Y5-Y16 HydrophobicContact CE2-CE2 4.39Å; Y5-Y16 HydrophobicContact CG-CD1 4.15Å; Y5-Y16 HydrophobicContact CG-CE1 4.11Å; Y5-Y16 AromaticContact CZ-CD1 3.95Å; Y5-Y16 AromaticContact CZ-CE1 3.26Å; Y5-Y16 AromaticContact CZ-CE2 3.7Å; Y5-Y16 AromaticContact CZ-CZ 3.12Å; Y5-Y16 VanDerWaalsContact CZ-OH 3.31Å; Y5-Y16 VanDerWaalsContact OH-CE2 3.31Å; Y5-Y16 WeakPolarHBondContact OH-CE2 3.39Å; Y5-Y16 PolarHBondContact OH-OH 3.3Å; Y5-I38 VanDerWaalsContact CB-CD1 3.45Å; Y5-I38 HydrophobicContact CD1-CD1 3.89Å; Y5-I38 HydrophobicContact CD1-CG2 3.7Å; Y5-I38 HydrophobicContact CE1-CG2 3.84Å; Y5-I38 HydrophobicContact CG-CD1 4.07Å; Y5-I38 HydrophobicContact CG-CG2 4.5Å; Y5-R40 WeakPolarHBondContact OH-CD 3.25Å; Y5-R40 WeakPolarHBondContact OH-CG 3.36Å; Y5-R40 PolarHBondContact OH-NE 2.92Å |
| 6 | S | 77 | Confident | 79.7 | Confident | 37 Ų | 37 | 68.1 Ų | 68.1 | 26% | 0.259 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 134.5 | 178.6 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | R15 | S6-R15 PolarHBondContact N-O 2.78Å; S6-R15 PolarHBondContact O-N 3.07Å |
| 7 | S | 77.3 | Confident | 80.3 | Confident | 40 Ų | 40 | 65.8 Ų | 65.8 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 133.2 | 164 | -172.2 | 0 | 0 | 0 | 0 | 108.7 | D12 | S7-D12 PolarHBondContact OG-O 3.15Å |
| 8 | N | 74.4 | Confident | 80.8 | Confident | 42 Ų | 42 | 62.3 Ų | 62.3 | 23% | 0.225 | 33% | 0.326 | C | S | . | . | trans | -82.3 | 160.9 | 169.9 | 88.2 | 26 | 0 | 0 | 0 | 110 | I10 D11 R15 | N8-I10 VanDerWaalsContact C-N 3.32Å; N8-I10 WeakPolarHBondContact OD1-CA 3.16Å; N8-I10 PolarHBondContact OD1-N 2.95Å; N8-D11 PolarHBondContact ND2-OD1 3.39Å; N8-D11 PolarHBondContact ND2-OD2 3.46Å; N8-D11 VanDerWaalsContact ND2-OD2 3.13Å; N8-D11 PolarHBondContact OD1-N 3.44Å; N8-D11 PolarHBondContact OD1-OD1 2.89Å; N8-R15 PolarHBondContact ND2-NH2 2.89Å; N8-R15 VanDerWaalsContact ND2-NH2 3.14Å | ||
| 9 | K | 67.3 | Low | 81.2 | Confident | 176 Ų | 176 | 63.7 Ų | 63.7 | 77% | 0.765 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -8.4 | 178.1 | -80.2 | -166 | 174.2 | -158.6 | 0 | 114.4 | ||
| 10 | I | 78.7 | Confident | 81.6 | Confident | 161 Ų | 161 | 67 Ų | 67 | 83% | 0.826 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -41.2 | -170.9 | -62.8 | 174.1 | 0 | 0 | 0 | 111.2 | N8 | N8-I10 VanDerWaalsContact C-N 3.32Å; N8-I10 WeakPolarHBondContact OD1-CA 3.16Å; N8-I10 PolarHBondContact OD1-N 2.95Å |
| 11 | D | 77.3 | Confident | 82 | Confident | 69 Ų | 69 | 68.8 Ų | 68.8 | 37% | 0.369 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | 11.2 | -169.4 | 63 | 27.9 | 0 | 0 | 0 | 114.5 | N8 T13 R15 | N8-D11 PolarHBondContact ND2-OD1 3.39Å; N8-D11 PolarHBondContact ND2-OD2 3.46Å; N8-D11 VanDerWaalsContact ND2-OD2 3.13Å; N8-D11 PolarHBondContact OD1-N 3.44Å; N8-D11 PolarHBondContact OD1-OD1 2.89Å; D11-T13 PolarHBondContact O-N 3.45Å; D11-T13 PolarHBondContact O-OG1 2.88Å; D11-T13 WeakPolarHBondContact OD1-CB 3.48Å; D11-T13 PolarHBondContact OD1-N 3.07Å; D11-T13 PolarHBondContact OD1-OG1 2.99Å; D11-T13 VanDerWaalsContact OD1-OG1 3.07Å; D11-R15 VanDerWaalsContact CG-NH2 3.29Å; D11-R15 IonicContact OD1-NH2 3.07Å; D11-R15 PolarHBondContact OD1-NH2 3.26Å; D11-R15 IonicContact OD2-CZ 3.97Å; D11-R15 IonicContact OD2-NH2 2.71Å; D11-R15 PolarHBondContact OD2-NH2 3.17Å |
| 12 | D | 82.9 | Confident | 83.4 | Confident | 37 Ų | 37 | 67 Ų | 67 | 20% | 0.198 | 35% | 0.347 | C | S | . | . | trans | 49 | 12.9 | -178.7 | -77.6 | -34 | 0 | 0 | 0 | 114.7 | S7 I14 H31 K33 R34 | S7-D12 PolarHBondContact OG-O 3.15Å; D12-I14 PolarHBondContact O-N 2.88Å; D12-H31 HydrophobicContact CB-CB 4.46Å; D12-H31 VanDerWaalsContact CB-O 3.26Å; D12-H31 WeakPolarHBondContact CB-O 3.47Å; D12-H31 WeakPolarHBondContact O-CB 3.18Å; D12-K33 VanDerWaalsContact CG-C 3.4Å; D12-K33 WeakPolarHBondContact OD2-CA 3.48Å; D12-K33 PolarHBondContact OD2-N 3.41Å; D12-R34 WeakPolarHBondContact OD1-CA 3.39Å; D12-R34 PolarHBondContact OD1-N 3.09Å; D12-R34 PolarHBondContact OD2-N 3.41Å | ||
| 13 | T | 86.6 | Confident | 84.1 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 10% | 0.098 | 35% | 0.352 | C | S | . | . | trans | -75.7 | 127 | -176.5 | -62.1 | 0 | 0 | 0 | 0 | 108.7 | D11 R15 | D11-T13 PolarHBondContact O-N 3.45Å; D11-T13 PolarHBondContact O-OG1 2.88Å; D11-T13 WeakPolarHBondContact OD1-CB 3.48Å; D11-T13 PolarHBondContact OD1-N 3.07Å; D11-T13 PolarHBondContact OD1-OG1 2.99Å; D11-T13 VanDerWaalsContact OD1-OG1 3.07Å; T13-R15 HydrophobicContact CG2-CG 4.34Å | ||
| 14 | I | 89.2 | Confident | 84.4 | Confident | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.056 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 133 | 175 | -59.5 | 177.9 | 0 | 0 | 0 | 108.7 | Y5 D12 F28 H31 A35 I38 | Y5-I14 HydrophobicContact CD1-CG2 4.13Å; D12-I14 PolarHBondContact O-N 2.88Å; I14-F28 HydrophobicContact CB-CB 4.2Å; I14-F28 PolarHBondContact N-O 2.88Å; I14-F28 PolarHBondContact O-N 2.85Å; I14-H31 WeakPolarHBondContact CD1-NE2 3.34Å; I14-A35 HydrophobicContact CD1-CB 3.81Å; I14-A35 HydrophobicContact CG1-CB 4.33Å; I14-I38 HydrophobicContact CD1-CD1 4.1Å; I14-I38 HydrophobicContact CD1-CG1 4.16Å; I14-I38 HydrophobicContact CG2-CD1 3.81Å |
| 15 | R | 88.6 | Confident | 84.8 | Confident | 40 Ų | 40 | 74.4 Ų | 74.4 | 15% | 0.151 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.7 | -176.3 | -52.8 | 180 | -169.5 | -110.6 | -11.4 | 110.8 | Y5 S6 N8 D11 T13 Y24 R26 Y27 | Y5-R15 WeakPolarHBondContact CA-O 3.45Å; S6-R15 PolarHBondContact N-O 2.78Å; S6-R15 PolarHBondContact O-N 3.07Å; N8-R15 PolarHBondContact ND2-NH2 2.89Å; N8-R15 VanDerWaalsContact ND2-NH2 3.14Å; D11-R15 VanDerWaalsContact CG-NH2 3.29Å; D11-R15 IonicContact OD1-NH2 3.07Å; D11-R15 PolarHBondContact OD1-NH2 3.26Å; D11-R15 IonicContact OD2-CZ 3.97Å; D11-R15 IonicContact OD2-NH2 2.71Å; D11-R15 PolarHBondContact OD2-NH2 3.17Å; T13-R15 HydrophobicContact CG2-CG 4.34Å; R15-Y24 HydrophobicContact CB-CD1 3.55Å; R15-Y24 HydrophobicContact CB-CE1 3.79Å; R15-Y24 HydrophobicContact CB-CG 4.29Å; R15-Y24 HydrophobicContact CG-CD1 4.42Å; R15-R26 WeakPolarHBondContact CA-O 3.26Å; R15-Y27 HydrophobicContact CG-CD1 3.83Å; R15-Y27 HydrophobicContact CG-CE1 4.16Å |
| 16 | Y | 91.5 | Very high | 84.9 | Confident | 46 Ų | 46 | 78.9 Ų | 78.9 | 18% | 0.18 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 119.4 | 171.1 | -78 | 26.7 | 0 | 0 | 0 | 108.8 | V3 Y5 Y24 I25 R26 F28 | V3-Y16 HydrophobicContact CG1-CD2 3.94Å; V3-Y16 HydrophobicContact CG1-CG 3.99Å; Y5-Y16 AromaticContact CD1-CD1 3.65Å; Y5-Y16 HydrophobicContact CD1-CD1 3.65Å; Y5-Y16 AromaticContact CD1-CE1 3.23Å; Y5-Y16 HydrophobicContact CD1-CE1 3.23Å; Y5-Y16 AromaticContact CE1-CD1 3.64Å; Y5-Y16 HydrophobicContact CE1-CD1 3.64Å; Y5-Y16 AromaticContact CE1-CE1 2.8Å; Y5-Y16 HydrophobicContact CE1-CE1 2.8Å; Y5-Y16 HydrophobicContact CE1-CE2 4.13Å; Y5-Y16 AromaticContact CE1-CZ 3.12Å; Y5-Y16 VanDerWaalsContact CE1-OH 3.23Å; Y5-Y16 WeakPolarHBondContact CE1-OH 3.42Å; Y5-Y16 HydrophobicContact CE2-CD1 4.38Å; Y5-Y16 HydrophobicContact CE2-CE1 4.11Å; Y5-Y16 HydrophobicContact CE2-CE2 4.39Å; Y5-Y16 HydrophobicContact CG-CD1 4.15Å; Y5-Y16 HydrophobicContact CG-CE1 4.11Å; Y5-Y16 AromaticContact CZ-CD1 3.95Å; Y5-Y16 AromaticContact CZ-CE1 3.26Å; Y5-Y16 AromaticContact CZ-CE2 3.7Å; Y5-Y16 AromaticContact CZ-CZ 3.12Å; Y5-Y16 VanDerWaalsContact CZ-OH 3.31Å; Y5-Y16 VanDerWaalsContact OH-CE2 3.31Å; Y5-Y16 WeakPolarHBondContact OH-CE2 3.39Å; Y5-Y16 PolarHBondContact OH-OH 3.3Å; Y16-Y24 CarbonylContact O-C 3.54Å; Y16-Y24 VanDerWaalsContact O-CA 3.25Å; Y16-Y24 WeakPolarHBondContact O-CA 3.38Å; Y16-I25 PolarHBondContact O-N 3.41Å; Y16-R26 HydrophobicContact CD2-CB 4.44Å; Y16-R26 HydrophobicContact CG-CB 4.24Å; Y16-R26 PolarHBondContact N-O 3.3Å; Y16-F28 HydrophobicContact CD1-CD2 4.14Å; Y16-F28 AromaticContact CD1-CE2 3.47Å; Y16-F28 HydrophobicContact CD1-CE2 3.47Å; Y16-F28 VanDerWaalsContact CD1-CE2 3.47Å; Y16-F28 HydrophobicContact CD1-CZ 4.36Å; Y16-F28 AromaticContact CE1-CD2 3.81Å; Y16-F28 HydrophobicContact CE1-CD2 3.81Å; Y16-F28 AromaticContact CE1-CE2 2.99Å; Y16-F28 HydrophobicContact CE1-CE2 2.99Å; Y16-F28 AromaticContact CE1-CZ 3.54Å; Y16-F28 HydrophobicContact CE1-CZ 3.54Å; Y16-F28 HydrophobicContact CE2-CE2 4.3Å; Y16-F28 HydrophobicContact CE2-CZ 4.34Å; Y16-F28 HydrophobicContact CG-CE2 4.21Å; Y16-F28 AromaticContact CZ-CE2 3.48Å; Y16-F28 VanDerWaalsContact CZ-CE2 3.48Å; Y16-F28 AromaticContact CZ-CZ 3.52Å; Y16-F28 WeakPolarHBondContact OH-CZ 3.46Å |
| 17 | L | 89.6 | Confident | 85.5 | Confident | 29 Ų | 29 | 82.9 Ų | 82.9 | 15% | 0.152 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116.5 | 174.6 | -179.9 | 62.7 | 0 | 0 | 0 | 109.7 | V3 V4 L19 Y24 | V3-L17 WeakPolarHBondContact CA-O 3.38Å; V3-L17 WeakPolarHBondContact CG1-O 3.23Å; V4-L17 PolarHBondContact N-O 3.24Å; V4-L17 VanDerWaalsContact N-O 3.09Å; V4-L17 PolarHBondContact O-N 2.95Å; L17-L19 HydrophobicContact CD2-CD2 4.24Å; L17-L19 HydrophobicContact CG-CD2 4.47Å; L17-L19 PolarHBondContact O-N 2.81Å; L17-Y24 HydrophobicContact CB-CD1 4.17Å; L17-Y24 HydrophobicContact CB-CE1 4.1Å; L17-Y24 HydrophobicContact CD1-CD1 4.2Å; L17-Y24 HydrophobicContact CD1-CE1 4.18Å |
| 18 | S | 88.9 | Confident | 86 | Confident | 4 Ų | 4 | 84.1 Ų | 84.1 | 3% | 0.028 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 119.1 | 164.5 | 176.1 | 0 | 0 | 0 | 0 | 108.1 | H20 D21 N22 K23 | S18-H20 VanDerWaalsContact C-N 3.26Å; S18-H20 PolarHBondContact OG-N 2.99Å; S18-D21 PolarHBondContact OG-N 2.87Å; S18-D21 PolarHBondContact OG-OD2 3.13Å; S18-N22 WeakPolarHBondContact O-CA 3.44Å; S18-N22 PolarHBondContact O-N 2.71Å; S18-K23 PolarHBondContact N-O 3.2Å; S18-K23 PolarHBondContact O-N 3.07Å |
| 19 | L | 88.4 | Confident | 86.5 | Confident | 88 Ų | 88 | 87 Ų | 87 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -18.8 | 174.9 | -66 | -177.9 | 0 | 0 | 0 | 112.7 | T2 V4 L17 | T2-L19 HydrophobicContact CG2-CD1 3.83Å; T2-L19 WeakPolarHBondContact O-CB 3.31Å; T2-L19 WeakPolarHBondContact O-CG 3.13Å; T2-L19 PolarHBondContact O-N 2.83Å; V4-L19 HydrophobicContact CG2-CD1 3.89Å; V4-L19 HydrophobicContact CG2-CD2 3.97Å; V4-L19 HydrophobicContact CG2-CG 4.04Å; L17-L19 HydrophobicContact CD2-CD2 4.24Å; L17-L19 HydrophobicContact CG-CD2 4.47Å; L17-L19 PolarHBondContact O-N 2.81Å |
| 20 | H | 90.1 | Very high | 87.2 | Confident | 130 Ų | 130 | 82 Ų | 82 | 60% | 0.602 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -44.1 | 176.7 | -67.9 | -24.9 | 0 | 0 | 0 | 111.4 | S18 | S18-H20 VanDerWaalsContact C-N 3.26Å; S18-H20 PolarHBondContact OG-N 2.99Å |
| 21 | D | 89.6 | Confident | 87.3 | Confident | 104 Ų | 104 | 78.4 Ų | 78.4 | 56% | 0.556 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -4.5 | -174.6 | -46.1 | -66.2 | 0 | 0 | 0 | 112.8 | S18 K23 | S18-D21 PolarHBondContact OG-N 2.87Å; S18-D21 PolarHBondContact OG-OD2 3.13Å; D21-K23 HydrophobicContact CB-CB 4.22Å; D21-K23 HydrophobicContact CB-CD 4.25Å; D21-K23 HydrophobicContact CB-CG 4.43Å; D21-K23 WeakPolarHBondContact O-CG 3.06Å; D21-K23 PolarHBondContact O-N 3.14Å; D21-K23 VanDerWaalsContact O-N 3.15Å |
| 22 | N | 88.9 | Confident | 87.1 | Confident | 125 Ų | 125 | 80.4 Ų | 80.4 | 67% | 0.668 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 38.7 | -170.1 | -164.9 | 36.6 | 0 | 0 | 0 | 112.9 | S18 | S18-N22 WeakPolarHBondContact O-CA 3.44Å; S18-N22 PolarHBondContact O-N 2.71Å |
| 23 | K | 87.8 | Confident | 86.8 | Confident | 146 Ų | 146 | 87 Ų | 87 | 64% | 0.635 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 143.9 | -175.8 | -78.8 | 171.5 | -173.9 | 178.9 | 0 | 111 | S18 D21 I25 | S18-K23 PolarHBondContact N-O 3.2Å; S18-K23 PolarHBondContact O-N 3.07Å; D21-K23 HydrophobicContact CB-CB 4.22Å; D21-K23 HydrophobicContact CB-CD 4.25Å; D21-K23 HydrophobicContact CB-CG 4.43Å; D21-K23 WeakPolarHBondContact O-CG 3.06Å; D21-K23 PolarHBondContact O-N 3.14Å; D21-K23 VanDerWaalsContact O-N 3.15Å; K23-I25 PolarHBondContact O-N 3.07Å |
| 24 | Y | 88.7 | Confident | 86.1 | Confident | 110 Ų | 110 | 94.9 Ų | 94.9 | 43% | 0.431 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 120.2 | 170.1 | -65.2 | -60.5 | 0 | 0 | 0 | 110.2 | R15 Y16 L17 Y27 | R15-Y24 HydrophobicContact CB-CD1 3.55Å; R15-Y24 HydrophobicContact CB-CE1 3.79Å; R15-Y24 HydrophobicContact CB-CG 4.29Å; R15-Y24 HydrophobicContact CG-CD1 4.42Å; Y16-Y24 CarbonylContact O-C 3.54Å; Y16-Y24 VanDerWaalsContact O-CA 3.25Å; Y16-Y24 WeakPolarHBondContact O-CA 3.38Å; L17-Y24 HydrophobicContact CB-CD1 4.17Å; L17-Y24 HydrophobicContact CB-CE1 4.1Å; L17-Y24 HydrophobicContact CD1-CD1 4.2Å; L17-Y24 HydrophobicContact CD1-CE1 4.18Å; Y24-Y27 WeakPolarHBondContact CB-OH 3.41Å; Y24-Y27 HydrophobicContact CG-CE1 4.47Å |
| 25 | I | 91.4 | Very high | 85.3 | Confident | 97 Ų | 97 | 96 Ų | 96 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -12.6 | -174.6 | 59.7 | 172 | 0 | 0 | 0 | 113.2 | V3 Y16 K23 | V3-I25 HydrophobicContact CG2-CD1 4.39Å; Y16-I25 PolarHBondContact O-N 3.41Å; K23-I25 PolarHBondContact O-N 3.07Å |
| 26 | R | 89.4 | Confident | 84.6 | Confident | 148 Ų | 148 | 100 Ų | 100 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 147.8 | 178.9 | -168 | 170.8 | -75.3 | -98.5 | -0.4 | 111.7 | R15 Y16 F28 | R15-R26 WeakPolarHBondContact CA-O 3.26Å; Y16-R26 HydrophobicContact CD2-CB 4.44Å; Y16-R26 HydrophobicContact CG-CB 4.24Å; Y16-R26 PolarHBondContact N-O 3.3Å; R26-F28 HydrophobicContact CB-CE2 4.06Å; R26-F28 VanDerWaalsContact CD-CE2 3.46Å; R26-F28 HydrophobicContact CG-CD2 4.26Å; R26-F28 HydrophobicContact CG-CE2 3.49Å; R26-F28 VanDerWaalsContact CG-CE2 3.49Å; R26-F28 HydrophobicContact CG-CZ 3.75Å |
| 27 | Y | 88.6 | Confident | 83.7 | Confident | 121 Ų | 121 | 102.9 Ų | 102.9 | 48% | 0.475 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 139.5 | 178.7 | -55.7 | -84.8 | 0 | 0 | 0 | 110.3 | R15 Y24 | R15-Y27 HydrophobicContact CG-CD1 3.83Å; R15-Y27 HydrophobicContact CG-CE1 4.16Å; Y24-Y27 WeakPolarHBondContact CB-OH 3.41Å; Y24-Y27 HydrophobicContact CG-CE1 4.47Å |
| 28 | F | 88 | Confident | 83.1 | Confident | 67 Ų | 67 | 105.3 Ų | 105.3 | 29% | 0.294 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 84.9 | 176.1 | -61.7 | -95.3 | 0 | 0 | 0 | 108.4 | I14 Y16 R26 H31 | I14-F28 HydrophobicContact CB-CB 4.2Å; I14-F28 PolarHBondContact N-O 2.88Å; I14-F28 PolarHBondContact O-N 2.85Å; Y16-F28 HydrophobicContact CD1-CD2 4.14Å; Y16-F28 AromaticContact CD1-CE2 3.47Å; Y16-F28 HydrophobicContact CD1-CE2 3.47Å; Y16-F28 VanDerWaalsContact CD1-CE2 3.47Å; Y16-F28 HydrophobicContact CD1-CZ 4.36Å; Y16-F28 AromaticContact CE1-CD2 3.81Å; Y16-F28 HydrophobicContact CE1-CD2 3.81Å; Y16-F28 AromaticContact CE1-CE2 2.99Å; Y16-F28 HydrophobicContact CE1-CE2 2.99Å; Y16-F28 AromaticContact CE1-CZ 3.54Å; Y16-F28 HydrophobicContact CE1-CZ 3.54Å; Y16-F28 HydrophobicContact CE2-CE2 4.3Å; Y16-F28 HydrophobicContact CE2-CZ 4.34Å; Y16-F28 HydrophobicContact CG-CE2 4.21Å; Y16-F28 AromaticContact CZ-CE2 3.48Å; Y16-F28 VanDerWaalsContact CZ-CE2 3.48Å; Y16-F28 AromaticContact CZ-CZ 3.52Å; Y16-F28 WeakPolarHBondContact OH-CZ 3.46Å; R26-F28 HydrophobicContact CB-CE2 4.06Å; R26-F28 VanDerWaalsContact CD-CE2 3.46Å; R26-F28 HydrophobicContact CG-CD2 4.26Å; R26-F28 HydrophobicContact CG-CE2 3.49Å; R26-F28 VanDerWaalsContact CG-CE2 3.49Å; R26-F28 HydrophobicContact CG-CZ 3.75Å; F28-H31 PolarHBondContact O-CD2 3.39Å |
| 29 | P | 85.7 | Confident | 82.5 | Confident | 102 Ų | 102 | 114.4 Ų | 114.4 | 66% | 0.662 | 58% | 0.583 | S | S | * | * | trans | -77.2 | 165.9 | 178.1 | 33 | -35.1 | 0 | 0 | 0 | 111.3 | ||||
| 30 | G | 81.9 | Confident | 81.8 | Confident | 72 Ų | 72 | 118.1 Ų | 118.1 | 74% | 0.742 | 59% | 0.591 | S | S | * | * | trans | 100.3 | 0.6 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 31 | H | 80.8 | Confident | 80.9 | Confident | 85 Ų | 85 | 115.3 Ų | 115.3 | 39% | 0.394 | 59% | 0.59 | S | S | . | * | trans | -78 | 119.6 | 164.8 | -63.2 | -76.3 | 0 | 0 | 0 | 108.7 | D12 I14 F28 | D12-H31 HydrophobicContact CB-CB 4.46Å; D12-H31 VanDerWaalsContact CB-O 3.26Å; D12-H31 WeakPolarHBondContact CB-O 3.47Å; D12-H31 WeakPolarHBondContact O-CB 3.18Å; I14-H31 WeakPolarHBondContact CD1-NE2 3.34Å; F28-H31 PolarHBondContact O-CD2 3.39Å | ||
| 32 | S | 73.2 | Confident | 80 | Confident | 110 Ų | 110 | 116.9 Ų | 116.9 | 77% | 0.769 | 60% | 0.598 | S | S | * | * | trans | -95.3 | 3.5 | 179.1 | -48.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 33 | K | 75.6 | Confident | 78.7 | Confident | 175 Ų | 175 | 118.3 Ų | 118.3 | 76% | 0.761 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -145.3 | 149.6 | -178.6 | -67 | -176.5 | -177.7 | 177 | 0 | 109.3 | D12 A35 | D12-K33 VanDerWaalsContact CG-C 3.4Å; D12-K33 WeakPolarHBondContact OD2-CA 3.48Å; D12-K33 PolarHBondContact OD2-N 3.41Å; K33-A35 PolarHBondContact O-N 2.77Å; K33-A35 VanDerWaalsContact O-N 3.15Å |
| 34 | R | 72.8 | Confident | 77.5 | Confident | 182 Ų | 182 | 116.1 Ų | 116.1 | 69% | 0.687 | 61% | 0.608 | S | S | * | * | trans | -52.5 | 118.6 | 174.6 | -165.8 | 170.7 | -175.9 | -172.8 | -3.5 | 111.3 | D12 S36 | D12-R34 WeakPolarHBondContact OD1-CA 3.39Å; D12-R34 PolarHBondContact OD1-N 3.09Å; D12-R34 PolarHBondContact OD2-N 3.41Å; R34-S36 PolarHBondContact O-N 2.76Å | ||
| 35 | A | 71.3 | Confident | 76.4 | Confident | 35 Ų | 35 | 116.4 Ų | 116.4 | 29% | 0.289 | 62% | 0.621 | S | S | . | * | trans | -71.6 | 125.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I14 K33 | I14-A35 HydrophobicContact CD1-CB 3.81Å; I14-A35 HydrophobicContact CG1-CB 4.33Å; K33-A35 PolarHBondContact O-N 2.77Å; K33-A35 VanDerWaalsContact O-N 3.15Å | ||
| 36 | S | 75.6 | Confident | 74.6 | Confident | 124 Ų | 124 | 116.8 Ų | 116.8 | 87% | 0.867 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -94.7 | -23.4 | 174.2 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | R34 | R34-S36 PolarHBondContact O-N 2.76Š|
| 37 | C | 72 | Confident | 73 | Confident | 106 Ų | 106 | 117.3 Ų | 117.3 | 72% | 0.716 | 64% | 0.643 | S | S | * | * | trans | -144.8 | 151.5 | 178.3 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 38 | I | 77.1 | Confident | 71.5 | Confident | 80 Ų | 80 | 117.8 Ų | 117.8 | 41% | 0.41 | 65% | 0.652 | S | S | . | * | trans | -131.7 | 125.9 | 177.3 | -56.5 | 174.9 | 0 | 0 | 0 | 107.3 | Y5 I14 | Y5-I38 VanDerWaalsContact CB-CD1 3.45Å; Y5-I38 HydrophobicContact CD1-CD1 3.89Å; Y5-I38 HydrophobicContact CD1-CG2 3.7Å; Y5-I38 HydrophobicContact CE1-CG2 3.84Å; Y5-I38 HydrophobicContact CG-CD1 4.07Å; Y5-I38 HydrophobicContact CG-CG2 4.5Å; I14-I38 HydrophobicContact CD1-CD1 4.1Å; I14-I38 HydrophobicContact CD1-CG1 4.16Å; I14-I38 HydrophobicContact CG2-CD1 3.81Å | ||
| 39 | Y | 75.8 | Confident | 69.9 | Low | 196 Ų | 196 | 123.2 Ų | 123.2 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | trans | -108.4 | 134.9 | 175.8 | -179.8 | -101.4 | 0 | 0 | 0 | 109.9 | A41 | Y39-A41 HydrophobicContact CE1-CB 4.05Š| ||
| 40 | R | 73.4 | Confident | 68.1 | Low | 166 Ų | 166 | 127.2 Ų | 127.2 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | trans | -100 | 116.1 | 168.2 | -66.9 | 177.3 | 72.8 | -170.2 | -4 | 107.4 | Y5 N42 | Y5-R40 WeakPolarHBondContact OH-CD 3.25Å; Y5-R40 WeakPolarHBondContact OH-CG 3.36Å; Y5-R40 PolarHBondContact OH-NE 2.92Å; R40-N42 PolarHBondContact O-N 2.94Å; R40-N42 VanDerWaalsContact O-N 3.17Å | ||
| 41 | A | 72.6 | Confident | 66.3 | Low | 70 Ų | 70 | 130.8 Ų | 130.8 | 58% | 0.579 | 72% | 0.722 | S | S | * | * | trans | -67.8 | 112.9 | 167 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y39 L43 | Y39-A41 HydrophobicContact CE1-CB 4.05Å; A41-L43 PolarHBondContact O-N 3.06Å | ||
| 42 | N | 68.9 | Low | 65.6 | Low | 137 Ų | 137 | 133.1 Ų | 133.1 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | -78.2 | 102.7 | 163.5 | -90.3 | -52.4 | 0 | 0 | 0 | 107.1 | R40 S44 | R40-N42 PolarHBondContact O-N 2.94Å; R40-N42 VanDerWaalsContact O-N 3.17Å; N42-S44 PolarHBondContact O-N 3.42Å | ||
| 43 | L | 61.3 | Low | 65.1 | Low | 155 Ų | 155 | 134.3 Ų | 134.3 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | -73.5 | 75.7 | 159.6 | -90.7 | 96.4 | 0 | 0 | 0 | 108.2 | A41 V45 | A41-L43 PolarHBondContact O-N 3.06Å; L43-V45 VanDerWaalsContact C-N 3.3Å; L43-V45 PolarHBondContact O-N 2.76Å | ||
| 44 | S | 62.6 | Low | 64.6 | Low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -76.2 | 96.6 | 149.4 | 54 | 0 | 0 | 0 | 0 | 105.7 | N42 | N42-S44 PolarHBondContact O-N 3.42Š| ||
| 45 | V | 65.8 | Low | 64.1 | Low | 116 Ų | 116 | 129.1 Ų | 129.1 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | trans | -49.4 | 123 | 176 | -156.8 | 0 | 0 | 0 | 0 | 108.2 | L43 L47 | L43-V45 VanDerWaalsContact C-N 3.3Å; L43-V45 PolarHBondContact O-N 2.76Å; V45-L47 PolarHBondContact O-N 3.31Å | ||
| 46 | P | 54.4 | Low | 63.6 | Low | 105 Ų | 105 | 134.9 Ų | 134.9 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -67.2 | 113.5 | 169.4 | 25.5 | -28.6 | 0 | 0 | 0 | 106.7 | I48 | P46-I48 PolarHBondContact O-N 3.26Š| ||
| 47 | L | 55.7 | Low | 62.8 | Low | 159 Ų | 159 | 135.7 Ų | 135.7 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -61 | 92 | 159.9 | -71.2 | 169.3 | 0 | 0 | 0 | 105.8 | V45 Q49 | V45-L47 PolarHBondContact O-N 3.31Å; L47-Q49 PolarHBondContact O-N 3.26Å | ||
| 48 | I | 56.4 | Low | 62.2 | Low | 130 Ų | 130 | 137.8 Ų | 137.8 | 67% | 0.667 | 76% | 0.763 | S | S | * | * | trans | -67.2 | 84.7 | 157.9 | -53.2 | 173.6 | 0 | 0 | 0 | 104.1 | P46 K50 | P46-I48 PolarHBondContact O-N 3.26Å; I48-K50 HydrophobicContact CG2-CG 3.52Å; I48-K50 PolarHBondContact O-N 3.46Å | ||
| 49 | Q | 54.9 | Low | 61 | Low | 181 Ų | 181 | 142.2 Ų | 142.2 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -62.7 | 89.7 | 153.9 | -87.8 | 179.7 | -33.8 | 0 | 0 | 105.1 | L47 G51 | L47-Q49 PolarHBondContact O-N 3.26Å; Q49-G51 VanDerWaalsContact C-N 3.25Å; Q49-G51 PolarHBondContact O-N 3.15Å | ||
| 50 | K | 47.9 | Very low | 59.8 | Low | 186 Ų | 186 | 137.8 Ų | 137.8 | 81% | 0.809 | 79% | 0.792 | S | S | * | * | trans | -65.4 | 95.4 | 161.8 | -70.8 | -157 | 172.6 | -170.9 | 0 | 106.4 | I48 | I48-K50 HydrophobicContact CG2-CG 3.52Å; I48-K50 PolarHBondContact O-N 3.46Å | ||
| 51 | G | 43.8 | Very low | 58.6 | Low | 147 Ų | 147 | 135.2 Ų | 135.2 | 100% | 1.515 | 81% | 0.808 | S | S | * | * | trans | -81.4 | 0 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q49 | Q49-G51 VanDerWaalsContact C-N 3.25Å; Q49-G51 PolarHBondContact O-N 3.15Å |
Retrieved 51 of 51 residues in 11.3 ms
(Link to these results)