| 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 | 37.4 | Very low | 67.1 | Low | 227 Ų | 227 | 116.7 Ų | 116.7 | 100% | 1.118 | 66% | 0.661 | S | S | * | * | 0 | 121 | 0 | -68.4 | -72.4 | -81.1 | 0 | 0 | 106.1 | |||||
| 2 | P | 46.1 | Very low | 69.5 | Low | 123 Ų | 123 | 112.8 Ų | 112.8 | 80% | 0.799 | 64% | 0.644 | S | S | * | * | trans | -60.5 | 141.4 | 173.2 | -11.8 | 25.4 | 0 | 0 | 0 | 109.4 | ||||
| 3 | E | 44 | Very low | 71.6 | Confident | 161 Ų | 161 | 110.3 Ų | 110.3 | 75% | 0.752 | 62% | 0.623 | S | S | * | * | trans | -56.3 | 133.4 | 170.7 | -76.2 | -82.7 | 145.4 | 0 | 0 | 109.5 | G5 | E3-G5 PolarHBondContact O-N 3.49Š| ||
| 4 | P | 42.7 | Very low | 73.3 | Confident | 131 Ų | 131 | 105 Ų | 105 | 85% | 0.851 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 101 | 176.8 | 12.4 | -5 | 0 | 0 | 0 | 109.8 | ||
| 5 | G | 57.3 | Low | 74.9 | Confident | 75 Ų | 75 | 101.2 Ų | 101.2 | 77% | 0.773 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.8 | -20.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | E3 | E3-G5 PolarHBondContact O-N 3.49Š|
| 6 | D | 63 | Low | 76.3 | Confident | 148 Ų | 148 | 95.6 Ų | 95.6 | 79% | 0.791 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 128.3 | -179.7 | -77.8 | -20.7 | 0 | 0 | 0 | 111.4 | ||
| 7 | A | 73.3 | Confident | 77.5 | Confident | 82 Ų | 82 | 90.1 Ų | 90.1 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 142 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | R9 | A7-R9 PolarHBondContact O-N 3.04Š|
| 8 | P | 85.1 | Confident | 78.5 | Confident | 80 Ų | 80 | 90.6 Ų | 90.6 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 128.4 | -179.4 | 22.2 | -31.5 | 0 | 0 | 0 | 110.1 | ||
| 9 | R | 94.7 | Very high | 79.5 | Confident | 123 Ų | 123 | 93.4 Ų | 93.4 | 46% | 0.464 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 137.8 | 177.7 | -63.9 | -73 | -80 | -107.3 | -9.4 | 109.6 | A7 Y17 G28 E85 | A7-R9 PolarHBondContact O-N 3.04Å; R9-Y17 HydrophobicContact CB-CD2 4.11Å; R9-Y17 PolarHBondContact O-N 3.11Å; R9-G28 PolarHBondContact NH2-O 2.91Å; R9-E85 IonicContact CZ-OE1 2.9Å; R9-E85 IonicContact CZ-OE2 3.1Å; R9-E85 IonicContact NE-OE1 2.77Å; R9-E85 PolarHBondContact NE-OE1 2.81Å; R9-E85 IonicContact NE-OE2 3.37Å; R9-E85 VanDerWaalsContact NH2-CD 3.31Å; R9-E85 IonicContact NH2-OE1 2.83Å; R9-E85 PolarHBondContact NH2-OE1 2.97Å; R9-E85 IonicContact NH2-OE2 3.34Å; R9-E85 PolarHBondContact NH2-OE2 3.46Å |
| 10 | R | 97.1 | Very high | 80.4 | Confident | 128 Ų | 128 | 90.4 Ų | 90.4 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | B | Isolated β-bridge | trans | -127.2 | 150 | -174.1 | -72.6 | 171 | -178 | -88.5 | -3.4 | 110.7 | G14 V15 P16 Y17 | R10-G14 WeakPolarHBondContact CD-O 3.49Å; R10-G14 PolarHBondContact NH1-O 3.24Å; R10-V15 CarbonylContact C-O 3.47Å; R10-V15 WeakPolarHBondContact CA-O 3.15Å; R10-P16 HydrophobicContact CG-CG 4.45Å; R10-Y17 VanDerWaalsContact O-CE2 3.3Å; R10-Y17 WeakPolarHBondContact O-CE2 3.48Å |
| 11 | S | 97.2 | Very high | 81.2 | Confident | 6 Ų | 6 | 92.7 Ų | 92.7 | 4% | 0.042 | 52% | 0.519 | C | S | . | . | trans | -60.8 | 163.5 | 168.4 | 75.9 | 0 | 0 | 0 | 0 | 110.7 | Q13 G14 V15 Q83 | S11-Q13 VanDerWaalsContact CB-OE1 3.32Å; S11-Q13 PolarHBondContact O-N 2.79Å; S11-Q13 PolarHBondContact OG-N 3.49Å; S11-Q13 PolarHBondContact OG-OE1 2.94Å; S11-G14 PolarHBondContact O-N 3.15Å; S11-V15 PolarHBondContact N-O 3.32Å; S11-V15 PolarHBondContact OG-N 3.13Å; S11-Q83 WeakPolarHBondContact CB-O 3.41Å | ||
| 12 | P | 96.6 | Very high | 84.2 | Confident | 70 Ų | 70 | 85 Ų | 85 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -22.3 | 173.4 | -24.8 | 34.6 | 0 | 0 | 0 | 114.3 | G14 Q83 S84 | P12-G14 VanDerWaalsContact C-N 3.31Å; P12-Q83 WeakPolarHBondContact CD-O 3.45Å; P12-S84 VanDerWaalsContact CG-O 3.29Å; P12-S84 WeakPolarHBondContact CG-O 3.48Å |
| 13 | Q | 96.3 | Very high | 86.7 | Confident | 80 Ų | 80 | 79.9 Ų | 79.9 | 37% | 0.374 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 2.6 | 176.7 | -54.1 | 73.3 | 26.8 | 0 | 0 | 112.8 | S11 G82 L200 | S11-Q13 VanDerWaalsContact CB-OE1 3.32Å; S11-Q13 PolarHBondContact O-N 2.79Å; S11-Q13 PolarHBondContact OG-N 3.49Å; S11-Q13 PolarHBondContact OG-OE1 2.94Å; Q13-G82 PolarHBondContact NE2-O 2.82Å; Q13-L200 VanDerWaalsContact CD-CD2 3.46Å; Q13-L200 HydrophobicContact CG-CD2 3.69Å; Q13-L200 VanDerWaalsContact NE2-CD2 3.27Å |
| 14 | G | 96.1 | Very high | 89.3 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 37% | 0.371 | 43% | 0.429 | S | S | . | . | S | Bend | trans | 86.8 | 6.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R10 S11 P12 | R10-G14 WeakPolarHBondContact CD-O 3.49Å; R10-G14 PolarHBondContact NH1-O 3.24Å; S11-G14 PolarHBondContact O-N 3.15Å; P12-G14 VanDerWaalsContact C-N 3.31Å |
| 15 | V | 96.5 | Very high | 91.9 | Very high | 48 Ų | 48 | 69.3 Ų | 69.3 | 29% | 0.291 | 39% | 0.39 | S | S | . | . | trans | -84 | 130.3 | -179.6 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | R10 S11 Y17 L20 | R10-V15 CarbonylContact C-O 3.47Å; R10-V15 WeakPolarHBondContact CA-O 3.15Å; S11-V15 PolarHBondContact N-O 3.32Å; S11-V15 PolarHBondContact OG-N 3.13Å; V15-Y17 PolarHBondContact O-N 2.72Å; V15-L20 HydrophobicContact CB-CD1 4.14Å; V15-L20 HydrophobicContact CG1-CD1 4.01Å; V15-L20 HydrophobicContact CG1-CD2 3.92Å; V15-L20 HydrophobicContact CG1-CG 3.9Å | ||
| 16 | P | 97.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 69.3 Ų | 69.3 | 7% | 0.071 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -60.3 | 133.6 | 176.8 | -23.6 | 35.4 | 0 | 0 | 0 | 112.3 | R10 S18 E19 | R10-P16 HydrophobicContact CG-CG 4.45Å; P16-S18 WeakPolarHBondContact CB-OG 3.11Å; P16-S18 PolarHBondContact O-N 2.74Å; P16-S18 VanDerWaalsContact O-N 3.15Å; P16-E19 HydrophobicContact CB-CG 4.37Å; P16-E19 WeakPolarHBondContact CG-OE1 3.38Å; P16-E19 WeakPolarHBondContact O-CB 3.46Å; P16-E19 PolarHBondContact O-N 3.38Å |
| 17 | Y | 97.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -64.3 | -19.2 | 174.2 | -79.2 | -70.3 | 0 | 0 | 0 | 113 | R9 R10 V15 E19 L20 H22 H30 Q83 S84 E85 | R9-Y17 HydrophobicContact CB-CD2 4.11Å; R9-Y17 PolarHBondContact O-N 3.11Å; R10-Y17 VanDerWaalsContact O-CE2 3.3Å; R10-Y17 WeakPolarHBondContact O-CE2 3.48Å; V15-Y17 PolarHBondContact O-N 2.72Å; Y17-E19 PolarHBondContact O-N 2.97Å; Y17-L20 HydrophobicContact CD1-CB 4.38Å; Y17-L20 HydrophobicContact CD1-CD1 4.16Å; Y17-L20 HydrophobicContact CE1-CD1 4.39Å; Y17-L20 PolarHBondContact O-N 3.46Å; Y17-L20 VanDerWaalsContact O-N 3.13Å; Y17-H22 HydrophobicContact CD1-CB 3.82Å; Y17-H22 HydrophobicContact CE1-CB 4.41Å; Y17-H22 PolarHBondContact O-CE1 2.87Å; Y17-H22 PolarHBondContact O-ND1 2.99Å; Y17-H30 HydrophobicContact CD1-CB 3.89Å; Y17-H30 HydrophobicContact CD2-CB 3.53Å; Y17-H30 AromaticContact CD2-CG 3.66Å; Y17-H30 AromaticContact CD2-ND1 3.79Å; Y17-H30 HydrophobicContact CE1-CB 3.73Å; Y17-H30 HydrophobicContact CE2-CB 3.37Å; Y17-H30 AromaticContact CE2-CG 3.98Å; Y17-H30 HydrophobicContact CG-CB 3.77Å; Y17-H30 AromaticContact CG-CG 3.9Å; Y17-H30 AromaticContact CG-ND1 3.64Å; Y17-H30 VanDerWaalsContact CZ-CB 3.45Å; Y17-H30 PolarHBondContact OH-O 3.02Å; Y17-Q83 PolarHBondContact OH-O 2.96Å; Y17-S84 VanDerWaalsContact OH-CA 3.3Å; Y17-S84 WeakPolarHBondContact OH-CA 3.46Å; Y17-E85 HydrophobicContact CE2-CG 3.62Å; Y17-E85 WeakPolarHBondContact OH-CG 3.3Å; Y17-E85 PolarHBondContact OH-N 2.91Å |
| 18 | S | 95.8 | Very high | 96.7 | Very high | 99 Ų | 99 | 63 Ų | 63 | 69% | 0.692 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -62.6 | -19.3 | 170.4 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | P16 | P16-S18 WeakPolarHBondContact CB-OG 3.11Å; P16-S18 PolarHBondContact O-N 2.74Å; P16-S18 VanDerWaalsContact O-N 3.15Å |
| 19 | E | 96.6 | Very high | 97.3 | Very high | 144 Ų | 144 | 61.2 Ų | 61.2 | 67% | 0.673 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -100.7 | -6.8 | 177.5 | -63.1 | 172.4 | -149 | 0 | 0 | 112.2 | P16 Y17 | P16-E19 HydrophobicContact CB-CG 4.37Å; P16-E19 WeakPolarHBondContact CG-OE1 3.38Å; P16-E19 WeakPolarHBondContact O-CB 3.46Å; P16-E19 PolarHBondContact O-N 3.38Å; Y17-E19 PolarHBondContact O-N 2.97Å |
| 20 | L | 97.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 17% | 0.173 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -112.7 | 146.4 | -178.1 | -59 | 176.9 | 0 | 0 | 0 | 110.6 | V15 Y17 H22 F32 | V15-L20 HydrophobicContact CB-CD1 4.14Å; V15-L20 HydrophobicContact CG1-CD1 4.01Å; V15-L20 HydrophobicContact CG1-CD2 3.92Å; V15-L20 HydrophobicContact CG1-CG 3.9Å; Y17-L20 HydrophobicContact CD1-CB 4.38Å; Y17-L20 HydrophobicContact CD1-CD1 4.16Å; Y17-L20 HydrophobicContact CE1-CD1 4.39Å; Y17-L20 PolarHBondContact O-N 3.46Å; Y17-L20 VanDerWaalsContact O-N 3.13Å; L20-H22 PolarHBondContact O-N 2.8Å; L20-H22 PolarHBondContact O-ND1 2.71Å; L20-F32 HydrophobicContact CB-CD2 4.15Å; L20-F32 HydrophobicContact CB-CE2 4.42Å; L20-F32 HydrophobicContact CD1-CD2 4.13Å; L20-F32 HydrophobicContact CD2-CD2 4.43Å; L20-F32 HydrophobicContact CD2-CE2 4.15Å; L20-F32 HydrophobicContact CG-CD2 4.47Å |
| 21 | R | 98.2 | Very high | 97.6 | Very high | 139 Ų | 139 | 50.7 Ų | 50.7 | 53% | 0.525 | 29% | 0.293 | S | S | . | . | trans | -68.6 | 126 | 165.1 | -61.4 | -174.1 | -174.7 | -156.8 | 4 | 107.8 | C33 Y35 E37 | R21-C33 HydrophobicContact CB-CB 4.38Å; R21-C33 PolarHBondContact O-N 3.2Å; R21-Y35 HydrophobicContact CB-CD2 4.38Å; R21-Y35 HydrophobicContact CB-CE2 4.02Å; R21-Y35 VanDerWaalsContact CD-CD2 3.44Å; R21-E37 IonicContact NH1-OE1 3.6Å; R21-E37 PolarHBondContact NH1-OE1 2.87Å | ||
| 22 | H | 98.6 | Very high | 97.6 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 162.4 | -177.9 | 69.1 | -81.2 | 0 | 0 | 0 | 111.9 | Y17 L20 H30 L31 | Y17-H22 HydrophobicContact CD1-CB 3.82Å; Y17-H22 HydrophobicContact CE1-CB 4.41Å; Y17-H22 PolarHBondContact O-CE1 2.87Å; Y17-H22 PolarHBondContact O-ND1 2.99Å; L20-H22 PolarHBondContact O-N 2.8Å; L20-H22 PolarHBondContact O-ND1 2.71Å; H22-H30 AromaticContact CD2-CE1 3.82Å; H22-H30 AromaticContact CD2-ND1 3.07Å; H22-H30 PolarHBondContact CD2-ND1 2.96Å; H22-H30 AromaticContact CG-ND1 3.98Å; H22-H30 AromaticContact NE2-CE1 3.53Å; H22-H30 AromaticContact NE2-ND1 3.23Å; H22-H30 PolarHBondContact NE2-ND1 3.09Å; H22-L31 CarbonylContact C-O 3.56Å; H22-L31 WeakPolarHBondContact CA-O 3.44Å; H22-L31 WeakPolarHBondContact CB-O 3.35Å |
| 23 | I | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.082 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 158.9 | 164 | 61.9 | 176.3 | 0 | 0 | 0 | 109.2 | H30 L31 H104 L107 | I23-H30 CarbonylContact O-C 3.58Å; I23-H30 WeakPolarHBondContact O-CA 3.48Å; I23-L31 HydrophobicContact CD1-CD1 4.27Å; I23-L31 HydrophobicContact CG1-CB 3.93Å; I23-L31 HydrophobicContact CG1-CD1 4.26Å; I23-L31 HydrophobicContact CG1-CG 4.36Å; I23-L31 PolarHBondContact N-O 3.5Å; I23-L31 PolarHBondContact O-N 3.04Å; I23-H104 HydrophobicContact CD1-CB 3.85Å; I23-L107 HydrophobicContact CG2-CD2 3.64Å |
| 24 | V | 98.6 | Very high | 97.9 | Very high | 65 Ų | 65 | 47.2 Ų | 47.2 | 39% | 0.394 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.6 | 170.3 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | L29 Q103 | V24-L29 CarbonylContact C-O 3.57Å; V24-L29 WeakPolarHBondContact CA-O 3.43Å; V24-Q103 PolarHBondContact O-NE2 3.31Å |
| 25 | N | 98.4 | Very high | 98 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.032 | 26% | 0.259 | C | S | . | . | trans | -75.2 | 174.2 | -178.6 | 81.1 | -3.2 | 0 | 0 | 0 | 112.2 | D27 G28 L29 L31 V79 R99 D100 Q103 | N25-D27 PolarHBondContact O-N 3.34Å; N25-D27 VanDerWaalsContact O-N 3.1Å; N25-D27 WeakPolarHBondContact OD1-CA 3.35Å; N25-D27 PolarHBondContact OD1-N 3.4Å; N25-G28 PolarHBondContact O-N 2.82Å; N25-G28 PolarHBondContact OD1-N 3.11Å; N25-L29 PolarHBondContact N-O 3.34Å; N25-L29 WeakPolarHBondContact OD1-CB 3.36Å; N25-L29 PolarHBondContact OD1-N 2.94Å; N25-L29 PolarHBondContact OD1-O 3.12Å; N25-L31 HydrophobicContact CB-CD1 3.99Å; N25-L31 HydrophobicContact CB-CG 4.24Å; N25-V79 WeakPolarHBondContact ND2-CG2 3.3Å; N25-R99 PolarHBondContact ND2-NH2 2.88Å; N25-D100 PolarHBondContact ND2-OD2 3.06Å; N25-Q103 VanDerWaalsContact CA-OE1 3.29Å | ||
| 26 | A | 98 | Very high | 98.1 | Very high | 74 Ų | 74 | 46.2 Ų | 46.2 | 61% | 0.612 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 27 | D | 97.6 | Very high | 98.1 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 34% | 0.337 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 5.3 | 174.6 | -61 | -33.6 | 0 | 0 | 0 | 112.5 | N25 R92 R99 | N25-D27 PolarHBondContact O-N 3.34Å; N25-D27 VanDerWaalsContact O-N 3.1Å; N25-D27 WeakPolarHBondContact OD1-CA 3.35Å; N25-D27 PolarHBondContact OD1-N 3.4Å; D27-R92 IonicContact OD1-NH2 2.73Å; D27-R92 PolarHBondContact OD1-NH2 2.81Å; D27-R92 IonicContact OD2-NH2 3.25Å; D27-R92 PolarHBondContact OD2-NH2 3.1Å; D27-R99 VanDerWaalsContact CG-NH2 3.29Å; D27-R99 IonicContact OD1-CZ 3.23Å; D27-R99 IonicContact OD1-NH1 3.8Å; D27-R99 PolarHBondContact OD1-NH1 2.7Å; D27-R99 IonicContact OD1-NH2 3.11Å; D27-R99 IonicContact OD2-CZ 2.74Å; D27-R99 IonicContact OD2-NH1 3.5Å; D27-R99 PolarHBondContact OD2-NH1 2.9Å; D27-R99 VanDerWaalsContact OD2-NH1 3.1Å; D27-R99 IonicContact OD2-NH2 3.53Å; D27-R99 PolarHBondContact OD2-NH2 3.36Å |
| 28 | G | 97.8 | Very high | 98.1 | Very high | 35 Ų | 35 | 51 Ų | 51 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 77.5 | 18.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R9 N25 | R9-G28 PolarHBondContact NH2-O 2.91Å; N25-G28 PolarHBondContact O-N 2.82Å; N25-G28 PolarHBondContact OD1-N 3.11Å |
| 29 | L | 98.1 | Very high | 98.1 | Very high | 43 Ų | 43 | 51.6 Ų | 51.6 | 23% | 0.225 | 28% | 0.282 | C | S | . | . | trans | -94.3 | 137.3 | 176.1 | -59.5 | 179 | 0 | 0 | 0 | 110.8 | V24 N25 V79 E85 | V24-L29 CarbonylContact C-O 3.57Å; V24-L29 WeakPolarHBondContact CA-O 3.43Å; N25-L29 PolarHBondContact N-O 3.34Å; N25-L29 WeakPolarHBondContact OD1-CB 3.36Å; N25-L29 PolarHBondContact OD1-N 2.94Å; N25-L29 PolarHBondContact OD1-O 3.12Å; L29-V79 HydrophobicContact CD1-CG1 3.73Å; L29-V79 HydrophobicContact CD1-CG2 4.18Å; L29-E85 WeakPolarHBondContact CA-OE2 3.13Å; L29-E85 HydrophobicContact CB-CB 4.19Å; L29-E85 HydrophobicContact CD2-CB 4.18Å | ||
| 30 | H | 98.7 | Very high | 97.9 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 127.1 | 173.5 | -71.2 | -111.6 | 0 | 0 | 0 | 110.4 | Y17 H22 I23 E85 | Y17-H30 HydrophobicContact CD1-CB 3.89Å; Y17-H30 HydrophobicContact CD2-CB 3.53Å; Y17-H30 AromaticContact CD2-CG 3.66Å; Y17-H30 AromaticContact CD2-ND1 3.79Å; Y17-H30 HydrophobicContact CE1-CB 3.73Å; Y17-H30 HydrophobicContact CE2-CB 3.37Å; Y17-H30 AromaticContact CE2-CG 3.98Å; Y17-H30 HydrophobicContact CG-CB 3.77Å; Y17-H30 AromaticContact CG-CG 3.9Å; Y17-H30 AromaticContact CG-ND1 3.64Å; Y17-H30 VanDerWaalsContact CZ-CB 3.45Å; Y17-H30 PolarHBondContact OH-O 3.02Å; H22-H30 AromaticContact CD2-CE1 3.82Å; H22-H30 AromaticContact CD2-ND1 3.07Å; H22-H30 PolarHBondContact CD2-ND1 2.96Å; H22-H30 AromaticContact CG-ND1 3.98Å; H22-H30 AromaticContact NE2-CE1 3.53Å; H22-H30 AromaticContact NE2-ND1 3.23Å; H22-H30 PolarHBondContact NE2-ND1 3.09Å; I23-H30 CarbonylContact O-C 3.58Å; I23-H30 WeakPolarHBondContact O-CA 3.48Å; H30-E85 HydrophobicContact CB-CG 4.08Å; H30-E85 IonicContact CD2-OE2 2.79Å; H30-E85 PolarHBondContact N-OE2 3.02Å; H30-E85 PolarHBondContact O-N 3.49Å |
| 31 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 120.7 | 174 | -50.3 | -175.5 | 0 | 0 | 0 | 109.6 | H22 I23 N25 C33 H76 V79 S84 D100 | H22-L31 CarbonylContact C-O 3.56Å; H22-L31 WeakPolarHBondContact CA-O 3.44Å; H22-L31 WeakPolarHBondContact CB-O 3.35Å; I23-L31 HydrophobicContact CD1-CD1 4.27Å; I23-L31 HydrophobicContact CG1-CB 3.93Å; I23-L31 HydrophobicContact CG1-CD1 4.26Å; I23-L31 HydrophobicContact CG1-CG 4.36Å; I23-L31 PolarHBondContact N-O 3.5Å; I23-L31 PolarHBondContact O-N 3.04Å; N25-L31 HydrophobicContact CB-CD1 3.99Å; N25-L31 HydrophobicContact CB-CG 4.24Å; L31-C33 PolarHBondContact O-SG 3.38Å; L31-H76 HydrophobicContact CB-CB 4.39Å; L31-V79 HydrophobicContact CD2-CB 4.48Å; L31-V79 HydrophobicContact CD2-CG2 3.52Å; L31-S84 WeakPolarHBondContact CA-OG 3.42Å; L31-D100 HydrophobicContact CD1-CB 3.88Å |
| 32 | F | 98.9 | Very high | 97.7 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 136.8 | 171.9 | 172.7 | -95.5 | 0 | 0 | 0 | 110.1 | L20 R34 H76 D77 Q83 S84 | L20-F32 HydrophobicContact CB-CD2 4.15Å; L20-F32 HydrophobicContact CB-CE2 4.42Å; L20-F32 HydrophobicContact CD1-CD2 4.13Å; L20-F32 HydrophobicContact CD2-CD2 4.43Å; L20-F32 HydrophobicContact CD2-CE2 4.15Å; L20-F32 HydrophobicContact CG-CD2 4.47Å; F32-R34 HydrophobicContact CE1-CB 4.22Å; F32-H76 CarbonylContact O-C 3.6Å; F32-H76 WeakPolarHBondContact O-CA 3.32Å; F32-H76 WeakPolarHBondContact O-CB 3.29Å; F32-D77 HydrophobicContact CB-CB 4.44Å; F32-D77 WeakPolarHBondContact CD1-OD2 3.44Å; F32-D77 PolarHBondContact O-N 2.84Å; F32-Q83 HydrophobicContact CB-CB 3.63Å; F32-Q83 HydrophobicContact CD1-CB 4.27Å; F32-Q83 HydrophobicContact CD2-CB 4.01Å; F32-Q83 VanDerWaalsContact CE1-NE2 3.35Å; F32-Q83 HydrophobicContact CG-CB 3.7Å; F32-S84 PolarHBondContact N-OG 3.36Å |
| 33 | C | 98.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 143.9 | -179.4 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | R21 L31 Y35 A75 | R21-C33 HydrophobicContact CB-CB 4.38Å; R21-C33 PolarHBondContact O-N 3.2Å; L31-C33 PolarHBondContact O-SG 3.38Å; C33-Y35 HydrophobicContact CB-CD2 4.37Å; C33-Y35 HydrophobicContact CB-CE2 3.46Å; C33-Y35 VanDerWaalsContact CB-CE2 3.46Å; C33-A75 CarbonylContact C-O 3.22Å; C33-A75 WeakPolarHBondContact CA-O 3.41Å |
| 34 | R | 98.8 | Very high | 97.6 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 24% | 0.242 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 139.8 | 175.9 | -165.4 | 174.4 | -68.6 | -94.6 | 4 | 109.4 | F32 W36 S56 F74 A75 | F32-R34 HydrophobicContact CE1-CB 4.22Å; R34-W36 HydrophobicContact CB-CH2 4Å; R34-W36 HydrophobicContact CB-CZ3 4.03Å; R34-W36 HydrophobicContact CG-CD2 4.29Å; R34-W36 HydrophobicContact CG-CE3 4.2Å; R34-W36 HydrophobicContact CG-CH2 3.51Å; R34-W36 HydrophobicContact CG-CZ2 3.56Å; R34-W36 HydrophobicContact CG-CZ3 3.81Å; R34-S56 PolarHBondContact NE-OG 3.42Å; R34-F74 CarbonylContact O-C 2.9Å; R34-F74 VanDerWaalsContact O-CA 3.29Å; R34-F74 WeakPolarHBondContact O-CA 3.43Å; R34-A75 PolarHBondContact N-O 2.83Å; R34-A75 PolarHBondContact O-N 3.11Å |
| 35 | Y | 98.7 | Very high | 97.7 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 134.4 | -178.2 | -55.9 | -92.5 | 0 | 0 | 0 | 110 | R21 C33 V73 F74 H104 M108 | R21-Y35 HydrophobicContact CB-CD2 4.38Å; R21-Y35 HydrophobicContact CB-CE2 4.02Å; R21-Y35 VanDerWaalsContact CD-CD2 3.44Å; C33-Y35 HydrophobicContact CB-CD2 4.37Å; C33-Y35 HydrophobicContact CB-CE2 3.46Å; C33-Y35 VanDerWaalsContact CB-CE2 3.46Å; Y35-V73 WeakPolarHBondContact CA-O 3.37Å; Y35-F74 HydrophobicContact CD1-CB 3.53Å; Y35-F74 HydrophobicContact CE1-CB 3.84Å; Y35-F74 HydrophobicContact CG-CB 4.46Å; Y35-H104 AromaticContact CE1-NE2 3.62Å; Y35-H104 AromaticContact CZ-NE2 3.57Å; Y35-H104 PolarHBondContact OH-NE2 2.86Å; Y35-M108 HydrophobicContact CD1-CE 4.2Å; Y35-M108 HydrophobicContact CD1-SD 4.34Å; Y35-M108 HydrophobicContact CE1-CE 4.1Å; Y35-M108 HydrophobicContact CE1-SD 3.64Å |
| 36 | W | 98.7 | Very high | 97.7 | Very high | 13 Ų | 13 | 43 Ų | 43 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 94.3 | 173.1 | -57.2 | -101.1 | 0 | 0 | 0 | 107.8 | R34 E60 A63 K67 V73 A75 | R34-W36 HydrophobicContact CB-CH2 4Å; R34-W36 HydrophobicContact CB-CZ3 4.03Å; R34-W36 HydrophobicContact CG-CD2 4.29Å; R34-W36 HydrophobicContact CG-CE3 4.2Å; R34-W36 HydrophobicContact CG-CH2 3.51Å; R34-W36 HydrophobicContact CG-CZ2 3.56Å; R34-W36 HydrophobicContact CG-CZ3 3.81Å; W36-E60 VanDerWaalsContact NE1-CD 3.26Å; W36-E60 PolarHBondContact NE1-OE1 2.96Å; W36-E60 PolarHBondContact NE1-OE2 3.18Å; W36-A63 HydrophobicContact CB-CB 4.3Å; W36-A63 HydrophobicContact CD2-CB 3.31Å; W36-A63 HydrophobicContact CE3-CB 3.67Å; W36-A63 HydrophobicContact CG-CB 3.64Å; W36-A63 HydrophobicContact CH2-CB 3.95Å; W36-A63 HydrophobicContact CZ2-CB 3.66Å; W36-A63 HydrophobicContact CZ3-CB 3.99Å; W36-K67 HydrophobicContact CB-CB 4.41Å; W36-K67 HydrophobicContact CB-CD 4.08Å; W36-K67 HydrophobicContact CB-CG 4.47Å; W36-V73 HydrophobicContact CB-CB 4.2Å; W36-V73 HydrophobicContact CE3-CB 3.96Å; W36-V73 HydrophobicContact CE3-CG1 3.82Å; W36-V73 HydrophobicContact CZ3-CG1 4.07Å; W36-V73 PolarHBondContact N-O 3.4Å; W36-V73 PolarHBondContact O-N 3.36Å; W36-A75 HydrophobicContact CH2-CB 4.35Å; W36-A75 HydrophobicContact CZ3-CB 4.02Å |
| 37 | E | 97.9 | Very high | 97.7 | Very high | 94 Ų | 94 | 39.5 Ų | 39.5 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | trans | -87.8 | 128.6 | -175.4 | -67.2 | -180 | -131.5 | 0 | 0 | 110.4 | R21 K67 L72 R112 | R21-E37 IonicContact NH1-OE1 3.6Å; R21-E37 PolarHBondContact NH1-OE1 2.87Å; E37-K67 WeakPolarHBondContact O-CD 3.23Å; E37-L72 HydrophobicContact CG-CD1 4.38Å; E37-L72 HydrophobicContact CG-CG 4.3Å; E37-R112 IonicContact OE2-NH2 2.97Å | ||
| 38 | P | 97.4 | Very high | 97.8 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | trans | -72.3 | 153.7 | 176.1 | 29.6 | -34 | 0 | 0 | 0 | 110.9 | S40 P42 K67 L71 | P38-S40 VanDerWaalsContact C-N 3.28Å; P38-S40 WeakPolarHBondContact CG-O 3.38Å; P38-S40 PolarHBondContact O-N 3.36Å; P38-P42 HydrophobicContact CG-CB 3.98Å; P38-K67 HydrophobicContact CB-CG 4.19Å; P38-L71 WeakPolarHBondContact CD-O 3.49Å | ||
| 39 | A | 94.6 | Very high | 97.9 | Very high | 113 Ų | 113 | 34.9 Ų | 34.9 | 93% | 0.934 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -69.1 | -28.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 40 | S | 92.7 | Very high | 97.9 | Very high | 65 Ų | 65 | 32.9 Ų | 32.9 | 46% | 0.455 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -94.9 | 159.7 | 175.3 | -57 | 0 | 0 | 0 | 0 | 111.2 | P38 | P38-S40 VanDerWaalsContact C-N 3.28Å; P38-S40 WeakPolarHBondContact CG-O 3.38Å; P38-S40 PolarHBondContact O-N 3.36Å |
| 41 | P | 95 | Very high | 97.8 | Very high | 114 Ų | 114 | 31.5 Ų | 31.5 | 74% | 0.74 | 18% | 0.178 | S | C | * | . | P | Polyproline II helix | trans | -51.5 | 129.3 | 172.8 | -26.9 | 35.4 | 0 | 0 | 0 | 111.3 | ||
| 42 | P | 97.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 10% | 0.104 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 141.7 | -175.1 | 27.6 | -34.5 | 0 | 0 | 0 | 111.4 | P38 S70 L72 L115 | P38-P42 HydrophobicContact CG-CB 3.98Å; P42-S70 CarbonylContact C-O 3.56Å; P42-S70 VanDerWaalsContact CA-O 3.24Å; P42-S70 WeakPolarHBondContact CA-O 3.42Å; P42-L72 HydrophobicContact CB-CB 3.79Å; P42-L72 HydrophobicContact CG-CB 4.21Å; P42-L72 HydrophobicContact CG-CD1 4.49Å; P42-L115 HydrophobicContact CB-CD1 4.2Å; P42-L115 HydrophobicContact CG-CD1 3.86Å; P42-L115 WeakPolarHBondContact O-CD2 3.41Å |
| 43 | R | 97.6 | Very high | 97.5 | Very high | 91 Ų | 91 | 31.9 Ų | 31.9 | 34% | 0.343 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -90.7 | -20.2 | 178.1 | -62.2 | 175.9 | 62.1 | -160 | -1.6 | 112.8 | S70 P116 L295 P296 | R43-S70 PolarHBondContact N-O 2.9Å; R43-P116 WeakPolarHBondContact O-CD 3.43Å; R43-L295 HydrophobicContact CB-CD1 4.49Å; R43-L295 HydrophobicContact CB-CD2 4.45Å; R43-P296 PolarHBondContact NH2-O 3.07Å; R43-P296 VanDerWaalsContact NH2-O 3.11Å |
| 44 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -159.3 | 165.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L71 L72 P116 F118 L295 | A44-L71 HydrophobicContact CB-CD2 4.44Å; A44-L71 HydrophobicContact CB-CG 4.22Å; A44-L72 PolarHBondContact O-N 3.18Å; A44-P116 WeakPolarHBondContact CA-O 3.06Å; A44-P116 HydrophobicContact CB-CB 3.97Å; A44-P116 HydrophobicContact CB-CG 4.4Å; A44-P116 WeakPolarHBondContact CB-O 3.33Å; A44-F118 HydrophobicContact CB-CD2 4.01Å; A44-F118 HydrophobicContact CB-CE2 3.89Å; A44-L295 HydrophobicContact CB-CD2 3.54Å | ||
| 45 | L | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 139.6 | 168.8 | -58.4 | -179 | 0 | 0 | 0 | 109.3 | L72 F74 M108 K109 R112 L115 P116 V117 F118 | L45-L72 CarbonylContact C-O 3.17Å; L45-L72 WeakPolarHBondContact CA-O 3.45Å; L45-L72 HydrophobicContact CD2-CB 3.96Å; L45-L72 HydrophobicContact CD2-CD1 4.27Å; L45-L72 HydrophobicContact CD2-CD2 4.31Å; L45-L72 HydrophobicContact CD2-CG 4.41Å; L45-F74 HydrophobicContact CB-CE1 3.97Å; L45-M108 HydrophobicContact CD1-CB 3.97Å; L45-K109 HydrophobicContact CD1-CG 4.27Å; L45-R112 HydrophobicContact CD1-CB 4.36Å; L45-R112 HydrophobicContact CD2-CB 4.1Å; L45-R112 HydrophobicContact CD2-CG 4.14Å; L45-L115 HydrophobicContact CD2-CD1 4.05Å; L45-L115 HydrophobicContact CG-CB 4.17Å; L45-L115 HydrophobicContact CG-CD1 4.22Å; L45-P116 PolarHBondContact N-O 3.07Å; L45-V117 HydrophobicContact CB-CG2 4.35Å; L45-V117 HydrophobicContact CD1-CG2 4.29Å; L45-V117 WeakPolarHBondContact O-CA 3.13Å; L45-F118 PolarHBondContact O-N 2.9Å |
| 46 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 114.1 | 174.2 | -171 | 0 | 0 | 0 | 0 | 109.8 | L66 L71 L72 V73 F74 F118 V120 | V46-L66 HydrophobicContact CB-CD1 4.43Å; V46-L66 HydrophobicContact CG1-CD1 3.98Å; V46-L66 HydrophobicContact CG2-CD1 4.34Å; V46-L71 HydrophobicContact CG2-CB 4.11Å; V46-L71 HydrophobicContact CG2-CD2 3.6Å; V46-L71 HydrophobicContact CG2-CG 4.38Å; V46-L72 PolarHBondContact N-O 2.9Å; V46-V73 HydrophobicContact CB-CG1 4.44Å; V46-V73 HydrophobicContact CB-CG2 4.32Å; V46-V73 WeakPolarHBondContact O-CA 3.39Å; V46-F74 VanDerWaalsContact O-CD1 3.24Å; V46-F74 WeakPolarHBondContact O-CD1 3.37Å; V46-F74 PolarHBondContact O-N 2.74Å; V46-F118 WeakPolarHBondContact CA-O 3.49Å; V46-F118 HydrophobicContact CG1-CB 4.32Å; V46-F118 HydrophobicContact CG2-CB 4.27Å; V46-V120 HydrophobicContact CG1-CG2 3.7Å |
| 47 | F | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 129 | 171.2 | -178 | -117.6 | 0 | 0 | 0 | 109.9 | A49 F74 H76 S101 H104 I105 F118 I119 V120 | F47-A49 HydrophobicContact CD1-CB 4.4Å; F47-A49 HydrophobicContact CE1-CB 3.9Å; F47-F74 CarbonylContact C-O 3.51Å; F47-F74 WeakPolarHBondContact CA-O 3.47Å; F47-F74 HydrophobicContact CB-CE1 4.04Å; F47-F74 HydrophobicContact CB-CE2 4.02Å; F47-F74 HydrophobicContact CB-CZ 3.66Å; F47-F74 AromaticContact CD2-CD2 3.76Å; F47-F74 HydrophobicContact CD2-CD2 3.76Å; F47-F74 AromaticContact CD2-CE2 3.49Å; F47-F74 HydrophobicContact CD2-CE2 3.49Å; F47-F74 VanDerWaalsContact CD2-CE2 3.49Å; F47-F74 HydrophobicContact CD2-CZ 4.06Å; F47-F74 HydrophobicContact CE2-CE2 4.38Å; F47-F74 HydrophobicContact CG-CE2 4.13Å; F47-F74 HydrophobicContact CG-CZ 4.27Å; F47-H76 AromaticContact CE2-CE1 3.98Å; F47-H76 AromaticContact CE2-ND1 3.86Å; F47-H76 AromaticContact CZ-CE1 3.61Å; F47-H76 AromaticContact CZ-ND1 3.96Å; F47-H76 AromaticContact CZ-NE2 3.95Å; F47-S101 WeakPolarHBondContact CE1-OG 3.49Å; F47-H104 AromaticContact CE2-ND1 3.94Å; F47-I105 HydrophobicContact CB-CD1 4.26Å; F47-I105 HydrophobicContact CB-CG1 4.05Å; F47-I105 HydrophobicContact CD1-CD1 4.04Å; F47-I105 HydrophobicContact CD1-CG1 4.43Å; F47-I105 HydrophobicContact CG-CD1 4.18Å; F47-I105 HydrophobicContact CG-CG1 4.09Å; F47-F118 PolarHBondContact N-O 3.37Å; F47-I119 HydrophobicContact CD1-CG2 3.98Å; F47-I119 CarbonylContact O-C 3.5Å; F47-I119 WeakPolarHBondContact O-CA 3.34Å; F47-V120 PolarHBondContact O-N 3.36Å |
| 48 | I | 98.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.4 | 171.9 | -62.3 | -173.4 | 0 | 0 | 0 | 109.4 | Y59 I62 A63 V73 F74 A75 V120 | I48-Y59 HydrophobicContact CG2-CD1 3.33Å; I48-Y59 HydrophobicContact CG2-CD2 4.1Å; I48-Y59 HydrophobicContact CG2-CE1 3.87Å; I48-Y59 HydrophobicContact CG2-CG 3.47Å; I48-Y59 VanDerWaalsContact CG2-CG 3.47Å; I48-I62 HydrophobicContact CD1-CG2 4.05Å; I48-A63 HydrophobicContact CD1-CB 4.2Å; I48-V73 HydrophobicContact CD1-CG1 3.47Å; I48-V73 VanDerWaalsContact CD1-CG1 3.47Å; I48-V73 HydrophobicContact CG1-CG1 3.72Å; I48-F74 PolarHBondContact N-O 2.86Å; I48-A75 HydrophobicContact CB-CB 4.14Å; I48-V120 CarbonylContact C-O 3.3Å; I48-V120 WeakPolarHBondContact CA-O 3.4Å; I48-V120 HydrophobicContact CG1-CB 4.31Å |
| 49 | A | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110 | F47 V120 G121 H122 G125 | F47-A49 HydrophobicContact CD1-CB 4.4Å; F47-A49 HydrophobicContact CE1-CB 3.9Å; A49-V120 PolarHBondContact N-O 2.91Å; A49-G121 WeakPolarHBondContact O-CA 3.32Å; A49-H122 PolarHBondContact O-N 2.89Å; A49-G125 WeakPolarHBondContact O-CA 3.48Å |
| 50 | H | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | trans | -86.7 | 162 | -174.8 | 72.3 | 76.1 | 0 | 0 | 0 | 112.7 | E54 H55 Y59 H76 D77 H78 H81 G125 | H50-E54 HydrophobicContact CB-CG 4.19Å; H50-E54 PolarHBondContact CE1-O 2.97Å; H50-E54 PolarHBondContact ND1-O 2.67Å; H50-H55 WeakPolarHBondContact CB-O 3.34Å; H50-Y59 WeakPolarHBondContact CA-OH 3.32Å; H50-Y59 HydrophobicContact CB-CD2 4.22Å; H50-Y59 HydrophobicContact CB-CE2 3.42Å; H50-Y59 VanDerWaalsContact CB-CE2 3.42Å; H50-H76 PolarHBondContact CD2-O 2.86Å; H50-D77 WeakPolarHBondContact NE2-CA 3.2Å; H50-H78 AromaticContact CD2-CD2 3.62Å; H50-H78 AromaticContact CE1-CD2 3.46Å; H50-H78 PolarHBondContact CE1-CD2 3.49Å; H50-H78 VanDerWaalsContact CE1-CD2 3.46Å; H50-H78 AromaticContact CE1-CG 3.95Å; H50-H78 AromaticContact CG-CD2 3.85Å; H50-H78 PolarHBondContact N-NE2 3.11Å; H50-H78 AromaticContact ND1-CD2 3.75Å; H50-H78 AromaticContact NE2-CD2 3.38Å; H50-H78 PolarHBondContact NE2-CD2 3.2Å; H50-H78 AromaticContact NE2-CG 3.61Å; H50-H78 PolarHBondContact NE2-N 2.97Å; H50-H78 PolarHBondContact O-CD2 3.16Å; H50-H78 PolarHBondContact O-NE2 3.37Å; H50-H81 AromaticContact CE1-CD2 3.71Å; H50-H81 AromaticContact CE1-CG 3.66Å; H50-G125 WeakPolarHBondContact O-CA 3.5Å; H50-G125 PolarHBondContact O-N 3.28Å; H50-G125 VanDerWaalsContact O-N 3.13Å | ||
| 51 | G | 97.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | trans | -72 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E54 | G51-E54 WeakPolarHBondContact CA-OE1 3.5Å; G51-E54 PolarHBondContact N-OE1 2.73Å; G51-E54 VanDerWaalsContact O-CG 3.26Å; G51-E54 WeakPolarHBondContact O-CG 3.38Å | ||
| 52 | A | 96.1 | Very high | 97.8 | Very high | 21 Ų | 21 | 17.9 Ų | 17.9 | 17% | 0.174 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 134.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E54 M89 M124 F210 | A52-E54 PolarHBondContact O-N 2.97Å; A52-M89 HydrophobicContact CB-CE 3.98Å; A52-M89 HydrophobicContact CB-SD 4.17Å; A52-M124 HydrophobicContact CB-CB 3.92Å; A52-M124 HydrophobicContact CB-CE 4.18Å; A52-M124 HydrophobicContact CB-CG 4.4Å; A52-M124 HydrophobicContact CB-SD 3.71Å; A52-F210 HydrophobicContact CB-CE1 4.16Å; A52-F210 HydrophobicContact CB-CZ 4.45Å |
| 53 | G | 93.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 3% | 0.031 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -3.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | H81 M89 N201 Y202 | G53-H81 PolarHBondContact N-CD2 2.97Å; G53-H81 VanDerWaalsContact N-CD2 3.25Å; G53-H81 PolarHBondContact N-NE2 3.26Å; G53-H81 VanDerWaalsContact N-NE2 3.12Å; G53-M89 VanDerWaalsContact CA-SD 3.58Å; G53-M89 PolarHBondContact N-SD 3.19Å; G53-N201 CarbonylContact O-C 3.51Å; G53-N201 VanDerWaalsContact O-CA 3.29Å; G53-N201 WeakPolarHBondContact O-CA 3.37Å; G53-Y202 PolarHBondContact O-N 2.75Å |
| 54 | E | 95.9 | Very high | 98 | Very high | 16 Ų | 16 | 15.4 Ų | 15.4 | 8% | 0.075 | 8% | 0.084 | C | C | . | . | trans | -106.3 | -162.4 | 170.8 | 59.6 | 173.8 | -151.4 | 0 | 0 | 111.5 | H50 G51 A52 Y59 H81 H122 N201 | H50-E54 HydrophobicContact CB-CG 4.19Å; H50-E54 PolarHBondContact CE1-O 2.97Å; H50-E54 PolarHBondContact ND1-O 2.67Å; G51-E54 WeakPolarHBondContact CA-OE1 3.5Å; G51-E54 PolarHBondContact N-OE1 2.73Å; G51-E54 VanDerWaalsContact O-CG 3.26Å; G51-E54 WeakPolarHBondContact O-CG 3.38Å; A52-E54 PolarHBondContact O-N 2.97Å; E54-Y59 VanDerWaalsContact OE1-CE2 3.28Å; E54-Y59 WeakPolarHBondContact OE1-CE2 3.46Å; E54-Y59 VanDerWaalsContact OE1-CZ 3.29Å; E54-Y59 PolarHBondContact OE1-OH 2.97Å; E54-H81 PolarHBondContact O-CD2 3.11Å; E54-H122 IonicContact OE1-CD2 3.42Å; E54-N201 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 55 | H | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 18 Ų | 18 | 3% | 0.032 | 9% | 0.094 | C | C | . | . | trans | -147.7 | -174.7 | -179.2 | 63.5 | 99.6 | 0 | 0 | 0 | 111.3 | H50 G57 P58 D198 L200 N201 | H50-H55 WeakPolarHBondContact CB-O 3.34Å; H55-G57 VanDerWaalsContact C-N 3.31Å; H55-G57 WeakPolarHBondContact ND1-CA 3.18Å; H55-G57 PolarHBondContact ND1-N 2.9Å; H55-G57 PolarHBondContact O-N 3.27Å; H55-P58 VanDerWaalsContact O-CD 3.28Å; H55-P58 WeakPolarHBondContact O-CD 3.43Å; H55-D198 IonicContact CD2-OD2 2.93Å; H55-D198 IonicContact CE1-OD2 2.75Å; H55-D198 IonicContact NE2-OD1 3.74Å; H55-D198 PolarHBondContact NE2-OD1 3.44Å; H55-D198 IonicContact NE2-OD2 3.91Å; H55-D198 PolarHBondContact NE2-OD2 3.46Å; H55-L200 VanDerWaalsContact CD2-CB 3.41Å; H55-L200 WeakPolarHBondContact CD2-CB 3.17Å; H55-L200 WeakPolarHBondContact NE2-CB 3.47Å; H55-N201 PolarHBondContact CD2-OD1 3.4Å | ||
| 56 | S | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.007 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -72.6 | -17.4 | -178.2 | 60.7 | 0 | 0 | 0 | 0 | 115 | R34 Y59 D77 | R34-S56 PolarHBondContact NE-OG 3.42Å; S56-Y59 PolarHBondContact O-N 2.97Å; S56-D77 WeakPolarHBondContact CB-OD1 3.45Å; S56-D77 PolarHBondContact N-OD1 3.5Å; S56-D77 PolarHBondContact OG-OD1 3.39Å |
| 57 | G | 98.1 | Very high | 97.9 | Very high | 16 Ų | 16 | 21 Ų | 21 | 17% | 0.165 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -63.2 | -45.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | H55 Y59 E60 | H55-G57 VanDerWaalsContact C-N 3.31Å; H55-G57 WeakPolarHBondContact ND1-CA 3.18Å; H55-G57 PolarHBondContact ND1-N 2.9Å; H55-G57 PolarHBondContact O-N 3.27Å; G57-Y59 PolarHBondContact O-N 2.67Å; G57-E60 PolarHBondContact O-N 3.24Å |
| 58 | P | 96.9 | Very high | 97.9 | Very high | 32 Ų | 32 | 27.3 Ų | 27.3 | 21% | 0.208 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -59.6 | -14.6 | -179.7 | -26.4 | 37 | 0 | 0 | 0 | 114.2 | H55 E60 H274 | H55-P58 VanDerWaalsContact O-CD 3.28Å; H55-P58 WeakPolarHBondContact O-CD 3.43Å; P58-E60 PolarHBondContact O-N 3.39Å; P58-H274 PolarHBondContact O-CE1 3.01Å; P58-H274 PolarHBondContact O-NE2 3.33Å |
| 59 | Y | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -84.5 | 9.6 | -179.2 | -65.3 | -96 | 0 | 0 | 0 | 114.4 | I48 H50 E54 S56 G57 E61 I62 A63 H122 | I48-Y59 HydrophobicContact CG2-CD1 3.33Å; I48-Y59 HydrophobicContact CG2-CD2 4.1Å; I48-Y59 HydrophobicContact CG2-CE1 3.87Å; I48-Y59 HydrophobicContact CG2-CG 3.47Å; I48-Y59 VanDerWaalsContact CG2-CG 3.47Å; H50-Y59 WeakPolarHBondContact CA-OH 3.32Å; H50-Y59 HydrophobicContact CB-CD2 4.22Å; H50-Y59 HydrophobicContact CB-CE2 3.42Å; H50-Y59 VanDerWaalsContact CB-CE2 3.42Å; E54-Y59 VanDerWaalsContact OE1-CE2 3.28Å; E54-Y59 WeakPolarHBondContact OE1-CE2 3.46Å; E54-Y59 VanDerWaalsContact OE1-CZ 3.29Å; E54-Y59 PolarHBondContact OE1-OH 2.97Å; S56-Y59 PolarHBondContact O-N 2.97Å; G57-Y59 PolarHBondContact O-N 2.67Å; Y59-E61 VanDerWaalsContact C-N 3.3Å; Y59-E61 PolarHBondContact O-N 2.93Å; Y59-I62 HydrophobicContact CD1-CD1 4.04Å; Y59-I62 PolarHBondContact O-N 3.39Å; Y59-A63 WeakPolarHBondContact O-CB 3.37Å; Y59-A63 PolarHBondContact O-N 3.3Å; Y59-H122 HydrophobicContact CE1-CB 4.23Å; Y59-H122 VanDerWaalsContact OH-CB 3.28Å; Y59-H122 WeakPolarHBondContact OH-CB 3.13Å; Y59-H122 PolarHBondContact OH-CD2 3.43Å |
| 60 | E | 98.2 | Very high | 97.7 | Very high | 73 Ų | 73 | 34.8 Ų | 34.8 | 34% | 0.341 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -51.5 | -45.5 | -177.7 | -174.5 | 63.6 | -149.6 | 0 | 0 | 112.5 | W36 G57 P58 A63 Q64 | W36-E60 VanDerWaalsContact NE1-CD 3.26Å; W36-E60 PolarHBondContact NE1-OE1 2.96Å; W36-E60 PolarHBondContact NE1-OE2 3.18Å; G57-E60 PolarHBondContact O-N 3.24Å; P58-E60 PolarHBondContact O-N 3.39Å; E60-A63 PolarHBondContact O-N 3.45Å; E60-Q64 HydrophobicContact CG-CG 4.39Å; E60-Q64 VanDerWaalsContact O-CG 3.29Å; E60-Q64 WeakPolarHBondContact O-CG 3.47Å; E60-Q64 PolarHBondContact O-N 3.41Å; E60-Q64 WeakPolarHBondContact OE1-CG 3.29Å; E60-Q64 PolarHBondContact OE1-NE2 3Å |
| 61 | E | 97.8 | Very high | 97.7 | Very high | 91 Ų | 91 | 34.8 Ų | 34.8 | 43% | 0.425 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.8 | -43.8 | -176.4 | -168.5 | 173.5 | 174 | 0 | 0 | 112.7 | Y59 A63 Q64 R65 L284 | Y59-E61 VanDerWaalsContact C-N 3.3Å; Y59-E61 PolarHBondContact O-N 2.93Å; E61-A63 VanDerWaalsContact C-N 3.28Å; E61-A63 PolarHBondContact O-N 2.89Å; E61-Q64 PolarHBondContact O-N 3.36Å; E61-R65 WeakPolarHBondContact O-CG 3.48Å; E61-R65 PolarHBondContact O-N 3.47Å; E61-R65 VanDerWaalsContact O-N 3.13Å; E61-R65 IonicContact OE1-CZ 2.65Å; E61-R65 IonicContact OE1-NE 3.28Å; E61-R65 PolarHBondContact OE1-NE 3.47Å; E61-R65 IonicContact OE1-NH2 3.11Å; E61-R65 PolarHBondContact OE1-NH2 3.39Å; E61-L284 HydrophobicContact CB-CD2 4.41Å; E61-L284 HydrophobicContact CG-CD1 3.84Å; E61-L284 HydrophobicContact CG-CD2 4.14Å; E61-L284 WeakPolarHBondContact OE1-CD1 3.48Å |
| 62 | I | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.9 | -47.8 | 172.5 | -68.4 | 170.6 | 0 | 0 | 0 | 109.2 | I48 Y59 R65 L66 I146 H273 L284 V287 | I48-I62 HydrophobicContact CD1-CG2 4.05Å; Y59-I62 HydrophobicContact CD1-CD1 4.04Å; Y59-I62 PolarHBondContact O-N 3.39Å; I62-R65 PolarHBondContact O-N 2.81Å; I62-L66 HydrophobicContact CG2-CD1 3.85Å; I62-L66 HydrophobicContact CG2-CG 4.5Å; I62-L66 VanDerWaalsContact O-CG 3.32Å; I62-L66 WeakPolarHBondContact O-CG 3.3Å; I62-L66 PolarHBondContact O-N 2.85Å; I62-L66 VanDerWaalsContact O-N 3.13Å; I62-I146 HydrophobicContact CD1-CD1 4.01Å; I62-H273 HydrophobicContact CD1-CB 4.03Å; I62-L284 HydrophobicContact CB-CD2 4.23Å; I62-L284 HydrophobicContact CG1-CD2 3.38Å; I62-V287 HydrophobicContact CG2-CG1 4.33Å |
| 63 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | W36 I48 Y59 E60 E61 L66 K67 V73 | W36-A63 HydrophobicContact CB-CB 4.3Å; W36-A63 HydrophobicContact CD2-CB 3.31Å; W36-A63 HydrophobicContact CE3-CB 3.67Å; W36-A63 HydrophobicContact CG-CB 3.64Å; W36-A63 HydrophobicContact CH2-CB 3.95Å; W36-A63 HydrophobicContact CZ2-CB 3.66Å; W36-A63 HydrophobicContact CZ3-CB 3.99Å; I48-A63 HydrophobicContact CD1-CB 4.2Å; Y59-A63 WeakPolarHBondContact O-CB 3.37Å; Y59-A63 PolarHBondContact O-N 3.3Å; E60-A63 PolarHBondContact O-N 3.45Å; E61-A63 VanDerWaalsContact C-N 3.28Å; E61-A63 PolarHBondContact O-N 2.89Å; A63-L66 PolarHBondContact O-N 3.44Å; A63-K67 VanDerWaalsContact O-CB 3.26Å; A63-K67 WeakPolarHBondContact O-CB 3.36Å; A63-K67 PolarHBondContact O-N 2.9Å; A63-V73 HydrophobicContact CB-CB 4.2Å; A63-V73 HydrophobicContact CB-CG1 3.83Å; A63-V73 HydrophobicContact CB-CG2 4.47Å |
| 64 | Q | 98.6 | Very high | 98.1 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 26% | 0.257 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 177.6 | -70 | -66.4 | -14.5 | 0 | 0 | 112 | E60 E61 L66 K67 E68 | E60-Q64 HydrophobicContact CG-CG 4.39Å; E60-Q64 VanDerWaalsContact O-CG 3.29Å; E60-Q64 WeakPolarHBondContact O-CG 3.47Å; E60-Q64 PolarHBondContact O-N 3.41Å; E60-Q64 WeakPolarHBondContact OE1-CG 3.29Å; E60-Q64 PolarHBondContact OE1-NE2 3Å; E61-Q64 PolarHBondContact O-N 3.36Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.18Å; Q64-K67 WeakPolarHBondContact O-CB 3.47Å; Q64-K67 PolarHBondContact O-N 2.84Å; Q64-E68 WeakPolarHBondContact O-CG 3.23Å; Q64-E68 PolarHBondContact O-N 3.4Å |
| 65 | R | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 32.9 Ų | 32.9 | 21% | 0.208 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 177.4 | -71.4 | -176.6 | -175.5 | -124.5 | 0.6 | 112.4 | E61 I62 E68 R69 E281 | E61-R65 WeakPolarHBondContact O-CG 3.48Å; E61-R65 PolarHBondContact O-N 3.47Å; E61-R65 VanDerWaalsContact O-N 3.13Å; E61-R65 IonicContact OE1-CZ 2.65Å; E61-R65 IonicContact OE1-NE 3.28Å; E61-R65 PolarHBondContact OE1-NE 3.47Å; E61-R65 IonicContact OE1-NH2 3.11Å; E61-R65 PolarHBondContact OE1-NH2 3.39Å; I62-R65 PolarHBondContact O-N 2.81Å; R65-E68 PolarHBondContact O-N 3.49Å; R65-R69 WeakPolarHBondContact O-CG 3.43Å; R65-R69 PolarHBondContact O-N 3.36Å; R65-E281 IonicContact CZ-OE1 3.3Å; R65-E281 IonicContact CZ-OE2 2.81Å; R65-E281 IonicContact NH1-OE1 2.72Å; R65-E281 PolarHBondContact NH1-OE1 2.95Å; R65-E281 IonicContact NH1-OE2 3.49Å; R65-E281 PolarHBondContact NH1-OE2 3.12Å; R65-E281 IonicContact NH2-OE1 3.73Å; R65-E281 IonicContact NH2-OE2 3.24Å; R65-E281 PolarHBondContact NH2-OE2 2.88Å |
| 66 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.9 | -39.2 | 175.9 | -65.1 | 174.6 | 0 | 0 | 0 | 111.4 | V46 I62 A63 Q64 E68 R69 L71 V73 T288 I291 | V46-L66 HydrophobicContact CB-CD1 4.43Å; V46-L66 HydrophobicContact CG1-CD1 3.98Å; V46-L66 HydrophobicContact CG2-CD1 4.34Å; I62-L66 HydrophobicContact CG2-CD1 3.85Å; I62-L66 HydrophobicContact CG2-CG 4.5Å; I62-L66 VanDerWaalsContact O-CG 3.32Å; I62-L66 WeakPolarHBondContact O-CG 3.3Å; I62-L66 PolarHBondContact O-N 2.85Å; I62-L66 VanDerWaalsContact O-N 3.13Å; A63-L66 PolarHBondContact O-N 3.44Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.18Å; L66-E68 VanDerWaalsContact C-N 3.3Å; L66-E68 PolarHBondContact O-N 3.15Å; L66-R69 WeakPolarHBondContact O-CA 3.49Å; L66-R69 WeakPolarHBondContact O-CB 3.36Å; L66-R69 PolarHBondContact O-N 3.02Å; L66-L71 HydrophobicContact CB-CB 4.41Å; L66-L71 HydrophobicContact CD2-CD2 4.24Å; L66-L71 WeakPolarHBondContact O-CB 3.45Å; L66-L71 PolarHBondContact O-N 3.36Å; L66-V73 HydrophobicContact CB-CG2 3.61Å; L66-V73 HydrophobicContact CD1-CG2 4.24Å; L66-T288 HydrophobicContact CD2-CG2 4.4Å; L66-I291 HydrophobicContact CD1-CD1 4.11Å; L66-I291 HydrophobicContact CD2-CB 4.41Å; L66-I291 HydrophobicContact CD2-CD1 3.85Å; L66-I291 HydrophobicContact CD2-CG2 4.5Å |
| 67 | K | 98.5 | Very high | 98.3 | Very high | 63 Ų | 63 | 32.6 Ų | 32.6 | 27% | 0.274 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -57.6 | -42.4 | 174.1 | -171.8 | -168.8 | 113.2 | -159.3 | 0 | 111.7 | W36 E37 P38 A63 Q64 R69 S70 L71 | W36-K67 HydrophobicContact CB-CB 4.41Å; W36-K67 HydrophobicContact CB-CD 4.08Å; W36-K67 HydrophobicContact CB-CG 4.47Å; E37-K67 WeakPolarHBondContact O-CD 3.23Å; P38-K67 HydrophobicContact CB-CG 4.19Å; A63-K67 VanDerWaalsContact O-CB 3.26Å; A63-K67 WeakPolarHBondContact O-CB 3.36Å; A63-K67 PolarHBondContact O-N 2.9Å; Q64-K67 WeakPolarHBondContact O-CB 3.47Å; Q64-K67 PolarHBondContact O-N 2.84Å; K67-R69 PolarHBondContact O-N 3.26Å; K67-S70 WeakPolarHBondContact O-CA 3.44Å; K67-S70 PolarHBondContact O-N 2.76Å; K67-L71 WeakPolarHBondContact CA-O 3.35Å |
| 68 | E | 97.6 | Very high | 98.3 | Very high | 134 Ų | 134 | 31.8 Ų | 31.8 | 63% | 0.626 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -62.2 | -22.2 | 175.8 | -73 | 175.6 | 179.2 | 0 | 0 | 113.4 | Q64 R65 L66 S70 | Q64-E68 WeakPolarHBondContact O-CG 3.23Å; Q64-E68 PolarHBondContact O-N 3.4Å; R65-E68 PolarHBondContact O-N 3.49Å; L66-E68 VanDerWaalsContact C-N 3.3Å; L66-E68 PolarHBondContact O-N 3.15Å; E68-S70 PolarHBondContact O-N 3.23Å |
| 69 | R | 97.3 | Very high | 98.4 | Very high | 131 Ų | 131 | 30.8 Ų | 30.8 | 49% | 0.494 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 11.4 | 173.2 | -57.2 | -57.3 | -179.8 | -146.4 | -3.2 | 113.3 | R65 L66 K67 L71 T288 T292 | R65-R69 WeakPolarHBondContact O-CG 3.43Å; R65-R69 PolarHBondContact O-N 3.36Å; L66-R69 WeakPolarHBondContact O-CA 3.49Å; L66-R69 WeakPolarHBondContact O-CB 3.36Å; L66-R69 PolarHBondContact O-N 3.02Å; K67-R69 PolarHBondContact O-N 3.26Å; R69-L71 VanDerWaalsContact C-CD1 3.45Å; R69-L71 HydrophobicContact CB-CD1 3.59Å; R69-L71 WeakPolarHBondContact O-CD1 3.44Å; R69-T288 HydrophobicContact CG-CG2 3.88Å; R69-T292 HydrophobicContact CB-CG2 3.86Å; R69-T292 HydrophobicContact CG-CG2 3.79Å |
| 70 | S | 97.4 | Very high | 98.4 | Very high | 27 Ų | 27 | 30.8 Ų | 30.8 | 19% | 0.189 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 42.8 | -175.1 | -54.8 | 0 | 0 | 0 | 0 | 113 | P42 R43 K67 E68 | P42-S70 CarbonylContact C-O 3.56Å; P42-S70 VanDerWaalsContact CA-O 3.24Å; P42-S70 WeakPolarHBondContact CA-O 3.42Å; R43-S70 PolarHBondContact N-O 2.9Å; K67-S70 WeakPolarHBondContact O-CA 3.44Å; K67-S70 PolarHBondContact O-N 2.76Å; E68-S70 PolarHBondContact O-N 3.23Å |
| 71 | L | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -106.5 | 139.5 | 170.7 | -71 | 65.2 | 0 | 0 | 0 | 108.8 | P38 A44 V46 L66 K67 R69 V73 I291 L295 | P38-L71 WeakPolarHBondContact CD-O 3.49Å; A44-L71 HydrophobicContact CB-CD2 4.44Å; A44-L71 HydrophobicContact CB-CG 4.22Å; V46-L71 HydrophobicContact CG2-CB 4.11Å; V46-L71 HydrophobicContact CG2-CD2 3.6Å; V46-L71 HydrophobicContact CG2-CG 4.38Å; L66-L71 HydrophobicContact CB-CB 4.41Å; L66-L71 HydrophobicContact CD2-CD2 4.24Å; L66-L71 WeakPolarHBondContact O-CB 3.45Å; L66-L71 PolarHBondContact O-N 3.36Å; K67-L71 WeakPolarHBondContact CA-O 3.35Å; R69-L71 VanDerWaalsContact C-CD1 3.45Å; R69-L71 HydrophobicContact CB-CD1 3.59Å; R69-L71 WeakPolarHBondContact O-CD1 3.44Å; L71-V73 PolarHBondContact O-N 3.25Å; L71-I291 HydrophobicContact CD2-CG2 3.41Å; L71-I291 VanDerWaalsContact CD2-CG2 3.41Å; L71-L295 HydrophobicContact CD1-CD1 3.97Å | ||
| 72 | L | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 110.9 | 170.8 | -170.4 | 166.4 | 0 | 0 | 0 | 107.7 | E37 P42 A44 L45 V46 F74 M108 R112 | E37-L72 HydrophobicContact CG-CD1 4.38Å; E37-L72 HydrophobicContact CG-CG 4.3Å; P42-L72 HydrophobicContact CB-CB 3.79Å; P42-L72 HydrophobicContact CG-CB 4.21Å; P42-L72 HydrophobicContact CG-CD1 4.49Å; A44-L72 PolarHBondContact O-N 3.18Å; L45-L72 CarbonylContact C-O 3.17Å; L45-L72 WeakPolarHBondContact CA-O 3.45Å; L45-L72 HydrophobicContact CD2-CB 3.96Å; L45-L72 HydrophobicContact CD2-CD1 4.27Å; L45-L72 HydrophobicContact CD2-CD2 4.31Å; L45-L72 HydrophobicContact CD2-CG 4.41Å; V46-L72 PolarHBondContact N-O 2.9Å; L72-F74 HydrophobicContact CD2-CB 4.16Å; L72-F74 HydrophobicContact CD2-CD1 4.08Å; L72-F74 HydrophobicContact CD2-CG 4.5Å; L72-M108 HydrophobicContact CD1-CE 3.86Å; L72-M108 HydrophobicContact CD2-CE 3.41Å; L72-M108 VanDerWaalsContact CD2-CE 3.41Å; L72-M108 HydrophobicContact CG-CE 4.32Å; L72-R112 HydrophobicContact CD1-CG 4.5Å |
| 73 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 137.7 | 176.5 | -170.2 | 0 | 0 | 0 | 0 | 109 | Y35 W36 V46 I48 A63 L66 L71 | Y35-V73 WeakPolarHBondContact CA-O 3.37Å; W36-V73 HydrophobicContact CB-CB 4.2Å; W36-V73 HydrophobicContact CE3-CB 3.96Å; W36-V73 HydrophobicContact CE3-CG1 3.82Å; W36-V73 HydrophobicContact CZ3-CG1 4.07Å; W36-V73 PolarHBondContact N-O 3.4Å; W36-V73 PolarHBondContact O-N 3.36Å; V46-V73 HydrophobicContact CB-CG1 4.44Å; V46-V73 HydrophobicContact CB-CG2 4.32Å; V46-V73 WeakPolarHBondContact O-CA 3.39Å; I48-V73 HydrophobicContact CD1-CG1 3.47Å; I48-V73 VanDerWaalsContact CD1-CG1 3.47Å; I48-V73 HydrophobicContact CG1-CG1 3.72Å; A63-V73 HydrophobicContact CB-CB 4.2Å; A63-V73 HydrophobicContact CB-CG1 3.83Å; A63-V73 HydrophobicContact CB-CG2 4.47Å; L66-V73 HydrophobicContact CB-CG2 3.61Å; L66-V73 HydrophobicContact CD1-CG2 4.24Å; L71-V73 PolarHBondContact O-N 3.25Å |
| 74 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 150.5 | 177.6 | 66.9 | -73.3 | 0 | 0 | 0 | 110.6 | R34 Y35 L45 V46 F47 I48 L72 H104 I105 M108 | R34-F74 CarbonylContact O-C 2.9Å; R34-F74 VanDerWaalsContact O-CA 3.29Å; R34-F74 WeakPolarHBondContact O-CA 3.43Å; Y35-F74 HydrophobicContact CD1-CB 3.53Å; Y35-F74 HydrophobicContact CE1-CB 3.84Å; Y35-F74 HydrophobicContact CG-CB 4.46Å; L45-F74 HydrophobicContact CB-CE1 3.97Å; V46-F74 VanDerWaalsContact O-CD1 3.24Å; V46-F74 WeakPolarHBondContact O-CD1 3.37Å; V46-F74 PolarHBondContact O-N 2.74Å; F47-F74 CarbonylContact C-O 3.51Å; F47-F74 WeakPolarHBondContact CA-O 3.47Å; F47-F74 HydrophobicContact CB-CE1 4.04Å; F47-F74 HydrophobicContact CB-CE2 4.02Å; F47-F74 HydrophobicContact CB-CZ 3.66Å; F47-F74 AromaticContact CD2-CD2 3.76Å; F47-F74 HydrophobicContact CD2-CD2 3.76Å; F47-F74 AromaticContact CD2-CE2 3.49Å; F47-F74 HydrophobicContact CD2-CE2 3.49Å; F47-F74 VanDerWaalsContact CD2-CE2 3.49Å; F47-F74 HydrophobicContact CD2-CZ 4.06Å; F47-F74 HydrophobicContact CE2-CE2 4.38Å; F47-F74 HydrophobicContact CG-CE2 4.13Å; F47-F74 HydrophobicContact CG-CZ 4.27Å; I48-F74 PolarHBondContact N-O 2.86Å; L72-F74 HydrophobicContact CD2-CB 4.16Å; L72-F74 HydrophobicContact CD2-CD1 4.08Å; L72-F74 HydrophobicContact CD2-CG 4.5Å; F74-H104 AromaticContact CD2-CD2 3.83Å; F74-H104 AromaticContact CD2-CE1 3.74Å; F74-H104 AromaticContact CD2-CG 3.96Å; F74-H104 AromaticContact CD2-ND1 3.89Å; F74-H104 AromaticContact CD2-NE2 3.68Å; F74-H104 HydrophobicContact CE2-CB 4.48Å; F74-I105 HydrophobicContact CE2-CG1 4.15Å; F74-I105 HydrophobicContact CZ-CG1 3.93Å; F74-M108 HydrophobicContact CD1-CG 4.16Å; F74-M108 HydrophobicContact CD2-CG 3.56Å; F74-M108 HydrophobicContact CE1-CB 4.27Å; F74-M108 HydrophobicContact CE1-CG 4.18Å; F74-M108 HydrophobicContact CE2-CB 4.13Å; F74-M108 HydrophobicContact CE2-CG 3.55Å; F74-M108 HydrophobicContact CG-CG 3.87Å; F74-M108 HydrophobicContact CZ-CB 3.98Å; F74-M108 HydrophobicContact CZ-CG 3.87Å |
| 75 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 160.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | C33 R34 W36 I48 H104 | C33-A75 CarbonylContact C-O 3.22Å; C33-A75 WeakPolarHBondContact CA-O 3.41Å; R34-A75 PolarHBondContact N-O 2.83Å; R34-A75 PolarHBondContact O-N 3.11Å; W36-A75 HydrophobicContact CH2-CB 4.35Å; W36-A75 HydrophobicContact CZ3-CB 4.02Å; I48-A75 HydrophobicContact CB-CB 4.14Å; A75-H104 PolarHBondContact O-CE1 3.35Å |
| 76 | H | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 156.7 | 160 | 59.4 | -123.6 | 0 | 0 | 0 | 109.5 | L31 F32 F47 H50 H78 D100 H104 | L31-H76 HydrophobicContact CB-CB 4.39Å; F32-H76 CarbonylContact O-C 3.6Å; F32-H76 WeakPolarHBondContact O-CA 3.32Å; F32-H76 WeakPolarHBondContact O-CB 3.29Å; F47-H76 AromaticContact CE2-CE1 3.98Å; F47-H76 AromaticContact CE2-ND1 3.86Å; F47-H76 AromaticContact CZ-CE1 3.61Å; F47-H76 AromaticContact CZ-ND1 3.96Å; F47-H76 AromaticContact CZ-NE2 3.95Å; H50-H76 PolarHBondContact CD2-O 2.86Å; H76-H78 AromaticContact CD2-ND1 3.47Å; H76-H78 PolarHBondContact CD2-ND1 3.17Å; H76-H78 AromaticContact NE2-CE1 3.68Å; H76-H78 AromaticContact NE2-ND1 3.14Å; H76-H78 PolarHBondContact NE2-ND1 2.69Å; H76-H78 VanDerWaalsContact NE2-ND1 3.14Å; H76-D100 PolarHBondContact CE1-O 2.86Å; H76-H104 AromaticContact CG-ND1 3.78Å; H76-H104 AromaticContact ND1-CG 3.75Å; H76-H104 AromaticContact ND1-ND1 3.15Å; H76-H104 PolarHBondContact ND1-ND1 3.34Å; H76-H104 VanDerWaalsContact ND1-ND1 3.15Å |
| 77 | D | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 126.8 | 164.4 | -61.6 | -8.4 | 0 | 0 | 0 | 107 | F32 H50 S56 Q83 S84 | F32-D77 HydrophobicContact CB-CB 4.44Å; F32-D77 WeakPolarHBondContact CD1-OD2 3.44Å; F32-D77 PolarHBondContact O-N 2.84Å; H50-D77 WeakPolarHBondContact NE2-CA 3.2Å; S56-D77 WeakPolarHBondContact CB-OD1 3.45Å; S56-D77 PolarHBondContact N-OD1 3.5Å; S56-D77 PolarHBondContact OG-OD1 3.39Å; D77-Q83 PolarHBondContact OD2-N 3.49Å; D77-S84 WeakPolarHBondContact CB-OG 3.33Å; D77-S84 WeakPolarHBondContact O-CB 3.26Å; D77-S84 PolarHBondContact O-OG 3.48Å |
| 78 | H | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 156 | 179.9 | -65.5 | -45.8 | 0 | 0 | 0 | 110.9 | H50 H76 G80 H81 Y97 I128 | H50-H78 AromaticContact CD2-CD2 3.62Å; H50-H78 AromaticContact CE1-CD2 3.46Å; H50-H78 PolarHBondContact CE1-CD2 3.49Å; H50-H78 VanDerWaalsContact CE1-CD2 3.46Å; H50-H78 AromaticContact CE1-CG 3.95Å; H50-H78 AromaticContact CG-CD2 3.85Å; H50-H78 PolarHBondContact N-NE2 3.11Å; H50-H78 AromaticContact ND1-CD2 3.75Å; H50-H78 AromaticContact NE2-CD2 3.38Å; H50-H78 PolarHBondContact NE2-CD2 3.2Å; H50-H78 AromaticContact NE2-CG 3.61Å; H50-H78 PolarHBondContact NE2-N 2.97Å; H50-H78 PolarHBondContact O-CD2 3.16Å; H50-H78 PolarHBondContact O-NE2 3.37Å; H76-H78 AromaticContact CD2-ND1 3.47Å; H76-H78 PolarHBondContact CD2-ND1 3.17Å; H76-H78 AromaticContact NE2-CE1 3.68Å; H76-H78 AromaticContact NE2-ND1 3.14Å; H76-H78 PolarHBondContact NE2-ND1 2.69Å; H76-H78 VanDerWaalsContact NE2-ND1 3.14Å; H78-G80 PolarHBondContact O-N 3.35Å; H78-H81 VanDerWaalsContact O-CB 3.3Å; H78-H81 WeakPolarHBondContact O-CB 3.45Å; H78-H81 PolarHBondContact O-N 3.26Å; H78-Y97 HydrophobicContact CB-CD1 3.75Å; H78-Y97 HydrophobicContact CB-CE1 3.64Å; H78-I128 WeakPolarHBondContact NE2-CD1 3.41Å |
| 79 | V | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 6% | 0.061 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 134.4 | 174.2 | 172 | 0 | 0 | 0 | 0 | 109.8 | N25 L29 L31 H81 I91 I96 Y97 D100 | N25-V79 WeakPolarHBondContact ND2-CG2 3.3Å; L29-V79 HydrophobicContact CD1-CG1 3.73Å; L29-V79 HydrophobicContact CD1-CG2 4.18Å; L31-V79 HydrophobicContact CD2-CB 4.48Å; L31-V79 HydrophobicContact CD2-CG2 3.52Å; V79-H81 VanDerWaalsContact C-N 3.29Å; V79-H81 PolarHBondContact O-N 2.95Å; V79-H81 PolarHBondContact O-ND1 3.35Å; V79-I91 HydrophobicContact CB-CD1 4.46Å; V79-I96 HydrophobicContact CG2-CG2 4.18Å; V79-Y97 HydrophobicContact CB-CE1 4.27Å; V79-Y97 WeakPolarHBondContact O-CE1 3.41Å; V79-Y97 PolarHBondContact O-OH 2.88Å; V79-D100 WeakPolarHBondContact CG2-OD2 3.46Å |
| 80 | G | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 8.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | H78 E85 E87 R88 M89 | H78-G80 PolarHBondContact O-N 3.35Å; G80-E85 PolarHBondContact N-O 3.23Å; G80-E87 VanDerWaalsContact CA-O 3.24Å; G80-E87 WeakPolarHBondContact CA-O 3.42Å; G80-R88 VanDerWaalsContact CA-NH2 3.27Å; G80-R88 WeakPolarHBondContact O-CA 3.32Å; G80-R88 PolarHBondContact O-NE 2.81Å; G80-M89 PolarHBondContact O-N 3.47Å |
| 81 | H | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.019 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -126.8 | 157.9 | -178.2 | -64.4 | 74.6 | 0 | 0 | 0 | 112.7 | H50 G53 E54 H78 V79 Q83 S84 R88 M89 Y97 | H50-H81 AromaticContact CE1-CD2 3.71Å; H50-H81 AromaticContact CE1-CG 3.66Å; G53-H81 PolarHBondContact N-CD2 2.97Å; G53-H81 VanDerWaalsContact N-CD2 3.25Å; G53-H81 PolarHBondContact N-NE2 3.26Å; G53-H81 VanDerWaalsContact N-NE2 3.12Å; E54-H81 PolarHBondContact O-CD2 3.11Å; H78-H81 VanDerWaalsContact O-CB 3.3Å; H78-H81 WeakPolarHBondContact O-CB 3.45Å; H78-H81 PolarHBondContact O-N 3.26Å; V79-H81 VanDerWaalsContact C-N 3.29Å; V79-H81 PolarHBondContact O-N 2.95Å; V79-H81 PolarHBondContact O-ND1 3.35Å; H81-Q83 PolarHBondContact O-N 2.95Å; H81-S84 WeakPolarHBondContact O-CB 3.43Å; H81-S84 PolarHBondContact O-N 3.05Å; H81-R88 PolarHBondContact O-NH1 3.42Å; H81-M89 PolarHBondContact NE2-SD 3.34Å; H81-Y97 PolarHBondContact CE1-OH 3.09Å |
| 82 | G | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41.3 | -122 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q13 R88 | Q13-G82 PolarHBondContact NE2-O 2.82Å; G82-R88 PolarHBondContact O-NH1 2.88Å |
| 83 | Q | 98.7 | Very high | 97.3 | Very high | 26 Ų | 26 | 26.8 Ų | 26.8 | 12% | 0.121 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -1.7 | -178.7 | -64.4 | 176.7 | 90.8 | 0 | 0 | 114 | S11 P12 Y17 F32 D77 H81 L200 | S11-Q83 WeakPolarHBondContact CB-O 3.41Å; P12-Q83 WeakPolarHBondContact CD-O 3.45Å; Y17-Q83 PolarHBondContact OH-O 2.96Å; F32-Q83 HydrophobicContact CB-CB 3.63Å; F32-Q83 HydrophobicContact CD1-CB 4.27Å; F32-Q83 HydrophobicContact CD2-CB 4.01Å; F32-Q83 VanDerWaalsContact CE1-NE2 3.35Å; F32-Q83 HydrophobicContact CG-CB 3.7Å; D77-Q83 PolarHBondContact OD2-N 3.49Å; H81-Q83 PolarHBondContact O-N 2.95Å; Q83-L200 HydrophobicContact CG-CD1 4.06Å; Q83-L200 HydrophobicContact CG-CD2 3.74Å |
| 84 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -77.4 | 157.7 | 176.6 | -71.9 | 0 | 0 | 0 | 0 | 112.6 | P12 Y17 L31 F32 D77 H81 R88 | P12-S84 VanDerWaalsContact CG-O 3.29Å; P12-S84 WeakPolarHBondContact CG-O 3.48Å; Y17-S84 VanDerWaalsContact OH-CA 3.3Å; Y17-S84 WeakPolarHBondContact OH-CA 3.46Å; L31-S84 WeakPolarHBondContact CA-OG 3.42Å; F32-S84 PolarHBondContact N-OG 3.36Å; D77-S84 WeakPolarHBondContact CB-OG 3.33Å; D77-S84 WeakPolarHBondContact O-CB 3.26Å; D77-S84 PolarHBondContact O-OG 3.48Å; H81-S84 WeakPolarHBondContact O-CB 3.43Å; H81-S84 PolarHBondContact O-N 3.05Å; S84-R88 PolarHBondContact O-NH1 2.9Å; S84-R88 PolarHBondContact O-NH2 3.28Å |
| 85 | E | 98.5 | Very high | 97.2 | Very high | 23 Ų | 23 | 29.4 Ų | 29.4 | 11% | 0.107 | 14% | 0.141 | C | C | . | . | trans | -71.6 | 174.4 | 173.2 | -69.5 | -174.9 | 146.2 | 0 | 0 | 112.4 | R9 Y17 L29 H30 G80 R88 | R9-E85 IonicContact CZ-OE1 2.9Å; R9-E85 IonicContact CZ-OE2 3.1Å; R9-E85 IonicContact NE-OE1 2.77Å; R9-E85 PolarHBondContact NE-OE1 2.81Å; R9-E85 IonicContact NE-OE2 3.37Å; R9-E85 VanDerWaalsContact NH2-CD 3.31Å; R9-E85 IonicContact NH2-OE1 2.83Å; R9-E85 PolarHBondContact NH2-OE1 2.97Å; R9-E85 IonicContact NH2-OE2 3.34Å; R9-E85 PolarHBondContact NH2-OE2 3.46Å; Y17-E85 HydrophobicContact CE2-CG 3.62Å; Y17-E85 WeakPolarHBondContact OH-CG 3.3Å; Y17-E85 PolarHBondContact OH-N 2.91Å; L29-E85 WeakPolarHBondContact CA-OE2 3.13Å; L29-E85 HydrophobicContact CB-CB 4.19Å; L29-E85 HydrophobicContact CD2-CB 4.18Å; H30-E85 HydrophobicContact CB-CG 4.08Å; H30-E85 IonicContact CD2-OE2 2.79Å; H30-E85 PolarHBondContact N-OE2 3.02Å; H30-E85 PolarHBondContact O-N 3.49Å; G80-E85 PolarHBondContact N-O 3.23Å; E85-R88 PolarHBondContact O-NH2 2.86Å | ||
| 86 | G | 97.2 | Very high | 97.2 | Very high | 29 Ų | 29 | 30 Ų | 30 | 30% | 0.299 | 14% | 0.144 | S | C | . | . | S | Bend | trans | 106.9 | 159.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | R88 | G86-R88 PolarHBondContact O-N 2.96Å; G86-R88 PolarHBondContact O-NE 2.99Å; G86-R88 PolarHBondContact O-NH2 2.75Å |
| 87 | E | 95.7 | Very high | 97.2 | Very high | 101 Ų | 101 | 30 Ų | 30 | 47% | 0.472 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -66.6 | 133.9 | 175.5 | -173.2 | 172.9 | -153.4 | 0 | 0 | 110.3 | G80 M89 N90 R207 | G80-E87 VanDerWaalsContact CA-O 3.24Å; G80-E87 WeakPolarHBondContact CA-O 3.42Å; E87-M89 PolarHBondContact O-N 2.95Å; E87-N90 HydrophobicContact CB-CB 4.23Å; E87-N90 HydrophobicContact CG-CB 4.14Å; E87-N90 PolarHBondContact O-N 2.96Å; E87-N90 PolarHBondContact OE2-ND2 3.13Å; E87-R207 IonicContact OE1-CZ 3.76Å; E87-R207 IonicContact OE1-NH1 3.38Å; E87-R207 PolarHBondContact OE1-NH1 2.95Å; E87-R207 IonicContact OE1-NH2 3.76Å; E87-R207 PolarHBondContact OE1-NH2 3.28Å; E87-R207 IonicContact OE2-NH1 2.87Å; E87-R207 PolarHBondContact OE2-NH1 3.41Å; E87-R207 VanDerWaalsContact OE2-NH1 3.11Å |
| 88 | R | 95.8 | Very high | 97.2 | Very high | 61 Ų | 61 | 30 Ų | 30 | 23% | 0.23 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 127.6 | -173.7 | -63.3 | -58.4 | 84 | 176.5 | 0.5 | 111.4 | G80 H81 G82 S84 E85 G86 N90 Y202 | G80-R88 VanDerWaalsContact CA-NH2 3.27Å; G80-R88 WeakPolarHBondContact O-CA 3.32Å; G80-R88 PolarHBondContact O-NE 2.81Å; H81-R88 PolarHBondContact O-NH1 3.42Å; G82-R88 PolarHBondContact O-NH1 2.88Å; S84-R88 PolarHBondContact O-NH1 2.9Å; S84-R88 PolarHBondContact O-NH2 3.28Å; E85-R88 PolarHBondContact O-NH2 2.86Å; G86-R88 PolarHBondContact O-N 2.96Å; G86-R88 PolarHBondContact O-NE 2.99Å; G86-R88 PolarHBondContact O-NH2 2.75Å; R88-N90 PolarHBondContact O-N 3.1Å; R88-N90 VanDerWaalsContact O-N 3.14Å; R88-Y202 HydrophobicContact CB-CD2 3.76Å; R88-Y202 HydrophobicContact CB-CE2 3.75Å; R88-Y202 HydrophobicContact CG-CD2 4.43Å |
| 89 | M | 93.2 | Very high | 97.2 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.034 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 40.7 | 176.3 | -79.2 | -76.7 | -78.9 | 0 | 0 | 113.1 | A52 G53 G80 H81 E87 Y202 L206 F210 | A52-M89 HydrophobicContact CB-CE 3.98Å; A52-M89 HydrophobicContact CB-SD 4.17Å; G53-M89 VanDerWaalsContact CA-SD 3.58Å; G53-M89 PolarHBondContact N-SD 3.19Å; G80-M89 PolarHBondContact O-N 3.47Å; H81-M89 PolarHBondContact NE2-SD 3.34Å; E87-M89 PolarHBondContact O-N 2.95Å; M89-Y202 HydrophobicContact CB-CD1 3.82Å; M89-Y202 HydrophobicContact CB-CD2 4.49Å; M89-Y202 HydrophobicContact CB-CE1 3.84Å; M89-Y202 HydrophobicContact CB-CG 4.12Å; M89-Y202 HydrophobicContact CE-CD1 4.43Å; M89-Y202 HydrophobicContact CG-CD1 3.41Å; M89-Y202 VanDerWaalsContact CG-CD1 3.41Å; M89-Y202 HydrophobicContact CG-CD2 4.27Å; M89-Y202 HydrophobicContact CG-CE1 3.98Å; M89-Y202 HydrophobicContact CG-CG 3.54Å; M89-L206 HydrophobicContact CE-CD1 3.8Å; M89-F210 HydrophobicContact CE-CD1 3.93Å; M89-F210 HydrophobicContact CE-CE1 3.52Å; M89-F210 HydrophobicContact CE-CZ 4.4Å; M89-F210 WeakPolarHBondContact O-CB 3.45Å; M89-F210 VanDerWaalsContact O-CG 3.24Å; M89-F210 WeakPolarHBondContact O-CG 3.48Å; M89-F210 HydrophobicContact SD-CD1 4.31Å; M89-F210 HydrophobicContact SD-CE1 3.66Å; M89-F210 HydrophobicContact SD-CZ 3.96Å |
| 90 | N | 92.9 | Very high | 97.2 | Very high | 32 Ų | 32 | 32.4 Ų | 32.4 | 17% | 0.171 | 15% | 0.152 | C | C | . | . | trans | -140.7 | 141.1 | 174.9 | -166 | 28.2 | 0 | 0 | 0 | 110.3 | E87 R88 S209 | E87-N90 HydrophobicContact CB-CB 4.23Å; E87-N90 HydrophobicContact CG-CB 4.14Å; E87-N90 PolarHBondContact O-N 2.96Å; E87-N90 PolarHBondContact OE2-ND2 3.13Å; R88-N90 PolarHBondContact O-N 3.1Å; R88-N90 VanDerWaalsContact O-N 3.14Å; N90-S209 PolarHBondContact OD1-OG 2.85Å | ||
| 91 | I | 95.3 | Very high | 97.3 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 5% | 0.051 | 15% | 0.152 | C | C | . | . | trans | -150.6 | 146.4 | 176.4 | -158.2 | 153.6 | 0 | 0 | 0 | 110.6 | V79 I96 Y97 F210 Q213 | V79-I91 HydrophobicContact CB-CD1 4.46Å; I91-I96 HydrophobicContact CD1-CB 3.68Å; I91-I96 HydrophobicContact CD1-CD1 4.16Å; I91-I96 HydrophobicContact CD1-CG2 3.74Å; I91-I96 HydrophobicContact CG1-CB 4.26Å; I91-I96 HydrophobicContact CG1-CD1 3.81Å; I91-Y97 HydrophobicContact CB-CE2 4.45Å; I91-Y97 HydrophobicContact CD1-CD1 3.8Å; I91-Y97 HydrophobicContact CD1-CD2 4.06Å; I91-Y97 HydrophobicContact CD1-CE1 3.38Å; I91-Y97 HydrophobicContact CD1-CE2 3.7Å; I91-Y97 HydrophobicContact CD1-CG 4.11Å; I91-Y97 HydrophobicContact CG2-CE2 4Å; I91-F210 HydrophobicContact CG2-CD2 4.01Å; I91-F210 HydrophobicContact CG2-CE2 4.04Å; I91-Q213 HydrophobicContact CG2-CB 4.12Å; I91-Q213 HydrophobicContact CG2-CG 3.92Å | ||
| 92 | R | 93.3 | Very high | 97.3 | Very high | 174 Ų | 174 | 32.5 Ų | 32.5 | 66% | 0.657 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -73.4 | -33.9 | 179 | 62.3 | 172.4 | 175.4 | 149.6 | 1.3 | 113 | D27 I96 Q213 | D27-R92 IonicContact OD1-NH2 2.73Å; D27-R92 PolarHBondContact OD1-NH2 2.81Å; D27-R92 IonicContact OD2-NH2 3.25Å; D27-R92 PolarHBondContact OD2-NH2 3.1Å; R92-I96 HydrophobicContact CG-CD1 3.38Å; R92-Q213 PolarHBondContact O-NE2 2.88Å; R92-Q213 VanDerWaalsContact O-NE2 3.11Å |
| 93 | D | 96.1 | Very high | 97.3 | Very high | 80 Ų | 80 | 35.3 Ų | 35.3 | 43% | 0.428 | 16% | 0.164 | S | C | . | . | trans | -154.5 | 127.3 | -175.3 | -172.8 | -20.8 | 0 | 0 | 0 | 108.6 | Q95 I96 | D93-Q95 PolarHBondContact O-N 3.34Å; D93-Q95 VanDerWaalsContact O-N 3.17Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.4Å; D93-Q95 PolarHBondContact OD1-N 2.9Å; D93-I96 HydrophobicContact CB-CD1 4.47Å; D93-I96 WeakPolarHBondContact O-CB 3.37Å; D93-I96 PolarHBondContact O-N 2.89Å; D93-I96 VanDerWaalsContact O-N 3.13Å | ||
| 94 | F | 98.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -26.2 | 176.7 | -160.2 | -93.6 | 0 | 0 | 0 | 112.9 | I96 Y97 I98 M124 A127 I128 L131 Q213 L214 A217 | F94-I96 PolarHBondContact O-N 3.04Å; F94-I96 VanDerWaalsContact O-N 3.09Å; F94-Y97 AromaticContact CD2-CD2 3.81Å; F94-Y97 HydrophobicContact CD2-CD2 3.81Å; F94-Y97 HydrophobicContact CD2-CE2 4.07Å; F94-Y97 AromaticContact CE2-CD2 3.81Å; F94-Y97 HydrophobicContact CE2-CD2 3.81Å; F94-Y97 HydrophobicContact CE2-CE2 4.1Å; F94-Y97 HydrophobicContact CG-CD2 4.22Å; F94-Y97 HydrophobicContact CZ-CD2 4.23Å; F94-Y97 PolarHBondContact O-N 3.06Å; F94-I98 HydrophobicContact CD1-CD1 3.56Å; F94-I98 HydrophobicContact CE1-CD1 3.81Å; F94-I98 VanDerWaalsContact O-CD1 3.29Å; F94-I98 WeakPolarHBondContact O-CD1 3.14Å; F94-M124 HydrophobicContact CE2-CG 3.81Å; F94-M124 HydrophobicContact CE2-SD 4.15Å; F94-M124 HydrophobicContact CZ-CG 3.9Å; F94-A127 HydrophobicContact CE1-CB 4.48Å; F94-A127 HydrophobicContact CZ-CB 4.18Å; F94-I128 HydrophobicContact CE1-CG1 3.81Å; F94-I128 HydrophobicContact CZ-CD1 4.39Å; F94-I128 HydrophobicContact CZ-CG1 3.64Å; F94-L131 HydrophobicContact CD1-CD1 4.01Å; F94-L131 HydrophobicContact CE1-CD1 3.99Å; F94-Q213 HydrophobicContact CB-CB 4.36Å; F94-Q213 HydrophobicContact CD2-CB 4.45Å; F94-L214 HydrophobicContact CE2-CD2 3.97Å; F94-A217 HydrophobicContact CB-CB 4.39Å; F94-A217 HydrophobicContact CD1-CB 3.51Å; F94-A217 HydrophobicContact CD2-CB 3.91Å; F94-A217 HydrophobicContact CE1-CB 3.61Å; F94-A217 HydrophobicContact CE2-CB 4Å; F94-A217 HydrophobicContact CG-CB 3.67Å; F94-A217 HydrophobicContact CZ-CB 3.85Å |
| 95 | Q | 98.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 34.1 Ų | 34.1 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.2 | -23.9 | 176.3 | -176.9 | 58.1 | 19.2 | 0 | 0 | 113.3 | D93 Y97 I98 R99 E135 | D93-Q95 PolarHBondContact O-N 3.34Å; D93-Q95 VanDerWaalsContact O-N 3.17Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.4Å; D93-Q95 PolarHBondContact OD1-N 2.9Å; Q95-Y97 VanDerWaalsContact C-N 3.29Å; Q95-Y97 PolarHBondContact O-N 2.83Å; Q95-I98 PolarHBondContact O-N 2.77Å; Q95-R99 WeakPolarHBondContact O-CB 3.46Å; Q95-R99 PolarHBondContact O-N 3.47Å; Q95-E135 PolarHBondContact NE2-OE2 2.98Å |
| 96 | I | 98.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 6% | 0.056 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 175.7 | -71.4 | 160.5 | 0 | 0 | 0 | 111.3 | V79 I91 R92 D93 F94 I98 R99 D100 | V79-I96 HydrophobicContact CG2-CG2 4.18Å; I91-I96 HydrophobicContact CD1-CB 3.68Å; I91-I96 HydrophobicContact CD1-CD1 4.16Å; I91-I96 HydrophobicContact CD1-CG2 3.74Å; I91-I96 HydrophobicContact CG1-CB 4.26Å; I91-I96 HydrophobicContact CG1-CD1 3.81Å; R92-I96 HydrophobicContact CG-CD1 3.38Å; D93-I96 HydrophobicContact CB-CD1 4.47Å; D93-I96 WeakPolarHBondContact O-CB 3.37Å; D93-I96 PolarHBondContact O-N 2.89Å; D93-I96 VanDerWaalsContact O-N 3.13Å; F94-I96 PolarHBondContact O-N 3.04Å; F94-I96 VanDerWaalsContact O-N 3.09Å; I96-I98 VanDerWaalsContact C-N 3.31Å; I96-I98 PolarHBondContact O-N 3.2Å; I96-R99 PolarHBondContact O-N 3.45Å; I96-D100 VanDerWaalsContact O-CB 3.32Å; I96-D100 WeakPolarHBondContact O-CB 3.38Å; I96-D100 PolarHBondContact O-N 3.05Å |
| 97 | Y | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.3 | -38.3 | 178.5 | -63.5 | -47.4 | 0 | 0 | 0 | 112.3 | H78 V79 H81 I91 F94 Q95 S101 M124 I128 F210 | H78-Y97 HydrophobicContact CB-CD1 3.75Å; H78-Y97 HydrophobicContact CB-CE1 3.64Å; V79-Y97 HydrophobicContact CB-CE1 4.27Å; V79-Y97 WeakPolarHBondContact O-CE1 3.41Å; V79-Y97 PolarHBondContact O-OH 2.88Å; H81-Y97 PolarHBondContact CE1-OH 3.09Å; I91-Y97 HydrophobicContact CB-CE2 4.45Å; I91-Y97 HydrophobicContact CD1-CD1 3.8Å; I91-Y97 HydrophobicContact CD1-CD2 4.06Å; I91-Y97 HydrophobicContact CD1-CE1 3.38Å; I91-Y97 HydrophobicContact CD1-CE2 3.7Å; I91-Y97 HydrophobicContact CD1-CG 4.11Å; I91-Y97 HydrophobicContact CG2-CE2 4Å; F94-Y97 AromaticContact CD2-CD2 3.81Å; F94-Y97 HydrophobicContact CD2-CD2 3.81Å; F94-Y97 HydrophobicContact CD2-CE2 4.07Å; F94-Y97 AromaticContact CE2-CD2 3.81Å; F94-Y97 HydrophobicContact CE2-CD2 3.81Å; F94-Y97 HydrophobicContact CE2-CE2 4.1Å; F94-Y97 HydrophobicContact CG-CD2 4.22Å; F94-Y97 HydrophobicContact CZ-CD2 4.23Å; F94-Y97 PolarHBondContact O-N 3.06Å; Q95-Y97 VanDerWaalsContact C-N 3.29Å; Q95-Y97 PolarHBondContact O-N 2.83Å; Y97-S101 VanDerWaalsContact O-CB 3.3Å; Y97-S101 WeakPolarHBondContact O-CB 3.44Å; Y97-S101 PolarHBondContact O-N 2.8Å; Y97-S101 PolarHBondContact O-OG 3.42Å; Y97-M124 HydrophobicContact CE2-CE 4.44Å; Y97-M124 HydrophobicContact CE2-SD 4.13Å; Y97-I128 HydrophobicContact CD2-CD1 4.05Å; Y97-I128 HydrophobicContact CD2-CG1 4.42Å; Y97-I128 HydrophobicContact CG-CD1 3.86Å; Y97-I128 HydrophobicContact CG-CG1 4.36Å; Y97-F210 HydrophobicContact CE2-CE2 4.11Å; Y97-F210 WeakPolarHBondContact OH-CE2 3.38Å |
| 98 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.6 | -49.6 | 176.4 | -68.7 | 82 | 0 | 0 | 0 | 110 | F94 Q95 I96 D100 S101 L102 L131 E135 | F94-I98 HydrophobicContact CD1-CD1 3.56Å; F94-I98 HydrophobicContact CE1-CD1 3.81Å; F94-I98 VanDerWaalsContact O-CD1 3.29Å; F94-I98 WeakPolarHBondContact O-CD1 3.14Å; Q95-I98 PolarHBondContact O-N 2.77Å; I96-I98 VanDerWaalsContact C-N 3.31Å; I96-I98 PolarHBondContact O-N 3.2Å; I98-D100 VanDerWaalsContact C-N 3.34Å; I98-D100 PolarHBondContact O-N 3.13Å; I98-S101 WeakPolarHBondContact O-CB 3.4Å; I98-S101 PolarHBondContact O-N 3.01Å; I98-L102 HydrophobicContact CG2-CD1 4.05Å; I98-L102 HydrophobicContact CG2-CG 4.48Å; I98-L102 WeakPolarHBondContact O-CG 3.41Å; I98-L102 PolarHBondContact O-N 3Å; I98-L131 HydrophobicContact CD1-CB 4Å; I98-L131 HydrophobicContact CD1-CD1 4.05Å; I98-L131 HydrophobicContact CG1-CB 3.65Å; I98-E135 WeakPolarHBondContact CG2-OE2 3.33Å |
| 99 | R | 98.8 | Very high | 97.6 | Very high | 61 Ų | 61 | 33.3 Ų | 33.3 | 23% | 0.23 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56 | -48.1 | 178.1 | -179.5 | -162.7 | 67.2 | -168.7 | -2.4 | 111.6 | N25 D27 Q95 I96 S101 L102 Q103 | N25-R99 PolarHBondContact ND2-NH2 2.88Å; D27-R99 VanDerWaalsContact CG-NH2 3.29Å; D27-R99 IonicContact OD1-CZ 3.23Å; D27-R99 IonicContact OD1-NH1 3.8Å; D27-R99 PolarHBondContact OD1-NH1 2.7Å; D27-R99 IonicContact OD1-NH2 3.11Å; D27-R99 IonicContact OD2-CZ 2.74Å; D27-R99 IonicContact OD2-NH1 3.5Å; D27-R99 PolarHBondContact OD2-NH1 2.9Å; D27-R99 VanDerWaalsContact OD2-NH1 3.1Å; D27-R99 IonicContact OD2-NH2 3.53Å; D27-R99 PolarHBondContact OD2-NH2 3.36Å; Q95-R99 WeakPolarHBondContact O-CB 3.46Å; Q95-R99 PolarHBondContact O-N 3.47Å; I96-R99 PolarHBondContact O-N 3.45Å; R99-S101 VanDerWaalsContact C-N 3.34Å; R99-L102 PolarHBondContact O-N 3.11Å; R99-Q103 WeakPolarHBondContact O-CB 3.35Å; R99-Q103 PolarHBondContact O-N 3.38Å |
| 100 | D | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.4 | -33.6 | -176.8 | -66 | 2.3 | 0 | 0 | 0 | 111 | N25 L31 H76 V79 I96 I98 Q103 H104 | N25-D100 PolarHBondContact ND2-OD2 3.06Å; L31-D100 HydrophobicContact CD1-CB 3.88Å; H76-D100 PolarHBondContact CE1-O 2.86Å; V79-D100 WeakPolarHBondContact CG2-OD2 3.46Å; I96-D100 VanDerWaalsContact O-CB 3.32Å; I96-D100 WeakPolarHBondContact O-CB 3.38Å; I96-D100 PolarHBondContact O-N 3.05Å; I98-D100 VanDerWaalsContact C-N 3.34Å; I98-D100 PolarHBondContact O-N 3.13Å; D100-Q103 PolarHBondContact O-N 2.94Å; D100-H104 PolarHBondContact O-N 3.36Å |
| 101 | S | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -49.7 | 171.2 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | F47 Y97 I98 R99 Q103 H104 I105 I128 | F47-S101 WeakPolarHBondContact CE1-OG 3.49Å; Y97-S101 VanDerWaalsContact O-CB 3.3Å; Y97-S101 WeakPolarHBondContact O-CB 3.44Å; Y97-S101 PolarHBondContact O-N 2.8Å; Y97-S101 PolarHBondContact O-OG 3.42Å; I98-S101 WeakPolarHBondContact O-CB 3.4Å; I98-S101 PolarHBondContact O-N 3.01Å; R99-S101 VanDerWaalsContact C-N 3.34Å; S101-Q103 VanDerWaalsContact C-N 3.32Å; S101-Q103 PolarHBondContact O-N 3.01Å; S101-H104 PolarHBondContact O-N 2.98Å; S101-I105 WeakPolarHBondContact O-CB 3.44Å; S101-I105 WeakPolarHBondContact O-CD1 3.23Å; S101-I105 VanDerWaalsContact O-CG1 3.23Å; S101-I105 WeakPolarHBondContact O-CG1 3.3Å; S101-I105 PolarHBondContact O-N 2.91Å; S101-I128 WeakPolarHBondContact OG-CG2 3.42Å |
| 102 | L | 98.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.2 | -40.4 | 175.6 | -72.3 | 174 | 0 | 0 | 0 | 112 | I98 R99 H104 I105 D106 T132 E135 R136 F140 | I98-L102 HydrophobicContact CG2-CD1 4.05Å; I98-L102 HydrophobicContact CG2-CG 4.48Å; I98-L102 WeakPolarHBondContact O-CG 3.41Å; I98-L102 PolarHBondContact O-N 3Å; R99-L102 PolarHBondContact O-N 3.11Å; L102-H104 PolarHBondContact O-N 2.92Å; L102-I105 PolarHBondContact O-N 2.83Å; L102-D106 VanDerWaalsContact O-CB 3.3Å; L102-D106 WeakPolarHBondContact O-CB 3.24Å; L102-D106 PolarHBondContact O-N 3Å; L102-T132 HydrophobicContact CD2-CG2 3.67Å; L102-T132 HydrophobicContact CG-CG2 4.01Å; L102-E135 HydrophobicContact CD1-CB 4.4Å; L102-E135 HydrophobicContact CD1-CG 4.14Å; L102-R136 HydrophobicContact CD2-CG 4.18Å; L102-F140 HydrophobicContact CD2-CZ 4.24Å |
| 103 | Q | 98.9 | Very high | 97.8 | Very high | 64 Ų | 64 | 40.5 Ų | 40.5 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 175 | -178.8 | -176.2 | -2.5 | 0 | 0 | 111.7 | V24 N25 R99 D100 S101 D106 L107 | V24-Q103 PolarHBondContact O-NE2 3.31Å; N25-Q103 VanDerWaalsContact CA-OE1 3.29Å; R99-Q103 WeakPolarHBondContact O-CB 3.35Å; R99-Q103 PolarHBondContact O-N 3.38Å; D100-Q103 PolarHBondContact O-N 2.94Å; S101-Q103 VanDerWaalsContact C-N 3.32Å; S101-Q103 PolarHBondContact O-N 3.01Å; Q103-D106 PolarHBondContact O-N 3.18Å; Q103-L107 WeakPolarHBondContact O-CB 3.37Å; Q103-L107 PolarHBondContact O-N 2.87Å |
| 104 | H | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.6 | -41.3 | 179.5 | -161.6 | 179 | 0 | 0 | 0 | 111.4 | I23 Y35 F47 F74 A75 H76 D100 S101 L102 L107 M108 | I23-H104 HydrophobicContact CD1-CB 3.85Å; Y35-H104 AromaticContact CE1-NE2 3.62Å; Y35-H104 AromaticContact CZ-NE2 3.57Å; Y35-H104 PolarHBondContact OH-NE2 2.86Å; F47-H104 AromaticContact CE2-ND1 3.94Å; F74-H104 AromaticContact CD2-CD2 3.83Å; F74-H104 AromaticContact CD2-CE1 3.74Å; F74-H104 AromaticContact CD2-CG 3.96Å; F74-H104 AromaticContact CD2-ND1 3.89Å; F74-H104 AromaticContact CD2-NE2 3.68Å; F74-H104 HydrophobicContact CE2-CB 4.48Å; A75-H104 PolarHBondContact O-CE1 3.35Å; H76-H104 AromaticContact CG-ND1 3.78Å; H76-H104 AromaticContact ND1-CG 3.75Å; H76-H104 AromaticContact ND1-ND1 3.15Å; H76-H104 PolarHBondContact ND1-ND1 3.34Å; H76-H104 VanDerWaalsContact ND1-ND1 3.15Å; D100-H104 PolarHBondContact O-N 3.36Å; S101-H104 PolarHBondContact O-N 2.98Å; L102-H104 PolarHBondContact O-N 2.92Å; H104-L107 WeakPolarHBondContact O-CB 3.42Å; H104-L107 PolarHBondContact O-N 3.09Å; H104-M108 WeakPolarHBondContact O-CG 3.32Å; H104-M108 PolarHBondContact O-N 3.49Å |
| 105 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 176.2 | -69.4 | 159.6 | 0 | 0 | 0 | 110.8 | F47 F74 S101 L102 L107 M108 K109 V117 T132 F140 | F47-I105 HydrophobicContact CB-CD1 4.26Å; F47-I105 HydrophobicContact CB-CG1 4.05Å; F47-I105 HydrophobicContact CD1-CD1 4.04Å; F47-I105 HydrophobicContact CD1-CG1 4.43Å; F47-I105 HydrophobicContact CG-CD1 4.18Å; F47-I105 HydrophobicContact CG-CG1 4.09Å; F74-I105 HydrophobicContact CE2-CG1 4.15Å; F74-I105 HydrophobicContact CZ-CG1 3.93Å; S101-I105 WeakPolarHBondContact O-CB 3.44Å; S101-I105 WeakPolarHBondContact O-CD1 3.23Å; S101-I105 VanDerWaalsContact O-CG1 3.23Å; S101-I105 WeakPolarHBondContact O-CG1 3.3Å; S101-I105 PolarHBondContact O-N 2.91Å; L102-I105 PolarHBondContact O-N 2.83Å; I105-L107 VanDerWaalsContact C-N 3.34Å; I105-L107 PolarHBondContact O-N 2.96Å; I105-M108 PolarHBondContact O-N 3.33Å; I105-K109 HydrophobicContact CG2-CD 3.84Å; I105-K109 HydrophobicContact CG2-CG 4.34Å; I105-K109 WeakPolarHBondContact O-CG 3.48Å; I105-K109 PolarHBondContact O-N 2.86Å; I105-V117 HydrophobicContact CG2-CG1 4.11Å; I105-T132 HydrophobicContact CD1-CG2 4.11Å; I105-F140 HydrophobicContact CD1-CE1 3.98Å; I105-F140 HydrophobicContact CD1-CZ 4.21Å; I105-F140 HydrophobicContact CG2-CE1 4.29Å |
| 106 | D | 98.6 | Very high | 97.6 | Very high | 56 Ų | 56 | 45 Ų | 45 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 177.8 | -75 | -21.9 | 0 | 0 | 0 | 111.7 | L102 Q103 M108 K109 S110 R136 | L102-D106 VanDerWaalsContact O-CB 3.3Å; L102-D106 WeakPolarHBondContact O-CB 3.24Å; L102-D106 PolarHBondContact O-N 3Å; Q103-D106 PolarHBondContact O-N 3.18Å; D106-M108 VanDerWaalsContact C-N 3.33Å; D106-M108 PolarHBondContact O-N 3.33Å; D106-K109 PolarHBondContact O-N 2.79Å; D106-S110 WeakPolarHBondContact O-CB 3.46Å; D106-S110 PolarHBondContact O-N 3.18Å; D106-R136 IonicContact OD1-CZ 3.78Å; D106-R136 IonicContact OD1-NH1 2.71Å; D106-R136 PolarHBondContact OD1-NH1 2.85Å; D106-R136 IonicContact OD1-NH2 3.99Å; D106-R136 IonicContact OD2-CZ 3.35Å; D106-R136 IonicContact OD2-NH1 2.99Å; D106-R136 PolarHBondContact OD2-NH1 2.8Å; D106-R136 IonicContact OD2-NH2 2.8Å; D106-R136 PolarHBondContact OD2-NH2 3.01Å |
| 107 | L | 98.6 | Very high | 97.6 | Very high | 65 Ų | 65 | 44.7 Ų | 44.7 | 34% | 0.34 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58 | -46.8 | 173.1 | -176.9 | 66.5 | 0 | 0 | 0 | 110.7 | I23 Q103 H104 I105 S110 H111 | I23-L107 HydrophobicContact CG2-CD2 3.64Å; Q103-L107 WeakPolarHBondContact O-CB 3.37Å; Q103-L107 PolarHBondContact O-N 2.87Å; H104-L107 WeakPolarHBondContact O-CB 3.42Å; H104-L107 PolarHBondContact O-N 3.09Å; I105-L107 VanDerWaalsContact C-N 3.34Å; I105-L107 PolarHBondContact O-N 2.96Å; L107-S110 PolarHBondContact O-N 2.93Å; L107-S110 PolarHBondContact O-OG 3.41Å; L107-H111 PolarHBondContact O-N 3.32Å; L107-H111 PolarHBondContact O-ND1 3.28Å |
| 108 | M | 98.3 | Very high | 97.6 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.1 | -39.7 | 180 | -66.2 | -53.4 | -68.3 | 0 | 0 | 112.9 | Y35 L45 L72 F74 H104 I105 D106 S110 H111 R112 | Y35-M108 HydrophobicContact CD1-CE 4.2Å; Y35-M108 HydrophobicContact CD1-SD 4.34Å; Y35-M108 HydrophobicContact CE1-CE 4.1Å; Y35-M108 HydrophobicContact CE1-SD 3.64Å; L45-M108 HydrophobicContact CD1-CB 3.97Å; L72-M108 HydrophobicContact CD1-CE 3.86Å; L72-M108 HydrophobicContact CD2-CE 3.41Å; L72-M108 VanDerWaalsContact CD2-CE 3.41Å; L72-M108 HydrophobicContact CG-CE 4.32Å; F74-M108 HydrophobicContact CD1-CG 4.16Å; F74-M108 HydrophobicContact CD2-CG 3.56Å; F74-M108 HydrophobicContact CE1-CB 4.27Å; F74-M108 HydrophobicContact CE1-CG 4.18Å; F74-M108 HydrophobicContact CE2-CB 4.13Å; F74-M108 HydrophobicContact CE2-CG 3.55Å; F74-M108 HydrophobicContact CG-CG 3.87Å; F74-M108 HydrophobicContact CZ-CB 3.98Å; F74-M108 HydrophobicContact CZ-CG 3.87Å; H104-M108 WeakPolarHBondContact O-CG 3.32Å; H104-M108 PolarHBondContact O-N 3.49Å; I105-M108 PolarHBondContact O-N 3.33Å; D106-M108 VanDerWaalsContact C-N 3.33Å; D106-M108 PolarHBondContact O-N 3.33Å; M108-S110 VanDerWaalsContact C-N 3.28Å; M108-S110 PolarHBondContact O-N 3.15Å; M108-H111 PolarHBondContact O-N 3.08Å; M108-R112 PolarHBondContact O-N 3.44Å |
| 109 | K | 97.7 | Very high | 97.6 | Very high | 60 Ų | 60 | 44.7 Ų | 44.7 | 26% | 0.261 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.2 | -37.5 | 173.4 | -73.7 | 172.8 | 70.7 | 169.5 | 0 | 111.7 | L45 I105 D106 H111 R112 P113 V117 D139 | L45-K109 HydrophobicContact CD1-CG 4.27Å; I105-K109 HydrophobicContact CG2-CD 3.84Å; I105-K109 HydrophobicContact CG2-CG 4.34Å; I105-K109 WeakPolarHBondContact O-CG 3.48Å; I105-K109 PolarHBondContact O-N 2.86Å; D106-K109 PolarHBondContact O-N 2.79Å; K109-H111 VanDerWaalsContact C-N 3.32Å; K109-H111 PolarHBondContact O-N 3.01Å; K109-R112 CarbonylContact O-C 3.57Å; K109-R112 PolarHBondContact O-N 3.46Å; K109-P113 WeakPolarHBondContact O-CA 3.24Å; K109-P113 VanDerWaalsContact O-N 3.16Å; K109-V117 HydrophobicContact CD-CG2 4.12Å; K109-V117 HydrophobicContact CG-CG2 3.99Å; K109-D139 IonicContact NZ-OD1 3.65Å; K109-D139 PolarHBondContact NZ-OD1 2.78Å; K109-D139 IonicContact NZ-OD2 3.67Å; K109-D139 PolarHBondContact NZ-OD2 3.05Å |
| 110 | S | 97.6 | Very high | 97.6 | Very high | 83 Ų | 83 | 41.8 Ų | 41.8 | 58% | 0.58 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.2 | -34.3 | 178.4 | 76.7 | 0 | 0 | 0 | 0 | 113 | D106 L107 M108 | D106-S110 WeakPolarHBondContact O-CB 3.46Å; D106-S110 PolarHBondContact O-N 3.18Å; L107-S110 PolarHBondContact O-N 2.93Å; L107-S110 PolarHBondContact O-OG 3.41Å; M108-S110 VanDerWaalsContact C-N 3.28Å; M108-S110 PolarHBondContact O-N 3.15Å |
| 111 | H | 96.1 | Very high | 97.6 | Very high | 126 Ų | 126 | 41.7 Ų | 41.7 | 58% | 0.583 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -83.2 | -24.2 | 176.6 | -67.6 | 89.7 | 0 | 0 | 0 | 113 | L107 M108 K109 | L107-H111 PolarHBondContact O-N 3.32Å; L107-H111 PolarHBondContact O-ND1 3.28Å; M108-H111 PolarHBondContact O-N 3.08Å; K109-H111 VanDerWaalsContact C-N 3.32Å; K109-H111 PolarHBondContact O-N 3.01Å |
| 112 | R | 93.5 | Very high | 97.6 | Very high | 79 Ų | 79 | 42 Ų | 42 | 30% | 0.298 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -133.2 | 69.2 | -176.3 | -53.8 | -66 | -179.5 | 116.7 | 10.2 | 110.4 | E37 L45 L72 M108 K109 L115 | E37-R112 IonicContact OE2-NH2 2.97Å; L45-R112 HydrophobicContact CD1-CB 4.36Å; L45-R112 HydrophobicContact CD2-CB 4.1Å; L45-R112 HydrophobicContact CD2-CG 4.14Å; L72-R112 HydrophobicContact CD1-CG 4.5Å; M108-R112 PolarHBondContact O-N 3.44Å; K109-R112 CarbonylContact O-C 3.57Å; K109-R112 PolarHBondContact O-N 3.46Å; R112-L115 HydrophobicContact CB-CD1 3.73Å; R112-L115 HydrophobicContact CB-CG 4.27Å; R112-L115 HydrophobicContact CG-CD1 4.43Å |
| 113 | P | 92.8 | Very high | 97.5 | Very high | 85 Ų | 85 | 42.4 Ų | 42.4 | 55% | 0.552 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 151.2 | -174.7 | 26.9 | -35.2 | 0 | 0 | 0 | 111.7 | K109 L115 | K109-P113 WeakPolarHBondContact O-CA 3.24Å; K109-P113 VanDerWaalsContact O-N 3.16Å; P113-L115 PolarHBondContact O-N 2.81Å; P113-L115 VanDerWaalsContact O-N 3.15Å |
| 114 | N | 92.6 | Very high | 97.5 | Very high | 166 Ų | 166 | 39.4 Ų | 39.4 | 89% | 0.888 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 5.7 | 175.9 | -49.3 | -43.2 | 0 | 0 | 0 | 116.5 | ||
| 115 | L | 97 | Very high | 97.5 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | trans | -75.3 | 140.1 | 172 | -67.1 | -171.4 | 0 | 0 | 0 | 111.1 | P42 L45 R112 P113 | P42-L115 HydrophobicContact CB-CD1 4.2Å; P42-L115 HydrophobicContact CG-CD1 3.86Å; P42-L115 WeakPolarHBondContact O-CD2 3.41Å; L45-L115 HydrophobicContact CD2-CD1 4.05Å; L45-L115 HydrophobicContact CG-CB 4.17Å; L45-L115 HydrophobicContact CG-CD1 4.22Å; R112-L115 HydrophobicContact CB-CD1 3.73Å; R112-L115 HydrophobicContact CB-CG 4.27Å; R112-L115 HydrophobicContact CG-CD1 4.43Å; P113-L115 PolarHBondContact O-N 2.81Å; P113-L115 VanDerWaalsContact O-N 3.15Å | ||
| 116 | P | 98.1 | Very high | 97.5 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | trans | -50.5 | 142.2 | 163.8 | -22.7 | 30.8 | 0 | 0 | 0 | 110.9 | R43 A44 L45 F118 T141 P296 | R43-P116 WeakPolarHBondContact O-CD 3.43Å; A44-P116 WeakPolarHBondContact CA-O 3.06Å; A44-P116 HydrophobicContact CB-CB 3.97Å; A44-P116 HydrophobicContact CB-CG 4.4Å; A44-P116 WeakPolarHBondContact CB-O 3.33Å; L45-P116 PolarHBondContact N-O 3.07Å; P116-F118 HydrophobicContact CB-CE2 3.95Å; P116-T141 WeakPolarHBondContact CA-OG1 3.44Å; P116-T141 HydrophobicContact CB-CG2 4.26Å; P116-T141 WeakPolarHBondContact CB-OG1 3.45Å; P116-P296 HydrophobicContact CG-CG 3.59Å | ||
| 117 | V | 98.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.9 | 177.8 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | L45 I105 K109 F140 T141 | L45-V117 HydrophobicContact CB-CG2 4.35Å; L45-V117 HydrophobicContact CD1-CG2 4.29Å; L45-V117 WeakPolarHBondContact O-CA 3.13Å; I105-V117 HydrophobicContact CG2-CG1 4.11Å; K109-V117 HydrophobicContact CD-CG2 4.12Å; K109-V117 HydrophobicContact CG-CG2 3.99Å; V117-F140 HydrophobicContact CB-CD1 4.27Å; V117-F140 HydrophobicContact CG1-CD1 3.93Å; V117-F140 HydrophobicContact CG1-CE1 4.02Å; V117-F140 CarbonylContact O-C 3.57Å; V117-F140 WeakPolarHBondContact O-CA 3.23Å; V117-T141 PolarHBondContact O-N 3.36Å |
| 118 | F | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 156.5 | 172.7 | -62.9 | -94.3 | 0 | 0 | 0 | 110.4 | A44 L45 V46 F47 P116 T141 G142 W290 I291 R294 L295 | A44-F118 HydrophobicContact CB-CD2 4.01Å; A44-F118 HydrophobicContact CB-CE2 3.89Å; L45-F118 PolarHBondContact O-N 2.9Å; V46-F118 WeakPolarHBondContact CA-O 3.49Å; V46-F118 HydrophobicContact CG1-CB 4.32Å; V46-F118 HydrophobicContact CG2-CB 4.27Å; F47-F118 PolarHBondContact N-O 3.37Å; P116-F118 HydrophobicContact CB-CE2 3.95Å; F118-T141 HydrophobicContact CE1-CG2 3.82Å; F118-T141 HydrophobicContact CE2-CG2 4.1Å; F118-T141 HydrophobicContact CZ-CG2 3.43Å; F118-T141 VanDerWaalsContact CZ-CG2 3.43Å; F118-G142 VanDerWaalsContact CA-O 3.26Å; F118-G142 WeakPolarHBondContact CA-O 3.44Å; F118-W290 HydrophobicContact CD1-CZ3 4.19Å; F118-W290 HydrophobicContact CE1-CZ3 4.23Å; F118-I291 HydrophobicContact CD1-CG1 4.19Å; F118-I291 HydrophobicContact CD1-CG2 4.17Å; F118-I291 HydrophobicContact CD2-CG2 3.95Å; F118-I291 HydrophobicContact CE1-CG2 4.23Å; F118-I291 HydrophobicContact CE2-CG2 4.02Å; F118-I291 HydrophobicContact CG-CG1 4.48Å; F118-I291 HydrophobicContact CG-CG2 4.03Å; F118-I291 HydrophobicContact CZ-CG2 4.15Å; F118-R294 HydrophobicContact CE1-CB 3.92Å; F118-R294 HydrophobicContact CZ-CB 3.82Å; F118-L295 HydrophobicContact CE2-CD2 4.07Å |
| 119 | I | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.2 | 168.6 | -47.1 | 176.5 | 0 | 0 | 0 | 108.8 | F47 S129 T132 F140 G142 V143 V144 | F47-I119 HydrophobicContact CD1-CG2 3.98Å; F47-I119 CarbonylContact O-C 3.5Å; F47-I119 WeakPolarHBondContact O-CA 3.34Å; I119-S129 WeakPolarHBondContact CG2-OG 3.45Å; I119-T132 HydrophobicContact CD1-CG2 3.85Å; I119-F140 HydrophobicContact CD1-CD1 3.76Å; I119-F140 HydrophobicContact CD1-CD2 4.45Å; I119-F140 HydrophobicContact CD1-CE1 3.59Å; I119-F140 HydrophobicContact CD1-CE2 4.29Å; I119-F140 HydrophobicContact CD1-CG 4.2Å; I119-F140 HydrophobicContact CD1-CZ 3.87Å; I119-F140 HydrophobicContact CG1-CD1 3.74Å; I119-F140 HydrophobicContact CG1-CE1 3.84Å; I119-F140 HydrophobicContact CG1-CG 4.44Å; I119-G142 PolarHBondContact N-O 2.99Å; I119-G142 VanDerWaalsContact N-O 3.16Å; I119-V143 HydrophobicContact CB-CG1 4.42Å; I119-V143 CarbonylContact O-C 3.59Å; I119-V143 WeakPolarHBondContact O-CA 3.43Å; I119-V144 PolarHBondContact O-N 3.44Å |
| 120 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.1 | 166.6 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | V46 F47 I48 A49 V144 I146 V287 I291 | V46-V120 HydrophobicContact CG1-CG2 3.7Å; F47-V120 PolarHBondContact O-N 3.36Å; I48-V120 CarbonylContact C-O 3.3Å; I48-V120 WeakPolarHBondContact CA-O 3.4Å; I48-V120 HydrophobicContact CG1-CB 4.31Å; A49-V120 PolarHBondContact N-O 2.91Å; V120-V144 CarbonylContact C-O 3.19Å; V120-V144 WeakPolarHBondContact CA-O 3.35Å; V120-V144 HydrophobicContact CG1-CB 4.46Å; V120-V144 HydrophobicContact CG2-CB 4.19Å; V120-I146 HydrophobicContact CG1-CD1 4.27Å; V120-V287 HydrophobicContact CG2-CG1 4.4Å; V120-I291 HydrophobicContact CG2-CD1 3.94Å |
| 121 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A49 S129 V144 L145 I146 | A49-G121 WeakPolarHBondContact O-CA 3.32Å; G121-S129 WeakPolarHBondContact CA-OG 3.5Å; G121-V144 PolarHBondContact N-O 2.97Å; G121-L145 WeakPolarHBondContact O-CA 3.44Å; G121-I146 PolarHBondContact O-N 2.88Å |
| 122 | H | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 20.1 Ų | 20.1 | 2% | 0.023 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 140.8 | 173.4 | 164 | 62.9 | 0 | 0 | 0 | 111.2 | A49 E54 Y59 M124 G125 G126 I146 H270 H273 | A49-H122 PolarHBondContact O-N 2.89Å; E54-H122 IonicContact OE1-CD2 3.42Å; Y59-H122 HydrophobicContact CE1-CB 4.23Å; Y59-H122 VanDerWaalsContact OH-CB 3.28Å; Y59-H122 WeakPolarHBondContact OH-CB 3.13Å; Y59-H122 PolarHBondContact OH-CD2 3.43Å; H122-M124 PolarHBondContact O-N 2.8Å; H122-G125 CarbonylContact O-C 3.55Å; H122-G125 WeakPolarHBondContact O-CA 3.25Å; H122-G125 PolarHBondContact O-N 3.22Å; H122-G126 PolarHBondContact O-N 2.88Å; H122-G126 VanDerWaalsContact O-N 3.09Å; H122-I146 WeakPolarHBondContact CA-O 3.28Å; H122-I146 HydrophobicContact CB-CB 4.27Å; H122-I146 PolarHBondContact ND1-O 2.58Å; H122-H270 AromaticContact CE1-CD2 3.65Å; H122-H270 AromaticContact CE1-CE1 3.92Å; H122-H270 AromaticContact CE1-NE2 3.57Å; H122-H270 PolarHBondContact CE1-O 2.86Å; H122-H270 AromaticContact NE2-CD2 3.8Å; H122-H270 AromaticContact NE2-NE2 3.74Å; H122-H273 AromaticContact CD2-CE1 3.67Å; H122-H273 AromaticContact CG-CE1 3.55Å; H122-H273 AromaticContact ND1-CE1 3.82Å |
| 123 | S | 97.6 | Very high | 98.1 | Very high | 16 Ų | 16 | 16.3 Ų | 16.3 | 11% | 0.112 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -123.3 | 174.5 | -167.4 | 0 | 0 | 0 | 0 | 112.6 | G125 G126 A127 I146 G147 M149 H270 | S123-G125 VanDerWaalsContact C-N 3.28Å; S123-G125 PolarHBondContact O-N 3.08Å; S123-G126 WeakPolarHBondContact O-CA 3.44Å; S123-G126 PolarHBondContact O-N 3.47Å; S123-A127 PolarHBondContact O-N 3.46Å; S123-I146 PolarHBondContact N-O 3.14Å; S123-G147 VanDerWaalsContact CA-O 3.24Å; S123-G147 WeakPolarHBondContact CA-O 3.32Å; S123-G147 PolarHBondContact N-O 3.47Å; S123-M149 WeakPolarHBondContact O-CB 3.15Å; S123-M149 PolarHBondContact O-N 3.15Å; S123-H270 WeakPolarHBondContact CB-NE2 3.33Å; S123-H270 PolarHBondContact OG-CE1 2.95Å; S123-H270 VanDerWaalsContact OG-CE1 3.31Å; S123-H270 PolarHBondContact OG-NE2 3.33Å |
| 124 | M | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -55.5 | -40.2 | 170.4 | -177.2 | -170.1 | 73.6 | 0 | 0 | 112.5 | A52 F94 Y97 H122 G126 A127 I128 F210 L214 | A52-M124 HydrophobicContact CB-CB 3.92Å; A52-M124 HydrophobicContact CB-CE 4.18Å; A52-M124 HydrophobicContact CB-CG 4.4Å; A52-M124 HydrophobicContact CB-SD 3.71Å; F94-M124 HydrophobicContact CE2-CG 3.81Å; F94-M124 HydrophobicContact CE2-SD 4.15Å; F94-M124 HydrophobicContact CZ-CG 3.9Å; Y97-M124 HydrophobicContact CE2-CE 4.44Å; Y97-M124 HydrophobicContact CE2-SD 4.13Å; H122-M124 PolarHBondContact O-N 2.8Å; M124-G126 PolarHBondContact O-N 2.83Å; M124-A127 WeakPolarHBondContact O-CA 3.34Å; M124-A127 WeakPolarHBondContact O-CB 3.38Å; M124-A127 PolarHBondContact O-N 3.34Å; M124-I128 HydrophobicContact CE-CD1 3.98Å; M124-I128 HydrophobicContact CG-CD1 4.24Å; M124-I128 WeakPolarHBondContact O-CG1 3.36Å; M124-I128 PolarHBondContact O-N 3.05Å; M124-F210 HydrophobicContact SD-CE1 4.44Å; M124-F210 HydrophobicContact SD-CE2 4.49Å; M124-F210 HydrophobicContact SD-CZ 3.63Å; M124-L214 HydrophobicContact CG-CD2 3.95Å; M124-L214 HydrophobicContact SD-CD2 3.92Å |
| 125 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.3 | -33.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A49 H50 H122 S123 I128 S129 | A49-G125 WeakPolarHBondContact O-CA 3.48Å; H50-G125 WeakPolarHBondContact O-CA 3.5Å; H50-G125 PolarHBondContact O-N 3.28Å; H50-G125 VanDerWaalsContact O-N 3.13Å; H122-G125 CarbonylContact O-C 3.55Å; H122-G125 WeakPolarHBondContact O-CA 3.25Å; H122-G125 PolarHBondContact O-N 3.22Å; S123-G125 VanDerWaalsContact C-N 3.28Å; S123-G125 PolarHBondContact O-N 3.08Å; G125-I128 PolarHBondContact O-N 2.86Å; G125-S129 WeakPolarHBondContact O-CB 3.48Å; G125-S129 PolarHBondContact O-N 3.02Å; G125-S129 PolarHBondContact O-OG 2.82Å |
| 126 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | H122 S123 M124 S129 I130 L145 | H122-G126 PolarHBondContact O-N 2.88Å; H122-G126 VanDerWaalsContact O-N 3.09Å; S123-G126 WeakPolarHBondContact O-CA 3.44Å; S123-G126 PolarHBondContact O-N 3.47Å; M124-G126 PolarHBondContact O-N 2.83Å; G126-S129 PolarHBondContact O-N 2.81Å; G126-I130 WeakPolarHBondContact O-CD1 3.33Å; G126-I130 VanDerWaalsContact O-CG1 3.25Å; G126-I130 WeakPolarHBondContact O-CG1 3.45Å; G126-I130 PolarHBondContact O-N 3.44Å; G126-L145 WeakPolarHBondContact O-CD2 3.41Å |
| 127 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F94 S123 M124 I130 L131 M149 I221 | F94-A127 HydrophobicContact CE1-CB 4.48Å; F94-A127 HydrophobicContact CZ-CB 4.18Å; S123-A127 PolarHBondContact O-N 3.46Å; M124-A127 WeakPolarHBondContact O-CA 3.34Å; M124-A127 WeakPolarHBondContact O-CB 3.38Å; M124-A127 PolarHBondContact O-N 3.34Å; A127-I130 PolarHBondContact O-N 2.79Å; A127-L131 WeakPolarHBondContact O-CG 3.36Å; A127-L131 PolarHBondContact O-N 3.47Å; A127-M149 HydrophobicContact CB-CB 4.21Å; A127-M149 HydrophobicContact CB-CE 3.83Å; A127-I221 HydrophobicContact CB-CD1 3.51Å |
| 128 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.2 | -65.2 | 164.6 | 0 | 0 | 0 | 110 | H78 F94 Y97 S101 M124 G125 I130 L131 T132 | H78-I128 WeakPolarHBondContact NE2-CD1 3.41Å; F94-I128 HydrophobicContact CE1-CG1 3.81Å; F94-I128 HydrophobicContact CZ-CD1 4.39Å; F94-I128 HydrophobicContact CZ-CG1 3.64Å; Y97-I128 HydrophobicContact CD2-CD1 4.05Å; Y97-I128 HydrophobicContact CD2-CG1 4.42Å; Y97-I128 HydrophobicContact CG-CD1 3.86Å; Y97-I128 HydrophobicContact CG-CG1 4.36Å; S101-I128 WeakPolarHBondContact OG-CG2 3.42Å; M124-I128 HydrophobicContact CE-CD1 3.98Å; M124-I128 HydrophobicContact CG-CD1 4.24Å; M124-I128 WeakPolarHBondContact O-CG1 3.36Å; M124-I128 PolarHBondContact O-N 3.05Å; G125-I128 PolarHBondContact O-N 2.86Å; I128-I130 PolarHBondContact O-N 3.48Å; I128-L131 PolarHBondContact O-N 2.81Å; I128-T132 WeakPolarHBondContact O-CB 3.35Å; I128-T132 PolarHBondContact O-N 2.68Å; I128-T132 PolarHBondContact O-OG1 2.65Å |
| 129 | S | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60 | -45.5 | 178 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | I119 G121 G125 G126 T132 A133 | I119-S129 WeakPolarHBondContact CG2-OG 3.45Å; G121-S129 WeakPolarHBondContact CA-OG 3.5Å; G125-S129 WeakPolarHBondContact O-CB 3.48Å; G125-S129 PolarHBondContact O-N 3.02Å; G125-S129 PolarHBondContact O-OG 2.82Å; G126-S129 PolarHBondContact O-N 2.81Å; S129-T132 PolarHBondContact O-N 2.86Å; S129-A133 WeakPolarHBondContact O-CB 3.12Å; S129-A133 PolarHBondContact O-N 3.11Å |
| 130 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60 | -52.5 | 177.5 | -68.1 | 161.3 | 0 | 0 | 0 | 110.3 | G126 A127 I128 T132 A133 C134 L145 P148 V150 I221 I228 W230 M251 | G126-I130 WeakPolarHBondContact O-CD1 3.33Å; G126-I130 VanDerWaalsContact O-CG1 3.25Å; G126-I130 WeakPolarHBondContact O-CG1 3.45Å; G126-I130 PolarHBondContact O-N 3.44Å; A127-I130 PolarHBondContact O-N 2.79Å; I128-I130 PolarHBondContact O-N 3.48Å; I130-T132 PolarHBondContact O-N 3.4Å; I130-A133 PolarHBondContact O-N 2.87Å; I130-C134 PolarHBondContact O-N 3.38Å; I130-C134 PolarHBondContact O-SG 3.42Å; I130-L145 HydrophobicContact CD1-CD1 3.99Å; I130-L145 HydrophobicContact CD1-CD2 4.42Å; I130-L145 HydrophobicContact CG1-CD1 3.74Å; I130-L145 HydrophobicContact CG1-CD2 3.97Å; I130-P148 HydrophobicContact CD1-CB 4.31Å; I130-V150 HydrophobicContact CD1-CG2 3.75Å; I130-I221 HydrophobicContact CB-CD1 4.48Å; I130-I221 HydrophobicContact CB-CG1 4.46Å; I130-I221 HydrophobicContact CD1-CD1 4.29Å; I130-I221 HydrophobicContact CD1-CG2 4.36Å; I130-I221 HydrophobicContact CG2-CG1 4.02Å; I130-I221 HydrophobicContact CG2-CG2 4.03Å; I130-I228 HydrophobicContact CG2-CD1 3.94Å; I130-W230 HydrophobicContact CB-CH2 4.49Å; I130-W230 HydrophobicContact CG1-CH2 4.2Å; I130-W230 HydrophobicContact CG2-CH2 4.44Å; I130-W230 HydrophobicContact CG2-CZ2 4.24Å; I130-M251 HydrophobicContact CD1-CE 4.34Å; I130-M251 HydrophobicContact CD1-SD 3.96Å; I130-M251 HydrophobicContact CG1-CE 4.14Å; I130-M251 HydrophobicContact CG1-SD 4.41Å |
| 131 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.5 | -34.9 | -176.5 | -67.2 | 177.7 | 0 | 0 | 0 | 112.3 | F94 I98 A127 I128 C134 E135 A217 R220 I221 E224 | F94-L131 HydrophobicContact CD1-CD1 4.01Å; F94-L131 HydrophobicContact CE1-CD1 3.99Å; I98-L131 HydrophobicContact CD1-CB 4Å; I98-L131 HydrophobicContact CD1-CD1 4.05Å; I98-L131 HydrophobicContact CG1-CB 3.65Å; A127-L131 WeakPolarHBondContact O-CG 3.36Å; A127-L131 PolarHBondContact O-N 3.47Å; I128-L131 PolarHBondContact O-N 2.81Å; L131-C134 PolarHBondContact O-N 3.01Å; L131-E135 PolarHBondContact O-N 3.39Å; L131-A217 HydrophobicContact CD1-CB 4.29Å; L131-R220 HydrophobicContact CD2-CB 4.27Å; L131-R220 HydrophobicContact CD2-CG 3.7Å; L131-I221 HydrophobicContact CD1-CG1 4.25Å; L131-I221 HydrophobicContact CD2-CG1 3.68Å; L131-I221 HydrophobicContact CG-CD1 4.37Å; L131-I221 HydrophobicContact CG-CG1 3.77Å; L131-E224 HydrophobicContact CD2-CG 4.32Å |
| 132 | T | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.2 | -46.5 | 172 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | L102 I105 I119 I128 S129 I130 E135 R136 F140 | L102-T132 HydrophobicContact CD2-CG2 3.67Å; L102-T132 HydrophobicContact CG-CG2 4.01Å; I105-T132 HydrophobicContact CD1-CG2 4.11Å; I119-T132 HydrophobicContact CD1-CG2 3.85Å; I128-T132 WeakPolarHBondContact O-CB 3.35Å; I128-T132 PolarHBondContact O-N 2.68Å; I128-T132 PolarHBondContact O-OG1 2.65Å; S129-T132 PolarHBondContact O-N 2.86Å; I130-T132 PolarHBondContact O-N 3.4Å; T132-E135 PolarHBondContact O-N 2.93Å; T132-R136 PolarHBondContact O-N 3.24Å; T132-F140 HydrophobicContact CG2-CE2 4.18Å; T132-F140 HydrophobicContact CG2-CZ 3.76Å |
| 133 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.1 | -33.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | S129 I130 E135 R136 P137 F140 V143 W230 | S129-A133 WeakPolarHBondContact O-CB 3.12Å; S129-A133 PolarHBondContact O-N 3.11Å; I130-A133 PolarHBondContact O-N 2.87Å; A133-E135 VanDerWaalsContact C-N 3.34Å; A133-R136 CarbonylContact O-C 3.56Å; A133-R136 PolarHBondContact O-N 2.92Å; A133-P137 WeakPolarHBondContact O-CA 3.3Å; A133-P137 VanDerWaalsContact O-N 3.11Å; A133-F140 HydrophobicContact CB-CD2 3.85Å; A133-F140 HydrophobicContact CB-CE2 4.29Å; A133-V143 HydrophobicContact CB-CG2 3.8Å; A133-W230 HydrophobicContact CB-CD2 3.9Å; A133-W230 VanDerWaalsContact CB-CE2 3.45Å; A133-W230 HydrophobicContact CB-CG 4.25Å; A133-W230 HydrophobicContact CB-CH2 4.38Å; A133-W230 HydrophobicContact CB-CZ2 3.74Å |
| 134 | C | 98.6 | Very high | 98.2 | Very high | 19 Ų | 19 | 22.1 Ų | 22.1 | 13% | 0.128 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.7 | -33.2 | 174 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | I130 L131 R136 E224 | I130-C134 PolarHBondContact O-N 3.38Å; I130-C134 PolarHBondContact O-SG 3.42Å; L131-C134 PolarHBondContact O-N 3.01Å; C134-R136 VanDerWaalsContact C-N 3.31Å; C134-R136 PolarHBondContact O-N 3.05Å; C134-E224 HydrophobicContact CB-CB 4.37Å; C134-E224 HydrophobicContact CB-CG 4.26Å |
| 135 | E | 98.6 | Very high | 98.2 | Very high | 84 Ų | 84 | 22.1 Ų | 22.1 | 39% | 0.393 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -71.1 | -27.5 | 177.8 | -167.1 | 161.1 | 145.5 | 0 | 0 | 112.5 | Q95 I98 L102 L131 T132 A133 R220 | Q95-E135 PolarHBondContact NE2-OE2 2.98Å; I98-E135 WeakPolarHBondContact CG2-OE2 3.33Å; L102-E135 HydrophobicContact CD1-CB 4.4Å; L102-E135 HydrophobicContact CD1-CG 4.14Å; L131-E135 PolarHBondContact O-N 3.39Å; T132-E135 PolarHBondContact O-N 2.93Å; A133-E135 VanDerWaalsContact C-N 3.34Å; E135-R220 IonicContact OE2-NH2 2.87Å |
| 136 | R | 97.6 | Very high | 98.2 | Very high | 75 Ų | 75 | 22.1 Ų | 22.1 | 28% | 0.283 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -138.3 | 73 | 176.7 | -58 | -166.1 | -172 | 169.7 | 5.5 | 111.8 | L102 D106 T132 A133 C134 S138 D139 F140 | L102-R136 HydrophobicContact CD2-CG 4.18Å; D106-R136 IonicContact OD1-CZ 3.78Å; D106-R136 IonicContact OD1-NH1 2.71Å; D106-R136 PolarHBondContact OD1-NH1 2.85Å; D106-R136 IonicContact OD1-NH2 3.99Å; D106-R136 IonicContact OD2-CZ 3.35Å; D106-R136 IonicContact OD2-NH1 2.99Å; D106-R136 PolarHBondContact OD2-NH1 2.8Å; D106-R136 IonicContact OD2-NH2 2.8Å; D106-R136 PolarHBondContact OD2-NH2 3.01Å; T132-R136 PolarHBondContact O-N 3.24Å; A133-R136 CarbonylContact O-C 3.56Å; A133-R136 PolarHBondContact O-N 2.92Å; C134-R136 VanDerWaalsContact C-N 3.31Å; C134-R136 PolarHBondContact O-N 3.05Å; R136-S138 PolarHBondContact O-N 3.47Å; R136-D139 HydrophobicContact CB-CB 3.87Å; R136-D139 VanDerWaalsContact CD-OD2 3.23Å; R136-D139 WeakPolarHBondContact CD-OD2 3.16Å; R136-D139 IonicContact NH1-OD2 3.52Å; R136-D139 PolarHBondContact O-N 3.3Å; R136-F140 HydrophobicContact CB-CE2 4.17Å; R136-F140 WeakPolarHBondContact O-CD2 3.36Å |
| 137 | P | 94.8 | Very high | 98.1 | Very high | 60 Ų | 60 | 22.1 Ų | 22.1 | 39% | 0.39 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.7 | -168.6 | 25.4 | -35.1 | 0 | 0 | 0 | 114.8 | A133 | A133-P137 WeakPolarHBondContact O-CA 3.3Å; A133-P137 VanDerWaalsContact O-N 3.11Å |
| 138 | S | 95.4 | Very high | 98.1 | Very high | 117 Ų | 117 | 22.1 Ų | 22.1 | 82% | 0.818 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -6.7 | 178.7 | -52.3 | 0 | 0 | 0 | 0 | 114.1 | R136 | R136-S138 PolarHBondContact O-N 3.47Š|
| 139 | D | 95.9 | Very high | 98 | Very high | 50 Ų | 50 | 22.5 Ų | 22.5 | 27% | 0.267 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -82.1 | -18.3 | -174.5 | -90.1 | 14 | 0 | 0 | 0 | 113.3 | K109 R136 | K109-D139 IonicContact NZ-OD1 3.65Å; K109-D139 PolarHBondContact NZ-OD1 2.78Å; K109-D139 IonicContact NZ-OD2 3.67Å; K109-D139 PolarHBondContact NZ-OD2 3.05Å; R136-D139 HydrophobicContact CB-CB 3.87Å; R136-D139 VanDerWaalsContact CD-OD2 3.23Å; R136-D139 WeakPolarHBondContact CD-OD2 3.16Å; R136-D139 IonicContact NH1-OD2 3.52Å; R136-D139 PolarHBondContact O-N 3.3Å |
| 140 | F | 98 | Very high | 97.8 | Very high | 10 Ų | 10 | 22.5 Ų | 22.5 | 4% | 0.044 | 13% | 0.127 | C | C | . | . | trans | -114.9 | 126.4 | -169 | -55.2 | -70.1 | 0 | 0 | 0 | 112 | L102 I105 V117 I119 T132 A133 R136 G142 V143 | L102-F140 HydrophobicContact CD2-CZ 4.24Å; I105-F140 HydrophobicContact CD1-CE1 3.98Å; I105-F140 HydrophobicContact CD1-CZ 4.21Å; I105-F140 HydrophobicContact CG2-CE1 4.29Å; V117-F140 HydrophobicContact CB-CD1 4.27Å; V117-F140 HydrophobicContact CG1-CD1 3.93Å; V117-F140 HydrophobicContact CG1-CE1 4.02Å; V117-F140 CarbonylContact O-C 3.57Å; V117-F140 WeakPolarHBondContact O-CA 3.23Å; I119-F140 HydrophobicContact CD1-CD1 3.76Å; I119-F140 HydrophobicContact CD1-CD2 4.45Å; I119-F140 HydrophobicContact CD1-CE1 3.59Å; I119-F140 HydrophobicContact CD1-CE2 4.29Å; I119-F140 HydrophobicContact CD1-CG 4.2Å; I119-F140 HydrophobicContact CD1-CZ 3.87Å; I119-F140 HydrophobicContact CG1-CD1 3.74Å; I119-F140 HydrophobicContact CG1-CE1 3.84Å; I119-F140 HydrophobicContact CG1-CG 4.44Å; T132-F140 HydrophobicContact CG2-CE2 4.18Å; T132-F140 HydrophobicContact CG2-CZ 3.76Å; A133-F140 HydrophobicContact CB-CD2 3.85Å; A133-F140 HydrophobicContact CB-CE2 4.29Å; R136-F140 HydrophobicContact CB-CE2 4.17Å; R136-F140 WeakPolarHBondContact O-CD2 3.36Å; F140-G142 VanDerWaalsContact C-N 3.29Å; F140-V143 HydrophobicContact CB-CG2 4.49Å | ||
| 141 | T | 98.4 | Very high | 97.1 | Very high | 47 Ų | 47 | 24.8 Ų | 24.8 | 29% | 0.288 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -72.7 | -27 | 174.6 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | P116 V117 F118 P231 R294 | P116-T141 WeakPolarHBondContact CA-OG1 3.44Å; P116-T141 HydrophobicContact CB-CG2 4.26Å; P116-T141 WeakPolarHBondContact CB-OG1 3.45Å; V117-T141 PolarHBondContact O-N 3.36Å; F118-T141 HydrophobicContact CE1-CG2 3.82Å; F118-T141 HydrophobicContact CE2-CG2 4.1Å; F118-T141 HydrophobicContact CZ-CG2 3.43Å; F118-T141 VanDerWaalsContact CZ-CG2 3.43Å; T141-P231 WeakPolarHBondContact O-CG 3.17Å; T141-R294 HydrophobicContact CG2-CB 4.39Å |
| 142 | G | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.1 | 156.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F118 I119 F140 P231 | F118-G142 VanDerWaalsContact CA-O 3.26Å; F118-G142 WeakPolarHBondContact CA-O 3.44Å; I119-G142 PolarHBondContact N-O 2.99Å; I119-G142 VanDerWaalsContact N-O 3.16Å; F140-G142 VanDerWaalsContact C-N 3.29Å; G142-P231 WeakPolarHBondContact CA-O 3.43Å |
| 143 | V | 98.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 123.5 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | I119 A133 F140 L145 W230 P231 F232 L233 | I119-V143 HydrophobicContact CB-CG1 4.42Å; I119-V143 CarbonylContact O-C 3.59Å; I119-V143 WeakPolarHBondContact O-CA 3.43Å; A133-V143 HydrophobicContact CB-CG2 3.8Å; F140-V143 HydrophobicContact CB-CG2 4.49Å; V143-L145 HydrophobicContact CG1-CD1 4.46Å; V143-L145 HydrophobicContact CG1-CD2 3.77Å; V143-L145 HydrophobicContact CG1-CG 3.96Å; V143-W230 HydrophobicContact CB-CE3 3.81Å; V143-W230 HydrophobicContact CB-CH2 4.31Å; V143-W230 HydrophobicContact CB-CZ3 3.51Å; V143-W230 HydrophobicContact CG1-CH2 4.36Å; V143-W230 HydrophobicContact CG1-CZ3 3.99Å; V143-W230 HydrophobicContact CG2-CD2 4.15Å; V143-W230 HydrophobicContact CG2-CE3 3.55Å; V143-W230 HydrophobicContact CG2-CH2 4.34Å; V143-W230 HydrophobicContact CG2-CZ3 3.67Å; V143-P231 PolarHBondContact N-O 3.28Å; V143-F232 HydrophobicContact CB-CB 4.46Å; V143-F232 CarbonylContact O-C 3.59Å; V143-F232 WeakPolarHBondContact O-CA 3.39Å; V143-F232 VanDerWaalsContact O-CB 3.3Å; V143-F232 WeakPolarHBondContact O-CB 3.26Å; V143-L233 PolarHBondContact O-N 3.12Å |
| 144 | V | 98.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.5 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | I119 V120 G121 L233 V287 W290 I291 | I119-V144 PolarHBondContact O-N 3.44Å; V120-V144 CarbonylContact C-O 3.19Å; V120-V144 WeakPolarHBondContact CA-O 3.35Å; V120-V144 HydrophobicContact CG1-CB 4.46Å; V120-V144 HydrophobicContact CG2-CB 4.19Å; G121-V144 PolarHBondContact N-O 2.97Å; V144-L233 HydrophobicContact CG1-CB 4.23Å; V144-L233 HydrophobicContact CG1-CD2 3.93Å; V144-L233 HydrophobicContact CG1-CG 4.3Å; V144-L233 HydrophobicContact CG2-CB 4.27Å; V144-V287 HydrophobicContact CG1-CB 4.43Å; V144-V287 HydrophobicContact CG1-CG1 4.26Å; V144-V287 HydrophobicContact CG1-CG2 3.85Å; V144-W290 HydrophobicContact CG2-CD2 4.39Å; V144-W290 HydrophobicContact CG2-CE3 3.59Å; V144-W290 HydrophobicContact CG2-CZ3 3.87Å; V144-I291 HydrophobicContact CG2-CD1 4.05Å; V144-I291 HydrophobicContact CG2-CG1 3.88Å |
| 145 | L | 98.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 119.2 | -169.8 | -63.5 | 172.8 | 0 | 0 | 0 | 109.8 | G121 G126 I130 V143 P148 L233 L234 L235 M251 | G121-L145 WeakPolarHBondContact O-CA 3.44Å; G126-L145 WeakPolarHBondContact O-CD2 3.41Å; I130-L145 HydrophobicContact CD1-CD1 3.99Å; I130-L145 HydrophobicContact CD1-CD2 4.42Å; I130-L145 HydrophobicContact CG1-CD1 3.74Å; I130-L145 HydrophobicContact CG1-CD2 3.97Å; V143-L145 HydrophobicContact CG1-CD1 4.46Å; V143-L145 HydrophobicContact CG1-CD2 3.77Å; V143-L145 HydrophobicContact CG1-CG 3.96Å; L145-P148 HydrophobicContact CB-CB 4.12Å; L145-P148 HydrophobicContact CB-CG 3.94Å; L145-P148 HydrophobicContact CD2-CB 4.39Å; L145-L233 PolarHBondContact N-O 3.25Å; L145-L234 HydrophobicContact CB-CD2 3.72Å; L145-L234 HydrophobicContact CD1-CD2 3.61Å; L145-L234 HydrophobicContact CD1-CG 4.39Å; L145-L234 HydrophobicContact CG-CD2 4.32Å; L145-L235 PolarHBondContact O-N 3.47Å; L145-M251 HydrophobicContact CD1-CE 3.75Å; L145-M251 HydrophobicContact CD1-SD 4.05Å |
| 146 | I | 98.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 107.3 | -177.4 | -49.3 | 176 | 0 | 0 | 0 | 108.8 | I62 V120 G121 H122 S123 L235 L272 H273 V283 V287 | I62-I146 HydrophobicContact CD1-CD1 4.01Å; V120-I146 HydrophobicContact CG1-CD1 4.27Å; G121-I146 PolarHBondContact O-N 2.88Å; H122-I146 WeakPolarHBondContact CA-O 3.28Å; H122-I146 HydrophobicContact CB-CB 4.27Å; H122-I146 PolarHBondContact ND1-O 2.58Å; S123-I146 PolarHBondContact N-O 3.14Å; I146-L235 HydrophobicContact CG1-CD1 4.42Å; I146-L272 HydrophobicContact CG2-CB 3.88Å; I146-L272 HydrophobicContact CG2-CD1 4.36Å; I146-L272 HydrophobicContact CG2-CG 4.47Å; I146-H273 HydrophobicContact CD1-CB 4.35Å; I146-V283 HydrophobicContact CD1-CG1 4.26Å; I146-V287 HydrophobicContact CD1-CG2 4.1Å |
| 147 | G | 97.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 51.4 | 50.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | S123 L235 | S123-G147 VanDerWaalsContact CA-O 3.24Å; S123-G147 WeakPolarHBondContact CA-O 3.32Å; S123-G147 PolarHBondContact N-O 3.47Å; G147-L235 PolarHBondContact N-O 3.18Å |
| 148 | P | 98.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | trans | -68.9 | 146.1 | -171.5 | 31.1 | -38.3 | 0 | 0 | 0 | 112.4 | I130 L145 V150 L234 | I130-P148 HydrophobicContact CD1-CB 4.31Å; L145-P148 HydrophobicContact CB-CB 4.12Å; L145-P148 HydrophobicContact CB-CG 3.94Å; L145-P148 HydrophobicContact CD2-CB 4.39Å; P148-V150 HydrophobicContact CB-CG2 4.26Å; P148-V150 HydrophobicContact CG-CG2 4.09Å; P148-V150 PolarHBondContact O-N 3.49Å; P148-L234 HydrophobicContact CG-CD2 3.62Å | ||
| 149 | M | 96.6 | Very high | 84.4 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | trans | -76.5 | 68.2 | 174.5 | -169.6 | -168.8 | 74 | 0 | 0 | 111.7 | S123 A127 M152 L214 A217 C243 | S123-M149 WeakPolarHBondContact O-CB 3.15Å; S123-M149 PolarHBondContact O-N 3.15Å; A127-M149 HydrophobicContact CB-CB 4.21Å; A127-M149 HydrophobicContact CB-CE 3.83Å; M149-M152 HydrophobicContact CG-CG 4.23Å; M149-M152 HydrophobicContact SD-CG 4.4Å; M149-L214 HydrophobicContact CE-CB 4.01Å; M149-L214 HydrophobicContact CE-CD2 3.9Å; M149-L214 WeakPolarHBondContact CE-O 3.49Å; M149-L214 HydrophobicContact SD-CB 3.94Å; M149-L214 HydrophobicContact SD-CD1 4.4Å; M149-L214 HydrophobicContact SD-CD2 3.96Å; M149-L214 HydrophobicContact SD-CG 4.31Å; M149-A217 HydrophobicContact CE-CB 4.2Å; M149-C243 VanDerWaalsContact CA-SG 3.59Å | ||
| 150 | V | 94.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -80.6 | -43.9 | 171 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | I130 P148 I221 I225 G247 M250 M251 | I130-V150 HydrophobicContact CD1-CG2 3.75Å; P148-V150 HydrophobicContact CB-CG2 4.26Å; P148-V150 HydrophobicContact CG-CG2 4.09Å; P148-V150 PolarHBondContact O-N 3.49Å; V150-I221 HydrophobicContact CB-CG2 4.49Å; V150-I221 HydrophobicContact CG1-CG2 3.93Å; V150-I221 HydrophobicContact CG2-CG2 4.4Å; V150-I225 HydrophobicContact CG1-CD1 4.07Å; V150-G247 WeakPolarHBondContact CG1-O 3.43Å; V150-M250 HydrophobicContact CG1-CE 4.09Å; V150-M251 HydrophobicContact CG1-CB 4.46Å; V150-M251 HydrophobicContact CG2-SD 4.11Å |
| 151 | Q | 84.1 | Confident | 81.1 | Confident | 49 Ų | 49 | 35.3 Ų | 35.3 | 23% | 0.229 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -134.5 | 136.1 | 172.1 | -73.7 | -172.9 | -32.2 | 0 | 0 | 109.3 | E222 D244 M250 | Q151-E222 WeakPolarHBondContact CG-OE1 3.3Å; Q151-E222 PolarHBondContact NE2-OE1 3.27Å; Q151-D244 PolarHBondContact O-N 2.85Å; Q151-M250 HydrophobicContact CG-CE 3.97Å |
| 152 | M | 74.8 | Confident | 79.3 | Confident | 44 Ų | 44 | 36.6 Ų | 36.6 | 22% | 0.217 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -78.9 | 144.1 | 171.7 | -58.2 | 179.7 | 72.1 | 0 | 0 | 109.3 | M149 P154 A157 L214 M215 | M149-M152 HydrophobicContact CG-CG 4.23Å; M149-M152 HydrophobicContact SD-CG 4.4Å; M152-P154 WeakPolarHBondContact O-CD 3.41Å; M152-A157 HydrophobicContact CB-CB 4.44Å; M152-L214 HydrophobicContact SD-CB 4.23Å; M152-M215 HydrophobicContact SD-CG 3.91Å |
| 153 | N | 70.2 | Confident | 77.6 | Confident | 18 Ų | 18 | 40.2 Ų | 40.2 | 10% | 0.096 | 22% | 0.217 | C | C | . | . | trans | -55.2 | 123.4 | 177.9 | -172.4 | -36.1 | 0 | 0 | 0 | 111.3 | E155 S156 A157 K241 L242 | N153-E155 VanDerWaalsContact C-N 3.25Å; N153-E155 PolarHBondContact O-N 2.93Å; N153-E155 PolarHBondContact OD1-N 2.85Å; N153-S156 PolarHBondContact O-N 3.2Å; N153-A157 VanDerWaalsContact O-CB 3.32Å; N153-A157 WeakPolarHBondContact O-CB 3.37Å; N153-A157 PolarHBondContact O-N 3.47Å; N153-K241 PolarHBondContact ND2-O 3.44Å; N153-L242 PolarHBondContact N-O 3.28Å | ||
| 154 | P | 63.7 | Low | 75.9 | Confident | 52 Ų | 52 | 41 Ų | 41 | 34% | 0.338 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.1 | -30.1 | -179.4 | -30.3 | 39.9 | 0 | 0 | 0 | 115.1 | M152 S156 A157 T158 D244 R246 | M152-P154 WeakPolarHBondContact O-CD 3.41Å; P154-S156 VanDerWaalsContact C-N 3.32Å; P154-A157 PolarHBondContact O-N 2.89Å; P154-T158 VanDerWaalsContact O-CB 3.28Å; P154-T158 WeakPolarHBondContact O-CB 3.19Å; P154-T158 PolarHBondContact O-N 3.21Å; P154-T158 PolarHBondContact O-OG1 2.92Å; P154-D244 WeakPolarHBondContact CD-OD2 3.28Å; P154-R246 VanDerWaalsContact CD-NH2 3.29Å; P154-R246 VanDerWaalsContact CG-NH2 3.28Å |
| 155 | E | 64.2 | Low | 74.1 | Confident | 153 Ų | 153 | 43.7 Ų | 43.7 | 72% | 0.715 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67.2 | -35.3 | 176.6 | -67 | -172.9 | 170.4 | 0 | 0 | 111.5 | N153 P159 | N153-E155 VanDerWaalsContact C-N 3.25Å; N153-E155 PolarHBondContact O-N 2.93Å; N153-E155 PolarHBondContact OD1-N 2.85Å; E155-P159 WeakPolarHBondContact O-CD 3.39Å; E155-P159 WeakPolarHBondContact O-CG 3.28Å |
| 156 | S | 60.6 | Low | 72.1 | Confident | 68 Ų | 68 | 50.7 Ų | 50.7 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -80.8 | -36.3 | 172.7 | -48.1 | 0 | 0 | 0 | 0 | 111.8 | N153 P154 F160 | N153-S156 PolarHBondContact O-N 3.2Å; P154-S156 VanDerWaalsContact C-N 3.32Å; S156-F160 WeakPolarHBondContact O-CB 3.45Å; S156-F160 PolarHBondContact O-N 3.2Å |
| 157 | A | 60.3 | Low | 70.2 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.7 | -28 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | M152 N153 P154 K161 | M152-A157 HydrophobicContact CB-CB 4.44Å; N153-A157 VanDerWaalsContact O-CB 3.32Å; N153-A157 WeakPolarHBondContact O-CB 3.37Å; N153-A157 PolarHBondContact O-N 3.47Å; P154-A157 PolarHBondContact O-N 2.89Å; A157-K161 VanDerWaalsContact O-CB 3.23Å; A157-K161 WeakPolarHBondContact O-CB 3.41Å; A157-K161 WeakPolarHBondContact O-CG 3.42Å; A157-K161 PolarHBondContact O-N 3.35Å |
| 158 | T | 60.7 | Low | 68.3 | Low | 84 Ų | 84 | 57.2 Ų | 57.2 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.3 | -49.5 | -178.3 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | P154 F160 K161 V162 | P154-T158 VanDerWaalsContact O-CB 3.28Å; P154-T158 WeakPolarHBondContact O-CB 3.19Å; P154-T158 PolarHBondContact O-N 3.21Å; P154-T158 PolarHBondContact O-OG1 2.92Å; T158-F160 VanDerWaalsContact C-N 3.29Å; T158-F160 PolarHBondContact O-N 2.74Å; T158-K161 PolarHBondContact O-N 2.94Å; T158-V162 WeakPolarHBondContact O-CG2 3.33Å; T158-V162 PolarHBondContact O-N 3.41Å |
| 159 | P | 59.8 | Low | 66.2 | Low | 83 Ų | 83 | 64.1 Ų | 64.1 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | 170.3 | -23.1 | 34.4 | 0 | 0 | 0 | 112.2 | E155 V162 F163 | E155-P159 WeakPolarHBondContact O-CD 3.39Å; E155-P159 WeakPolarHBondContact O-CG 3.28Å; P159-V162 PolarHBondContact O-N 3.39Å; P159-F163 WeakPolarHBondContact O-CB 3.17Å; P159-F163 PolarHBondContact O-N 3.38Å |
| 160 | F | 62.3 | Low | 64.1 | Low | 14 Ų | 14 | 70.3 Ų | 70.3 | 6% | 0.061 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.8 | -51.6 | 175.6 | -176.7 | -80.5 | 0 | 0 | 0 | 111.7 | S156 T158 V162 F163 V164 L177 L206 G211 M215 | S156-F160 WeakPolarHBondContact O-CB 3.45Å; S156-F160 PolarHBondContact O-N 3.2Å; T158-F160 VanDerWaalsContact C-N 3.29Å; T158-F160 PolarHBondContact O-N 2.74Å; F160-V162 PolarHBondContact O-N 3.36Å; F160-F163 WeakPolarHBondContact O-CB 3.07Å; F160-F163 PolarHBondContact O-N 3.46Å; F160-V164 HydrophobicContact CD1-CG2 3.86Å; F160-V164 HydrophobicContact CE1-CG2 3.4Å; F160-V164 VanDerWaalsContact CE1-CG2 3.4Å; F160-V164 HydrophobicContact CZ-CG2 3.84Å; F160-V164 WeakPolarHBondContact O-CG2 3.29Å; F160-V164 PolarHBondContact O-N 3.44Å; F160-L177 HydrophobicContact CD2-CD1 3.17Å; F160-L177 HydrophobicContact CD2-CD2 4.34Å; F160-L177 HydrophobicContact CD2-CG 4.32Å; F160-L177 HydrophobicContact CE2-CD1 2.96Å; F160-L177 HydrophobicContact CE2-CG 4.39Å; F160-L177 HydrophobicContact CG-CD1 4.3Å; F160-L177 HydrophobicContact CZ-CD1 3.96Å; F160-L206 HydrophobicContact CE2-CD2 4.21Å; F160-G211 VanDerWaalsContact CZ-CA 3.41Å; F160-M215 HydrophobicContact CD1-SD 3.51Å; F160-M215 VanDerWaalsContact CD1-SD 3.51Å; F160-M215 HydrophobicContact CE1-CG 4.19Å; F160-M215 HydrophobicContact CE1-SD 3.37Å; F160-M215 WeakPolarHBondContact CE1-SD 3.44Å |
| 161 | K | 62.9 | Low | 62.4 | Low | 113 Ų | 113 | 77.9 Ų | 77.9 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 179.4 | -79.1 | 172.8 | 178.8 | -177.5 | 0 | 112.2 | A157 T158 F163 V164 A165 M215 | A157-K161 VanDerWaalsContact O-CB 3.23Å; A157-K161 WeakPolarHBondContact O-CB 3.41Å; A157-K161 WeakPolarHBondContact O-CG 3.42Å; A157-K161 PolarHBondContact O-N 3.35Å; T158-K161 PolarHBondContact O-N 2.94Å; K161-F163 VanDerWaalsContact C-N 3.34Å; K161-V164 PolarHBondContact O-N 3.44Å; K161-A165 VanDerWaalsContact O-CB 3.3Å; K161-A165 WeakPolarHBondContact O-CB 3.46Å; K161-A165 PolarHBondContact O-N 2.86Å; K161-M215 HydrophobicContact CD-CE 4.27Å; K161-M215 VanDerWaalsContact CE-CE 3.46Å; K161-M215 HydrophobicContact CG-CE 3.84Å; K161-M215 HydrophobicContact CG-SD 4.12Å |
| 162 | V | 61.1 | Low | 61.4 | Low | 75 Ų | 75 | 79.6 Ų | 79.6 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | T158 P159 F160 K166 | T158-V162 WeakPolarHBondContact O-CG2 3.33Å; T158-V162 PolarHBondContact O-N 3.41Å; P159-V162 PolarHBondContact O-N 3.39Å; F160-V162 PolarHBondContact O-N 3.36Å; V162-K166 HydrophobicContact CG1-CD 4.42Å; V162-K166 WeakPolarHBondContact O-CG 3.46Å; V162-K166 PolarHBondContact O-N 3Å; V162-K166 VanDerWaalsContact O-N 3.08Å |
| 163 | F | 62.6 | Low | 60.9 | Low | 75 Ų | 75 | 81.8 Ų | 81.8 | 33% | 0.329 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.4 | -46.2 | 176.6 | -172.3 | -102 | 0 | 0 | 0 | 112 | P159 F160 K161 A165 K166 L167 L175 L177 V208 | P159-F163 WeakPolarHBondContact O-CB 3.17Å; P159-F163 PolarHBondContact O-N 3.38Å; F160-F163 WeakPolarHBondContact O-CB 3.07Å; F160-F163 PolarHBondContact O-N 3.46Å; K161-F163 VanDerWaalsContact C-N 3.34Å; F163-A165 PolarHBondContact O-N 3.39Å; F163-K166 PolarHBondContact O-N 3.39Å; F163-L167 WeakPolarHBondContact O-CB 3.48Å; F163-L167 PolarHBondContact O-N 3.44Å; F163-L175 HydrophobicContact CE1-CB 4.15Å; F163-L175 HydrophobicContact CE1-CD1 4.21Å; F163-L175 HydrophobicContact CZ-CB 4.2Å; F163-L175 HydrophobicContact CZ-CD1 3.71Å; F163-L177 HydrophobicContact CB-CD2 4.21Å; F163-L177 HydrophobicContact CD1-CD2 3.51Å; F163-L177 HydrophobicContact CD1-CG 4.19Å; F163-L177 HydrophobicContact CE1-CD2 3.98Å; F163-L177 HydrophobicContact CE1-CG 4.32Å; F163-L177 HydrophobicContact CG-CD2 3.93Å; F163-V208 HydrophobicContact CD1-CG2 3.81Å; F163-V208 HydrophobicContact CE1-CG2 3.5Å; F163-V208 VanDerWaalsContact CE1-CG2 3.5Å |
| 164 | V | 62.9 | Low | 60.7 | Low | 17 Ų | 17 | 85.1 Ų | 85.1 | 10% | 0.103 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | F160 K161 K166 L167 L168 V208 I212 | F160-V164 HydrophobicContact CD1-CG2 3.86Å; F160-V164 HydrophobicContact CE1-CG2 3.4Å; F160-V164 VanDerWaalsContact CE1-CG2 3.4Å; F160-V164 HydrophobicContact CZ-CG2 3.84Å; F160-V164 WeakPolarHBondContact O-CG2 3.29Å; F160-V164 PolarHBondContact O-N 3.44Å; K161-V164 PolarHBondContact O-N 3.44Å; V164-K166 VanDerWaalsContact C-N 3.3Å; V164-K166 PolarHBondContact O-N 2.87Å; V164-L167 CarbonylContact O-C 3.57Å; V164-L167 WeakPolarHBondContact O-CB 3.32Å; V164-L167 PolarHBondContact O-N 3.18Å; V164-L168 HydrophobicContact CG1-CD1 3.94Å; V164-L168 HydrophobicContact CG1-CG 4.21Å; V164-L168 WeakPolarHBondContact O-CG 3.44Å; V164-L168 PolarHBondContact O-N 3.13Å; V164-V208 HydrophobicContact CG2-CG1 3.76Å; V164-I212 HydrophobicContact CG1-CD1 4.19Å; V164-I212 HydrophobicContact CG1-CG1 4.21Å; V164-I212 HydrophobicContact CG2-CG1 4.34Å |
| 165 | A | 60.8 | Low | 61.2 | Low | 57 Ų | 57 | 85.8 Ų | 85.8 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K161 F163 L167 N169 | K161-A165 VanDerWaalsContact O-CB 3.3Å; K161-A165 WeakPolarHBondContact O-CB 3.46Å; K161-A165 PolarHBondContact O-N 2.86Å; F163-A165 PolarHBondContact O-N 3.39Å; A165-L167 VanDerWaalsContact C-N 3.33Å; A165-N169 PolarHBondContact O-N 3.49Å |
| 166 | K | 57.6 | Low | 61.5 | Low | 147 Ų | 147 | 81.1 Ų | 81.1 | 64% | 0.639 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67.6 | -32.9 | 173.8 | -73.3 | 177.7 | 179 | -178 | 0 | 112.6 | V162 F163 V164 N169 H170 | V162-K166 HydrophobicContact CG1-CD 4.42Å; V162-K166 WeakPolarHBondContact O-CG 3.46Å; V162-K166 PolarHBondContact O-N 3Å; V162-K166 VanDerWaalsContact O-N 3.08Å; F163-K166 PolarHBondContact O-N 3.39Å; V164-K166 VanDerWaalsContact C-N 3.3Å; V164-K166 PolarHBondContact O-N 2.87Å; K166-N169 WeakPolarHBondContact O-CB 3.39Å; K166-N169 PolarHBondContact O-N 3.49Å; K166-H170 PolarHBondContact O-N 3.49Å |
| 167 | L | 59.1 | Low | 61.7 | Low | 18 Ų | 18 | 79.2 Ų | 79.2 | 9% | 0.094 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -76.3 | -35.1 | 178.1 | -167 | 66.9 | 0 | 0 | 0 | 113.5 | F163 V164 A165 N169 H170 M171 L172 L175 V208 | F163-L167 WeakPolarHBondContact O-CB 3.48Å; F163-L167 PolarHBondContact O-N 3.44Å; V164-L167 CarbonylContact O-C 3.57Å; V164-L167 WeakPolarHBondContact O-CB 3.32Å; V164-L167 PolarHBondContact O-N 3.18Å; A165-L167 VanDerWaalsContact C-N 3.33Å; L167-N169 PolarHBondContact O-N 3.48Å; L167-H170 WeakPolarHBondContact CD1-O 3.37Å; L167-H170 CarbonylContact O-C 3.59Å; L167-H170 WeakPolarHBondContact O-CA 3.46Å; L167-H170 PolarHBondContact O-N 3.36Å; L167-M171 PolarHBondContact O-N 3.1Å; L167-L172 HydrophobicContact CD1-CB 3.66Å; L167-L172 WeakPolarHBondContact CD1-O 3.32Å; L167-L172 WeakPolarHBondContact CD2-O 3.49Å; L167-L175 HydrophobicContact CD1-CD1 3.3Å; L167-L175 HydrophobicContact CD1-CG 4.08Å; L167-V208 HydrophobicContact CD2-CB 3.86Å; L167-V208 HydrophobicContact CD2-CG1 3.47Å; L167-V208 VanDerWaalsContact CD2-CG1 3.47Å; L167-V208 HydrophobicContact CD2-CG2 3.96Å |
| 168 | L | 57.4 | Low | 61.9 | Low | 118 Ų | 118 | 81.1 Ų | 81.1 | 62% | 0.618 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64 | -26.1 | 172.7 | -70.5 | 171.3 | 0 | 0 | 0 | 111 | V164 H170 | V164-L168 HydrophobicContact CG1-CD1 3.94Å; V164-L168 HydrophobicContact CG1-CG 4.21Å; V164-L168 WeakPolarHBondContact O-CG 3.44Å; V164-L168 PolarHBondContact O-N 3.13Å; L168-H170 VanDerWaalsContact C-N 3.28Å |
| 169 | N | 54.1 | Low | 62.2 | Low | 146 Ų | 146 | 80.6 Ų | 80.6 | 78% | 0.781 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.4 | 166.6 | -93 | -5.2 | 0 | 0 | 0 | 114.3 | A165 K166 L167 | A165-N169 PolarHBondContact O-N 3.49Å; K166-N169 WeakPolarHBondContact O-CB 3.39Å; K166-N169 PolarHBondContact O-N 3.49Å; L167-N169 PolarHBondContact O-N 3.48Å |
| 170 | H | 52.3 | Low | 62.6 | Low | 138 Ų | 138 | 80.5 Ų | 80.5 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.7 | 84.8 | -176.8 | -118.9 | 55.3 | 0 | 0 | 0 | 110.5 | K166 L167 L168 L172 | K166-H170 PolarHBondContact O-N 3.49Å; L167-H170 WeakPolarHBondContact CD1-O 3.37Å; L167-H170 CarbonylContact O-C 3.59Å; L167-H170 WeakPolarHBondContact O-CA 3.46Å; L167-H170 PolarHBondContact O-N 3.36Å; L168-H170 VanDerWaalsContact C-N 3.28Å; H170-L172 VanDerWaalsContact C-N 3.35Å; H170-L172 PolarHBondContact O-N 2.68Å |
| 171 | M | 58.8 | Low | 63.2 | Low | 159 Ų | 159 | 84.4 Ų | 84.4 | 78% | 0.783 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.5 | 73.9 | -171.4 | -59.2 | -109.4 | 85.6 | 0 | 0 | 116.6 | L167 | L167-M171 PolarHBondContact O-N 3.1Š|
| 172 | L | 64 | Low | 64 | Low | 85 Ų | 85 | 80 Ų | 80 | 45% | 0.445 | 45% | 0.447 | S | S | . | . | trans | -132.8 | 72.6 | -176.8 | -65.3 | 169.4 | 0 | 0 | 0 | 112.4 | L167 H170 S174 L175 | L167-L172 HydrophobicContact CD1-CB 3.66Å; L167-L172 WeakPolarHBondContact CD1-O 3.32Å; L167-L172 WeakPolarHBondContact CD2-O 3.49Å; H170-L172 VanDerWaalsContact C-N 3.35Å; H170-L172 PolarHBondContact O-N 2.68Å; L172-S174 PolarHBondContact O-N 3.19Å; L172-S174 VanDerWaalsContact O-N 3.1Å; L172-L175 HydrophobicContact CB-CD1 4.38Å; L172-L175 HydrophobicContact CB-CG 4.2Å; L172-L175 PolarHBondContact O-N 3Å | ||
| 173 | P | 62.6 | Low | 65 | Low | 90 Ų | 90 | 81.6 Ų | 81.6 | 58% | 0.584 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -14.4 | -174.3 | 26.3 | -35 | 0 | 0 | 0 | 115.3 | ||
| 174 | S | 66.9 | Low | 66 | Low | 88 Ų | 88 | 81.9 Ų | 81.9 | 62% | 0.615 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0.9 | -178.8 | 59.9 | 0 | 0 | 0 | 0 | 114.8 | L172 | L172-S174 PolarHBondContact O-N 3.19Å; L172-S174 VanDerWaalsContact O-N 3.1Å |
| 175 | L | 74.1 | Confident | 67.1 | Low | 67 Ų | 67 | 82 Ų | 82 | 35% | 0.351 | 45% | 0.448 | S | S | . | . | trans | -66.3 | 147.9 | 175.9 | -70.3 | -175.5 | 0 | 0 | 0 | 111.7 | F163 L167 L172 V208 | F163-L175 HydrophobicContact CE1-CB 4.15Å; F163-L175 HydrophobicContact CE1-CD1 4.21Å; F163-L175 HydrophobicContact CZ-CB 4.2Å; F163-L175 HydrophobicContact CZ-CD1 3.71Å; L167-L175 HydrophobicContact CD1-CD1 3.3Å; L167-L175 HydrophobicContact CD1-CG 4.08Å; L172-L175 HydrophobicContact CB-CD1 4.38Å; L172-L175 HydrophobicContact CB-CG 4.2Å; L172-L175 PolarHBondContact O-N 3Å; L175-V208 HydrophobicContact CB-CG2 4.2Å; L175-V208 WeakPolarHBondContact O-CG2 3.48Å; L175-V208 PolarHBondContact O-N 3.25Å | ||
| 176 | T | 70.3 | Confident | 68.7 | Low | 55 Ų | 55 | 79.5 Ų | 79.5 | 34% | 0.337 | 43% | 0.427 | S | S | . | . | B | Isolated β-bridge | trans | -116.2 | 141.4 | -179.7 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | R205 L206 R207 | T176-R205 VanDerWaalsContact CB-CB 3.5Å; T176-R205 HydrophobicContact CG2-CB 4.15Å; T176-L206 CarbonylContact C-O 3.53Å; T176-L206 WeakPolarHBondContact CA-O 3.33Å; T176-R207 HydrophobicContact CG2-CG 4.15Å |
| 177 | L | 65.1 | Low | 70.5 | Confident | 27 Ų | 27 | 75.9 Ų | 75.9 | 14% | 0.141 | 41% | 0.409 | C | S | . | . | trans | -91.9 | -169 | 177.1 | -70.8 | 150.5 | 0 | 0 | 0 | 111.1 | F160 F163 R205 L206 V208 | F160-L177 HydrophobicContact CD2-CD1 3.17Å; F160-L177 HydrophobicContact CD2-CD2 4.34Å; F160-L177 HydrophobicContact CD2-CG 4.32Å; F160-L177 HydrophobicContact CE2-CD1 2.96Å; F160-L177 HydrophobicContact CE2-CG 4.39Å; F160-L177 HydrophobicContact CG-CD1 4.3Å; F160-L177 HydrophobicContact CZ-CD1 3.96Å; F163-L177 HydrophobicContact CB-CD2 4.21Å; F163-L177 HydrophobicContact CD1-CD2 3.51Å; F163-L177 HydrophobicContact CD1-CG 4.19Å; F163-L177 HydrophobicContact CE1-CD2 3.98Å; F163-L177 HydrophobicContact CE1-CG 4.32Å; F163-L177 HydrophobicContact CG-CD2 3.93Å; L177-R205 VanDerWaalsContact O-CB 3.29Å; L177-R205 WeakPolarHBondContact O-CB 3.48Å; L177-R205 PolarHBondContact O-NE 3.46Å; L177-R205 PolarHBondContact O-NH2 3.27Å; L177-L206 HydrophobicContact CB-CB 4.43Å; L177-L206 PolarHBondContact N-O 3.06Å; L177-V208 HydrophobicContact CD1-CG2 3.89Å; L177-V208 HydrophobicContact CG-CG2 4.05Å | ||
| 178 | G | 64.6 | Low | 72.2 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 49% | 0.485 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 163.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L206 | G178-L206 PolarHBondContact O-N 2.79Š|
| 179 | S | 65.9 | Low | 74 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 52% | 0.517 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 155.9 | 163.5 | 49 | 0 | 0 | 0 | 0 | 109.7 | ||
| 180 | I | 69.8 | Low | 76 | Confident | 80 Ų | 80 | 75.5 Ų | 75.5 | 41% | 0.41 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 129.2 | 164.8 | -63.5 | 174.1 | 0 | 0 | 0 | 106.2 | S182 V185 L242 | I180-S182 PolarHBondContact O-N 3.43Å; I180-V185 HydrophobicContact CG2-CG2 4.25Å; I180-L242 HydrophobicContact CG2-CD1 3.89Å; I180-L242 HydrophobicContact CG2-CD2 4.06Å |
| 181 | E | 74.6 | Confident | 78 | Confident | 96 Ų | 96 | 72.1 Ų | 72.1 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 118.8 | 170.9 | -45.7 | 174.7 | -116.5 | 0 | 0 | 107.9 | K183 W184 | E181-K183 HydrophobicContact CB-CD 4.45Å; E181-K183 HydrophobicContact CB-CG 4.11Å; E181-K183 PolarHBondContact O-N 3.19Å; E181-K183 VanDerWaalsContact O-N 3.12Å; E181-K183 WeakPolarHBondContact OE2-CE 3.39Å; E181-K183 IonicContact OE2-NZ 3.2Å; E181-K183 PolarHBondContact OE2-NZ 2.95Å; E181-W184 WeakPolarHBondContact O-CB 3.48Å; E181-W184 PolarHBondContact O-N 3.49Å; E181-W184 PolarHBondContact OE1-NE1 3.32Å |
| 182 | S | 79.8 | Confident | 79.7 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -54.1 | -31.5 | -177 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | I180 W184 V185 D196 | I180-S182 PolarHBondContact O-N 3.43Å; S182-W184 PolarHBondContact O-N 2.92Å; S182-V185 WeakPolarHBondContact O-CB 3.38Å; S182-V185 WeakPolarHBondContact O-CG2 3.24Å; S182-V185 PolarHBondContact O-N 2.77Å; S182-D196 WeakPolarHBondContact CB-OD1 3.37Å; S182-D196 VanDerWaalsContact OG-CG 3.31Å; S182-D196 PolarHBondContact OG-OD1 2.91Å; S182-D196 PolarHBondContact OG-OD2 2.92Å |
| 183 | K | 80.9 | Confident | 81.2 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 47% | 0.474 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -57.7 | -18.1 | 173.6 | 79.6 | -170.9 | -167.4 | -159.5 | 0 | 115.3 | E181 Y269 | E181-K183 HydrophobicContact CB-CD 4.45Å; E181-K183 HydrophobicContact CB-CG 4.11Å; E181-K183 PolarHBondContact O-N 3.19Å; E181-K183 VanDerWaalsContact O-N 3.12Å; E181-K183 WeakPolarHBondContact OE2-CE 3.39Å; E181-K183 IonicContact OE2-NZ 3.2Å; E181-K183 PolarHBondContact OE2-NZ 2.95Å; K183-Y269 WeakPolarHBondContact O-CE2 3.39Å |
| 184 | W | 83.7 | Confident | 82.7 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 31% | 0.307 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -87.8 | -11.3 | 175.5 | -60.5 | 123 | 0 | 0 | 0 | 112.6 | E181 S182 K241 | E181-W184 WeakPolarHBondContact O-CB 3.48Å; E181-W184 PolarHBondContact O-N 3.49Å; E181-W184 PolarHBondContact OE1-NE1 3.32Å; S182-W184 PolarHBondContact O-N 2.92Å; W184-K241 HydrophobicContact CB-CB 4.39Å; W184-K241 HydrophobicContact CD2-CB 4.33Å; W184-K241 HydrophobicContact CD2-CG 4.18Å; W184-K241 HydrophobicContact CE3-CB 4.17Å; W184-K241 HydrophobicContact CE3-CG 3.55Å; W184-K241 HydrophobicContact CG-CB 4.44Å; W184-K241 HydrophobicContact CZ3-CG 3.89Å |
| 185 | V | 86.5 | Confident | 83.9 | Confident | 20 Ų | 20 | 63.6 Ų | 63.6 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -44.6 | -176.5 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | I180 S182 L242 H270 A271 | I180-V185 HydrophobicContact CG2-CG2 4.25Å; S182-V185 WeakPolarHBondContact O-CB 3.38Å; S182-V185 WeakPolarHBondContact O-CG2 3.24Å; S182-V185 PolarHBondContact O-N 2.77Å; V185-L242 HydrophobicContact CG2-CD1 4.2Å; V185-H270 PolarHBondContact O-N 2.79Å; V185-A271 HydrophobicContact CG1-CB 3.5Å; V185-A271 PolarHBondContact O-N 3.36Å |
| 186 | S | 93.8 | Very high | 84.9 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | trans | -142.2 | 154.2 | -177.8 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | D188 H274 D275 | S186-D188 PolarHBondContact OG-N 3.13Å; S186-H274 VanDerWaalsContact CB-O 3.3Å; S186-H274 WeakPolarHBondContact CB-O 3.21Å; S186-H274 PolarHBondContact OG-O 3.41Å; S186-D275 WeakPolarHBondContact OG-CA 3.2Å | ||
| 187 | R | 95.5 | Very high | 86.1 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -85.7 | -19.1 | 167.4 | -63.1 | 171.7 | -69.4 | 175.1 | -3.4 | 112.5 | E189 G267 Y269 D275 L276 | R187-E189 PolarHBondContact O-N 2.8Å; R187-G267 WeakPolarHBondContact CD-O 3.43Å; R187-G267 PolarHBondContact NE-O 2.69Å; R187-G267 PolarHBondContact NH1-O 3.13Å; R187-G267 VanDerWaalsContact NH1-O 3.09Å; R187-Y269 HydrophobicContact CG-CD1 3.51Å; R187-Y269 HydrophobicContact CG-CD2 3.67Å; R187-Y269 HydrophobicContact CG-CE1 3.53Å; R187-Y269 HydrophobicContact CG-CE2 3.67Å; R187-Y269 HydrophobicContact CG-CG 3.59Å; R187-D275 WeakPolarHBondContact CB-OD1 3.11Å; R187-D275 IonicContact CZ-OD1 3.87Å; R187-D275 IonicContact CZ-OD2 3.45Å; R187-D275 PolarHBondContact N-OD1 3.23Å; R187-D275 IonicContact NE-OD1 2.64Å; R187-D275 PolarHBondContact NE-OD1 2.72Å; R187-D275 IonicContact NE-OD2 2.82Å; R187-D275 PolarHBondContact NE-OD2 3.45Å; R187-D275 IonicContact NH2-OD1 3.94Å; R187-D275 PolarHBondContact NH2-OD1 3.35Å; R187-D275 IonicContact NH2-OD2 3.61Å; R187-D275 PolarHBondContact NH2-OD2 2.97Å; R187-L276 HydrophobicContact CB-CD2 3.92Å; R187-L276 HydrophobicContact CB-CG 4.01Å |
| 188 | D | 95.9 | Very high | 87.6 | Confident | 25 Ų | 25 | 67.2 Ų | 67.2 | 13% | 0.134 | 36% | 0.356 | C | S | . | . | trans | -79 | 109.2 | 177 | -172 | -22 | 0 | 0 | 0 | 109.4 | S186 T190 Q191 V192 L276 | S186-D188 PolarHBondContact OG-N 3.13Å; D188-T190 VanDerWaalsContact CG-OG1 3.24Å; D188-T190 PolarHBondContact O-N 2.74Å; D188-T190 WeakPolarHBondContact OD1-CB 3.4Å; D188-T190 PolarHBondContact OD1-N 2.92Å; D188-T190 PolarHBondContact OD1-OG1 2.83Å; D188-T190 PolarHBondContact OD2-OG1 3.23Å; D188-Q191 HydrophobicContact CB-CB 4.16Å; D188-Q191 HydrophobicContact CB-CG 3.89Å; D188-Q191 PolarHBondContact O-N 3.49Å; D188-V192 PolarHBondContact O-N 3.31Å; D188-V192 VanDerWaalsContact O-N 3.08Å; D188-L276 HydrophobicContact CB-CD2 4.45Å | ||
| 189 | E | 94.9 | Very high | 89.1 | Confident | 165 Ų | 165 | 73.8 Ų | 73.8 | 77% | 0.771 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.8 | -29.5 | -179.6 | -65.4 | -177.2 | 171 | 0 | 0 | 112.5 | R187 Q191 V192 E193 | R187-E189 PolarHBondContact O-N 2.8Å; E189-Q191 VanDerWaalsContact C-N 3.34Å; E189-V192 PolarHBondContact O-N 3.21Å; E189-E193 WeakPolarHBondContact O-CB 3.35Å; E189-E193 PolarHBondContact O-N 2.87Å |
| 190 | T | 95.8 | Very high | 90.6 | Very high | 85 Ų | 85 | 72 Ų | 72 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.2 | -35.1 | 177.9 | 69.1 | 0 | 0 | 0 | 0 | 111.8 | D188 A194 | D188-T190 VanDerWaalsContact CG-OG1 3.24Å; D188-T190 PolarHBondContact O-N 2.74Å; D188-T190 WeakPolarHBondContact OD1-CB 3.4Å; D188-T190 PolarHBondContact OD1-N 2.92Å; D188-T190 PolarHBondContact OD1-OG1 2.83Å; D188-T190 PolarHBondContact OD2-OG1 3.23Å; T190-A194 WeakPolarHBondContact O-CB 3.44Å; T190-A194 PolarHBondContact O-N 3.47Å |
| 191 | Q | 95.1 | Very high | 91.8 | Very high | 67 Ų | 67 | 68.8 Ų | 68.8 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -75.1 | -35.6 | 176.7 | -63 | -67.1 | -20.1 | 0 | 0 | 111.1 | D188 E189 A194 Y195 H274 | D188-Q191 HydrophobicContact CB-CB 4.16Å; D188-Q191 HydrophobicContact CB-CG 3.89Å; D188-Q191 PolarHBondContact O-N 3.49Å; E189-Q191 VanDerWaalsContact C-N 3.34Å; Q191-A194 PolarHBondContact O-N 2.84Å; Q191-Y195 WeakPolarHBondContact O-CB 3.42Å; Q191-Y195 PolarHBondContact O-N 3.43Å; Q191-H274 HydrophobicContact CB-CB 4.23Å; Q191-H274 WeakPolarHBondContact CB-O 3.47Å; Q191-H274 HydrophobicContact CG-CB 4.1Å; Q191-H274 VanDerWaalsContact CG-O 3.3Å; Q191-H274 WeakPolarHBondContact CG-O 3.31Å |
| 192 | V | 94.1 | Very high | 92.7 | Very high | 24 Ų | 24 | 67 Ų | 67 | 15% | 0.145 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 171.6 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | D188 E189 A194 Y195 D196 | D188-V192 PolarHBondContact O-N 3.31Å; D188-V192 VanDerWaalsContact O-N 3.08Å; E189-V192 PolarHBondContact O-N 3.21Å; V192-A194 PolarHBondContact O-N 2.84Å; V192-Y195 WeakPolarHBondContact O-CB 3.38Å; V192-Y195 PolarHBondContact O-N 3.34Å; V192-D196 PolarHBondContact O-N 3.26Å |
| 193 | E | 94.9 | Very high | 93.2 | Very high | 124 Ų | 124 | 70.5 Ų | 70.5 | 58% | 0.579 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.2 | -40.9 | 176.8 | -178.8 | 174.7 | -162.5 | 0 | 0 | 112 | E189 Y195 D196 N197 | E189-E193 WeakPolarHBondContact O-CB 3.35Å; E189-E193 PolarHBondContact O-N 2.87Å; E193-Y195 VanDerWaalsContact C-N 3.34Å; E193-Y195 PolarHBondContact O-N 3.21Å; E193-D196 PolarHBondContact O-N 3.02Å; E193-N197 VanDerWaalsContact CG-ND2 3.26Å; E193-N197 WeakPolarHBondContact CG-ND2 3.24Å; E193-N197 WeakPolarHBondContact O-CB 3.17Å; E193-N197 PolarHBondContact O-N 3.45Å; E193-N197 PolarHBondContact O-ND2 2.86Å; E193-N197 VanDerWaalsContact O-ND2 3.09Å |
| 194 | A | 94.4 | Very high | 93.5 | Very high | 55 Ų | 55 | 66.8 Ų | 66.8 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T190 Q191 V192 D198 | T190-A194 WeakPolarHBondContact O-CB 3.44Å; T190-A194 PolarHBondContact O-N 3.47Å; Q191-A194 PolarHBondContact O-N 2.84Å; V192-A194 PolarHBondContact O-N 2.84Å; A194-D198 WeakPolarHBondContact O-CB 3.22Å; A194-D198 PolarHBondContact O-N 2.96Å |
| 195 | Y | 93.3 | Very high | 93.5 | Very high | 39 Ų | 39 | 69.4 Ų | 69.4 | 15% | 0.153 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 175.6 | 177.9 | -87.5 | 0 | 0 | 0 | 111.9 | Q191 V192 E193 N197 D198 N201 H203 | Q191-Y195 WeakPolarHBondContact O-CB 3.42Å; Q191-Y195 PolarHBondContact O-N 3.43Å; V192-Y195 WeakPolarHBondContact O-CB 3.38Å; V192-Y195 PolarHBondContact O-N 3.34Å; E193-Y195 VanDerWaalsContact C-N 3.34Å; E193-Y195 PolarHBondContact O-N 3.21Å; Y195-N197 VanDerWaalsContact C-N 3.32Å; Y195-N197 PolarHBondContact O-N 3.38Å; Y195-D198 PolarHBondContact O-N 3.17Å; Y195-N201 WeakPolarHBondContact CD2-ND2 3.36Å; Y195-N201 WeakPolarHBondContact CE2-ND2 3.48Å; Y195-N201 PolarHBondContact O-ND2 3.45Å; Y195-H203 PolarHBondContact O-CE1 2.96Å; Y195-H203 VanDerWaalsContact O-CE1 3.22Å |
| 196 | D | 93.4 | Very high | 93.4 | Very high | 72 Ų | 72 | 70 Ų | 70 | 39% | 0.385 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.4 | -31.5 | -176.6 | -74.6 | -19.9 | 0 | 0 | 0 | 112.6 | S182 V192 E193 H203 | S182-D196 WeakPolarHBondContact CB-OD1 3.37Å; S182-D196 VanDerWaalsContact OG-CG 3.31Å; S182-D196 PolarHBondContact OG-OD1 2.91Å; S182-D196 PolarHBondContact OG-OD2 2.92Å; V192-D196 PolarHBondContact O-N 3.26Å; E193-D196 PolarHBondContact O-N 3.02Å; D196-H203 PolarHBondContact O-CE1 2.77Å; D196-H203 PolarHBondContact O-NE2 3.15Å |
| 197 | N | 95.6 | Very high | 93.1 | Very high | 112 Ų | 112 | 72.6 Ų | 72.6 | 60% | 0.599 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -89.1 | -8.3 | 179.3 | -71.2 | -41.2 | 0 | 0 | 0 | 114.3 | E193 Y195 E199 | E193-N197 VanDerWaalsContact CG-ND2 3.26Å; E193-N197 WeakPolarHBondContact CG-ND2 3.24Å; E193-N197 WeakPolarHBondContact O-CB 3.17Å; E193-N197 PolarHBondContact O-N 3.45Å; E193-N197 PolarHBondContact O-ND2 2.86Å; E193-N197 VanDerWaalsContact O-ND2 3.09Å; Y195-N197 VanDerWaalsContact C-N 3.32Å; Y195-N197 PolarHBondContact O-N 3.38Å; N197-E199 PolarHBondContact O-N 3.44Å |
| 198 | D | 96.6 | Very high | 92.5 | Very high | 41 Ų | 41 | 69.3 Ų | 69.3 | 22% | 0.219 | 35% | 0.347 | C | S | . | . | trans | -75 | 112 | 179.1 | -169.7 | -22.5 | 0 | 0 | 0 | 110.8 | H55 A194 Y195 L200 N201 H203 | H55-D198 IonicContact CD2-OD2 2.93Å; H55-D198 IonicContact CE1-OD2 2.75Å; H55-D198 IonicContact NE2-OD1 3.74Å; H55-D198 PolarHBondContact NE2-OD1 3.44Å; H55-D198 IonicContact NE2-OD2 3.91Å; H55-D198 PolarHBondContact NE2-OD2 3.46Å; A194-D198 WeakPolarHBondContact O-CB 3.22Å; A194-D198 PolarHBondContact O-N 2.96Å; Y195-D198 PolarHBondContact O-N 3.17Å; D198-L200 PolarHBondContact O-N 3.42Å; D198-L200 VanDerWaalsContact OD1-CB 3.31Å; D198-L200 WeakPolarHBondContact OD1-CB 3.29Å; D198-L200 PolarHBondContact OD1-N 3.4Å; D198-N201 HydrophobicContact CB-CB 4.3Å; D198-N201 WeakPolarHBondContact O-CB 3.36Å; D198-N201 PolarHBondContact O-N 3.43Å; D198-N201 VanDerWaalsContact O-N 3.14Å; D198-H203 PolarHBondContact O-NE2 3.21Å; D198-H203 VanDerWaalsContact O-NE2 3.07Å | ||
| 199 | E | 95.9 | Very high | 92 | Very high | 185 Ų | 185 | 69.4 Ų | 69.4 | 86% | 0.864 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -15.5 | -179.9 | -61.6 | -173.3 | 162.6 | 0 | 0 | 113.8 | N197 | N197-E199 PolarHBondContact O-N 3.44Š|
| 200 | L | 97.4 | Very high | 91.8 | Very high | 38 Ų | 38 | 61.5 Ų | 61.5 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -16.7 | 174.7 | -61.4 | -178.7 | 0 | 0 | 0 | 112.2 | Q13 H55 Q83 D198 | Q13-L200 VanDerWaalsContact CD-CD2 3.46Å; Q13-L200 HydrophobicContact CG-CD2 3.69Å; Q13-L200 VanDerWaalsContact NE2-CD2 3.27Å; H55-L200 VanDerWaalsContact CD2-CB 3.41Å; H55-L200 WeakPolarHBondContact CD2-CB 3.17Å; H55-L200 WeakPolarHBondContact NE2-CB 3.47Å; Q83-L200 HydrophobicContact CG-CD1 4.06Å; Q83-L200 HydrophobicContact CG-CD2 3.74Å; D198-L200 PolarHBondContact O-N 3.42Å; D198-L200 VanDerWaalsContact OD1-CB 3.31Å; D198-L200 WeakPolarHBondContact OD1-CB 3.29Å; D198-L200 PolarHBondContact OD1-N 3.4Å |
| 201 | N | 96 | Very high | 91.4 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -74 | 147.7 | 172.6 | -72 | -13.3 | 0 | 0 | 0 | 111.2 | G53 E54 H55 Y195 D198 H203 | G53-N201 CarbonylContact O-C 3.51Å; G53-N201 VanDerWaalsContact O-CA 3.29Å; G53-N201 WeakPolarHBondContact O-CA 3.37Å; E54-N201 WeakPolarHBondContact CA-OD1 3.43Å; H55-N201 PolarHBondContact CD2-OD1 3.4Å; Y195-N201 WeakPolarHBondContact CD2-ND2 3.36Å; Y195-N201 WeakPolarHBondContact CE2-ND2 3.48Å; Y195-N201 PolarHBondContact O-ND2 3.45Å; D198-N201 HydrophobicContact CB-CB 4.3Å; D198-N201 WeakPolarHBondContact O-CB 3.36Å; D198-N201 PolarHBondContact O-N 3.43Å; D198-N201 VanDerWaalsContact O-N 3.14Å; N201-H203 PolarHBondContact O-N 3.2Å |
| 202 | Y | 93.8 | Very high | 91 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 24% | 0.235 | 29% | 0.289 | C | S | . | . | trans | -90.1 | 104.5 | 174.2 | -178 | -100.3 | 0 | 0 | 0 | 110.8 | G53 R88 M89 G204 R205 | G53-Y202 PolarHBondContact O-N 2.75Å; R88-Y202 HydrophobicContact CB-CD2 3.76Å; R88-Y202 HydrophobicContact CB-CE2 3.75Å; R88-Y202 HydrophobicContact CG-CD2 4.43Å; M89-Y202 HydrophobicContact CB-CD1 3.82Å; M89-Y202 HydrophobicContact CB-CD2 4.49Å; M89-Y202 HydrophobicContact CB-CE1 3.84Å; M89-Y202 HydrophobicContact CB-CG 4.12Å; M89-Y202 HydrophobicContact CE-CD1 4.43Å; M89-Y202 HydrophobicContact CG-CD1 3.41Å; M89-Y202 VanDerWaalsContact CG-CD1 3.41Å; M89-Y202 HydrophobicContact CG-CD2 4.27Å; M89-Y202 HydrophobicContact CG-CE1 3.98Å; M89-Y202 HydrophobicContact CG-CG 3.54Å; Y202-G204 VanDerWaalsContact C-N 3.31Å; Y202-G204 WeakPolarHBondContact CE1-O 3.34Å; Y202-G204 VanDerWaalsContact CZ-CA 3.41Å; Y202-R205 PolarHBondContact OH-O 2.89Å | ||
| 203 | H | 90.5 | Very high | 91 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 43% | 0.431 | 29% | 0.29 | S | S | . | . | trans | -89.1 | 5.2 | 177.1 | -60.8 | -61.1 | 0 | 0 | 0 | 114.1 | Y195 D196 D198 N201 | Y195-H203 PolarHBondContact O-CE1 2.96Å; Y195-H203 VanDerWaalsContact O-CE1 3.22Å; D196-H203 PolarHBondContact O-CE1 2.77Å; D196-H203 PolarHBondContact O-NE2 3.15Å; D198-H203 PolarHBondContact O-NE2 3.21Å; D198-H203 VanDerWaalsContact O-NE2 3.07Å; N201-H203 PolarHBondContact O-N 3.2Å | ||
| 204 | G | 87 | Confident | 90.9 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -79.2 | 178.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y202 | Y202-G204 VanDerWaalsContact C-N 3.31Å; Y202-G204 WeakPolarHBondContact CE1-O 3.34Å; Y202-G204 VanDerWaalsContact CZ-CA 3.41Å |
| 205 | R | 84 | Confident | 90.7 | Very high | 137 Ų | 137 | 51.4 Ų | 51.4 | 52% | 0.517 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 140.9 | -178.9 | -67.1 | -179 | 73.9 | 142.7 | 5.8 | 111.2 | T176 L177 Y202 R207 | T176-R205 VanDerWaalsContact CB-CB 3.5Å; T176-R205 HydrophobicContact CG2-CB 4.15Å; L177-R205 VanDerWaalsContact O-CB 3.29Å; L177-R205 WeakPolarHBondContact O-CB 3.48Å; L177-R205 PolarHBondContact O-NE 3.46Å; L177-R205 PolarHBondContact O-NH2 3.27Å; Y202-R205 PolarHBondContact OH-O 2.89Å; R205-R207 PolarHBondContact O-N 3.22Å |
| 206 | L | 83.5 | Confident | 90.7 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 119.7 | -179.7 | -171.7 | 74.4 | 0 | 0 | 0 | 110.9 | M89 F160 T176 L177 G178 F210 | M89-L206 HydrophobicContact CE-CD1 3.8Å; F160-L206 HydrophobicContact CE2-CD2 4.21Å; T176-L206 CarbonylContact C-O 3.53Å; T176-L206 WeakPolarHBondContact CA-O 3.33Å; L177-L206 HydrophobicContact CB-CB 4.43Å; L177-L206 PolarHBondContact N-O 3.06Å; G178-L206 PolarHBondContact O-N 2.79Å; L206-F210 HydrophobicContact CD1-CD1 3.58Å; L206-F210 HydrophobicContact CD1-CE1 4.17Å |
| 207 | R | 86.7 | Confident | 90.8 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 22% | 0.223 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -70 | 143.2 | 175.5 | -69.2 | 176.2 | 174.4 | -151.4 | 7.7 | 111.2 | E87 T176 R205 S209 F210 G211 | E87-R207 IonicContact OE1-CZ 3.76Å; E87-R207 IonicContact OE1-NH1 3.38Å; E87-R207 PolarHBondContact OE1-NH1 2.95Å; E87-R207 IonicContact OE1-NH2 3.76Å; E87-R207 PolarHBondContact OE1-NH2 3.28Å; E87-R207 IonicContact OE2-NH1 2.87Å; E87-R207 PolarHBondContact OE2-NH1 3.41Å; E87-R207 VanDerWaalsContact OE2-NH1 3.11Å; T176-R207 HydrophobicContact CG2-CG 4.15Å; R205-R207 PolarHBondContact O-N 3.22Å; R207-S209 VanDerWaalsContact C-N 3.33Å; R207-S209 PolarHBondContact O-N 3.11Å; R207-F210 HydrophobicContact CB-CB 4.3Å; R207-F210 PolarHBondContact O-N 3.07Å; R207-G211 PolarHBondContact O-N 2.71Å |
| 208 | V | 83.3 | Confident | 90.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 177.8 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | F163 V164 L167 L175 L177 F210 G211 I212 | F163-V208 HydrophobicContact CD1-CG2 3.81Å; F163-V208 HydrophobicContact CE1-CG2 3.5Å; F163-V208 VanDerWaalsContact CE1-CG2 3.5Å; V164-V208 HydrophobicContact CG2-CG1 3.76Å; L167-V208 HydrophobicContact CD2-CB 3.86Å; L167-V208 HydrophobicContact CD2-CG1 3.47Å; L167-V208 VanDerWaalsContact CD2-CG1 3.47Å; L167-V208 HydrophobicContact CD2-CG2 3.96Å; L175-V208 HydrophobicContact CB-CG2 4.2Å; L175-V208 WeakPolarHBondContact O-CG2 3.48Å; L175-V208 PolarHBondContact O-N 3.25Å; L177-V208 HydrophobicContact CD1-CG2 3.89Å; L177-V208 HydrophobicContact CG-CG2 4.05Å; V208-F210 PolarHBondContact O-N 3.41Å; V208-G211 PolarHBondContact O-N 2.71Å; V208-I212 HydrophobicContact CG1-CD1 3.92Å; V208-I212 HydrophobicContact CG1-CG1 4.29Å; V208-I212 WeakPolarHBondContact O-CG1 3.19Å; V208-I212 PolarHBondContact O-N 3.41Å |
| 209 | S | 85.6 | Confident | 90.7 | Very high | 27 Ų | 27 | 46 Ų | 46 | 19% | 0.189 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53 | -43.4 | 176 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | N90 R207 I212 Q213 | N90-S209 PolarHBondContact OD1-OG 2.85Å; R207-S209 VanDerWaalsContact C-N 3.33Å; R207-S209 PolarHBondContact O-N 3.11Å; S209-I212 PolarHBondContact O-N 3.29Å; S209-Q213 WeakPolarHBondContact O-CG 3.35Å; S209-Q213 PolarHBondContact O-N 2.82Å |
| 210 | F | 90.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.3 | -43.5 | 179.6 | -171.4 | -111.3 | 0 | 0 | 0 | 112.1 | A52 M89 I91 Y97 M124 L206 R207 V208 I212 Q213 L214 | A52-F210 HydrophobicContact CB-CE1 4.16Å; A52-F210 HydrophobicContact CB-CZ 4.45Å; M89-F210 HydrophobicContact CE-CD1 3.93Å; M89-F210 HydrophobicContact CE-CE1 3.52Å; M89-F210 HydrophobicContact CE-CZ 4.4Å; M89-F210 WeakPolarHBondContact O-CB 3.45Å; M89-F210 VanDerWaalsContact O-CG 3.24Å; M89-F210 WeakPolarHBondContact O-CG 3.48Å; M89-F210 HydrophobicContact SD-CD1 4.31Å; M89-F210 HydrophobicContact SD-CE1 3.66Å; M89-F210 HydrophobicContact SD-CZ 3.96Å; I91-F210 HydrophobicContact CG2-CD2 4.01Å; I91-F210 HydrophobicContact CG2-CE2 4.04Å; Y97-F210 HydrophobicContact CE2-CE2 4.11Å; Y97-F210 WeakPolarHBondContact OH-CE2 3.38Å; M124-F210 HydrophobicContact SD-CE1 4.44Å; M124-F210 HydrophobicContact SD-CE2 4.49Å; M124-F210 HydrophobicContact SD-CZ 3.63Å; L206-F210 HydrophobicContact CD1-CD1 3.58Å; L206-F210 HydrophobicContact CD1-CE1 4.17Å; R207-F210 HydrophobicContact CB-CB 4.3Å; R207-F210 PolarHBondContact O-N 3.07Å; V208-F210 PolarHBondContact O-N 3.41Å; F210-I212 VanDerWaalsContact C-N 3.27Å; F210-I212 PolarHBondContact O-N 2.87Å; F210-Q213 WeakPolarHBondContact O-CA 3.39Å; F210-Q213 WeakPolarHBondContact O-CB 2.92Å; F210-Q213 PolarHBondContact O-N 3.23Å; F210-L214 HydrophobicContact CD1-CD1 4.18Å; F210-L214 HydrophobicContact CD1-CG 4.31Å; F210-L214 HydrophobicContact CE1-CD1 3.96Å; F210-L214 HydrophobicContact CE1-CD2 3.99Å; F210-L214 HydrophobicContact CE1-CG 4.09Å; F210-L214 HydrophobicContact CZ-CD2 4.02Å; F210-L214 PolarHBondContact O-N 3Å |
| 211 | G | 87.9 | Confident | 90.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -30.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F160 R207 V208 Q213 L214 M215 | F160-G211 VanDerWaalsContact CZ-CA 3.41Å; R207-G211 PolarHBondContact O-N 2.71Å; V208-G211 PolarHBondContact O-N 2.71Å; G211-Q213 VanDerWaalsContact C-N 3.3Å; G211-Q213 PolarHBondContact O-N 3.07Å; G211-L214 PolarHBondContact O-N 3.34Å; G211-M215 PolarHBondContact O-N 2.87Å |
| 212 | I | 87.5 | Confident | 90.8 | Very high | 64 Ų | 64 | 41.8 Ų | 41.8 | 33% | 0.328 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61 | -41.2 | 169.8 | -71.2 | 167.8 | 0 | 0 | 0 | 110.5 | V164 V208 S209 F210 M215 A216 | V164-I212 HydrophobicContact CG1-CD1 4.19Å; V164-I212 HydrophobicContact CG1-CG1 4.21Å; V164-I212 HydrophobicContact CG2-CG1 4.34Å; V208-I212 HydrophobicContact CG1-CD1 3.92Å; V208-I212 HydrophobicContact CG1-CG1 4.29Å; V208-I212 WeakPolarHBondContact O-CG1 3.19Å; V208-I212 PolarHBondContact O-N 3.41Å; S209-I212 PolarHBondContact O-N 3.29Å; F210-I212 VanDerWaalsContact C-N 3.27Å; F210-I212 PolarHBondContact O-N 2.87Å; I212-M215 PolarHBondContact O-N 3.19Å; I212-A216 WeakPolarHBondContact O-CB 3.34Å; I212-A216 PolarHBondContact O-N 2.74Å |
| 213 | Q | 94.3 | Very high | 91 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 16% | 0.164 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66 | -39.4 | 176.1 | -62.7 | -59.9 | -34.8 | 0 | 0 | 112.2 | I91 R92 F94 S209 F210 G211 A216 A217 | I91-Q213 HydrophobicContact CG2-CB 4.12Å; I91-Q213 HydrophobicContact CG2-CG 3.92Å; R92-Q213 PolarHBondContact O-NE2 2.88Å; R92-Q213 VanDerWaalsContact O-NE2 3.11Å; F94-Q213 HydrophobicContact CB-CB 4.36Å; F94-Q213 HydrophobicContact CD2-CB 4.45Å; S209-Q213 WeakPolarHBondContact O-CG 3.35Å; S209-Q213 PolarHBondContact O-N 2.82Å; F210-Q213 WeakPolarHBondContact O-CA 3.39Å; F210-Q213 WeakPolarHBondContact O-CB 2.92Å; F210-Q213 PolarHBondContact O-N 3.23Å; G211-Q213 VanDerWaalsContact C-N 3.3Å; G211-Q213 PolarHBondContact O-N 3.07Å; Q213-A216 PolarHBondContact O-N 3.1Å; Q213-A217 WeakPolarHBondContact O-CB 3.2Å; Q213-A217 PolarHBondContact O-N 2.7Å |
| 214 | L | 93.1 | Very high | 91.4 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 174.3 | -61.3 | -178.5 | 0 | 0 | 0 | 111.9 | F94 M124 M149 M152 F210 G211 A217 A218 | F94-L214 HydrophobicContact CE2-CD2 3.97Å; M124-L214 HydrophobicContact CG-CD2 3.95Å; M124-L214 HydrophobicContact SD-CD2 3.92Å; M149-L214 HydrophobicContact CE-CB 4.01Å; M149-L214 HydrophobicContact CE-CD2 3.9Å; M149-L214 WeakPolarHBondContact CE-O 3.49Å; M149-L214 HydrophobicContact SD-CB 3.94Å; M149-L214 HydrophobicContact SD-CD1 4.4Å; M149-L214 HydrophobicContact SD-CD2 3.96Å; M149-L214 HydrophobicContact SD-CG 4.31Å; M152-L214 HydrophobicContact SD-CB 4.23Å; F210-L214 HydrophobicContact CD1-CD1 4.18Å; F210-L214 HydrophobicContact CD1-CG 4.31Å; F210-L214 HydrophobicContact CE1-CD1 3.96Å; F210-L214 HydrophobicContact CE1-CD2 3.99Å; F210-L214 HydrophobicContact CE1-CG 4.09Å; F210-L214 HydrophobicContact CZ-CD2 4.02Å; F210-L214 PolarHBondContact O-N 3Å; G211-L214 PolarHBondContact O-N 3.34Å; L214-A217 PolarHBondContact O-N 2.87Å; L214-A218 PolarHBondContact O-N 3.23Å |
| 215 | M | 90.3 | Very high | 91.9 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 17% | 0.167 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 175.5 | -75.7 | -174.5 | 51.9 | 0 | 0 | 112.2 | M152 F160 K161 G211 I212 A217 A218 E219 | M152-M215 HydrophobicContact SD-CG 3.91Å; F160-M215 HydrophobicContact CD1-SD 3.51Å; F160-M215 VanDerWaalsContact CD1-SD 3.51Å; F160-M215 HydrophobicContact CE1-CG 4.19Å; F160-M215 HydrophobicContact CE1-SD 3.37Å; F160-M215 WeakPolarHBondContact CE1-SD 3.44Å; K161-M215 HydrophobicContact CD-CE 4.27Å; K161-M215 VanDerWaalsContact CE-CE 3.46Å; K161-M215 HydrophobicContact CG-CE 3.84Å; K161-M215 HydrophobicContact CG-SD 4.12Å; G211-M215 PolarHBondContact O-N 2.87Å; I212-M215 PolarHBondContact O-N 3.19Å; M215-A217 VanDerWaalsContact C-N 3.25Å; M215-A217 PolarHBondContact O-N 2.82Å; M215-A218 PolarHBondContact O-N 2.99Å; M215-E219 WeakPolarHBondContact O-CG 3.36Å; M215-E219 PolarHBondContact O-N 3.11Å |
| 216 | A | 91.8 | Very high | 92.6 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 35% | 0.347 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.8 | -36.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I212 Q213 R220 | I212-A216 WeakPolarHBondContact O-CB 3.34Å; I212-A216 PolarHBondContact O-N 2.74Å; Q213-A216 PolarHBondContact O-N 3.1Å; A216-R220 WeakPolarHBondContact O-CB 3.2Å; A216-R220 PolarHBondContact O-N 3.28Å |
| 217 | A | 96.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -47.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | F94 L131 M149 Q213 L214 M215 E219 R220 I221 | F94-A217 HydrophobicContact CB-CB 4.39Å; F94-A217 HydrophobicContact CD1-CB 3.51Å; F94-A217 HydrophobicContact CD2-CB 3.91Å; F94-A217 HydrophobicContact CE1-CB 3.61Å; F94-A217 HydrophobicContact CE2-CB 4Å; F94-A217 HydrophobicContact CG-CB 3.67Å; F94-A217 HydrophobicContact CZ-CB 3.85Å; L131-A217 HydrophobicContact CD1-CB 4.29Å; M149-A217 HydrophobicContact CE-CB 4.2Å; Q213-A217 WeakPolarHBondContact O-CB 3.2Å; Q213-A217 PolarHBondContact O-N 2.7Å; L214-A217 PolarHBondContact O-N 2.87Å; M215-A217 VanDerWaalsContact C-N 3.25Å; M215-A217 PolarHBondContact O-N 2.82Å; A217-E219 PolarHBondContact O-N 2.74Å; A217-R220 WeakPolarHBondContact O-CB 3.08Å; A217-R220 PolarHBondContact O-N 3.34Å; A217-I221 WeakPolarHBondContact O-CG1 3.45Å; A217-I221 PolarHBondContact O-N 2.75Å |
| 218 | A | 94.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 7% | 0.066 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L214 M215 R220 I221 E222 | L214-A218 PolarHBondContact O-N 3.23Å; M215-A218 PolarHBondContact O-N 2.99Å; A218-R220 VanDerWaalsContact C-N 3.29Å; A218-R220 PolarHBondContact O-N 3.48Å; A218-I221 PolarHBondContact O-N 3.35Å; A218-E222 WeakPolarHBondContact O-CG 3.43Å; A218-E222 PolarHBondContact O-N 2.68Å |
| 219 | E | 94.2 | Very high | 94.5 | Very high | 99 Ų | 99 | 43.1 Ų | 43.1 | 46% | 0.463 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.6 | -36.7 | 175.7 | -72.3 | 177.7 | -174.9 | 0 | 0 | 112.5 | M215 A217 R223 | M215-E219 WeakPolarHBondContact O-CG 3.36Å; M215-E219 PolarHBondContact O-N 3.11Å; A217-E219 PolarHBondContact O-N 2.74Å; E219-R223 WeakPolarHBondContact O-CG 3.43Å; E219-R223 PolarHBondContact O-N 3.04Å; E219-R223 PolarHBondContact O-NH1 3.29Å; E219-R223 VanDerWaalsContact O-NH1 3.12Å |
| 220 | R | 97.6 | Very high | 95.1 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -46 | 173.9 | -176.9 | -179.7 | 171.5 | -171.9 | -5.3 | 111.1 | L131 E135 A216 A217 A218 E222 R223 E224 | L131-R220 HydrophobicContact CD2-CB 4.27Å; L131-R220 HydrophobicContact CD2-CG 3.7Å; E135-R220 IonicContact OE2-NH2 2.87Å; A216-R220 WeakPolarHBondContact O-CB 3.2Å; A216-R220 PolarHBondContact O-N 3.28Å; A217-R220 WeakPolarHBondContact O-CB 3.08Å; A217-R220 PolarHBondContact O-N 3.34Å; A218-R220 VanDerWaalsContact C-N 3.29Å; A218-R220 PolarHBondContact O-N 3.48Å; R220-E222 VanDerWaalsContact C-N 3.29Å; R220-E222 PolarHBondContact O-N 2.86Å; R220-R223 WeakPolarHBondContact O-CB 3.2Å; R220-R223 PolarHBondContact O-N 3.26Å; R220-R223 VanDerWaalsContact O-N 3.09Å; R220-E224 HydrophobicContact CG-CG 4.35Å; R220-E224 WeakPolarHBondContact O-CG 3.29Å; R220-E224 PolarHBondContact O-N 2.96Å |
| 221 | I | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.3 | -46.6 | 176.9 | -70.6 | 165.3 | 0 | 0 | 0 | 110.2 | A127 I130 L131 V150 A217 A218 R223 E224 I225 | A127-I221 HydrophobicContact CB-CD1 3.51Å; I130-I221 HydrophobicContact CB-CD1 4.48Å; I130-I221 HydrophobicContact CB-CG1 4.46Å; I130-I221 HydrophobicContact CD1-CD1 4.29Å; I130-I221 HydrophobicContact CD1-CG2 4.36Å; I130-I221 HydrophobicContact CG2-CG1 4.02Å; I130-I221 HydrophobicContact CG2-CG2 4.03Å; L131-I221 HydrophobicContact CD1-CG1 4.25Å; L131-I221 HydrophobicContact CD2-CG1 3.68Å; L131-I221 HydrophobicContact CG-CD1 4.37Å; L131-I221 HydrophobicContact CG-CG1 3.77Å; V150-I221 HydrophobicContact CB-CG2 4.49Å; V150-I221 HydrophobicContact CG1-CG2 3.93Å; V150-I221 HydrophobicContact CG2-CG2 4.4Å; A217-I221 WeakPolarHBondContact O-CG1 3.45Å; A217-I221 PolarHBondContact O-N 2.75Å; A218-I221 PolarHBondContact O-N 3.35Å; I221-R223 PolarHBondContact O-N 3Å; I221-E224 CarbonylContact O-C 3.55Å; I221-E224 PolarHBondContact O-N 2.8Å; I221-I225 HydrophobicContact CG2-CD1 4.36Å; I221-I225 HydrophobicContact CG2-CG1 4.24Å; I221-I225 WeakPolarHBondContact O-CG1 3.37Å; I221-I225 PolarHBondContact O-N 2.61Å |
| 222 | E | 96.3 | Very high | 96.1 | Very high | 83 Ų | 83 | 43.6 Ų | 43.6 | 39% | 0.388 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.4 | -37.9 | 178 | -72 | -169.8 | -177.1 | 0 | 0 | 113.1 | Q151 A218 R220 M250 | Q151-E222 WeakPolarHBondContact CG-OE1 3.3Å; Q151-E222 PolarHBondContact NE2-OE1 3.27Å; A218-E222 WeakPolarHBondContact O-CG 3.43Å; A218-E222 PolarHBondContact O-N 2.68Å; R220-E222 VanDerWaalsContact C-N 3.29Å; R220-E222 PolarHBondContact O-N 2.86Å; E222-M250 HydrophobicContact CG-CE 3.81Å |
| 223 | R | 97.7 | Very high | 96.6 | Very high | 163 Ų | 163 | 40.5 Ų | 40.5 | 62% | 0.615 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -72.5 | -31.4 | 175.6 | -67.2 | -172.8 | -61.3 | -89.6 | 5.7 | 113.1 | E219 R220 I221 P226 | E219-R223 WeakPolarHBondContact O-CG 3.43Å; E219-R223 PolarHBondContact O-N 3.04Å; E219-R223 PolarHBondContact O-NH1 3.29Å; E219-R223 VanDerWaalsContact O-NH1 3.12Å; R220-R223 WeakPolarHBondContact O-CB 3.2Å; R220-R223 PolarHBondContact O-N 3.26Å; R220-R223 VanDerWaalsContact O-N 3.09Å; I221-R223 PolarHBondContact O-N 3Å; R223-P226 WeakPolarHBondContact O-CD 3.35Å |
| 224 | E | 98.3 | Very high | 96.8 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 27% | 0.266 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -82.1 | -24.2 | 179.6 | -67 | -63.7 | 167.2 | 0 | 0 | 113.1 | L131 C134 R220 I221 P226 S227 I228 | L131-E224 HydrophobicContact CD2-CG 4.32Å; C134-E224 HydrophobicContact CB-CB 4.37Å; C134-E224 HydrophobicContact CB-CG 4.26Å; R220-E224 HydrophobicContact CG-CG 4.35Å; R220-E224 WeakPolarHBondContact O-CG 3.29Å; R220-E224 PolarHBondContact O-N 2.96Å; I221-E224 CarbonylContact O-C 3.55Å; I221-E224 PolarHBondContact O-N 2.8Å; E224-P226 VanDerWaalsContact C-CD 3.41Å; E224-P226 VanDerWaalsContact C-N 3.3Å; E224-P226 VanDerWaalsContact O-N 3.07Å; E224-S227 WeakPolarHBondContact O-CA 3.3Å; E224-S227 WeakPolarHBondContact O-CB 3.34Å; E224-S227 PolarHBondContact O-N 2.84Å; E224-S227 PolarHBondContact O-OG 3.25Å; E224-S227 PolarHBondContact OE2-OG 2.75Å; E224-S227 VanDerWaalsContact OE2-OG 3.11Å; E224-I228 PolarHBondContact O-N 2.94Å |
| 225 | I | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -46.3 | -45.2 | -177.3 | -76 | 166.7 | 0 | 0 | 0 | 113.8 | V150 I221 S227 I228 M250 M251 K254 A255 | V150-I225 HydrophobicContact CG1-CD1 4.07Å; I221-I225 HydrophobicContact CG2-CD1 4.36Å; I221-I225 HydrophobicContact CG2-CG1 4.24Å; I221-I225 WeakPolarHBondContact O-CG1 3.37Å; I221-I225 PolarHBondContact O-N 2.61Å; I225-S227 PolarHBondContact O-N 3.33Å; I225-S227 VanDerWaalsContact O-N 3.15Å; I225-I228 HydrophobicContact CG1-CD1 4.26Å; I225-I228 WeakPolarHBondContact O-CB 3.48Å; I225-I228 PolarHBondContact O-N 2.65Å; I225-I228 VanDerWaalsContact O-N 3.13Å; I225-M250 HydrophobicContact CD1-CE 3.77Å; I225-M250 HydrophobicContact CD1-CG 4.42Å; I225-M251 HydrophobicContact CD1-CB 4.08Å; I225-M251 HydrophobicContact CG1-CB 4.33Å; I225-M251 HydrophobicContact CG1-CG 4.26Å; I225-K254 HydrophobicContact CG2-CB 3.53Å; I225-A255 HydrophobicContact CG2-CB 4.46Å; I225-A255 WeakPolarHBondContact O-CA 3.24Å |
| 226 | P | 98.1 | Very high | 97.5 | Very high | 88 Ų | 88 | 36.8 Ų | 36.8 | 57% | 0.571 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -63.5 | -15.6 | 177.8 | -23.1 | 35.5 | 0 | 0 | 0 | 115.4 | R223 E224 P256 | R223-P226 WeakPolarHBondContact O-CD 3.35Å; E224-P226 VanDerWaalsContact C-CD 3.41Å; E224-P226 VanDerWaalsContact C-N 3.3Å; E224-P226 VanDerWaalsContact O-N 3.07Å; P226-P256 WeakPolarHBondContact O-CD 3.46Å; P226-P256 WeakPolarHBondContact O-CG 3.35Å |
| 227 | S | 97.7 | Very high | 97.8 | Very high | 60 Ų | 60 | 34.9 Ų | 34.9 | 42% | 0.42 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -94.4 | -10.1 | 177 | 79.5 | 0 | 0 | 0 | 0 | 113.2 | E224 I225 S229 | E224-S227 WeakPolarHBondContact O-CA 3.3Å; E224-S227 WeakPolarHBondContact O-CB 3.34Å; E224-S227 PolarHBondContact O-N 2.84Å; E224-S227 PolarHBondContact O-OG 3.25Å; E224-S227 PolarHBondContact OE2-OG 2.75Å; E224-S227 VanDerWaalsContact OE2-OG 3.11Å; I225-S227 PolarHBondContact O-N 3.33Å; I225-S227 VanDerWaalsContact O-N 3.15Å; S227-S229 PolarHBondContact O-N 2.76Å |
| 228 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -73 | 96 | -173.7 | -64 | 179 | 0 | 0 | 0 | 111.4 | I130 E224 I225 W230 F232 M251 A255 P256 S257 | I130-I228 HydrophobicContact CG2-CD1 3.94Å; E224-I228 PolarHBondContact O-N 2.94Å; I225-I228 HydrophobicContact CG1-CD1 4.26Å; I225-I228 WeakPolarHBondContact O-CB 3.48Å; I225-I228 PolarHBondContact O-N 2.65Å; I225-I228 VanDerWaalsContact O-N 3.13Å; I228-W230 HydrophobicContact CB-CZ2 4.33Å; I228-W230 HydrophobicContact CD1-CH2 4.31Å; I228-W230 HydrophobicContact CD1-CZ2 3.85Å; I228-W230 HydrophobicContact CG1-CZ2 3.91Å; I228-W230 HydrophobicContact CG2-CD2 3.82Å; I228-W230 HydrophobicContact CG2-CE3 4.09Å; I228-W230 HydrophobicContact CG2-CG 4.48Å; I228-W230 HydrophobicContact CG2-CH2 3.86Å; I228-W230 HydrophobicContact CG2-CZ2 3.57Å; I228-W230 HydrophobicContact CG2-CZ3 4.1Å; I228-F232 HydrophobicContact CG2-CD1 4.06Å; I228-F232 HydrophobicContact CG2-CE1 3.91Å; I228-M251 HydrophobicContact CD1-CE 3.87Å; I228-M251 HydrophobicContact CG2-CE 4.31Å; I228-A255 HydrophobicContact CB-CB 3.88Å; I228-A255 HydrophobicContact CG2-CB 3.96Å; I228-P256 WeakPolarHBondContact O-CD 3.47Å; I228-P256 WeakPolarHBondContact O-CG 3.49Å; I228-S257 PolarHBondContact O-N 3.14Å | ||
| 229 | S | 97.7 | Very high | 97.8 | Very high | 71 Ų | 71 | 39.4 Ų | 39.4 | 50% | 0.497 | 21% | 0.206 | S | C | . | . | trans | -105.8 | -9 | 176.3 | 65.9 | 0 | 0 | 0 | 0 | 114.4 | S227 S257 | S227-S229 PolarHBondContact O-N 2.76Å; S229-S257 PolarHBondContact O-OG 3.33Å | ||
| 230 | W | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -73.7 | 153 | -179.3 | 39.9 | -101 | 0 | 0 | 0 | 112.2 | I130 A133 V143 I228 F232 M251 S257 | I130-W230 HydrophobicContact CB-CH2 4.49Å; I130-W230 HydrophobicContact CG1-CH2 4.2Å; I130-W230 HydrophobicContact CG2-CH2 4.44Å; I130-W230 HydrophobicContact CG2-CZ2 4.24Å; A133-W230 HydrophobicContact CB-CD2 3.9Å; A133-W230 VanDerWaalsContact CB-CE2 3.45Å; A133-W230 HydrophobicContact CB-CG 4.25Å; A133-W230 HydrophobicContact CB-CH2 4.38Å; A133-W230 HydrophobicContact CB-CZ2 3.74Å; V143-W230 HydrophobicContact CB-CE3 3.81Å; V143-W230 HydrophobicContact CB-CH2 4.31Å; V143-W230 HydrophobicContact CB-CZ3 3.51Å; V143-W230 HydrophobicContact CG1-CH2 4.36Å; V143-W230 HydrophobicContact CG1-CZ3 3.99Å; V143-W230 HydrophobicContact CG2-CD2 4.15Å; V143-W230 HydrophobicContact CG2-CE3 3.55Å; V143-W230 HydrophobicContact CG2-CH2 4.34Å; V143-W230 HydrophobicContact CG2-CZ3 3.67Å; I228-W230 HydrophobicContact CB-CZ2 4.33Å; I228-W230 HydrophobicContact CD1-CH2 4.31Å; I228-W230 HydrophobicContact CD1-CZ2 3.85Å; I228-W230 HydrophobicContact CG1-CZ2 3.91Å; I228-W230 HydrophobicContact CG2-CD2 3.82Å; I228-W230 HydrophobicContact CG2-CE3 4.09Å; I228-W230 HydrophobicContact CG2-CG 4.48Å; I228-W230 HydrophobicContact CG2-CH2 3.86Å; I228-W230 HydrophobicContact CG2-CZ2 3.57Å; I228-W230 HydrophobicContact CG2-CZ3 4.1Å; W230-F232 HydrophobicContact CE3-CB 3.88Å; W230-F232 HydrophobicContact CE3-CD1 4.02Å; W230-F232 HydrophobicContact CE3-CG 4.4Å; W230-F232 HydrophobicContact CZ3-CB 3.53Å; W230-F232 AromaticContact CZ3-CD1 3.86Å; W230-F232 HydrophobicContact CZ3-CD1 3.86Å; W230-F232 AromaticContact CZ3-CG 3.99Å; W230-F232 HydrophobicContact CZ3-CG 3.99Å; W230-F232 WeakPolarHBondContact O-CD1 3.4Å; W230-M251 HydrophobicContact CH2-CE 3.61Å; W230-M251 HydrophobicContact CZ2-CE 4.47Å; W230-M251 HydrophobicContact CZ3-CE 4.11Å; W230-S257 VanDerWaalsContact O-CB 3.3Å; W230-S257 WeakPolarHBondContact O-CB 3.42Å; W230-S257 PolarHBondContact O-OG 2.9Å |
| 231 | P | 98.8 | Very high | 97.4 | Very high | 31 Ų | 31 | 36.9 Ų | 36.9 | 20% | 0.201 | 20% | 0.196 | C | C | . | . | trans | -65.3 | 138.9 | -179.5 | -25.6 | 37 | 0 | 0 | 0 | 113.7 | T141 G142 V143 D259 W290 | T141-P231 WeakPolarHBondContact O-CG 3.17Å; G142-P231 WeakPolarHBondContact CA-O 3.43Å; V143-P231 PolarHBondContact N-O 3.28Å; P231-D259 CarbonylContact C-O 3.54Å; P231-D259 WeakPolarHBondContact CA-O 3.44Å; P231-D259 HydrophobicContact CB-CB 3.98Å; P231-D259 HydrophobicContact CG-CB 4.24Å; P231-W290 HydrophobicContact CB-CH2 4Å; P231-W290 HydrophobicContact CB-CZ2 4.17Å | ||
| 232 | F | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 152 | 177.3 | 67.5 | -99.6 | 0 | 0 | 0 | 117.6 | V143 I228 W230 L234 M251 F252 A255 D259 K260 K261 | V143-F232 HydrophobicContact CB-CB 4.46Å; V143-F232 CarbonylContact O-C 3.59Å; V143-F232 WeakPolarHBondContact O-CA 3.39Å; V143-F232 VanDerWaalsContact O-CB 3.3Å; V143-F232 WeakPolarHBondContact O-CB 3.26Å; I228-F232 HydrophobicContact CG2-CD1 4.06Å; I228-F232 HydrophobicContact CG2-CE1 3.91Å; W230-F232 HydrophobicContact CE3-CB 3.88Å; W230-F232 HydrophobicContact CE3-CD1 4.02Å; W230-F232 HydrophobicContact CE3-CG 4.4Å; W230-F232 HydrophobicContact CZ3-CB 3.53Å; W230-F232 AromaticContact CZ3-CD1 3.86Å; W230-F232 HydrophobicContact CZ3-CD1 3.86Å; W230-F232 AromaticContact CZ3-CG 3.99Å; W230-F232 HydrophobicContact CZ3-CG 3.99Å; W230-F232 WeakPolarHBondContact O-CD1 3.4Å; F232-L234 HydrophobicContact CD2-CD1 3.99Å; F232-L234 HydrophobicContact CD2-CG 3.87Å; F232-L234 HydrophobicContact CE2-CD1 3.5Å; F232-L234 HydrophobicContact CE2-CG 3.93Å; F232-M251 HydrophobicContact CD1-CE 4.3Å; F232-M251 HydrophobicContact CD2-CE 4.4Å; F232-M251 HydrophobicContact CE1-CE 4.3Å; F232-M251 HydrophobicContact CE2-CE 4.4Å; F232-M251 HydrophobicContact CG-CE 4.36Å; F232-M251 HydrophobicContact CZ-CE 4.34Å; F232-F252 HydrophobicContact CE2-CD2 4.22Å; F232-A255 HydrophobicContact CE1-CB 3.88Å; F232-A255 HydrophobicContact CZ-CB 4.03Å; F232-D259 PolarHBondContact N-O 3.06Å; F232-K260 HydrophobicContact CD1-CB 4.1Å; F232-K260 HydrophobicContact CD2-CB 4.01Å; F232-K260 HydrophobicContact CE1-CB 3.66Å; F232-K260 HydrophobicContact CE1-CD 4.21Å; F232-K260 HydrophobicContact CE2-CB 3.56Å; F232-K260 HydrophobicContact CG-CB 4.27Å; F232-K260 HydrophobicContact CZ-CB 3.37Å; F232-K260 HydrophobicContact CZ-CD 3.75Å; F232-K260 HydrophobicContact CZ-CG 4.19Å; F232-K260 WeakPolarHBondContact O-CA 3.34Å; F232-K261 PolarHBondContact O-N 3.16Å |
| 233 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.1 | 167.8 | 176 | 63.1 | 0 | 0 | 0 | 109.5 | V143 V144 L145 L235 K261 W290 | V143-L233 PolarHBondContact O-N 3.12Å; V144-L233 HydrophobicContact CG1-CB 4.23Å; V144-L233 HydrophobicContact CG1-CD2 3.93Å; V144-L233 HydrophobicContact CG1-CG 4.3Å; V144-L233 HydrophobicContact CG2-CB 4.27Å; L145-L233 PolarHBondContact N-O 3.25Å; L233-L235 HydrophobicContact CD1-CD2 3.85Å; L233-L235 HydrophobicContact CD1-CG 4.47Å; L233-L235 HydrophobicContact CD2-CD1 4.24Å; L233-L235 HydrophobicContact CD2-CD2 4.08Å; L233-L235 HydrophobicContact CD2-CG 4.16Å; L233-L235 HydrophobicContact CG-CD2 3.97Å; L233-L235 HydrophobicContact CG-CG 4.06Å; L233-K261 HydrophobicContact CD1-CB 3.89Å; L233-K261 HydrophobicContact CD1-CD 3.88Å; L233-K261 HydrophobicContact CD1-CG 3.93Å; L233-W290 HydrophobicContact CB-CD2 3.76Å; L233-W290 HydrophobicContact CB-CE3 4.37Å; L233-W290 HydrophobicContact CB-CG 3.86Å; L233-W290 HydrophobicContact CB-CZ2 4.35Å; L233-W290 HydrophobicContact CD2-CB 3.75Å; L233-W290 HydrophobicContact CD2-CD2 4.46Å; L233-W290 HydrophobicContact CD2-CG 3.84Å; L233-W290 HydrophobicContact CG-CG 4.31Å |
| 234 | L | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.2 | 169.4 | -74.2 | 164.6 | 0 | 0 | 0 | 109.5 | L145 P148 F232 M251 F252 K261 L262 T263 | L145-L234 HydrophobicContact CB-CD2 3.72Å; L145-L234 HydrophobicContact CD1-CD2 3.61Å; L145-L234 HydrophobicContact CD1-CG 4.39Å; L145-L234 HydrophobicContact CG-CD2 4.32Å; P148-L234 HydrophobicContact CG-CD2 3.62Å; F232-L234 HydrophobicContact CD2-CD1 3.99Å; F232-L234 HydrophobicContact CD2-CG 3.87Å; F232-L234 HydrophobicContact CE2-CD1 3.5Å; F232-L234 HydrophobicContact CE2-CG 3.93Å; L234-M251 HydrophobicContact CD1-CG 4.46Å; L234-M251 HydrophobicContact CD1-SD 4.23Å; L234-M251 HydrophobicContact CD2-SD 4.08Å; L234-F252 HydrophobicContact CD1-CB 4Å; L234-K261 PolarHBondContact N-O 3.02Å; L234-L262 HydrophobicContact CB-CB 4.38Å; L234-L262 HydrophobicContact CB-CD1 3.55Å; L234-L262 HydrophobicContact CD1-CD1 4.4Å; L234-L262 CarbonylContact O-C 3.56Å; L234-L262 WeakPolarHBondContact O-CA 3.32Å; L234-T263 PolarHBondContact O-N 3.45Å |
| 235 | L | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.8 | 170.2 | -54.9 | 178.4 | 0 | 0 | 0 | 107.6 | L145 I146 G147 L233 T263 L272 V283 D286 V287 | L145-L235 PolarHBondContact O-N 3.47Å; I146-L235 HydrophobicContact CG1-CD1 4.42Å; G147-L235 PolarHBondContact N-O 3.18Å; L233-L235 HydrophobicContact CD1-CD2 3.85Å; L233-L235 HydrophobicContact CD1-CG 4.47Å; L233-L235 HydrophobicContact CD2-CD1 4.24Å; L233-L235 HydrophobicContact CD2-CD2 4.08Å; L233-L235 HydrophobicContact CD2-CG 4.16Å; L233-L235 HydrophobicContact CG-CD2 3.97Å; L233-L235 HydrophobicContact CG-CG 4.06Å; L235-T263 WeakPolarHBondContact CA-O 3.28Å; L235-T263 HydrophobicContact CD2-CG2 4.35Å; L235-L272 HydrophobicContact CB-CD1 4.01Å; L235-V283 HydrophobicContact CD1-CB 4.41Å; L235-V283 HydrophobicContact CD1-CG1 3.82Å; L235-D286 HydrophobicContact CD1-CB 4.47Å; L235-D286 HydrophobicContact CD2-CB 4.35Å; L235-V287 HydrophobicContact CD1-CG2 3.86Å |
| 236 | H | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 134.4 | -176.2 | -149.2 | 107.1 | 0 | 0 | 0 | 112.3 | D240 C243 I245 S248 T263 I264 I265 | H236-D240 IonicContact NE2-OD2 3.69Å; H236-C243 PolarHBondContact NE2-O 3.46Å; H236-I245 HydrophobicContact CB-CG1 4.38Å; H236-I245 WeakPolarHBondContact NE2-CA 3.44Å; H236-I245 PolarHBondContact NE2-N 3.22Å; H236-S248 PolarHBondContact CE1-OG 2.65Å; H236-S248 PolarHBondContact ND1-OG 2.99Å; H236-T263 PolarHBondContact N-O 3.39Å; H236-I264 CarbonylContact O-C 3.48Å; H236-I264 VanDerWaalsContact O-CA 3.28Å; H236-I264 WeakPolarHBondContact O-CA 3.41Å; H236-I265 PolarHBondContact O-N 3.23Å |
| 237 | G | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A239 D240 I265 G268 | G237-A239 PolarHBondContact O-N 3.43Å; G237-D240 WeakPolarHBondContact O-CB 3.38Å; G237-D240 PolarHBondContact O-N 3.27Å; G237-I265 WeakPolarHBondContact CA-O 3.38Å; G237-G268 CarbonylContact C-O 3.53Å; G237-G268 VanDerWaalsContact C-O 3.3Å; G237-G268 WeakPolarHBondContact CA-O 3.29Å |
| 238 | D | 96.3 | Very high | 96.1 | Very high | 78 Ų | 78 | 26 Ų | 26 | 42% | 0.417 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -8.5 | -178.6 | 69.2 | 0.1 | 0 | 0 | 0 | 114.4 | I245 I264 I265 G267 | D238-I245 HydrophobicContact CB-CD1 3.93Å; D238-I264 HydrophobicContact CB-CG2 3.95Å; D238-I265 PolarHBondContact N-O 3.22Å; D238-I265 VanDerWaalsContact N-O 3.11Å; D238-G267 WeakPolarHBondContact OD1-CA 3.39Å; D238-G267 PolarHBondContact OD1-N 3.29Å |
| 239 | A | 95.3 | Very high | 96.1 | Very high | 27 Ų | 27 | 30.1 Ų | 30.1 | 22% | 0.223 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 8.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G237 K241 G268 Y269 | G237-A239 PolarHBondContact O-N 3.43Å; A239-K241 PolarHBondContact O-N 2.86Å; A239-G268 CarbonylContact C-O 3.51Å; A239-G268 WeakPolarHBondContact CA-O 3.31Å; A239-G268 WeakPolarHBondContact CB-O 3.46Å; A239-G268 PolarHBondContact N-O 3.44Å; A239-G268 VanDerWaalsContact N-O 3.12Å; A239-Y269 HydrophobicContact CB-CD1 3.88Å; A239-Y269 HydrophobicContact CB-CE1 3.91Å |
| 240 | D | 94.7 | Very high | 96.1 | Very high | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.064 | 14% | 0.135 | C | C | . | . | trans | -57.7 | 121.3 | 175.3 | -170.3 | -19.1 | 0 | 0 | 0 | 111.2 | H236 G237 L242 C243 G268 H270 | H236-D240 IonicContact NE2-OD2 3.69Å; G237-D240 WeakPolarHBondContact O-CB 3.38Å; G237-D240 PolarHBondContact O-N 3.27Å; D240-L242 WeakPolarHBondContact OD1-CA 3.26Å; D240-L242 PolarHBondContact OD1-N 2.95Å; D240-C243 WeakPolarHBondContact CB-O 3.35Å; D240-C243 PolarHBondContact OD1-N 3.42Å; D240-G268 PolarHBondContact N-O 3.32Å; D240-H270 VanDerWaalsContact CG-ND1 3.34Å; D240-H270 IonicContact OD1-CG 3.76Å; D240-H270 IonicContact OD1-ND1 2.67Å; D240-H270 PolarHBondContact OD1-ND1 3.06Å; D240-H270 IonicContact OD2-CE1 3.68Å; D240-H270 IonicContact OD2-CG 3.22Å; D240-H270 IonicContact OD2-ND1 3.89Å; D240-H270 PolarHBondContact OD2-ND1 3.23Å | ||
| 241 | K | 89.4 | Confident | 96.1 | Very high | 96 Ų | 96 | 27.8 Ų | 27.8 | 42% | 0.417 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -95.4 | -12.2 | 179.2 | -64.2 | -58.1 | -175 | 179.8 | 0 | 113.5 | N153 W184 A239 | N153-K241 PolarHBondContact ND2-O 3.44Å; W184-K241 HydrophobicContact CB-CB 4.39Å; W184-K241 HydrophobicContact CD2-CB 4.33Å; W184-K241 HydrophobicContact CD2-CG 4.18Å; W184-K241 HydrophobicContact CE3-CB 4.17Å; W184-K241 HydrophobicContact CE3-CG 3.55Å; W184-K241 HydrophobicContact CG-CB 4.44Å; W184-K241 HydrophobicContact CZ3-CG 3.89Å; A239-K241 PolarHBondContact O-N 2.86Å |
| 242 | L | 87.6 | Confident | 96.1 | Very high | 41 Ų | 41 | 29.4 Ų | 29.4 | 22% | 0.215 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -99.2 | -54.6 | -174.4 | -59 | -179 | 0 | 0 | 0 | 110.9 | N153 I180 V185 D240 H270 | N153-L242 PolarHBondContact N-O 3.28Å; I180-L242 HydrophobicContact CG2-CD1 3.89Å; I180-L242 HydrophobicContact CG2-CD2 4.06Å; V185-L242 HydrophobicContact CG2-CD1 4.2Å; D240-L242 WeakPolarHBondContact OD1-CA 3.26Å; D240-L242 PolarHBondContact OD1-N 2.95Å; L242-H270 HydrophobicContact CB-CB 4.5Å; L242-H270 HydrophobicContact CD1-CB 4.05Å; L242-H270 VanDerWaalsContact CD1-CD2 3.45Å; L242-H270 WeakPolarHBondContact CD1-CD2 3.38Å; L242-H270 HydrophobicContact CG-CB 4.42Å |
| 243 | C | 92.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -104.2 | 128.4 | 175.7 | -70.7 | 0 | 0 | 0 | 0 | 109.9 | M149 H236 D240 I245 H270 | M149-C243 VanDerWaalsContact CA-SG 3.59Å; H236-C243 PolarHBondContact NE2-O 3.46Å; D240-C243 WeakPolarHBondContact CB-O 3.35Å; D240-C243 PolarHBondContact OD1-N 3.42Å; C243-I245 PolarHBondContact O-N 3.16Å; C243-H270 PolarHBondContact SG-CE1 3Å |
| 244 | D | 91.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 42 Ų | 42 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | trans | -78.1 | 125.1 | -176.7 | -160.7 | -59.7 | 0 | 0 | 0 | 110.6 | Q151 P154 R246 G247 | Q151-D244 PolarHBondContact O-N 2.85Å; P154-D244 WeakPolarHBondContact CD-OD2 3.28Å; D244-R246 VanDerWaalsContact CG-NE 3.33Å; D244-R246 PolarHBondContact O-N 3.31Å; D244-R246 WeakPolarHBondContact OD1-CB 3.39Å; D244-R246 WeakPolarHBondContact OD1-CG 3.28Å; D244-R246 IonicContact OD1-CZ 3.45Å; D244-R246 PolarHBondContact OD1-N 2.49Å; D244-R246 IonicContact OD1-NE 2.65Å; D244-R246 PolarHBondContact OD1-NE 2.93Å; D244-R246 IonicContact OD1-NH2 3.32Å; D244-R246 IonicContact OD2-CZ 2.75Å; D244-R246 VanDerWaalsContact OD2-CZ 3.28Å; D244-R246 IonicContact OD2-NE 3.75Å; D244-R246 PolarHBondContact OD2-NE 3.44Å; D244-R246 VanDerWaalsContact OD2-NE 3.11Å; D244-R246 IonicContact OD2-NH2 2.65Å; D244-R246 PolarHBondContact OD2-NH2 3.13Å; D244-G247 PolarHBondContact O-N 2.75Å | ||
| 245 | I | 95.3 | Very high | 96 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 13% | 0.133 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.5 | -26.4 | 176.9 | -169.7 | 166.7 | 0 | 0 | 0 | 113.1 | H236 D238 C243 G247 S248 K249 I264 | H236-I245 HydrophobicContact CB-CG1 4.38Å; H236-I245 WeakPolarHBondContact NE2-CA 3.44Å; H236-I245 PolarHBondContact NE2-N 3.22Å; D238-I245 HydrophobicContact CB-CD1 3.93Å; C243-I245 PolarHBondContact O-N 3.16Å; I245-G247 PolarHBondContact O-N 3.39Å; I245-S248 PolarHBondContact O-N 2.81Å; I245-S248 VanDerWaalsContact O-N 3.13Å; I245-K249 HydrophobicContact CG1-CG 4.44Å; I245-K249 PolarHBondContact O-N 3.22Å; I245-I264 HydrophobicContact CD1-CD1 4.03Å; I245-I264 HydrophobicContact CD1-CG1 4.07Å; I245-I264 HydrophobicContact CD1-CG2 3.7Å |
| 246 | R | 95.6 | Very high | 96 | Very high | 138 Ų | 138 | 45.9 Ų | 45.9 | 52% | 0.521 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.2 | -33.9 | 173.7 | -68.8 | 177.4 | -74.6 | -172.5 | -9.5 | 112.2 | P154 D244 K249 M250 | P154-R246 VanDerWaalsContact CD-NH2 3.29Å; P154-R246 VanDerWaalsContact CG-NH2 3.28Å; D244-R246 VanDerWaalsContact CG-NE 3.33Å; D244-R246 PolarHBondContact O-N 3.31Å; D244-R246 WeakPolarHBondContact OD1-CB 3.39Å; D244-R246 WeakPolarHBondContact OD1-CG 3.28Å; D244-R246 IonicContact OD1-CZ 3.45Å; D244-R246 PolarHBondContact OD1-N 2.49Å; D244-R246 IonicContact OD1-NE 2.65Å; D244-R246 PolarHBondContact OD1-NE 2.93Å; D244-R246 IonicContact OD1-NH2 3.32Å; D244-R246 IonicContact OD2-CZ 2.75Å; D244-R246 VanDerWaalsContact OD2-CZ 3.28Å; D244-R246 IonicContact OD2-NE 3.75Å; D244-R246 PolarHBondContact OD2-NE 3.44Å; D244-R246 VanDerWaalsContact OD2-NE 3.11Å; D244-R246 IonicContact OD2-NH2 2.65Å; D244-R246 PolarHBondContact OD2-NH2 3.13Å; R246-K249 PolarHBondContact O-N 3.46Å; R246-M250 VanDerWaalsContact O-CB 3.23Å; R246-M250 WeakPolarHBondContact O-CB 3.14Å; R246-M250 PolarHBondContact O-N 3.45Å |
| 247 | G | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.6 | -46.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V150 D244 I245 M250 M251 | V150-G247 WeakPolarHBondContact CG1-O 3.43Å; D244-G247 PolarHBondContact O-N 2.75Å; I245-G247 PolarHBondContact O-N 3.39Å; G247-M250 PolarHBondContact O-N 3.49Å; G247-M251 PolarHBondContact O-N 2.87Å |
| 248 | S | 98 | Very high | 96 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 177.5 | -70 | 0 | 0 | 0 | 0 | 112.6 | H236 I245 M251 F252 | H236-S248 PolarHBondContact CE1-OG 2.65Å; H236-S248 PolarHBondContact ND1-OG 2.99Å; I245-S248 PolarHBondContact O-N 2.81Å; I245-S248 VanDerWaalsContact O-N 3.13Å; S248-M251 PolarHBondContact O-N 2.86Å; S248-F252 WeakPolarHBondContact O-CB 3.38Å; S248-F252 PolarHBondContact O-N 2.96Å |
| 249 | K | 98.3 | Very high | 96.1 | Very high | 86 Ų | 86 | 50.8 Ų | 50.8 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 173.5 | -71.7 | 179.2 | 176.4 | 178.5 | 0 | 111.6 | I245 R246 M251 F252 E253 L262 | I245-K249 HydrophobicContact CG1-CG 4.44Å; I245-K249 PolarHBondContact O-N 3.22Å; R246-K249 PolarHBondContact O-N 3.46Å; K249-M251 PolarHBondContact O-N 3.28Å; K249-F252 PolarHBondContact O-N 3.45Å; K249-E253 WeakPolarHBondContact O-CB 3.35Å; K249-E253 VanDerWaalsContact O-CG 3.29Å; K249-E253 WeakPolarHBondContact O-CG 3.45Å; K249-E253 PolarHBondContact O-N 2.92Å; K249-L262 HydrophobicContact CG-CD2 4.25Å |
| 250 | M | 97.9 | Very high | 96.3 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 177.4 | 175.6 | -179.4 | 61.9 | 0 | 0 | 112.2 | V150 Q151 E222 I225 R246 G247 E253 K254 | V150-M250 HydrophobicContact CG1-CE 4.09Å; Q151-M250 HydrophobicContact CG-CE 3.97Å; E222-M250 HydrophobicContact CG-CE 3.81Å; I225-M250 HydrophobicContact CD1-CE 3.77Å; I225-M250 HydrophobicContact CD1-CG 4.42Å; R246-M250 VanDerWaalsContact O-CB 3.23Å; R246-M250 WeakPolarHBondContact O-CB 3.14Å; R246-M250 PolarHBondContact O-N 3.45Å; G247-M250 PolarHBondContact O-N 3.49Å; M250-E253 PolarHBondContact O-N 2.79Å; M250-K254 HydrophobicContact CG-CD 3.77Å; M250-K254 HydrophobicContact CG-CG 4.45Å; M250-K254 WeakPolarHBondContact O-CB 3.47Å; M250-K254 WeakPolarHBondContact O-CG 3.18Å; M250-K254 PolarHBondContact O-N 3.39Å |
| 251 | M | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 176.6 | 180 | -174.4 | 173.7 | 0 | 0 | 110.8 | I130 L145 V150 I225 I228 W230 F232 L234 G247 S248 K249 E253 K254 A255 | I130-M251 HydrophobicContact CD1-CE 4.34Å; I130-M251 HydrophobicContact CD1-SD 3.96Å; I130-M251 HydrophobicContact CG1-CE 4.14Å; I130-M251 HydrophobicContact CG1-SD 4.41Å; L145-M251 HydrophobicContact CD1-CE 3.75Å; L145-M251 HydrophobicContact CD1-SD 4.05Å; V150-M251 HydrophobicContact CG1-CB 4.46Å; V150-M251 HydrophobicContact CG2-SD 4.11Å; I225-M251 HydrophobicContact CD1-CB 4.08Å; I225-M251 HydrophobicContact CG1-CB 4.33Å; I225-M251 HydrophobicContact CG1-CG 4.26Å; I228-M251 HydrophobicContact CD1-CE 3.87Å; I228-M251 HydrophobicContact CG2-CE 4.31Å; W230-M251 HydrophobicContact CH2-CE 3.61Å; W230-M251 HydrophobicContact CZ2-CE 4.47Å; W230-M251 HydrophobicContact CZ3-CE 4.11Å; F232-M251 HydrophobicContact CD1-CE 4.3Å; F232-M251 HydrophobicContact CD2-CE 4.4Å; F232-M251 HydrophobicContact CE1-CE 4.3Å; F232-M251 HydrophobicContact CE2-CE 4.4Å; F232-M251 HydrophobicContact CG-CE 4.36Å; F232-M251 HydrophobicContact CZ-CE 4.34Å; L234-M251 HydrophobicContact CD1-CG 4.46Å; L234-M251 HydrophobicContact CD1-SD 4.23Å; L234-M251 HydrophobicContact CD2-SD 4.08Å; G247-M251 PolarHBondContact O-N 2.87Å; S248-M251 PolarHBondContact O-N 2.86Å; K249-M251 PolarHBondContact O-N 3.28Å; M251-E253 VanDerWaalsContact C-N 3.33Å; M251-E253 PolarHBondContact O-N 3.49Å; M251-K254 PolarHBondContact O-N 2.92Å; M251-A255 WeakPolarHBondContact O-CB 3.4Å; M251-A255 PolarHBondContact O-N 3.19Å |
| 252 | F | 98.7 | Very high | 96.9 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 29% | 0.285 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 179 | -177.9 | -99.8 | 0 | 0 | 0 | 112.4 | F232 L234 S248 K249 K260 L262 | F232-F252 HydrophobicContact CE2-CD2 4.22Å; L234-F252 HydrophobicContact CD1-CB 4Å; S248-F252 WeakPolarHBondContact O-CB 3.38Å; S248-F252 PolarHBondContact O-N 2.96Å; K249-F252 PolarHBondContact O-N 3.45Å; F252-K260 HydrophobicContact CD2-CB 4.3Å; F252-K260 HydrophobicContact CD2-CD 4.17Å; F252-K260 HydrophobicContact CD2-CG 4.23Å; F252-K260 HydrophobicContact CE2-CB 4.12Å; F252-K260 HydrophobicContact CE2-CD 4.17Å; F252-K260 HydrophobicContact CE2-CG 3.84Å; F252-K260 WeakPolarHBondContact O-CD 3.3Å; F252-K260 WeakPolarHBondContact O-CE 3.21Å; F252-K260 PolarHBondContact O-NZ 3.09Å; F252-L262 HydrophobicContact CB-CB 4.26Å; F252-L262 HydrophobicContact CB-CD2 4.05Å; F252-L262 HydrophobicContact CD1-CB 4.26Å; F252-L262 HydrophobicContact CD1-CD2 4.3Å; F252-L262 HydrophobicContact CD2-CB 3.54Å; F252-L262 HydrophobicContact CE2-CB 3.88Å; F252-L262 HydrophobicContact CG-CB 3.75Å; F252-L262 HydrophobicContact CG-CD2 4.11Å; F252-L262 HydrophobicContact CZ-CB 4.38Å |
| 253 | E | 98.4 | Very high | 97.4 | Very high | 139 Ų | 139 | 53 Ų | 53 | 65% | 0.65 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -69.8 | -44.9 | -179.4 | -73.4 | 168.8 | -169.1 | 0 | 0 | 112.5 | K249 M250 M251 | K249-E253 WeakPolarHBondContact O-CB 3.35Å; K249-E253 VanDerWaalsContact O-CG 3.29Å; K249-E253 WeakPolarHBondContact O-CG 3.45Å; K249-E253 PolarHBondContact O-N 2.92Å; M250-E253 PolarHBondContact O-N 2.79Å; M251-E253 VanDerWaalsContact C-N 3.33Å; M251-E253 PolarHBondContact O-N 3.49Å |
| 254 | K | 98.5 | Very high | 97.7 | Very high | 127 Ų | 127 | 56.3 Ų | 56.3 | 55% | 0.552 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -93.8 | -20.3 | -168.4 | -64.7 | -178.8 | -176.6 | 173.5 | 0 | 114.9 | I225 M250 M251 | I225-K254 HydrophobicContact CG2-CB 3.53Å; M250-K254 HydrophobicContact CG-CD 3.77Å; M250-K254 HydrophobicContact CG-CG 4.45Å; M250-K254 WeakPolarHBondContact O-CB 3.47Å; M250-K254 WeakPolarHBondContact O-CG 3.18Å; M250-K254 PolarHBondContact O-N 3.39Å; M251-K254 PolarHBondContact O-N 2.92Å |
| 255 | A | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | trans | -69.6 | 131.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I225 I228 F232 M251 S257 K260 | I225-A255 HydrophobicContact CG2-CB 4.46Å; I225-A255 WeakPolarHBondContact O-CA 3.24Å; I228-A255 HydrophobicContact CB-CB 3.88Å; I228-A255 HydrophobicContact CG2-CB 3.96Å; F232-A255 HydrophobicContact CE1-CB 3.88Å; F232-A255 HydrophobicContact CZ-CB 4.03Å; M251-A255 WeakPolarHBondContact O-CB 3.4Å; M251-A255 PolarHBondContact O-N 3.19Å; A255-S257 PolarHBondContact O-N 3.26Å; A255-K260 PolarHBondContact O-NZ 2.75Å | ||
| 256 | P | 98.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 63.6 Ų | 63.6 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | trans | -76.1 | 2.3 | -179.5 | 31.7 | -38.9 | 0 | 0 | 0 | 115.1 | P226 I228 S258 | P226-P256 WeakPolarHBondContact O-CD 3.46Å; P226-P256 WeakPolarHBondContact O-CG 3.35Å; I228-P256 WeakPolarHBondContact O-CD 3.47Å; I228-P256 WeakPolarHBondContact O-CG 3.49Å; P256-S258 PolarHBondContact O-N 3.18Å | ||
| 257 | S | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.028 | 30% | 0.301 | C | S | . | . | trans | -52.6 | 129 | 177.2 | -176 | 0 | 0 | 0 | 0 | 112.3 | I228 S229 W230 A255 D259 K260 | I228-S257 PolarHBondContact O-N 3.14Å; S229-S257 PolarHBondContact O-OG 3.33Å; W230-S257 VanDerWaalsContact O-CB 3.3Å; W230-S257 WeakPolarHBondContact O-CB 3.42Å; W230-S257 PolarHBondContact O-OG 2.9Å; A255-S257 PolarHBondContact O-N 3.26Å; S257-D259 VanDerWaalsContact C-N 3.31Å; S257-D259 PolarHBondContact OG-N 2.81Å; S257-D259 PolarHBondContact OG-O 3.12Å; S257-K260 WeakPolarHBondContact O-CD 3.39Å; S257-K260 WeakPolarHBondContact O-CE 3.49Å | ||
| 258 | S | 97.9 | Very high | 98.2 | Very high | 128 Ų | 128 | 58.2 Ų | 58.2 | 90% | 0.895 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -78.8 | -17.3 | 176.1 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | P256 | P256-S258 PolarHBondContact O-N 3.18Š|
| 259 | D | 98.4 | Very high | 98.1 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -121.8 | 81.9 | -179.8 | -176.4 | 15.7 | 0 | 0 | 0 | 110.2 | P231 F232 S257 R294 | P231-D259 CarbonylContact C-O 3.54Å; P231-D259 WeakPolarHBondContact CA-O 3.44Å; P231-D259 HydrophobicContact CB-CB 3.98Å; P231-D259 HydrophobicContact CG-CB 4.24Å; F232-D259 PolarHBondContact N-O 3.06Å; S257-D259 VanDerWaalsContact C-N 3.31Å; S257-D259 PolarHBondContact OG-N 2.81Å; S257-D259 PolarHBondContact OG-O 3.12Å; D259-R294 IonicContact OD1-CZ 2.71Å; D259-R294 IonicContact OD1-NE 3.19Å; D259-R294 IonicContact OD1-NH2 3.7Å; D259-R294 PolarHBondContact OD1-NH2 3.24Å; D259-R294 IonicContact OD2-CZ 3.66Å; D259-R294 VanDerWaalsContact OD2-CZ 3.25Å; D259-R294 IonicContact OD2-NE 3.61Å; D259-R294 PolarHBondContact OD2-NE 3.15Å; D259-R294 IonicContact OD2-NH2 3.38Å; D259-R294 PolarHBondContact OD2-NH2 3.3Å |
| 260 | K | 98.6 | Very high | 98 | Very high | 64 Ų | 64 | 57.4 Ų | 57.4 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.4 | -178.6 | 56.1 | -179.2 | 176.7 | 178.1 | 0 | 111.4 | F232 F252 A255 S257 | F232-K260 HydrophobicContact CD1-CB 4.1Å; F232-K260 HydrophobicContact CD2-CB 4.01Å; F232-K260 HydrophobicContact CE1-CB 3.66Å; F232-K260 HydrophobicContact CE1-CD 4.21Å; F232-K260 HydrophobicContact CE2-CB 3.56Å; F232-K260 HydrophobicContact CG-CB 4.27Å; F232-K260 HydrophobicContact CZ-CB 3.37Å; F232-K260 HydrophobicContact CZ-CD 3.75Å; F232-K260 HydrophobicContact CZ-CG 4.19Å; F232-K260 WeakPolarHBondContact O-CA 3.34Å; F252-K260 HydrophobicContact CD2-CB 4.3Å; F252-K260 HydrophobicContact CD2-CD 4.17Å; F252-K260 HydrophobicContact CD2-CG 4.23Å; F252-K260 HydrophobicContact CE2-CB 4.12Å; F252-K260 HydrophobicContact CE2-CD 4.17Å; F252-K260 HydrophobicContact CE2-CG 3.84Å; F252-K260 WeakPolarHBondContact O-CD 3.3Å; F252-K260 WeakPolarHBondContact O-CE 3.21Å; F252-K260 PolarHBondContact O-NZ 3.09Å; A255-K260 PolarHBondContact O-NZ 2.75Å; S257-K260 WeakPolarHBondContact O-CD 3.39Å; S257-K260 WeakPolarHBondContact O-CE 3.49Å |
| 261 | K | 98.8 | Very high | 97.9 | Very high | 92 Ų | 92 | 56.2 Ų | 56.2 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 137.9 | 173.2 | -176.7 | -179.8 | 173.5 | -159.6 | 0 | 110 | F232 L233 L234 T263 D286 | F232-K261 PolarHBondContact O-N 3.16Å; L233-K261 HydrophobicContact CD1-CB 3.89Å; L233-K261 HydrophobicContact CD1-CD 3.88Å; L233-K261 HydrophobicContact CD1-CG 3.93Å; L234-K261 PolarHBondContact N-O 3.02Å; K261-T263 WeakPolarHBondContact CE-OG1 3.35Å; K261-D286 IonicContact NZ-OD2 3.12Å; K261-D286 PolarHBondContact NZ-OD2 2.87Å |
| 262 | L | 98.7 | Very high | 97.9 | Very high | 39 Ų | 39 | 56.2 Ų | 56.2 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121.8 | 168.9 | 172.3 | 63.3 | 0 | 0 | 0 | 108.7 | L234 K249 F252 I264 | L234-L262 HydrophobicContact CB-CB 4.38Å; L234-L262 HydrophobicContact CB-CD1 3.55Å; L234-L262 HydrophobicContact CD1-CD1 4.4Å; L234-L262 CarbonylContact O-C 3.56Å; L234-L262 WeakPolarHBondContact O-CA 3.32Å; K249-L262 HydrophobicContact CG-CD2 4.25Å; F252-L262 HydrophobicContact CB-CB 4.26Å; F252-L262 HydrophobicContact CB-CD2 4.05Å; F252-L262 HydrophobicContact CD1-CB 4.26Å; F252-L262 HydrophobicContact CD1-CD2 4.3Å; F252-L262 HydrophobicContact CD2-CB 3.54Å; F252-L262 HydrophobicContact CE2-CB 3.88Å; F252-L262 HydrophobicContact CG-CB 3.75Å; F252-L262 HydrophobicContact CG-CD2 4.11Å; F252-L262 HydrophobicContact CZ-CB 4.38Å; L262-I264 HydrophobicContact CD1-CG1 4.33Å; L262-I264 HydrophobicContact CD2-CD1 4.33Å; L262-I264 HydrophobicContact CD2-CG1 4.34Å; L262-I264 HydrophobicContact CG-CG1 4.14Å |
| 263 | T | 98.4 | Very high | 97.8 | Very high | 27 Ų | 27 | 53.3 Ų | 53.3 | 17% | 0.166 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.5 | 169.2 | -52.8 | 0 | 0 | 0 | 0 | 108.2 | L234 L235 H236 K261 I265 D286 | L234-T263 PolarHBondContact O-N 3.45Å; L235-T263 WeakPolarHBondContact CA-O 3.28Å; L235-T263 HydrophobicContact CD2-CG2 4.35Å; H236-T263 PolarHBondContact N-O 3.39Å; K261-T263 WeakPolarHBondContact CE-OG1 3.35Å; T263-I265 HydrophobicContact CG2-CD1 3.91Å; T263-D286 PolarHBondContact OG1-OD2 3.28Å |
| 264 | I | 98.4 | Very high | 97.7 | Very high | 73 Ų | 73 | 48.2 Ų | 48.2 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127.5 | 173.3 | -60.2 | 173.8 | 0 | 0 | 0 | 108 | H236 D238 I245 L262 | H236-I264 CarbonylContact O-C 3.48Å; H236-I264 VanDerWaalsContact O-CA 3.28Å; H236-I264 WeakPolarHBondContact O-CA 3.41Å; D238-I264 HydrophobicContact CB-CG2 3.95Å; I245-I264 HydrophobicContact CD1-CD1 4.03Å; I245-I264 HydrophobicContact CD1-CG1 4.07Å; I245-I264 HydrophobicContact CD1-CG2 3.7Å; L262-I264 HydrophobicContact CD1-CG1 4.33Å; L262-I264 HydrophobicContact CD2-CD1 4.33Å; L262-I264 HydrophobicContact CD2-CG1 4.34Å; L262-I264 HydrophobicContact CG-CG1 4.14Å |
| 265 | I | 98.1 | Very high | 97.5 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 112.2 | 176.4 | -52.7 | -58.7 | 0 | 0 | 0 | 108.5 | H236 G237 D238 T263 G267 G268 L272 V279 | H236-I265 PolarHBondContact O-N 3.23Å; G237-I265 WeakPolarHBondContact CA-O 3.38Å; D238-I265 PolarHBondContact N-O 3.22Å; D238-I265 VanDerWaalsContact N-O 3.11Å; T263-I265 HydrophobicContact CG2-CD1 3.91Å; I265-G267 PolarHBondContact O-N 3.15Å; I265-G268 PolarHBondContact O-N 2.97Å; I265-G268 VanDerWaalsContact O-N 3.07Å; I265-L272 HydrophobicContact CB-CD2 4Å; I265-L272 HydrophobicContact CG1-CD1 3.93Å; I265-L272 HydrophobicContact CG1-CD2 4.06Å; I265-L272 HydrophobicContact CG2-CD2 4.33Å; I265-V279 HydrophobicContact CG2-CG1 3.79Å; I265-V279 HydrophobicContact CG2-CG2 3.92Å |
| 266 | E | 97.4 | Very high | 97.5 | Very high | 170 Ų | 170 | 44.5 Ų | 44.5 | 79% | 0.794 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 128 | 177.6 | -173.5 | 175.8 | 178.2 | 0 | 0 | 110.8 | G268 | E266-G268 PolarHBondContact O-N 3.22Å; E266-G268 VanDerWaalsContact O-N 3.15Å |
| 267 | G | 96.4 | Very high | 97.4 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 27% | 0.268 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 0.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | R187 D238 I265 Y269 | R187-G267 WeakPolarHBondContact CD-O 3.43Å; R187-G267 PolarHBondContact NE-O 2.69Å; R187-G267 PolarHBondContact NH1-O 3.13Å; R187-G267 VanDerWaalsContact NH1-O 3.09Å; D238-G267 WeakPolarHBondContact OD1-CA 3.39Å; D238-G267 PolarHBondContact OD1-N 3.29Å; I265-G267 PolarHBondContact O-N 3.15Å; G267-Y269 WeakPolarHBondContact O-CD1 3.49Å |
| 268 | G | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -64.6 | 138.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G237 A239 D240 I265 E266 D275 | G237-G268 CarbonylContact C-O 3.53Å; G237-G268 VanDerWaalsContact C-O 3.3Å; G237-G268 WeakPolarHBondContact CA-O 3.29Å; A239-G268 CarbonylContact C-O 3.51Å; A239-G268 WeakPolarHBondContact CA-O 3.31Å; A239-G268 WeakPolarHBondContact CB-O 3.46Å; A239-G268 PolarHBondContact N-O 3.44Å; A239-G268 VanDerWaalsContact N-O 3.12Å; D240-G268 PolarHBondContact N-O 3.32Å; I265-G268 PolarHBondContact O-N 2.97Å; I265-G268 VanDerWaalsContact O-N 3.07Å; E266-G268 PolarHBondContact O-N 3.22Å; E266-G268 VanDerWaalsContact O-N 3.15Å; G268-D275 WeakPolarHBondContact CA-OD2 3.29Å | ||
| 269 | Y | 96.6 | Very high | 97.3 | Very high | 62 Ų | 62 | 44.8 Ų | 44.8 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | trans | -90.5 | -164.9 | 176.6 | -83.5 | 28.3 | 0 | 0 | 0 | 110.8 | K183 R187 A239 G267 L272 D275 | K183-Y269 WeakPolarHBondContact O-CE2 3.39Å; R187-Y269 HydrophobicContact CG-CD1 3.51Å; R187-Y269 HydrophobicContact CG-CD2 3.67Å; R187-Y269 HydrophobicContact CG-CE1 3.53Å; R187-Y269 HydrophobicContact CG-CE2 3.67Å; R187-Y269 HydrophobicContact CG-CG 3.59Å; A239-Y269 HydrophobicContact CB-CD1 3.88Å; A239-Y269 HydrophobicContact CB-CE1 3.91Å; G267-Y269 WeakPolarHBondContact O-CD1 3.49Å; Y269-L272 WeakPolarHBondContact O-CD2 3.48Å; Y269-D275 PolarHBondContact N-OD2 2.95Å | ||
| 270 | H | 96.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -68.8 | -51.7 | -171.6 | -173.2 | 53.3 | 0 | 0 | 0 | 113.6 | H122 S123 V185 D240 L242 C243 L272 | H122-H270 AromaticContact CE1-CD2 3.65Å; H122-H270 AromaticContact CE1-CE1 3.92Å; H122-H270 AromaticContact CE1-NE2 3.57Å; H122-H270 PolarHBondContact CE1-O 2.86Å; H122-H270 AromaticContact NE2-CD2 3.8Å; H122-H270 AromaticContact NE2-NE2 3.74Å; S123-H270 WeakPolarHBondContact CB-NE2 3.33Å; S123-H270 PolarHBondContact OG-CE1 2.95Å; S123-H270 VanDerWaalsContact OG-CE1 3.31Å; S123-H270 PolarHBondContact OG-NE2 3.33Å; V185-H270 PolarHBondContact O-N 2.79Å; D240-H270 VanDerWaalsContact CG-ND1 3.34Å; D240-H270 IonicContact OD1-CG 3.76Å; D240-H270 IonicContact OD1-ND1 2.67Å; D240-H270 PolarHBondContact OD1-ND1 3.06Å; D240-H270 IonicContact OD2-CE1 3.68Å; D240-H270 IonicContact OD2-CG 3.22Å; D240-H270 IonicContact OD2-ND1 3.89Å; D240-H270 PolarHBondContact OD2-ND1 3.23Å; L242-H270 HydrophobicContact CB-CB 4.5Å; L242-H270 HydrophobicContact CD1-CB 4.05Å; L242-H270 VanDerWaalsContact CD1-CD2 3.45Å; L242-H270 WeakPolarHBondContact CD1-CD2 3.38Å; L242-H270 HydrophobicContact CG-CB 4.42Å; C243-H270 PolarHBondContact SG-CE1 3Å; H270-L272 PolarHBondContact O-N 2.87Å; H270-L272 VanDerWaalsContact O-N 3.15Å |
| 271 | A | 95.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | trans | -90.3 | 68.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V185 H273 H274 D275 | V185-A271 HydrophobicContact CG1-CB 3.5Å; V185-A271 PolarHBondContact O-N 3.36Å; A271-H273 PolarHBondContact O-N 2.68Å; A271-H274 HydrophobicContact CB-CB 4.45Å; A271-H274 CarbonylContact O-C 3.56Å; A271-H274 WeakPolarHBondContact O-CA 3.43Å; A271-H274 PolarHBondContact O-N 3.14Å; A271-D275 PolarHBondContact O-N 3.01Å | ||
| 272 | L | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -51.5 | -30.3 | -176 | -67.8 | 179.2 | 0 | 0 | 0 | 115.1 | I146 L235 I265 Y269 H270 H274 D275 V279 A280 V283 | I146-L272 HydrophobicContact CG2-CB 3.88Å; I146-L272 HydrophobicContact CG2-CD1 4.36Å; I146-L272 HydrophobicContact CG2-CG 4.47Å; L235-L272 HydrophobicContact CB-CD1 4.01Å; I265-L272 HydrophobicContact CB-CD2 4Å; I265-L272 HydrophobicContact CG1-CD1 3.93Å; I265-L272 HydrophobicContact CG1-CD2 4.06Å; I265-L272 HydrophobicContact CG2-CD2 4.33Å; Y269-L272 WeakPolarHBondContact O-CD2 3.48Å; H270-L272 PolarHBondContact O-N 2.87Å; H270-L272 VanDerWaalsContact O-N 3.15Å; L272-H274 VanDerWaalsContact C-N 3.26Å; L272-H274 PolarHBondContact O-N 3.37Å; L272-D275 PolarHBondContact O-N 2.91Å; L272-V279 HydrophobicContact CD2-CG1 4.1Å; L272-A280 WeakPolarHBondContact O-CA 3.29Å; L272-V283 HydrophobicContact CB-CG1 4.45Å; L272-V283 HydrophobicContact CB-CG2 3.72Å; L272-V283 HydrophobicContact CD1-CG2 4.46Å |
| 273 | H | 96.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -76.7 | -12.6 | 178.7 | 57.1 | -75 | 0 | 0 | 0 | 113.4 | I62 H122 I146 A271 A280 V283 | I62-H273 HydrophobicContact CD1-CB 4.03Å; H122-H273 AromaticContact CD2-CE1 3.67Å; H122-H273 AromaticContact CG-CE1 3.55Å; H122-H273 AromaticContact ND1-CE1 3.82Å; I146-H273 HydrophobicContact CD1-CB 4.35Å; A271-H273 PolarHBondContact O-N 2.68Å; H273-A280 WeakPolarHBondContact O-CB 3.22Å; H273-V283 HydrophobicContact CB-CG1 3.99Å |
| 274 | H | 96.2 | Very high | 97.2 | Very high | 33 Ų | 33 | 39.8 Ų | 39.8 | 15% | 0.153 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -127.7 | 25.3 | 172.5 | -60.6 | 147.1 | 0 | 0 | 0 | 111.1 | P58 S186 Q191 A271 L272 | P58-H274 PolarHBondContact O-CE1 3.01Å; P58-H274 PolarHBondContact O-NE2 3.33Å; S186-H274 VanDerWaalsContact CB-O 3.3Å; S186-H274 WeakPolarHBondContact CB-O 3.21Å; S186-H274 PolarHBondContact OG-O 3.41Å; Q191-H274 HydrophobicContact CB-CB 4.23Å; Q191-H274 WeakPolarHBondContact CB-O 3.47Å; Q191-H274 HydrophobicContact CG-CB 4.1Å; Q191-H274 VanDerWaalsContact CG-O 3.3Å; Q191-H274 WeakPolarHBondContact CG-O 3.31Å; A271-H274 HydrophobicContact CB-CB 4.45Å; A271-H274 CarbonylContact O-C 3.56Å; A271-H274 WeakPolarHBondContact O-CA 3.43Å; A271-H274 PolarHBondContact O-N 3.14Å; L272-H274 VanDerWaalsContact C-N 3.26Å; L272-H274 PolarHBondContact O-N 3.37Å |
| 275 | D | 95.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -81.3 | -163.6 | 172 | -157.6 | -13.6 | 0 | 0 | 0 | 109.2 | S186 R187 G268 Y269 A271 L272 V279 | S186-D275 WeakPolarHBondContact OG-CA 3.2Å; R187-D275 WeakPolarHBondContact CB-OD1 3.11Å; R187-D275 IonicContact CZ-OD1 3.87Å; R187-D275 IonicContact CZ-OD2 3.45Å; R187-D275 PolarHBondContact N-OD1 3.23Å; R187-D275 IonicContact NE-OD1 2.64Å; R187-D275 PolarHBondContact NE-OD1 2.72Å; R187-D275 IonicContact NE-OD2 2.82Å; R187-D275 PolarHBondContact NE-OD2 3.45Å; R187-D275 IonicContact NH2-OD1 3.94Å; R187-D275 PolarHBondContact NH2-OD1 3.35Å; R187-D275 IonicContact NH2-OD2 3.61Å; R187-D275 PolarHBondContact NH2-OD2 2.97Å; G268-D275 WeakPolarHBondContact CA-OD2 3.29Å; Y269-D275 PolarHBondContact N-OD2 2.95Å; A271-D275 PolarHBondContact O-N 3.01Å; L272-D275 PolarHBondContact O-N 2.91Å; D275-V279 HydrophobicContact CB-CB 4.23Å; D275-V279 HydrophobicContact CB-CG1 3.9Å |
| 276 | L | 97.6 | Very high | 97.2 | Very high | 50 Ų | 50 | 43 Ų | 43 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -47 | 142.9 | 175.4 | -61.4 | 179 | 0 | 0 | 0 | 112 | R187 D188 E278 V279 A280 | R187-L276 HydrophobicContact CB-CD2 3.92Å; R187-L276 HydrophobicContact CB-CG 4.01Å; D188-L276 HydrophobicContact CB-CD2 4.45Å; L276-E278 PolarHBondContact O-N 3.49Å; L276-V279 WeakPolarHBondContact O-CA 3.3Å; L276-V279 WeakPolarHBondContact O-CB 3.42Å; L276-V279 PolarHBondContact O-N 3.33Å; L276-A280 PolarHBondContact O-N 3.01Å |
| 277 | P | 96.9 | Very high | 97.3 | Very high | 83 Ų | 83 | 34.9 Ų | 34.9 | 54% | 0.539 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -50.5 | -39.5 | -171.8 | -31.2 | 35.9 | 0 | 0 | 0 | 115 | E281 | P277-E281 WeakPolarHBondContact O-CB 3.43Å; P277-E281 PolarHBondContact O-N 3.23Å |
| 278 | E | 96.9 | Very high | 97.4 | Very high | 118 Ų | 118 | 34.2 Ų | 34.2 | 55% | 0.551 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -68.1 | -32.7 | 177.2 | 65 | -84 | -164.7 | 0 | 0 | 113.7 | L276 T282 | L276-E278 PolarHBondContact O-N 3.49Å; E278-T282 WeakPolarHBondContact O-CB 3.47Å; E278-T282 PolarHBondContact O-N 2.77Å; E278-T282 PolarHBondContact O-OG1 3.03Å |
| 279 | V | 97.8 | Very high | 97.4 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 10% | 0.097 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74.6 | -47 | 174.7 | 171.2 | 0 | 0 | 0 | 0 | 110.1 | I265 L272 D275 L276 E281 T282 V283 | I265-V279 HydrophobicContact CG2-CG1 3.79Å; I265-V279 HydrophobicContact CG2-CG2 3.92Å; L272-V279 HydrophobicContact CD2-CG1 4.1Å; D275-V279 HydrophobicContact CB-CB 4.23Å; D275-V279 HydrophobicContact CB-CG1 3.9Å; L276-V279 WeakPolarHBondContact O-CA 3.3Å; L276-V279 WeakPolarHBondContact O-CB 3.42Å; L276-V279 PolarHBondContact O-N 3.33Å; V279-E281 PolarHBondContact O-N 3.47Å; V279-T282 WeakPolarHBondContact O-CB 3.22Å; V279-T282 PolarHBondContact O-N 3.09Å; V279-V283 HydrophobicContact CG1-CG2 4.22Å; V279-V283 WeakPolarHBondContact O-CB 3.42Å; V279-V283 WeakPolarHBondContact O-CG2 3.3Å; V279-V283 PolarHBondContact O-N 3.04Å |
| 280 | A | 97.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.8 | -48.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L272 H273 L276 T282 V283 L284 | L272-A280 WeakPolarHBondContact O-CA 3.29Å; H273-A280 WeakPolarHBondContact O-CB 3.22Å; L276-A280 PolarHBondContact O-N 3.01Å; A280-T282 VanDerWaalsContact C-N 3.34Å; A280-T282 PolarHBondContact O-N 2.74Å; A280-V283 PolarHBondContact O-N 2.98Å; A280-L284 WeakPolarHBondContact O-CB 3.42Å; A280-L284 WeakPolarHBondContact O-CD1 3.42Å; A280-L284 WeakPolarHBondContact O-CG 3.07Å; A280-L284 PolarHBondContact O-N 3.04Å |
| 281 | E | 98.1 | Very high | 97.6 | Very high | 85 Ų | 85 | 33.8 Ų | 33.8 | 40% | 0.397 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59 | -44.1 | 176.4 | 178.5 | 58.1 | -139.8 | 0 | 0 | 112 | R65 P277 V279 V283 L284 K285 | R65-E281 IonicContact CZ-OE1 3.3Å; R65-E281 IonicContact CZ-OE2 2.81Å; R65-E281 IonicContact NH1-OE1 2.72Å; R65-E281 PolarHBondContact NH1-OE1 2.95Å; R65-E281 IonicContact NH1-OE2 3.49Å; R65-E281 PolarHBondContact NH1-OE2 3.12Å; R65-E281 IonicContact NH2-OE1 3.73Å; R65-E281 IonicContact NH2-OE2 3.24Å; R65-E281 PolarHBondContact NH2-OE2 2.88Å; P277-E281 WeakPolarHBondContact O-CB 3.43Å; P277-E281 PolarHBondContact O-N 3.23Å; V279-E281 PolarHBondContact O-N 3.47Å; E281-V283 VanDerWaalsContact C-N 3.34Å; E281-V283 PolarHBondContact O-N 2.61Å; E281-L284 PolarHBondContact O-N 3.31Å; E281-K285 VanDerWaalsContact O-CB 3.29Å; E281-K285 WeakPolarHBondContact O-CB 3.38Å; E281-K285 PolarHBondContact O-N 2.82Å |
| 282 | T | 97.8 | Very high | 97.7 | Very high | 67 Ų | 67 | 35.3 Ų | 35.3 | 41% | 0.411 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 177.6 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | E278 V279 A280 K285 D286 | E278-T282 WeakPolarHBondContact O-CB 3.47Å; E278-T282 PolarHBondContact O-N 2.77Å; E278-T282 PolarHBondContact O-OG1 3.03Å; V279-T282 WeakPolarHBondContact O-CB 3.22Å; V279-T282 PolarHBondContact O-N 3.09Å; A280-T282 VanDerWaalsContact C-N 3.34Å; A280-T282 PolarHBondContact O-N 2.74Å; T282-K285 PolarHBondContact O-N 3.28Å; T282-D286 WeakPolarHBondContact O-CB 3.45Å; T282-D286 PolarHBondContact O-N 2.75Å |
| 283 | V | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -48.4 | 178.8 | 167.5 | 0 | 0 | 0 | 0 | 110.8 | I146 L235 L272 H273 V279 A280 E281 K285 D286 V287 | I146-V283 HydrophobicContact CD1-CG1 4.26Å; L235-V283 HydrophobicContact CD1-CB 4.41Å; L235-V283 HydrophobicContact CD1-CG1 3.82Å; L272-V283 HydrophobicContact CB-CG1 4.45Å; L272-V283 HydrophobicContact CB-CG2 3.72Å; L272-V283 HydrophobicContact CD1-CG2 4.46Å; H273-V283 HydrophobicContact CB-CG1 3.99Å; V279-V283 HydrophobicContact CG1-CG2 4.22Å; V279-V283 WeakPolarHBondContact O-CB 3.42Å; V279-V283 WeakPolarHBondContact O-CG2 3.3Å; V279-V283 PolarHBondContact O-N 3.04Å; A280-V283 PolarHBondContact O-N 2.98Å; E281-V283 VanDerWaalsContact C-N 3.34Å; E281-V283 PolarHBondContact O-N 2.61Å; V283-K285 VanDerWaalsContact C-N 3.3Å; V283-K285 PolarHBondContact O-N 3.05Å; V283-D286 PolarHBondContact O-N 2.81Å; V283-V287 HydrophobicContact CG1-CG2 4.33Å; V283-V287 WeakPolarHBondContact O-CB 3.44Å; V283-V287 WeakPolarHBondContact O-CG2 3.49Å; V283-V287 PolarHBondContact O-N 3.27Å |
| 284 | L | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.8 | -41.1 | 178.6 | -73 | 164 | 0 | 0 | 0 | 112.1 | E61 I62 A280 E281 T288 | E61-L284 HydrophobicContact CB-CD2 4.41Å; E61-L284 HydrophobicContact CG-CD1 3.84Å; E61-L284 HydrophobicContact CG-CD2 4.14Å; E61-L284 WeakPolarHBondContact OE1-CD1 3.48Å; I62-L284 HydrophobicContact CB-CD2 4.23Å; I62-L284 HydrophobicContact CG1-CD2 3.38Å; A280-L284 WeakPolarHBondContact O-CB 3.42Å; A280-L284 WeakPolarHBondContact O-CD1 3.42Å; A280-L284 WeakPolarHBondContact O-CG 3.07Å; A280-L284 PolarHBondContact O-N 3.04Å; E281-L284 PolarHBondContact O-N 3.31Å; L284-T288 VanDerWaalsContact O-CB 3.31Å; L284-T288 WeakPolarHBondContact O-CB 2.97Å; L284-T288 PolarHBondContact O-N 3.49Å; L284-T288 PolarHBondContact O-OG1 3.19Å |
| 285 | K | 98.3 | Very high | 97.8 | Very high | 127 Ų | 127 | 43.1 Ų | 43.1 | 55% | 0.552 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.6 | -49.2 | 174 | -178.2 | -178.6 | 174.9 | -175 | 0 | 111.5 | E281 T282 V283 V287 T288 S289 | E281-K285 VanDerWaalsContact O-CB 3.29Å; E281-K285 WeakPolarHBondContact O-CB 3.38Å; E281-K285 PolarHBondContact O-N 2.82Å; T282-K285 PolarHBondContact O-N 3.28Å; V283-K285 VanDerWaalsContact C-N 3.3Å; V283-K285 PolarHBondContact O-N 3.05Å; K285-V287 PolarHBondContact O-N 3.07Å; K285-T288 PolarHBondContact O-N 3.22Å; K285-S289 WeakPolarHBondContact O-CB 3.4Å; K285-S289 PolarHBondContact O-N 3.45Å; K285-S289 PolarHBondContact O-OG 2.91Å |
| 286 | D | 98.3 | Very high | 97.3 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 19% | 0.187 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -44.1 | -179.8 | -97.6 | 20.4 | 0 | 0 | 0 | 111.7 | L235 K261 T263 T282 V283 W290 | L235-D286 HydrophobicContact CD1-CB 4.47Å; L235-D286 HydrophobicContact CD2-CB 4.35Å; K261-D286 IonicContact NZ-OD2 3.12Å; K261-D286 PolarHBondContact NZ-OD2 2.87Å; T263-D286 PolarHBondContact OG1-OD2 3.28Å; T282-D286 WeakPolarHBondContact O-CB 3.45Å; T282-D286 PolarHBondContact O-N 2.75Å; V283-D286 PolarHBondContact O-N 2.81Å; D286-W290 WeakPolarHBondContact O-CB 3.35Å; D286-W290 PolarHBondContact O-N 2.91Å |
| 287 | V | 98.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.1 | -52 | 174.2 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | I62 V120 V144 I146 L235 V283 K285 I291 | I62-V287 HydrophobicContact CG2-CG1 4.33Å; V120-V287 HydrophobicContact CG2-CG1 4.4Å; V144-V287 HydrophobicContact CG1-CB 4.43Å; V144-V287 HydrophobicContact CG1-CG1 4.26Å; V144-V287 HydrophobicContact CG1-CG2 3.85Å; I146-V287 HydrophobicContact CD1-CG2 4.1Å; L235-V287 HydrophobicContact CD1-CG2 3.86Å; V283-V287 HydrophobicContact CG1-CG2 4.33Å; V283-V287 WeakPolarHBondContact O-CB 3.44Å; V283-V287 WeakPolarHBondContact O-CG2 3.49Å; V283-V287 PolarHBondContact O-N 3.27Å; K285-V287 PolarHBondContact O-N 3.07Å; V287-I291 HydrophobicContact CG1-CD1 4.12Å; V287-I291 WeakPolarHBondContact O-CG1 3.37Å; V287-I291 PolarHBondContact O-N 3.35Å |
| 288 | T | 98.4 | Very high | 95.2 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -50.8 | -176.1 | -57.7 | 0 | 0 | 0 | 0 | 111 | L66 R69 L284 K285 I291 T292 | L66-T288 HydrophobicContact CD2-CG2 4.4Å; R69-T288 HydrophobicContact CG-CG2 3.88Å; L284-T288 VanDerWaalsContact O-CB 3.31Å; L284-T288 WeakPolarHBondContact O-CB 2.97Å; L284-T288 PolarHBondContact O-N 3.49Å; L284-T288 PolarHBondContact O-OG1 3.19Å; K285-T288 PolarHBondContact O-N 3.22Å; T288-I291 PolarHBondContact O-N 3.39Å; T288-T292 HydrophobicContact CG2-CG2 4.4Å; T288-T292 WeakPolarHBondContact O-CG2 3.46Å; T288-T292 PolarHBondContact O-N 2.93Å; T288-T292 PolarHBondContact O-OG1 3.37Å; T288-T292 VanDerWaalsContact O-OG1 3.08Å |
| 289 | S | 98.2 | Very high | 93.4 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | -179.3 | -71.9 | 0 | 0 | 0 | 0 | 111.8 | K285 I291 T292 D293 | K285-S289 WeakPolarHBondContact O-CB 3.4Å; K285-S289 PolarHBondContact O-N 3.45Å; K285-S289 PolarHBondContact O-OG 2.91Å; S289-I291 VanDerWaalsContact C-N 3.3Å; S289-I291 PolarHBondContact O-N 3.24Å; S289-T292 WeakPolarHBondContact CA-OG1 3.37Å; S289-T292 PolarHBondContact O-N 3.5Å; S289-T292 VanDerWaalsContact O-N 3.15Å; S289-T292 PolarHBondContact O-OG1 3.47Å; S289-D293 WeakPolarHBondContact O-CB 3.35Å; S289-D293 PolarHBondContact O-N 2.95Å |
| 290 | W | 98.7 | Very high | 91.1 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 5% | 0.049 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -39.2 | -178.4 | -171 | 97.5 | 0 | 0 | 0 | 112.5 | F118 V144 P231 L233 D286 R294 | F118-W290 HydrophobicContact CD1-CZ3 4.19Å; F118-W290 HydrophobicContact CE1-CZ3 4.23Å; V144-W290 HydrophobicContact CG2-CD2 4.39Å; V144-W290 HydrophobicContact CG2-CE3 3.59Å; V144-W290 HydrophobicContact CG2-CZ3 3.87Å; P231-W290 HydrophobicContact CB-CH2 4Å; P231-W290 HydrophobicContact CB-CZ2 4.17Å; L233-W290 HydrophobicContact CB-CD2 3.76Å; L233-W290 HydrophobicContact CB-CE3 4.37Å; L233-W290 HydrophobicContact CB-CG 3.86Å; L233-W290 HydrophobicContact CB-CZ2 4.35Å; L233-W290 HydrophobicContact CD2-CB 3.75Å; L233-W290 HydrophobicContact CD2-CD2 4.46Å; L233-W290 HydrophobicContact CD2-CG 3.84Å; L233-W290 HydrophobicContact CG-CG 4.31Å; D286-W290 WeakPolarHBondContact O-CB 3.35Å; D286-W290 PolarHBondContact O-N 2.91Å; W290-R294 VanDerWaalsContact CZ2-CZ 3.46Å; W290-R294 VanDerWaalsContact NE1-CZ 3.27Å; W290-R294 PolarHBondContact O-NH1 2.94Å |
| 291 | I | 98.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.3 | -47.1 | 174.4 | -67 | 172.7 | 0 | 0 | 0 | 110.4 | L66 L71 F118 V120 V144 V287 T288 S289 D293 R294 L295 | L66-I291 HydrophobicContact CD1-CD1 4.11Å; L66-I291 HydrophobicContact CD2-CB 4.41Å; L66-I291 HydrophobicContact CD2-CD1 3.85Å; L66-I291 HydrophobicContact CD2-CG2 4.5Å; L71-I291 HydrophobicContact CD2-CG2 3.41Å; L71-I291 VanDerWaalsContact CD2-CG2 3.41Å; F118-I291 HydrophobicContact CD1-CG1 4.19Å; F118-I291 HydrophobicContact CD1-CG2 4.17Å; F118-I291 HydrophobicContact CD2-CG2 3.95Å; F118-I291 HydrophobicContact CE1-CG2 4.23Å; F118-I291 HydrophobicContact CE2-CG2 4.02Å; F118-I291 HydrophobicContact CG-CG1 4.48Å; F118-I291 HydrophobicContact CG-CG2 4.03Å; F118-I291 HydrophobicContact CZ-CG2 4.15Å; V120-I291 HydrophobicContact CG2-CD1 3.94Å; V144-I291 HydrophobicContact CG2-CD1 4.05Å; V144-I291 HydrophobicContact CG2-CG1 3.88Å; V287-I291 HydrophobicContact CG1-CD1 4.12Å; V287-I291 WeakPolarHBondContact O-CG1 3.37Å; V287-I291 PolarHBondContact O-N 3.35Å; T288-I291 PolarHBondContact O-N 3.39Å; S289-I291 VanDerWaalsContact C-N 3.3Å; S289-I291 PolarHBondContact O-N 3.24Å; I291-D293 VanDerWaalsContact C-N 3.3Å; I291-D293 PolarHBondContact O-N 3.48Å; I291-R294 PolarHBondContact O-N 2.9Å; I291-R294 VanDerWaalsContact O-N 3.11Å; I291-L295 PolarHBondContact O-N 3.08Å |
| 292 | T | 97.7 | Very high | 86 | Confident | 34 Ų | 34 | 59.7 Ų | 59.7 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.9 | -32.6 | -176.5 | 53 | 0 | 0 | 0 | 0 | 113.6 | R69 T288 S289 R294 L295 | R69-T292 HydrophobicContact CB-CG2 3.86Å; R69-T292 HydrophobicContact CG-CG2 3.79Å; T288-T292 HydrophobicContact CG2-CG2 4.4Å; T288-T292 WeakPolarHBondContact O-CG2 3.46Å; T288-T292 PolarHBondContact O-N 2.93Å; T288-T292 PolarHBondContact O-OG1 3.37Å; T288-T292 VanDerWaalsContact O-OG1 3.08Å; S289-T292 WeakPolarHBondContact CA-OG1 3.37Å; S289-T292 PolarHBondContact O-N 3.5Å; S289-T292 VanDerWaalsContact O-N 3.15Å; S289-T292 PolarHBondContact O-OG1 3.47Å; T292-R294 PolarHBondContact O-N 3.39Å; T292-L295 HydrophobicContact CG2-CD1 4.19Å; T292-L295 WeakPolarHBondContact O-CB 3.26Å; T292-L295 PolarHBondContact O-N 3.36Å |
| 293 | D | 97.8 | Very high | 83.5 | Confident | 126 Ų | 126 | 65.3 Ų | 65.3 | 67% | 0.674 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.7 | 178 | -67.6 | -12.6 | 0 | 0 | 0 | 112.5 | S289 I291 | S289-D293 WeakPolarHBondContact O-CB 3.35Å; S289-D293 PolarHBondContact O-N 2.95Å; I291-D293 VanDerWaalsContact C-N 3.3Å; I291-D293 PolarHBondContact O-N 3.48Å |
| 294 | R | 97.6 | Very high | 81 | Confident | 57 Ų | 57 | 74.1 Ų | 74.1 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 7.1 | 178.1 | -73.3 | 167.1 | -175.6 | 68.1 | 6.4 | 113.3 | F118 T141 D259 W290 I291 T292 | F118-R294 HydrophobicContact CE1-CB 3.92Å; F118-R294 HydrophobicContact CZ-CB 3.82Å; T141-R294 HydrophobicContact CG2-CB 4.39Å; D259-R294 IonicContact OD1-CZ 2.71Å; D259-R294 IonicContact OD1-NE 3.19Å; D259-R294 IonicContact OD1-NH2 3.7Å; D259-R294 PolarHBondContact OD1-NH2 3.24Å; D259-R294 IonicContact OD2-CZ 3.66Å; D259-R294 VanDerWaalsContact OD2-CZ 3.25Å; D259-R294 IonicContact OD2-NE 3.61Å; D259-R294 PolarHBondContact OD2-NE 3.15Å; D259-R294 IonicContact OD2-NH2 3.38Å; D259-R294 PolarHBondContact OD2-NH2 3.3Å; W290-R294 VanDerWaalsContact CZ2-CZ 3.46Å; W290-R294 VanDerWaalsContact NE1-CZ 3.27Å; W290-R294 PolarHBondContact O-NH1 2.94Å; I291-R294 PolarHBondContact O-N 2.9Å; I291-R294 VanDerWaalsContact O-N 3.11Å; T292-R294 PolarHBondContact O-N 3.39Å |
| 295 | L | 95.9 | Very high | 78.8 | Confident | 17 Ų | 17 | 77.8 Ų | 77.8 | 9% | 0.089 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -74.2 | 146 | 173.8 | -66.1 | 175.3 | 0 | 0 | 0 | 110.4 | R43 A44 L71 F118 I291 T292 | R43-L295 HydrophobicContact CB-CD1 4.49Å; R43-L295 HydrophobicContact CB-CD2 4.45Å; A44-L295 HydrophobicContact CB-CD2 3.54Å; L71-L295 HydrophobicContact CD1-CD1 3.97Å; F118-L295 HydrophobicContact CE2-CD2 4.07Å; I291-L295 PolarHBondContact O-N 3.08Å; T292-L295 HydrophobicContact CG2-CD1 4.19Å; T292-L295 WeakPolarHBondContact O-CB 3.26Å; T292-L295 PolarHBondContact O-N 3.36Å |
| 296 | P | 86.6 | Confident | 76.2 | Confident | 64 Ų | 64 | 80.7 Ų | 80.7 | 42% | 0.416 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 149.3 | 166.8 | -23.3 | 32.6 | 0 | 0 | 0 | 110.8 | R43 P116 S298 | R43-P296 PolarHBondContact NH2-O 3.07Å; R43-P296 VanDerWaalsContact NH2-O 3.11Å; P116-P296 HydrophobicContact CG-CG 3.59Å; P296-S298 PolarHBondContact O-N 3.2Å |
| 297 | P | 79.7 | Confident | 75.1 | Confident | 121 Ų | 121 | 83 Ų | 83 | 79% | 0.786 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 136.7 | 171 | -23 | 31.7 | 0 | 0 | 0 | 109.8 | S299 | P297-S299 PolarHBondContact O-N 2.63Å; P297-S299 VanDerWaalsContact O-N 3.11Å |
| 298 | S | 70.3 | Confident | 73.9 | Confident | 82 Ų | 82 | 87.3 Ų | 87.3 | 57% | 0.573 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 120.8 | 173.7 | 53.6 | 0 | 0 | 0 | 0 | 108.4 | P296 T300 | P296-S298 PolarHBondContact O-N 3.2Å; S298-T300 PolarHBondContact O-N 3.36Å |
| 299 | S | 58.5 | Low | 72.5 | Confident | 118 Ų | 118 | 91.5 Ų | 91.5 | 83% | 0.825 | 56% | 0.563 | S | S | * | * | trans | -67.5 | 86.9 | 167.3 | 52.2 | 0 | 0 | 0 | 0 | 107.9 | P297 P301 | P297-S299 PolarHBondContact O-N 2.63Å; P297-S299 VanDerWaalsContact O-N 3.11Å; S299-P301 WeakPolarHBondContact O-CD 3.44Å | ||
| 300 | T | 48.8 | Very low | 71 | Confident | 106 Ų | 106 | 94.1 Ų | 94.1 | 65% | 0.65 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 123.9 | 167.2 | -41.9 | 0 | 0 | 0 | 0 | 106.4 | S298 | S298-T300 PolarHBondContact O-N 3.36Š|
| 301 | P | 48.6 | Very low | 69.3 | Low | 106 Ų | 106 | 99.1 Ų | 99.1 | 69% | 0.688 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 137.6 | 166.1 | -17.7 | 29.8 | 0 | 0 | 0 | 107.3 | S299 Q303 | S299-P301 WeakPolarHBondContact O-CD 3.44Å; P301-Q303 PolarHBondContact O-N 2.91Å |
| 302 | P | 41.8 | Very low | 67.3 | Low | 116 Ų | 116 | 105.7 Ų | 105.7 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 123.2 | 172.3 | 19.7 | -28.3 | 0 | 0 | 0 | 107.4 | Q304 | P302-Q304 PolarHBondContact O-N 2.64Š|
| 303 | Q | 44.3 | Very low | 65.1 | Low | 185 Ų | 185 | 110.9 Ų | 110.9 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | trans | -52 | 112 | 167.4 | -79 | -179.6 | -5 | 0 | 0 | 105.5 | P301 G305 | P301-Q303 PolarHBondContact O-N 2.91Å; Q303-G305 PolarHBondContact O-N 3.09Å | ||
| 304 | Q | 45.8 | Very low | 62.6 | Low | 187 Ų | 187 | 109.7 Ų | 109.7 | 87% | 0.874 | 68% | 0.682 | S | S | * | * | trans | -63.3 | 98.6 | 166.1 | -75.3 | -176.1 | 3.5 | 0 | 0 | 104.9 | P302 S306 | P302-Q304 PolarHBondContact O-N 2.64Å; Q304-S306 PolarHBondContact O-N 3.01Å | ||
| 305 | G | 53.2 | Low | 59.7 | Low | 79 Ų | 79 | 114.1 Ų | 114.1 | 81% | 0.814 | 72% | 0.721 | S | S | * | * | trans | -60.8 | 120.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q303 | Q303-G305 PolarHBondContact O-N 3.09Š| ||
| 306 | S | 42.9 | Very low | 56.4 | Low | 188 Ų | 188 | 122.9 Ų | 122.9 | 100% | 1.315 | 78% | 0.778 | S | S | * | * | trans | -133 | 0 | 160.7 | 55.7 | 0 | 0 | 0 | 0 | 107.4 | Q304 | Q304-S306 PolarHBondContact O-N 3.01Š|
Retrieved 306 of 306 residues in 161.9 ms
(Link to these results)