| 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 | R | 91.8 | Very high | 90.9 | Very high | 157 Ų | 157 | 73.5 Ų | 73.5 | 59% | 0.592 | 40% | 0.401 | S | S | * | . | 0 | 151.4 | 0 | -78.1 | 177.6 | -176.4 | 176.3 | 2 | 108.4 | L8 C40 T41 F43 | R1-L8 HydrophobicContact CB-CD2 4.1Å; R1-C40 CarbonylContact O-C 3.54Å; R1-C40 WeakPolarHBondContact O-CA 3.26Å; R1-T41 PolarHBondContact N-O 3.45Å; R1-T41 PolarHBondContact O-N 2.82Å; R1-F43 HydrophobicContact CG-CE1 4.05Å | |||
| 2 | W | 93.7 | Very high | 89.8 | Confident | 57 Ų | 57 | 73.5 Ų | 73.5 | 22% | 0.216 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 144 | 176.6 | -74.8 | 85.9 | 0 | 0 | 0 | 110.4 | I9 G22 L24 Q39 C40 | W2-I9 HydrophobicContact CB-CD1 3.99Å; W2-I9 PolarHBondContact O-N 2.84Å; W2-G22 PolarHBondContact NE1-O 3.02Å; W2-L24 HydrophobicContact CB-CB 4.49Å; W2-L24 HydrophobicContact CB-CD2 4.07Å; W2-L24 HydrophobicContact CD2-CB 3.73Å; W2-L24 HydrophobicContact CD2-CD2 4.24Å; W2-L24 HydrophobicContact CE3-CB 4.38Å; W2-L24 HydrophobicContact CE3-CD2 4.38Å; W2-L24 HydrophobicContact CG-CB 3.76Å; W2-L24 HydrophobicContact CG-CD2 4.13Å; W2-L24 HydrophobicContact CG-CG 4.42Å; W2-L24 HydrophobicContact CZ2-CB 4.32Å; W2-Q39 WeakPolarHBondContact CA-O 3.37Å; W2-C40 HydrophobicContact CD2-CB 3.83Å; W2-C40 HydrophobicContact CE3-CB 3.95Å; W2-C40 HydrophobicContact CH2-CB 3.87Å; W2-C40 HydrophobicContact CZ2-CB 3.72Å; W2-C40 HydrophobicContact CZ3-CB 3.98Å |
| 3 | S | 93.9 | Very high | 88.8 | Confident | 13 Ų | 13 | 74.8 Ų | 74.8 | 9% | 0.091 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 151 | 171.8 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | T7 Y38 Q39 | S3-T7 CarbonylContact C-O 3.59Å; S3-T7 WeakPolarHBondContact CA-O 3.42Å; S3-T7 VanDerWaalsContact CB-O 3.26Å; S3-T7 WeakPolarHBondContact CB-O 3.45Å; S3-Y38 VanDerWaalsContact O-CA 3.26Å; S3-Y38 WeakPolarHBondContact O-CA 3.45Å; S3-Q39 PolarHBondContact N-O 2.94Å; S3-Q39 PolarHBondContact O-N 3.39Å; S3-Q39 PolarHBondContact OG-O 3.23Å |
| 4 | L | 94.2 | Very high | 88.3 | Confident | 21 Ų | 21 | 71.2 Ų | 71.2 | 11% | 0.11 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.4 | 172.3 | 172.3 | 59 | 0 | 0 | 0 | 108.1 | G6 T7 I9 Q33 M37 Y38 | L4-G6 PolarHBondContact O-N 2.8Å; L4-G6 VanDerWaalsContact O-N 3.13Å; L4-T7 PolarHBondContact N-O 3.37Å; L4-T7 PolarHBondContact O-N 2.87Å; L4-I9 HydrophobicContact CB-CD1 4.03Å; L4-I9 HydrophobicContact CB-CG1 3.95Å; L4-Q33 WeakPolarHBondContact CD2-O 3.4Å; L4-M37 CarbonylContact C-O 3.59Å; L4-M37 WeakPolarHBondContact CA-O 3.46Å; L4-Y38 HydrophobicContact CB-CE1 4.29Å; L4-Y38 HydrophobicContact CD1-CD2 4Å; L4-Y38 HydrophobicContact CD1-CE1 4.2Å; L4-Y38 HydrophobicContact CD1-CE2 3.62Å; L4-Y38 HydrophobicContact CD1-CG 4.43Å |
| 5 | N | 92.4 | Very high | 88 | Confident | 106 Ų | 106 | 80.1 Ų | 80.1 | 57% | 0.567 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 32 | -177.1 | -59.8 | -31.2 | 0 | 0 | 0 | 113.4 | T7 G36 M37 | N5-T7 VanDerWaalsContact C-N 3.33Å; N5-G36 WeakPolarHBondContact OD1-CA 3.06Å; N5-M37 PolarHBondContact N-O 3.26Å; N5-M37 PolarHBondContact OD1-N 2.87Å |
| 6 | G | 88.8 | Confident | 88.3 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 71% | 0.711 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -14 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L4 | L4-G6 PolarHBondContact O-N 2.8Å; L4-G6 VanDerWaalsContact O-N 3.13Å |
| 7 | T | 92.1 | Very high | 88.4 | Confident | 102 Ų | 102 | 73.9 Ų | 73.9 | 63% | 0.626 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 132.5 | 178.7 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | S3 L4 N5 I9 | S3-T7 CarbonylContact C-O 3.59Å; S3-T7 WeakPolarHBondContact CA-O 3.42Å; S3-T7 VanDerWaalsContact CB-O 3.26Å; S3-T7 WeakPolarHBondContact CB-O 3.45Å; L4-T7 PolarHBondContact N-O 3.37Å; L4-T7 PolarHBondContact O-N 2.87Å; N5-T7 VanDerWaalsContact C-N 3.33Å; T7-I9 PolarHBondContact O-N 2.89Å |
| 8 | L | 91.7 | Very high | 88.6 | Confident | 106 Ų | 106 | 73.3 Ų | 73.3 | 56% | 0.555 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 134.4 | 176.6 | -80.9 | 167.3 | 0 | 0 | 0 | 111 | R1 D10 | R1-L8 HydrophobicContact CB-CD2 4.1Å; L8-D10 PolarHBondContact O-N 2.55Å |
| 9 | I | 91.1 | Very high | 88.7 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 11% | 0.113 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 119.3 | 176.5 | -62.7 | 173.9 | 0 | 0 | 0 | 108.4 | W2 L4 T7 L11 L24 Y38 | W2-I9 HydrophobicContact CB-CD1 3.99Å; W2-I9 PolarHBondContact O-N 2.84Å; L4-I9 HydrophobicContact CB-CD1 4.03Å; L4-I9 HydrophobicContact CB-CG1 3.95Å; T7-I9 PolarHBondContact O-N 2.89Å; I9-L11 HydrophobicContact CG2-CD2 4.06Å; I9-L24 HydrophobicContact CD1-CD2 3.49Å; I9-L24 VanDerWaalsContact CD1-CD2 3.49Å; I9-Y38 HydrophobicContact CD1-CD1 3.76Å; I9-Y38 HydrophobicContact CD1-CE1 3.58Å |
| 10 | D | 85.1 | Confident | 88.7 | Confident | 94 Ų | 94 | 74.1 Ų | 74.1 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 124.6 | 168.7 | -177.1 | 14.1 | 0 | 0 | 0 | 109.9 | L8 G12 S13 | L8-D10 PolarHBondContact O-N 2.55Å; D10-G12 PolarHBondContact OD1-N 2.8Å; D10-S13 VanDerWaalsContact CG-OG 3.29Å; D10-S13 WeakPolarHBondContact OD2-CB 3.38Å; D10-S13 PolarHBondContact OD2-OG 2.99Å |
| 11 | L | 84.8 | Confident | 88.6 | Confident | 62 Ų | 62 | 74.6 Ų | 74.6 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -98 | -8.2 | 178.9 | -61.1 | 175.6 | 0 | 0 | 0 | 112.3 | I9 R17 M19 L24 | I9-L11 HydrophobicContact CG2-CD2 4.06Å; L11-R17 HydrophobicContact CD2-CB 3.99Å; L11-M19 HydrophobicContact CD1-CB 3.66Å; L11-M19 HydrophobicContact CD1-CE 3.71Å; L11-L24 HydrophobicContact CD2-CD1 3.84Å |
| 12 | G | 78 | Confident | 88.4 | Confident | 73 Ų | 73 | 69.2 Ų | 69.2 | 75% | 0.753 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -87 | -28.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D10 | D10-G12 PolarHBondContact OD1-N 2.8Š|
| 13 | S | 76.6 | Confident | 88.4 | Confident | 91 Ų | 91 | 69.8 Ų | 69.8 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -95.5 | -26.5 | -174.4 | 51.1 | 0 | 0 | 0 | 0 | 114.6 | D10 | D10-S13 VanDerWaalsContact CG-OG 3.29Å; D10-S13 WeakPolarHBondContact OD2-CB 3.38Å; D10-S13 PolarHBondContact OD2-OG 2.99Å |
| 14 | D | 81.9 | Confident | 88.3 | Confident | 24 Ų | 24 | 70.6 Ų | 70.6 | 13% | 0.128 | 44% | 0.44 | C | S | . | . | trans | -112.3 | 101.9 | -179.3 | -173.9 | -5.3 | 0 | 0 | 0 | 111.2 | R16 R17 | D14-R16 PolarHBondContact O-N 2.97Å; D14-R16 VanDerWaalsContact OD1-CB 3.23Å; D14-R16 WeakPolarHBondContact OD1-CB 3.03Å; D14-R16 WeakPolarHBondContact OD1-CG 3.49Å; D14-R16 IonicContact OD1-CZ 2.82Å; D14-R16 PolarHBondContact OD1-N 2.93Å; D14-R16 IonicContact OD1-NE 3.88Å; D14-R16 PolarHBondContact OD1-NE 2.92Å; D14-R16 IonicContact OD1-NH2 2.8Å; D14-R16 IonicContact OD2-CZ 3.82Å; D14-R16 IonicContact OD2-NE 3.24Å; D14-R16 PolarHBondContact OD2-NE 2.9Å; D14-R16 IonicContact OD2-NH2 2.8Å; D14-R16 PolarHBondContact OD2-NH2 2.89Å; D14-R17 HydrophobicContact CB-CG 4.45Å; D14-R17 PolarHBondContact O-N 3.15Å; D14-R17 IonicContact OD2-CZ 2.64Å; D14-R17 IonicContact OD2-NE 2.67Å; D14-R17 PolarHBondContact OD2-NE 3.44Å | ||
| 15 | Y | 84.6 | Confident | 88.2 | Confident | 204 Ų | 204 | 72.8 Ų | 72.8 | 80% | 0.8 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.4 | -179 | 66.6 | -90.2 | 0 | 0 | 0 | 114.2 | R17 | Y15-R17 VanDerWaalsContact C-N 3.34Š|
| 16 | R | 92.3 | Very high | 88.2 | Confident | 24 Ų | 24 | 69.2 Ų | 69.2 | 9% | 0.091 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -27.4 | 176 | -61.9 | -177.7 | -55.8 | 126.7 | 6 | 112.3 | D14 R27 N28 D34 | D14-R16 PolarHBondContact O-N 2.97Å; D14-R16 VanDerWaalsContact OD1-CB 3.23Å; D14-R16 WeakPolarHBondContact OD1-CB 3.03Å; D14-R16 WeakPolarHBondContact OD1-CG 3.49Å; D14-R16 IonicContact OD1-CZ 2.82Å; D14-R16 PolarHBondContact OD1-N 2.93Å; D14-R16 IonicContact OD1-NE 3.88Å; D14-R16 PolarHBondContact OD1-NE 2.92Å; D14-R16 IonicContact OD1-NH2 2.8Å; D14-R16 IonicContact OD2-CZ 3.82Å; D14-R16 IonicContact OD2-NE 3.24Å; D14-R16 PolarHBondContact OD2-NE 2.9Å; D14-R16 IonicContact OD2-NH2 2.8Å; D14-R16 PolarHBondContact OD2-NH2 2.89Å; R16-R27 WeakPolarHBondContact CB-O 3.27Å; R16-R27 PolarHBondContact O-N 3.16Å; R16-N28 PolarHBondContact NH1-O 3.16Å; R16-D34 IonicContact CZ-OD2 3.68Å; R16-D34 IonicContact NH1-OD2 3.79Å; R16-D34 PolarHBondContact NH1-OD2 3.47Å; R16-D34 IonicContact NH2-OD1 3.12Å; R16-D34 IonicContact NH2-OD2 3.4Å |
| 17 | R | 90.6 | Very high | 88.3 | Confident | 32 Ų | 32 | 73.5 Ų | 73.5 | 12% | 0.121 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.4 | -173.8 | -62.9 | 177.8 | 176 | 173.8 | 1.2 | 109.5 | L11 D14 Y15 I25 I26 Q33 D34 | L11-R17 HydrophobicContact CD2-CB 3.99Å; D14-R17 HydrophobicContact CB-CG 4.45Å; D14-R17 PolarHBondContact O-N 3.15Å; D14-R17 IonicContact OD2-CZ 2.64Å; D14-R17 IonicContact OD2-NE 2.67Å; D14-R17 PolarHBondContact OD2-NE 3.44Å; Y15-R17 VanDerWaalsContact C-N 3.34Å; R17-I25 WeakPolarHBondContact CA-O 3.43Å; R17-I26 HydrophobicContact CG-CG1 4.24Å; R17-I26 HydrophobicContact CG-CG2 4.07Å; R17-Q33 PolarHBondContact NH2-O 2.97Å; R17-Q33 VanDerWaalsContact NH2-O 3.09Å; R17-D34 IonicContact CZ-OD1 2.66Å; R17-D34 VanDerWaalsContact CZ-OD1 3.31Å; R17-D34 IonicContact NE-OD1 3.48Å; R17-D34 PolarHBondContact NE-OD1 3.28Å; R17-D34 VanDerWaalsContact NE-OD1 3.17Å; R17-D34 IonicContact NH2-OD1 2.89Å; R17-D34 PolarHBondContact NH2-OD1 2.96Å |
| 18 | H | 90.5 | Very high | 88.1 | Confident | 62 Ų | 62 | 75.2 Ų | 75.2 | 29% | 0.287 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 162.2 | 172.2 | 64.2 | -74.5 | 0 | 0 | 0 | 110.6 | I25 | H18-I25 WeakPolarHBondContact CE1-CG2 3.33Å; H18-I25 PolarHBondContact N-O 2.79Å; H18-I25 PolarHBondContact O-N 3.11Å |
| 19 | M | 90.8 | Very high | 87.9 | Confident | 88 Ų | 88 | 74.3 Ų | 74.3 | 43% | 0.433 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 130.6 | -178.9 | -178.5 | 169.1 | 45.7 | 0 | 0 | 110 | L11 S23 | L11-M19 HydrophobicContact CD1-CB 3.66Å; L11-M19 HydrophobicContact CD1-CE 3.71Å; M19-S23 VanDerWaalsContact CA-O 3.27Å; M19-S23 WeakPolarHBondContact CA-O 3.42Å |
| 20 | S | 89.6 | Confident | 87.7 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 52% | 0.517 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 126.6 | 176.7 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | G22 S23 | S20-G22 PolarHBondContact O-N 3.07Å; S20-G22 VanDerWaalsContact O-N 3.14Å; S20-S23 PolarHBondContact N-O 3.22Å; S20-S23 WeakPolarHBondContact O-CB 3.44Å; S20-S23 PolarHBondContact O-N 3.48Å |
| 21 | G | 86.9 | Confident | 87.7 | Confident | 85 Ų | 85 | 77.2 Ų | 77.2 | 88% | 0.876 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 30.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S23 | G21-S23 PolarHBondContact O-N 2.98Š|
| 22 | G | 87.4 | Confident | 87.7 | Confident | 44 Ų | 44 | 81 Ų | 81 | 45% | 0.454 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -8.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | W2 S20 | W2-G22 PolarHBondContact NE1-O 3.02Å; S20-G22 PolarHBondContact O-N 3.07Å; S20-G22 VanDerWaalsContact O-N 3.14Å |
| 23 | S | 92.2 | Very high | 88.2 | Confident | 69 Ų | 69 | 83 Ų | 83 | 48% | 0.483 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.3 | 174.6 | -60.9 | 0 | 0 | 0 | 0 | 111 | M19 S20 G21 | M19-S23 VanDerWaalsContact CA-O 3.27Å; M19-S23 WeakPolarHBondContact CA-O 3.42Å; S20-S23 PolarHBondContact N-O 3.22Å; S20-S23 WeakPolarHBondContact O-CB 3.44Å; S20-S23 PolarHBondContact O-N 3.48Å; G21-S23 PolarHBondContact O-N 2.98Å |
| 24 | L | 92.7 | Very high | 88.8 | Confident | 31 Ų | 31 | 78.6 Ų | 78.6 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 124.6 | 169.5 | 178.8 | 66.6 | 0 | 0 | 0 | 109.5 | W2 I9 L11 I26 Y38 | W2-L24 HydrophobicContact CB-CB 4.49Å; W2-L24 HydrophobicContact CB-CD2 4.07Å; W2-L24 HydrophobicContact CD2-CB 3.73Å; W2-L24 HydrophobicContact CD2-CD2 4.24Å; W2-L24 HydrophobicContact CE3-CB 4.38Å; W2-L24 HydrophobicContact CE3-CD2 4.38Å; W2-L24 HydrophobicContact CG-CB 3.76Å; W2-L24 HydrophobicContact CG-CD2 4.13Å; W2-L24 HydrophobicContact CG-CG 4.42Å; W2-L24 HydrophobicContact CZ2-CB 4.32Å; I9-L24 HydrophobicContact CD1-CD2 3.49Å; I9-L24 VanDerWaalsContact CD1-CD2 3.49Å; L11-L24 HydrophobicContact CD2-CD1 3.84Å; L24-I26 HydrophobicContact CD2-CD1 4.08Å; L24-I26 HydrophobicContact CD2-CG1 4.25Å; L24-I26 HydrophobicContact CG-CD1 4.44Å; L24-I26 HydrophobicContact CG-CG1 4.06Å; L24-Y38 HydrophobicContact CD2-CD1 3.73Å; L24-Y38 HydrophobicContact CD2-CE1 3.68Å |
| 25 | I | 91.8 | Very high | 89.2 | Confident | 66 Ų | 66 | 79.7 Ų | 79.7 | 34% | 0.338 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.9 | 177.3 | -57.8 | 170.8 | 0 | 0 | 0 | 107.8 | R17 H18 | R17-I25 WeakPolarHBondContact CA-O 3.43Å; H18-I25 WeakPolarHBondContact CE1-CG2 3.33Å; H18-I25 PolarHBondContact N-O 2.79Å; H18-I25 PolarHBondContact O-N 3.11Å |
| 26 | I | 92.4 | Very high | 89.6 | Confident | 31 Ų | 31 | 70.5 Ų | 70.5 | 16% | 0.159 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 115.4 | 176.9 | -47.4 | -180 | 0 | 0 | 0 | 107.8 | R17 L24 L29 Y38 | R17-I26 HydrophobicContact CG-CG1 4.24Å; R17-I26 HydrophobicContact CG-CG2 4.07Å; L24-I26 HydrophobicContact CD2-CD1 4.08Å; L24-I26 HydrophobicContact CD2-CG1 4.25Å; L24-I26 HydrophobicContact CG-CD1 4.44Å; L24-I26 HydrophobicContact CG-CG1 4.06Å; I26-L29 HydrophobicContact CB-CD2 3.93Å; I26-L29 HydrophobicContact CD1-CD2 4.24Å; I26-L29 HydrophobicContact CG2-CD2 3.76Å; I26-L29 HydrophobicContact CG2-CG 4.41Å; I26-Y38 HydrophobicContact CD1-CE1 3.84Å; I26-Y38 WeakPolarHBondContact CD1-OH 3.22Å |
| 27 | R | 90.7 | Very high | 89.7 | Confident | 160 Ų | 160 | 73 Ų | 73 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -88.9 | 147.1 | 174.2 | -65.1 | -176.7 | 176.4 | 169.5 | 1.9 | 109.7 | R16 | R16-R27 WeakPolarHBondContact CB-O 3.27Å; R16-R27 PolarHBondContact O-N 3.16Å |
| 28 | N | 87.9 | Confident | 89.9 | Confident | 138 Ų | 138 | 71.9 Ų | 71.9 | 74% | 0.738 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 49.6 | 63.1 | 177.7 | -57.9 | -18.8 | 0 | 0 | 0 | 111.7 | R16 D30 | R16-N28 PolarHBondContact NH1-O 3.16Å; N28-D30 PolarHBondContact O-N 3.04Å |
| 29 | L | 87.6 | Confident | 90.1 | Very high | 87 Ų | 87 | 70.4 Ų | 70.4 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | trans | -51.5 | 131.3 | -179.6 | -82.4 | 167.4 | 0 | 0 | 0 | 111.6 | I26 D34 F58 | I26-L29 HydrophobicContact CB-CD2 3.93Å; I26-L29 HydrophobicContact CD1-CD2 4.24Å; I26-L29 HydrophobicContact CG2-CD2 3.76Å; I26-L29 HydrophobicContact CG2-CG 4.41Å; L29-D34 HydrophobicContact CD2-CB 3.68Å; L29-F58 HydrophobicContact CB-CE1 3.88Å; L29-F58 HydrophobicContact CB-CZ 3.84Å; L29-F58 HydrophobicContact CD2-CZ 4.42Å | ||
| 30 | D | 88.3 | Confident | 90.2 | Very high | 59 Ų | 59 | 67.5 Ų | 67.5 | 32% | 0.316 | 39% | 0.385 | S | S | . | . | trans | -106.3 | 130.1 | 177.3 | -179.1 | -82.9 | 0 | 0 | 0 | 110.2 | N28 D32 Q33 D34 F58 | N28-D30 PolarHBondContact O-N 3.04Å; D30-D32 VanDerWaalsContact C-N 3.33Å; D30-D32 PolarHBondContact O-N 3.42Å; D30-D32 PolarHBondContact OD1-N 2.83Å; D30-Q33 HydrophobicContact CB-CB 4.2Å; D30-Q33 WeakPolarHBondContact OD1-CG 3.18Å; D30-Q33 PolarHBondContact OD1-N 2.83Å; D30-D34 PolarHBondContact N-OD2 2.81Å; D30-D34 WeakPolarHBondContact O-CA 3.37Å; D30-D34 VanDerWaalsContact O-CB 3.24Å; D30-D34 WeakPolarHBondContact O-CB 3.48Å; D30-D34 PolarHBondContact O-N 2.95Å; D30-F58 VanDerWaalsContact C-CZ 3.45Å; D30-F58 VanDerWaalsContact O-CZ 3.22Å; D30-F58 WeakPolarHBondContact O-CZ 3.22Å | ||
| 31 | K | 83.9 | Confident | 90.4 | Very high | 118 Ų | 118 | 65.4 Ų | 65.4 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | -173.5 | 178.6 | -177.2 | 170.9 | -169.6 | 0 | 112.8 | S35 F58 | K31-S35 WeakPolarHBondContact O-CB 3.01Å; K31-F58 HydrophobicContact CB-CD1 4.06Å; K31-F58 HydrophobicContact CB-CD2 4.22Å; K31-F58 HydrophobicContact CB-CE1 4.31Å; K31-F58 HydrophobicContact CB-CE2 4.49Å; K31-F58 HydrophobicContact CB-CG 4Å; K31-F58 HydrophobicContact CD-CB 4.44Å; K31-F58 HydrophobicContact CG-CB 4.01Å; K31-F58 HydrophobicContact CG-CD1 4.45Å; K31-F58 HydrophobicContact CG-CD2 4.07Å; K31-F58 HydrophobicContact CG-CG 3.91Å |
| 32 | D | 85.1 | Confident | 90.6 | Very high | 142 Ų | 142 | 63.8 Ų | 63.8 | 76% | 0.759 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -87.1 | -29.1 | -170.6 | -61.4 | -38.6 | 0 | 0 | 0 | 111.1 | D30 | D30-D32 VanDerWaalsContact C-N 3.33Å; D30-D32 PolarHBondContact O-N 3.42Å; D30-D32 PolarHBondContact OD1-N 2.83Å |
| 33 | Q | 87.5 | Confident | 90.8 | Very high | 113 Ų | 113 | 67.3 Ų | 67.3 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -95.3 | -28.1 | -178 | -60.8 | -175.8 | 0.1 | 0 | 0 | 114.9 | L4 R17 D30 | L4-Q33 WeakPolarHBondContact CD2-O 3.4Å; R17-Q33 PolarHBondContact NH2-O 2.97Å; R17-Q33 VanDerWaalsContact NH2-O 3.09Å; D30-Q33 HydrophobicContact CB-CB 4.2Å; D30-Q33 WeakPolarHBondContact OD1-CG 3.18Å; D30-Q33 PolarHBondContact OD1-N 2.83Å |
| 34 | D | 90.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -109.3 | -1.8 | -173.9 | -58 | -54.1 | 0 | 0 | 0 | 112.9 | R16 R17 L29 D30 Y38 F58 | R16-D34 IonicContact CZ-OD2 3.68Å; R16-D34 IonicContact NH1-OD2 3.79Å; R16-D34 PolarHBondContact NH1-OD2 3.47Å; R16-D34 IonicContact NH2-OD1 3.12Å; R16-D34 IonicContact NH2-OD2 3.4Å; R17-D34 IonicContact CZ-OD1 2.66Å; R17-D34 VanDerWaalsContact CZ-OD1 3.31Å; R17-D34 IonicContact NE-OD1 3.48Å; R17-D34 PolarHBondContact NE-OD1 3.28Å; R17-D34 VanDerWaalsContact NE-OD1 3.17Å; R17-D34 IonicContact NH2-OD1 2.89Å; R17-D34 PolarHBondContact NH2-OD1 2.96Å; L29-D34 HydrophobicContact CD2-CB 3.68Å; D30-D34 PolarHBondContact N-OD2 2.81Å; D30-D34 WeakPolarHBondContact O-CA 3.37Å; D30-D34 VanDerWaalsContact O-CB 3.24Å; D30-D34 WeakPolarHBondContact O-CB 3.48Å; D30-D34 PolarHBondContact O-N 2.95Å; D34-Y38 WeakPolarHBondContact CA-OH 3.44Å; D34-Y38 WeakPolarHBondContact O-CE2 3.46Å; D34-Y38 PolarHBondContact O-OH 2.82Å; D34-F58 HydrophobicContact CB-CZ 4.32Å |
| 35 | S | 90.8 | Very high | 90.8 | Very high | 47 Ų | 47 | 72.6 Ų | 72.6 | 33% | 0.329 | 38% | 0.379 | S | S | . | . | trans | -78.4 | 129.5 | 173.4 | 178.3 | 0 | 0 | 0 | 0 | 111 | K31 | K31-S35 WeakPolarHBondContact O-CB 3.01Š| ||
| 36 | G | 92.6 | Very high | 90.8 | Very high | 11 Ų | 11 | 71.3 Ų | 71.3 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.1 | -163.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N5 S55 I56 | N5-G36 WeakPolarHBondContact OD1-CA 3.06Å; G36-S55 CarbonylContact O-C 3.4Å; G36-S55 VanDerWaalsContact O-CA 3.24Å; G36-S55 WeakPolarHBondContact O-CA 3.43Å; G36-I56 PolarHBondContact N-O 3.06Å; G36-I56 PolarHBondContact O-N 3.07Å |
| 37 | M | 94.3 | Very high | 90.8 | Very high | 77 Ų | 77 | 70.7 Ų | 70.7 | 38% | 0.379 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.1 | -173.6 | -170.2 | -173 | -64 | 0 | 0 | 110.8 | L4 N5 R53 | L4-M37 CarbonylContact C-O 3.59Å; L4-M37 WeakPolarHBondContact CA-O 3.46Å; N5-M37 PolarHBondContact N-O 3.26Å; N5-M37 PolarHBondContact OD1-N 2.87Å; M37-R53 HydrophobicContact CG-CB 3.8Å; M37-R53 HydrophobicContact CG-CG 3.96Å; M37-R53 HydrophobicContact SD-CB 3.85Å; M37-R53 WeakPolarHBondContact SD-CD 3Å; M37-R53 HydrophobicContact SD-CG 3.62Å |
| 38 | Y | 95.1 | Very high | 91 | Very high | 8 Ų | 8 | 64.4 Ų | 64.4 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 141.8 | 177.1 | -68.9 | -98.4 | 0 | 0 | 0 | 111.4 | S3 L4 I9 L24 I26 D34 R53 A54 I56 | S3-Y38 VanDerWaalsContact O-CA 3.26Å; S3-Y38 WeakPolarHBondContact O-CA 3.45Å; L4-Y38 HydrophobicContact CB-CE1 4.29Å; L4-Y38 HydrophobicContact CD1-CD2 4Å; L4-Y38 HydrophobicContact CD1-CE1 4.2Å; L4-Y38 HydrophobicContact CD1-CE2 3.62Å; L4-Y38 HydrophobicContact CD1-CG 4.43Å; I9-Y38 HydrophobicContact CD1-CD1 3.76Å; I9-Y38 HydrophobicContact CD1-CE1 3.58Å; L24-Y38 HydrophobicContact CD2-CD1 3.73Å; L24-Y38 HydrophobicContact CD2-CE1 3.68Å; I26-Y38 HydrophobicContact CD1-CE1 3.84Å; I26-Y38 WeakPolarHBondContact CD1-OH 3.22Å; D34-Y38 WeakPolarHBondContact CA-OH 3.44Å; D34-Y38 WeakPolarHBondContact O-CE2 3.46Å; D34-Y38 PolarHBondContact O-OH 2.82Å; Y38-R53 CarbonylContact O-C 3.54Å; Y38-R53 WeakPolarHBondContact O-CA 3.17Å; Y38-A54 WeakPolarHBondContact CA-O 3.32Å; Y38-A54 WeakPolarHBondContact CB-O 3.48Å; Y38-A54 PolarHBondContact N-O 2.87Å; Y38-A54 PolarHBondContact O-N 3.09Å; Y38-I56 HydrophobicContact CD2-CB 4.47Å; Y38-I56 HydrophobicContact CD2-CD1 3.95Å; Y38-I56 HydrophobicContact CD2-CG1 3.88Å; Y38-I56 HydrophobicContact CE2-CB 4.01Å; Y38-I56 HydrophobicContact CE2-CD1 3.45Å; Y38-I56 VanDerWaalsContact CE2-CD1 3.45Å; Y38-I56 HydrophobicContact CE2-CG1 3.67Å |
| 39 | Q | 93.9 | Very high | 91.3 | Very high | 31 Ų | 31 | 59.4 Ų | 59.4 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 136.3 | 171.9 | -167.2 | 165.5 | 26.1 | 0 | 0 | 110.1 | W2 S3 S51 R53 | W2-Q39 WeakPolarHBondContact CA-O 3.37Å; S3-Q39 PolarHBondContact N-O 2.94Å; S3-Q39 PolarHBondContact O-N 3.39Å; S3-Q39 PolarHBondContact OG-O 3.23Å; Q39-S51 PolarHBondContact NE2-O 2.9Å; Q39-R53 HydrophobicContact CB-CG 4.34Å; Q39-R53 HydrophobicContact CG-CG 4.34Å |
| 40 | C | 93.5 | Very high | 91.5 | Very high | 26 Ų | 26 | 57.1 Ų | 57.1 | 18% | 0.176 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 135.4 | 174.7 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | R1 W2 S51 | R1-C40 CarbonylContact O-C 3.54Å; R1-C40 WeakPolarHBondContact O-CA 3.26Å; W2-C40 HydrophobicContact CD2-CB 3.83Å; W2-C40 HydrophobicContact CE3-CB 3.95Å; W2-C40 HydrophobicContact CH2-CB 3.87Å; W2-C40 HydrophobicContact CZ2-CB 3.72Å; W2-C40 HydrophobicContact CZ3-CB 3.98Å; C40-S51 WeakPolarHBondContact CB-OG 3.13Å; C40-S51 PolarHBondContact N-OG 2.91Å; C40-S51 WeakPolarHBondContact O-CB 3.46Å; C40-S51 PolarHBondContact O-N 3.3Å; C40-S51 PolarHBondContact O-OG 3.47Å |
| 41 | T | 92.9 | Very high | 91.6 | Very high | 31 Ų | 31 | 55.9 Ų | 55.9 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.3 | 171.8 | -52.6 | 0 | 0 | 0 | 0 | 108.8 | R1 I49 L50 | R1-T41 PolarHBondContact N-O 3.45Å; R1-T41 PolarHBondContact O-N 2.82Å; T41-I49 WeakPolarHBondContact CA-O 3.45Å; T41-L50 HydrophobicContact CG2-CD2 3.94Å; T41-L50 VanDerWaalsContact OG1-CD2 3.29Å; T41-L50 WeakPolarHBondContact OG1-CD2 3.49Å |
| 42 | A | 92.3 | Very high | 91.8 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 142.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | S48 I49 | A42-S48 CarbonylContact O-C 3.56Å; A42-S48 WeakPolarHBondContact O-CA 3.45Å; A42-S48 WeakPolarHBondContact O-CB 3.4Å; A42-I49 HydrophobicContact CB-CD1 4.39Å; A42-I49 HydrophobicContact CB-CG1 3.92Å; A42-I49 PolarHBondContact N-O 2.83Å; A42-I49 PolarHBondContact O-N 3.27Å |
| 43 | F | 91.8 | Very high | 92 | Very high | 119 Ų | 119 | 59.2 Ų | 59.2 | 52% | 0.522 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 155.3 | -179.4 | 66.6 | -86.4 | 0 | 0 | 0 | 111.5 | R1 G47 | R1-F43 HydrophobicContact CG-CE1 4.05Å; F43-G47 CarbonylContact C-O 3.51Å; F43-G47 WeakPolarHBondContact CA-O 3.46Å; F43-G47 VanDerWaalsContact CB-O 3.32Å; F43-G47 WeakPolarHBondContact CB-O 3.34Å |
| 44 | N | 92.4 | Very high | 92.1 | Very high | 62 Ų | 62 | 56.1 Ų | 56.1 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | trans | -135 | -166.1 | 170.9 | 65.8 | 8.6 | 0 | 0 | 0 | 109 | L46 G47 M343 Q360 | N44-L46 PolarHBondContact O-N 2.77Å; N44-L46 WeakPolarHBondContact OD1-CA 3.42Å; N44-L46 WeakPolarHBondContact OD1-CB 3.45Å; N44-L46 PolarHBondContact OD1-N 2.96Å; N44-G47 PolarHBondContact N-O 3.15Å; N44-G47 PolarHBondContact O-N 3.11Å; N44-G47 PolarHBondContact OD1-N 2.84Å; N44-G47 VanDerWaalsContact OD1-N 3.09Å; N44-G47 PolarHBondContact OD1-O 2.9Å; N44-M343 PolarHBondContact ND2-SD 2.8Å; N44-M343 VanDerWaalsContact ND2-SD 3.43Å; N44-Q360 PolarHBondContact ND2-OE1 2.96Å | ||
| 45 | T | 92.4 | Very high | 92 | Very high | 149 Ų | 149 | 59.4 Ų | 59.4 | 91% | 0.914 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -66.3 | -17.2 | 178.6 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 46 | L | 90.8 | Very high | 91.9 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -95.6 | -23.3 | -179.1 | -69.3 | 169.7 | 0 | 0 | 0 | 113.2 | N44 N312 G342 Q360 M362 | N44-L46 PolarHBondContact O-N 2.77Å; N44-L46 WeakPolarHBondContact OD1-CA 3.42Å; N44-L46 WeakPolarHBondContact OD1-CB 3.45Å; N44-L46 PolarHBondContact OD1-N 2.96Å; L46-N312 PolarHBondContact O-OD1 2.65Å; L46-G342 WeakPolarHBondContact O-CA 3.47Å; L46-Q360 HydrophobicContact CD1-CG 3.27Å; L46-M362 HydrophobicContact CD1-CE 4.28Å |
| 47 | G | 93 | Very high | 91.5 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | trans | 159.1 | -160.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F43 N44 N312 | F43-G47 CarbonylContact C-O 3.51Å; F43-G47 WeakPolarHBondContact CA-O 3.46Å; F43-G47 VanDerWaalsContact CB-O 3.32Å; F43-G47 WeakPolarHBondContact CB-O 3.34Å; N44-G47 PolarHBondContact N-O 3.15Å; N44-G47 PolarHBondContact O-N 3.11Å; N44-G47 PolarHBondContact OD1-N 2.84Å; N44-G47 VanDerWaalsContact OD1-N 3.09Å; N44-G47 PolarHBondContact OD1-O 2.9Å; G47-N312 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 48 | S | 93.9 | Very high | 91 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 20% | 0.203 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 157 | -176.6 | 86.3 | 0 | 0 | 0 | 0 | 112.8 | A42 N312 G313 | A42-S48 CarbonylContact O-C 3.56Å; A42-S48 WeakPolarHBondContact O-CA 3.45Å; A42-S48 WeakPolarHBondContact O-CB 3.4Å; S48-N312 CarbonylContact O-C 3.51Å; S48-N312 WeakPolarHBondContact O-CA 3.48Å; S48-N312 PolarHBondContact OG-O 2.98Å; S48-G313 PolarHBondContact O-N 2.77Å |
| 49 | I | 94.3 | Very high | 90.6 | Very high | 33 Ų | 33 | 65.7 Ų | 65.7 | 17% | 0.169 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 153.4 | 170.2 | 58.5 | 173.5 | 0 | 0 | 0 | 109 | T41 A42 M343 Q345 S358 | T41-I49 WeakPolarHBondContact CA-O 3.45Å; A42-I49 HydrophobicContact CB-CD1 4.39Å; A42-I49 HydrophobicContact CB-CG1 3.92Å; A42-I49 PolarHBondContact N-O 2.83Å; A42-I49 PolarHBondContact O-N 3.27Å; I49-M343 HydrophobicContact CG2-CB 3.72Å; I49-M343 HydrophobicContact CG2-CE 4.35Å; I49-Q345 HydrophobicContact CG2-CB 4.48Å; I49-S358 WeakPolarHBondContact CD1-OG 3.44Å |
| 50 | L | 92.1 | Very high | 90.2 | Very high | 38 Ų | 38 | 68.3 Ų | 68.3 | 20% | 0.199 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 144.9 | 179.8 | -59.8 | 179.7 | 0 | 0 | 0 | 110.5 | T41 L310 G313 Q345 | T41-L50 HydrophobicContact CG2-CD2 3.94Å; T41-L50 VanDerWaalsContact OG1-CD2 3.29Å; T41-L50 WeakPolarHBondContact OG1-CD2 3.49Å; L50-L310 HydrophobicContact CD1-CD2 4.38Å; L50-G313 VanDerWaalsContact CD1-O 3.24Å; L50-G313 WeakPolarHBondContact CD1-O 3.29Å; L50-Q345 PolarHBondContact O-NE2 2.77Å; L50-Q345 PolarHBondContact O-OE1 2.83Å |
| 51 | S | 91.1 | Very high | 90 | Very high | 34 Ų | 34 | 67.6 Ų | 67.6 | 24% | 0.238 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 170.2 | 166.6 | 77.1 | 0 | 0 | 0 | 0 | 110.7 | Q39 C40 | Q39-S51 PolarHBondContact NE2-O 2.9Å; C40-S51 WeakPolarHBondContact CB-OG 3.13Å; C40-S51 PolarHBondContact N-OG 2.91Å; C40-S51 WeakPolarHBondContact O-CB 3.46Å; C40-S51 PolarHBondContact O-N 3.3Å; C40-S51 PolarHBondContact O-OG 3.47Å |
| 52 | R | 87 | Confident | 89.7 | Confident | 164 Ų | 164 | 69.9 Ų | 69.9 | 62% | 0.619 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 147.9 | 158.6 | 69.8 | -176.1 | 178.3 | 170.3 | 1 | 110.9 | Y356 | R52-Y356 HydrophobicContact CB-CD2 4.39Å; R52-Y356 HydrophobicContact CB-CE2 3.54Å |
| 53 | R | 89.2 | Confident | 89.4 | Confident | 166 Ų | 166 | 71.4 Ų | 71.4 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 138.4 | 167.1 | -75.5 | 157.8 | 168 | -154.4 | 12.7 | 109.1 | M37 Y38 Q39 | M37-R53 HydrophobicContact CG-CB 3.8Å; M37-R53 HydrophobicContact CG-CG 3.96Å; M37-R53 HydrophobicContact SD-CB 3.85Å; M37-R53 WeakPolarHBondContact SD-CD 3Å; M37-R53 HydrophobicContact SD-CG 3.62Å; Y38-R53 CarbonylContact O-C 3.54Å; Y38-R53 WeakPolarHBondContact O-CA 3.17Å; Q39-R53 HydrophobicContact CB-CG 4.34Å; Q39-R53 HydrophobicContact CG-CG 4.34Å |
| 54 | A | 89.9 | Confident | 89.1 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y38 | Y38-A54 WeakPolarHBondContact CA-O 3.32Å; Y38-A54 WeakPolarHBondContact CB-O 3.48Å; Y38-A54 PolarHBondContact N-O 2.87Å; Y38-A54 PolarHBondContact O-N 3.09Å |
| 55 | S | 89.4 | Confident | 87.9 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 49% | 0.49 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 142.1 | 176.5 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | G36 H57 | G36-S55 CarbonylContact O-C 3.4Å; G36-S55 VanDerWaalsContact O-CA 3.24Å; G36-S55 WeakPolarHBondContact O-CA 3.43Å; S55-H57 WeakPolarHBondContact CB-NE2 3.47Å; S55-H57 PolarHBondContact OG-CD2 2.93Å; S55-H57 PolarHBondContact OG-NE2 3.15Å; S55-H57 VanDerWaalsContact OG-NE2 3.12Å |
| 56 | I | 88.5 | Confident | 86.5 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 27% | 0.272 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.7 | 165.2 | -60.9 | -176.3 | 0 | 0 | 0 | 107 | G36 Y38 F58 | G36-I56 PolarHBondContact N-O 3.06Å; G36-I56 PolarHBondContact O-N 3.07Å; Y38-I56 HydrophobicContact CD2-CB 4.47Å; Y38-I56 HydrophobicContact CD2-CD1 3.95Å; Y38-I56 HydrophobicContact CD2-CG1 3.88Å; Y38-I56 HydrophobicContact CE2-CB 4.01Å; Y38-I56 HydrophobicContact CE2-CD1 3.45Å; Y38-I56 VanDerWaalsContact CE2-CD1 3.45Å; Y38-I56 HydrophobicContact CE2-CG1 3.67Å; I56-F58 HydrophobicContact CG2-CD2 4.45Å; I56-F58 HydrophobicContact CG2-CE2 3.99Å |
| 57 | H | 84.1 | Confident | 85.3 | Confident | 140 Ų | 140 | 75.6 Ų | 75.6 | 65% | 0.648 | 39% | 0.387 | S | S | * | . | trans | -123.2 | 135.4 | 171.9 | -62.4 | -58.5 | 0 | 0 | 0 | 108.7 | S55 | S55-H57 WeakPolarHBondContact CB-NE2 3.47Å; S55-H57 PolarHBondContact OG-CD2 2.93Å; S55-H57 PolarHBondContact OG-NE2 3.15Å; S55-H57 VanDerWaalsContact OG-NE2 3.12Å | ||
| 58 | F | 84.1 | Confident | 83.8 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | trans | -84.9 | 135.7 | 178.7 | -71.9 | -104.2 | 0 | 0 | 0 | 110.1 | L29 D30 K31 D34 I56 S91 | L29-F58 HydrophobicContact CB-CE1 3.88Å; L29-F58 HydrophobicContact CB-CZ 3.84Å; L29-F58 HydrophobicContact CD2-CZ 4.42Å; D30-F58 VanDerWaalsContact C-CZ 3.45Å; D30-F58 VanDerWaalsContact O-CZ 3.22Å; D30-F58 WeakPolarHBondContact O-CZ 3.22Å; K31-F58 HydrophobicContact CB-CD1 4.06Å; K31-F58 HydrophobicContact CB-CD2 4.22Å; K31-F58 HydrophobicContact CB-CE1 4.31Å; K31-F58 HydrophobicContact CB-CE2 4.49Å; K31-F58 HydrophobicContact CB-CG 4Å; K31-F58 HydrophobicContact CD-CB 4.44Å; K31-F58 HydrophobicContact CG-CB 4.01Å; K31-F58 HydrophobicContact CG-CD1 4.45Å; K31-F58 HydrophobicContact CG-CD2 4.07Å; K31-F58 HydrophobicContact CG-CG 3.91Å; D34-F58 HydrophobicContact CB-CZ 4.32Å; I56-F58 HydrophobicContact CG2-CD2 4.45Å; I56-F58 HydrophobicContact CG2-CE2 3.99Å; F58-S91 PolarHBondContact O-OG 3.42Å | ||
| 59 | A | 85.4 | Confident | 82.5 | Confident | 32 Ų | 32 | 83 Ų | 83 | 26% | 0.264 | 43% | 0.431 | S | S | . | . | trans | -68 | 140.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S91 V143 T144 | A59-S91 WeakPolarHBondContact CA-OG 3.39Å; A59-V143 HydrophobicContact CB-CB 3.55Å; A59-V143 HydrophobicContact CB-CG1 3.41Å; A59-V143 VanDerWaalsContact CB-CG1 3.41Å; A59-V143 HydrophobicContact CB-CG2 4.34Å; A59-T144 HydrophobicContact CB-CG2 3.54Å; A59-T144 WeakPolarHBondContact O-CG2 3.01Å | ||
| 60 | Y | 86.4 | Confident | 81.6 | Confident | 86 Ų | 86 | 84.6 Ų | 84.6 | 34% | 0.337 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 157.2 | 173.3 | 69.2 | -87.7 | 0 | 0 | 0 | 111.2 | P89 H90 S91 N141 | Y60-P89 HydrophobicContact CE2-CB 4.37Å; Y60-H90 VanDerWaalsContact O-CA 3.28Å; Y60-H90 WeakPolarHBondContact O-CA 3.19Å; Y60-H90 WeakPolarHBondContact O-CB 3.38Å; Y60-S91 WeakPolarHBondContact CD1-OG 3.26Å; Y60-S91 WeakPolarHBondContact CE1-OG 3.34Å; Y60-S91 PolarHBondContact N-OG 3Å; Y60-S91 PolarHBondContact O-N 3.29Å; Y60-N141 PolarHBondContact O-ND2 3.43Å; Y60-N141 VanDerWaalsContact O-ND2 3.11Å |
| 61 | L | 88.9 | Confident | 81.1 | Confident | 11 Ų | 11 | 87.9 Ų | 87.9 | 6% | 0.058 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 109.3 | 169.8 | -179.7 | 63.7 | 0 | 0 | 0 | 108.4 | P88 H90 L94 V139 N141 Q146 V148 | L61-P88 HydrophobicContact CD1-CG 3.75Å; L61-H90 HydrophobicContact CD1-CB 3.82Å; L61-L94 HydrophobicContact CD1-CD2 4.07Å; L61-V139 HydrophobicContact CD1-CG1 3.98Å; L61-V139 HydrophobicContact CD2-CG1 4.4Å; L61-V139 WeakPolarHBondContact CD2-O 3.41Å; L61-N141 HydrophobicContact CB-CB 3.9Å; L61-N141 HydrophobicContact CD2-CB 3.96Å; L61-N141 HydrophobicContact CG-CB 4.41Å; L61-Q146 HydrophobicContact CB-CB 4.25Å; L61-Q146 HydrophobicContact CD2-CB 4.21Å; L61-Q146 WeakPolarHBondContact CD2-O 3.46Å; L61-V148 HydrophobicContact CD2-CB 4.21Å; L61-V148 HydrophobicContact CD2-CG2 3.72Å; L61-V148 HydrophobicContact CG-CB 4.5Å; L61-V148 HydrophobicContact CG-CG2 3.82Å |
| 62 | D | 87.8 | Confident | 80.8 | Confident | 79 Ų | 79 | 88.4 Ų | 88.4 | 42% | 0.422 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 167 | 178.7 | -70.8 | -23.7 | 0 | 0 | 0 | 111.7 | P88 P89 | D62-P88 VanDerWaalsContact O-CB 3.24Å; D62-P88 WeakPolarHBondContact O-CB 3.16Å; D62-P88 VanDerWaalsContact O-CG 3.23Å; D62-P88 WeakPolarHBondContact O-CG 3.47Å; D62-P89 HydrophobicContact CB-CB 4.28Å; D62-P89 WeakPolarHBondContact CB-O 3.36Å; D62-P89 PolarHBondContact N-O 3.22Å |
| 63 | S | 85.2 | Confident | 80.8 | Confident | 83 Ų | 83 | 82.6 Ų | 82.6 | 58% | 0.58 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 158.9 | 169 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | K65 | S63-K65 PolarHBondContact O-N 3Š|
| 64 | F | 84.3 | Confident | 80.6 | Confident | 21 Ų | 21 | 78.4 Ų | 78.4 | 9% | 0.092 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 126.4 | 170.6 | -72.6 | -92.5 | 0 | 0 | 0 | 109.5 | T66 G86 P88 V139 V148 L149 | F64-T66 PolarHBondContact O-N 2.62Å; F64-G86 VanDerWaalsContact CE1-O 3.28Å; F64-G86 WeakPolarHBondContact CE1-O 3.45Å; F64-P88 HydrophobicContact CD1-CB 4.44Å; F64-P88 HydrophobicContact CD2-CG 4.44Å; F64-P88 HydrophobicContact CE2-CG 4.26Å; F64-P88 HydrophobicContact CG-CB 4.39Å; F64-P88 HydrophobicContact CZ-CG 4.36Å; F64-V139 HydrophobicContact CE2-CG2 4.47Å; F64-V139 HydrophobicContact CZ-CG2 3.95Å; F64-V148 HydrophobicContact CD2-CG1 3.62Å; F64-V148 HydrophobicContact CE2-CG1 3.79Å; F64-L149 VanDerWaalsContact CD2-O 3.26Å; F64-L149 WeakPolarHBondContact CD2-O 3.39Å; F64-L149 WeakPolarHBondContact CE2-O 3.23Å |
| 65 | K | 68.6 | Low | 80.3 | Confident | 183 Ų | 183 | 76.5 Ų | 76.5 | 80% | 0.796 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -53.3 | -20.6 | -173.9 | -73 | -172.9 | 176.3 | -176.5 | 0 | 114.8 | S63 | S63-K65 PolarHBondContact O-N 3Š|
| 66 | T | 63.3 | Low | 79.7 | Confident | 110 Ų | 110 | 78 Ų | 78 | 68% | 0.675 | 42% | 0.418 | S | S | * | . | trans | -153.7 | 119.6 | 171.2 | 10.9 | 0 | 0 | 0 | 0 | 109 | F64 S68 | F64-T66 PolarHBondContact O-N 2.62Å; T66-S68 PolarHBondContact O-N 3.04Å | ||
| 67 | Q | 65.1 | Low | 79.3 | Confident | 143 Ų | 143 | 80.5 Ų | 80.5 | 67% | 0.668 | 43% | 0.429 | S | S | * | . | trans | -79.8 | 43.5 | 169.7 | -73.2 | -174.5 | -9 | 0 | 0 | 111.3 | S151 | Q67-S151 WeakPolarHBondContact CA-OG 3.49Å; Q67-S151 WeakPolarHBondContact CB-OG 3.46Å; Q67-S151 PolarHBondContact O-OG 3.27Å | ||
| 68 | S | 61.6 | Low | 78.9 | Confident | 74 Ų | 74 | 73.9 Ų | 73.9 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 142.1 | 174.4 | 53.8 | 0 | 0 | 0 | 0 | 110 | T66 R70 S151 | T66-S68 PolarHBondContact O-N 3.04Å; S68-R70 PolarHBondContact O-N 2.97Å; S68-R70 VanDerWaalsContact O-N 3.08Å; S68-S151 WeakPolarHBondContact O-CB 3.48Å; S68-S151 PolarHBondContact O-OG 2.81Å |
| 69 | V | 66.5 | Low | 78.6 | Confident | 127 Ų | 127 | 75.6 Ų | 75.6 | 77% | 0.77 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 118.4 | 171.4 | 179.2 | 0 | 0 | 0 | 0 | 107 | ||
| 70 | R | 76.1 | Confident | 78.4 | Confident | 67 Ų | 67 | 74.4 Ų | 74.4 | 25% | 0.253 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 135.4 | 179.9 | -75 | -179.9 | 168.5 | -160.6 | 2.9 | 108.9 | S68 A72 L84 C85 T153 P154 | S68-R70 PolarHBondContact O-N 2.97Å; S68-R70 VanDerWaalsContact O-N 3.08Å; R70-A72 PolarHBondContact O-N 3.31Å; R70-L84 PolarHBondContact NH1-O 2.84Å; R70-C85 PolarHBondContact NH2-O 3.11Å; R70-T153 HydrophobicContact CB-CG2 4.15Å; R70-T153 WeakPolarHBondContact CD-OG1 3.22Å; R70-P154 WeakPolarHBondContact O-CD 3.1Å |
| 71 | S | 80.1 | Confident | 78.4 | Confident | 107 Ų | 107 | 70.9 Ų | 70.9 | 75% | 0.748 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 139.8 | 177 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | V73 | S71-V73 PolarHBondContact O-N 2.98Š|
| 72 | A | 84.6 | Confident | 78.3 | Confident | 44 Ų | 44 | 72.2 Ų | 72.2 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -58 | 128.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R70 N74 P154 V156 | R70-A72 PolarHBondContact O-N 3.31Å; A72-N74 PolarHBondContact O-N 2.84Å; A72-N74 PolarHBondContact O-ND2 2.81Å; A72-P154 CarbonylContact C-O 3.42Å; A72-P154 WeakPolarHBondContact CA-O 3.29Å; A72-P154 HydrophobicContact CB-CB 4.11Å; A72-V156 HydrophobicContact CB-CG2 4.08Å |
| 73 | V | 88.3 | Confident | 78.4 | Confident | 43 Ų | 43 | 68.5 Ų | 68.5 | 26% | 0.261 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 110.8 | 173.3 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | S71 V81 L83 T153 P154 L155 V156 | S71-V73 PolarHBondContact O-N 2.98Å; V73-V81 HydrophobicContact CG1-CG2 3.51Å; V73-L83 HydrophobicContact CB-CD2 4.03Å; V73-L83 HydrophobicContact CG1-CD2 4.16Å; V73-L83 HydrophobicContact CG2-CD2 3.75Å; V73-T153 HydrophobicContact CG2-CG2 3.84Å; V73-P154 PolarHBondContact N-O 2.82Å; V73-L155 HydrophobicContact CB-CD1 4.05Å; V73-L155 HydrophobicContact CG1-CD1 3.98Å; V73-V156 PolarHBondContact O-N 2.93Å |
| 74 | N | 84.8 | Confident | 78.5 | Confident | 78 Ų | 78 | 70 Ų | 70 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.6 | 179.9 | -60.3 | -69.3 | 0 | 0 | 0 | 109.6 | A72 V156 R158 | A72-N74 PolarHBondContact O-N 2.84Å; A72-N74 PolarHBondContact O-ND2 2.81Å; N74-V156 WeakPolarHBondContact CA-O 3.42Å; N74-R158 HydrophobicContact CB-CG 4.03Å; N74-R158 VanDerWaalsContact CG-NE 3.34Å; N74-R158 PolarHBondContact OD1-NE 2.83Å |
| 75 | V | 82.8 | Confident | 78.6 | Confident | 6 Ų | 6 | 69 Ų | 69 | 4% | 0.036 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 156.5 | -179.5 | 68.8 | 0 | 0 | 0 | 0 | 111 | Q79 V81 V127 L155 V156 L157 R158 | V75-Q79 HydrophobicContact CG2-CB 3.9Å; V75-Q79 HydrophobicContact CG2-CG 4.22Å; V75-V81 HydrophobicContact CG2-CB 4.14Å; V75-V127 HydrophobicContact CG1-CB 4.23Å; V75-V127 HydrophobicContact CG1-CG1 3.79Å; V75-V127 HydrophobicContact CG1-CG2 4.05Å; V75-V127 HydrophobicContact CG2-CB 4.42Å; V75-V127 HydrophobicContact CG2-CG2 4.02Å; V75-L155 HydrophobicContact CB-CD1 4.33Å; V75-L155 HydrophobicContact CG1-CD1 3.63Å; V75-L155 HydrophobicContact CG1-CG 4.12Å; V75-V156 PolarHBondContact N-O 2.8Å; V75-L157 HydrophobicContact CG1-CD2 4.24Å; V75-L157 WeakPolarHBondContact O-CA 3.09Å; V75-R158 PolarHBondContact O-N 3.39Å |
| 76 | R | 77.6 | Confident | 78.9 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 38% | 0.381 | 36% | 0.357 | S | S | . | . | trans | -93.6 | 153.3 | 172.1 | -64.3 | -176.4 | -176.7 | 179.5 | 2.6 | 111.4 | G78 Q79 V161 | R76-G78 PolarHBondContact O-N 2.7Å; R76-Q79 HydrophobicContact CB-CB 4.29Å; R76-Q79 WeakPolarHBondContact O-CB 3.47Å; R76-Q79 PolarHBondContact O-N 3.15Å; R76-Q79 VanDerWaalsContact O-N 3.1Å; R76-V161 PolarHBondContact NH2-O 2.89Å | ||
| 77 | E | 80.1 | Confident | 79.9 | Confident | 106 Ų | 106 | 59.1 Ų | 59.1 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 133 | 173.3 | -170.2 | -177.6 | 173 | 0 | 0 | 110.2 | Q79 L157 | E77-Q79 VanDerWaalsContact C-N 3.25Å; E77-Q79 PolarHBondContact O-N 3.13Å; E77-L157 HydrophobicContact CB-CD2 4.15Å |
| 78 | G | 75 | Confident | 80.9 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R76 V127 N212 | R76-G78 PolarHBondContact O-N 2.7Å; G78-V127 PolarHBondContact N-O 3.08Å; G78-N212 VanDerWaalsContact O-CB 3.31Å; G78-N212 WeakPolarHBondContact O-CB 3.36Å; G78-N212 PolarHBondContact O-ND2 2.61Å |
| 79 | Q | 78.9 | Confident | 82.1 | Confident | 85 Ų | 85 | 51.1 Ų | 51.1 | 40% | 0.397 | 30% | 0.297 | S | S | . | . | trans | -83.5 | 150.2 | 171.9 | -171.2 | 179.3 | -13.7 | 0 | 0 | 110.1 | V75 R76 E77 V127 | V75-Q79 HydrophobicContact CG2-CB 3.9Å; V75-Q79 HydrophobicContact CG2-CG 4.22Å; R76-Q79 HydrophobicContact CB-CB 4.29Å; R76-Q79 WeakPolarHBondContact O-CB 3.47Å; R76-Q79 PolarHBondContact O-N 3.15Å; R76-Q79 VanDerWaalsContact O-N 3.1Å; E77-Q79 VanDerWaalsContact C-N 3.25Å; E77-Q79 PolarHBondContact O-N 3.13Å; Q79-V127 WeakPolarHBondContact O-CB 3.28Å; Q79-V127 VanDerWaalsContact O-CG2 3.27Å; Q79-V127 WeakPolarHBondContact O-CG2 3.42Å; Q79-V127 PolarHBondContact O-N 3.48Å | ||
| 80 | G | 80.7 | Confident | 83.2 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 7% | 0.072 | 28% | 0.277 | C | S | . | . | trans | -85.5 | 152.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I124 A125 | G80-I124 CarbonylContact C-O 3.58Å; G80-I124 WeakPolarHBondContact CA-O 3.05Å; G80-A125 VanDerWaalsContact CA-O 3.3Å; G80-A125 WeakPolarHBondContact CA-O 3.36Å | ||
| 81 | V | 85.9 | Confident | 83.6 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 154.5 | -179.1 | 68.7 | 0 | 0 | 0 | 0 | 111.8 | V73 V75 I124 V127 L155 | V73-V81 HydrophobicContact CG1-CG2 3.51Å; V75-V81 HydrophobicContact CG2-CB 4.14Å; V81-I124 HydrophobicContact CG1-CB 3.91Å; V81-I124 HydrophobicContact CG1-CD1 4.21Å; V81-I124 HydrophobicContact CG1-CG1 4.3Å; V81-I124 PolarHBondContact N-O 3.45Å; V81-I124 PolarHBondContact O-N 2.85Å; V81-V127 HydrophobicContact CB-CG2 4.24Å; V81-V127 HydrophobicContact CG1-CG2 3.53Å; V81-L155 HydrophobicContact CG1-CD1 4.12Å; V81-L155 HydrophobicContact CG1-CD2 4.34Å; V81-L155 HydrophobicContact CG2-CD1 4.17Å |
| 82 | V | 86.7 | Confident | 83.7 | Confident | 38 Ų | 38 | 44 Ų | 44 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 124.9 | 172.9 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | L84 L122 Y123 I187 | V82-L84 HydrophobicContact CG1-CD2 4.07Å; V82-L122 WeakPolarHBondContact CA-O 3.37Å; V82-Y123 HydrophobicContact CB-CD1 4.32Å; V82-Y123 HydrophobicContact CB-CE1 4.37Å; V82-Y123 HydrophobicContact CG1-CD1 3.97Å; V82-Y123 HydrophobicContact CG1-CE1 3.71Å; V82-Y123 HydrophobicContact CG1-CG 4.49Å; V82-Y123 HydrophobicContact CG2-CD1 3.5Å; V82-Y123 HydrophobicContact CG2-CE1 3.69Å; V82-Y123 HydrophobicContact CG2-CG 4.45Å; V82-I187 HydrophobicContact CG2-CD1 4.45Å; V82-I187 HydrophobicContact CG2-CG2 4.11Å |
| 83 | L | 89.7 | Confident | 83.8 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 108.5 | 171.7 | -57.6 | 179.7 | 0 | 0 | 0 | 108.1 | V73 W98 S121 L122 Y135 T153 L155 | V73-L83 HydrophobicContact CB-CD2 4.03Å; V73-L83 HydrophobicContact CG1-CD2 4.16Å; V73-L83 HydrophobicContact CG2-CD2 3.75Å; L83-W98 HydrophobicContact CB-CH2 3.83Å; L83-W98 HydrophobicContact CB-CZ2 4.19Å; L83-W98 HydrophobicContact CB-CZ3 4.33Å; L83-W98 WeakPolarHBondContact O-CZ2 3.45Å; L83-S121 CarbonylContact O-C 3.57Å; L83-S121 WeakPolarHBondContact O-CA 3.38Å; L83-L122 HydrophobicContact CB-CB 4.32Å; L83-L122 HydrophobicContact CD1-CD2 4.2Å; L83-L122 PolarHBondContact N-O 2.88Å; L83-L122 PolarHBondContact O-N 3.12Å; L83-Y135 HydrophobicContact CD1-CD1 4.01Å; L83-Y135 HydrophobicContact CD1-CD2 3.59Å; L83-Y135 HydrophobicContact CD1-CE2 4.14Å; L83-Y135 HydrophobicContact CD1-CG 3.5Å; L83-Y135 VanDerWaalsContact CD1-CG 3.5Å; L83-T153 HydrophobicContact CD2-CG2 4.3Å; L83-L155 HydrophobicContact CD2-CD1 4.44Å |
| 84 | L | 87.4 | Confident | 83.9 | Confident | 115 Ų | 115 | 46.9 Ų | 46.9 | 60% | 0.602 | 27% | 0.266 | S | S | * | . | trans | -70.9 | 132.5 | -177.8 | -60.2 | 177 | 0 | 0 | 0 | 110.2 | R70 V82 | R70-L84 PolarHBondContact NH1-O 2.84Å; V82-L84 HydrophobicContact CG1-CD2 4.07Å | ||
| 85 | C | 87.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -78.1 | -47.4 | 173.3 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | R70 W98 G120 C137 | R70-C85 PolarHBondContact NH2-O 3.11Å; C85-W98 HydrophobicContact CB-CZ2 4Å; C85-G120 WeakPolarHBondContact CB-O 3.43Å; C85-C137 HydrophobicContact CB-CB 3.91Å; C85-C137 WeakPolarHBondContact CB-SG 3.14Å; C85-C137 WeakPolarHBondContact SG-CB 3.17Å; C85-C137 CovalentContact SG-SG 2.03Å; C85-C137 PolarHBondContact SG-SG 2.76Å | ||
| 86 | G | 75.2 | Confident | 84.5 | Confident | 50 Ų | 50 | 48.5 Ų | 48.5 | 52% | 0.515 | 27% | 0.273 | S | S | . | . | trans | 64.5 | 52.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F64 | F64-G86 VanDerWaalsContact CE1-O 3.28Å; F64-G86 WeakPolarHBondContact CE1-O 3.45Å | ||
| 87 | A | 83.6 | Confident | 85.2 | Confident | 34 Ų | 34 | 44.7 Ų | 44.7 | 28% | 0.281 | 26% | 0.263 | S | S | . | . | trans | -41.7 | 138.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | L94 F96 | A87-L94 HydrophobicContact CB-CD1 4.04Å; A87-F96 HydrophobicContact CB-CE1 3.71Å; A87-F96 HydrophobicContact CB-CZ 4.01Å | ||
| 88 | P | 86.4 | Confident | 85.8 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | trans | -69 | 166.1 | 179.4 | 31.2 | -34.3 | 0 | 0 | 0 | 111.1 | L61 D62 F64 H90 | L61-P88 HydrophobicContact CD1-CG 3.75Å; D62-P88 VanDerWaalsContact O-CB 3.24Å; D62-P88 WeakPolarHBondContact O-CB 3.16Å; D62-P88 VanDerWaalsContact O-CG 3.23Å; D62-P88 WeakPolarHBondContact O-CG 3.47Å; F64-P88 HydrophobicContact CD1-CB 4.44Å; F64-P88 HydrophobicContact CD2-CG 4.44Å; F64-P88 HydrophobicContact CE2-CG 4.26Å; F64-P88 HydrophobicContact CG-CB 4.39Å; F64-P88 HydrophobicContact CZ-CG 4.36Å; P88-H90 PolarHBondContact O-N 3.04Å; P88-H90 PolarHBondContact O-ND1 2.86Å | ||
| 89 | P | 87.6 | Confident | 86.6 | Confident | 44 Ų | 44 | 41 Ų | 41 | 29% | 0.286 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -53.1 | 132.8 | 174.3 | -23.9 | 33.9 | 0 | 0 | 0 | 111.5 | Y60 D62 | Y60-P89 HydrophobicContact CE2-CB 4.37Å; D62-P89 HydrophobicContact CB-CB 4.28Å; D62-P89 WeakPolarHBondContact CB-O 3.36Å; D62-P89 PolarHBondContact N-O 3.22Å |
| 90 | H | 88.4 | Confident | 87.2 | Confident | 74 Ų | 74 | 39.3 Ų | 39.3 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 165.8 | -173.5 | 63.7 | -82.3 | 0 | 0 | 0 | 111.8 | Y60 L61 P88 L94 | Y60-H90 VanDerWaalsContact O-CA 3.28Å; Y60-H90 WeakPolarHBondContact O-CA 3.19Å; Y60-H90 WeakPolarHBondContact O-CB 3.38Å; L61-H90 HydrophobicContact CD1-CB 3.82Å; P88-H90 PolarHBondContact O-N 3.04Å; P88-H90 PolarHBondContact O-ND1 2.86Å; H90-L94 HydrophobicContact CB-CD1 4.43Å; H90-L94 HydrophobicContact CB-CD2 4.14Å; H90-L94 VanDerWaalsContact CD2-CD1 3.44Å; H90-L94 WeakPolarHBondContact CD2-CD1 3.33Å; H90-L94 VanDerWaalsContact CD2-CG 3.46Å; H90-L94 WeakPolarHBondContact CD2-CG 3.48Å; H90-L94 WeakPolarHBondContact CE1-CD1 3.32Å; H90-L94 VanDerWaalsContact NE2-CD1 3.31Å; H90-L94 WeakPolarHBondContact NE2-CD1 3.41Å |
| 91 | S | 85.6 | Confident | 87.6 | Confident | 31 Ų | 31 | 41.8 Ų | 41.8 | 22% | 0.217 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 148.2 | 163.8 | 65.4 | 0 | 0 | 0 | 0 | 110.6 | F58 A59 Y60 N141 | F58-S91 PolarHBondContact O-OG 3.42Å; A59-S91 WeakPolarHBondContact CA-OG 3.39Å; Y60-S91 WeakPolarHBondContact CD1-OG 3.26Å; Y60-S91 WeakPolarHBondContact CE1-OG 3.34Å; Y60-S91 PolarHBondContact N-OG 3Å; Y60-S91 PolarHBondContact O-N 3.29Å; S91-N141 PolarHBondContact O-ND2 3.03Å |
| 92 | G | 82.1 | Confident | 87.3 | Confident | 48 Ų | 48 | 49.1 Ų | 49.1 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 87.2 | 178.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 93 | E | 86.2 | Confident | 86.9 | Confident | 127 Ų | 127 | 54.6 Ų | 54.6 | 59% | 0.593 | 30% | 0.3 | S | S | * | . | trans | -79.2 | 136.8 | -174.2 | -177.5 | 177.4 | -168.4 | 0 | 0 | 111.7 | T142 | E93-T142 HydrophobicContact CB-CG2 4.44Å; E93-T142 HydrophobicContact CG-CG2 4.34Å; E93-T142 WeakPolarHBondContact O-CB 3.15Å; E93-T142 WeakPolarHBondContact O-CG2 3.46Å; E93-T142 PolarHBondContact O-N 3.1Å; E93-T142 PolarHBondContact O-OG1 2.84Å | ||
| 94 | L | 89.7 | Confident | 85.4 | Confident | 19 Ų | 19 | 60.1 Ų | 60.1 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 149.2 | 178.5 | -61.4 | -175 | 0 | 0 | 0 | 112.1 | L61 A87 H90 F96 V139 N140 N141 | L61-L94 HydrophobicContact CD1-CD2 4.07Å; A87-L94 HydrophobicContact CB-CD1 4.04Å; H90-L94 HydrophobicContact CB-CD1 4.43Å; H90-L94 HydrophobicContact CB-CD2 4.14Å; H90-L94 VanDerWaalsContact CD2-CD1 3.44Å; H90-L94 WeakPolarHBondContact CD2-CD1 3.33Å; H90-L94 VanDerWaalsContact CD2-CG 3.46Å; H90-L94 WeakPolarHBondContact CD2-CG 3.48Å; H90-L94 WeakPolarHBondContact CE1-CD1 3.32Å; H90-L94 VanDerWaalsContact NE2-CD1 3.31Å; H90-L94 WeakPolarHBondContact NE2-CD1 3.41Å; L94-F96 HydrophobicContact CB-CE1 4.31Å; L94-F96 HydrophobicContact CB-CE2 3.99Å; L94-F96 HydrophobicContact CB-CZ 3.79Å; L94-F96 HydrophobicContact CD1-CE1 3.93Å; L94-F96 HydrophobicContact CD1-CZ 3.62Å; L94-F96 HydrophobicContact CG-CZ 4.38Å; L94-V139 HydrophobicContact CB-CG1 4.38Å; L94-V139 HydrophobicContact CD1-CG1 3.63Å; L94-V139 HydrophobicContact CD2-CG1 3.97Å; L94-V139 HydrophobicContact CG-CG1 4.21Å; L94-N140 CarbonylContact C-O 3.54Å; L94-N140 WeakPolarHBondContact CA-O 3.34Å; L94-N141 HydrophobicContact CD2-CB 3.96Å |
| 95 | I | 90.6 | Very high | 84.3 | Confident | 95 Ų | 95 | 63.5 Ų | 63.5 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.1 | 165.6 | -66.1 | 170.3 | 0 | 0 | 0 | 107.8 | N140 T142 | I95-N140 HydrophobicContact CB-CB 4.29Å; I95-N140 PolarHBondContact N-O 2.95Å; I95-N140 PolarHBondContact O-N 3.32Å; I95-T142 HydrophobicContact CD1-CG2 3.55Å; I95-T142 HydrophobicContact CG1-CG2 3.58Å |
| 96 | F | 90.6 | Very high | 83.9 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 10% | 0.101 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 138.8 | 179.6 | -59.4 | -76.1 | 0 | 0 | 0 | 111.4 | A87 L94 I115 Q117 G120 V138 V139 | A87-F96 HydrophobicContact CB-CE1 3.71Å; A87-F96 HydrophobicContact CB-CZ 4.01Å; L94-F96 HydrophobicContact CB-CE1 4.31Å; L94-F96 HydrophobicContact CB-CE2 3.99Å; L94-F96 HydrophobicContact CB-CZ 3.79Å; L94-F96 HydrophobicContact CD1-CE1 3.93Å; L94-F96 HydrophobicContact CD1-CZ 3.62Å; L94-F96 HydrophobicContact CG-CZ 4.38Å; F96-I115 HydrophobicContact CB-CG2 3.93Å; F96-Q117 WeakPolarHBondContact CE2-O 3.41Å; F96-G120 VanDerWaalsContact CD1-CA 3.46Å; F96-G120 VanDerWaalsContact CD2-CA 3.42Å; F96-V138 WeakPolarHBondContact CA-O 3.07Å; F96-V139 HydrophobicContact CD1-CG1 4.33Å; F96-V139 HydrophobicContact CD1-CG2 3.97Å; F96-V139 HydrophobicContact CE1-CG1 3.96Å; F96-V139 HydrophobicContact CE1-CG2 3.96Å |
| 97 | A | 91.8 | Very high | 84.4 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 17% | 0.174 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 167.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V138 | A97-V138 HydrophobicContact CB-CB 4.1Å; A97-V138 PolarHBondContact N-O 3.12Å; A97-V138 WeakPolarHBondContact O-CA 3.26Å; A97-V138 WeakPolarHBondContact O-CB 3.09Å; A97-V138 PolarHBondContact O-N 3.43Å |
| 98 | W | 92.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143.2 | 175 | -78.3 | 80.3 | 0 | 0 | 0 | 110 | L83 C85 S106 V107 I115 G120 L122 Y135 T136 C137 | L83-W98 HydrophobicContact CB-CH2 3.83Å; L83-W98 HydrophobicContact CB-CZ2 4.19Å; L83-W98 HydrophobicContact CB-CZ3 4.33Å; L83-W98 WeakPolarHBondContact O-CZ2 3.45Å; C85-W98 HydrophobicContact CB-CZ2 4Å; W98-S106 CarbonylContact O-C 3.55Å; W98-S106 WeakPolarHBondContact O-CA 3.39Å; W98-S106 WeakPolarHBondContact O-CB 3.21Å; W98-V107 HydrophobicContact CB-CB 4Å; W98-V107 HydrophobicContact CB-CG2 3.68Å; W98-V107 PolarHBondContact O-N 3.42Å; W98-I115 HydrophobicContact CB-CD1 4.47Å; W98-G120 PolarHBondContact NE1-O 3.25Å; W98-L122 HydrophobicContact CB-CD2 4.12Å; W98-L122 HydrophobicContact CD2-CB 3.93Å; W98-L122 HydrophobicContact CD2-CD2 4.09Å; W98-L122 HydrophobicContact CE3-CD2 4.47Å; W98-L122 HydrophobicContact CG-CB 3.96Å; W98-L122 HydrophobicContact CG-CD2 3.94Å; W98-L122 HydrophobicContact CZ2-CB 4.16Å; W98-Y135 HydrophobicContact CE3-CD1 4.46Å; W98-T136 CarbonylContact C-O 3.45Å; W98-T136 WeakPolarHBondContact CA-O 2.86Å; W98-T136 VanDerWaalsContact CE3-C 3.41Å; W98-C137 HydrophobicContact CD2-CB 4.1Å; W98-C137 HydrophobicContact CE3-CB 4.16Å; W98-C137 HydrophobicContact CH2-CB 3.84Å; W98-C137 HydrophobicContact CZ2-CB 3.71Å; W98-C137 HydrophobicContact CZ3-CB 4.04Å |
| 99 | I | 92 | Very high | 84.4 | Confident | 30 Ų | 30 | 73.6 Ų | 73.6 | 15% | 0.154 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 139.9 | 171.6 | -67.9 | 165.2 | 0 | 0 | 0 | 108.1 | Y103 Y135 T136 V138 L149 | I99-Y103 WeakPolarHBondContact CG2-O 3.46Å; I99-Y135 WeakPolarHBondContact O-CA 3.48Å; I99-T136 PolarHBondContact N-O 2.83Å; I99-T136 PolarHBondContact O-N 2.98Å; I99-V138 HydrophobicContact CD1-CG2 3.52Å; I99-V138 HydrophobicContact CG1-CG2 3.76Å; I99-L149 HydrophobicContact CD1-CD2 4.06Å |
| 100 | F | 91.4 | Very high | 84.3 | Confident | 50 Ų | 50 | 74.5 Ų | 74.5 | 22% | 0.219 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.3 | 175.7 | 176.6 | -114.1 | 0 | 0 | 0 | 109.8 | E102 Y103 V107 S130 V132 Y135 | F100-E102 PolarHBondContact O-N 2.95Å; F100-Y103 WeakPolarHBondContact O-CD2 3.4Å; F100-Y103 PolarHBondContact O-N 3.25Å; F100-V107 HydrophobicContact CB-CG2 4.14Å; F100-S130 WeakPolarHBondContact CZ-O 3.39Å; F100-V132 WeakPolarHBondContact CZ-O 3.43Å; F100-Y135 HydrophobicContact CB-CE1 4.29Å; F100-Y135 HydrophobicContact CD2-CD1 4.17Å; F100-Y135 HydrophobicContact CD2-CD2 4.26Å; F100-Y135 AromaticContact CD2-CE1 3.66Å; F100-Y135 HydrophobicContact CD2-CE1 3.66Å; F100-Y135 AromaticContact CD2-CE2 3.76Å; F100-Y135 HydrophobicContact CD2-CE2 3.76Å; F100-Y135 HydrophobicContact CD2-CG 4.45Å; F100-Y135 AromaticContact CD2-CZ 3.44Å; F100-Y135 VanDerWaalsContact CD2-CZ 3.44Å; F100-Y135 HydrophobicContact CE2-CE1 4.41Å; F100-Y135 AromaticContact CE2-CE2 3.85Å; F100-Y135 HydrophobicContact CE2-CE2 3.85Å; F100-Y135 AromaticContact CE2-CZ 3.74Å; F100-Y135 HydrophobicContact CG-CE1 4.33Å |
| 101 | N | 89 | Confident | 84 | Confident | 59 Ų | 59 | 74.9 Ų | 74.9 | 32% | 0.316 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 40.8 | 178.5 | -68.1 | -22.5 | 0 | 0 | 0 | 114.3 | Y103 G133 N134 | N101-Y103 HydrophobicContact CB-CD2 3.91Å; N101-Y103 HydrophobicContact CB-CE2 3.94Å; N101-Y103 VanDerWaalsContact O-CD2 3.24Å; N101-Y103 WeakPolarHBondContact O-CD2 3.43Å; N101-Y103 PolarHBondContact O-N 3.04Å; N101-G133 VanDerWaalsContact OD1-CA 3.27Å; N101-G133 WeakPolarHBondContact OD1-CA 3.38Å; N101-N134 PolarHBondContact N-O 3.27Å; N101-N134 PolarHBondContact OD1-N 2.81Å |
| 102 | E | 79 | Confident | 84 | Confident | 167 Ų | 167 | 74.9 Ų | 74.9 | 78% | 0.78 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 8 | 176.3 | -52.7 | -174.5 | 170.2 | 0 | 0 | 116.1 | F100 | F100-E102 PolarHBondContact O-N 2.95Š|
| 103 | Y | 78.2 | Confident | 84.3 | Confident | 153 Ų | 153 | 74.9 Ų | 74.9 | 60% | 0.6 | 37% | 0.371 | S | S | * | . | trans | -72.8 | 147.5 | 176.4 | -71 | -79.9 | 0 | 0 | 0 | 112.4 | I99 F100 N101 Y105 | I99-Y103 WeakPolarHBondContact CG2-O 3.46Å; F100-Y103 WeakPolarHBondContact O-CD2 3.4Å; F100-Y103 PolarHBondContact O-N 3.25Å; N101-Y103 HydrophobicContact CB-CD2 3.91Å; N101-Y103 HydrophobicContact CB-CE2 3.94Å; N101-Y103 VanDerWaalsContact O-CD2 3.24Å; N101-Y103 WeakPolarHBondContact O-CD2 3.43Å; N101-Y103 PolarHBondContact O-N 3.04Å; Y103-Y105 PolarHBondContact O-N 2.59Å; Y103-Y105 VanDerWaalsContact O-N 3.14Å | ||
| 104 | P | 58.8 | Low | 84.4 | Confident | 117 Ų | 117 | 69.6 Ų | 69.6 | 76% | 0.76 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -69.3 | -12.2 | -173.9 | 26.4 | -34.5 | 0 | 0 | 0 | 114.7 | ||
| 105 | Y | 64.4 | Low | 84.3 | Confident | 187 Ų | 187 | 68.9 Ų | 68.9 | 73% | 0.733 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -89.4 | 125.8 | 177.7 | -62.5 | -75.2 | 0 | 0 | 0 | 110.6 | Y103 | Y103-Y105 PolarHBondContact O-N 2.59Å; Y103-Y105 VanDerWaalsContact O-N 3.14Å |
| 106 | S | 79.3 | Confident | 84 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 44% | 0.441 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -66 | 151.3 | 173.6 | 56.9 | 0 | 0 | 0 | 0 | 111.1 | W98 Q108 | W98-S106 CarbonylContact O-C 3.55Å; W98-S106 WeakPolarHBondContact O-CA 3.39Å; W98-S106 WeakPolarHBondContact O-CB 3.21Å; S106-Q108 PolarHBondContact O-N 3.07Å |
| 107 | V | 85.9 | Confident | 83.5 | Confident | 11 Ų | 11 | 66.7 Ų | 66.7 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | trans | -50.7 | 114.2 | 170.5 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | W98 F100 R113 L122 Y135 | W98-V107 HydrophobicContact CB-CB 4Å; W98-V107 HydrophobicContact CB-CG2 3.68Å; W98-V107 PolarHBondContact O-N 3.42Å; F100-V107 HydrophobicContact CB-CG2 4.14Å; V107-R113 HydrophobicContact CG1-CB 4.48Å; V107-L122 HydrophobicContact CG1-CD1 4.01Å; V107-L122 HydrophobicContact CG1-CD2 4.18Å; V107-L122 HydrophobicContact CG2-CD2 4.25Å; V107-Y135 HydrophobicContact CG2-CD1 4.12Å; V107-Y135 HydrophobicContact CG2-CE1 3.94Å | ||
| 108 | Q | 83.4 | Confident | 82.9 | Confident | 149 Ų | 149 | 71.7 Ų | 71.7 | 70% | 0.696 | 35% | 0.35 | S | S | * | . | trans | -70.3 | 138.2 | 176.6 | -67.5 | -172.9 | -18.7 | 0 | 0 | 109.3 | S106 | S106-Q108 PolarHBondContact O-N 3.07Š| ||
| 109 | Q | 86.4 | Confident | 82.4 | Confident | 78 Ų | 78 | 74.5 Ų | 74.5 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | trans | -86.1 | 131.8 | 175.1 | -58.7 | -173.2 | 48.9 | 0 | 0 | 108.8 | R113 I115 N235 | Q109-R113 CarbonylContact C-O 3.58Å; Q109-R113 VanDerWaalsContact CA-O 3.27Å; Q109-R113 WeakPolarHBondContact CA-O 3.28Å; Q109-I115 HydrophobicContact CG-CB 4.4Å; Q109-I115 HydrophobicContact CG-CD1 4.08Å; Q109-I115 HydrophobicContact CG-CG1 4.13Å; Q109-N235 PolarHBondContact OE1-ND2 2.88Å | ||
| 110 | D | 85.1 | Confident | 82.2 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 34% | 0.337 | 36% | 0.36 | S | S | . | . | trans | -144.6 | -165.5 | 178.8 | 62.1 | 31.2 | 0 | 0 | 0 | 109.7 | R112 R113 | D110-R112 PolarHBondContact O-N 3.33Å; D110-R112 VanDerWaalsContact OD1-CA 3.3Å; D110-R112 WeakPolarHBondContact OD1-CA 3.29Å; D110-R112 WeakPolarHBondContact OD1-CB 3.42Å; D110-R112 PolarHBondContact OD1-N 3.43Å; D110-R113 PolarHBondContact N-O 2.78Å; D110-R113 PolarHBondContact OD1-N 3.35Å | ||
| 111 | S | 82.3 | Confident | 82.1 | Confident | 82 Ų | 82 | 71 Ų | 71 | 57% | 0.573 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -66.9 | -21.6 | 177.2 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | V214 S236 | S111-V214 WeakPolarHBondContact O-CG1 3.31Å; S111-S236 PolarHBondContact N-OG 3.26Å |
| 112 | R | 86.4 | Confident | 82.1 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 12% | 0.117 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -99.6 | -32.9 | -177.6 | -171.3 | 170.6 | 71.3 | 79.5 | -8.8 | 112.6 | D110 I124 A125 K126 E128 D131 V214 | D110-R112 PolarHBondContact O-N 3.33Å; D110-R112 VanDerWaalsContact OD1-CA 3.3Å; D110-R112 WeakPolarHBondContact OD1-CA 3.29Å; D110-R112 WeakPolarHBondContact OD1-CB 3.42Å; D110-R112 PolarHBondContact OD1-N 3.43Å; R112-I124 CarbonylContact O-C 3.58Å; R112-I124 WeakPolarHBondContact O-CA 3.39Å; R112-A125 PolarHBondContact O-N 3.19Å; R112-K126 WeakPolarHBondContact CD-O 3.22Å; R112-K126 HydrophobicContact CG-CB 4.34Å; R112-K126 PolarHBondContact NH1-O 2.93Å; R112-E128 IonicContact CZ-OE2 3.68Å; R112-E128 IonicContact NE-OE2 3.58Å; R112-E128 IonicContact NH2-OE2 2.65Å; R112-D131 IonicContact CZ-OD1 2.92Å; R112-D131 IonicContact CZ-OD2 2.68Å; R112-D131 VanDerWaalsContact NH1-CG 3.27Å; R112-D131 IonicContact NH1-OD1 3.92Å; R112-D131 PolarHBondContact NH1-OD1 2.83Å; R112-D131 VanDerWaalsContact NH1-OD1 3.12Å; R112-D131 IonicContact NH1-OD2 2.83Å; R112-D131 PolarHBondContact NH1-OD2 3.39Å; R112-D131 IonicContact NH2-OD1 2.73Å; R112-D131 PolarHBondContact NH2-OD1 2.92Å; R112-D131 IonicContact NH2-OD2 2.91Å; R112-V214 HydrophobicContact CB-CG2 4.17Å; R112-V214 HydrophobicContact CG-CG2 3.91Å |
| 113 | R | 88.3 | Confident | 82.5 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 18% | 0.181 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.3 | -177.2 | -61.4 | 177.4 | -175.1 | 164.9 | -2.4 | 110.6 | V107 Q109 D110 Y123 I124 D131 | V107-R113 HydrophobicContact CG1-CB 4.48Å; Q109-R113 CarbonylContact C-O 3.58Å; Q109-R113 VanDerWaalsContact CA-O 3.27Å; Q109-R113 WeakPolarHBondContact CA-O 3.28Å; D110-R113 PolarHBondContact N-O 2.78Å; D110-R113 PolarHBondContact OD1-N 3.35Å; R113-Y123 CarbonylContact C-O 3.47Å; R113-Y123 VanDerWaalsContact CA-O 3.27Å; R113-Y123 WeakPolarHBondContact CA-O 3.33Å; R113-I124 HydrophobicContact CG-CG1 4.4Å; R113-I124 HydrophobicContact CG-CG2 4.43Å; R113-D131 IonicContact CZ-OD1 3.26Å; R113-D131 IonicContact NE-OD1 2.7Å; R113-D131 PolarHBondContact NE-OD1 3.02Å; R113-D131 IonicContact NH2-OD1 3.95Å; R113-D131 PolarHBondContact NH2-OD1 2.87Å |
| 114 | F | 86.6 | Confident | 83 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 144.7 | -176.5 | -177 | -80.5 | 0 | 0 | 0 | 111.7 | L122 Y123 F208 N235 A238 V239 | F114-L122 CarbonylContact O-C 3.56Å; F114-L122 WeakPolarHBondContact O-CA 3.21Å; F114-Y123 HydrophobicContact CD1-CD2 4.34Å; F114-Y123 PolarHBondContact N-O 3.18Å; F114-Y123 PolarHBondContact O-N 2.81Å; F114-F208 AromaticContact CD1-CD1 3.49Å; F114-F208 HydrophobicContact CD1-CD1 3.49Å; F114-F208 VanDerWaalsContact CD1-CD1 3.49Å; F114-F208 AromaticContact CD1-CE1 3.17Å; F114-F208 HydrophobicContact CD1-CE1 3.17Å; F114-F208 HydrophobicContact CD1-CZ 4.31Å; F114-F208 AromaticContact CE1-CD1 3.75Å; F114-F208 HydrophobicContact CE1-CD1 3.75Å; F114-F208 AromaticContact CE1-CE1 3.04Å; F114-F208 HydrophobicContact CE1-CE1 3.04Å; F114-F208 AromaticContact CE1-CZ 3.79Å; F114-F208 HydrophobicContact CE1-CZ 3.79Å; F114-F208 HydrophobicContact CG-CD1 4.33Å; F114-F208 HydrophobicContact CG-CE1 4.35Å; F114-F208 HydrophobicContact CZ-CE1 4.11Å; F114-N235 HydrophobicContact CD2-CB 3.76Å; F114-N235 HydrophobicContact CE2-CB 3.36Å; F114-N235 VanDerWaalsContact CE2-ND2 3.29Å; F114-N235 WeakPolarHBondContact CE2-ND2 3.36Å; F114-A238 HydrophobicContact CD2-CB 3.62Å; F114-A238 HydrophobicContact CE2-CB 3.4Å; F114-A238 VanDerWaalsContact CE2-CB 3.4Å; F114-A238 HydrophobicContact CG-CB 4.46Å; F114-A238 HydrophobicContact CZ-CB 4.15Å; F114-V239 HydrophobicContact CE2-CG2 3.77Å; F114-V239 HydrophobicContact CZ-CG2 3.43Å; F114-V239 VanDerWaalsContact CZ-CG2 3.43Å |
| 115 | I | 88.1 | Confident | 84.2 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.7 | 177.4 | -57.7 | 165.7 | 0 | 0 | 0 | 109.2 | F96 W98 Q109 Q117 S121 L122 | F96-I115 HydrophobicContact CB-CG2 3.93Å; W98-I115 HydrophobicContact CB-CD1 4.47Å; Q109-I115 HydrophobicContact CG-CB 4.4Å; Q109-I115 HydrophobicContact CG-CD1 4.08Å; Q109-I115 HydrophobicContact CG-CG1 4.13Å; I115-Q117 PolarHBondContact O-N 3.39Å; I115-S121 WeakPolarHBondContact CA-O 3.36Å; I115-L122 HydrophobicContact CG1-CB 4.5Å; I115-L122 HydrophobicContact CG1-CD1 3.88Å |
| 116 | S | 84.6 | Confident | 85.1 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | trans | -61.4 | 130.5 | 175.3 | 172 | 0 | 0 | 0 | 0 | 111 | E118 T119 G120 S121 E206 | S116-E118 VanDerWaalsContact C-N 3.32Å; S116-E118 PolarHBondContact OG-N 2.86Å; S116-T119 VanDerWaalsContact CB-OG1 3.3Å; S116-T119 WeakPolarHBondContact CB-OG1 3.29Å; S116-T119 PolarHBondContact OG-N 3.17Å; S116-T119 PolarHBondContact OG-OG1 3.29Å; S116-G120 WeakPolarHBondContact O-CA 3.3Å; S116-G120 PolarHBondContact O-N 2.86Å; S116-S121 PolarHBondContact N-O 2.84Å; S116-E206 WeakPolarHBondContact CB-OE2 3.38Å; S116-E206 PolarHBondContact OG-OE2 2.98Å | ||
| 117 | Q | 81.1 | Confident | 85.5 | Confident | 70 Ų | 70 | 39.5 Ų | 39.5 | 33% | 0.327 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -25.1 | 173.5 | -55 | -175.6 | 7.8 | 0 | 0 | 111.4 | F96 I115 E206 | F96-Q117 WeakPolarHBondContact CE2-O 3.41Å; I115-Q117 PolarHBondContact O-N 3.39Å; Q117-E206 WeakPolarHBondContact CA-OE1 3.2Å; Q117-E206 WeakPolarHBondContact CB-OE1 3.38Å; Q117-E206 VanDerWaalsContact CG-OE1 3.31Å; Q117-E206 WeakPolarHBondContact CG-OE1 3.4Å; Q117-E206 PolarHBondContact N-OE1 2.92Å; Q117-E206 PolarHBondContact N-OE2 2.67Å |
| 118 | E | 78 | Confident | 85.4 | Confident | 126 Ų | 126 | 41.7 Ų | 41.7 | 59% | 0.589 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -47.1 | 178 | -172.9 | 176.3 | -177.9 | 0 | 0 | 112 | S116 | S116-E118 VanDerWaalsContact C-N 3.32Å; S116-E118 PolarHBondContact OG-N 2.86Å |
| 119 | T | 82 | Confident | 85.5 | Confident | 59 Ų | 59 | 38.2 Ų | 38.2 | 36% | 0.362 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -13.5 | -172.1 | 68.5 | 0 | 0 | 0 | 0 | 114.4 | S116 S121 | S116-T119 VanDerWaalsContact CB-OG1 3.3Å; S116-T119 WeakPolarHBondContact CB-OG1 3.29Å; S116-T119 PolarHBondContact OG-N 3.17Å; S116-T119 PolarHBondContact OG-OG1 3.29Å; T119-S121 PolarHBondContact O-N 3.18Å; T119-S121 WeakPolarHBondContact OG1-CB 3.48Å; T119-S121 PolarHBondContact OG1-N 3.29Å; T119-S121 PolarHBondContact OG1-OG 2.92Å; T119-S121 VanDerWaalsContact OG1-OG 3.06Å |
| 120 | G | 87.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | 71.5 | -0.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C85 F96 W98 S116 | C85-G120 WeakPolarHBondContact CB-O 3.43Å; F96-G120 VanDerWaalsContact CD1-CA 3.46Å; F96-G120 VanDerWaalsContact CD2-CA 3.42Å; W98-G120 PolarHBondContact NE1-O 3.25Å; S116-G120 WeakPolarHBondContact O-CA 3.3Å; S116-G120 PolarHBondContact O-N 2.86Å | ||
| 121 | S | 89.1 | Confident | 85.7 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | trans | -66.7 | 139.5 | -177.2 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | L83 I115 S116 T119 Y123 | L83-S121 CarbonylContact O-C 3.57Å; L83-S121 WeakPolarHBondContact O-CA 3.38Å; I115-S121 WeakPolarHBondContact CA-O 3.36Å; S116-S121 PolarHBondContact N-O 2.84Å; T119-S121 PolarHBondContact O-N 3.18Å; T119-S121 WeakPolarHBondContact OG1-CB 3.48Å; T119-S121 PolarHBondContact OG1-N 3.29Å; T119-S121 PolarHBondContact OG1-OG 2.92Å; T119-S121 VanDerWaalsContact OG1-OG 3.06Å; S121-Y123 VanDerWaalsContact O-CD2 3.29Å; S121-Y123 WeakPolarHBondContact O-CD2 3.48Å; S121-Y123 VanDerWaalsContact O-CE2 3.26Å; S121-Y123 WeakPolarHBondContact O-CE2 3.25Å | ||
| 122 | L | 90.6 | Very high | 86 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.9 | 176.4 | 170 | 62.7 | 0 | 0 | 0 | 109.9 | V82 L83 W98 V107 F114 I115 I124 Y135 | V82-L122 WeakPolarHBondContact CA-O 3.37Å; L83-L122 HydrophobicContact CB-CB 4.32Å; L83-L122 HydrophobicContact CD1-CD2 4.2Å; L83-L122 PolarHBondContact N-O 2.88Å; L83-L122 PolarHBondContact O-N 3.12Å; W98-L122 HydrophobicContact CB-CD2 4.12Å; W98-L122 HydrophobicContact CD2-CB 3.93Å; W98-L122 HydrophobicContact CD2-CD2 4.09Å; W98-L122 HydrophobicContact CE3-CD2 4.47Å; W98-L122 HydrophobicContact CG-CB 3.96Å; W98-L122 HydrophobicContact CG-CD2 3.94Å; W98-L122 HydrophobicContact CZ2-CB 4.16Å; V107-L122 HydrophobicContact CG1-CD1 4.01Å; V107-L122 HydrophobicContact CG1-CD2 4.18Å; V107-L122 HydrophobicContact CG2-CD2 4.25Å; F114-L122 CarbonylContact O-C 3.56Å; F114-L122 WeakPolarHBondContact O-CA 3.21Å; I115-L122 HydrophobicContact CG1-CB 4.5Å; I115-L122 HydrophobicContact CG1-CD1 3.88Å; L122-I124 HydrophobicContact CG-CG1 4.29Å; L122-Y135 HydrophobicContact CD2-CD1 3.63Å; L122-Y135 HydrophobicContact CD2-CE1 3.73Å |
| 123 | Y | 87.2 | Confident | 86.2 | Confident | 24 Ų | 24 | 33 Ų | 33 | 9% | 0.094 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.7 | 178.4 | -60.5 | -100.2 | 0 | 0 | 0 | 108.5 | V82 R113 F114 S121 I187 F208 | V82-Y123 HydrophobicContact CB-CD1 4.32Å; V82-Y123 HydrophobicContact CB-CE1 4.37Å; V82-Y123 HydrophobicContact CG1-CD1 3.97Å; V82-Y123 HydrophobicContact CG1-CE1 3.71Å; V82-Y123 HydrophobicContact CG1-CG 4.49Å; V82-Y123 HydrophobicContact CG2-CD1 3.5Å; V82-Y123 HydrophobicContact CG2-CE1 3.69Å; V82-Y123 HydrophobicContact CG2-CG 4.45Å; R113-Y123 CarbonylContact C-O 3.47Å; R113-Y123 VanDerWaalsContact CA-O 3.27Å; R113-Y123 WeakPolarHBondContact CA-O 3.33Å; F114-Y123 HydrophobicContact CD1-CD2 4.34Å; F114-Y123 PolarHBondContact N-O 3.18Å; F114-Y123 PolarHBondContact O-N 2.81Å; S121-Y123 VanDerWaalsContact O-CD2 3.29Å; S121-Y123 WeakPolarHBondContact O-CD2 3.48Å; S121-Y123 VanDerWaalsContact O-CE2 3.26Å; S121-Y123 WeakPolarHBondContact O-CE2 3.25Å; Y123-I187 HydrophobicContact CE1-CG2 4.06Å; Y123-F208 HydrophobicContact CD1-CB 4.21Å; Y123-F208 HydrophobicContact CD1-CD1 4.15Å; Y123-F208 HydrophobicContact CD1-CG 4.37Å; Y123-F208 AromaticContact CD2-CD1 3.66Å; Y123-F208 HydrophobicContact CD2-CD1 3.66Å; Y123-F208 AromaticContact CD2-CE1 3.7Å; Y123-F208 HydrophobicContact CD2-CE1 3.7Å; Y123-F208 HydrophobicContact CE1-CB 4.31Å; Y123-F208 HydrophobicContact CE1-CD1 4.2Å; Y123-F208 HydrophobicContact CE1-CG 4.22Å; Y123-F208 AromaticContact CE2-CD1 3.74Å; Y123-F208 HydrophobicContact CE2-CD1 3.74Å; Y123-F208 AromaticContact CE2-CE1 3.47Å; Y123-F208 HydrophobicContact CE2-CE1 3.47Å; Y123-F208 VanDerWaalsContact CE2-CE1 3.47Å; Y123-F208 HydrophobicContact CE2-CG 4.44Å; Y123-F208 HydrophobicContact CE2-CZ 4.13Å; Y123-F208 AromaticContact CG-CD1 3.9Å; Y123-F208 HydrophobicContact CG-CD1 3.9Å; Y123-F208 HydrophobicContact CG-CE1 4.4Å; Y123-F208 AromaticContact CZ-CE1 3.98Å |
| 124 | I | 89.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 107.2 | 172.9 | -52 | 178.1 | 0 | 0 | 0 | 106.5 | G80 V81 R112 R113 L122 K126 V127 L155 | G80-I124 CarbonylContact C-O 3.58Å; G80-I124 WeakPolarHBondContact CA-O 3.05Å; V81-I124 HydrophobicContact CG1-CB 3.91Å; V81-I124 HydrophobicContact CG1-CD1 4.21Å; V81-I124 HydrophobicContact CG1-CG1 4.3Å; V81-I124 PolarHBondContact N-O 3.45Å; V81-I124 PolarHBondContact O-N 2.85Å; R112-I124 CarbonylContact O-C 3.58Å; R112-I124 WeakPolarHBondContact O-CA 3.39Å; R113-I124 HydrophobicContact CG-CG1 4.4Å; R113-I124 HydrophobicContact CG-CG2 4.43Å; L122-I124 HydrophobicContact CG-CG1 4.29Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 3.27Å; I124-V127 HydrophobicContact CB-CG2 4.36Å; I124-V127 HydrophobicContact CG2-CG2 3.98Å; I124-L155 HydrophobicContact CD1-CD2 4.12Å |
| 125 | A | 83.6 | Confident | 86.6 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -66.1 | -32.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G80 R112 G211 V214 | G80-A125 VanDerWaalsContact CA-O 3.3Å; G80-A125 WeakPolarHBondContact CA-O 3.36Å; R112-A125 PolarHBondContact O-N 3.19Å; A125-G211 PolarHBondContact O-N 2.78Å; A125-V214 HydrophobicContact CB-CG1 4Å; A125-V214 HydrophobicContact CB-CG2 4.24Å |
| 126 | K | 83.7 | Confident | 86.7 | Confident | 52 Ų | 52 | 33.7 Ų | 33.7 | 23% | 0.226 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -145.2 | 113.5 | 178.5 | -177.8 | -164.7 | 171.3 | -138.8 | 0 | 109 | R112 I124 E128 V214 | R112-K126 WeakPolarHBondContact CD-O 3.22Å; R112-K126 HydrophobicContact CG-CB 4.34Å; R112-K126 PolarHBondContact NH1-O 2.93Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 3.27Å; K126-E128 IonicContact NZ-OE1 3.82Å; K126-E128 PolarHBondContact NZ-OE1 2.89Å; K126-V214 HydrophobicContact CB-CG2 3.71Å; K126-V214 HydrophobicContact CD-CG2 4.37Å |
| 127 | V | 85.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | trans | -79.3 | 134.4 | 178 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | V75 G78 Q79 V81 I124 D131 L155 L157 | V75-V127 HydrophobicContact CG1-CB 4.23Å; V75-V127 HydrophobicContact CG1-CG1 3.79Å; V75-V127 HydrophobicContact CG1-CG2 4.05Å; V75-V127 HydrophobicContact CG2-CB 4.42Å; V75-V127 HydrophobicContact CG2-CG2 4.02Å; G78-V127 PolarHBondContact N-O 3.08Å; Q79-V127 WeakPolarHBondContact O-CB 3.28Å; Q79-V127 VanDerWaalsContact O-CG2 3.27Å; Q79-V127 WeakPolarHBondContact O-CG2 3.42Å; Q79-V127 PolarHBondContact O-N 3.48Å; V81-V127 HydrophobicContact CB-CG2 4.24Å; V81-V127 HydrophobicContact CG1-CG2 3.53Å; I124-V127 HydrophobicContact CB-CG2 4.36Å; I124-V127 HydrophobicContact CG2-CG2 3.98Å; V127-D131 WeakPolarHBondContact CA-OD2 3.48Å; V127-D131 HydrophobicContact CG1-CB 4.26Å; V127-L155 HydrophobicContact CG1-CD2 4.41Å; V127-L157 HydrophobicContact CG1-CD2 3.97Å | ||
| 128 | E | 85.6 | Confident | 87.6 | Confident | 58 Ų | 58 | 30.4 Ų | 30.4 | 27% | 0.271 | 17% | 0.172 | S | C | . | . | trans | -120.7 | 159.3 | 176.5 | -64.4 | -179.4 | 161.8 | 0 | 0 | 109.5 | R112 K126 S130 D131 | R112-E128 IonicContact CZ-OE2 3.68Å; R112-E128 IonicContact NE-OE2 3.58Å; R112-E128 IonicContact NH2-OE2 2.65Å; K126-E128 IonicContact NZ-OE1 3.82Å; K126-E128 PolarHBondContact NZ-OE1 2.89Å; E128-S130 PolarHBondContact O-N 2.89Å; E128-D131 PolarHBondContact N-OD2 2.9Å; E128-D131 WeakPolarHBondContact O-CB 3.39Å; E128-D131 PolarHBondContact O-N 3.48Å | ||
| 129 | P | 84 | Confident | 88.2 | Confident | 76 Ų | 76 | 24.4 Ų | 24.4 | 49% | 0.494 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -53.8 | -30.4 | 179.2 | -28.1 | 36.6 | 0 | 0 | 0 | 114.2 | D131 V132 L157 | P129-D131 PolarHBondContact O-N 2.92Å; P129-V132 PolarHBondContact O-N 2.77Å; P129-L157 HydrophobicContact CB-CD1 4.24Å; P129-L157 HydrophobicContact CG-CD1 4.25Å |
| 130 | S | 86.6 | Confident | 88.7 | Confident | 75 Ų | 75 | 24.1 Ų | 24.1 | 52% | 0.524 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -69.3 | -13.6 | 175.9 | 57.1 | 0 | 0 | 0 | 0 | 114.9 | F100 E128 | F100-S130 WeakPolarHBondContact CZ-O 3.39Å; E128-S130 PolarHBondContact O-N 2.89Å |
| 131 | D | 89.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -87.7 | -8.3 | 177 | -53.2 | -42.8 | 0 | 0 | 0 | 112.2 | R112 R113 V127 E128 P129 G133 Y135 L155 | R112-D131 IonicContact CZ-OD1 2.92Å; R112-D131 IonicContact CZ-OD2 2.68Å; R112-D131 VanDerWaalsContact NH1-CG 3.27Å; R112-D131 IonicContact NH1-OD1 3.92Å; R112-D131 PolarHBondContact NH1-OD1 2.83Å; R112-D131 VanDerWaalsContact NH1-OD1 3.12Å; R112-D131 IonicContact NH1-OD2 2.83Å; R112-D131 PolarHBondContact NH1-OD2 3.39Å; R112-D131 IonicContact NH2-OD1 2.73Å; R112-D131 PolarHBondContact NH2-OD1 2.92Å; R112-D131 IonicContact NH2-OD2 2.91Å; R113-D131 IonicContact CZ-OD1 3.26Å; R113-D131 IonicContact NE-OD1 2.7Å; R113-D131 PolarHBondContact NE-OD1 3.02Å; R113-D131 IonicContact NH2-OD1 3.95Å; R113-D131 PolarHBondContact NH2-OD1 2.87Å; V127-D131 WeakPolarHBondContact CA-OD2 3.48Å; V127-D131 HydrophobicContact CG1-CB 4.26Å; E128-D131 PolarHBondContact N-OD2 2.9Å; E128-D131 WeakPolarHBondContact O-CB 3.39Å; E128-D131 PolarHBondContact O-N 3.48Å; P129-D131 PolarHBondContact O-N 2.92Å; D131-G133 PolarHBondContact O-N 2.85Å; D131-Y135 VanDerWaalsContact O-CE2 3.26Å; D131-Y135 WeakPolarHBondContact O-CE2 3.46Å; D131-Y135 PolarHBondContact O-OH 2.94Å; D131-L155 HydrophobicContact CB-CD2 4.28Å |
| 132 | V | 89.2 | Confident | 88.9 | Confident | 56 Ų | 56 | 25.6 Ų | 25.6 | 34% | 0.339 | 15% | 0.148 | S | C | . | . | trans | -67.5 | 126.2 | 178.6 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | F100 P129 L155 L157 | F100-V132 WeakPolarHBondContact CZ-O 3.43Å; P129-V132 PolarHBondContact O-N 2.77Å; V132-L155 WeakPolarHBondContact CG1-O 3.11Å; V132-L157 HydrophobicContact CG2-CB 4.02Å; V132-L157 HydrophobicContact CG2-CD1 3.62Å; V132-L157 HydrophobicContact CG2-CG 3.44Å; V132-L157 VanDerWaalsContact CG2-CG 3.44Å | ||
| 133 | G | 90.4 | Very high | 88.7 | Confident | 12 Ų | 12 | 29.9 Ų | 29.9 | 12% | 0.124 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | -171.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N101 D131 L155 | N101-G133 VanDerWaalsContact OD1-CA 3.27Å; N101-G133 WeakPolarHBondContact OD1-CA 3.38Å; D131-G133 PolarHBondContact O-N 2.85Å; G133-L155 PolarHBondContact N-O 2.85Å; G133-L155 PolarHBondContact O-N 2.84Å |
| 134 | N | 91.1 | Very high | 88.7 | Confident | 67 Ų | 67 | 30.7 Ų | 30.7 | 36% | 0.358 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.1 | -177.1 | -74 | -22.8 | 0 | 0 | 0 | 110.8 | N101 P152 P154 | N101-N134 PolarHBondContact N-O 3.27Å; N101-N134 PolarHBondContact OD1-N 2.81Å; N134-P152 HydrophobicContact CB-CB 4.1Å; N134-P154 WeakPolarHBondContact OD1-CA 3.06Å; N134-P154 WeakPolarHBondContact OD1-CB 3.4Å; N134-P154 WeakPolarHBondContact OD1-CG 3.4Å |
| 135 | Y | 92.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.4 | 179.9 | -74 | -89.6 | 0 | 0 | 0 | 111.4 | L83 W98 I99 F100 V107 L122 D131 T153 L155 | L83-Y135 HydrophobicContact CD1-CD1 4.01Å; L83-Y135 HydrophobicContact CD1-CD2 3.59Å; L83-Y135 HydrophobicContact CD1-CE2 4.14Å; L83-Y135 HydrophobicContact CD1-CG 3.5Å; L83-Y135 VanDerWaalsContact CD1-CG 3.5Å; W98-Y135 HydrophobicContact CE3-CD1 4.46Å; I99-Y135 WeakPolarHBondContact O-CA 3.48Å; F100-Y135 HydrophobicContact CB-CE1 4.29Å; F100-Y135 HydrophobicContact CD2-CD1 4.17Å; F100-Y135 HydrophobicContact CD2-CD2 4.26Å; F100-Y135 AromaticContact CD2-CE1 3.66Å; F100-Y135 HydrophobicContact CD2-CE1 3.66Å; F100-Y135 AromaticContact CD2-CE2 3.76Å; F100-Y135 HydrophobicContact CD2-CE2 3.76Å; F100-Y135 HydrophobicContact CD2-CG 4.45Å; F100-Y135 AromaticContact CD2-CZ 3.44Å; F100-Y135 VanDerWaalsContact CD2-CZ 3.44Å; F100-Y135 HydrophobicContact CE2-CE1 4.41Å; F100-Y135 AromaticContact CE2-CE2 3.85Å; F100-Y135 HydrophobicContact CE2-CE2 3.85Å; F100-Y135 AromaticContact CE2-CZ 3.74Å; F100-Y135 HydrophobicContact CG-CE1 4.33Å; V107-Y135 HydrophobicContact CG2-CD1 4.12Å; V107-Y135 HydrophobicContact CG2-CE1 3.94Å; L122-Y135 HydrophobicContact CD2-CD1 3.63Å; L122-Y135 HydrophobicContact CD2-CE1 3.73Å; D131-Y135 VanDerWaalsContact O-CE2 3.26Å; D131-Y135 WeakPolarHBondContact O-CE2 3.46Å; D131-Y135 PolarHBondContact O-OH 2.94Å; Y135-T153 PolarHBondContact N-O 3.42Å; Y135-T153 PolarHBondContact O-N 2.84Å; Y135-L155 HydrophobicContact CD2-CB 3.95Å; Y135-L155 HydrophobicContact CE2-CB 3.78Å; Y135-L155 HydrophobicContact CE2-CD2 3.88Å; Y135-L155 HydrophobicContact CE2-CG 4.49Å |
| 136 | T | 91.3 | Very high | 89 | Confident | 15 Ų | 15 | 42.9 Ų | 42.9 | 9% | 0.092 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.6 | 179 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | W98 I99 L149 S150 | W98-T136 CarbonylContact C-O 3.45Å; W98-T136 WeakPolarHBondContact CA-O 2.86Å; W98-T136 VanDerWaalsContact CE3-C 3.41Å; I99-T136 PolarHBondContact N-O 2.83Å; I99-T136 PolarHBondContact O-N 2.98Å; T136-L149 HydrophobicContact CG2-CB 3.96Å; T136-L149 HydrophobicContact CG2-CD2 4Å; T136-L149 HydrophobicContact CG2-CG 4.38Å; T136-S150 VanDerWaalsContact CG2-O 3.27Å; T136-S150 WeakPolarHBondContact CG2-O 3.16Å |
| 137 | C | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 135.4 | 174.5 | -171.4 | 0 | 0 | 0 | 0 | 109.6 | C85 W98 L149 S150 | C85-C137 HydrophobicContact CB-CB 3.91Å; C85-C137 WeakPolarHBondContact CB-SG 3.14Å; C85-C137 WeakPolarHBondContact SG-CB 3.17Å; C85-C137 CovalentContact SG-SG 2.03Å; C85-C137 PolarHBondContact SG-SG 2.76Å; W98-C137 HydrophobicContact CD2-CB 4.1Å; W98-C137 HydrophobicContact CE3-CB 4.16Å; W98-C137 HydrophobicContact CH2-CB 3.84Å; W98-C137 HydrophobicContact CZ2-CB 3.71Å; W98-C137 HydrophobicContact CZ3-CB 4.04Å; C137-L149 WeakPolarHBondContact O-CA 3.48Å; C137-S150 PolarHBondContact N-OG 3.04Å; C137-S150 PolarHBondContact O-N 2.78Å |
| 138 | V | 91.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.3 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | F96 A97 I99 K147 L149 | F96-V138 WeakPolarHBondContact CA-O 3.07Å; A97-V138 HydrophobicContact CB-CB 4.1Å; A97-V138 PolarHBondContact N-O 3.12Å; A97-V138 WeakPolarHBondContact O-CA 3.26Å; A97-V138 WeakPolarHBondContact O-CB 3.09Å; A97-V138 PolarHBondContact O-N 3.43Å; I99-V138 HydrophobicContact CD1-CG2 3.52Å; I99-V138 HydrophobicContact CG1-CG2 3.76Å; V138-K147 HydrophobicContact CG1-CD 4.16Å; V138-K147 HydrophobicContact CG1-CG 4.07Å; V138-L149 HydrophobicContact CG2-CD2 4.45Å; V138-L149 HydrophobicContact CG2-CG 4.3Å |
| 139 | V | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.3 | 177.2 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | L61 F64 L94 F96 K147 V148 | L61-V139 HydrophobicContact CD1-CG1 3.98Å; L61-V139 HydrophobicContact CD2-CG1 4.4Å; L61-V139 WeakPolarHBondContact CD2-O 3.41Å; F64-V139 HydrophobicContact CE2-CG2 4.47Å; F64-V139 HydrophobicContact CZ-CG2 3.95Å; L94-V139 HydrophobicContact CB-CG1 4.38Å; L94-V139 HydrophobicContact CD1-CG1 3.63Å; L94-V139 HydrophobicContact CD2-CG1 3.97Å; L94-V139 HydrophobicContact CG-CG1 4.21Å; F96-V139 HydrophobicContact CD1-CG1 4.33Å; F96-V139 HydrophobicContact CD1-CG2 3.97Å; F96-V139 HydrophobicContact CE1-CG1 3.96Å; F96-V139 HydrophobicContact CE1-CG2 3.96Å; V139-K147 WeakPolarHBondContact O-CA 3.46Å; V139-V148 PolarHBondContact N-O 3.37Å; V139-V148 PolarHBondContact O-N 3.3Å |
| 140 | N | 91.9 | Very high | 90.2 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 28% | 0.283 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 130 | 175.2 | -68.4 | -15.2 | 0 | 0 | 0 | 109.4 | L94 I95 Q146 K147 | L94-N140 CarbonylContact C-O 3.54Å; L94-N140 WeakPolarHBondContact CA-O 3.34Å; I95-N140 HydrophobicContact CB-CB 4.29Å; I95-N140 PolarHBondContact N-O 2.95Å; I95-N140 PolarHBondContact O-N 3.32Å; N140-Q146 WeakPolarHBondContact CA-O 3.44Å; N140-K147 VanDerWaalsContact OD1-CB 3.25Å; N140-K147 WeakPolarHBondContact OD1-CB 3.37Å; N140-K147 WeakPolarHBondContact OD1-CG 3.27Å |
| 141 | N | 91.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.011 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.6 | 170.7 | -175.1 | -53 | 0 | 0 | 0 | 109.4 | Y60 L61 S91 L94 V143 T144 K145 Q146 | Y60-N141 PolarHBondContact O-ND2 3.43Å; Y60-N141 VanDerWaalsContact O-ND2 3.11Å; L61-N141 HydrophobicContact CB-CB 3.9Å; L61-N141 HydrophobicContact CD2-CB 3.96Å; L61-N141 HydrophobicContact CG-CB 4.41Å; S91-N141 PolarHBondContact O-ND2 3.03Å; L94-N141 HydrophobicContact CD2-CB 3.96Å; N141-V143 PolarHBondContact O-N 2.96Å; N141-V143 WeakPolarHBondContact OD1-CA 3.36Å; N141-V143 WeakPolarHBondContact OD1-CB 3.27Å; N141-V143 PolarHBondContact OD1-N 3.11Å; N141-T144 WeakPolarHBondContact CB-OG1 3.03Å; N141-T144 PolarHBondContact OD1-N 3.41Å; N141-K145 WeakPolarHBondContact O-CA 3.35Å; N141-K145 PolarHBondContact O-N 2.82Å; N141-Q146 PolarHBondContact N-O 3.25Å |
| 142 | T | 89.1 | Confident | 90.3 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -25.6 | -175.5 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | E93 I95 K145 | E93-T142 HydrophobicContact CB-CG2 4.44Å; E93-T142 HydrophobicContact CG-CG2 4.34Å; E93-T142 WeakPolarHBondContact O-CB 3.15Å; E93-T142 WeakPolarHBondContact O-CG2 3.46Å; E93-T142 PolarHBondContact O-N 3.1Å; E93-T142 PolarHBondContact O-OG1 2.84Å; I95-T142 HydrophobicContact CD1-CG2 3.55Å; I95-T142 HydrophobicContact CG1-CG2 3.58Å; T142-K145 WeakPolarHBondContact O-CD 3.38Å; T142-K145 VanDerWaalsContact O-CE 3.28Å; T142-K145 WeakPolarHBondContact O-CE 3.43Å; T142-K145 PolarHBondContact O-NZ 2.8Å |
| 143 | V | 86.8 | Confident | 90.4 | Very high | 90 Ų | 90 | 41.9 Ų | 41.9 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -55 | -176.6 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | A59 N141 K145 | A59-V143 HydrophobicContact CB-CB 3.55Å; A59-V143 HydrophobicContact CB-CG1 3.41Å; A59-V143 VanDerWaalsContact CB-CG1 3.41Å; A59-V143 HydrophobicContact CB-CG2 4.34Å; N141-V143 PolarHBondContact O-N 2.96Å; N141-V143 WeakPolarHBondContact OD1-CA 3.36Å; N141-V143 WeakPolarHBondContact OD1-CB 3.27Å; N141-V143 PolarHBondContact OD1-N 3.11Å; V143-K145 VanDerWaalsContact C-N 3.27Å; V143-K145 PolarHBondContact O-N 2.85Å |
| 144 | T | 86.2 | Confident | 90.5 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 26% | 0.258 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -14.8 | -179.1 | 67.8 | 0 | 0 | 0 | 0 | 113.6 | A59 N141 Q146 | A59-T144 HydrophobicContact CB-CG2 3.54Å; A59-T144 WeakPolarHBondContact O-CG2 3.01Å; N141-T144 WeakPolarHBondContact CB-OG1 3.03Å; N141-T144 PolarHBondContact OD1-N 3.41Å; T144-Q146 PolarHBondContact O-N 3.21Å; T144-Q146 VanDerWaalsContact OG1-CB 3.32Å; T144-Q146 WeakPolarHBondContact OG1-CB 3.43Å; T144-Q146 WeakPolarHBondContact OG1-CG 3.4Å; T144-Q146 PolarHBondContact OG1-N 2.03Å; T144-Q146 PolarHBondContact OG1-OE1 2.83Å |
| 145 | K | 90.2 | Very high | 90.4 | Very high | 168 Ų | 168 | 39.5 Ų | 39.5 | 73% | 0.73 | 21% | 0.208 | S | C | * | . | trans | 59 | 9.5 | -170 | -50.2 | -57.2 | -175.3 | -169.3 | 0 | 113.9 | N141 T142 V143 | N141-K145 WeakPolarHBondContact O-CA 3.35Å; N141-K145 PolarHBondContact O-N 2.82Å; T142-K145 WeakPolarHBondContact O-CD 3.38Å; T142-K145 VanDerWaalsContact O-CE 3.28Å; T142-K145 WeakPolarHBondContact O-CE 3.43Å; T142-K145 PolarHBondContact O-NZ 2.8Å; V143-K145 VanDerWaalsContact C-N 3.27Å; V143-K145 PolarHBondContact O-N 2.85Å | ||
| 146 | Q | 90.3 | Very high | 90.2 | Very high | 95 Ų | 95 | 42.1 Ų | 42.1 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | trans | -69.9 | 148.6 | 174.6 | -69.1 | 172.6 | -38.9 | 0 | 0 | 110.5 | L61 N140 N141 T144 | L61-Q146 HydrophobicContact CB-CB 4.25Å; L61-Q146 HydrophobicContact CD2-CB 4.21Å; L61-Q146 WeakPolarHBondContact CD2-O 3.46Å; N140-Q146 WeakPolarHBondContact CA-O 3.44Å; N141-Q146 PolarHBondContact N-O 3.25Å; T144-Q146 PolarHBondContact O-N 3.21Å; T144-Q146 VanDerWaalsContact OG1-CB 3.32Å; T144-Q146 WeakPolarHBondContact OG1-CB 3.43Å; T144-Q146 WeakPolarHBondContact OG1-CG 3.4Å; T144-Q146 PolarHBondContact OG1-N 2.03Å; T144-Q146 PolarHBondContact OG1-OE1 2.83Å | ||
| 147 | K | 90.8 | Very high | 89.9 | Confident | 121 Ų | 121 | 43.9 Ų | 43.9 | 53% | 0.526 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.8 | 179 | 171.9 | 173.3 | -176 | -169.8 | 0 | 109.2 | V138 V139 N140 L149 | V138-K147 HydrophobicContact CG1-CD 4.16Å; V138-K147 HydrophobicContact CG1-CG 4.07Å; V139-K147 WeakPolarHBondContact O-CA 3.46Å; N140-K147 VanDerWaalsContact OD1-CB 3.25Å; N140-K147 WeakPolarHBondContact OD1-CB 3.37Å; N140-K147 WeakPolarHBondContact OD1-CG 3.27Å; K147-L149 HydrophobicContact CG-CD1 4.09Å |
| 148 | V | 91.8 | Very high | 89.1 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.5 | 177.6 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | L61 F64 V139 | L61-V148 HydrophobicContact CD2-CB 4.21Å; L61-V148 HydrophobicContact CD2-CG2 3.72Å; L61-V148 HydrophobicContact CG-CB 4.5Å; L61-V148 HydrophobicContact CG-CG2 3.82Å; F64-V148 HydrophobicContact CD2-CG1 3.62Å; F64-V148 HydrophobicContact CE2-CG1 3.79Å; V139-V148 PolarHBondContact N-O 3.37Å; V139-V148 PolarHBondContact O-N 3.3Å |
| 149 | L | 91.1 | Very high | 87.5 | Confident | 70 Ų | 70 | 54.2 Ų | 54.2 | 37% | 0.366 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 143.5 | -179.6 | -68.1 | 82.1 | 0 | 0 | 0 | 110.5 | F64 I99 T136 C137 V138 K147 | F64-L149 VanDerWaalsContact CD2-O 3.26Å; F64-L149 WeakPolarHBondContact CD2-O 3.39Å; F64-L149 WeakPolarHBondContact CE2-O 3.23Å; I99-L149 HydrophobicContact CD1-CD2 4.06Å; T136-L149 HydrophobicContact CG2-CB 3.96Å; T136-L149 HydrophobicContact CG2-CD2 4Å; T136-L149 HydrophobicContact CG2-CG 4.38Å; C137-L149 WeakPolarHBondContact O-CA 3.48Å; V138-L149 HydrophobicContact CG2-CD2 4.45Å; V138-L149 HydrophobicContact CG2-CG 4.3Å; K147-L149 HydrophobicContact CG-CD1 4.09Å |
| 150 | S | 89.9 | Confident | 85.7 | Confident | 7 Ų | 7 | 59 Ų | 59 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 168.3 | 170.4 | 75.9 | 0 | 0 | 0 | 0 | 111.2 | T136 C137 | T136-S150 VanDerWaalsContact CG2-O 3.27Å; T136-S150 WeakPolarHBondContact CG2-O 3.16Å; C137-S150 PolarHBondContact N-OG 3.04Å; C137-S150 PolarHBondContact O-N 2.78Å |
| 151 | S | 88.9 | Confident | 83.4 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 148.5 | 161.9 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | Q67 S68 T153 | Q67-S151 WeakPolarHBondContact CA-OG 3.49Å; Q67-S151 WeakPolarHBondContact CB-OG 3.46Å; Q67-S151 PolarHBondContact O-OG 3.27Å; S68-S151 WeakPolarHBondContact O-CB 3.48Å; S68-S151 PolarHBondContact O-OG 2.81Å; S151-T153 PolarHBondContact O-N 3.23Å |
| 152 | P | 89.6 | Confident | 81.1 | Confident | 53 Ų | 53 | 65.4 Ų | 65.4 | 34% | 0.344 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 136.7 | 175.7 | -21.3 | 31.9 | 0 | 0 | 0 | 111.6 | N134 | N134-P152 HydrophobicContact CB-CB 4.1Š|
| 153 | T | 90.9 | Very high | 78.6 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.043 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 107.7 | 175.6 | -50.2 | 0 | 0 | 0 | 0 | 108.5 | R70 V73 L83 Y135 S151 L155 | R70-T153 HydrophobicContact CB-CG2 4.15Å; R70-T153 WeakPolarHBondContact CD-OG1 3.22Å; V73-T153 HydrophobicContact CG2-CG2 3.84Å; L83-T153 HydrophobicContact CD2-CG2 4.3Å; Y135-T153 PolarHBondContact N-O 3.42Å; Y135-T153 PolarHBondContact O-N 2.84Å; S151-T153 PolarHBondContact O-N 3.23Å; T153-L155 PolarHBondContact O-N 2.89Å |
| 154 | P | 91.1 | Very high | 76.1 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 19% | 0.188 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 126.9 | 178.4 | -16.8 | 30.5 | 0 | 0 | 0 | 110.9 | R70 A72 V73 N134 V156 | R70-P154 WeakPolarHBondContact O-CD 3.1Å; A72-P154 CarbonylContact C-O 3.42Å; A72-P154 WeakPolarHBondContact CA-O 3.29Å; A72-P154 HydrophobicContact CB-CB 4.11Å; V73-P154 PolarHBondContact N-O 2.82Å; N134-P154 WeakPolarHBondContact OD1-CA 3.06Å; N134-P154 WeakPolarHBondContact OD1-CB 3.4Å; N134-P154 WeakPolarHBondContact OD1-CG 3.4Å; P154-V156 HydrophobicContact CB-CG2 4.32Å |
| 155 | L | 90.9 | Very high | 73.3 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.8 | 166.6 | -175.5 | 66.6 | 0 | 0 | 0 | 108.5 | V73 V75 V81 L83 I124 V127 D131 V132 G133 Y135 T153 | V73-L155 HydrophobicContact CB-CD1 4.05Å; V73-L155 HydrophobicContact CG1-CD1 3.98Å; V75-L155 HydrophobicContact CB-CD1 4.33Å; V75-L155 HydrophobicContact CG1-CD1 3.63Å; V75-L155 HydrophobicContact CG1-CG 4.12Å; V81-L155 HydrophobicContact CG1-CD1 4.12Å; V81-L155 HydrophobicContact CG1-CD2 4.34Å; V81-L155 HydrophobicContact CG2-CD1 4.17Å; L83-L155 HydrophobicContact CD2-CD1 4.44Å; I124-L155 HydrophobicContact CD1-CD2 4.12Å; V127-L155 HydrophobicContact CG1-CD2 4.41Å; D131-L155 HydrophobicContact CB-CD2 4.28Å; V132-L155 WeakPolarHBondContact CG1-O 3.11Å; G133-L155 PolarHBondContact N-O 2.85Å; G133-L155 PolarHBondContact O-N 2.84Å; Y135-L155 HydrophobicContact CD2-CB 3.95Å; Y135-L155 HydrophobicContact CE2-CB 3.78Å; Y135-L155 HydrophobicContact CE2-CD2 3.88Å; Y135-L155 HydrophobicContact CE2-CG 4.49Å; T153-L155 PolarHBondContact O-N 2.89Å |
| 156 | V | 87.8 | Confident | 71.3 | Confident | 56 Ų | 56 | 69 Ų | 69 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.3 | -174.3 | -176.5 | 0 | 0 | 0 | 0 | 110 | A72 V73 N74 V75 P154 | A72-V156 HydrophobicContact CB-CG2 4.08Å; V73-V156 PolarHBondContact O-N 2.93Å; N74-V156 WeakPolarHBondContact CA-O 3.42Å; V75-V156 PolarHBondContact N-O 2.8Å; P154-V156 HydrophobicContact CB-CG2 4.32Å |
| 157 | L | 84 | Confident | 68.5 | Low | 52 Ų | 52 | 70.4 Ų | 70.4 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 126.5 | 168.8 | -78.7 | 176.6 | 0 | 0 | 0 | 109.8 | V75 E77 V127 P129 V132 | V75-L157 HydrophobicContact CG1-CD2 4.24Å; V75-L157 WeakPolarHBondContact O-CA 3.09Å; E77-L157 HydrophobicContact CB-CD2 4.15Å; V127-L157 HydrophobicContact CG1-CD2 3.97Å; P129-L157 HydrophobicContact CB-CD1 4.24Å; P129-L157 HydrophobicContact CG-CD1 4.25Å; V132-L157 HydrophobicContact CG2-CB 4.02Å; V132-L157 HydrophobicContact CG2-CD1 3.62Å; V132-L157 HydrophobicContact CG2-CG 3.44Å; V132-L157 VanDerWaalsContact CG2-CG 3.44Å |
| 158 | R | 75.1 | Confident | 65.6 | Low | 130 Ų | 130 | 70.3 Ų | 70.3 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | trans | -106.7 | 129 | 168.1 | -74.2 | -153.8 | 178.6 | -143.7 | 2.7 | 110.9 | N74 V75 V161 | N74-R158 HydrophobicContact CB-CG 4.03Å; N74-R158 VanDerWaalsContact CG-NE 3.34Å; N74-R158 PolarHBondContact OD1-NE 2.83Å; V75-R158 PolarHBondContact O-N 3.39Å; R158-V161 HydrophobicContact CB-CG2 4.39Å | ||
| 159 | S | 57 | Low | 62.6 | Low | 90 Ų | 90 | 72.7 Ų | 72.7 | 63% | 0.629 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -75.4 | -26.8 | 168.9 | 40.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 160 | D | 55.5 | Low | 59.9 | Low | 102 Ų | 102 | 74.2 Ų | 74.2 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | trans | -136.3 | 105.3 | -166.9 | -41.8 | -64.8 | 0 | 0 | 0 | 110.5 | ||||
| 161 | V | 43.3 | Very low | 57.1 | Low | 85 Ų | 85 | 81.5 Ų | 81.5 | 52% | 0.515 | 47% | 0.466 | S | S | . | . | trans | -154.8 | 131.4 | 155.4 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | R76 R158 | R76-V161 PolarHBondContact NH2-O 2.89Å; R158-V161 HydrophobicContact CB-CG2 4.39Å | ||
| 162 | E | 42 | Very low | 54.7 | Low | 103 Ų | 103 | 87.8 Ų | 87.8 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | trans | -47.9 | 142.3 | 174 | -67.8 | 170.3 | 149.4 | 0 | 0 | 114.2 | T169 | E162-T169 HydrophobicContact CB-CG2 4.03Å; E162-T169 VanDerWaalsContact CD-CG2 3.43Å; E162-T169 HydrophobicContact CG-CG2 3.74Å; E162-T169 VanDerWaalsContact OE1-CG2 3.29Å; E162-T169 WeakPolarHBondContact OE1-CG2 3.44Å | ||
| 163 | I | 38.5 | Very low | 52.2 | Low | 94 Ų | 94 | 90.7 Ų | 90.7 | 48% | 0.482 | 52% | 0.515 | S | S | . | . | trans | -81.4 | 126.7 | 171.3 | -58.7 | 171.2 | 0 | 0 | 0 | 107.2 | ||||
| 164 | H | 32.5 | Very low | 49.9 | Very low | 134 Ų | 134 | 96.6 Ų | 96.6 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | trans | -114.4 | 102.2 | 162.7 | -79.8 | 31.1 | 0 | 0 | 0 | 109.1 | ||||
| 165 | C | 28.3 | Very low | 47.4 | Very low | 114 Ų | 114 | 104.2 Ų | 104.2 | 77% | 0.77 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -120.9 | 91.7 | 159.9 | -96.4 | 0 | 0 | 0 | 0 | 106.5 | ||
| 166 | G | 48.7 | Very low | 45.1 | Very low | 67 Ų | 67 | 113.9 Ų | 113.9 | 69% | 0.691 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 68.1 | -153.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L168 | G166-L168 PolarHBondContact O-N 2.84Š|
| 167 | S | 30.2 | Very low | 43.1 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 87% | 0.874 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -86.9 | 36.2 | -164.9 | 67.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 168 | L | 30.4 | Very low | 41.4 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 62% | 0.623 | 67% | 0.665 | S | S | * | * | trans | -137.8 | 115.3 | 178.1 | -146.3 | 85 | 0 | 0 | 0 | 112.5 | G166 I170 | G166-L168 PolarHBondContact O-N 2.84Å; L168-I170 HydrophobicContact CD2-CD1 4.07Å; L168-I170 HydrophobicContact CD2-CG1 4.28Å | ||
| 169 | T | 29.9 | Very low | 40.4 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 45% | 0.454 | 67% | 0.665 | S | S | . | * | trans | -96.9 | 124.2 | 174.4 | -47.3 | 0 | 0 | 0 | 0 | 109.4 | E162 | E162-T169 HydrophobicContact CB-CG2 4.03Å; E162-T169 VanDerWaalsContact CD-CG2 3.43Å; E162-T169 HydrophobicContact CG-CG2 3.74Å; E162-T169 VanDerWaalsContact OE1-CG2 3.29Å; E162-T169 WeakPolarHBondContact OE1-CG2 3.44Å | ||
| 170 | I | 33.4 | Very low | 40.7 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 52% | 0.523 | 66% | 0.656 | S | S | . | * | trans | -125.5 | 123.4 | 172.5 | -58.2 | 177.8 | 0 | 0 | 0 | 108.7 | L168 I172 | L168-I170 HydrophobicContact CD2-CD1 4.07Å; L168-I170 HydrophobicContact CD2-CG1 4.28Å; I170-I172 HydrophobicContact CG2-CD1 4.43Å; I170-I172 HydrophobicContact CG2-CG1 3.94Å | ||
| 171 | M | 30.8 | Very low | 41.4 | Very low | 160 Ų | 160 | 120.4 Ų | 120.4 | 79% | 0.788 | 65% | 0.646 | S | S | * | * | trans | -90.4 | 133.9 | 166.7 | -72.2 | -151.9 | -72.4 | 0 | 0 | 110.1 | ||||
| 172 | I | 39.9 | Very low | 42.8 | Very low | 146 Ų | 146 | 119.5 Ų | 119.5 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | trans | -125.8 | 134.9 | 175.5 | -56.6 | -179.7 | 0 | 0 | 0 | 109.9 | I170 | I170-I172 HydrophobicContact CG2-CD1 4.43Å; I170-I172 HydrophobicContact CG2-CG1 3.94Å | ||
| 173 | P | 36.2 | Very low | 44.7 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 74% | 0.74 | 65% | 0.647 | S | S | * | * | trans | -77.9 | 159 | -178.6 | -7.9 | 25.3 | 0 | 0 | 0 | 115.3 | F175 | P173-F175 PolarHBondContact O-N 2.58Š| ||
| 174 | L | 42.8 | Very low | 46.9 | Very low | 132 Ų | 132 | 119.2 Ų | 119.2 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -61 | 19 | -166.5 | -85.9 | 150.4 | 0 | 0 | 0 | 121 | ||
| 175 | F | 38.8 | Very low | 49.3 | Very low | 189 Ų | 189 | 115.2 Ų | 115.2 | 83% | 0.829 | 61% | 0.613 | S | S | * | * | trans | -116.3 | 14 | -171.2 | -83.3 | -78.7 | 0 | 0 | 0 | 118.8 | P173 | P173-F175 PolarHBondContact O-N 2.58Š| ||
| 176 | Y | 41.4 | Very low | 51.7 | Low | 204 Ų | 204 | 111.4 Ų | 111.4 | 80% | 0.8 | 59% | 0.585 | S | S | * | * | trans | -121.5 | 99.7 | 167.1 | -77.9 | -86 | 0 | 0 | 0 | 111.4 | L178 | Y176-L178 HydrophobicContact CD1-CD1 4.24Å; Y176-L178 PolarHBondContact O-N 2.86Å | ||
| 177 | R | 47.4 | Very low | 52.7 | Low | 252 Ų | 252 | 110.8 Ų | 110.8 | 95% | 0.951 | 57% | 0.565 | S | S | * | * | trans | -67.7 | 70.4 | 158.4 | -77.3 | -171.8 | -179.8 | -176.7 | 0.2 | 109.4 | ||||
| 178 | L | 48.1 | Very low | 53.9 | Low | 136 Ų | 136 | 107 Ų | 107 | 71% | 0.712 | 55% | 0.547 | S | S | * | . | trans | -100.3 | 100.7 | 163.1 | -74 | 167.4 | 0 | 0 | 0 | 106.5 | Y176 S180 | Y176-L178 HydrophobicContact CD1-CD1 4.24Å; Y176-L178 PolarHBondContact O-N 2.86Å; L178-S180 PolarHBondContact O-N 2.85Å | ||
| 179 | A | 54.2 | Low | 54.8 | Low | 60 Ų | 60 | 108.8 Ų | 108.8 | 50% | 0.496 | 56% | 0.557 | S | S | . | * | trans | -51.1 | 107.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | T181 | A179-T181 PolarHBondContact O-N 2.88Š| ||
| 180 | S | 62.9 | Low | 55.7 | Low | 64 Ų | 64 | 108.5 Ų | 108.5 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | trans | -58.7 | 109.5 | -173.6 | 50.8 | 0 | 0 | 0 | 0 | 108.8 | L178 N212 | L178-S180 PolarHBondContact O-N 2.85Å; S180-N212 PolarHBondContact O-ND2 3.05Å | ||
| 181 | T | 69.4 | Low | 56.5 | Low | 54 Ų | 54 | 106.6 Ų | 106.6 | 33% | 0.331 | 55% | 0.546 | S | S | . | . | trans | -76.9 | 132.4 | -179.7 | 57.9 | 0 | 0 | 0 | 0 | 110 | A179 N212 R261 | A179-T181 PolarHBondContact O-N 2.88Å; T181-N212 CarbonylContact C-O 3.59Å; T181-N212 VanDerWaalsContact CA-O 3.24Å; T181-N212 WeakPolarHBondContact CA-O 3.23Å; T181-N212 WeakPolarHBondContact CB-O 3.23Å; T181-R261 VanDerWaalsContact OG1-CZ 3.25Å; T181-R261 PolarHBondContact OG1-NE 2.87Å; T181-R261 PolarHBondContact OG1-NH2 2.77Å | ||
| 182 | M | 74.1 | Confident | 57.9 | Low | 67 Ų | 67 | 100.3 Ų | 100.3 | 33% | 0.33 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.4 | -170.4 | -173.6 | -176.9 | -171.6 | 0 | 0 | 109.5 | C185 N212 N259 | M182-C185 HydrophobicContact CE-CB 4.24Å; M182-N212 HydrophobicContact CB-CB 4.14Å; M182-N212 PolarHBondContact N-O 3.35Å; M182-N212 PolarHBondContact O-N 2.91Å; M182-N259 PolarHBondContact O-ND2 3.33Å |
| 183 | R | 80 | Confident | 58.9 | Low | 184 Ų | 184 | 99.9 Ų | 99.9 | 69% | 0.694 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 153 | 170.2 | -80.3 | -172.9 | 168.5 | -178.1 | 1.4 | 110.6 | C185 R261 | R183-C185 PolarHBondContact O-N 3.44Å; R183-R261 HydrophobicContact CG-CB 3.79Å; R183-R261 WeakPolarHBondContact CG-O 3.49Å; R183-R261 PolarHBondContact NE-O 2.8Å |
| 184 | P | 85.3 | Confident | 60.6 | Low | 6 Ų | 6 | 98.1 Ų | 98.1 | 4% | 0.039 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 127.6 | 178.6 | -23.2 | 35.6 | 0 | 0 | 0 | 111.6 | L210 P215 A257 N259 G262 N264 | P184-L210 CarbonylContact C-O 3.58Å; P184-L210 WeakPolarHBondContact CA-O 3.43Å; P184-P215 HydrophobicContact CB-CB 4.02Å; P184-P215 HydrophobicContact CB-CG 3.83Å; P184-P215 HydrophobicContact CG-CB 4.01Å; P184-P215 HydrophobicContact CG-CG 3.97Å; P184-A257 HydrophobicContact CB-CB 3.8Å; P184-N259 WeakPolarHBondContact CD-OD1 3.44Å; P184-N259 HydrophobicContact CG-CB 4.26Å; P184-G262 WeakPolarHBondContact CD-O 3.44Å; P184-G262 WeakPolarHBondContact CG-O 3.45Å; P184-N264 HydrophobicContact CB-CB 4.23Å; P184-N264 VanDerWaalsContact O-CB 3.25Å; P184-N264 WeakPolarHBondContact O-CB 3.39Å; P184-N264 PolarHBondContact O-ND2 3.49Å; P184-N264 VanDerWaalsContact O-ND2 3.11Å |
| 185 | C | 82.3 | Confident | 62.4 | Low | 51 Ų | 51 | 93.3 Ų | 93.3 | 35% | 0.345 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 112.7 | 175.5 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | M182 R183 A209 L210 | M182-C185 HydrophobicContact CE-CB 4.24Å; R183-C185 PolarHBondContact O-N 3.44Å; C185-A209 CarbonylContact O-C 3.54Å; C185-A209 VanDerWaalsContact O-CA 3.27Å; C185-A209 WeakPolarHBondContact O-CA 3.34Å; C185-L210 PolarHBondContact N-O 3.1Å; C185-L210 PolarHBondContact O-N 2.73Å |
| 186 | L | 79.7 | Confident | 64.6 | Low | 33 Ų | 33 | 87.9 Ų | 87.9 | 17% | 0.173 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 128.5 | 178.4 | -70.8 | 156.6 | 0 | 0 | 0 | 109.2 | C207 F208 A209 A257 N264 A266 | L186-C207 WeakPolarHBondContact CD2-SG 3.32Å; L186-F208 CarbonylContact C-O 3.53Å; L186-F208 VanDerWaalsContact CA-O 3.27Å; L186-F208 WeakPolarHBondContact CA-O 3.49Å; L186-F208 WeakPolarHBondContact CD2-O 3.3Å; L186-A209 HydrophobicContact CD2-CB 4.05Å; L186-A257 HydrophobicContact CD2-CB 4Å; L186-A257 HydrophobicContact CG-CB 4.42Å; L186-N264 HydrophobicContact CD1-CB 4.17Å; L186-A266 HydrophobicContact CD1-CB 3.79Å |
| 187 | I | 68.9 | Low | 66.8 | Low | 54 Ų | 54 | 78.4 Ų | 78.4 | 28% | 0.277 | 43% | 0.427 | S | S | . | . | trans | -116.5 | 142.6 | -175.2 | -62 | -150 | 0 | 0 | 0 | 111.5 | V82 Y123 F208 L210 | V82-I187 HydrophobicContact CG2-CD1 4.45Å; V82-I187 HydrophobicContact CG2-CG2 4.11Å; Y123-I187 HydrophobicContact CE1-CG2 4.06Å; I187-F208 PolarHBondContact N-O 2.7Å; I187-L210 HydrophobicContact CD1-CB 4.42Å; I187-L210 HydrophobicContact CD1-CD1 3.18Å; I187-L210 HydrophobicContact CD1-CD2 4.5Å; I187-L210 HydrophobicContact CD1-CG 3.46Å; I187-L210 VanDerWaalsContact CD1-CG 3.46Å; I187-L210 HydrophobicContact CG1-CD1 4.17Å; I187-L210 HydrophobicContact CG1-CG 3.9Å | ||
| 188 | G | 57 | Low | 68.7 | Low | 47 Ų | 47 | 68.6 Ų | 68.6 | 49% | 0.485 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 101.4 | 124 | -167.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | M190 | G188-M190 PolarHBondContact O-N 3.34Š|
| 189 | N | 47.5 | Very low | 70.6 | Confident | 156 Ų | 156 | 65.2 Ų | 65.2 | 83% | 0.834 | 38% | 0.38 | S | S | * | . | trans | -53.3 | 115.5 | 162.1 | -167.5 | 8.1 | 0 | 0 | 0 | 105.2 | S191 | N189-S191 VanDerWaalsContact C-N 3.33Å; N189-S191 PolarHBondContact O-N 3.04Å | ||
| 190 | M | 50.7 | Low | 72.3 | Confident | 67 Ų | 67 | 68.1 Ų | 68.1 | 33% | 0.33 | 38% | 0.383 | S | S | . | . | trans | -53.2 | 101.1 | -179.8 | -80.4 | 132 | 57.9 | 0 | 0 | 107.9 | G188 W192 A266 R267 | G188-M190 PolarHBondContact O-N 3.34Å; M190-W192 PolarHBondContact O-N 3.06Å; M190-A266 HydrophobicContact CE-CB 3.6Å; M190-A266 HydrophobicContact CG-CB 3.67Å; M190-A266 HydrophobicContact SD-CB 3.22Å; M190-A266 WeakPolarHBondContact SD-CB 3.23Å; M190-R267 WeakPolarHBondContact CE-O 3.49Å | ||
| 191 | S | 48.9 | Very low | 73.6 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 43% | 0.434 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 3.8 | 175.8 | 46.2 | 0 | 0 | 0 | 0 | 112.4 | N189 | N189-S191 VanDerWaalsContact C-N 3.33Å; N189-S191 PolarHBondContact O-N 3.04Å |
| 192 | W | 60.2 | Low | 74.5 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 11% | 0.106 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 9.3 | -173.4 | -41.2 | 104.2 | 0 | 0 | 0 | 116.2 | M190 S194 V195 K204 L205 E206 G268 R269 | M190-W192 PolarHBondContact O-N 3.06Å; W192-S194 PolarHBondContact O-N 2.97Å; W192-V195 HydrophobicContact CD2-CG2 4.3Å; W192-V195 HydrophobicContact CE3-CB 4.35Å; W192-V195 HydrophobicContact CE3-CG2 3.28Å; W192-V195 HydrophobicContact CZ3-CG2 3.63Å; W192-K204 WeakPolarHBondContact CH2-O 3.3Å; W192-L205 HydrophobicContact CD2-CD2 4.28Å; W192-L205 HydrophobicContact CE3-CB 4.4Å; W192-L205 HydrophobicContact CE3-CD2 3.36Å; W192-L205 HydrophobicContact CE3-CG 4.38Å; W192-L205 HydrophobicContact CH2-CB 3.99Å; W192-L205 HydrophobicContact CH2-CD2 3.85Å; W192-L205 HydrophobicContact CZ2-CB 4.08Å; W192-L205 HydrophobicContact CZ3-CB 4.09Å; W192-L205 HydrophobicContact CZ3-CD2 3.1Å; W192-L205 HydrophobicContact CZ3-CG 4.15Å; W192-E206 PolarHBondContact NE1-O 2.95Å; W192-G268 CarbonylContact O-C 3.53Å; W192-G268 VanDerWaalsContact O-CA 3.23Å; W192-G268 WeakPolarHBondContact O-CA 3.23Å; W192-R269 PolarHBondContact O-N 2.89Å |
| 193 | N | 61.9 | Low | 75.2 | Confident | 137 Ų | 137 | 65.3 Ų | 65.3 | 73% | 0.733 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -49.1 | -38.4 | 175.7 | -79.3 | -16.6 | 0 | 0 | 0 | 111.2 | ||
| 194 | S | 70.3 | Confident | 75.6 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | trans | -159.5 | 123.8 | 157.5 | 65 | 0 | 0 | 0 | 0 | 111.5 | W192 R269 | W192-S194 PolarHBondContact O-N 2.97Å; S194-R269 CarbonylContact C-O 3.57Å; S194-R269 WeakPolarHBondContact CA-O 3.43Å | ||
| 195 | V | 81.4 | Confident | 75.7 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 112.4 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | W192 A197 R269 I270 S271 | W192-V195 HydrophobicContact CD2-CG2 4.3Å; W192-V195 HydrophobicContact CE3-CB 4.35Å; W192-V195 HydrophobicContact CE3-CG2 3.28Å; W192-V195 HydrophobicContact CZ3-CG2 3.63Å; V195-A197 PolarHBondContact O-N 2.65Å; V195-R269 PolarHBondContact N-O 2.82Å; V195-I270 CarbonylContact O-C 3.52Å; V195-I270 WeakPolarHBondContact O-CA 3.06Å; V195-S271 PolarHBondContact O-N 3.36Å; V195-S271 PolarHBondContact O-OG 3.46Å |
| 196 | P | 85.6 | Confident | 75.9 | Confident | 76 Ų | 76 | 58.3 Ų | 58.3 | 49% | 0.494 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 120.1 | 170.9 | 30.3 | -31.6 | 0 | 0 | 0 | 109.6 | S271 H273 | P196-S271 WeakPolarHBondContact CA-OG 3.47Å; P196-H273 VanDerWaalsContact CA-CD2 3.46Å; P196-H273 WeakPolarHBondContact CA-CD2 3.16Å; P196-H273 VanDerWaalsContact CB-CD2 3.42Å; P196-H273 WeakPolarHBondContact CB-CD2 3.44Å; P196-H273 VanDerWaalsContact CB-NE2 3.3Å; P196-H273 WeakPolarHBondContact CB-NE2 3.35Å |
| 197 | A | 88 | Confident | 76.2 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V195 V203 F245 I270 S271 H273 | V195-A197 PolarHBondContact O-N 2.65Å; A197-V203 HydrophobicContact CB-CG2 3.4Å; A197-V203 VanDerWaalsContact CB-CG2 3.4Å; A197-F245 HydrophobicContact CB-CD1 3.47Å; A197-F245 VanDerWaalsContact CB-CD1 3.47Å; A197-F245 HydrophobicContact CB-CD2 4.21Å; A197-F245 HydrophobicContact CB-CE1 3.36Å; A197-F245 HydrophobicContact CB-CE2 4.11Å; A197-F245 HydrophobicContact CB-CG 3.91Å; A197-F245 HydrophobicContact CB-CZ 3.71Å; A197-I270 HydrophobicContact CB-CG2 3.61Å; A197-S271 PolarHBondContact N-O 2.93Å; A197-H273 PolarHBondContact O-N 2.92Å |
| 198 | A | 86.3 | Confident | 76.7 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 143.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E200 S201 H273 | A198-E200 PolarHBondContact O-N 3.02Å; A198-S201 VanDerWaalsContact O-CB 3.3Å; A198-S201 WeakPolarHBondContact O-CB 3.36Å; A198-S201 PolarHBondContact O-N 2.64Å; A198-S201 PolarHBondContact O-OG 3.42Å; A198-H273 CarbonylContact C-O 3.52Å; A198-H273 WeakPolarHBondContact CA-O 3.48Å |
| 199 | K | 88.9 | Confident | 77.9 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 138.8 | 169.7 | -167.6 | -165.7 | 179.8 | -145.7 | 0 | 110.6 | S201 F245 Y272 H273 | K199-S201 PolarHBondContact O-N 3.01Å; K199-S201 VanDerWaalsContact O-N 3.16Å; K199-F245 WeakPolarHBondContact CA-O 3.22Å; K199-Y272 HydrophobicContact CB-CE2 3.8Å; K199-Y272 HydrophobicContact CG-CE2 3.99Å; K199-H273 PolarHBondContact N-O 3.14Å |
| 200 | E | 89.8 | Confident | 79.6 | Confident | 120 Ų | 120 | 47.4 Ų | 47.4 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 4.5 | 178.6 | -66.2 | 150.6 | -148.7 | 0 | 0 | 115.3 | A198 N244 F245 | A198-E200 PolarHBondContact O-N 3.02Å; E200-N244 WeakPolarHBondContact CA-OD1 3.31Å; E200-N244 WeakPolarHBondContact CG-OD1 3.31Å; E200-F245 PolarHBondContact N-O 2.77Å |
| 201 | S | 88.5 | Confident | 80.9 | Confident | 37 Ų | 37 | 44.2 Ų | 44.2 | 26% | 0.259 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 168.4 | 172.7 | 69.9 | 0 | 0 | 0 | 0 | 112.7 | A198 K199 N244 F245 | A198-S201 VanDerWaalsContact O-CB 3.3Å; A198-S201 WeakPolarHBondContact O-CB 3.36Å; A198-S201 PolarHBondContact O-N 2.64Å; A198-S201 PolarHBondContact O-OG 3.42Å; K199-S201 PolarHBondContact O-N 3.01Å; K199-S201 VanDerWaalsContact O-N 3.16Å; S201-N244 PolarHBondContact O-N 3.02Å; S201-F245 WeakPolarHBondContact O-CB 3.31Å; S201-F245 PolarHBondContact O-N 3.24Å |
| 202 | V | 89.9 | Confident | 82.3 | Confident | 82 Ų | 82 | 41.6 Ų | 41.6 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -97.2 | 122.6 | 168.5 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | K204 E241 I242 | V202-K204 HydrophobicContact CG1-CG 4.4Å; V202-E241 HydrophobicContact CG1-CG 3.8Å; V202-I242 WeakPolarHBondContact CA-O 2.97Å |
| 203 | V | 88.9 | Confident | 83.5 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.2 | 174.8 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | A197 L205 E241 I242 F245 I270 | A197-V203 HydrophobicContact CB-CG2 3.4Å; A197-V203 VanDerWaalsContact CB-CG2 3.4Å; V203-L205 HydrophobicContact CG1-CD2 3.81Å; V203-E241 CarbonylContact O-C 3.56Å; V203-E241 WeakPolarHBondContact O-CA 3.32Å; V203-I242 HydrophobicContact CB-CB 4.25Å; V203-I242 PolarHBondContact N-O 3.4Å; V203-I242 PolarHBondContact O-N 2.72Å; V203-F245 HydrophobicContact CB-CD2 4.44Å; V203-F245 HydrophobicContact CG2-CB 3.91Å; V203-F245 HydrophobicContact CG2-CD2 3.61Å; V203-F245 HydrophobicContact CG2-CE2 4.27Å; V203-F245 HydrophobicContact CG2-CG 3.75Å; V203-I270 HydrophobicContact CG1-CD1 4.02Å |
| 204 | K | 87.9 | Confident | 84.7 | Confident | 79 Ų | 79 | 37.5 Ų | 37.5 | 34% | 0.343 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.5 | 175.3 | -65.9 | 177.8 | 178.7 | 177.9 | 0 | 109 | W192 V202 L240 E241 | W192-K204 WeakPolarHBondContact CH2-O 3.3Å; V202-K204 HydrophobicContact CG1-CG 4.4Å; K204-L240 CarbonylContact C-O 3.59Å; K204-L240 WeakPolarHBondContact CA-O 3.43Å; K204-E241 HydrophobicContact CG-CG 4.18Å |
| 205 | L | 87.2 | Confident | 85.5 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.8 | 171.1 | -38.4 | 179.9 | 0 | 0 | 0 | 109.8 | W192 V203 W219 V239 L240 Y253 I270 | W192-L205 HydrophobicContact CD2-CD2 4.28Å; W192-L205 HydrophobicContact CE3-CB 4.4Å; W192-L205 HydrophobicContact CE3-CD2 3.36Å; W192-L205 HydrophobicContact CE3-CG 4.38Å; W192-L205 HydrophobicContact CH2-CB 3.99Å; W192-L205 HydrophobicContact CH2-CD2 3.85Å; W192-L205 HydrophobicContact CZ2-CB 4.08Å; W192-L205 HydrophobicContact CZ3-CB 4.09Å; W192-L205 HydrophobicContact CZ3-CD2 3.1Å; W192-L205 HydrophobicContact CZ3-CG 4.15Å; V203-L205 HydrophobicContact CG1-CD2 3.81Å; L205-W219 HydrophobicContact CB-CH2 3.62Å; L205-W219 HydrophobicContact CB-CZ2 4.3Å; L205-W219 HydrophobicContact CB-CZ3 4.05Å; L205-W219 HydrophobicContact CD1-CH2 4.37Å; L205-W219 HydrophobicContact CD1-CZ3 3.93Å; L205-V239 CarbonylContact O-C 3.59Å; L205-V239 WeakPolarHBondContact O-CA 3.19Å; L205-L240 HydrophobicContact CB-CB 4.26Å; L205-L240 HydrophobicContact CD1-CD2 4.04Å; L205-L240 HydrophobicContact CG-CD2 4.19Å; L205-L240 PolarHBondContact N-O 3.04Å; L205-L240 PolarHBondContact O-N 2.74Å; L205-Y253 HydrophobicContact CD1-CD1 3.85Å; L205-Y253 HydrophobicContact CD1-CD2 4.4Å; L205-Y253 HydrophobicContact CD1-CG 3.74Å; L205-I270 HydrophobicContact CD1-CD1 4.15Å; L205-I270 HydrophobicContact CD2-CD1 3.9Å; L205-I270 HydrophobicContact CD2-CG1 4.17Å; L205-I270 HydrophobicContact CG-CD1 4.47Å |
| 206 | E | 86 | Confident | 86 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.5 | 176.1 | -51.1 | -162.5 | 137.3 | 0 | 0 | 110.3 | S116 Q117 W192 F208 V239 | S116-E206 WeakPolarHBondContact CB-OE2 3.38Å; S116-E206 PolarHBondContact OG-OE2 2.98Å; Q117-E206 WeakPolarHBondContact CA-OE1 3.2Å; Q117-E206 WeakPolarHBondContact CB-OE1 3.38Å; Q117-E206 VanDerWaalsContact CG-OE1 3.31Å; Q117-E206 WeakPolarHBondContact CG-OE1 3.4Å; Q117-E206 PolarHBondContact N-OE1 2.92Å; Q117-E206 PolarHBondContact N-OE2 2.67Å; W192-E206 PolarHBondContact NE1-O 2.95Å; E206-F208 HydrophobicContact CB-CE2 3.51Å; E206-F208 HydrophobicContact CB-CZ 3.58Å; E206-F208 HydrophobicContact CG-CZ 4.36Å; E206-F208 VanDerWaalsContact OE2-CZ 3.31Å; E206-F208 WeakPolarHBondContact OE2-CZ 3.47Å; E206-V239 HydrophobicContact CG-CG2 4.49Å |
| 207 | C | 85.8 | Confident | 86.3 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 5% | 0.054 | 20% | 0.199 | C | C | . | . | trans | -137.4 | 129.9 | 175.3 | -176.2 | 0 | 0 | 0 | 0 | 111.4 | L186 I217 W219 A238 C255 | L186-C207 WeakPolarHBondContact CD2-SG 3.32Å; C207-I217 HydrophobicContact CB-CG2 4.48Å; C207-W219 HydrophobicContact CB-CH2 3.69Å; C207-W219 HydrophobicContact CB-CZ2 3.31Å; C207-A238 PolarHBondContact N-O 2.78Å; C207-A238 WeakPolarHBondContact O-CB 3.42Å; C207-C255 HydrophobicContact CB-CB 3.6Å; C207-C255 WeakPolarHBondContact CB-SG 3.08Å; C207-C255 WeakPolarHBondContact SG-CB 3.29Å; C207-C255 CovalentContact SG-SG 2Å; C207-C255 PolarHBondContact SG-SG 3.18Å | ||
| 208 | F | 80.5 | Confident | 86.5 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 11% | 0.114 | 21% | 0.213 | C | C | . | . | trans | -130.8 | 133.9 | -173.9 | -44.2 | -99.3 | 0 | 0 | 0 | 109.9 | F114 Y123 L186 I187 E206 | F114-F208 AromaticContact CD1-CD1 3.49Å; F114-F208 HydrophobicContact CD1-CD1 3.49Å; F114-F208 VanDerWaalsContact CD1-CD1 3.49Å; F114-F208 AromaticContact CD1-CE1 3.17Å; F114-F208 HydrophobicContact CD1-CE1 3.17Å; F114-F208 HydrophobicContact CD1-CZ 4.31Å; F114-F208 AromaticContact CE1-CD1 3.75Å; F114-F208 HydrophobicContact CE1-CD1 3.75Å; F114-F208 AromaticContact CE1-CE1 3.04Å; F114-F208 HydrophobicContact CE1-CE1 3.04Å; F114-F208 AromaticContact CE1-CZ 3.79Å; F114-F208 HydrophobicContact CE1-CZ 3.79Å; F114-F208 HydrophobicContact CG-CD1 4.33Å; F114-F208 HydrophobicContact CG-CE1 4.35Å; F114-F208 HydrophobicContact CZ-CE1 4.11Å; Y123-F208 HydrophobicContact CD1-CB 4.21Å; Y123-F208 HydrophobicContact CD1-CD1 4.15Å; Y123-F208 HydrophobicContact CD1-CG 4.37Å; Y123-F208 AromaticContact CD2-CD1 3.66Å; Y123-F208 HydrophobicContact CD2-CD1 3.66Å; Y123-F208 AromaticContact CD2-CE1 3.7Å; Y123-F208 HydrophobicContact CD2-CE1 3.7Å; Y123-F208 HydrophobicContact CE1-CB 4.31Å; Y123-F208 HydrophobicContact CE1-CD1 4.2Å; Y123-F208 HydrophobicContact CE1-CG 4.22Å; Y123-F208 AromaticContact CE2-CD1 3.74Å; Y123-F208 HydrophobicContact CE2-CD1 3.74Å; Y123-F208 AromaticContact CE2-CE1 3.47Å; Y123-F208 HydrophobicContact CE2-CE1 3.47Å; Y123-F208 VanDerWaalsContact CE2-CE1 3.47Å; Y123-F208 HydrophobicContact CE2-CG 4.44Å; Y123-F208 HydrophobicContact CE2-CZ 4.13Å; Y123-F208 AromaticContact CG-CD1 3.9Å; Y123-F208 HydrophobicContact CG-CD1 3.9Å; Y123-F208 HydrophobicContact CG-CE1 4.4Å; Y123-F208 AromaticContact CZ-CE1 3.98Å; L186-F208 CarbonylContact C-O 3.53Å; L186-F208 VanDerWaalsContact CA-O 3.27Å; L186-F208 WeakPolarHBondContact CA-O 3.49Å; L186-F208 WeakPolarHBondContact CD2-O 3.3Å; I187-F208 PolarHBondContact N-O 2.7Å; E206-F208 HydrophobicContact CB-CE2 3.51Å; E206-F208 HydrophobicContact CB-CZ 3.58Å; E206-F208 HydrophobicContact CG-CZ 4.36Å; E206-F208 VanDerWaalsContact OE2-CZ 3.31Å; E206-F208 WeakPolarHBondContact OE2-CZ 3.47Å | ||
| 209 | A | 82.6 | Confident | 86.8 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 12% | 0.116 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 135.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C185 L186 P215 I217 A257 | C185-A209 CarbonylContact O-C 3.54Å; C185-A209 VanDerWaalsContact O-CA 3.27Å; C185-A209 WeakPolarHBondContact O-CA 3.34Å; L186-A209 HydrophobicContact CD2-CB 4.05Å; A209-P215 HydrophobicContact CB-CB 4.24Å; A209-P215 HydrophobicContact CB-CG 4.13Å; A209-I217 HydrophobicContact CB-CD1 3.95Å; A209-A257 HydrophobicContact CB-CB 3.34Å |
| 210 | L | 82.6 | Confident | 87 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.068 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 148.7 | 163.7 | -57.7 | -169.5 | 0 | 0 | 0 | 109.6 | P184 C185 I187 | P184-L210 CarbonylContact C-O 3.58Å; P184-L210 WeakPolarHBondContact CA-O 3.43Å; C185-L210 PolarHBondContact N-O 3.1Å; C185-L210 PolarHBondContact O-N 2.73Å; I187-L210 HydrophobicContact CD1-CB 4.42Å; I187-L210 HydrophobicContact CD1-CD1 3.18Å; I187-L210 HydrophobicContact CD1-CD2 4.5Å; I187-L210 HydrophobicContact CD1-CG 3.46Å; I187-L210 VanDerWaalsContact CD1-CG 3.46Å; I187-L210 HydrophobicContact CG1-CD1 4.17Å; I187-L210 HydrophobicContact CG1-CG 3.9Å |
| 211 | G | 78.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | 159.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A125 P213 | A125-G211 PolarHBondContact O-N 2.78Å; G211-P213 CarbonylContact C-O 3.59Å; G211-P213 CarbonylContact O-C 3.52Å |
| 212 | N | 77.9 | Confident | 87.2 | Confident | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 110.3 | 178.6 | -175.7 | 13.1 | 0 | 0 | 0 | 110.7 | G78 S180 T181 M182 | G78-N212 VanDerWaalsContact O-CB 3.31Å; G78-N212 WeakPolarHBondContact O-CB 3.36Å; G78-N212 PolarHBondContact O-ND2 2.61Å; S180-N212 PolarHBondContact O-ND2 3.05Å; T181-N212 CarbonylContact C-O 3.59Å; T181-N212 VanDerWaalsContact CA-O 3.24Å; T181-N212 WeakPolarHBondContact CA-O 3.23Å; T181-N212 WeakPolarHBondContact CB-O 3.23Å; M182-N212 HydrophobicContact CB-CB 4.14Å; M182-N212 PolarHBondContact N-O 3.35Å; M182-N212 PolarHBondContact O-N 2.91Å |
| 213 | P | 85.4 | Confident | 87.1 | Confident | 39 Ų | 39 | 37.1 Ų | 37.1 | 25% | 0.253 | 20% | 0.195 | S | C | . | . | S | Bend | cis | -62.9 | 161.9 | 2.3 | -21.9 | 34.7 | 0 | 0 | 0 | 114.1 | G211 P215 N259 R260 | G211-P213 CarbonylContact C-O 3.59Å; G211-P213 CarbonylContact O-C 3.52Å; P213-P215 WeakPolarHBondContact O-CD 3.45Å; P213-N259 WeakPolarHBondContact O-CB 3.47Å; P213-N259 PolarHBondContact O-ND2 2.82Å; P213-R260 HydrophobicContact CG-CG 3.86Å |
| 214 | V | 86.8 | Confident | 87.1 | Confident | 40 Ų | 40 | 40 Ų | 40 | 24% | 0.242 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -51.2 | 123.1 | 178 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | S111 R112 A125 K126 | S111-V214 WeakPolarHBondContact O-CG1 3.31Å; R112-V214 HydrophobicContact CB-CG2 4.17Å; R112-V214 HydrophobicContact CG-CG2 3.91Å; A125-V214 HydrophobicContact CB-CG1 4Å; A125-V214 HydrophobicContact CB-CG2 4.24Å; K126-V214 HydrophobicContact CB-CG2 3.71Å; K126-V214 HydrophobicContact CD-CG2 4.37Å |
| 215 | P | 87.6 | Confident | 87.1 | Confident | 11 Ų | 11 | 39.6 Ų | 39.6 | 7% | 0.071 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 142.4 | -179.9 | -18.9 | 32.3 | 0 | 0 | 0 | 112.7 | P184 A209 P213 A257 E258 | P184-P215 HydrophobicContact CB-CB 4.02Å; P184-P215 HydrophobicContact CB-CG 3.83Å; P184-P215 HydrophobicContact CG-CB 4.01Å; P184-P215 HydrophobicContact CG-CG 3.97Å; A209-P215 HydrophobicContact CB-CB 4.24Å; A209-P215 HydrophobicContact CB-CG 4.13Å; P213-P215 WeakPolarHBondContact O-CD 3.45Å; P215-A257 HydrophobicContact CB-CB 4.11Å; P215-E258 CarbonylContact C-O 3.57Å; P215-E258 VanDerWaalsContact CA-O 3.25Å; P215-E258 WeakPolarHBondContact CA-O 3.12Å |
| 216 | E | 91.8 | Very high | 87.2 | Confident | 145 Ų | 145 | 44.5 Ų | 44.5 | 68% | 0.678 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 136.9 | 166.3 | -172.1 | 176.3 | 178.5 | 0 | 0 | 109.7 | A257 E258 | E216-A257 WeakPolarHBondContact O-CA 3.42Å; E216-E258 PolarHBondContact N-O 3.13Å; E216-E258 PolarHBondContact O-N 3.14Å |
| 217 | I | 90.8 | Very high | 87.4 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.6 | 178.2 | -57.2 | -58.8 | 0 | 0 | 0 | 109.9 | C207 A209 N237 I256 A257 | C207-I217 HydrophobicContact CB-CG2 4.48Å; A209-I217 HydrophobicContact CB-CD1 3.95Å; I217-N237 HydrophobicContact CB-CB 4.38Å; I217-N237 HydrophobicContact CG2-CB 4.45Å; I217-N237 WeakPolarHBondContact CG2-O 3.5Å; I217-N237 VanDerWaalsContact O-CB 3.26Å; I217-N237 WeakPolarHBondContact O-CB 3.47Å; I217-N237 PolarHBondContact O-ND2 2.8Å; I217-I256 WeakPolarHBondContact CA-O 3.12Å; I217-A257 HydrophobicContact CD1-CB 3.64Å |
| 218 | S | 92.7 | Very high | 87.3 | Confident | 46 Ų | 46 | 47.9 Ų | 47.9 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 153.6 | 170.8 | 60 | 0 | 0 | 0 | 0 | 110.8 | I256 | S218-I256 PolarHBondContact N-O 2.81Å; S218-I256 PolarHBondContact O-N 2.95Å |
| 219 | W | 92.8 | Very high | 87.7 | Confident | 24 Ų | 24 | 53 Ų | 53 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147.4 | 177.8 | -67.7 | 87.8 | 0 | 0 | 0 | 110.7 | L205 C207 F227 M233 N237 L240 E254 C255 | L205-W219 HydrophobicContact CB-CH2 3.62Å; L205-W219 HydrophobicContact CB-CZ2 4.3Å; L205-W219 HydrophobicContact CB-CZ3 4.05Å; L205-W219 HydrophobicContact CD1-CH2 4.37Å; L205-W219 HydrophobicContact CD1-CZ3 3.93Å; C207-W219 HydrophobicContact CB-CH2 3.69Å; C207-W219 HydrophobicContact CB-CZ2 3.31Å; W219-F227 HydrophobicContact CB-CE2 3.85Å; W219-F227 HydrophobicContact CB-CZ 3.77Å; W219-F227 WeakPolarHBondContact O-CE2 3.36Å; W219-M233 HydrophobicContact CB-CE 4.2Å; W219-N237 VanDerWaalsContact CD1-O 3.29Å; W219-N237 PolarHBondContact NE1-O 2.87Å; W219-L240 HydrophobicContact CB-CD1 3.75Å; W219-L240 HydrophobicContact CD2-CB 4.01Å; W219-L240 HydrophobicContact CD2-CD1 3.73Å; W219-L240 HydrophobicContact CE3-CB 4.47Å; W219-L240 HydrophobicContact CE3-CD1 3.93Å; W219-L240 HydrophobicContact CG-CB 4.33Å; W219-L240 HydrophobicContact CG-CD1 3.67Å; W219-L240 HydrophobicContact CZ2-CB 4.13Å; W219-E254 WeakPolarHBondContact CA-O 3.43Å; W219-C255 HydrophobicContact CD2-CB 4.11Å; W219-C255 HydrophobicContact CE3-CB 3.83Å; W219-C255 HydrophobicContact CH2-CB 3.84Å; W219-C255 HydrophobicContact CZ2-CB 4.1Å; W219-C255 HydrophobicContact CZ3-CB 3.69Å |
| 220 | R | 92.6 | Very high | 88.2 | Confident | 125 Ų | 125 | 54.6 Ų | 54.6 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 161.7 | 167.5 | 66.4 | 179.7 | -174.5 | -160.8 | -7.9 | 111.8 | E254 I256 | R220-E254 HydrophobicContact CG-CB 4.21Å; R220-E254 IonicContact CZ-OE2 2.65Å; R220-E254 PolarHBondContact N-O 2.95Å; R220-E254 IonicContact NE-OE2 3.32Å; R220-E254 PolarHBondContact NE-OE2 2.84Å; R220-E254 IonicContact NH2-OE1 3.17Å; R220-E254 IonicContact NH2-OE2 2.83Å; R220-E254 PolarHBondContact NH2-OE2 2.78Å; R220-E254 PolarHBondContact O-N 2.93Å; R220-I256 HydrophobicContact CG-CD1 4.1Å |
| 221 | R | 92.4 | Very high | 88.7 | Confident | 30 Ų | 30 | 55 Ų | 55 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | trans | -89.4 | 122.4 | 161.8 | -58.8 | -178.6 | 76.6 | 175 | 6.8 | 107.6 | S223 G224 V225 F227 E248 A250 Y253 | R221-S223 PolarHBondContact O-N 3.07Å; R221-G224 PolarHBondContact O-N 2.91Å; R221-V225 WeakPolarHBondContact CB-O 3.33Å; R221-V225 WeakPolarHBondContact CD-O 3.47Å; R221-F227 HydrophobicContact CG-CD1 3.93Å; R221-F227 HydrophobicContact CG-CE1 3.49Å; R221-F227 VanDerWaalsContact CG-CE1 3.49Å; R221-F227 HydrophobicContact CG-CZ 4.29Å; R221-E248 PolarHBondContact NH2-O 3.11Å; R221-A250 PolarHBondContact NH2-O 2.89Å; R221-Y253 HydrophobicContact CG-CE1 4.41Å | ||
| 222 | P | 90 | Very high | 89.5 | Confident | 52 Ų | 52 | 60.5 Ų | 60.5 | 34% | 0.338 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -22.4 | 177.2 | -29.7 | 37.6 | 0 | 0 | 0 | 114.5 | G224 M252 E254 | P222-G224 PolarHBondContact O-N 3.29Å; P222-M252 WeakPolarHBondContact CD-O 3.47Å; P222-M252 HydrophobicContact CG-CB 4.14Å; P222-E254 HydrophobicContact CG-CB 3.77Å |
| 223 | S | 88.7 | Confident | 90.1 | Very high | 85 Ų | 85 | 63.9 Ų | 63.9 | 59% | 0.594 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -8.5 | 174.2 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | R221 V225 | R221-S223 PolarHBondContact O-N 3.07Å; S223-V225 PolarHBondContact O-N 2.84Å; S223-V225 WeakPolarHBondContact OG-CG2 3.46Å |
| 224 | G | 88.6 | Confident | 90.1 | Very high | 68 Ų | 68 | 65.9 Ų | 65.9 | 70% | 0.701 | 37% | 0.371 | S | S | * | . | trans | 78.2 | -2.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R221 P222 | R221-G224 PolarHBondContact O-N 2.91Å; P222-G224 PolarHBondContact O-N 3.29Å | ||
| 225 | V | 87.6 | Confident | 89.9 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 42% | 0.424 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 128.8 | 176.8 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | R221 S223 | R221-V225 WeakPolarHBondContact CB-O 3.33Å; R221-V225 WeakPolarHBondContact CD-O 3.47Å; S223-V225 PolarHBondContact O-N 2.84Å; S223-V225 WeakPolarHBondContact OG-CG2 3.46Å |
| 226 | P | 89.3 | Confident | 89.9 | Confident | 106 Ų | 106 | 69 Ų | 69 | 69% | 0.688 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 156.7 | 178 | 27 | -33.9 | 0 | 0 | 0 | 111.5 | ||
| 227 | F | 90.2 | Very high | 89.7 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 22% | 0.219 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 137.9 | 171.8 | -63.9 | -57 | 0 | 0 | 0 | 110.3 | W219 R221 V231 M233 L240 Y253 | W219-F227 HydrophobicContact CB-CE2 3.85Å; W219-F227 HydrophobicContact CB-CZ 3.77Å; W219-F227 WeakPolarHBondContact O-CE2 3.36Å; R221-F227 HydrophobicContact CG-CD1 3.93Å; R221-F227 HydrophobicContact CG-CE1 3.49Å; R221-F227 VanDerWaalsContact CG-CE1 3.49Å; R221-F227 HydrophobicContact CG-CZ 4.29Å; F227-V231 HydrophobicContact CB-CB 4.15Å; F227-V231 HydrophobicContact CB-CG1 4.46Å; F227-V231 HydrophobicContact CB-CG2 4.16Å; F227-V231 HydrophobicContact CG-CG1 4.47Å; F227-M233 HydrophobicContact CD2-CE 3.82Å; F227-M233 HydrophobicContact CE2-CE 3.76Å; F227-L240 HydrophobicContact CE1-CD1 3.98Å; F227-L240 HydrophobicContact CE2-CD1 4.38Å; F227-L240 HydrophobicContact CZ-CD1 3.84Å; F227-Y253 AromaticContact CD1-CE1 3.94Å; F227-Y253 HydrophobicContact CD1-CE1 3.94Å; F227-Y253 AromaticContact CE1-CD1 3.62Å; F227-Y253 HydrophobicContact CE1-CD1 3.62Å; F227-Y253 AromaticContact CE1-CE1 3.46Å; F227-Y253 HydrophobicContact CE1-CE1 3.46Å; F227-Y253 VanDerWaalsContact CE1-CE1 3.46Å; F227-Y253 HydrophobicContact CZ-CD1 4.35Å |
| 228 | P | 83.9 | Confident | 89.4 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 26% | 0.26 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 150.1 | 169.7 | 19.3 | -23.2 | 0 | 0 | 0 | 110.6 | K230 V231 D249 | P228-K230 HydrophobicContact CB-CG 4.25Å; P228-K230 HydrophobicContact CG-CG 4.33Å; P228-K230 PolarHBondContact O-N 2.85Å; P228-V231 HydrophobicContact CG-CG2 3.99Å; P228-V231 WeakPolarHBondContact O-CB 3.28Å; P228-V231 WeakPolarHBondContact O-CG2 3.47Å; P228-V231 PolarHBondContact O-N 3.47Å; P228-D249 WeakPolarHBondContact CG-OD1 3.36Å |
| 229 | S | 88.6 | Confident | 89.2 | Confident | 133 Ų | 133 | 62.3 Ų | 62.3 | 93% | 0.93 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19.9 | -174.7 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | V231 | S229-V231 VanDerWaalsContact C-N 3.29Å; S229-V231 PolarHBondContact O-N 2.84Å |
| 230 | K | 93.9 | Very high | 89.1 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 21% | 0.213 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.2 | 176.9 | 71.2 | -172.7 | -177.7 | 180 | 0 | 113.8 | P228 K232 P243 N244 D249 | P228-K230 HydrophobicContact CB-CG 4.25Å; P228-K230 HydrophobicContact CG-CG 4.33Å; P228-K230 PolarHBondContact O-N 2.85Å; K230-K232 PolarHBondContact O-N 3.03Å; K230-P243 HydrophobicContact CB-CG 4.18Å; K230-P243 WeakPolarHBondContact O-CD 3.08Å; K230-P243 VanDerWaalsContact O-CG 3.23Å; K230-P243 WeakPolarHBondContact O-CG 3.35Å; K230-N244 PolarHBondContact NZ-O 2.84Å; K230-D249 WeakPolarHBondContact CE-OD1 2.95Å; K230-D249 WeakPolarHBondContact CE-OD2 3.4Å; K230-D249 IonicContact NZ-OD1 3.86Å; K230-D249 PolarHBondContact NZ-OD1 2.83Å; K230-D249 IonicContact NZ-OD2 2.68Å; K230-D249 PolarHBondContact NZ-OD2 2.87Å |
| 231 | V | 93.5 | Very high | 89.1 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 13% | 0.127 | 34% | 0.336 | C | S | . | . | trans | -69.8 | 129 | -178.8 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | F227 P228 S229 L240 E241 I242 | F227-V231 HydrophobicContact CB-CB 4.15Å; F227-V231 HydrophobicContact CB-CG1 4.46Å; F227-V231 HydrophobicContact CB-CG2 4.16Å; F227-V231 HydrophobicContact CG-CG1 4.47Å; P228-V231 HydrophobicContact CG-CG2 3.99Å; P228-V231 WeakPolarHBondContact O-CB 3.28Å; P228-V231 WeakPolarHBondContact O-CG2 3.47Å; P228-V231 PolarHBondContact O-N 3.47Å; S229-V231 VanDerWaalsContact C-N 3.29Å; S229-V231 PolarHBondContact O-N 2.84Å; V231-L240 HydrophobicContact CG1-CD1 4.2Å; V231-L240 HydrophobicContact CG1-CD2 3.75Å; V231-L240 HydrophobicContact CG1-CG 3.69Å; V231-E241 CarbonylContact C-O 3.6Å; V231-E241 WeakPolarHBondContact CA-O 3.46Å; V231-I242 HydrophobicContact CG2-CG1 4.23Å; V231-I242 HydrophobicContact CG2-CG2 4.38Å | ||
| 232 | K | 93.8 | Very high | 89.2 | Confident | 116 Ų | 116 | 55 Ų | 55 | 50% | 0.504 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.5 | -179.2 | -64 | 179.8 | -177.3 | 179.6 | 0 | 109.9 | K230 E241 | K230-K232 PolarHBondContact O-N 3.03Å; K232-E241 HydrophobicContact CB-CB 4.45Å; K232-E241 PolarHBondContact N-O 3.09Å; K232-E241 PolarHBondContact O-N 3.39Å |
| 233 | M | 90.6 | Very high | 89.4 | Confident | 79 Ų | 79 | 54 Ų | 54 | 39% | 0.389 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 128.1 | 169.2 | -63.2 | 178.2 | -167.2 | 0 | 0 | 108.4 | W219 F227 N237 V239 | W219-M233 HydrophobicContact CB-CE 4.2Å; F227-M233 HydrophobicContact CD2-CE 3.82Å; F227-M233 HydrophobicContact CE2-CE 3.76Å; M233-N237 HydrophobicContact CB-CB 4.48Å; M233-N237 WeakPolarHBondContact CB-OD1 3.34Å; M233-N237 HydrophobicContact SD-CB 4.45Å; M233-V239 CarbonylContact C-O 3.49Å; M233-V239 WeakPolarHBondContact CA-O 3.46Å |
| 234 | K | 87.1 | Confident | 89.6 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 35% | 0.352 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 161.8 | 179.1 | -64.3 | 179.7 | -176.6 | 167.8 | 0 | 109.7 | N237 A238 V239 E241 | K234-N237 CarbonylContact O-C 3.52Å; K234-N237 PolarHBondContact O-N 2.82Å; K234-A238 PolarHBondContact O-N 2.86Å; K234-V239 HydrophobicContact CB-CB 4.29Å; K234-V239 PolarHBondContact N-O 3.24Å; K234-V239 PolarHBondContact O-N 3.35Å; K234-V239 VanDerWaalsContact O-N 3.14Å; K234-E241 IonicContact NZ-OE1 3.46Å; K234-E241 PolarHBondContact NZ-OE1 2.85Å; K234-E241 IonicContact NZ-OE2 2.65Å; K234-E241 PolarHBondContact NZ-OE2 2.8Å |
| 235 | N | 82.4 | Confident | 89.8 | Confident | 52 Ų | 52 | 50.7 Ų | 50.7 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 63.4 | 173.1 | -61.9 | -3.6 | 0 | 0 | 0 | 112.7 | Q109 F114 N237 A238 | Q109-N235 PolarHBondContact OE1-ND2 2.88Å; F114-N235 HydrophobicContact CD2-CB 3.76Å; F114-N235 HydrophobicContact CE2-CB 3.36Å; F114-N235 VanDerWaalsContact CE2-ND2 3.29Å; F114-N235 WeakPolarHBondContact CE2-ND2 3.36Å; N235-N237 PolarHBondContact O-N 2.72Å; N235-A238 VanDerWaalsContact O-CB 3.29Å; N235-A238 WeakPolarHBondContact O-CB 3.37Å; N235-A238 PolarHBondContact O-N 2.8Å |
| 236 | S | 86.1 | Confident | 90 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 45% | 0.448 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 41.1 | -178.7 | -51.6 | 0 | 0 | 0 | 0 | 112.7 | S111 A238 | S111-S236 PolarHBondContact N-OG 3.26Å; S236-A238 PolarHBondContact O-N 3.22Å |
| 237 | N | 89.1 | Confident | 90.1 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 8.7 | -176.8 | -52.6 | -24.3 | 0 | 0 | 0 | 116.1 | I217 W219 M233 K234 N235 V239 | I217-N237 HydrophobicContact CB-CB 4.38Å; I217-N237 HydrophobicContact CG2-CB 4.45Å; I217-N237 WeakPolarHBondContact CG2-O 3.5Å; I217-N237 VanDerWaalsContact O-CB 3.26Å; I217-N237 WeakPolarHBondContact O-CB 3.47Å; I217-N237 PolarHBondContact O-ND2 2.8Å; W219-N237 VanDerWaalsContact CD1-O 3.29Å; W219-N237 PolarHBondContact NE1-O 2.87Å; M233-N237 HydrophobicContact CB-CB 4.48Å; M233-N237 WeakPolarHBondContact CB-OD1 3.34Å; M233-N237 HydrophobicContact SD-CB 4.45Å; K234-N237 CarbonylContact O-C 3.52Å; K234-N237 PolarHBondContact O-N 2.82Å; N235-N237 PolarHBondContact O-N 2.72Å; N237-V239 VanDerWaalsContact C-N 3.26Å; N237-V239 PolarHBondContact O-N 2.8Å |
| 238 | A | 84.5 | Confident | 90.2 | Very high | 10 Ų | 10 | 54.4 Ų | 54.4 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -19.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F114 C207 K234 N235 S236 | F114-A238 HydrophobicContact CD2-CB 3.62Å; F114-A238 HydrophobicContact CE2-CB 3.4Å; F114-A238 VanDerWaalsContact CE2-CB 3.4Å; F114-A238 HydrophobicContact CG-CB 4.46Å; F114-A238 HydrophobicContact CZ-CB 4.15Å; C207-A238 PolarHBondContact N-O 2.78Å; C207-A238 WeakPolarHBondContact O-CB 3.42Å; K234-A238 PolarHBondContact O-N 2.86Å; N235-A238 VanDerWaalsContact O-CB 3.29Å; N235-A238 WeakPolarHBondContact O-CB 3.37Å; N235-A238 PolarHBondContact O-N 2.8Å; S236-A238 PolarHBondContact O-N 3.22Å |
| 239 | V | 87.5 | Confident | 90.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.5 | 175.2 | -177 | 0 | 0 | 0 | 0 | 111 | F114 L205 E206 M233 K234 N237 | F114-V239 HydrophobicContact CE2-CG2 3.77Å; F114-V239 HydrophobicContact CZ-CG2 3.43Å; F114-V239 VanDerWaalsContact CZ-CG2 3.43Å; L205-V239 CarbonylContact O-C 3.59Å; L205-V239 WeakPolarHBondContact O-CA 3.19Å; E206-V239 HydrophobicContact CG-CG2 4.49Å; M233-V239 CarbonylContact C-O 3.49Å; M233-V239 WeakPolarHBondContact CA-O 3.46Å; K234-V239 HydrophobicContact CB-CB 4.29Å; K234-V239 PolarHBondContact N-O 3.24Å; K234-V239 PolarHBondContact O-N 3.35Å; K234-V239 VanDerWaalsContact O-N 3.14Å; N237-V239 VanDerWaalsContact C-N 3.26Å; N237-V239 PolarHBondContact O-N 2.8Å |
| 240 | L | 91 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.9 | 169.4 | -174 | 156.3 | 0 | 0 | 0 | 109.2 | K204 L205 W219 F227 V231 I242 Y253 | K204-L240 CarbonylContact C-O 3.59Å; K204-L240 WeakPolarHBondContact CA-O 3.43Å; L205-L240 HydrophobicContact CB-CB 4.26Å; L205-L240 HydrophobicContact CD1-CD2 4.04Å; L205-L240 HydrophobicContact CG-CD2 4.19Å; L205-L240 PolarHBondContact N-O 3.04Å; L205-L240 PolarHBondContact O-N 2.74Å; W219-L240 HydrophobicContact CB-CD1 3.75Å; W219-L240 HydrophobicContact CD2-CB 4.01Å; W219-L240 HydrophobicContact CD2-CD1 3.73Å; W219-L240 HydrophobicContact CE3-CB 4.47Å; W219-L240 HydrophobicContact CE3-CD1 3.93Å; W219-L240 HydrophobicContact CG-CB 4.33Å; W219-L240 HydrophobicContact CG-CD1 3.67Å; W219-L240 HydrophobicContact CZ2-CB 4.13Å; F227-L240 HydrophobicContact CE1-CD1 3.98Å; F227-L240 HydrophobicContact CE2-CD1 4.38Å; F227-L240 HydrophobicContact CZ-CD1 3.84Å; V231-L240 HydrophobicContact CG1-CD1 4.2Å; V231-L240 HydrophobicContact CG1-CD2 3.75Å; V231-L240 HydrophobicContact CG1-CG 3.69Å; L240-I242 HydrophobicContact CD2-CD1 3.82Å; L240-I242 HydrophobicContact CD2-CG1 3.43Å; L240-I242 VanDerWaalsContact CD2-CG1 3.43Å; L240-Y253 HydrophobicContact CD1-CD1 4.04Å; L240-Y253 HydrophobicContact CD1-CE1 4.37Å; L240-Y253 HydrophobicContact CD2-CD1 4.36Å; L240-Y253 HydrophobicContact CD2-CE1 4.22Å |
| 241 | E | 92.2 | Very high | 90.5 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.4 | -179.6 | -174.6 | 175.1 | 111.5 | 0 | 0 | 110.4 | V202 V203 K204 V231 K232 K234 P243 | V202-E241 HydrophobicContact CG1-CG 3.8Å; V203-E241 CarbonylContact O-C 3.56Å; V203-E241 WeakPolarHBondContact O-CA 3.32Å; K204-E241 HydrophobicContact CG-CG 4.18Å; V231-E241 CarbonylContact C-O 3.6Å; V231-E241 WeakPolarHBondContact CA-O 3.46Å; K232-E241 HydrophobicContact CB-CB 4.45Å; K232-E241 PolarHBondContact N-O 3.09Å; K232-E241 PolarHBondContact O-N 3.39Å; K234-E241 IonicContact NZ-OE1 3.46Å; K234-E241 PolarHBondContact NZ-OE1 2.85Å; K234-E241 IonicContact NZ-OE2 2.65Å; K234-E241 PolarHBondContact NZ-OE2 2.8Å; E241-P243 WeakPolarHBondContact O-CD 3.03Å |
| 242 | I | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 94.4 | 176.5 | -44.6 | 178.5 | 0 | 0 | 0 | 107.7 | V202 V203 V231 L240 F245 D249 Y253 I270 | V202-I242 WeakPolarHBondContact CA-O 2.97Å; V203-I242 HydrophobicContact CB-CB 4.25Å; V203-I242 PolarHBondContact N-O 3.4Å; V203-I242 PolarHBondContact O-N 2.72Å; V231-I242 HydrophobicContact CG2-CG1 4.23Å; V231-I242 HydrophobicContact CG2-CG2 4.38Å; L240-I242 HydrophobicContact CD2-CD1 3.82Å; L240-I242 HydrophobicContact CD2-CG1 3.43Å; L240-I242 VanDerWaalsContact CD2-CG1 3.43Å; I242-F245 HydrophobicContact CG2-CD2 4.28Å; I242-D249 HydrophobicContact CG2-CB 4.22Å; I242-Y253 HydrophobicContact CD1-CE1 3.89Å; I242-Y253 HydrophobicContact CD1-CE2 4.49Å; I242-Y253 WeakPolarHBondContact CD1-OH 3.49Å; I242-I270 HydrophobicContact CD1-CD1 3.7Å |
| 243 | P | 94.6 | Very high | 90.2 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 21% | 0.208 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -72.5 | 149.6 | 173.4 | 31.4 | -34.1 | 0 | 0 | 0 | 110.4 | K230 E241 | K230-P243 HydrophobicContact CB-CG 4.18Å; K230-P243 WeakPolarHBondContact O-CD 3.08Å; K230-P243 VanDerWaalsContact O-CG 3.23Å; K230-P243 WeakPolarHBondContact O-CG 3.35Å; E241-P243 WeakPolarHBondContact O-CD 3.03Å |
| 244 | N | 93.5 | Very high | 90.2 | Very high | 83 Ų | 83 | 39.8 Ų | 39.8 | 44% | 0.444 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 49.8 | 65.9 | 177.2 | -175.5 | 19.7 | 0 | 0 | 0 | 112.2 | E200 S201 K230 Q246 | E200-N244 WeakPolarHBondContact CA-OD1 3.31Å; E200-N244 WeakPolarHBondContact CG-OD1 3.31Å; S201-N244 PolarHBondContact O-N 3.02Å; K230-N244 PolarHBondContact NZ-O 2.84Å; N244-Q246 PolarHBondContact O-N 2.89Å; N244-Q246 PolarHBondContact OD1-NE2 2.81Å |
| 245 | F | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -63.4 | 129.5 | -175.7 | -177 | -99.3 | 0 | 0 | 0 | 112.3 | A197 K199 E200 S201 V203 I242 D249 A250 I270 Y272 | A197-F245 HydrophobicContact CB-CD1 3.47Å; A197-F245 VanDerWaalsContact CB-CD1 3.47Å; A197-F245 HydrophobicContact CB-CD2 4.21Å; A197-F245 HydrophobicContact CB-CE1 3.36Å; A197-F245 HydrophobicContact CB-CE2 4.11Å; A197-F245 HydrophobicContact CB-CG 3.91Å; A197-F245 HydrophobicContact CB-CZ 3.71Å; K199-F245 WeakPolarHBondContact CA-O 3.22Å; E200-F245 PolarHBondContact N-O 2.77Å; S201-F245 WeakPolarHBondContact O-CB 3.31Å; S201-F245 PolarHBondContact O-N 3.24Å; V203-F245 HydrophobicContact CB-CD2 4.44Å; V203-F245 HydrophobicContact CG2-CB 3.91Å; V203-F245 HydrophobicContact CG2-CD2 3.61Å; V203-F245 HydrophobicContact CG2-CE2 4.27Å; V203-F245 HydrophobicContact CG2-CG 3.75Å; I242-F245 HydrophobicContact CG2-CD2 4.28Å; F245-D249 HydrophobicContact CD2-CB 3.63Å; F245-D249 HydrophobicContact CE2-CB 3.45Å; F245-D249 VanDerWaalsContact CE2-CB 3.45Å; F245-D249 HydrophobicContact CZ-CB 4.3Å; F245-A250 HydrophobicContact CZ-CB 3.98Å; F245-I270 HydrophobicContact CE1-CG2 4.37Å; F245-I270 HydrophobicContact CE2-CB 4.4Å; F245-I270 HydrophobicContact CE2-CD1 4.46Å; F245-I270 HydrophobicContact CE2-CG2 3.55Å; F245-I270 HydrophobicContact CZ-CB 4.42Å; F245-I270 HydrophobicContact CZ-CG2 3.45Å; F245-I270 VanDerWaalsContact CZ-CG2 3.45Å; F245-Y272 HydrophobicContact CD1-CD2 4.28Å; F245-Y272 AromaticContact CE1-CD2 3.83Å; F245-Y272 HydrophobicContact CE1-CD2 3.83Å | ||
| 246 | Q | 92.8 | Very high | 90.8 | Very high | 44 Ų | 44 | 34.4 Ų | 34.4 | 21% | 0.206 | 19% | 0.188 | C | C | . | . | trans | -121.9 | 170.7 | -179.7 | -61.9 | -57.2 | -36.6 | 0 | 0 | 110.9 | N244 E248 D249 | N244-Q246 PolarHBondContact O-N 2.89Å; N244-Q246 PolarHBondContact OD1-NE2 2.81Å; Q246-E248 VanDerWaalsContact C-N 3.29Å; Q246-E248 HydrophobicContact CB-CG 4.15Å; Q246-E248 PolarHBondContact O-N 3.27Å; Q246-D249 PolarHBondContact N-OD2 3Å; Q246-D249 WeakPolarHBondContact O-CB 3.4Å; Q246-D249 PolarHBondContact O-N 3.15Å | ||
| 247 | Q | 90.8 | Very high | 91 | Very high | 120 Ų | 120 | 31.4 Ų | 31.4 | 56% | 0.561 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | -62 | -35.6 | -176.9 | -175.5 | 171.2 | -8.1 | 0 | 0 | 113.2 | D249 A250 Y272 | Q247-D249 VanDerWaalsContact C-N 3.28Å; Q247-D249 PolarHBondContact O-N 3.38Å; Q247-A250 VanDerWaalsContact O-CB 3.28Å; Q247-A250 WeakPolarHBondContact O-CB 3.47Å; Q247-A250 PolarHBondContact O-N 2.96Å; Q247-Y272 VanDerWaalsContact CA-CD2 3.46Å; Q247-Y272 HydrophobicContact CB-CD1 3.94Å; Q247-Y272 HydrophobicContact CB-CD2 3.89Å; Q247-Y272 HydrophobicContact CB-CE1 4.02Å; Q247-Y272 HydrophobicContact CB-CE2 3.98Å; Q247-Y272 HydrophobicContact CB-CG 3.88Å; Q247-Y272 HydrophobicContact CG-CD1 3.79Å; Q247-Y272 HydrophobicContact CG-CD2 4.47Å; Q247-Y272 HydrophobicContact CG-CE1 4.2Å; Q247-Y272 HydrophobicContact CG-CG 3.95Å |
| 248 | E | 91.3 | Very high | 91.2 | Very high | 140 Ų | 140 | 32.5 Ų | 32.5 | 65% | 0.654 | 17% | 0.17 | S | C | * | . | G | 310 helix | trans | -67.6 | -23.1 | 177.8 | 62.2 | -143.5 | -151.2 | 0 | 0 | 114.7 | R221 Q246 A250 | R221-E248 PolarHBondContact NH2-O 3.11Å; Q246-E248 VanDerWaalsContact C-N 3.29Å; Q246-E248 HydrophobicContact CB-CG 4.15Å; Q246-E248 PolarHBondContact O-N 3.27Å; E248-A250 VanDerWaalsContact C-N 3.26Å; E248-A250 PolarHBondContact O-N 3.2Å |
| 249 | D | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -76.6 | -18 | 176.5 | -56.7 | -48.7 | 0 | 0 | 0 | 111.6 | P228 K230 I242 F245 Q246 Q247 Y253 | P228-D249 WeakPolarHBondContact CG-OD1 3.36Å; K230-D249 WeakPolarHBondContact CE-OD1 2.95Å; K230-D249 WeakPolarHBondContact CE-OD2 3.4Å; K230-D249 IonicContact NZ-OD1 3.86Å; K230-D249 PolarHBondContact NZ-OD1 2.83Å; K230-D249 IonicContact NZ-OD2 2.68Å; K230-D249 PolarHBondContact NZ-OD2 2.87Å; I242-D249 HydrophobicContact CG2-CB 4.22Å; F245-D249 HydrophobicContact CD2-CB 3.63Å; F245-D249 HydrophobicContact CE2-CB 3.45Å; F245-D249 VanDerWaalsContact CE2-CB 3.45Å; F245-D249 HydrophobicContact CZ-CB 4.3Å; Q246-D249 PolarHBondContact N-OD2 3Å; Q246-D249 WeakPolarHBondContact O-CB 3.4Å; Q246-D249 PolarHBondContact O-N 3.15Å; Q247-D249 VanDerWaalsContact C-N 3.28Å; Q247-D249 PolarHBondContact O-N 3.38Å; D249-Y253 VanDerWaalsContact O-CE2 3.26Å; D249-Y253 WeakPolarHBondContact O-CE2 3.44Å; D249-Y253 PolarHBondContact O-OH 2.89Å |
| 250 | A | 91.1 | Very high | 91.6 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | trans | -65.4 | 154.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R221 F245 Q247 E248 | R221-A250 PolarHBondContact NH2-O 2.89Å; F245-A250 HydrophobicContact CZ-CB 3.98Å; Q247-A250 VanDerWaalsContact O-CB 3.28Å; Q247-A250 WeakPolarHBondContact O-CB 3.47Å; Q247-A250 PolarHBondContact O-N 2.96Å; E248-A250 VanDerWaalsContact C-N 3.26Å; E248-A250 PolarHBondContact O-N 3.2Å | ||
| 251 | G | 90.4 | Very high | 91.4 | Very high | 20 Ų | 20 | 47.3 Ų | 47.3 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 132.3 | -162.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R269 I270 | G251-R269 WeakPolarHBondContact O-CA 3.41Å; G251-I270 PolarHBondContact N-O 3.2Å; G251-I270 PolarHBondContact O-N 3.13Å |
| 252 | M | 90 | Very high | 91.3 | Very high | 78 Ų | 78 | 47.1 Ų | 47.1 | 38% | 0.384 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 135.5 | -178.2 | -63 | -60.5 | -66 | 0 | 0 | 111.1 | P222 R267 G268 R269 | P222-M252 WeakPolarHBondContact CD-O 3.47Å; P222-M252 HydrophobicContact CG-CB 4.14Å; M252-R267 HydrophobicContact CE-CB 3.9Å; M252-G268 CarbonylContact C-O 3.59Å; M252-G268 WeakPolarHBondContact CA-O 3.37Å; M252-R269 HydrophobicContact SD-CB 3.57Å; M252-R269 VanDerWaalsContact SD-CB 3.57Å; M252-R269 HydrophobicContact SD-CG 3.91Å |
| 253 | Y | 91.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.5 | 171 | -71.3 | -105.7 | 0 | 0 | 0 | 107.9 | L205 R221 F227 L240 I242 D249 R267 G268 I270 | L205-Y253 HydrophobicContact CD1-CD1 3.85Å; L205-Y253 HydrophobicContact CD1-CD2 4.4Å; L205-Y253 HydrophobicContact CD1-CG 3.74Å; R221-Y253 HydrophobicContact CG-CE1 4.41Å; F227-Y253 AromaticContact CD1-CE1 3.94Å; F227-Y253 HydrophobicContact CD1-CE1 3.94Å; F227-Y253 AromaticContact CE1-CD1 3.62Å; F227-Y253 HydrophobicContact CE1-CD1 3.62Å; F227-Y253 AromaticContact CE1-CE1 3.46Å; F227-Y253 HydrophobicContact CE1-CE1 3.46Å; F227-Y253 VanDerWaalsContact CE1-CE1 3.46Å; F227-Y253 HydrophobicContact CZ-CD1 4.35Å; L240-Y253 HydrophobicContact CD1-CD1 4.04Å; L240-Y253 HydrophobicContact CD1-CE1 4.37Å; L240-Y253 HydrophobicContact CD2-CD1 4.36Å; L240-Y253 HydrophobicContact CD2-CE1 4.22Å; I242-Y253 HydrophobicContact CD1-CE1 3.89Å; I242-Y253 HydrophobicContact CD1-CE2 4.49Å; I242-Y253 WeakPolarHBondContact CD1-OH 3.49Å; D249-Y253 VanDerWaalsContact O-CE2 3.26Å; D249-Y253 WeakPolarHBondContact O-CE2 3.44Å; D249-Y253 PolarHBondContact O-OH 2.89Å; Y253-R267 CarbonylContact O-C 3.53Å; Y253-R267 WeakPolarHBondContact O-CA 3.47Å; Y253-G268 PolarHBondContact N-O 3.42Å; Y253-G268 PolarHBondContact O-N 2.97Å; Y253-I270 HydrophobicContact CD2-CD1 3.62Å; Y253-I270 HydrophobicContact CD2-CG1 3.88Å; Y253-I270 HydrophobicContact CE2-CB 4.5Å; Y253-I270 HydrophobicContact CE2-CD1 3.4Å; Y253-I270 HydrophobicContact CE2-CG1 3.98Å; Y253-I270 HydrophobicContact CG-CD1 4.35Å |
| 254 | E | 90.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.4 | 178.2 | -174 | 173.8 | -126.5 | 0 | 0 | 109.3 | W219 R220 P222 I256 A265 A266 R267 | W219-E254 WeakPolarHBondContact CA-O 3.43Å; R220-E254 HydrophobicContact CG-CB 4.21Å; R220-E254 IonicContact CZ-OE2 2.65Å; R220-E254 PolarHBondContact N-O 2.95Å; R220-E254 IonicContact NE-OE2 3.32Å; R220-E254 PolarHBondContact NE-OE2 2.84Å; R220-E254 IonicContact NH2-OE1 3.17Å; R220-E254 IonicContact NH2-OE2 2.83Å; R220-E254 PolarHBondContact NH2-OE2 2.78Å; R220-E254 PolarHBondContact O-N 2.93Å; P222-E254 HydrophobicContact CG-CB 3.77Å; E254-I256 HydrophobicContact CG-CG1 4.18Å; E254-A265 HydrophobicContact CG-CB 4.19Å; E254-A266 CarbonylContact C-O 3.51Å; E254-A266 VanDerWaalsContact CA-O 3.25Å; E254-A266 WeakPolarHBondContact CA-O 3.49Å; E254-R267 HydrophobicContact CB-CG 4.07Å; E254-R267 HydrophobicContact CG-CG 3.83Å; E254-R267 IonicContact OE1-CZ 3.68Å; E254-R267 VanDerWaalsContact OE1-CZ 3.26Å; E254-R267 IonicContact OE1-NE 2.66Å; E254-R267 PolarHBondContact OE1-NE 2.86Å; E254-R267 IonicContact OE1-NH2 3.31Å; E254-R267 PolarHBondContact OE1-NH2 3.32Å; E254-R267 IonicContact OE2-NH2 3.58Å |
| 255 | C | 91.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 138.3 | 166.9 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | C207 W219 A265 A266 | C207-C255 HydrophobicContact CB-CB 3.6Å; C207-C255 WeakPolarHBondContact CB-SG 3.08Å; C207-C255 WeakPolarHBondContact SG-CB 3.29Å; C207-C255 CovalentContact SG-SG 2Å; C207-C255 PolarHBondContact SG-SG 3.18Å; W219-C255 HydrophobicContact CD2-CB 4.11Å; W219-C255 HydrophobicContact CE3-CB 3.83Å; W219-C255 HydrophobicContact CH2-CB 3.84Å; W219-C255 HydrophobicContact CZ2-CB 4.1Å; W219-C255 HydrophobicContact CZ3-CB 3.69Å; C255-A265 CarbonylContact O-C 3.58Å; C255-A265 WeakPolarHBondContact O-CA 3.37Å; C255-A265 WeakPolarHBondContact O-CB 3.1Å; C255-A266 PolarHBondContact N-O 2.88Å; C255-A266 PolarHBondContact O-N 3.25Å |
| 256 | I | 91.4 | Very high | 90.2 | Very high | 18 Ų | 18 | 54 Ų | 54 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.3 | 179.2 | -53.8 | 169.9 | 0 | 0 | 0 | 107.9 | I217 S218 R220 E254 K263 A265 | I217-I256 WeakPolarHBondContact CA-O 3.12Å; S218-I256 PolarHBondContact N-O 2.81Å; S218-I256 PolarHBondContact O-N 2.95Å; R220-I256 HydrophobicContact CG-CD1 4.1Å; E254-I256 HydrophobicContact CG-CG1 4.18Å; I256-K263 HydrophobicContact CG2-CB 4.5Å; I256-K263 HydrophobicContact CG2-CD 4.47Å; I256-A265 HydrophobicContact CG1-CB 4.1Å |
| 257 | A | 90.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | P184 L186 A209 P215 E216 I217 K263 N264 | P184-A257 HydrophobicContact CB-CB 3.8Å; L186-A257 HydrophobicContact CD2-CB 4Å; L186-A257 HydrophobicContact CG-CB 4.42Å; A209-A257 HydrophobicContact CB-CB 3.34Å; P215-A257 HydrophobicContact CB-CB 4.11Å; E216-A257 WeakPolarHBondContact O-CA 3.42Å; I217-A257 HydrophobicContact CD1-CB 3.64Å; A257-K263 CarbonylContact O-C 3.46Å; A257-K263 VanDerWaalsContact O-CA 3.29Å; A257-K263 WeakPolarHBondContact O-CA 3.26Å; A257-N264 PolarHBondContact N-O 2.92Å; A257-N264 PolarHBondContact O-N 3.28Å |
| 258 | E | 93.2 | Very high | 89.7 | Confident | 78 Ų | 78 | 53 Ų | 53 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 136 | -174.7 | 172.3 | 164.7 | -157.6 | 0 | 0 | 112.2 | P215 E216 K263 | P215-E258 CarbonylContact C-O 3.57Å; P215-E258 VanDerWaalsContact CA-O 3.25Å; P215-E258 WeakPolarHBondContact CA-O 3.12Å; E216-E258 PolarHBondContact N-O 3.13Å; E216-E258 PolarHBondContact O-N 3.14Å; E258-K263 HydrophobicContact CB-CB 4.45Å; E258-K263 HydrophobicContact CB-CD 4.21Å; E258-K263 HydrophobicContact CB-CG 3.93Å; E258-K263 VanDerWaalsContact CD-CD 3.46Å; E258-K263 HydrophobicContact CG-CD 4.08Å; E258-K263 HydrophobicContact CG-CG 3.77Å; E258-K263 WeakPolarHBondContact OE1-CE 3.36Å; E258-K263 IonicContact OE1-NZ 3.38Å; E258-K263 PolarHBondContact OE1-NZ 2.92Å; E258-K263 VanDerWaalsContact OE2-CD 3.32Å; E258-K263 WeakPolarHBondContact OE2-CD 3.48Å; E258-K263 WeakPolarHBondContact OE2-CE 3.38Å; E258-K263 IonicContact OE2-NZ 2.74Å; E258-K263 PolarHBondContact OE2-NZ 2.86Å |
| 259 | N | 89.1 | Confident | 89.6 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 9% | 0.086 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 178 | 163.8 | 70.7 | 18.1 | 0 | 0 | 0 | 110 | M182 P184 P213 R261 G262 | M182-N259 PolarHBondContact O-ND2 3.33Å; P184-N259 WeakPolarHBondContact CD-OD1 3.44Å; P184-N259 HydrophobicContact CG-CB 4.26Å; P213-N259 WeakPolarHBondContact O-CB 3.47Å; P213-N259 PolarHBondContact O-ND2 2.82Å; N259-R261 PolarHBondContact O-N 2.84Å; N259-R261 WeakPolarHBondContact OD1-CA 3.38Å; N259-R261 VanDerWaalsContact OD1-CB 3.31Å; N259-R261 WeakPolarHBondContact OD1-CB 3.31Å; N259-R261 PolarHBondContact OD1-N 3.46Å; N259-G262 PolarHBondContact N-O 2.83Å; N259-G262 PolarHBondContact O-N 3.46Å; N259-G262 PolarHBondContact OD1-N 2.01Å |
| 260 | R | 89.7 | Confident | 89.4 | Confident | 185 Ų | 185 | 53.6 Ų | 53.6 | 70% | 0.698 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -12.5 | 178.6 | 69.7 | 178.1 | -179.4 | -177.6 | -4.5 | 115.5 | P213 | P213-R260 HydrophobicContact CG-CG 3.86Š|
| 261 | R | 87.6 | Confident | 89.4 | Confident | 119 Ų | 119 | 54 Ų | 54 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -17.7 | 177.8 | -61.8 | -54.6 | -164.1 | -176.3 | 4.4 | 112.9 | T181 R183 N259 | T181-R261 VanDerWaalsContact OG1-CZ 3.25Å; T181-R261 PolarHBondContact OG1-NE 2.87Å; T181-R261 PolarHBondContact OG1-NH2 2.77Å; R183-R261 HydrophobicContact CG-CB 3.79Å; R183-R261 WeakPolarHBondContact CG-O 3.49Å; R183-R261 PolarHBondContact NE-O 2.8Å; N259-R261 PolarHBondContact O-N 2.84Å; N259-R261 WeakPolarHBondContact OD1-CA 3.38Å; N259-R261 VanDerWaalsContact OD1-CB 3.31Å; N259-R261 WeakPolarHBondContact OD1-CB 3.31Å; N259-R261 PolarHBondContact OD1-N 3.46Å |
| 262 | G | 89.3 | Confident | 89.4 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 22% | 0.216 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.1 | -173.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P184 N259 | P184-G262 WeakPolarHBondContact CD-O 3.44Å; P184-G262 WeakPolarHBondContact CG-O 3.45Å; N259-G262 PolarHBondContact N-O 2.83Å; N259-G262 PolarHBondContact O-N 3.46Å; N259-G262 PolarHBondContact OD1-N 2.01Å |
| 263 | K | 90.5 | Very high | 89.4 | Confident | 137 Ų | 137 | 51.5 Ų | 51.5 | 60% | 0.596 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 151.7 | 175.7 | -45.1 | -165.8 | -161 | -144 | 0 | 110.8 | I256 A257 E258 | I256-K263 HydrophobicContact CG2-CB 4.5Å; I256-K263 HydrophobicContact CG2-CD 4.47Å; A257-K263 CarbonylContact O-C 3.46Å; A257-K263 VanDerWaalsContact O-CA 3.29Å; A257-K263 WeakPolarHBondContact O-CA 3.26Å; E258-K263 HydrophobicContact CB-CB 4.45Å; E258-K263 HydrophobicContact CB-CD 4.21Å; E258-K263 HydrophobicContact CB-CG 3.93Å; E258-K263 VanDerWaalsContact CD-CD 3.46Å; E258-K263 HydrophobicContact CG-CD 4.08Å; E258-K263 HydrophobicContact CG-CG 3.77Å; E258-K263 WeakPolarHBondContact OE1-CE 3.36Å; E258-K263 IonicContact OE1-NZ 3.38Å; E258-K263 PolarHBondContact OE1-NZ 2.92Å; E258-K263 VanDerWaalsContact OE2-CD 3.32Å; E258-K263 WeakPolarHBondContact OE2-CD 3.48Å; E258-K263 WeakPolarHBondContact OE2-CE 3.38Å; E258-K263 IonicContact OE2-NZ 2.74Å; E258-K263 PolarHBondContact OE2-NZ 2.86Å |
| 264 | N | 88.2 | Confident | 89.4 | Confident | 67 Ų | 67 | 52 Ų | 52 | 36% | 0.358 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 148.2 | 168.4 | -161 | -8.8 | 0 | 0 | 0 | 108.8 | P184 L186 A257 | P184-N264 HydrophobicContact CB-CB 4.23Å; P184-N264 VanDerWaalsContact O-CB 3.25Å; P184-N264 WeakPolarHBondContact O-CB 3.39Å; P184-N264 PolarHBondContact O-ND2 3.49Å; P184-N264 VanDerWaalsContact O-ND2 3.11Å; L186-N264 HydrophobicContact CD1-CB 4.17Å; A257-N264 PolarHBondContact N-O 2.92Å; A257-N264 PolarHBondContact O-N 3.28Å |
| 265 | A | 88.6 | Confident | 89.4 | Confident | 46 Ų | 46 | 57.4 Ų | 57.4 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 147.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E254 C255 I256 | E254-A265 HydrophobicContact CG-CB 4.19Å; C255-A265 CarbonylContact O-C 3.58Å; C255-A265 WeakPolarHBondContact O-CA 3.37Å; C255-A265 WeakPolarHBondContact O-CB 3.1Å; I256-A265 HydrophobicContact CG1-CB 4.1Å |
| 266 | A | 85.4 | Confident | 89.6 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 8% | 0.083 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 136.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110 | L186 M190 E254 C255 | L186-A266 HydrophobicContact CD1-CB 3.79Å; M190-A266 HydrophobicContact CE-CB 3.6Å; M190-A266 HydrophobicContact CG-CB 3.67Å; M190-A266 HydrophobicContact SD-CB 3.22Å; M190-A266 WeakPolarHBondContact SD-CB 3.23Å; E254-A266 CarbonylContact C-O 3.51Å; E254-A266 VanDerWaalsContact CA-O 3.25Å; E254-A266 WeakPolarHBondContact CA-O 3.49Å; C255-A266 PolarHBondContact N-O 2.88Å; C255-A266 PolarHBondContact O-N 3.25Å |
| 267 | R | 86.7 | Confident | 89.6 | Confident | 134 Ų | 134 | 60.4 Ų | 60.4 | 51% | 0.506 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 147.4 | 177.5 | -66.4 | -179.3 | -177 | -175.1 | -1.2 | 112.3 | M190 M252 Y253 E254 | M190-R267 WeakPolarHBondContact CE-O 3.49Å; M252-R267 HydrophobicContact CE-CB 3.9Å; Y253-R267 CarbonylContact O-C 3.53Å; Y253-R267 WeakPolarHBondContact O-CA 3.47Å; E254-R267 HydrophobicContact CB-CG 4.07Å; E254-R267 HydrophobicContact CG-CG 3.83Å; E254-R267 IonicContact OE1-CZ 3.68Å; E254-R267 VanDerWaalsContact OE1-CZ 3.26Å; E254-R267 IonicContact OE1-NE 2.66Å; E254-R267 PolarHBondContact OE1-NE 2.86Å; E254-R267 IonicContact OE1-NH2 3.31Å; E254-R267 PolarHBondContact OE1-NH2 3.32Å; E254-R267 IonicContact OE2-NH2 3.58Å |
| 268 | G | 85.8 | Confident | 89.9 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 148.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W192 M252 Y253 | W192-G268 CarbonylContact O-C 3.53Å; W192-G268 VanDerWaalsContact O-CA 3.23Å; W192-G268 WeakPolarHBondContact O-CA 3.23Å; M252-G268 CarbonylContact C-O 3.59Å; M252-G268 WeakPolarHBondContact CA-O 3.37Å; Y253-G268 PolarHBondContact N-O 3.42Å; Y253-G268 PolarHBondContact O-N 2.97Å |
| 269 | R | 88.5 | Confident | 90 | Very high | 151 Ų | 151 | 65.7 Ų | 65.7 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.3 | 176.9 | -170.2 | 173.9 | -179.9 | 166.1 | 1.5 | 111.5 | W192 S194 V195 G251 M252 | W192-R269 PolarHBondContact O-N 2.89Å; S194-R269 CarbonylContact C-O 3.57Å; S194-R269 WeakPolarHBondContact CA-O 3.43Å; V195-R269 PolarHBondContact N-O 2.82Å; G251-R269 WeakPolarHBondContact O-CA 3.41Å; M252-R269 HydrophobicContact SD-CB 3.57Å; M252-R269 VanDerWaalsContact SD-CB 3.57Å; M252-R269 HydrophobicContact SD-CG 3.91Å |
| 270 | I | 89.9 | Confident | 90.3 | Very high | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.4 | 165.4 | -46.7 | 174 | 0 | 0 | 0 | 108.6 | V195 A197 V203 L205 I242 F245 G251 Y253 | V195-I270 CarbonylContact O-C 3.52Å; V195-I270 WeakPolarHBondContact O-CA 3.06Å; A197-I270 HydrophobicContact CB-CG2 3.61Å; V203-I270 HydrophobicContact CG1-CD1 4.02Å; L205-I270 HydrophobicContact CD1-CD1 4.15Å; L205-I270 HydrophobicContact CD2-CD1 3.9Å; L205-I270 HydrophobicContact CD2-CG1 4.17Å; L205-I270 HydrophobicContact CG-CD1 4.47Å; I242-I270 HydrophobicContact CD1-CD1 3.7Å; F245-I270 HydrophobicContact CE1-CG2 4.37Å; F245-I270 HydrophobicContact CE2-CB 4.4Å; F245-I270 HydrophobicContact CE2-CD1 4.46Å; F245-I270 HydrophobicContact CE2-CG2 3.55Å; F245-I270 HydrophobicContact CZ-CB 4.42Å; F245-I270 HydrophobicContact CZ-CG2 3.45Å; F245-I270 VanDerWaalsContact CZ-CG2 3.45Å; G251-I270 PolarHBondContact N-O 3.2Å; G251-I270 PolarHBondContact O-N 3.13Å; Y253-I270 HydrophobicContact CD2-CD1 3.62Å; Y253-I270 HydrophobicContact CD2-CG1 3.88Å; Y253-I270 HydrophobicContact CE2-CB 4.5Å; Y253-I270 HydrophobicContact CE2-CD1 3.4Å; Y253-I270 HydrophobicContact CE2-CG1 3.98Å; Y253-I270 HydrophobicContact CG-CD1 4.35Å |
| 271 | S | 89.8 | Confident | 90.6 | Very high | 30 Ų | 30 | 63.3 Ų | 63.3 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 135.4 | 176.8 | 56.6 | 0 | 0 | 0 | 0 | 110.3 | V195 P196 A197 H273 | V195-S271 PolarHBondContact O-N 3.36Å; V195-S271 PolarHBondContact O-OG 3.46Å; P196-S271 WeakPolarHBondContact CA-OG 3.47Å; A197-S271 PolarHBondContact N-O 2.93Å; S271-H273 PolarHBondContact O-CD2 3.32Å; S271-H273 PolarHBondContact OG-NE2 3.01Å |
| 272 | Y | 91.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 11% | 0.114 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 127.6 | 176.7 | 176.4 | -104.5 | 0 | 0 | 0 | 111.5 | K199 F245 Q247 A274 K302 | K199-Y272 HydrophobicContact CB-CE2 3.8Å; K199-Y272 HydrophobicContact CG-CE2 3.99Å; F245-Y272 HydrophobicContact CD1-CD2 4.28Å; F245-Y272 AromaticContact CE1-CD2 3.83Å; F245-Y272 HydrophobicContact CE1-CD2 3.83Å; Q247-Y272 VanDerWaalsContact CA-CD2 3.46Å; Q247-Y272 HydrophobicContact CB-CD1 3.94Å; Q247-Y272 HydrophobicContact CB-CD2 3.89Å; Q247-Y272 HydrophobicContact CB-CE1 4.02Å; Q247-Y272 HydrophobicContact CB-CE2 3.98Å; Q247-Y272 HydrophobicContact CB-CG 3.88Å; Q247-Y272 HydrophobicContact CG-CD1 3.79Å; Q247-Y272 HydrophobicContact CG-CD2 4.47Å; Q247-Y272 HydrophobicContact CG-CE1 4.2Å; Q247-Y272 HydrophobicContact CG-CG 3.95Å; Y272-A274 HydrophobicContact CE1-CB 4.08Å; Y272-K302 HydrophobicContact CD1-CD 4.06Å; Y272-K302 VanDerWaalsContact O-CD 3.26Å; Y272-K302 WeakPolarHBondContact O-CD 3.47Å; Y272-K302 WeakPolarHBondContact O-CG 3.5Å |
| 273 | H | 90.4 | Very high | 91.4 | Very high | 18 Ų | 18 | 61.6 Ų | 61.6 | 8% | 0.083 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 146.2 | 174.3 | -63.6 | -97.3 | 0 | 0 | 0 | 110.5 | P196 A197 A198 K199 S271 K302 H352 | P196-H273 VanDerWaalsContact CA-CD2 3.46Å; P196-H273 WeakPolarHBondContact CA-CD2 3.16Å; P196-H273 VanDerWaalsContact CB-CD2 3.42Å; P196-H273 WeakPolarHBondContact CB-CD2 3.44Å; P196-H273 VanDerWaalsContact CB-NE2 3.3Å; P196-H273 WeakPolarHBondContact CB-NE2 3.35Å; A197-H273 PolarHBondContact O-N 2.92Å; A198-H273 CarbonylContact C-O 3.52Å; A198-H273 WeakPolarHBondContact CA-O 3.48Å; K199-H273 PolarHBondContact N-O 3.14Å; S271-H273 PolarHBondContact O-CD2 3.32Å; S271-H273 PolarHBondContact OG-NE2 3.01Å; H273-K302 CarbonylContact C-O 3.55Å; H273-K302 WeakPolarHBondContact CA-O 3.39Å; H273-H352 VanDerWaalsContact CB-NE2 3.25Å; H273-H352 WeakPolarHBondContact CB-NE2 3.47Å; H273-H352 AromaticContact CE1-NE2 3.86Å; H273-H352 AromaticContact CG-CD2 3.92Å; H273-H352 AromaticContact CG-CE1 3.88Å; H273-H352 AromaticContact CG-NE2 3.16Å; H273-H352 AromaticContact ND1-CD2 3.69Å; H273-H352 AromaticContact ND1-CE1 3.86Å; H273-H352 AromaticContact ND1-NE2 2.87Å; H273-H352 PolarHBondContact ND1-NE2 2.96Å |
| 274 | A | 90.6 | Very high | 91.8 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 131.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y272 K302 N350 | Y272-A274 HydrophobicContact CE1-CB 4.08Å; A274-K302 PolarHBondContact N-O 3.48Å; A274-K302 CarbonylContact O-C 3.6Å; A274-K302 PolarHBondContact O-N 3.27Å; A274-K302 VanDerWaalsContact O-O 3.11Å; A274-N350 PolarHBondContact O-ND2 2.97Å |
| 275 | K | 90.4 | Very high | 92.2 | Very high | 121 Ų | 121 | 58.1 Ų | 58.1 | 53% | 0.526 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 157.3 | 165.4 | 68.6 | 179.2 | -179.7 | -177.7 | 0 | 109.8 | ||
| 276 | P | 94.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 147.4 | -176.6 | -17.1 | 31.6 | 0 | 0 | 0 | 112.1 | A299 N300 P305 A348 N350 G353 V355 | P276-A299 HydrophobicContact CB-CB 4.24Å; P276-N300 CarbonylContact C-O 3.53Å; P276-N300 WeakPolarHBondContact CA-O 3.21Å; P276-N300 WeakPolarHBondContact CB-O 3.14Å; P276-P305 HydrophobicContact CB-CB 3.97Å; P276-P305 HydrophobicContact CB-CG 4.26Å; P276-P305 HydrophobicContact CG-CB 3.84Å; P276-A348 HydrophobicContact CB-CB 4.28Å; P276-N350 HydrophobicContact CG-CB 4.31Å; P276-G353 WeakPolarHBondContact CD-O 3.32Å; P276-V355 HydrophobicContact CB-CG2 3.88Å; P276-V355 WeakPolarHBondContact O-CG1 3.35Å |
| 277 | Q | 92.9 | Very high | 93 | Very high | 83 Ų | 83 | 62.8 Ų | 62.8 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 138.2 | 172.4 | -50.3 | -175.7 | -35 | 0 | 0 | 110.4 | L279 A299 N300 | Q277-L279 PolarHBondContact O-N 2.88Å; Q277-A299 CarbonylContact O-C 3.55Å; Q277-A299 WeakPolarHBondContact O-CA 3.35Å; Q277-A299 WeakPolarHBondContact O-CB 3.43Å; Q277-N300 VanDerWaalsContact CB-OD1 3.24Å; Q277-N300 WeakPolarHBondContact CB-OD1 3.39Å; Q277-N300 PolarHBondContact N-O 3.48Å; Q277-N300 PolarHBondContact N-OD1 3.09Å; Q277-N300 PolarHBondContact O-N 3.13Å; Q277-N300 PolarHBondContact O-OD1 2.91Å |
| 278 | W | 95.5 | Very high | 93.4 | Very high | 64 Ų | 64 | 57 Ų | 57 | 24% | 0.242 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 131.4 | -176.2 | -66 | 127.2 | 0 | 0 | 0 | 112.3 | T281 C297 A299 Y307 C346 A348 V355 Y356 | W278-T281 HydrophobicContact CB-CG2 3.71Å; W278-T281 HydrophobicContact CD2-CG2 4.23Å; W278-T281 HydrophobicContact CG-CG2 3.71Å; W278-C297 HydrophobicContact CE3-CB 4.43Å; W278-C297 HydrophobicContact CH2-CB 4.26Å; W278-C297 HydrophobicContact CZ3-CB 3.74Å; W278-A299 HydrophobicContact CE3-CB 3.75Å; W278-A299 HydrophobicContact CZ3-CB 3.89Å; W278-Y307 HydrophobicContact CZ3-CE1 4.19Å; W278-C346 VanDerWaalsContact CH2-SG 3.59Å; W278-A348 HydrophobicContact CH2-CB 3.47Å; W278-A348 VanDerWaalsContact CH2-CB 3.47Å; W278-A348 HydrophobicContact CZ2-CB 4.26Å; W278-A348 HydrophobicContact CZ3-CB 3.68Å; W278-V355 HydrophobicContact CD2-CG2 3.99Å; W278-V355 HydrophobicContact CG-CG2 4.47Å; W278-V355 HydrophobicContact CH2-CG2 4.21Å; W278-V355 HydrophobicContact CZ2-CB 4.21Å; W278-V355 HydrophobicContact CZ2-CG2 3.66Å; W278-V355 VanDerWaalsContact CZ2-O 3.32Å; W278-V355 WeakPolarHBondContact CZ2-O 3.31Å; W278-Y356 VanDerWaalsContact CZ2-C 3.47Å; W278-Y356 PolarHBondContact NE1-O 2.91Å |
| 279 | L | 95.9 | Very high | 93.7 | Very high | 125 Ų | 125 | 58.1 Ų | 58.1 | 65% | 0.654 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -34.9 | 165.1 | -60.3 | 176.2 | 0 | 0 | 0 | 110.6 | Q277 K298 N300 | Q277-L279 PolarHBondContact O-N 2.88Å; L279-K298 WeakPolarHBondContact CA-O 3.37Å; L279-K298 HydrophobicContact CB-CB 4.36Å; L279-K298 WeakPolarHBondContact CB-O 3.31Å; L279-K298 PolarHBondContact N-O 3.23Å; L279-N300 HydrophobicContact CD1-CB 4.22Å; L279-N300 HydrophobicContact CG-CB 4.39Å |
| 280 | Q | 95.9 | Very high | 93.8 | Very high | 78 Ų | 78 | 56.4 Ų | 56.4 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 127.9 | 178.7 | -173.8 | 177.4 | -18.6 | 0 | 0 | 109.1 | E296 C297 K298 | Q280-E296 PolarHBondContact NE2-O 3.26Å; Q280-C297 WeakPolarHBondContact O-CA 3.48Å; Q280-K298 HydrophobicContact CB-CB 3.96Å; Q280-K298 HydrophobicContact CB-CG 4.48Å; Q280-K298 PolarHBondContact N-O 3.09Å; Q280-K298 PolarHBondContact O-N 2.92Å |
| 281 | T | 96.4 | Very high | 94 | Very high | 73 Ų | 73 | 60 Ų | 60 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | trans | -115 | 159.1 | 179 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | W278 S357 | W278-T281 HydrophobicContact CB-CG2 3.71Å; W278-T281 HydrophobicContact CD2-CG2 4.23Å; W278-T281 HydrophobicContact CG-CG2 3.71Å; T281-S357 VanDerWaalsContact CB-OG 3.23Å; T281-S357 WeakPolarHBondContact CB-OG 3.11Å | ||
| 282 | I | 96.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | trans | -85.2 | 158.7 | 170.4 | 56 | 177.6 | 0 | 0 | 0 | 111.7 | W295 W309 S357 A359 | I282-W295 HydrophobicContact CB-CD2 4.39Å; I282-W295 HydrophobicContact CB-CG 4.45Å; I282-W295 HydrophobicContact CD1-CE3 4.44Å; I282-W295 HydrophobicContact CG2-CB 3.81Å; I282-W295 HydrophobicContact CG2-CD2 4.14Å; I282-W295 HydrophobicContact CG2-CG 3.82Å; I282-W309 HydrophobicContact CD1-CH2 4.05Å; I282-W309 HydrophobicContact CD1-CZ3 3.67Å; I282-W309 HydrophobicContact CG2-CH2 3.76Å; I282-W309 HydrophobicContact CG2-CZ3 4.43Å; I282-S357 WeakPolarHBondContact CG1-OG 3.34Å; I282-S357 PolarHBondContact N-OG 3.01Å; I282-S357 VanDerWaalsContact N-OG 3.14Å; I282-A359 HydrophobicContact CB-CB 4.03Å; I282-A359 HydrophobicContact CD1-CB 3.74Å; I282-A359 HydrophobicContact CG1-CB 3.7Å | ||
| 283 | T | 96.9 | Very high | 94.4 | Very high | 93 Ų | 93 | 62.6 Ų | 62.6 | 57% | 0.571 | 32% | 0.32 | S | S | * | . | trans | -136.4 | 155.3 | 179.6 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | T285 W295 A359 | T283-T285 PolarHBondContact O-N 2.77Å; T283-T285 PolarHBondContact O-OG1 3Å; T283-W295 WeakPolarHBondContact O-CZ2 3.48Å; T283-A359 WeakPolarHBondContact O-CB 3.26Å | ||
| 284 | D | 97.4 | Very high | 94.7 | Very high | 113 Ų | 113 | 67.8 Ų | 67.8 | 60% | 0.604 | 34% | 0.343 | S | S | * | . | trans | -50.9 | 133 | 176.8 | -61.6 | -14.7 | 0 | 0 | 0 | 111.1 | A359 Q360 | D284-A359 WeakPolarHBondContact OD1-CA 3.4Å; D284-Q360 CarbonylContact C-O 3.51Å; D284-Q360 WeakPolarHBondContact CA-O 3.32Å; D284-Q360 HydrophobicContact CB-CB 4.27Å; D284-Q360 WeakPolarHBondContact OD1-CB 3.41Å; D284-Q360 PolarHBondContact OD1-N 3.35Å | ||
| 285 | T | 96.9 | Very high | 95 | Very high | 18 Ų | 18 | 68 Ų | 68 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 130.7 | -172.6 | -58.2 | 0 | 0 | 0 | 0 | 109.7 | T283 R287 L293 W295 Q360 L361 M362 | T283-T285 PolarHBondContact O-N 2.77Å; T283-T285 PolarHBondContact O-OG1 3Å; T285-R287 HydrophobicContact CG2-CG 3.94Å; T285-L293 HydrophobicContact CG2-CD1 4.33Å; T285-W295 WeakPolarHBondContact OG1-CZ2 3.47Å; T285-W295 PolarHBondContact OG1-NE1 3.02Å; T285-W295 VanDerWaalsContact OG1-NE1 3.13Å; T285-Q360 PolarHBondContact N-O 2.78Å; T285-L361 WeakPolarHBondContact O-CA 3.43Å; T285-M362 PolarHBondContact O-N 2.86Å |
| 286 | A | 95.8 | Very high | 95.3 | Very high | 53 Ų | 53 | 64.4 Ų | 64.4 | 44% | 0.438 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | M362 L364 | A286-M362 VanDerWaalsContact CA-O 3.31Å; A286-M362 WeakPolarHBondContact CA-O 3.48Å; A286-L364 HydrophobicContact CB-CD1 4.1Å |
| 287 | R | 95.4 | Very high | 95.3 | Very high | 102 Ų | 102 | 64.4 Ų | 64.4 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 155 | 179.1 | -72.4 | -67 | 179.1 | -95.1 | 3.7 | 110.3 | T285 E291 L336 M362 V363 L364 | T285-R287 HydrophobicContact CG2-CG 3.94Å; R287-E291 WeakPolarHBondContact CA-OE2 3.4Å; R287-E291 WeakPolarHBondContact CB-OE2 3.23Å; R287-E291 WeakPolarHBondContact CD-OE2 3.46Å; R287-L336 HydrophobicContact CB-CD1 3.47Å; R287-L336 VanDerWaalsContact CB-CD1 3.47Å; R287-L336 HydrophobicContact CG-CD1 4.01Å; R287-M362 PolarHBondContact N-O 2.67Å; R287-V363 CarbonylContact O-C 3.56Å; R287-V363 WeakPolarHBondContact O-CA 3.48Å; R287-L364 PolarHBondContact O-N 2.7Å |
| 288 | S | 93.8 | Very high | 95.5 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 160 | 172.1 | -62 | 0 | 0 | 0 | 0 | 110.6 | E291 S396 P397 | S288-E291 PolarHBondContact N-OE2 2.83Å; S288-E291 PolarHBondContact O-N 3.27Å; S288-S396 WeakPolarHBondContact CA-OG 3.27Å; S288-S396 VanDerWaalsContact CB-OG 3.31Å; S288-S396 WeakPolarHBondContact CB-OG 3.38Å; S288-S396 PolarHBondContact OG-OG 3.19Å; S288-P397 WeakPolarHBondContact OG-CA 3.27Å |
| 289 | I | 93.4 | Very high | 95.5 | Very high | 31 Ų | 31 | 62 Ų | 62 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 151.4 | 164.7 | -157.7 | 175.3 | 0 | 0 | 0 | 110.1 | E291 L336 V363 L364 P397 F445 | I289-E291 PolarHBondContact O-N 3.43Å; I289-L336 CarbonylContact C-O 3.43Å; I289-L336 WeakPolarHBondContact CA-O 3.35Å; I289-L336 WeakPolarHBondContact CG1-O 3.42Å; I289-V363 HydrophobicContact CB-CG1 4.43Å; I289-L364 PolarHBondContact N-O 2.8Å; I289-P397 HydrophobicContact CG2-CG 4.01Å; I289-F445 HydrophobicContact CD1-CZ 4.15Å; I289-F445 HydrophobicContact CG2-CE2 3.76Å; I289-F445 HydrophobicContact CG2-CZ 3.84Å |
| 290 | E | 90.4 | Very high | 95.4 | Very high | 115 Ų | 115 | 59.2 Ų | 59.2 | 54% | 0.537 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | -11.4 | -179.9 | -63.1 | 165.7 | -146.1 | 0 | 0 | 116.3 | L336 Q444 | E290-L336 PolarHBondContact N-O 3.04Å; E290-Q444 PolarHBondContact OE1-NE2 2.77Å; E290-Q444 PolarHBondContact OE1-OE1 2.89Å |
| 291 | E | 94 | Very high | 95.2 | Very high | 78 Ų | 78 | 56.7 Ų | 56.7 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 159.8 | 168.9 | -67.2 | -173.7 | 153.2 | 0 | 0 | 111.2 | R287 S288 I289 A335 L336 | R287-E291 WeakPolarHBondContact CA-OE2 3.4Å; R287-E291 WeakPolarHBondContact CB-OE2 3.23Å; R287-E291 WeakPolarHBondContact CD-OE2 3.46Å; S288-E291 PolarHBondContact N-OE2 2.83Å; S288-E291 PolarHBondContact O-N 3.27Å; I289-E291 PolarHBondContact O-N 3.43Å; E291-A335 PolarHBondContact O-N 3.25Å; E291-L336 WeakPolarHBondContact O-CB 3.37Å; E291-L336 VanDerWaalsContact O-CG 3.22Å; E291-L336 WeakPolarHBondContact O-CG 3.44Å; E291-L336 PolarHBondContact O-N 3.22Å |
| 292 | N | 94.8 | Very high | 94.9 | Very high | 108 Ų | 108 | 58 Ų | 58 | 58% | 0.578 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -95.4 | 137.5 | 173.5 | -61.8 | -24.7 | 0 | 0 | 0 | 109.8 | I333 T334 A335 | N292-I333 CarbonylContact C-O 3.6Å; N292-I333 WeakPolarHBondContact CA-O 3.43Å; N292-T334 VanDerWaalsContact OD1-CA 3.24Å; N292-T334 WeakPolarHBondContact OD1-CA 3.4Å; N292-A335 PolarHBondContact OD1-N 2.8Å |
| 293 | L | 95.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 135.4 | 168.8 | -176.9 | 68.4 | 0 | 0 | 0 | 109.5 | T285 W295 S332 I333 L336 L361 | T285-L293 HydrophobicContact CG2-CD1 4.33Å; L293-W295 HydrophobicContact CD1-CD2 4.19Å; L293-W295 HydrophobicContact CD1-CG 4.35Å; L293-W295 HydrophobicContact CD2-CD2 4.17Å; L293-W295 HydrophobicContact CD2-CE3 3.94Å; L293-W295 HydrophobicContact CD2-CZ3 4.18Å; L293-W295 HydrophobicContact CG-CD2 4.4Å; L293-S332 CarbonylContact O-C 3.6Å; L293-S332 VanDerWaalsContact O-CA 3.29Å; L293-S332 WeakPolarHBondContact O-CA 3.36Å; L293-I333 HydrophobicContact CB-CB 4.17Å; L293-I333 HydrophobicContact CD2-CD1 4.04Å; L293-I333 HydrophobicContact CD2-CG1 4.37Å; L293-I333 PolarHBondContact N-O 3.17Å; L293-I333 PolarHBondContact O-N 3.24Å; L293-L336 HydrophobicContact CB-CD1 4.25Å; L293-L336 HydrophobicContact CB-CD2 4.21Å; L293-L336 HydrophobicContact CB-CG 4.47Å; L293-L361 HydrophobicContact CD1-CD1 4.16Å; L293-L361 HydrophobicContact CD2-CD1 4.18Å; L293-L361 HydrophobicContact CD2-CD2 3.7Å |
| 294 | F | 96.1 | Very high | 94.5 | Very high | 127 Ų | 127 | 63.8 Ų | 63.8 | 56% | 0.557 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 119.7 | 165.2 | 179.7 | -97.2 | 0 | 0 | 0 | 108.5 | E296 A330 S332 | F294-E296 HydrophobicContact CE1-CB 3.97Å; F294-E296 HydrophobicContact CZ-CB 4.12Å; F294-A330 HydrophobicContact CE2-CB 4.04Å; F294-A330 HydrophobicContact CZ-CB 4.25Å; F294-S332 WeakPolarHBondContact CD2-OG 3.49Å |
| 295 | W | 96.9 | Very high | 94.4 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 144.6 | 172 | -86.7 | -17.7 | 0 | 0 | 0 | 110.1 | I282 T283 T285 L293 W309 A330 L331 Y344 A359 L361 | I282-W295 HydrophobicContact CB-CD2 4.39Å; I282-W295 HydrophobicContact CB-CG 4.45Å; I282-W295 HydrophobicContact CD1-CE3 4.44Å; I282-W295 HydrophobicContact CG2-CB 3.81Å; I282-W295 HydrophobicContact CG2-CD2 4.14Å; I282-W295 HydrophobicContact CG2-CG 3.82Å; T283-W295 WeakPolarHBondContact O-CZ2 3.48Å; T285-W295 WeakPolarHBondContact OG1-CZ2 3.47Å; T285-W295 PolarHBondContact OG1-NE1 3.02Å; T285-W295 VanDerWaalsContact OG1-NE1 3.13Å; L293-W295 HydrophobicContact CD1-CD2 4.19Å; L293-W295 HydrophobicContact CD1-CG 4.35Å; L293-W295 HydrophobicContact CD2-CD2 4.17Å; L293-W295 HydrophobicContact CD2-CE3 3.94Å; L293-W295 HydrophobicContact CD2-CZ3 4.18Å; L293-W295 HydrophobicContact CG-CD2 4.4Å; W295-W309 HydrophobicContact CB-CH2 3.86Å; W295-W309 HydrophobicContact CB-CZ2 4.5Å; W295-W309 HydrophobicContact CE3-CH2 4.38Å; W295-W309 HydrophobicContact CE3-CZ3 4.11Å; W295-A330 CarbonylContact O-C 3.6Å; W295-A330 VanDerWaalsContact O-CA 3.27Å; W295-A330 WeakPolarHBondContact O-CA 3.47Å; W295-L331 HydrophobicContact CE3-CD2 4.39Å; W295-L331 PolarHBondContact N-O 2.84Å; W295-L331 PolarHBondContact O-N 2.86Å; W295-Y344 HydrophobicContact CH2-CD2 4.45Å; W295-Y344 HydrophobicContact CZ3-CD1 4.32Å; W295-Y344 AromaticContact CZ3-CD2 3.9Å; W295-Y344 HydrophobicContact CZ3-CD2 3.9Å; W295-Y344 AromaticContact CZ3-CG 3.67Å; W295-Y344 HydrophobicContact CZ3-CG 3.67Å; W295-A359 HydrophobicContact CH2-CB 3.82Å; W295-A359 HydrophobicContact CZ2-CB 3.88Å; W295-L361 HydrophobicContact CH2-CB 3.87Å; W295-L361 HydrophobicContact CZ3-CB 4.4Å |
| 296 | E | 95.8 | Very high | 94.3 | Very high | 45 Ų | 45 | 61.7 Ų | 61.7 | 21% | 0.21 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 130.1 | 179.1 | -171.4 | -173 | -154.1 | 0 | 0 | 109.6 | Q280 F294 K298 G329 A330 | Q280-E296 PolarHBondContact NE2-O 3.26Å; F294-E296 HydrophobicContact CE1-CB 3.97Å; F294-E296 HydrophobicContact CZ-CB 4.12Å; E296-K298 VanDerWaalsContact CD-CE 3.43Å; E296-K298 HydrophobicContact CG-CG 4.34Å; E296-K298 WeakPolarHBondContact OE1-CE 3.45Å; E296-K298 IonicContact OE1-NZ 3.93Å; E296-K298 PolarHBondContact OE1-NZ 2.86Å; E296-K298 IonicContact OE2-NZ 2.78Å; E296-K298 PolarHBondContact OE2-NZ 3.33Å; E296-G329 WeakPolarHBondContact CA-O 3.46Å; E296-A330 HydrophobicContact CG-CB 4.35Å |
| 297 | C | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -112.2 | 136.8 | 169.8 | 54.5 | 0 | 0 | 0 | 0 | 109.3 | W278 Q280 G329 C346 | W278-C297 HydrophobicContact CE3-CB 4.43Å; W278-C297 HydrophobicContact CH2-CB 4.26Å; W278-C297 HydrophobicContact CZ3-CB 3.74Å; Q280-C297 WeakPolarHBondContact O-CA 3.48Å; C297-G329 PolarHBondContact N-O 3.36Å; C297-G329 PolarHBondContact SG-O 2.9Å; C297-C346 HydrophobicContact CB-CB 3.69Å; C297-C346 WeakPolarHBondContact CB-SG 3.47Å; C297-C346 WeakPolarHBondContact SG-CB 3.09Å; C297-C346 CovalentContact SG-SG 2Å; C297-C346 PolarHBondContact SG-SG 2.99Å | ||
| 298 | K | 95.9 | Very high | 94.1 | Very high | 87 Ų | 87 | 58.5 Ų | 58.5 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.2 | 176.6 | -69 | 179.9 | 168.6 | 122.4 | 0 | 109.2 | L279 Q280 E296 | L279-K298 WeakPolarHBondContact CA-O 3.37Å; L279-K298 HydrophobicContact CB-CB 4.36Å; L279-K298 WeakPolarHBondContact CB-O 3.31Å; L279-K298 PolarHBondContact N-O 3.23Å; Q280-K298 HydrophobicContact CB-CB 3.96Å; Q280-K298 HydrophobicContact CB-CG 4.48Å; Q280-K298 PolarHBondContact N-O 3.09Å; Q280-K298 PolarHBondContact O-N 2.92Å; E296-K298 VanDerWaalsContact CD-CE 3.43Å; E296-K298 HydrophobicContact CG-CG 4.34Å; E296-K298 WeakPolarHBondContact OE1-CE 3.45Å; E296-K298 IonicContact OE1-NZ 3.93Å; E296-K298 PolarHBondContact OE1-NZ 2.86Å; E296-K298 IonicContact OE2-NZ 2.78Å; E296-K298 PolarHBondContact OE2-NZ 3.33Å |
| 299 | A | 95.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 58 Ų | 58 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P276 Q277 W278 P305 Y307 A348 | P276-A299 HydrophobicContact CB-CB 4.24Å; Q277-A299 CarbonylContact O-C 3.55Å; Q277-A299 WeakPolarHBondContact O-CA 3.35Å; Q277-A299 WeakPolarHBondContact O-CB 3.43Å; W278-A299 HydrophobicContact CE3-CB 3.75Å; W278-A299 HydrophobicContact CZ3-CB 3.89Å; A299-P305 HydrophobicContact CB-CG 4.11Å; A299-Y307 HydrophobicContact CB-CE1 4.25Å; A299-Y307 PolarHBondContact N-OH 2.76Å; A299-Y307 PolarHBondContact O-OH 2.91Å; A299-Y307 VanDerWaalsContact O-OH 3.14Å; A299-A348 HydrophobicContact CB-CB 3.69Å |
| 300 | N | 93.9 | Very high | 94.1 | Very high | 66 Ų | 66 | 57.6 Ų | 57.6 | 35% | 0.353 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 171.6 | 162.3 | 71 | 18.3 | 0 | 0 | 0 | 109.5 | P276 Q277 L279 | P276-N300 CarbonylContact C-O 3.53Å; P276-N300 WeakPolarHBondContact CA-O 3.21Å; P276-N300 WeakPolarHBondContact CB-O 3.14Å; Q277-N300 VanDerWaalsContact CB-OD1 3.24Å; Q277-N300 WeakPolarHBondContact CB-OD1 3.39Å; Q277-N300 PolarHBondContact N-O 3.48Å; Q277-N300 PolarHBondContact N-OD1 3.09Å; Q277-N300 PolarHBondContact O-N 3.13Å; Q277-N300 PolarHBondContact O-OD1 2.91Å; L279-N300 HydrophobicContact CD1-CB 4.22Å; L279-N300 HydrophobicContact CG-CB 4.39Å |
| 301 | G | 91.5 | Very high | 94.3 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.4 | 155.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P303 | G301-P303 CarbonylContact C-O 3.45Å; G301-P303 CarbonylContact O-C 3.28Å |
| 302 | K | 90.2 | Very high | 94.3 | Very high | 101 Ų | 101 | 53.2 Ų | 53.2 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 111.1 | 174.8 | -166.2 | 162 | 179.5 | 174 | 0 | 110.5 | Y272 H273 A274 | Y272-K302 HydrophobicContact CD1-CD 4.06Å; Y272-K302 VanDerWaalsContact O-CD 3.26Å; Y272-K302 WeakPolarHBondContact O-CD 3.47Å; Y272-K302 WeakPolarHBondContact O-CG 3.5Å; H273-K302 CarbonylContact C-O 3.55Å; H273-K302 WeakPolarHBondContact CA-O 3.39Å; A274-K302 PolarHBondContact N-O 3.48Å; A274-K302 CarbonylContact O-C 3.6Å; A274-K302 PolarHBondContact O-N 3.27Å; A274-K302 VanDerWaalsContact O-O 3.11Å |
| 303 | P | 91.8 | Very high | 94 | Very high | 50 Ų | 50 | 48.7 Ų | 48.7 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | S | Bend | cis | -62.2 | 162.5 | 1.6 | -22.2 | 34.8 | 0 | 0 | 0 | 114.5 | G301 N350 K351 | G301-P303 CarbonylContact C-O 3.45Å; G301-P303 CarbonylContact O-C 3.28Å; P303-N350 PolarHBondContact O-ND2 2.99Å; P303-K351 HydrophobicContact CG-CD 4.1Å; P303-K351 HydrophobicContact CG-CG 4.18Å |
| 304 | K | 93.1 | Very high | 93.8 | Very high | 176 Ų | 176 | 55.8 Ų | 55.8 | 77% | 0.765 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 130.2 | 177.6 | -174.4 | 179.5 | 178.7 | -175.9 | 0 | 109.1 | ||
| 305 | P | 95.2 | Very high | 93.5 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 148.3 | -177.9 | 27.4 | -33 | 0 | 0 | 0 | 112.2 | P276 A299 A348 E349 | P276-P305 HydrophobicContact CB-CB 3.97Å; P276-P305 HydrophobicContact CB-CG 4.26Å; P276-P305 HydrophobicContact CG-CB 3.84Å; A299-P305 HydrophobicContact CB-CG 4.11Å; P305-A348 HydrophobicContact CB-CB 4.19Å; P305-E349 CarbonylContact C-O 3.55Å; P305-E349 WeakPolarHBondContact CA-O 3.32Å |
| 306 | S | 95.5 | Very high | 93.1 | Very high | 79 Ų | 79 | 57.3 Ų | 57.3 | 55% | 0.552 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 154.4 | 162 | 51.6 | 0 | 0 | 0 | 0 | 110.2 | A348 E349 | S306-A348 WeakPolarHBondContact O-CA 3.37Å; S306-E349 PolarHBondContact N-O 2.84Å; S306-E349 PolarHBondContact O-N 2.8Å; S306-E349 PolarHBondContact OG-O 2.88Å |
| 307 | Y | 94.4 | Very high | 92.1 | Very high | 54 Ų | 54 | 60 Ų | 60 | 21% | 0.212 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 146.4 | -179 | -60.3 | -92.8 | 0 | 0 | 0 | 111.8 | W278 A299 V347 A348 | W278-Y307 HydrophobicContact CZ3-CE1 4.19Å; A299-Y307 HydrophobicContact CB-CE1 4.25Å; A299-Y307 PolarHBondContact N-OH 2.76Å; A299-Y307 PolarHBondContact O-OH 2.91Å; A299-Y307 VanDerWaalsContact O-OH 3.14Å; Y307-V347 CarbonylContact C-O 3.59Å; Y307-V347 VanDerWaalsContact CA-O 3.24Å; Y307-V347 WeakPolarHBondContact CA-O 3.35Å; Y307-A348 HydrophobicContact CD1-CB 3.9Å; Y307-A348 HydrophobicContact CE1-CB 3.75Å |
| 308 | S | 93 | Very high | 90.6 | Very high | 34 Ų | 34 | 63 Ų | 63 | 24% | 0.238 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 155.3 | 170.1 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | V347 | S308-V347 PolarHBondContact N-O 3.17Å; S308-V347 PolarHBondContact O-N 2.79Å |
| 309 | W | 94.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 145 | 179.2 | -74.1 | 88.6 | 0 | 0 | 0 | 111.5 | I282 W295 M316 I326 G329 A330 L331 Q345 C346 | I282-W309 HydrophobicContact CD1-CH2 4.05Å; I282-W309 HydrophobicContact CD1-CZ3 3.67Å; I282-W309 HydrophobicContact CG2-CH2 3.76Å; I282-W309 HydrophobicContact CG2-CZ3 4.43Å; W295-W309 HydrophobicContact CB-CH2 3.86Å; W295-W309 HydrophobicContact CB-CZ2 4.5Å; W295-W309 HydrophobicContact CE3-CH2 4.38Å; W295-W309 HydrophobicContact CE3-CZ3 4.11Å; W309-M316 HydrophobicContact CB-CB 4.26Å; W309-M316 HydrophobicContact CB-CG 4.4Å; W309-M316 HydrophobicContact CB-SD 4.07Å; W309-M316 PolarHBondContact O-N 2.96Å; W309-I326 HydrophobicContact CB-CD1 4.18Å; W309-I326 HydrophobicContact CG-CD1 4.49Å; W309-G329 WeakPolarHBondContact CZ2-O 3.36Å; W309-A330 PolarHBondContact NE1-O 3.01Å; W309-L331 HydrophobicContact CD2-CB 3.84Å; W309-L331 HydrophobicContact CD2-CD2 3.98Å; W309-L331 HydrophobicContact CD2-CG 4.46Å; W309-L331 VanDerWaalsContact CE2-CB 3.48Å; W309-L331 HydrophobicContact CE3-CB 4.21Å; W309-L331 HydrophobicContact CE3-CD2 3.65Å; W309-L331 HydrophobicContact CG-CB 4.38Å; W309-L331 HydrophobicContact CH2-CB 3.91Å; W309-L331 HydrophobicContact CH2-CD2 4.29Å; W309-L331 HydrophobicContact CZ2-CB 3.53Å; W309-L331 HydrophobicContact CZ3-CB 4.24Å; W309-L331 HydrophobicContact CZ3-CD2 3.81Å; W309-Q345 CarbonylContact C-O 3.49Å; W309-Q345 WeakPolarHBondContact CA-O 3.45Å; W309-C346 HydrophobicContact CD2-CB 4.12Å; W309-C346 HydrophobicContact CE3-CB 4.05Å; W309-C346 HydrophobicContact CH2-CB 3.84Å; W309-C346 HydrophobicContact CZ2-CB 3.88Å; W309-C346 HydrophobicContact CZ3-CB 3.93Å |
| 310 | L | 93.4 | Very high | 86.6 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 12% | 0.115 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.4 | 170.2 | -60.4 | 86.6 | 0 | 0 | 0 | 109.5 | L50 E314 Y344 Q345 V347 | L50-L310 HydrophobicContact CD1-CD2 4.38Å; L310-E314 CarbonylContact C-O 3.21Å; L310-E314 WeakPolarHBondContact CA-O 3.36Å; L310-E314 WeakPolarHBondContact CB-O 3.43Å; L310-Y344 CarbonylContact O-C 3.5Å; L310-Y344 WeakPolarHBondContact O-CA 3.32Å; L310-Q345 HydrophobicContact CB-CB 4.35Å; L310-Q345 PolarHBondContact N-O 3.31Å; L310-Q345 PolarHBondContact O-N 2.88Å; L310-V347 HydrophobicContact CD1-CB 4.48Å; L310-V347 HydrophobicContact CD1-CG2 3.26Å |
| 311 | K | 94 | Very high | 84.7 | Confident | 46 Ų | 46 | 74.6 Ų | 74.6 | 20% | 0.2 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.6 | 167.1 | -176.8 | -174.3 | -177.1 | -175.5 | 0 | 107.9 | G313 E314 M316 S339 Y344 | K311-G313 PolarHBondContact O-N 2.75Å; K311-G313 VanDerWaalsContact O-N 3.08Å; K311-E314 PolarHBondContact N-O 3.03Å; K311-E314 PolarHBondContact O-N 3.05Å; K311-M316 HydrophobicContact CB-CG 3.88Å; K311-M316 HydrophobicContact CB-SD 3.84Å; K311-S339 PolarHBondContact NZ-O 2.9Å; K311-Y344 HydrophobicContact CB-CD1 4.28Å; K311-Y344 HydrophobicContact CB-CE1 4.04Å; K311-Y344 HydrophobicContact CD-CE1 4.13Å; K311-Y344 HydrophobicContact CD-CE2 4.26Å; K311-Y344 WeakPolarHBondContact CD-OH 3.46Å; K311-Y344 WeakPolarHBondContact CE-OH 3.42Å; K311-Y344 HydrophobicContact CG-CD1 4.46Å; K311-Y344 HydrophobicContact CG-CE1 4Å; K311-Y344 HydrophobicContact CG-CE2 4.02Å |
| 312 | N | 93.6 | Very high | 83.5 | Confident | 55 Ų | 55 | 78.8 Ų | 78.8 | 29% | 0.294 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 25.8 | 179.4 | -61.2 | -21.2 | 0 | 0 | 0 | 114.5 | L46 G47 S48 G342 M343 | L46-N312 PolarHBondContact O-OD1 2.65Å; G47-N312 WeakPolarHBondContact CA-OD1 3.47Å; S48-N312 CarbonylContact O-C 3.51Å; S48-N312 WeakPolarHBondContact O-CA 3.48Å; S48-N312 PolarHBondContact OG-O 2.98Å; N312-G342 WeakPolarHBondContact OD1-CA 3.5Å; N312-M343 PolarHBondContact N-O 3.01Å; N312-M343 PolarHBondContact OD1-N 3.48Å |
| 313 | G | 89.5 | Confident | 83.3 | Confident | 14 Ų | 14 | 78.6 Ų | 78.6 | 14% | 0.144 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -3.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S48 L50 K311 | S48-G313 PolarHBondContact O-N 2.77Å; L50-G313 VanDerWaalsContact CD1-O 3.24Å; L50-G313 WeakPolarHBondContact CD1-O 3.29Å; K311-G313 PolarHBondContact O-N 2.75Å; K311-G313 VanDerWaalsContact O-N 3.08Å |
| 314 | E | 90.3 | Very high | 83.2 | Confident | 154 Ų | 154 | 78 Ų | 78 | 72% | 0.72 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.2 | 177 | -63.8 | -176 | 169.2 | 0 | 0 | 110.3 | L310 K311 M316 | L310-E314 CarbonylContact C-O 3.21Å; L310-E314 WeakPolarHBondContact CA-O 3.36Å; L310-E314 WeakPolarHBondContact CB-O 3.43Å; K311-E314 PolarHBondContact N-O 3.03Å; K311-E314 PolarHBondContact O-N 3.05Å; E314-M316 PolarHBondContact O-N 3.32Å |
| 315 | Q | 89.4 | Confident | 83 | Confident | 139 Ų | 139 | 75.3 Ų | 75.3 | 65% | 0.65 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 126.2 | 178.4 | -175.6 | 171.1 | -7.2 | 0 | 0 | 110.1 | V317 | Q315-V317 PolarHBondContact O-N 2.99Å |
| 316 | M | 88.4 | Confident | 82.6 | Confident | 37 Ų | 37 | 77.1 Ų | 77.1 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 121.1 | 173.2 | -61.9 | -174.7 | 72 | 0 | 0 | 108.6 | W309 K311 E314 V324 I326 L331 Y344 | W309-M316 HydrophobicContact CB-CB 4.26Å; W309-M316 HydrophobicContact CB-CG 4.4Å; W309-M316 HydrophobicContact CB-SD 4.07Å; W309-M316 PolarHBondContact O-N 2.96Å; K311-M316 HydrophobicContact CB-CG 3.88Å; K311-M316 HydrophobicContact CB-SD 3.84Å; E314-M316 PolarHBondContact O-N 3.32Å; M316-V324 HydrophobicContact CE-CG1 4.07Å; M316-I326 HydrophobicContact CB-CD1 3.98Å; M316-L331 HydrophobicContact CE-CD1 4.22Å; M316-L331 HydrophobicContact SD-CD2 4.47Å; M316-Y344 HydrophobicContact CE-CE1 4.07Å; M316-Y344 HydrophobicContact SD-CD1 3.94Å; M316-Y344 HydrophobicContact SD-CE1 3.68Å |
| 317 | V | 76.8 | Confident | 82.2 | Confident | 102 Ų | 102 | 79 Ų | 79 | 62% | 0.618 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -92.8 | 123.8 | 168.5 | -174.5 | 0 | 0 | 0 | 0 | 107.2 | Q315 E319 | Q315-V317 PolarHBondContact O-N 2.99Å; V317-E319 HydrophobicContact CG1-CB 4.04Å; V317-E319 HydrophobicContact CG1-CG 3.97Å; V317-E319 PolarHBondContact O-N 3.32Å |
| 318 | A | 63.3 | Low | 81.9 | Confident | 64 Ų | 64 | 82.2 Ų | 82.2 | 53% | 0.529 | 44% | 0.444 | S | S | . | . | trans | -74.7 | 75.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | I326 | A318-I326 HydrophobicContact CB-CB 4.16Å; A318-I326 HydrophobicContact CB-CD1 4.32Å; A318-I326 HydrophobicContact CB-CG1 4.47Å | ||
| 319 | E | 55 | Low | 81.8 | Confident | 153 Ų | 153 | 80.6 Ų | 80.6 | 72% | 0.715 | 43% | 0.433 | S | S | * | . | trans | -123.7 | 96 | 169.2 | -93.3 | 178.8 | 152.3 | 0 | 0 | 108.8 | V317 M321 | V317-E319 HydrophobicContact CG1-CB 4.04Å; V317-E319 HydrophobicContact CG1-CG 3.97Å; V317-E319 PolarHBondContact O-N 3.32Å; E319-M321 VanDerWaalsContact C-N 3.34Å; E319-M321 PolarHBondContact O-N 2.87Å | ||
| 320 | V | 52 | Low | 81.8 | Confident | 143 Ų | 143 | 81.2 Ų | 81.2 | 87% | 0.867 | 44% | 0.439 | S | S | * | . | trans | 46.8 | 45.4 | 153.8 | -155.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 321 | M | 55.3 | Low | 81.8 | Confident | 111 Ų | 111 | 80.2 Ų | 80.2 | 55% | 0.547 | 43% | 0.433 | S | S | . | . | trans | -88.6 | 106.7 | 142.3 | -65.4 | -140 | -164.3 | 0 | 0 | 104.7 | E319 R323 V324 | E319-M321 VanDerWaalsContact C-N 3.34Å; E319-M321 PolarHBondContact O-N 2.87Å; M321-R323 HydrophobicContact CB-CG 4.47Å; M321-R323 PolarHBondContact O-N 2.82Å; M321-V324 PolarHBondContact O-N 2.76Å | ||
| 322 | A | 66.1 | Low | 81.8 | Confident | 112 Ų | 112 | 79.2 Ų | 79.2 | 93% | 0.926 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -8.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 323 | R | 86.1 | Confident | 81.8 | Confident | 97 Ų | 97 | 76.7 Ų | 76.7 | 37% | 0.366 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -17.4 | 177.6 | 81.8 | -179.8 | 95.1 | 105.5 | 2.2 | 116 | M321 I333 T334 | M321-R323 HydrophobicContact CB-CG 4.47Å; M321-R323 PolarHBondContact O-N 2.82Å; R323-I333 CarbonylContact O-C 3.51Å; R323-I333 VanDerWaalsContact O-CA 3.27Å; R323-I333 WeakPolarHBondContact O-CA 3.32Å; R323-T334 VanDerWaalsContact CA-OG1 3.24Å; R323-T334 WeakPolarHBondContact CA-OG1 3.47Å; R323-T334 WeakPolarHBondContact CB-O 3.47Å; R323-T334 WeakPolarHBondContact CB-OG1 3.27Å; R323-T334 PolarHBondContact O-N 3.16Å; R323-T334 PolarHBondContact O-OG1 3.45Å |
| 324 | V | 88.2 | Confident | 81.9 | Confident | 37 Ų | 37 | 79 Ų | 79 | 22% | 0.224 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.5 | -176 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | M316 M321 I326 L331 S332 I333 | M316-V324 HydrophobicContact CE-CG1 4.07Å; M321-V324 PolarHBondContact O-N 2.76Å; V324-I326 HydrophobicContact CG1-CG1 4.43Å; V324-L331 HydrophobicContact CG1-CD1 3.78Å; V324-S332 WeakPolarHBondContact CA-O 3.14Å; V324-I333 HydrophobicContact CG2-CG1 4.3Å; V324-I333 HydrophobicContact CG2-CG2 4.31Å |
| 325 | E | 88.6 | Confident | 82 | Confident | 120 Ų | 120 | 74.3 Ų | 74.3 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.9 | 177.6 | -175 | 175.7 | -157.9 | 0 | 0 | 109.8 | L331 S332 | E325-L331 WeakPolarHBondContact O-CA 3.45Å; E325-S332 PolarHBondContact N-O 2.91Å; E325-S332 PolarHBondContact O-N 2.68Å |
| 326 | I | 87.9 | Confident | 82.2 | Confident | 45 Ų | 45 | 67.8 Ų | 67.8 | 23% | 0.231 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 117.8 | 178.9 | -62.3 | 172.8 | 0 | 0 | 0 | 108.3 | W309 M316 A318 V324 A330 L331 | W309-I326 HydrophobicContact CB-CD1 4.18Å; W309-I326 HydrophobicContact CG-CD1 4.49Å; M316-I326 HydrophobicContact CB-CD1 3.98Å; A318-I326 HydrophobicContact CB-CB 4.16Å; A318-I326 HydrophobicContact CB-CD1 4.32Å; A318-I326 HydrophobicContact CB-CG1 4.47Å; V324-I326 HydrophobicContact CG1-CG1 4.43Å; I326-A330 WeakPolarHBondContact CA-O 3.15Å; I326-L331 HydrophobicContact CD1-CD1 4.21Å; I326-L331 HydrophobicContact CG1-CD1 3.72Å |
| 327 | E | 87.6 | Confident | 82.4 | Confident | 120 Ų | 120 | 67.9 Ų | 67.9 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 124.7 | 178.5 | -161.6 | -163.9 | 154.9 | 0 | 0 | 110.8 | G329 A330 | E327-G329 PolarHBondContact O-N 2.86Å; E327-A330 PolarHBondContact N-O 3.46Å; E327-A330 VanDerWaalsContact N-O 3.14Å; E327-A330 WeakPolarHBondContact O-CA 3.24Å; E327-A330 VanDerWaalsContact O-CB 3.3Å; E327-A330 WeakPolarHBondContact O-CB 3.4Å; E327-A330 PolarHBondContact O-N 2.92Å |
| 328 | N | 86.9 | Confident | 83.1 | Confident | 120 Ų | 120 | 67.9 Ų | 67.9 | 64% | 0.642 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 33.9 | 168.1 | -70.1 | -43.4 | 0 | 0 | 0 | 116.1 | ||
| 329 | G | 90.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | -2.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E296 C297 W309 E327 | E296-G329 WeakPolarHBondContact CA-O 3.46Å; C297-G329 PolarHBondContact N-O 3.36Å; C297-G329 PolarHBondContact SG-O 2.9Å; W309-G329 WeakPolarHBondContact CZ2-O 3.36Å; E327-G329 PolarHBondContact O-N 2.86Å |
| 330 | A | 93.9 | Very high | 86.3 | Confident | 15 Ų | 15 | 62 Ų | 62 | 12% | 0.124 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 145.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F294 W295 E296 W309 I326 E327 | F294-A330 HydrophobicContact CE2-CB 4.04Å; F294-A330 HydrophobicContact CZ-CB 4.25Å; W295-A330 CarbonylContact O-C 3.6Å; W295-A330 VanDerWaalsContact O-CA 3.27Å; W295-A330 WeakPolarHBondContact O-CA 3.47Å; E296-A330 HydrophobicContact CG-CB 4.35Å; W309-A330 PolarHBondContact NE1-O 3.01Å; I326-A330 WeakPolarHBondContact CA-O 3.15Å; E327-A330 PolarHBondContact N-O 3.46Å; E327-A330 VanDerWaalsContact N-O 3.14Å; E327-A330 WeakPolarHBondContact O-CA 3.24Å; E327-A330 VanDerWaalsContact O-CB 3.3Å; E327-A330 WeakPolarHBondContact O-CB 3.4Å; E327-A330 PolarHBondContact O-N 2.92Å |
| 331 | L | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 118.2 | 169.6 | 170 | 67 | 0 | 0 | 0 | 107.7 | W295 W309 M316 V324 E325 I326 I333 Y344 | W295-L331 HydrophobicContact CE3-CD2 4.39Å; W295-L331 PolarHBondContact N-O 2.84Å; W295-L331 PolarHBondContact O-N 2.86Å; W309-L331 HydrophobicContact CD2-CB 3.84Å; W309-L331 HydrophobicContact CD2-CD2 3.98Å; W309-L331 HydrophobicContact CD2-CG 4.46Å; W309-L331 VanDerWaalsContact CE2-CB 3.48Å; W309-L331 HydrophobicContact CE3-CB 4.21Å; W309-L331 HydrophobicContact CE3-CD2 3.65Å; W309-L331 HydrophobicContact CG-CB 4.38Å; W309-L331 HydrophobicContact CH2-CB 3.91Å; W309-L331 HydrophobicContact CH2-CD2 4.29Å; W309-L331 HydrophobicContact CZ2-CB 3.53Å; W309-L331 HydrophobicContact CZ3-CB 4.24Å; W309-L331 HydrophobicContact CZ3-CD2 3.81Å; M316-L331 HydrophobicContact CE-CD1 4.22Å; M316-L331 HydrophobicContact SD-CD2 4.47Å; V324-L331 HydrophobicContact CG1-CD1 3.78Å; E325-L331 WeakPolarHBondContact O-CA 3.45Å; I326-L331 HydrophobicContact CD1-CD1 4.21Å; I326-L331 HydrophobicContact CG1-CD1 3.72Å; L331-I333 HydrophobicContact CD1-CG1 4.21Å; L331-I333 HydrophobicContact CG-CG1 4.32Å; L331-Y344 HydrophobicContact CD2-CD1 3.63Å; L331-Y344 HydrophobicContact CD2-CE1 3.79Å |
| 332 | S | 93.4 | Very high | 90.3 | Very high | 26 Ų | 26 | 51 Ų | 51 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.2 | 173.1 | -56.1 | 0 | 0 | 0 | 0 | 109.4 | L293 F294 V324 E325 | L293-S332 CarbonylContact O-C 3.6Å; L293-S332 VanDerWaalsContact O-CA 3.29Å; L293-S332 WeakPolarHBondContact O-CA 3.36Å; F294-S332 WeakPolarHBondContact CD2-OG 3.49Å; V324-S332 WeakPolarHBondContact CA-O 3.14Å; E325-S332 PolarHBondContact N-O 2.91Å; E325-S332 PolarHBondContact O-N 2.68Å |
| 333 | I | 93.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 113.8 | 170.4 | -51.3 | 179.1 | 0 | 0 | 0 | 107.7 | N292 L293 R323 V324 L331 L336 Y344 | N292-I333 CarbonylContact C-O 3.6Å; N292-I333 WeakPolarHBondContact CA-O 3.43Å; L293-I333 HydrophobicContact CB-CB 4.17Å; L293-I333 HydrophobicContact CD2-CD1 4.04Å; L293-I333 HydrophobicContact CD2-CG1 4.37Å; L293-I333 PolarHBondContact N-O 3.17Å; L293-I333 PolarHBondContact O-N 3.24Å; R323-I333 CarbonylContact O-C 3.51Å; R323-I333 VanDerWaalsContact O-CA 3.27Å; R323-I333 WeakPolarHBondContact O-CA 3.32Å; V324-I333 HydrophobicContact CG2-CG1 4.3Å; V324-I333 HydrophobicContact CG2-CG2 4.31Å; L331-I333 HydrophobicContact CD1-CG1 4.21Å; L331-I333 HydrophobicContact CG-CG1 4.32Å; I333-L336 HydrophobicContact CB-CD2 4.1Å; I333-L336 HydrophobicContact CG2-CD2 3.85Å; I333-Y344 HydrophobicContact CD1-CE1 4.14Å |
| 334 | T | 92.8 | Very high | 92.2 | Very high | 64 Ų | 64 | 42.3 Ų | 42.3 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -86.9 | 145.5 | 176.4 | 63.8 | 0 | 0 | 0 | 0 | 111 | N292 R323 | N292-T334 VanDerWaalsContact OD1-CA 3.24Å; N292-T334 WeakPolarHBondContact OD1-CA 3.4Å; R323-T334 VanDerWaalsContact CA-OG1 3.24Å; R323-T334 WeakPolarHBondContact CA-OG1 3.47Å; R323-T334 WeakPolarHBondContact CB-O 3.47Å; R323-T334 WeakPolarHBondContact CB-OG1 3.27Å; R323-T334 PolarHBondContact O-N 3.16Å; R323-T334 PolarHBondContact O-OG1 3.45Å |
| 335 | A | 91.5 | Very high | 92.6 | Very high | 54 Ų | 54 | 40.9 Ų | 40.9 | 45% | 0.446 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 50.8 | 66.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | E291 N292 | E291-A335 PolarHBondContact O-N 3.25Å; N292-A335 PolarHBondContact OD1-N 2.8Å |
| 336 | L | 93.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | trans | -52.4 | 143.4 | -178.8 | -75.7 | 169 | 0 | 0 | 0 | 112.5 | R287 I289 E290 E291 L293 I333 D340 L361 V363 | R287-L336 HydrophobicContact CB-CD1 3.47Å; R287-L336 VanDerWaalsContact CB-CD1 3.47Å; R287-L336 HydrophobicContact CG-CD1 4.01Å; I289-L336 CarbonylContact C-O 3.43Å; I289-L336 WeakPolarHBondContact CA-O 3.35Å; I289-L336 WeakPolarHBondContact CG1-O 3.42Å; E290-L336 PolarHBondContact N-O 3.04Å; E291-L336 WeakPolarHBondContact O-CB 3.37Å; E291-L336 VanDerWaalsContact O-CG 3.22Å; E291-L336 WeakPolarHBondContact O-CG 3.44Å; E291-L336 PolarHBondContact O-N 3.22Å; L293-L336 HydrophobicContact CB-CD1 4.25Å; L293-L336 HydrophobicContact CB-CD2 4.21Å; L293-L336 HydrophobicContact CB-CG 4.47Å; I333-L336 HydrophobicContact CB-CD2 4.1Å; I333-L336 HydrophobicContact CG2-CD2 3.85Å; L336-D340 WeakPolarHBondContact CA-OD2 3.27Å; L336-D340 HydrophobicContact CD2-CB 3.84Å; L336-L361 HydrophobicContact CD2-CD2 4.05Å; L336-V363 HydrophobicContact CB-CG1 4.17Å; L336-V363 HydrophobicContact CB-CG2 4.3Å; L336-V363 HydrophobicContact CD1-CG2 4.42Å; L336-V363 HydrophobicContact CD2-CG2 4.21Å | ||
| 337 | N | 92.6 | Very high | 93.3 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 21% | 0.214 | 20% | 0.196 | C | C | . | . | trans | -124.4 | 168.4 | 170.7 | 66.9 | 70.8 | 0 | 0 | 0 | 111 | S339 D340 V363 | N337-S339 PolarHBondContact O-N 2.89Å; N337-S339 WeakPolarHBondContact OD1-CA 3.43Å; N337-S339 VanDerWaalsContact OD1-CB 3.3Å; N337-S339 WeakPolarHBondContact OD1-CB 3.45Å; N337-S339 PolarHBondContact OD1-N 3.49Å; N337-S339 PolarHBondContact OD1-OG 3.04Å; N337-D340 VanDerWaalsContact CG-OD2 3.28Å; N337-D340 PolarHBondContact N-OD2 2.97Å; N337-D340 PolarHBondContact ND2-OD1 3.35Å; N337-D340 PolarHBondContact ND2-OD2 3.14Å; N337-D340 WeakPolarHBondContact O-CB 3.28Å; N337-D340 PolarHBondContact O-N 2.76Å; N337-D340 PolarHBondContact OD1-N 2.97Å; N337-V363 WeakPolarHBondContact O-CG2 3.28Å | ||
| 338 | L | 91.4 | Very high | 93.7 | Very high | 102 Ų | 102 | 27.6 Ų | 27.6 | 53% | 0.534 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -58.2 | -33.3 | -177.5 | -71.6 | 176.2 | 0 | 0 | 0 | 113.6 | D340 S341 V363 A365 | L338-D340 PolarHBondContact O-N 3.02Å; L338-S341 WeakPolarHBondContact O-CB 3.45Å; L338-S341 PolarHBondContact O-N 3.14Å; L338-S341 PolarHBondContact O-OG 2.86Å; L338-V363 WeakPolarHBondContact CD2-O 3.26Å; L338-A365 HydrophobicContact CD1-CB 4.4Å; L338-A365 HydrophobicContact CD2-CB 3.84Å; L338-A365 HydrophobicContact CG-CB 4.36Å |
| 339 | S | 91.4 | Very high | 94 | Very high | 85 Ų | 85 | 26.5 Ų | 26.5 | 59% | 0.594 | 16% | 0.16 | S | C | * | . | G | 310 helix | trans | -72.5 | -14.1 | 179.3 | 80.9 | 0 | 0 | 0 | 0 | 113.4 | K311 N337 S341 | K311-S339 PolarHBondContact NZ-O 2.9Å; N337-S339 PolarHBondContact O-N 2.89Å; N337-S339 WeakPolarHBondContact OD1-CA 3.43Å; N337-S339 VanDerWaalsContact OD1-CB 3.3Å; N337-S339 WeakPolarHBondContact OD1-CB 3.45Å; N337-S339 PolarHBondContact OD1-N 3.49Å; N337-S339 PolarHBondContact OD1-OG 3.04Å; S339-S341 PolarHBondContact O-N 2.91Å |
| 340 | D | 93.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -71.8 | -19.8 | 173.4 | -61.8 | -36.6 | 0 | 0 | 0 | 111.7 | L336 N337 L338 G342 Y344 L361 V363 | L336-D340 WeakPolarHBondContact CA-OD2 3.27Å; L336-D340 HydrophobicContact CD2-CB 3.84Å; N337-D340 VanDerWaalsContact CG-OD2 3.28Å; N337-D340 PolarHBondContact N-OD2 2.97Å; N337-D340 PolarHBondContact ND2-OD1 3.35Å; N337-D340 PolarHBondContact ND2-OD2 3.14Å; N337-D340 WeakPolarHBondContact O-CB 3.28Å; N337-D340 PolarHBondContact O-N 2.76Å; N337-D340 PolarHBondContact OD1-N 2.97Å; L338-D340 PolarHBondContact O-N 3.02Å; D340-G342 PolarHBondContact O-N 2.95Å; D340-Y344 WeakPolarHBondContact O-CE2 3.3Å; D340-Y344 PolarHBondContact O-OH 3.35Å; D340-L361 HydrophobicContact CB-CD2 4.4Å; D340-V363 HydrophobicContact CB-CG2 4.21Å |
| 341 | S | 95.9 | Very high | 93.8 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | trans | -54.8 | 139 | 172.4 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | L338 S339 L361 V363 | L338-S341 WeakPolarHBondContact O-CB 3.45Å; L338-S341 PolarHBondContact O-N 3.14Å; L338-S341 PolarHBondContact O-OG 2.86Å; S339-S341 PolarHBondContact O-N 2.91Å; S341-L361 VanDerWaalsContact CA-O 3.3Å; S341-L361 WeakPolarHBondContact CA-O 3.34Å; S341-V363 WeakPolarHBondContact OG-CB 3.45Å; S341-V363 PolarHBondContact OG-N 3.46Å | ||
| 342 | G | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.2 | -179.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L46 N312 D340 L361 | L46-G342 WeakPolarHBondContact O-CA 3.47Å; N312-G342 WeakPolarHBondContact OD1-CA 3.5Å; D340-G342 PolarHBondContact O-N 2.95Å; G342-L361 PolarHBondContact N-O 2.89Å; G342-L361 PolarHBondContact O-N 3.32Å |
| 343 | M | 96.3 | Very high | 93.1 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 120.1 | 172.9 | -64.7 | -62.2 | -67 | 0 | 0 | 109.3 | N44 I49 N312 Q360 | N44-M343 PolarHBondContact ND2-SD 2.8Å; N44-M343 VanDerWaalsContact ND2-SD 3.43Å; I49-M343 HydrophobicContact CG2-CB 3.72Å; I49-M343 HydrophobicContact CG2-CE 4.35Å; N312-M343 PolarHBondContact N-O 3.01Å; N312-M343 PolarHBondContact OD1-N 3.48Å; M343-Q360 HydrophobicContact SD-CB 3.72Å; M343-Q360 HydrophobicContact SD-CG 3.89Å |
| 344 | Y | 96.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 150.3 | 178.7 | -74.5 | -104.7 | 0 | 0 | 0 | 110.7 | W295 L310 K311 M316 L331 I333 D340 S358 A359 L361 | W295-Y344 HydrophobicContact CH2-CD2 4.45Å; W295-Y344 HydrophobicContact CZ3-CD1 4.32Å; W295-Y344 AromaticContact CZ3-CD2 3.9Å; W295-Y344 HydrophobicContact CZ3-CD2 3.9Å; W295-Y344 AromaticContact CZ3-CG 3.67Å; W295-Y344 HydrophobicContact CZ3-CG 3.67Å; L310-Y344 CarbonylContact O-C 3.5Å; L310-Y344 WeakPolarHBondContact O-CA 3.32Å; K311-Y344 HydrophobicContact CB-CD1 4.28Å; K311-Y344 HydrophobicContact CB-CE1 4.04Å; K311-Y344 HydrophobicContact CD-CE1 4.13Å; K311-Y344 HydrophobicContact CD-CE2 4.26Å; K311-Y344 WeakPolarHBondContact CD-OH 3.46Å; K311-Y344 WeakPolarHBondContact CE-OH 3.42Å; K311-Y344 HydrophobicContact CG-CD1 4.46Å; K311-Y344 HydrophobicContact CG-CE1 4Å; K311-Y344 HydrophobicContact CG-CE2 4.02Å; M316-Y344 HydrophobicContact CE-CE1 4.07Å; M316-Y344 HydrophobicContact SD-CD1 3.94Å; M316-Y344 HydrophobicContact SD-CE1 3.68Å; L331-Y344 HydrophobicContact CD2-CD1 3.63Å; L331-Y344 HydrophobicContact CD2-CE1 3.79Å; I333-Y344 HydrophobicContact CD1-CE1 4.14Å; D340-Y344 WeakPolarHBondContact O-CE2 3.3Å; D340-Y344 PolarHBondContact O-OH 3.35Å; Y344-S358 CarbonylContact O-C 3.57Å; Y344-S358 VanDerWaalsContact O-CA 3.27Å; Y344-S358 WeakPolarHBondContact O-CA 3.42Å; Y344-A359 PolarHBondContact N-O 2.8Å; Y344-A359 PolarHBondContact O-N 3.26Å; Y344-L361 HydrophobicContact CD2-CB 3.98Å; Y344-L361 HydrophobicContact CE2-CB 3.89Å; Y344-L361 HydrophobicContact CE2-CD2 3.89Å |
| 345 | Q | 95.8 | Very high | 93 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 122.1 | 177 | -173.8 | 174.7 | 71.2 | 0 | 0 | 110.3 | I49 L50 W309 L310 V347 Y356 S357 S358 | I49-Q345 HydrophobicContact CG2-CB 4.48Å; L50-Q345 PolarHBondContact O-NE2 2.77Å; L50-Q345 PolarHBondContact O-OE1 2.83Å; W309-Q345 CarbonylContact C-O 3.49Å; W309-Q345 WeakPolarHBondContact CA-O 3.45Å; L310-Q345 HydrophobicContact CB-CB 4.35Å; L310-Q345 PolarHBondContact N-O 3.31Å; L310-Q345 PolarHBondContact O-N 2.88Å; Q345-V347 HydrophobicContact CG-CG2 4.33Å; Q345-Y356 HydrophobicContact CG-CD1 4.17Å; Q345-S357 CarbonylContact C-O 3.55Å; Q345-S357 VanDerWaalsContact CA-O 3.27Å; Q345-S357 WeakPolarHBondContact CA-O 3.33Å; Q345-S358 WeakPolarHBondContact CG-OG 3.42Å; Q345-S358 PolarHBondContact NE2-OG 2.93Å |
| 346 | C | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 134.7 | 164.7 | 167.1 | 0 | 0 | 0 | 0 | 109.6 | W278 C297 W309 Y356 S357 | W278-C346 VanDerWaalsContact CH2-SG 3.59Å; C297-C346 HydrophobicContact CB-CB 3.69Å; C297-C346 WeakPolarHBondContact CB-SG 3.47Å; C297-C346 WeakPolarHBondContact SG-CB 3.09Å; C297-C346 CovalentContact SG-SG 2Å; C297-C346 PolarHBondContact SG-SG 2.99Å; W309-C346 HydrophobicContact CD2-CB 4.12Å; W309-C346 HydrophobicContact CE3-CB 4.05Å; W309-C346 HydrophobicContact CH2-CB 3.84Å; W309-C346 HydrophobicContact CZ2-CB 3.88Å; W309-C346 HydrophobicContact CZ3-CB 3.93Å; C346-Y356 WeakPolarHBondContact O-CA 3.34Å; C346-S357 PolarHBondContact N-O 3.35Å; C346-S357 PolarHBondContact O-N 2.88Å |
| 347 | V | 95.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.2 | 177 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | Y307 S308 L310 Q345 V355 Y356 | Y307-V347 CarbonylContact C-O 3.59Å; Y307-V347 VanDerWaalsContact CA-O 3.24Å; Y307-V347 WeakPolarHBondContact CA-O 3.35Å; S308-V347 PolarHBondContact N-O 3.17Å; S308-V347 PolarHBondContact O-N 2.79Å; L310-V347 HydrophobicContact CD1-CB 4.48Å; L310-V347 HydrophobicContact CD1-CG2 3.26Å; Q345-V347 HydrophobicContact CG-CG2 4.33Å; V347-V355 WeakPolarHBondContact CA-O 3.14Å; V347-Y356 HydrophobicContact CB-CD1 4.37Å; V347-Y356 HydrophobicContact CB-CE1 4.34Å; V347-Y356 HydrophobicContact CG1-CD1 4.13Å; V347-Y356 HydrophobicContact CG1-CE1 3.76Å; V347-Y356 HydrophobicContact CG2-CD1 3.57Å; V347-Y356 HydrophobicContact CG2-CE1 3.66Å |
| 348 | A | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | P276 W278 A299 P305 S306 Y307 S354 V355 | P276-A348 HydrophobicContact CB-CB 4.28Å; W278-A348 HydrophobicContact CH2-CB 3.47Å; W278-A348 VanDerWaalsContact CH2-CB 3.47Å; W278-A348 HydrophobicContact CZ2-CB 4.26Å; W278-A348 HydrophobicContact CZ3-CB 3.68Å; A299-A348 HydrophobicContact CB-CB 3.69Å; P305-A348 HydrophobicContact CB-CB 4.19Å; S306-A348 WeakPolarHBondContact O-CA 3.37Å; Y307-A348 HydrophobicContact CD1-CB 3.9Å; Y307-A348 HydrophobicContact CE1-CB 3.75Å; A348-S354 CarbonylContact O-C 3.57Å; A348-S354 VanDerWaalsContact O-CA 3.27Å; A348-S354 WeakPolarHBondContact O-CA 3.09Å; A348-V355 HydrophobicContact CB-CG2 3.94Å; A348-V355 PolarHBondContact N-O 2.85Å; A348-V355 PolarHBondContact O-N 3.06Å |
| 349 | E | 94.2 | Very high | 93.6 | Very high | 97 Ų | 97 | 33.1 Ų | 33.1 | 45% | 0.453 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142.4 | -171.5 | -177.1 | 168.6 | -165 | 0 | 0 | 112.4 | P305 S306 | P305-E349 CarbonylContact C-O 3.55Å; P305-E349 WeakPolarHBondContact CA-O 3.32Å; S306-E349 PolarHBondContact N-O 2.84Å; S306-E349 PolarHBondContact O-N 2.8Å; S306-E349 PolarHBondContact OG-O 2.88Å |
| 350 | N | 92.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 178.4 | 162.4 | 70.6 | 18.6 | 0 | 0 | 0 | 109.8 | A274 P276 P303 H352 G353 | A274-N350 PolarHBondContact O-ND2 2.97Å; P276-N350 HydrophobicContact CG-CB 4.31Å; P303-N350 PolarHBondContact O-ND2 2.99Å; N350-H352 PolarHBondContact O-N 2.88Å; N350-H352 WeakPolarHBondContact OD1-CA 3.47Å; N350-H352 WeakPolarHBondContact OD1-CB 3.2Å; N350-H352 PolarHBondContact OD1-N 3.45Å; N350-G353 PolarHBondContact N-O 3.23Å; N350-G353 PolarHBondContact O-N 3.01Å; N350-G353 VanDerWaalsContact O-O 3.13Å; N350-G353 PolarHBondContact OD1-N 3.45Å |
| 351 | K | 86.8 | Confident | 94 | Very high | 151 Ų | 151 | 31.2 Ų | 31.2 | 66% | 0.657 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -9.5 | 179.9 | 71.7 | -179.4 | -172.9 | 175.5 | 0 | 115.8 | P303 | P303-K351 HydrophobicContact CG-CD 4.1Å; P303-K351 HydrophobicContact CG-CG 4.18Å |
| 352 | H | 85.6 | Confident | 94 | Very high | 71 Ų | 71 | 33.8 Ų | 33.8 | 33% | 0.329 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 0.9 | 179.6 | -61.5 | -67.6 | 0 | 0 | 0 | 113.3 | H273 N350 | H273-H352 VanDerWaalsContact CB-NE2 3.25Å; H273-H352 WeakPolarHBondContact CB-NE2 3.47Å; H273-H352 AromaticContact CE1-NE2 3.86Å; H273-H352 AromaticContact CG-CD2 3.92Å; H273-H352 AromaticContact CG-CE1 3.88Å; H273-H352 AromaticContact CG-NE2 3.16Å; H273-H352 AromaticContact ND1-CD2 3.69Å; H273-H352 AromaticContact ND1-CE1 3.86Å; H273-H352 AromaticContact ND1-NE2 2.87Å; H273-H352 PolarHBondContact ND1-NE2 2.96Å; N350-H352 PolarHBondContact O-N 2.88Å; N350-H352 WeakPolarHBondContact OD1-CA 3.47Å; N350-H352 WeakPolarHBondContact OD1-CB 3.2Å; N350-H352 PolarHBondContact OD1-N 3.45Å |
| 353 | G | 87.3 | Confident | 94 | Very high | 28 Ų | 28 | 34.1 Ų | 34.1 | 29% | 0.289 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.5 | -179.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P276 N350 | P276-G353 WeakPolarHBondContact CD-O 3.32Å; N350-G353 PolarHBondContact N-O 3.23Å; N350-G353 PolarHBondContact O-N 3.01Å; N350-G353 VanDerWaalsContact O-O 3.13Å; N350-G353 PolarHBondContact OD1-N 3.45Å |
| 354 | S | 90.8 | Very high | 93.9 | Very high | 28 Ų | 28 | 36.2 Ų | 36.2 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 152.3 | -178.4 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | A348 Y356 | A348-S354 CarbonylContact O-C 3.57Å; A348-S354 VanDerWaalsContact O-CA 3.27Å; A348-S354 WeakPolarHBondContact O-CA 3.09Å; S354-Y356 VanDerWaalsContact OG-CE2 3.3Å; S354-Y356 WeakPolarHBondContact OG-CE2 3.4Å; S354-Y356 PolarHBondContact OG-OH 3.4Å; S354-Y356 VanDerWaalsContact OG-OH 3.05Å |
| 355 | V | 93.4 | Very high | 93.7 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 17% | 0.17 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 153.4 | 170.9 | -66.2 | 0 | 0 | 0 | 0 | 109.7 | P276 W278 V347 A348 | P276-V355 HydrophobicContact CB-CG2 3.88Å; P276-V355 WeakPolarHBondContact O-CG1 3.35Å; W278-V355 HydrophobicContact CD2-CG2 3.99Å; W278-V355 HydrophobicContact CG-CG2 4.47Å; W278-V355 HydrophobicContact CH2-CG2 4.21Å; W278-V355 HydrophobicContact CZ2-CB 4.21Å; W278-V355 HydrophobicContact CZ2-CG2 3.66Å; W278-V355 VanDerWaalsContact CZ2-O 3.32Å; W278-V355 WeakPolarHBondContact CZ2-O 3.31Å; V347-V355 WeakPolarHBondContact CA-O 3.14Å; A348-V355 HydrophobicContact CB-CG2 3.94Å; A348-V355 PolarHBondContact N-O 2.85Å; A348-V355 PolarHBondContact O-N 3.06Å |
| 356 | Y | 94.4 | Very high | 93.6 | Very high | 71 Ų | 71 | 40 Ų | 40 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 139.6 | -169.7 | -58.4 | -100.2 | 0 | 0 | 0 | 109.4 | R52 W278 Q345 C346 V347 S354 | R52-Y356 HydrophobicContact CB-CD2 4.39Å; R52-Y356 HydrophobicContact CB-CE2 3.54Å; W278-Y356 VanDerWaalsContact CZ2-C 3.47Å; W278-Y356 PolarHBondContact NE1-O 2.91Å; Q345-Y356 HydrophobicContact CG-CD1 4.17Å; C346-Y356 WeakPolarHBondContact O-CA 3.34Å; V347-Y356 HydrophobicContact CB-CD1 4.37Å; V347-Y356 HydrophobicContact CB-CE1 4.34Å; V347-Y356 HydrophobicContact CG1-CD1 4.13Å; V347-Y356 HydrophobicContact CG1-CE1 3.76Å; V347-Y356 HydrophobicContact CG2-CD1 3.57Å; V347-Y356 HydrophobicContact CG2-CE1 3.66Å; S354-Y356 VanDerWaalsContact OG-CE2 3.3Å; S354-Y356 WeakPolarHBondContact OG-CE2 3.4Å; S354-Y356 PolarHBondContact OG-OH 3.4Å; S354-Y356 VanDerWaalsContact OG-OH 3.05Å |
| 357 | S | 96.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.5 | 171.5 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | T281 I282 Q345 C346 | T281-S357 VanDerWaalsContact CB-OG 3.23Å; T281-S357 WeakPolarHBondContact CB-OG 3.11Å; I282-S357 WeakPolarHBondContact CG1-OG 3.34Å; I282-S357 PolarHBondContact N-OG 3.01Å; I282-S357 VanDerWaalsContact N-OG 3.14Å; Q345-S357 CarbonylContact C-O 3.55Å; Q345-S357 VanDerWaalsContact CA-O 3.27Å; Q345-S357 WeakPolarHBondContact CA-O 3.33Å; C346-S357 PolarHBondContact N-O 3.35Å; C346-S357 PolarHBondContact O-N 2.88Å |
| 358 | S | 95.6 | Very high | 93.5 | Very high | 42 Ų | 42 | 42.1 Ų | 42.1 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 143.5 | -174.3 | -67.8 | 0 | 0 | 0 | 0 | 111.5 | I49 Y344 Q345 | I49-S358 WeakPolarHBondContact CD1-OG 3.44Å; Y344-S358 CarbonylContact O-C 3.57Å; Y344-S358 VanDerWaalsContact O-CA 3.27Å; Y344-S358 WeakPolarHBondContact O-CA 3.42Å; Q345-S358 WeakPolarHBondContact CG-OG 3.42Å; Q345-S358 PolarHBondContact NE2-OG 2.93Å |
| 359 | A | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 151 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I282 T283 D284 W295 Y344 | I282-A359 HydrophobicContact CB-CB 4.03Å; I282-A359 HydrophobicContact CD1-CB 3.74Å; I282-A359 HydrophobicContact CG1-CB 3.7Å; T283-A359 WeakPolarHBondContact O-CB 3.26Å; D284-A359 WeakPolarHBondContact OD1-CA 3.4Å; W295-A359 HydrophobicContact CH2-CB 3.82Å; W295-A359 HydrophobicContact CZ2-CB 3.88Å; Y344-A359 PolarHBondContact N-O 2.8Å; Y344-A359 PolarHBondContact O-N 3.26Å |
| 360 | Q | 96.6 | Very high | 93.3 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.5 | 174.2 | -175.1 | 177 | -52.3 | 0 | 0 | 110.8 | N44 L46 D284 T285 M343 | N44-Q360 PolarHBondContact ND2-OE1 2.96Å; L46-Q360 HydrophobicContact CD1-CG 3.27Å; D284-Q360 CarbonylContact C-O 3.51Å; D284-Q360 WeakPolarHBondContact CA-O 3.32Å; D284-Q360 HydrophobicContact CB-CB 4.27Å; D284-Q360 WeakPolarHBondContact OD1-CB 3.41Å; D284-Q360 PolarHBondContact OD1-N 3.35Å; T285-Q360 PolarHBondContact N-O 2.78Å; M343-Q360 HydrophobicContact SD-CB 3.72Å; M343-Q360 HydrophobicContact SD-CG 3.89Å |
| 361 | L | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.9 | 166.4 | -178.8 | 61.9 | 0 | 0 | 0 | 109.4 | T285 L293 W295 L336 D340 S341 G342 Y344 V363 | T285-L361 WeakPolarHBondContact O-CA 3.43Å; L293-L361 HydrophobicContact CD1-CD1 4.16Å; L293-L361 HydrophobicContact CD2-CD1 4.18Å; L293-L361 HydrophobicContact CD2-CD2 3.7Å; W295-L361 HydrophobicContact CH2-CB 3.87Å; W295-L361 HydrophobicContact CZ3-CB 4.4Å; L336-L361 HydrophobicContact CD2-CD2 4.05Å; D340-L361 HydrophobicContact CB-CD2 4.4Å; S341-L361 VanDerWaalsContact CA-O 3.3Å; S341-L361 WeakPolarHBondContact CA-O 3.34Å; G342-L361 PolarHBondContact N-O 2.89Å; G342-L361 PolarHBondContact O-N 3.32Å; Y344-L361 HydrophobicContact CD2-CB 3.98Å; Y344-L361 HydrophobicContact CE2-CB 3.89Å; Y344-L361 HydrophobicContact CE2-CD2 3.89Å; L361-V363 HydrophobicContact CD2-CG2 4.3Å; L361-V363 HydrophobicContact CG-CG2 4.16Å |
| 362 | M | 95.6 | Very high | 92.7 | Very high | 78 Ų | 78 | 48.7 Ų | 48.7 | 38% | 0.384 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 112.3 | 171.2 | -177.5 | 172.9 | -88.5 | 0 | 0 | 109.7 | L46 T285 A286 R287 L364 | L46-M362 HydrophobicContact CD1-CE 4.28Å; T285-M362 PolarHBondContact O-N 2.86Å; A286-M362 VanDerWaalsContact CA-O 3.31Å; A286-M362 WeakPolarHBondContact CA-O 3.48Å; R287-M362 PolarHBondContact N-O 2.67Å; M362-L364 HydrophobicContact CG-CD2 3.71Å; M362-L364 HydrophobicContact CG-CG 4.3Å; M362-L364 HydrophobicContact SD-CD2 3.78Å |
| 363 | V | 95.8 | Very high | 92.7 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 109 | R287 I289 L336 N337 L338 D340 S341 L361 | R287-V363 CarbonylContact O-C 3.56Å; R287-V363 WeakPolarHBondContact O-CA 3.48Å; I289-V363 HydrophobicContact CB-CG1 4.43Å; L336-V363 HydrophobicContact CB-CG1 4.17Å; L336-V363 HydrophobicContact CB-CG2 4.3Å; L336-V363 HydrophobicContact CD1-CG2 4.42Å; L336-V363 HydrophobicContact CD2-CG2 4.21Å; N337-V363 WeakPolarHBondContact O-CG2 3.28Å; L338-V363 WeakPolarHBondContact CD2-O 3.26Å; D340-V363 HydrophobicContact CB-CG2 4.21Å; S341-V363 WeakPolarHBondContact OG-CB 3.45Å; S341-V363 PolarHBondContact OG-N 3.46Å; L361-V363 HydrophobicContact CD2-CG2 4.3Å; L361-V363 HydrophobicContact CG-CG2 4.16Å |
| 364 | L | 94.1 | Very high | 92.5 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.8 | -172.4 | -63.2 | 176.1 | 0 | 0 | 0 | 110.6 | A286 R287 I289 M362 S396 | A286-L364 HydrophobicContact CB-CD1 4.1Å; R287-L364 PolarHBondContact O-N 2.7Å; I289-L364 PolarHBondContact N-O 2.8Å; M362-L364 HydrophobicContact CG-CD2 3.71Å; M362-L364 HydrophobicContact CG-CG 4.3Å; M362-L364 HydrophobicContact SD-CD2 3.78Å; L364-S396 VanDerWaalsContact C-OG 3.31Å; L364-S396 WeakPolarHBondContact CB-OG 3.24Å; L364-S396 PolarHBondContact O-OG 3.42Å |
| 365 | A | 92.8 | Very high | 92.4 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 31% | 0.306 | 27% | 0.273 | S | S | . | . | trans | -133.3 | 106.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | L338 S396 F445 | L338-A365 HydrophobicContact CD1-CB 4.4Å; L338-A365 HydrophobicContact CD2-CB 3.84Å; L338-A365 HydrophobicContact CG-CB 4.36Å; A365-S396 CarbonylContact C-O 3.44Å; A365-S396 WeakPolarHBondContact CA-O 3.17Å; A365-F445 HydrophobicContact CB-CD2 4.37Å; A365-F445 HydrophobicContact CB-CE1 4.18Å; A365-F445 HydrophobicContact CB-CE2 3.74Å; A365-F445 HydrophobicContact CB-CZ 3.65Å | ||
| 366 | S | 93.2 | Very high | 92 | Very high | 52 Ų | 52 | 54 Ų | 54 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 135.1 | -179.6 | 70.1 | 0 | 0 | 0 | 0 | 111 | S396 N443 | S366-S396 PolarHBondContact N-O 3.24Å; S366-S396 PolarHBondContact O-N 3.37Å; S366-S396 VanDerWaalsContact O-O 3.11Å; S366-S396 PolarHBondContact OG-N 2.65Å; S366-S396 VanDerWaalsContact OG-N 3.13Å; S366-N443 PolarHBondContact O-ND2 3.39Å |
| 367 | A | 93.9 | Very high | 91.7 | Very high | 42 Ų | 42 | 55 Ų | 55 | 35% | 0.347 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 155.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S369 F445 | A367-S369 PolarHBondContact O-N 2.89Å; A367-F445 HydrophobicContact CB-CB 4.08Å |
| 368 | P | 95.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 139.7 | 178.5 | -15.7 | 33.6 | 0 | 0 | 0 | 109.5 | P393 Q394 A395 A399 A441 N443 G446 A448 | P368-P393 HydrophobicContact CB-CB 4.16Å; P368-Q394 CarbonylContact C-O 3.54Å; P368-Q394 WeakPolarHBondContact CA-O 3.44Å; P368-A395 HydrophobicContact CB-CB 3.95Å; P368-A395 HydrophobicContact CG-CB 4.11Å; P368-A399 HydrophobicContact CB-CB 3.88Å; P368-A399 HydrophobicContact CG-CB 3.63Å; P368-A441 HydrophobicContact CB-CB 3.83Å; P368-A441 HydrophobicContact CG-CB 4.48Å; P368-A441 WeakPolarHBondContact CG-O 3.47Å; P368-N443 VanDerWaalsContact CD-OD1 3.31Å; P368-N443 WeakPolarHBondContact CD-OD1 3.37Å; P368-N443 HydrophobicContact CG-CB 4.2Å; P368-G446 WeakPolarHBondContact CD-O 3.3Å; P368-A448 HydrophobicContact CB-CB 4.33Å; P368-A448 WeakPolarHBondContact O-CB 3.24Å |
| 369 | S | 94.3 | Very high | 91.4 | Very high | 56 Ų | 56 | 58.3 Ų | 58.3 | 39% | 0.392 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 157.9 | 177.9 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | A367 Q394 | A367-S369 PolarHBondContact O-N 2.89Å; S369-Q394 PolarHBondContact N-O 2.8Å; S369-Q394 PolarHBondContact O-N 3.23Å; S369-Q394 PolarHBondContact OG-O 2.7Å |
| 370 | F | 91.5 | Very high | 91.2 | Very high | 41 Ų | 41 | 60.6 Ų | 60.6 | 18% | 0.18 | 34% | 0.34 | C | S | . | . | trans | -120.9 | 108.5 | 174.1 | -59.6 | -75.6 | 0 | 0 | 0 | 107.8 | R372 P374 P393 A441 A448 T450 | F370-R372 PolarHBondContact O-N 2.83Å; F370-P374 HydrophobicContact CD1-CG 3.84Å; F370-P374 HydrophobicContact CE1-CG 4.07Å; F370-P393 HydrophobicContact CD1-CB 4.43Å; F370-P393 HydrophobicContact CE1-CB 3.76Å; F370-P393 HydrophobicContact CZ-CB 3.95Å; F370-A441 HydrophobicContact CZ-CB 4.05Å; F370-A448 HydrophobicContact CD2-CB 3.89Å; F370-A448 HydrophobicContact CE2-CB 3.76Å; F370-T450 HydrophobicContact CD2-CG2 4.35Å; F370-T450 HydrophobicContact CE1-CG2 4.2Å; F370-T450 HydrophobicContact CE2-CG2 4Å; F370-T450 HydrophobicContact CZ-CG2 3.91Å | ||
| 371 | S | 82.1 | Confident | 91.2 | Very high | 92 Ų | 92 | 58.6 Ų | 58.6 | 64% | 0.643 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -60.2 | -32.5 | 179 | 55.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 372 | R | 84.9 | Confident | 91 | Very high | 212 Ų | 212 | 63.5 Ų | 63.5 | 80% | 0.8 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -137.7 | 152.7 | 164.9 | -71.6 | -175.8 | -79.9 | -98.4 | 3 | 108.2 | F370 P374 | F370-R372 PolarHBondContact O-N 2.83Å; R372-P374 VanDerWaalsContact O-CD 3.22Å; R372-P374 WeakPolarHBondContact O-CD 3.29Å; R372-P374 VanDerWaalsContact O-N 3.14Å |
| 373 | S | 85.7 | Confident | 91 | Very high | 74 Ų | 74 | 61.8 Ų | 61.8 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | trans | -61 | 117.3 | 174.1 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | L375 T450 | S373-L375 PolarHBondContact O-N 2.89Å; S373-L375 PolarHBondContact OG-O 3.17Å; S373-T450 PolarHBondContact OG-OG1 3.42Å | ||
| 374 | P | 82.2 | Confident | 90.9 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 23% | 0.227 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -73.9 | -15.2 | -179.9 | 31.3 | -36.8 | 0 | 0 | 0 | 112.1 | F370 R372 E390 T450 | F370-P374 HydrophobicContact CD1-CG 3.84Å; F370-P374 HydrophobicContact CE1-CG 4.07Å; R372-P374 VanDerWaalsContact O-CD 3.22Å; R372-P374 WeakPolarHBondContact O-CD 3.29Å; R372-P374 VanDerWaalsContact O-N 3.14Å; P374-E390 HydrophobicContact CB-CB 4.2Å; P374-T450 HydrophobicContact CG-CG2 3.72Å |
| 375 | L | 89.8 | Confident | 90.9 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -95.7 | 132.8 | 176.8 | -66.4 | 176.5 | 0 | 0 | 0 | 110.3 | S373 L389 E390 W403 T450 | S373-L375 PolarHBondContact O-N 2.89Å; S373-L375 PolarHBondContact OG-O 3.17Å; L375-L389 HydrophobicContact CD2-CB 3.8Å; L375-L389 HydrophobicContact CD2-CD2 4.21Å; L375-E390 WeakPolarHBondContact CD2-O 3.33Å; L375-W403 HydrophobicContact CD1-CH2 3.86Å; L375-W403 HydrophobicContact CD1-CZ3 3.89Å; L375-W403 HydrophobicContact CD2-CH2 4.02Å; L375-W403 HydrophobicContact CG-CH2 4.41Å; L375-T450 HydrophobicContact CD1-CG2 4.13Å; L375-T450 HydrophobicContact CG-CG2 4.36Å |
| 376 | K | 85 | Confident | 91 | Very high | 146 Ų | 146 | 65.4 Ų | 65.4 | 64% | 0.635 | 37% | 0.37 | S | S | * | . | trans | -61.4 | 140.6 | 167 | -64.2 | -172.7 | -178.8 | -178.8 | 0 | 108.8 | L378 L379 G452 | K376-L378 PolarHBondContact O-N 2.66Å; K376-L379 HydrophobicContact CD-CD1 4.1Å; K376-G452 WeakPolarHBondContact O-CA 3.44Å | ||
| 377 | A | 87.6 | Confident | 91.1 | Very high | 90 Ų | 90 | 63.2 Ų | 63.2 | 74% | 0.744 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -55.6 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K453 | A377-K453 WeakPolarHBondContact O-CB 2.92Å; A377-K453 PolarHBondContact O-N 2.57Å |
| 378 | L | 91.1 | Very high | 91.2 | Very high | 82 Ų | 82 | 64.2 Ų | 64.2 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 116 | 170.5 | -175.8 | 65.2 | 0 | 0 | 0 | 109.4 | K376 K453 L455 | K376-L378 PolarHBondContact O-N 2.66Å; L378-K453 CarbonylContact C-O 3.52Å; L378-K453 WeakPolarHBondContact CA-O 3.29Å; L378-K453 HydrophobicContact CD1-CB 4.05Å; L378-K453 HydrophobicContact CD1-CD 4.16Å; L378-K453 HydrophobicContact CD1-CG 4.09Å; L378-L455 HydrophobicContact CD1-CB 3.95Å |
| 379 | L | 93.7 | Very high | 91.2 | Very high | 40 Ų | 40 | 64.2 Ų | 64.2 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.5 | 169.7 | -176.8 | 66.8 | 0 | 0 | 0 | 108.3 | K376 V387 L389 K453 L454 L455 | K376-L379 HydrophobicContact CD-CD1 4.1Å; L379-V387 HydrophobicContact CD2-CG1 3.7Å; L379-L389 HydrophobicContact CD2-CD2 3.45Å; L379-L389 VanDerWaalsContact CD2-CD2 3.45Å; L379-K453 PolarHBondContact N-O 2.91Å; L379-L454 HydrophobicContact CB-CD1 4.43Å; L379-L454 HydrophobicContact CD2-CD1 4.25Å; L379-L454 HydrophobicContact CG-CD1 4.32Å; L379-L454 WeakPolarHBondContact O-CA 3.24Å; L379-L455 PolarHBondContact O-N 3.5Å |
| 380 | K | 94.3 | Very high | 91.1 | Very high | 49 Ų | 49 | 65.6 Ų | 65.6 | 21% | 0.213 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 137.7 | 172 | -55 | -179.5 | -166 | 173.3 | 0 | 108.2 | L455 A488 L489 D490 D534 V535 | K380-L455 WeakPolarHBondContact CA-O 3.27Å; K380-A488 WeakPolarHBondContact CD-O 3.44Å; K380-A488 WeakPolarHBondContact CE-O 3.3Å; K380-A488 PolarHBondContact NZ-O 3.29Å; K380-L489 HydrophobicContact CD-CD2 4.09Å; K380-D490 IonicContact NZ-OD2 3.88Å; K380-D534 HydrophobicContact CD-CB 4.21Å; K380-D534 IonicContact NZ-OD2 2.7Å; K380-D534 PolarHBondContact NZ-OD2 3.14Å; K380-V535 HydrophobicContact CB-CG1 3.62Å; K380-V535 WeakPolarHBondContact O-CG1 3.4Å |
| 381 | A | 94.9 | Very high | 91.1 | Very high | 8 Ų | 8 | 63.6 Ų | 63.6 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V387 V429 L454 L455 I456 T457 | A381-V387 HydrophobicContact CB-CG2 3.3Å; A381-V429 HydrophobicContact CB-CG2 4.47Å; A381-L454 HydrophobicContact CB-CD1 3.96Å; A381-L455 PolarHBondContact N-O 2.95Å; A381-I456 HydrophobicContact CB-CD1 3.99Å; A381-I456 WeakPolarHBondContact O-CA 3.29Å; A381-T457 PolarHBondContact O-N 3.44Å; A381-T457 PolarHBondContact O-OG1 3.11Å |
| 382 | R | 94 | Very high | 91.6 | Very high | 103 Ų | 103 | 64.2 Ų | 64.2 | 39% | 0.389 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 137.2 | 177.5 | -177.8 | -167.9 | 163.9 | 163.5 | -7 | 110.4 | G384 S385 V429 P459 V535 E536 | R382-G384 PolarHBondContact O-N 2.62Å; R382-S385 VanDerWaalsContact O-CB 3.3Å; R382-S385 WeakPolarHBondContact O-CB 3.44Å; R382-S385 PolarHBondContact O-N 3.01Å; R382-S385 VanDerWaalsContact O-N 3.1Å; R382-S385 PolarHBondContact O-OG 2.95Å; R382-V429 WeakPolarHBondContact O-CG2 3.3Å; R382-P459 HydrophobicContact CG-CB 4.34Å; R382-V535 HydrophobicContact CB-CG2 4.27Å; R382-E536 VanDerWaalsContact CD-OE2 3.23Å; R382-E536 WeakPolarHBondContact CD-OE2 3.38Å; R382-E536 IonicContact CZ-OE2 3.8Å; R382-E536 VanDerWaalsContact CZ-OE2 3.28Å; R382-E536 IonicContact NE-OE2 3.15Å; R382-E536 PolarHBondContact NE-OE2 3.47Å; R382-E536 IonicContact NH1-OE2 3.92Å; R382-E536 PolarHBondContact NH1-OE2 3.21Å |
| 383 | S | 94.7 | Very high | 91.9 | Very high | 43 Ų | 43 | 55.3 Ų | 55.3 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 132.8 | 171 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | V429 T457 | S383-V429 CarbonylContact C-O 3.53Å; S383-V429 WeakPolarHBondContact CA-O 3.38Å; S383-V429 PolarHBondContact OG-O 2.75Å; S383-V429 VanDerWaalsContact OG-O 3.14Å; S383-T457 PolarHBondContact N-O 3.18Å |
| 384 | G | 93.4 | Very high | 92.3 | Very high | 41 Ų | 41 | 57.5 Ų | 57.5 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | -10.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | R382 N428 V429 | R382-G384 PolarHBondContact O-N 2.62Å; G384-N428 WeakPolarHBondContact CA-OD1 3.07Å; G384-V429 PolarHBondContact N-O 3.34Å |
| 385 | S | 94.5 | Very high | 92.7 | Very high | 36 Ų | 36 | 57 Ų | 57 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -80.4 | 167.7 | 179.2 | 68 | 0 | 0 | 0 | 0 | 113.4 | R382 N428 V429 | R382-S385 VanDerWaalsContact O-CB 3.3Å; R382-S385 WeakPolarHBondContact O-CB 3.44Å; R382-S385 PolarHBondContact O-N 3.01Å; R382-S385 VanDerWaalsContact O-N 3.1Å; R382-S385 PolarHBondContact O-OG 2.95Å; S385-N428 WeakPolarHBondContact O-CA 3.11Å; S385-N428 PolarHBondContact O-N 3.49Å; S385-N428 VanDerWaalsContact O-N 3.07Å; S385-V429 WeakPolarHBondContact O-CG2 3.3Å; S385-V429 PolarHBondContact O-N 3.49Å |
| 386 | E | 95.8 | Very high | 92.8 | Very high | 111 Ų | 111 | 56.7 Ų | 56.7 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | trans | -90.7 | 132.9 | 165.3 | 178.2 | 176.5 | 109.2 | 0 | 0 | 109.7 | K425 I426 | E386-K425 IonicContact OE1-NZ 3.97Å; E386-K425 PolarHBondContact OE1-NZ 2Å; E386-I426 CarbonylContact C-O 3.59Å; E386-I426 WeakPolarHBondContact CA-O 3.47Å | ||
| 387 | V | 95.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.3 | 176.7 | 174.9 | 0 | 0 | 0 | 0 | 109.8 | L379 A381 L389 K425 I426 V429 L454 | L379-V387 HydrophobicContact CD2-CG1 3.7Å; A381-V387 HydrophobicContact CB-CG2 3.3Å; V387-L389 HydrophobicContact CG1-CD2 3.87Å; V387-L389 HydrophobicContact CG1-CG 4.11Å; V387-K425 CarbonylContact O-C 3.55Å; V387-K425 WeakPolarHBondContact O-CA 3.42Å; V387-I426 PolarHBondContact N-O 3.19Å; V387-I426 PolarHBondContact O-N 3.22Å; V387-V429 HydrophobicContact CB-CG1 4.06Å; V387-V429 HydrophobicContact CG2-CB 4.46Å; V387-V429 HydrophobicContact CG2-CG1 3.65Å; V387-V429 HydrophobicContact CG2-CG2 4.09Å; V387-L454 HydrophobicContact CG1-CD1 3.97Å; V387-L454 HydrophobicContact CG1-CD2 4.28Å; V387-L454 HydrophobicContact CG2-CD1 4.26Å |
| 388 | T | 95.4 | Very high | 93.4 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 122.4 | 172.1 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | T423 L424 K425 | T388-T423 HydrophobicContact CG2-CG2 3.44Å; T388-T423 VanDerWaalsContact CG2-CG2 3.44Å; T388-L424 CarbonylContact C-O 3.5Å; T388-L424 WeakPolarHBondContact CA-O 3.27Å; T388-K425 HydrophobicContact CG2-CG 4.33Å |
| 389 | L | 95 | Very high | 93.5 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 107 | 176 | -59.3 | -178.5 | 0 | 0 | 0 | 108.7 | L375 L379 V387 W403 L424 I426 Y437 | L375-L389 HydrophobicContact CD2-CB 3.8Å; L375-L389 HydrophobicContact CD2-CD2 4.21Å; L379-L389 HydrophobicContact CD2-CD2 3.45Å; L379-L389 VanDerWaalsContact CD2-CD2 3.45Å; V387-L389 HydrophobicContact CG1-CD2 3.87Å; V387-L389 HydrophobicContact CG1-CG 4.11Å; L389-W403 HydrophobicContact CB-CH2 3.46Å; L389-W403 VanDerWaalsContact CB-CH2 3.46Å; L389-W403 HydrophobicContact CB-CZ2 4.16Å; L389-W403 HydrophobicContact CB-CZ3 3.92Å; L389-W403 HydrophobicContact CD1-CH2 4.46Å; L389-W403 HydrophobicContact CD1-CZ3 4.05Å; L389-W403 VanDerWaalsContact O-CZ2 3.32Å; L389-W403 WeakPolarHBondContact O-CZ2 3.29Å; L389-L424 HydrophobicContact CB-CB 4.31Å; L389-L424 HydrophobicContact CD1-CD2 4.21Å; L389-L424 PolarHBondContact N-O 3Å; L389-L424 PolarHBondContact O-N 2.93Å; L389-I426 HydrophobicContact CD1-CD1 4.41Å; L389-Y437 HydrophobicContact CD1-CD1 3.86Å; L389-Y437 HydrophobicContact CD1-CD2 3.99Å; L389-Y437 HydrophobicContact CD1-CE1 4.48Å; L389-Y437 HydrophobicContact CD1-CG 3.57Å |
| 390 | E | 92.9 | Very high | 93.4 | Very high | 85 Ų | 85 | 53.3 Ų | 53.3 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | trans | -69.1 | 134.3 | -177.2 | -64.3 | -153.5 | 129.6 | 0 | 0 | 112.2 | P374 L375 K392 | P374-E390 HydrophobicContact CB-CB 4.2Å; L375-E390 WeakPolarHBondContact CD2-O 3.33Å; E390-K392 IonicContact OE1-NZ 3.13Å; E390-K392 PolarHBondContact OE1-NZ 3.27Å | ||
| 391 | C | 91.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -145.6 | 105.8 | 166.5 | -177.6 | 0 | 0 | 0 | 0 | 108 | W403 N421 G422 T423 C439 | C391-W403 HydrophobicContact CB-CH2 4.21Å; C391-W403 HydrophobicContact CB-CZ2 3.44Å; C391-W403 VanDerWaalsContact CB-CZ2 3.44Å; C391-N421 CarbonylContact O-C 3.6Å; C391-G422 WeakPolarHBondContact CB-O 3.47Å; C391-G422 CarbonylContact O-C 3.54Å; C391-G422 VanDerWaalsContact O-C 3.28Å; C391-G422 WeakPolarHBondContact O-CA 3.47Å; C391-T423 PolarHBondContact O-N 2.94Å; C391-C439 HydrophobicContact CB-CB 3.54Å; C391-C439 WeakPolarHBondContact CB-SG 3.27Å; C391-C439 WeakPolarHBondContact SG-CB 3.3Å; C391-C439 CovalentContact SG-SG 2.01Å; C391-C439 PolarHBondContact SG-SG 2.93Å | ||
| 392 | K | 91.3 | Very high | 93.4 | Very high | 105 Ų | 105 | 54.9 Ų | 54.9 | 46% | 0.457 | 30% | 0.304 | S | S | . | . | trans | -132.9 | 77.3 | -176 | -67.9 | 170.8 | -178 | 159.6 | 0 | 108.6 | E390 | E390-K392 IonicContact OE1-NZ 3.13Å; E390-K392 PolarHBondContact OE1-NZ 3.27Å | ||
| 393 | P | 92.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | trans | -69 | 143 | -178.6 | 30.1 | -36.4 | 0 | 0 | 0 | 111.2 | P368 F370 A399 A441 | P368-P393 HydrophobicContact CB-CB 4.16Å; F370-P393 HydrophobicContact CD1-CB 4.43Å; F370-P393 HydrophobicContact CE1-CB 3.76Å; F370-P393 HydrophobicContact CZ-CB 3.95Å; P393-A399 HydrophobicContact CG-CB 4.07Å; P393-A441 HydrophobicContact CB-CB 3.52Å; P393-A441 HydrophobicContact CG-CB 3.54Å | ||
| 394 | Q | 92.3 | Very high | 93.5 | Very high | 119 Ų | 119 | 51.6 Ų | 51.6 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 113.2 | 166.9 | -66.5 | -177.9 | -19.3 | 0 | 0 | 108.3 | P368 S369 | P368-Q394 CarbonylContact C-O 3.54Å; P368-Q394 WeakPolarHBondContact CA-O 3.44Å; S369-Q394 PolarHBondContact N-O 2.8Å; S369-Q394 PolarHBondContact O-N 3.23Å; S369-Q394 PolarHBondContact OG-O 2.7Å |
| 395 | A | 92.1 | Very high | 93.6 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 149.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P368 P397 A399 | P368-A395 HydrophobicContact CB-CB 3.95Å; P368-A395 HydrophobicContact CG-CB 4.11Å; A395-P397 CarbonylContact C-O 3.49Å; A395-A399 HydrophobicContact CB-CB 3.76Å |
| 396 | S | 92.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 52.5 Ų | 52.5 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 116.9 | 170.1 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | S288 L364 A365 S366 | S288-S396 WeakPolarHBondContact CA-OG 3.27Å; S288-S396 VanDerWaalsContact CB-OG 3.31Å; S288-S396 WeakPolarHBondContact CB-OG 3.38Å; S288-S396 PolarHBondContact OG-OG 3.19Å; L364-S396 VanDerWaalsContact C-OG 3.31Å; L364-S396 WeakPolarHBondContact CB-OG 3.24Å; L364-S396 PolarHBondContact O-OG 3.42Å; A365-S396 CarbonylContact C-O 3.44Å; A365-S396 WeakPolarHBondContact CA-O 3.17Å; S366-S396 PolarHBondContact N-O 3.24Å; S366-S396 PolarHBondContact O-N 3.37Å; S366-S396 VanDerWaalsContact O-O 3.11Å; S366-S396 PolarHBondContact OG-N 2.65Å; S366-S396 VanDerWaalsContact OG-N 3.13Å |
| 397 | P | 92.4 | Very high | 93.2 | Very high | 29 Ų | 29 | 54.6 Ų | 54.6 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | S | Bend | cis | -59.6 | 163.4 | -4.6 | -22.2 | 30.9 | 0 | 0 | 0 | 114.2 | S288 I289 A395 A399 N443 | S288-P397 WeakPolarHBondContact OG-CA 3.27Å; I289-P397 HydrophobicContact CG2-CG 4.01Å; A395-P397 CarbonylContact C-O 3.49Å; P397-A399 PolarHBondContact O-N 2.73Å; P397-N443 PolarHBondContact O-ND2 2.73Å |
| 398 | P | 91.5 | Very high | 93.2 | Very high | 100 Ų | 100 | 61.5 Ų | 61.5 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 129.5 | 174.8 | -27.7 | 35.3 | 0 | 0 | 0 | 111.8 | ||
| 399 | A | 92.8 | Very high | 93 | Very high | 20 Ų | 20 | 63.2 Ų | 63.2 | 17% | 0.165 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 142 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | P368 P393 A395 P397 A441 K442 N443 | P368-A399 HydrophobicContact CB-CB 3.88Å; P368-A399 HydrophobicContact CG-CB 3.63Å; P393-A399 HydrophobicContact CG-CB 4.07Å; A395-A399 HydrophobicContact CB-CB 3.76Å; P397-A399 PolarHBondContact O-N 2.73Å; A399-A441 HydrophobicContact CB-CB 4.05Å; A399-K442 CarbonylContact C-O 3.38Å; A399-K442 WeakPolarHBondContact CA-O 3.06Å; A399-N443 HydrophobicContact CB-CB 4.34Å |
| 400 | I | 92.6 | Very high | 92.9 | Very high | 138 Ų | 138 | 64.3 Ų | 64.3 | 71% | 0.708 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 131.8 | 168.9 | -60.6 | 172.4 | 0 | 0 | 0 | 108 | A441 K442 | I400-A441 WeakPolarHBondContact O-CA 3.32Å; I400-K442 PolarHBondContact N-O 3.37Å; I400-K442 PolarHBondContact O-N 3.5Å |
| 401 | S | 93.9 | Very high | 92.7 | Very high | 15 Ų | 15 | 66.7 Ų | 66.7 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128.7 | 180 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | G422 I440 | S401-G422 WeakPolarHBondContact OG-CA 3.3Å; S401-I440 WeakPolarHBondContact CA-O 3.07Å |
| 402 | L | 94.3 | Very high | 92.6 | Very high | 75 Ų | 75 | 75.3 Ų | 75.3 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137.2 | 174 | -178 | 74.9 | 0 | 0 | 0 | 109 | I409 I440 | L402-I409 HydrophobicContact CD1-CG2 3.77Å; L402-I409 HydrophobicContact CD2-CD1 4.28Å; L402-I409 HydrophobicContact CD2-CG1 4.36Å; L402-I409 HydrophobicContact CG-CG2 4.43Å; L402-I440 HydrophobicContact CB-CB 4.45Å; L402-I440 PolarHBondContact N-O 2.8Å; L402-I440 PolarHBondContact O-N 3.03Å |
| 403 | W | 96 | Very high | 92.6 | Very high | 7 Ų | 7 | 74 Ų | 74 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.2 | 177 | -78.4 | 83.3 | 0 | 0 | 0 | 111.9 | L375 L389 C391 L410 L418 G422 L424 Y437 T438 C439 | L375-W403 HydrophobicContact CD1-CH2 3.86Å; L375-W403 HydrophobicContact CD1-CZ3 3.89Å; L375-W403 HydrophobicContact CD2-CH2 4.02Å; L375-W403 HydrophobicContact CG-CH2 4.41Å; L389-W403 HydrophobicContact CB-CH2 3.46Å; L389-W403 VanDerWaalsContact CB-CH2 3.46Å; L389-W403 HydrophobicContact CB-CZ2 4.16Å; L389-W403 HydrophobicContact CB-CZ3 3.92Å; L389-W403 HydrophobicContact CD1-CH2 4.46Å; L389-W403 HydrophobicContact CD1-CZ3 4.05Å; L389-W403 VanDerWaalsContact O-CZ2 3.32Å; L389-W403 WeakPolarHBondContact O-CZ2 3.29Å; C391-W403 HydrophobicContact CB-CH2 4.21Å; C391-W403 HydrophobicContact CB-CZ2 3.44Å; C391-W403 VanDerWaalsContact CB-CZ2 3.44Å; W403-L410 HydrophobicContact CB-CB 4.08Å; W403-L410 HydrophobicContact CB-CD2 4.23Å; W403-L410 WeakPolarHBondContact O-CB 3.38Å; W403-L410 PolarHBondContact O-N 3.14Å; W403-L418 HydrophobicContact CG-CD1 4.48Å; W403-G422 PolarHBondContact NE1-O 2.81Å; W403-L424 HydrophobicContact CB-CD2 4.32Å; W403-L424 HydrophobicContact CD2-CB 3.84Å; W403-L424 HydrophobicContact CD2-CD2 3.71Å; W403-L424 HydrophobicContact CD2-CG 4.31Å; W403-L424 VanDerWaalsContact CE2-CB 3.45Å; W403-L424 HydrophobicContact CE3-CB 4.41Å; W403-L424 HydrophobicContact CE3-CD2 3.77Å; W403-L424 HydrophobicContact CG-CB 4.22Å; W403-L424 HydrophobicContact CG-CD1 4.39Å; W403-L424 HydrophobicContact CG-CD2 3.97Å; W403-L424 HydrophobicContact CG-CG 4.45Å; W403-L424 HydrophobicContact CH2-CB 4.27Å; W403-L424 HydrophobicContact CZ2-CB 3.66Å; W403-L424 HydrophobicContact CZ3-CD2 4.34Å; W403-Y437 HydrophobicContact CE3-CD1 4.47Å; W403-T438 CarbonylContact C-O 3.48Å; W403-T438 WeakPolarHBondContact CA-O 3.35Å; W403-C439 HydrophobicContact CD2-CB 4.02Å; W403-C439 HydrophobicContact CE3-CB 4.14Å; W403-C439 HydrophobicContact CH2-CB 3.79Å; W403-C439 HydrophobicContact CZ2-CB 3.68Å; W403-C439 HydrophobicContact CZ3-CB 4.01Å |
| 404 | K | 96.4 | Very high | 92.5 | Very high | 69 Ų | 69 | 82.5 Ų | 82.5 | 30% | 0.3 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.1 | 167.9 | -66.2 | -171 | 176 | -171.5 | 0 | 111.1 | E408 I409 Y437 T438 I440 | K404-E408 CarbonylContact C-O 3.57Å; K404-E408 WeakPolarHBondContact CA-O 3.45Å; K404-E408 VanDerWaalsContact CB-O 3.29Å; K404-E408 WeakPolarHBondContact CB-O 3.24Å; K404-I409 HydrophobicContact CG-CG1 4.47Å; K404-Y437 VanDerWaalsContact O-CA 3.31Å; K404-Y437 WeakPolarHBondContact O-CA 3.12Å; K404-T438 PolarHBondContact N-O 2.94Å; K404-T438 PolarHBondContact O-N 3.05Å; K404-I440 HydrophobicContact CD-CD1 3.9Å; K404-I440 HydrophobicContact CG-CD1 4.14Å |
| 405 | K | 95.2 | Very high | 92.6 | Very high | 62 Ų | 62 | 80 Ų | 80 | 27% | 0.27 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 113.9 | 167.9 | -179.7 | -172.9 | -179.9 | -173.9 | 0 | 107.6 | N407 E408 L410 Q432 D433 A435 Y437 | K405-N407 PolarHBondContact O-N 3.23Å; K405-E408 PolarHBondContact N-O 3.36Å; K405-E408 PolarHBondContact O-N 3.01Å; K405-L410 HydrophobicContact CB-CD1 3.94Å; K405-L410 HydrophobicContact CD-CD1 4.29Å; K405-Q432 WeakPolarHBondContact CE-O 3.47Å; K405-Q432 PolarHBondContact NZ-O 2.79Å; K405-D433 IonicContact NZ-OD1 2.66Å; K405-A435 HydrophobicContact CD-CB 4.27Å; K405-A435 HydrophobicContact CG-CB 3.52Å; K405-Y437 HydrophobicContact CB-CD1 4.27Å; K405-Y437 HydrophobicContact CB-CE1 3.94Å; K405-Y437 HydrophobicContact CD-CE1 4.28Å; K405-Y437 HydrophobicContact CG-CE1 3.96Å; K405-Y437 HydrophobicContact CG-CE2 4.31Å |
| 406 | G | 92.3 | Very high | 92.7 | Very high | 34 Ų | 34 | 79.5 Ų | 79.5 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -121.1 | -162.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | S436 | G406-S436 PolarHBondContact N-O 2.91Š|
| 407 | N | 89.4 | Confident | 92.8 | Very high | 155 Ų | 155 | 82.7 Ų | 82.7 | 83% | 0.829 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -6.1 | 178.2 | -72.9 | -13.3 | 0 | 0 | 0 | 114 | K405 | K405-N407 PolarHBondContact O-N 3.23Š|
| 408 | E | 93.9 | Very high | 92.7 | Very high | 153 Ų | 153 | 83 Ų | 83 | 72% | 0.715 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 146.1 | -174 | -63.6 | -175.7 | 172.9 | 0 | 0 | 112 | K404 K405 L410 | K404-E408 CarbonylContact C-O 3.57Å; K404-E408 WeakPolarHBondContact CA-O 3.45Å; K404-E408 VanDerWaalsContact CB-O 3.29Å; K404-E408 WeakPolarHBondContact CB-O 3.24Å; K405-E408 PolarHBondContact N-O 3.36Å; K405-E408 PolarHBondContact O-N 3.01Å; E408-L410 PolarHBondContact O-N 2.83Å |
| 409 | I | 93.1 | Very high | 92.7 | Very high | 97 Ų | 97 | 81.1 Ų | 81.1 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128.7 | 174.9 | -64.7 | 174.5 | 0 | 0 | 0 | 109 | L402 K404 L411 | L402-I409 HydrophobicContact CD1-CG2 3.77Å; L402-I409 HydrophobicContact CD2-CD1 4.28Å; L402-I409 HydrophobicContact CD2-CG1 4.36Å; L402-I409 HydrophobicContact CG-CG2 4.43Å; K404-I409 HydrophobicContact CG-CG1 4.47Å; I409-L411 PolarHBondContact O-N 2.77Å |
| 410 | L | 92.8 | Very high | 92.4 | Very high | 32 Ų | 32 | 87 Ų | 87 | 17% | 0.168 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 119.1 | 179.8 | -168.4 | 72.6 | 0 | 0 | 0 | 110.3 | W403 K405 E408 I416 L424 Y437 | W403-L410 HydrophobicContact CB-CB 4.08Å; W403-L410 HydrophobicContact CB-CD2 4.23Å; W403-L410 WeakPolarHBondContact O-CB 3.38Å; W403-L410 PolarHBondContact O-N 3.14Å; K405-L410 HydrophobicContact CB-CD1 3.94Å; K405-L410 HydrophobicContact CD-CD1 4.29Å; E408-L410 PolarHBondContact O-N 2.83Å; L410-I416 HydrophobicContact CD1-CD1 3.9Å; L410-I416 HydrophobicContact CD2-CD1 4.34Å; L410-I416 HydrophobicContact CD2-CG2 3.82Å; L410-I416 HydrophobicContact CG-CD1 4.23Å; L410-I416 HydrophobicContact CG-CG2 4.28Å; L410-L424 HydrophobicContact CD2-CD1 3.92Å; L410-L424 HydrophobicContact CD2-CD2 3.39Å; L410-L424 HydrophobicContact CD2-CG 4.28Å; L410-Y437 HydrophobicContact CD1-CE1 4.45Å; L410-Y437 HydrophobicContact CD2-CD1 4.37Å; L410-Y437 HydrophobicContact CD2-CE1 4.01Å |
| 411 | L | 88.6 | Confident | 92.1 | Very high | 134 Ų | 134 | 84 Ų | 84 | 70% | 0.702 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 146.5 | 176 | -60.7 | 175.8 | 0 | 0 | 0 | 111 | I409 | I409-L411 PolarHBondContact O-N 2.77Š|
| 412 | R | 88.9 | Confident | 91.9 | Very high | 182 Ų | 182 | 83.4 Ų | 83.4 | 69% | 0.687 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 140.1 | 173.9 | -65.1 | -178.8 | -176.6 | 161.1 | 0.5 | 109.8 | ||
| 413 | T | 91.3 | Very high | 91.9 | Very high | 78 Ų | 78 | 80.1 Ų | 80.1 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -141.2 | 176.2 | 176.3 | 63.6 | 0 | 0 | 0 | 0 | 108.6 | R415 I416 | T413-R415 PolarHBondContact O-N 2.7Å; T413-R415 VanDerWaalsContact O-N 3.15Å; T413-R415 PolarHBondContact OG1-N 2.74Å; T413-I416 PolarHBondContact N-O 2.91Å; T413-I416 CarbonylContact O-C 3.58Å; T413-I416 PolarHBondContact O-N 2.93Å; T413-I416 VanDerWaalsContact O-N 3.11Å; T413-I416 WeakPolarHBondContact OG1-CB 3.5Å; T413-I416 WeakPolarHBondContact OG1-CG1 3.24Å; T413-I416 PolarHBondContact OG1-N 2.62Å |
| 414 | E | 90.2 | Very high | 91.9 | Very high | 203 Ų | 203 | 80 Ų | 80 | 95% | 0.949 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.6 | 173.2 | -64.9 | -174.4 | 169.8 | 0 | 0 | 112.6 | ||
| 415 | R | 94.6 | Very high | 91.9 | Very high | 66 Ų | 66 | 79.8 Ų | 79.8 | 25% | 0.249 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -16.5 | -178.5 | -152.5 | 176.7 | 63 | 93.8 | 0.3 | 113.3 | T413 I426 A427 N428 D433 | T413-R415 PolarHBondContact O-N 2.7Å; T413-R415 VanDerWaalsContact O-N 3.15Å; T413-R415 PolarHBondContact OG1-N 2.74Å; R415-I426 CarbonylContact O-C 3.5Å; R415-I426 WeakPolarHBondContact O-CA 3.07Å; R415-A427 WeakPolarHBondContact CD-O 3.37Å; R415-A427 HydrophobicContact CG-CB 3.92Å; R415-A427 WeakPolarHBondContact CG-O 3.49Å; R415-A427 PolarHBondContact NH1-O 2.77Å; R415-A427 PolarHBondContact O-N 3.07Å; R415-N428 PolarHBondContact NH1-O 2.87Å; R415-D433 IonicContact CZ-OD1 3.42Å; R415-D433 IonicContact CZ-OD2 2.59Å; R415-D433 VanDerWaalsContact CZ-OD2 3.24Å; R415-D433 IonicContact NH1-OD2 3.28Å; R415-D433 PolarHBondContact NH1-OD2 2.84Å; R415-D433 IonicContact NH2-OD1 2.83Å; R415-D433 PolarHBondContact NH2-OD1 2.84Å; R415-D433 IonicContact NH2-OD2 2.74Å; R415-D433 PolarHBondContact NH2-OD2 2.85Å |
| 416 | I | 94.2 | Very high | 91.9 | Very high | 16 Ų | 16 | 76.8 Ų | 76.8 | 8% | 0.082 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 106.1 | -174.8 | -59.4 | -179.3 | 0 | 0 | 0 | 110 | L410 T413 L424 K425 I426 | L410-I416 HydrophobicContact CD1-CD1 3.9Å; L410-I416 HydrophobicContact CD2-CD1 4.34Å; L410-I416 HydrophobicContact CD2-CG2 3.82Å; L410-I416 HydrophobicContact CG-CD1 4.23Å; L410-I416 HydrophobicContact CG-CG2 4.28Å; T413-I416 PolarHBondContact N-O 2.91Å; T413-I416 CarbonylContact O-C 3.58Å; T413-I416 PolarHBondContact O-N 2.93Å; T413-I416 VanDerWaalsContact O-N 3.11Å; T413-I416 WeakPolarHBondContact OG1-CB 3.5Å; T413-I416 WeakPolarHBondContact OG1-CG1 3.24Å; T413-I416 PolarHBondContact OG1-N 2.62Å; I416-L424 HydrophobicContact CG2-CD1 3.53Å; I416-L424 HydrophobicContact CG2-CG 4.48Å; I416-K425 CarbonylContact C-O 3.53Å; I416-K425 WeakPolarHBondContact CA-O 3.35Å; I416-I426 HydrophobicContact CG1-CG2 4.32Å |
| 417 | T | 93.7 | Very high | 92.1 | Very high | 71 Ų | 71 | 76.7 Ų | 76.7 | 44% | 0.436 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.3 | -176.2 | -46.2 | 0 | 0 | 0 | 0 | 111.3 | K425 | T417-K425 PolarHBondContact N-O 2.91Å; T417-K425 PolarHBondContact O-N 2.97Å |
| 418 | L | 92 | Very high | 92.4 | Very high | 36 Ų | 36 | 74.1 Ų | 74.1 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.1 | 173 | -167.8 | 72.3 | 0 | 0 | 0 | 110.3 | W403 G422 L424 | W403-L418 HydrophobicContact CG-CD1 4.48Å; L418-G422 WeakPolarHBondContact CD1-O 3.4Å; L418-L424 HydrophobicContact CD1-CB 4.41Å; L418-L424 HydrophobicContact CD1-CD1 4.29Å |
| 419 | L | 91.3 | Very high | 92.5 | Very high | 61 Ų | 61 | 66.9 Ų | 66.9 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | trans | -80.3 | 154.9 | 175.5 | -59.8 | -177.5 | 0 | 0 | 0 | 111.3 | N421 G422 T423 | L419-N421 WeakPolarHBondContact CB-OD1 3.35Å; L419-N421 PolarHBondContact O-N 2.88Å; L419-N421 VanDerWaalsContact O-N 3.13Å; L419-G422 PolarHBondContact O-N 2.91Å; L419-T423 HydrophobicContact CD1-CG2 4.21Å; L419-T423 PolarHBondContact N-O 3Å | ||
| 420 | P | 86.5 | Confident | 92.5 | Very high | 143 Ų | 143 | 64.8 Ų | 64.8 | 93% | 0.929 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.8 | -179.9 | -26.6 | 34.9 | 0 | 0 | 0 | 114.5 | G422 | P420-G422 PolarHBondContact O-N 3.14Š|
| 421 | N | 86.5 | Confident | 92.5 | Very high | 75 Ų | 75 | 69.2 Ų | 69.2 | 40% | 0.401 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -3.2 | 177.3 | 68.7 | 2.2 | 0 | 0 | 0 | 113.9 | C391 L419 T423 | C391-N421 CarbonylContact O-C 3.6Å; L419-N421 WeakPolarHBondContact CB-OD1 3.35Å; L419-N421 PolarHBondContact O-N 2.88Å; L419-N421 VanDerWaalsContact O-N 3.13Å; N421-T423 WeakPolarHBondContact OD1-CB 3.22Å; N421-T423 PolarHBondContact OD1-N 2.78Å; N421-T423 PolarHBondContact OD1-OG1 2.9Å |
| 422 | G | 89.7 | Confident | 92.7 | Very high | 3 Ų | 3 | 70.7 Ų | 70.7 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | S | Bend | trans | 99.4 | -8.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | C391 S401 W403 L418 L419 P420 | C391-G422 WeakPolarHBondContact CB-O 3.47Å; C391-G422 CarbonylContact O-C 3.54Å; C391-G422 VanDerWaalsContact O-C 3.28Å; C391-G422 WeakPolarHBondContact O-CA 3.47Å; S401-G422 WeakPolarHBondContact OG-CA 3.3Å; W403-G422 PolarHBondContact NE1-O 2.81Å; L418-G422 WeakPolarHBondContact CD1-O 3.4Å; L419-G422 PolarHBondContact O-N 2.91Å; P420-G422 PolarHBondContact O-N 3.14Å |
| 423 | T | 93.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | trans | -70.8 | 135 | -177.3 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | T388 C391 L419 N421 | T388-T423 HydrophobicContact CG2-CG2 3.44Å; T388-T423 VanDerWaalsContact CG2-CG2 3.44Å; C391-T423 PolarHBondContact O-N 2.94Å; L419-T423 HydrophobicContact CD1-CG2 4.21Å; L419-T423 PolarHBondContact N-O 3Å; N421-T423 WeakPolarHBondContact OD1-CB 3.22Å; N421-T423 PolarHBondContact OD1-N 2.78Å; N421-T423 PolarHBondContact OD1-OG1 2.9Å | ||
| 424 | L | 95.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 133.2 | 179.8 | -177.9 | 71.8 | 0 | 0 | 0 | 110.7 | T388 L389 W403 L410 I416 L418 I426 Y437 | T388-L424 CarbonylContact C-O 3.5Å; T388-L424 WeakPolarHBondContact CA-O 3.27Å; L389-L424 HydrophobicContact CB-CB 4.31Å; L389-L424 HydrophobicContact CD1-CD2 4.21Å; L389-L424 PolarHBondContact N-O 3Å; L389-L424 PolarHBondContact O-N 2.93Å; W403-L424 HydrophobicContact CB-CD2 4.32Å; W403-L424 HydrophobicContact CD2-CB 3.84Å; W403-L424 HydrophobicContact CD2-CD2 3.71Å; W403-L424 HydrophobicContact CD2-CG 4.31Å; W403-L424 VanDerWaalsContact CE2-CB 3.45Å; W403-L424 HydrophobicContact CE3-CB 4.41Å; W403-L424 HydrophobicContact CE3-CD2 3.77Å; W403-L424 HydrophobicContact CG-CB 4.22Å; W403-L424 HydrophobicContact CG-CD1 4.39Å; W403-L424 HydrophobicContact CG-CD2 3.97Å; W403-L424 HydrophobicContact CG-CG 4.45Å; W403-L424 HydrophobicContact CH2-CB 4.27Å; W403-L424 HydrophobicContact CZ2-CB 3.66Å; W403-L424 HydrophobicContact CZ3-CD2 4.34Å; L410-L424 HydrophobicContact CD2-CD1 3.92Å; L410-L424 HydrophobicContact CD2-CD2 3.39Å; L410-L424 HydrophobicContact CD2-CG 4.28Å; I416-L424 HydrophobicContact CG2-CD1 3.53Å; I416-L424 HydrophobicContact CG2-CG 4.48Å; L418-L424 HydrophobicContact CD1-CB 4.41Å; L418-L424 HydrophobicContact CD1-CD1 4.29Å; L424-I426 HydrophobicContact CD2-CD1 4.19Å; L424-I426 HydrophobicContact CD2-CG1 4.27Å; L424-I426 HydrophobicContact CG-CG1 4.26Å; L424-Y437 HydrophobicContact CD2-CD1 4.09Å; L424-Y437 HydrophobicContact CD2-CE1 4.33Å |
| 425 | K | 96.2 | Very high | 93.4 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.4 | 171.2 | -72.1 | -172.5 | 158.2 | -136.7 | 0 | 110.4 | E386 V387 T388 I416 T417 | E386-K425 IonicContact OE1-NZ 3.97Å; E386-K425 PolarHBondContact OE1-NZ 2Å; V387-K425 CarbonylContact O-C 3.55Å; V387-K425 WeakPolarHBondContact O-CA 3.42Å; T388-K425 HydrophobicContact CG2-CG 4.33Å; I416-K425 CarbonylContact C-O 3.53Å; I416-K425 WeakPolarHBondContact CA-O 3.35Å; T417-K425 PolarHBondContact N-O 2.91Å; T417-K425 PolarHBondContact O-N 2.97Å |
| 426 | I | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 108.6 | 176.7 | -49.9 | 175.1 | 0 | 0 | 0 | 107.5 | E386 V387 L389 R415 I416 L424 V429 Y437 | E386-I426 CarbonylContact C-O 3.59Å; E386-I426 WeakPolarHBondContact CA-O 3.47Å; V387-I426 PolarHBondContact N-O 3.19Å; V387-I426 PolarHBondContact O-N 3.22Å; L389-I426 HydrophobicContact CD1-CD1 4.41Å; R415-I426 CarbonylContact O-C 3.5Å; R415-I426 WeakPolarHBondContact O-CA 3.07Å; I416-I426 HydrophobicContact CG1-CG2 4.32Å; L424-I426 HydrophobicContact CD2-CD1 4.19Å; L424-I426 HydrophobicContact CD2-CG1 4.27Å; L424-I426 HydrophobicContact CG-CG1 4.26Å; I426-V429 HydrophobicContact CB-CG1 4.13Å; I426-V429 HydrophobicContact CG2-CG1 3.79Å; I426-Y437 HydrophobicContact CD1-CE1 3.72Å |
| 427 | A | 96.4 | Very high | 93.6 | Very high | 32 Ų | 32 | 51 Ų | 51 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | trans | -78.7 | 156.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R415 V429 | R415-A427 WeakPolarHBondContact CD-O 3.37Å; R415-A427 HydrophobicContact CG-CB 3.92Å; R415-A427 WeakPolarHBondContact CG-O 3.49Å; R415-A427 PolarHBondContact NH1-O 2.77Å; R415-A427 PolarHBondContact O-N 3.07Å; A427-V429 PolarHBondContact O-N 2.89Å | ||
| 428 | N | 94.6 | Very high | 93.7 | Very high | 101 Ų | 101 | 48.7 Ų | 48.7 | 54% | 0.54 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 44.3 | 59.9 | 171 | -168.1 | 15.4 | 0 | 0 | 0 | 114.7 | G384 S385 R415 | G384-N428 WeakPolarHBondContact CA-OD1 3.07Å; S385-N428 WeakPolarHBondContact O-CA 3.11Å; S385-N428 PolarHBondContact O-N 3.49Å; S385-N428 VanDerWaalsContact O-N 3.07Å; R415-N428 PolarHBondContact NH1-O 2.87Å |
| 429 | V | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -67 | 140.8 | -172.3 | -64.1 | 0 | 0 | 0 | 0 | 114.3 | A381 R382 S383 G384 S385 V387 I426 A427 D433 I456 | A381-V429 HydrophobicContact CB-CG2 4.47Å; R382-V429 WeakPolarHBondContact O-CG2 3.3Å; S383-V429 CarbonylContact C-O 3.53Å; S383-V429 WeakPolarHBondContact CA-O 3.38Å; S383-V429 PolarHBondContact OG-O 2.75Å; S383-V429 VanDerWaalsContact OG-O 3.14Å; G384-V429 PolarHBondContact N-O 3.34Å; S385-V429 WeakPolarHBondContact O-CG2 3.3Å; S385-V429 PolarHBondContact O-N 3.49Å; V387-V429 HydrophobicContact CB-CG1 4.06Å; V387-V429 HydrophobicContact CG2-CB 4.46Å; V387-V429 HydrophobicContact CG2-CG1 3.65Å; V387-V429 HydrophobicContact CG2-CG2 4.09Å; I426-V429 HydrophobicContact CB-CG1 4.13Å; I426-V429 HydrophobicContact CG2-CG1 3.79Å; A427-V429 PolarHBondContact O-N 2.89Å; V429-D433 WeakPolarHBondContact CA-OD2 3.25Å; V429-I456 HydrophobicContact CB-CD1 3.87Å; V429-I456 HydrophobicContact CG2-CD1 3.7Å | ||
| 430 | T | 94.6 | Very high | 94.1 | Very high | 53 Ų | 53 | 45.7 Ų | 45.7 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | trans | -119.6 | 165.2 | 179.6 | 69.9 | 0 | 0 | 0 | 0 | 111 | Q432 D433 I456 | T430-Q432 PolarHBondContact O-N 2.93Å; T430-Q432 PolarHBondContact OG1-N 2.87Å; T430-D433 PolarHBondContact N-OD2 2.81Å; T430-D433 VanDerWaalsContact O-CB 3.31Å; T430-D433 WeakPolarHBondContact O-CB 3.22Å; T430-D433 PolarHBondContact O-N 2.98Å; T430-D433 PolarHBondContact OG1-OD2 2.75Å; T430-I456 WeakPolarHBondContact O-CG1 3.39Å | ||
| 431 | K | 92.1 | Very high | 94.5 | Very high | 126 Ų | 126 | 38.9 Ų | 38.9 | 55% | 0.548 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -53.8 | -28.1 | 176.2 | -69 | -171.1 | 178.1 | -175.7 | 0 | 113.5 | D433 A434 E458 | K431-D433 PolarHBondContact O-N 2.91Å; K431-A434 WeakPolarHBondContact O-CB 3.39Å; K431-A434 PolarHBondContact O-N 2.89Å; K431-E458 WeakPolarHBondContact CE-OE1 3.22Å; K431-E458 IonicContact NZ-OE1 3.94Å; K431-E458 PolarHBondContact NZ-OE1 3.2Å |
| 432 | Q | 92 | Very high | 94.9 | Very high | 165 Ų | 165 | 41.6 Ų | 41.6 | 77% | 0.771 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -69.7 | -19 | 176.9 | -63.5 | -179.9 | -2.8 | 0 | 0 | 113.2 | K405 T430 A434 | K405-Q432 WeakPolarHBondContact CE-O 3.47Å; K405-Q432 PolarHBondContact NZ-O 2.79Å; T430-Q432 PolarHBondContact O-N 2.93Å; T430-Q432 PolarHBondContact OG1-N 2.87Å; Q432-A434 VanDerWaalsContact C-N 3.29Å |
| 433 | D | 94.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -78.9 | -12.9 | 175.7 | -61.8 | -44.9 | 0 | 0 | 0 | 112.7 | K405 R415 V429 T430 K431 A435 Y437 I456 | K405-D433 IonicContact NZ-OD1 2.66Å; R415-D433 IonicContact CZ-OD1 3.42Å; R415-D433 IonicContact CZ-OD2 2.59Å; R415-D433 VanDerWaalsContact CZ-OD2 3.24Å; R415-D433 IonicContact NH1-OD2 3.28Å; R415-D433 PolarHBondContact NH1-OD2 2.84Å; R415-D433 IonicContact NH2-OD1 2.83Å; R415-D433 PolarHBondContact NH2-OD1 2.84Å; R415-D433 IonicContact NH2-OD2 2.74Å; R415-D433 PolarHBondContact NH2-OD2 2.85Å; V429-D433 WeakPolarHBondContact CA-OD2 3.25Å; T430-D433 PolarHBondContact N-OD2 2.81Å; T430-D433 VanDerWaalsContact O-CB 3.31Å; T430-D433 WeakPolarHBondContact O-CB 3.22Å; T430-D433 PolarHBondContact O-N 2.98Å; T430-D433 PolarHBondContact OG1-OD2 2.75Å; K431-D433 PolarHBondContact O-N 2.91Å; D433-A435 PolarHBondContact O-N 3.05Å; D433-A435 VanDerWaalsContact O-N 3.09Å; D433-Y437 VanDerWaalsContact O-CE2 3.28Å; D433-Y437 WeakPolarHBondContact O-CE2 3.32Å; D433-Y437 PolarHBondContact O-OH 2.88Å; D433-Y437 VanDerWaalsContact O-OH 3.04Å; D433-I456 HydrophobicContact CB-CG1 4.48Å |
| 434 | A | 95.4 | Very high | 95.1 | Very high | 45 Ų | 45 | 47 Ų | 47 | 37% | 0.372 | 25% | 0.248 | S | C | . | . | trans | -63.5 | 113.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | K431 Q432 L454 I456 | K431-A434 WeakPolarHBondContact O-CB 3.39Å; K431-A434 PolarHBondContact O-N 2.89Å; Q432-A434 VanDerWaalsContact C-N 3.29Å; A434-L454 WeakPolarHBondContact CA-O 3.37Å; A434-I456 HydrophobicContact CB-CB 4.45Å; A434-I456 HydrophobicContact CB-CG1 4.15Å | ||
| 435 | A | 95.9 | Very high | 94.9 | Very high | 21 Ų | 21 | 51 Ų | 51 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 169.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | K405 D433 Y437 L454 | K405-A435 HydrophobicContact CD-CB 4.27Å; K405-A435 HydrophobicContact CG-CB 3.52Å; D433-A435 PolarHBondContact O-N 3.05Å; D433-A435 VanDerWaalsContact O-N 3.09Å; A435-Y437 HydrophobicContact CB-CD2 4.36Å; A435-Y437 HydrophobicContact CB-CE2 3.93Å; A435-Y437 WeakPolarHBondContact O-CD2 3.39Å; A435-L454 PolarHBondContact N-O 3.23Å; A435-L454 PolarHBondContact O-N 3.18Å |
| 436 | S | 96.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 49 Ų | 49 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.9 | 162 | -62.1 | 0 | 0 | 0 | 0 | 109.2 | G406 | G406-S436 PolarHBondContact N-O 2.91Å |
| 437 | Y | 96.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130.2 | 175.8 | -74.4 | -99.6 | 0 | 0 | 0 | 109.8 | L389 W403 K404 K405 L410 L424 I426 D433 A435 T451 G452 L454 | L389-Y437 HydrophobicContact CD1-CD1 3.86Å; L389-Y437 HydrophobicContact CD1-CD2 3.99Å; L389-Y437 HydrophobicContact CD1-CE1 4.48Å; L389-Y437 HydrophobicContact CD1-CG 3.57Å; W403-Y437 HydrophobicContact CE3-CD1 4.47Å; K404-Y437 VanDerWaalsContact O-CA 3.31Å; K404-Y437 WeakPolarHBondContact O-CA 3.12Å; K405-Y437 HydrophobicContact CB-CD1 4.27Å; K405-Y437 HydrophobicContact CB-CE1 3.94Å; K405-Y437 HydrophobicContact CD-CE1 4.28Å; K405-Y437 HydrophobicContact CG-CE1 3.96Å; K405-Y437 HydrophobicContact CG-CE2 4.31Å; L410-Y437 HydrophobicContact CD1-CE1 4.45Å; L410-Y437 HydrophobicContact CD2-CD1 4.37Å; L410-Y437 HydrophobicContact CD2-CE1 4.01Å; L424-Y437 HydrophobicContact CD2-CD1 4.09Å; L424-Y437 HydrophobicContact CD2-CE1 4.33Å; I426-Y437 HydrophobicContact CD1-CE1 3.72Å; D433-Y437 VanDerWaalsContact O-CE2 3.28Å; D433-Y437 WeakPolarHBondContact O-CE2 3.32Å; D433-Y437 PolarHBondContact O-OH 2.88Å; D433-Y437 VanDerWaalsContact O-OH 3.04Å; A435-Y437 HydrophobicContact CB-CD2 4.36Å; A435-Y437 HydrophobicContact CB-CE2 3.93Å; A435-Y437 WeakPolarHBondContact O-CD2 3.39Å; Y437-T451 VanDerWaalsContact O-CA 3.31Å; Y437-T451 WeakPolarHBondContact O-CA 3.33Å; Y437-G452 PolarHBondContact N-O 3.35Å; Y437-G452 PolarHBondContact O-N 3.48Å; Y437-L454 HydrophobicContact CD2-CB 3.9Å; Y437-L454 HydrophobicContact CD2-CD2 4.45Å; Y437-L454 HydrophobicContact CE2-CB 3.87Å; Y437-L454 HydrophobicContact CE2-CD2 3.81Å; Y437-L454 HydrophobicContact CE2-CG 4.48Å |
| 438 | T | 96.1 | Very high | 94.7 | Very high | 23 Ų | 23 | 52.2 Ų | 52.2 | 14% | 0.141 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.1 | 178.4 | -57.6 | 0 | 0 | 0 | 0 | 109.5 | W403 K404 I440 T450 T451 | W403-T438 CarbonylContact C-O 3.48Å; W403-T438 WeakPolarHBondContact CA-O 3.35Å; K404-T438 PolarHBondContact N-O 2.94Å; K404-T438 PolarHBondContact O-N 3.05Å; T438-I440 HydrophobicContact CG2-CG1 3.91Å; T438-T450 CarbonylContact C-O 3.56Å; T438-T450 VanDerWaalsContact CA-O 3.31Å; T438-T450 WeakPolarHBondContact CA-O 3.36Å; T438-T451 WeakPolarHBondContact CG2-OG1 3.26Å; T438-T451 WeakPolarHBondContact OG1-CG2 3.48Å; T438-T451 PolarHBondContact OG1-OG1 3Å |
| 439 | C | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 133.7 | 164.5 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | C391 W403 S449 T450 | C391-C439 HydrophobicContact CB-CB 3.54Å; C391-C439 WeakPolarHBondContact CB-SG 3.27Å; C391-C439 WeakPolarHBondContact SG-CB 3.3Å; C391-C439 CovalentContact SG-SG 2.01Å; C391-C439 PolarHBondContact SG-SG 2.93Å; W403-C439 HydrophobicContact CD2-CB 4.02Å; W403-C439 HydrophobicContact CE3-CB 4.14Å; W403-C439 HydrophobicContact CH2-CB 3.79Å; W403-C439 HydrophobicContact CZ2-CB 3.68Å; W403-C439 HydrophobicContact CZ3-CB 4.01Å; C439-S449 CarbonylContact O-C 3.59Å; C439-S449 WeakPolarHBondContact O-CA 3.47Å; C439-S449 WeakPolarHBondContact O-CB 3.38Å; C439-T450 HydrophobicContact CB-CG2 4.02Å; C439-T450 PolarHBondContact N-O 2.95Å; C439-T450 PolarHBondContact O-N 3.26Å |
| 440 | I | 95.1 | Very high | 94.7 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 18% | 0.179 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 110.7 | 177.2 | -54.9 | 176 | 0 | 0 | 0 | 107.1 | S401 L402 K404 T438 T447 A448 | S401-I440 WeakPolarHBondContact CA-O 3.07Å; L402-I440 HydrophobicContact CB-CB 4.45Å; L402-I440 PolarHBondContact N-O 2.8Å; L402-I440 PolarHBondContact O-N 3.03Å; K404-I440 HydrophobicContact CD-CD1 3.9Å; K404-I440 HydrophobicContact CG-CD1 4.14Å; T438-I440 HydrophobicContact CG2-CG1 3.91Å; I440-T447 HydrophobicContact CG2-CG2 3.38Å; I440-A448 CarbonylContact C-O 3.48Å; I440-A448 WeakPolarHBondContact CA-O 3.49Å |
| 441 | A | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 125.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | P368 F370 P393 A399 I400 T447 A448 | P368-A441 HydrophobicContact CB-CB 3.83Å; P368-A441 HydrophobicContact CG-CB 4.48Å; P368-A441 WeakPolarHBondContact CG-O 3.47Å; F370-A441 HydrophobicContact CZ-CB 4.05Å; P393-A441 HydrophobicContact CB-CB 3.52Å; P393-A441 HydrophobicContact CG-CB 3.54Å; A399-A441 HydrophobicContact CB-CB 4.05Å; I400-A441 WeakPolarHBondContact O-CA 3.32Å; A441-T447 CarbonylContact O-C 3.54Å; A441-T447 VanDerWaalsContact O-CA 3.26Å; A441-T447 WeakPolarHBondContact O-CA 3.17Å; A441-T447 WeakPolarHBondContact O-CG2 3.21Å; A441-A448 PolarHBondContact N-O 3.12Å; A441-A448 PolarHBondContact O-N 3.47Å |
| 442 | K | 94.8 | Very high | 94.8 | Very high | 131 Ų | 131 | 46.8 Ų | 46.8 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135.1 | -179.3 | -178 | 172.6 | -179 | -176.6 | 0 | 111.4 | A399 I400 T447 | A399-K442 CarbonylContact C-O 3.38Å; A399-K442 WeakPolarHBondContact CA-O 3.06Å; I400-K442 PolarHBondContact N-O 3.37Å; I400-K442 PolarHBondContact O-N 3.5Å; K442-T447 HydrophobicContact CB-CG2 4.37Å; K442-T447 WeakPolarHBondContact CG-OG1 3.45Å |
| 443 | N | 94.3 | Very high | 95 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | -174.3 | 160.3 | 74.1 | 6.5 | 0 | 0 | 0 | 108.8 | S366 P368 P397 A399 F445 G446 | S366-N443 PolarHBondContact O-ND2 3.39Å; P368-N443 VanDerWaalsContact CD-OD1 3.31Å; P368-N443 WeakPolarHBondContact CD-OD1 3.37Å; P368-N443 HydrophobicContact CG-CB 4.2Å; P397-N443 PolarHBondContact O-ND2 2.73Å; A399-N443 HydrophobicContact CB-CB 4.34Å; N443-F445 PolarHBondContact O-N 3.01Å; N443-F445 WeakPolarHBondContact OD1-CA 3.36Å; N443-F445 WeakPolarHBondContact OD1-CB 3.41Å; N443-F445 PolarHBondContact OD1-N 2.73Å; N443-G446 PolarHBondContact N-O 2.98Å; N443-G446 VanDerWaalsContact N-O 3.09Å; N443-G446 PolarHBondContact O-N 2.89Å; N443-G446 PolarHBondContact OD1-N 2.84Å |
| 444 | Q | 91.8 | Very high | 95 | Very high | 105 Ų | 105 | 44 Ų | 44 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.9 | -178.6 | 66.6 | -172.1 | 13 | 0 | 0 | 114.8 | E290 | E290-Q444 PolarHBondContact OE1-NE2 2.77Å; E290-Q444 PolarHBondContact OE1-OE1 2.89Å |
| 445 | F | 91.2 | Very high | 95 | Very high | 87 Ų | 87 | 44.4 Ų | 44.4 | 38% | 0.382 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -12.3 | -178.6 | -64 | -67.4 | 0 | 0 | 0 | 113.7 | I289 A365 A367 N443 | I289-F445 HydrophobicContact CD1-CZ 4.15Å; I289-F445 HydrophobicContact CG2-CE2 3.76Å; I289-F445 HydrophobicContact CG2-CZ 3.84Å; A365-F445 HydrophobicContact CB-CD2 4.37Å; A365-F445 HydrophobicContact CB-CE1 4.18Å; A365-F445 HydrophobicContact CB-CE2 3.74Å; A365-F445 HydrophobicContact CB-CZ 3.65Å; A367-F445 HydrophobicContact CB-CB 4.08Å; N443-F445 PolarHBondContact O-N 3.01Å; N443-F445 WeakPolarHBondContact OD1-CA 3.36Å; N443-F445 WeakPolarHBondContact OD1-CB 3.41Å; N443-F445 PolarHBondContact OD1-N 2.73Å |
| 446 | G | 93.5 | Very high | 95 | Very high | 25 Ų | 25 | 43.9 Ų | 43.9 | 26% | 0.258 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.8 | -164.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P368 N443 | P368-G446 WeakPolarHBondContact CD-O 3.3Å; N443-G446 PolarHBondContact N-O 2.98Å; N443-G446 VanDerWaalsContact N-O 3.09Å; N443-G446 PolarHBondContact O-N 2.89Å; N443-G446 PolarHBondContact OD1-N 2.84Å |
| 447 | T | 95.7 | Very high | 94.9 | Very high | 79 Ų | 79 | 41.3 Ų | 41.3 | 49% | 0.485 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 138.2 | -178.2 | -57.5 | 0 | 0 | 0 | 0 | 109 | I440 A441 K442 | I440-T447 HydrophobicContact CG2-CG2 3.38Å; A441-T447 CarbonylContact O-C 3.54Å; A441-T447 VanDerWaalsContact O-CA 3.26Å; A441-T447 WeakPolarHBondContact O-CA 3.17Å; A441-T447 WeakPolarHBondContact O-CG2 3.21Å; K442-T447 HydrophobicContact CB-CG2 4.37Å; K442-T447 WeakPolarHBondContact CG-OG1 3.45Å |
| 448 | A | 96.3 | Very high | 94.7 | Very high | 19 Ų | 19 | 46 Ų | 46 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 152.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P368 F370 I440 A441 | P368-A448 HydrophobicContact CB-CB 4.33Å; P368-A448 WeakPolarHBondContact O-CB 3.24Å; F370-A448 HydrophobicContact CD2-CB 3.89Å; F370-A448 HydrophobicContact CE2-CB 3.76Å; I440-A448 CarbonylContact C-O 3.48Å; I440-A448 WeakPolarHBondContact CA-O 3.49Å; A441-A448 PolarHBondContact N-O 3.12Å; A441-A448 PolarHBondContact O-N 3.47Å |
| 449 | S | 95.1 | Very high | 94.4 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 54% | 0.538 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 156.1 | 175.2 | 61 | 0 | 0 | 0 | 0 | 111.4 | C439 | C439-S449 CarbonylContact O-C 3.59Å; C439-S449 WeakPolarHBondContact O-CA 3.47Å; C439-S449 WeakPolarHBondContact O-CB 3.38Å |
| 450 | T | 94.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 139.3 | 174.9 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | F370 S373 P374 L375 T438 C439 | F370-T450 HydrophobicContact CD2-CG2 4.35Å; F370-T450 HydrophobicContact CE1-CG2 4.2Å; F370-T450 HydrophobicContact CE2-CG2 4Å; F370-T450 HydrophobicContact CZ-CG2 3.91Å; S373-T450 PolarHBondContact OG-OG1 3.42Å; P374-T450 HydrophobicContact CG-CG2 3.72Å; L375-T450 HydrophobicContact CD1-CG2 4.13Å; L375-T450 HydrophobicContact CG-CG2 4.36Å; T438-T450 CarbonylContact C-O 3.56Å; T438-T450 VanDerWaalsContact CA-O 3.31Å; T438-T450 WeakPolarHBondContact CA-O 3.36Å; C439-T450 HydrophobicContact CB-CG2 4.02Å; C439-T450 PolarHBondContact N-O 2.95Å; C439-T450 PolarHBondContact O-N 3.26Å |
| 451 | T | 95.2 | Very high | 94.1 | Very high | 71 Ų | 71 | 53.5 Ų | 53.5 | 44% | 0.436 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135.7 | -175.4 | -58.2 | 0 | 0 | 0 | 0 | 109.8 | Y437 T438 | Y437-T451 VanDerWaalsContact O-CA 3.31Å; Y437-T451 WeakPolarHBondContact O-CA 3.33Å; T438-T451 WeakPolarHBondContact CG2-OG1 3.26Å; T438-T451 WeakPolarHBondContact OG1-CG2 3.48Å; T438-T451 PolarHBondContact OG1-OG1 3Å |
| 452 | G | 94.8 | Very high | 94 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | K376 Y437 | K376-G452 WeakPolarHBondContact O-CA 3.44Å; Y437-G452 PolarHBondContact N-O 3.35Å; Y437-G452 PolarHBondContact O-N 3.48Å |
| 453 | K | 95.3 | Very high | 94 | Very high | 114 Ų | 114 | 52.5 Ų | 52.5 | 50% | 0.496 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 127.5 | 178.4 | -168.7 | 174.3 | 179.9 | -177.8 | 0 | 110.3 | A377 L378 L379 | A377-K453 WeakPolarHBondContact O-CB 2.92Å; A377-K453 PolarHBondContact O-N 2.57Å; L378-K453 CarbonylContact C-O 3.52Å; L378-K453 WeakPolarHBondContact CA-O 3.29Å; L378-K453 HydrophobicContact CD1-CB 4.05Å; L378-K453 HydrophobicContact CD1-CD 4.16Å; L378-K453 HydrophobicContact CD1-CG 4.09Å; L379-K453 PolarHBondContact N-O 2.91Å |
| 454 | L | 95.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.3 | 172.3 | -179.2 | 58.9 | 0 | 0 | 0 | 109.3 | L379 A381 V387 A434 A435 Y437 I456 | L379-L454 HydrophobicContact CB-CD1 4.43Å; L379-L454 HydrophobicContact CD2-CD1 4.25Å; L379-L454 HydrophobicContact CG-CD1 4.32Å; L379-L454 WeakPolarHBondContact O-CA 3.24Å; A381-L454 HydrophobicContact CB-CD1 3.96Å; V387-L454 HydrophobicContact CG1-CD1 3.97Å; V387-L454 HydrophobicContact CG1-CD2 4.28Å; V387-L454 HydrophobicContact CG2-CD1 4.26Å; A434-L454 WeakPolarHBondContact CA-O 3.37Å; A435-L454 PolarHBondContact N-O 3.23Å; A435-L454 PolarHBondContact O-N 3.18Å; Y437-L454 HydrophobicContact CD2-CB 3.9Å; Y437-L454 HydrophobicContact CD2-CD2 4.45Å; Y437-L454 HydrophobicContact CE2-CB 3.87Å; Y437-L454 HydrophobicContact CE2-CD2 3.81Å; Y437-L454 HydrophobicContact CE2-CG 4.48Å; L454-I456 HydrophobicContact CD1-CD1 3.94Å; L454-I456 HydrophobicContact CD2-CD1 3.95Å; L454-I456 HydrophobicContact CG-CD1 3.75Å; L454-I456 HydrophobicContact CG-CG1 4.48Å |
| 455 | L | 95 | Very high | 94 | Very high | 52 Ų | 52 | 58 Ų | 58 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.7 | 171.5 | -177.9 | 66.9 | 0 | 0 | 0 | 109 | L378 L379 K380 A381 T457 A488 | L378-L455 HydrophobicContact CD1-CB 3.95Å; L379-L455 PolarHBondContact O-N 3.5Å; K380-L455 WeakPolarHBondContact CA-O 3.27Å; A381-L455 PolarHBondContact N-O 2.95Å; L455-T457 HydrophobicContact CD2-CG2 4.37Å; L455-T457 HydrophobicContact CG-CG2 4.38Å; L455-A488 HydrophobicContact CD2-CB 3.67Å |
| 456 | I | 95.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.4 | 176.2 | -55.2 | -54.6 | 0 | 0 | 0 | 108.5 | A381 V429 T430 D433 A434 L454 | A381-I456 HydrophobicContact CB-CD1 3.99Å; A381-I456 WeakPolarHBondContact O-CA 3.29Å; V429-I456 HydrophobicContact CB-CD1 3.87Å; V429-I456 HydrophobicContact CG2-CD1 3.7Å; T430-I456 WeakPolarHBondContact O-CG1 3.39Å; D433-I456 HydrophobicContact CB-CG1 4.48Å; A434-I456 HydrophobicContact CB-CB 4.45Å; A434-I456 HydrophobicContact CB-CG1 4.15Å; L454-I456 HydrophobicContact CD1-CD1 3.94Å; L454-I456 HydrophobicContact CD2-CD1 3.95Å; L454-I456 HydrophobicContact CG-CD1 3.75Å; L454-I456 HydrophobicContact CG-CG1 4.48Å |
| 457 | T | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 149.3 | -176.4 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | A381 S383 L455 D486 L489 | A381-T457 PolarHBondContact O-N 3.44Å; A381-T457 PolarHBondContact O-OG1 3.11Å; S383-T457 PolarHBondContact N-O 3.18Å; L455-T457 HydrophobicContact CD2-CG2 4.37Å; L455-T457 HydrophobicContact CG-CG2 4.38Å; T457-D486 WeakPolarHBondContact CA-OD2 3.41Å; T457-D486 HydrophobicContact CG2-CB 4.37Å; T457-L489 HydrophobicContact CG2-CD2 3.81Å; T457-L489 HydrophobicContact CG2-CG 4.02Å |
| 458 | E | 91.7 | Very high | 94 | Very high | 99 Ų | 99 | 59 Ų | 59 | 46% | 0.463 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 146.5 | 170.2 | -66.9 | -165.5 | 175.9 | 0 | 0 | 111.3 | K431 T460 D486 | K431-E458 WeakPolarHBondContact CE-OE1 3.22Å; K431-E458 IonicContact NZ-OE1 3.94Å; K431-E458 PolarHBondContact NZ-OE1 3.2Å; E458-T460 PolarHBondContact O-N 2.91Å; E458-D486 HydrophobicContact CB-CB 4.38Å; E458-D486 PolarHBondContact N-OD2 2.68Å |
| 459 | P | 90.4 | Very high | 93.6 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 24% | 0.24 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 130.7 | 178.9 | 28.1 | -33.5 | 0 | 0 | 0 | 110.9 | R382 | R382-P459 HydrophobicContact CG-CB 4.34Š|
| 460 | T | 91.9 | Very high | 93.3 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 141.1 | 175 | -49.2 | 0 | 0 | 0 | 0 | 109.9 | E458 I483 A484 T533 E536 L538 | E458-T460 PolarHBondContact O-N 2.91Å; T460-I483 HydrophobicContact CG2-CB 4.32Å; T460-I483 HydrophobicContact CG2-CD1 3.96Å; T460-A484 WeakPolarHBondContact CA-O 3.32Å; T460-T533 HydrophobicContact CG2-CG2 4.36Å; T460-E536 WeakPolarHBondContact CA-OE1 3.42Å; T460-E536 WeakPolarHBondContact CB-OE1 3.38Å; T460-E536 PolarHBondContact N-OE1 2.72Å; T460-E536 PolarHBondContact OG1-OE1 2.89Å; T460-L538 HydrophobicContact CG2-CD1 3.9Å; T460-L538 VanDerWaalsContact O-CD1 3.29Å; T460-L538 WeakPolarHBondContact O-CD1 3.5Å |
| 461 | R | 92.5 | Very high | 93 | Very high | 172 Ų | 172 | 63.1 Ų | 63.1 | 65% | 0.649 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.4 | 179.3 | -61.2 | 177.6 | -174.6 | -120.9 | 1.6 | 110.2 | T463 I483 A484 | R461-T463 PolarHBondContact O-N 3.03Å; R461-I483 CarbonylContact O-C 3.15Å; R461-I483 WeakPolarHBondContact O-CA 2.99Å; R461-I483 WeakPolarHBondContact O-CB 3.44Å; R461-A484 PolarHBondContact N-O 3.09Å; R461-A484 PolarHBondContact O-N 2.92Å |
| 462 | I | 93.1 | Very high | 92.4 | Very high | 23 Ų | 23 | 62.5 Ų | 62.5 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 111.2 | 169.7 | -54.3 | 175.3 | 0 | 0 | 0 | 107.9 | M464 R465 Q482 I483 L538 T540 | I462-M464 WeakPolarHBondContact CG2-O 3.11Å; I462-R465 HydrophobicContact CB-CG 4.39Å; I462-R465 HydrophobicContact CG2-CG 3.63Å; I462-Q482 CarbonylContact C-O 3.56Å; I462-Q482 WeakPolarHBondContact CA-O 3.48Å; I462-Q482 WeakPolarHBondContact CG2-O 3.26Å; I462-I483 HydrophobicContact CG1-CG2 4.31Å; I462-L538 HydrophobicContact CD1-CB 4.24Å; I462-L538 HydrophobicContact CG1-CB 4.47Å; I462-T540 HydrophobicContact CD1-CG2 3.85Å; I462-T540 HydrophobicContact CG2-CG2 4.24Å |
| 463 | T | 94.3 | Very high | 92 | Very high | 86 Ų | 86 | 64.4 Ų | 64.4 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -38.4 | -177.6 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | R461 Q482 I483 A484 | R461-T463 PolarHBondContact O-N 3.03Å; T463-Q482 PolarHBondContact N-O 3.08Å; T463-Q482 PolarHBondContact OG1-O 2.95Å; T463-I483 PolarHBondContact OG1-N 3.37Å; T463-A484 HydrophobicContact CG2-CB 3.65Å |
| 464 | M | 92.9 | Very high | 91.3 | Very high | 78 Ų | 78 | 60.9 Ų | 60.9 | 38% | 0.384 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 123.5 | 176.2 | -155.6 | 156.1 | 71.5 | 0 | 0 | 109.9 | I462 P480 C481 Q482 | I462-M464 WeakPolarHBondContact CG2-O 3.11Å; M464-P480 HydrophobicContact CB-CB 4.36Å; M464-P480 HydrophobicContact CE-CB 3.41Å; M464-P480 VanDerWaalsContact CE-CB 3.41Å; M464-P480 HydrophobicContact CE-CG 4.32Å; M464-P480 HydrophobicContact CG-CB 3.83Å; M464-P480 HydrophobicContact CG-CG 4.08Å; M464-P480 HydrophobicContact SD-CB 4.3Å; M464-C481 WeakPolarHBondContact O-CA 3.43Å; M464-Q482 HydrophobicContact CB-CB 3.82Å; M464-Q482 HydrophobicContact CB-CG 4.13Å; M464-Q482 HydrophobicContact CE-CG 3.97Å; M464-Q482 VanDerWaalsContact CE-NE2 3.34Å; M464-Q482 PolarHBondContact N-O 2.8Å; M464-Q482 PolarHBondContact O-N 3Å; M464-Q482 VanDerWaalsContact O-N 3.11Å |
| 465 | R | 94 | Very high | 90.8 | Very high | 159 Ų | 159 | 65.3 Ų | 65.3 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | trans | -110.4 | 147.5 | -175 | -63.8 | 178.1 | -173.2 | 171.5 | 0.2 | 109.8 | I462 P480 | I462-R465 HydrophobicContact CB-CG 4.39Å; I462-R465 HydrophobicContact CG2-CG 3.63Å; R465-P480 CarbonylContact C-O 3.57Å | ||
| 466 | P | 93.4 | Very high | 90.5 | Very high | 7 Ų | 7 | 66.1 Ų | 66.1 | 5% | 0.045 | 34% | 0.341 | C | S | . | . | trans | -69.5 | 145.2 | 172.8 | 33.7 | -35 | 0 | 0 | 0 | 109 | L479 P480 W495 T540 A542 | P466-L479 HydrophobicContact CB-CB 4.16Å; P466-L479 HydrophobicContact CB-CD2 4Å; P466-P480 WeakPolarHBondContact CD-O 3.24Å; P466-P480 VanDerWaalsContact N-O 3.09Å; P466-W495 HydrophobicContact CB-CH2 4.11Å; P466-W495 HydrophobicContact CG-CH2 3.96Å; P466-W495 HydrophobicContact CG-CZ3 4.41Å; P466-T540 VanDerWaalsContact CD-CG2 3.42Å; P466-T540 HydrophobicContact CG-CG2 4.1Å; P466-A542 HydrophobicContact CB-CB 3.62Å; P466-A542 HydrophobicContact CG-CB 3.9Å | ||
| 467 | T | 93.5 | Very high | 90.1 | Very high | 93 Ų | 93 | 66.4 Ų | 66.4 | 57% | 0.571 | 34% | 0.342 | S | S | * | . | trans | -113.6 | 157.4 | 178.1 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | M469 A542 | T467-M469 PolarHBondContact O-N 2.95Å; T467-A542 WeakPolarHBondContact O-CB 3.49Å | ||
| 468 | N | 94 | Very high | 89.8 | Confident | 113 Ų | 113 | 70 Ų | 70 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | trans | -66.5 | 133.9 | 176 | -62.4 | -16.8 | 0 | 0 | 0 | 109.4 | I543 | N468-I543 VanDerWaalsContact CA-O 3.25Å; N468-I543 WeakPolarHBondContact CA-O 3.47Å; N468-I543 PolarHBondContact OD1-N 2.03Å | ||
| 469 | M | 87.4 | Confident | 89.8 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 24% | 0.236 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 147.5 | -175.8 | -70 | -176 | -73.5 | 0 | 0 | 111.3 | T467 I471 I477 L479 I543 L544 V545 | T467-M469 PolarHBondContact O-N 2.95Å; M469-I471 HydrophobicContact CB-CD1 4.39Å; M469-I471 HydrophobicContact CB-CG1 4.14Å; M469-I477 HydrophobicContact CE-CD1 3.87Å; M469-L479 HydrophobicContact CE-CD2 3.23Å; M469-L479 HydrophobicContact CE-CG 4.28Å; M469-I543 PolarHBondContact N-O 2.84Å; M469-I543 VanDerWaalsContact N-O 3.08Å; M469-L544 HydrophobicContact CB-CD1 4.21Å; M469-V545 PolarHBondContact O-N 2.89Å |
| 470 | E | 89.3 | Confident | 89.9 | Confident | 126 Ų | 126 | 64.8 Ų | 64.8 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.5 | 169.3 | -57.9 | -168.6 | 142 | 0 | 0 | 108.9 | V545 K547 | E470-V545 CarbonylContact C-O 3.56Å; E470-V545 VanDerWaalsContact CA-O 3.3Å; E470-V545 WeakPolarHBondContact CA-O 3.36Å; E470-V545 HydrophobicContact CG-CB 4.15Å; E470-K547 IonicContact OE1-NZ 2.7Å; E470-K547 PolarHBondContact OE1-NZ 2.96Å; E470-K547 WeakPolarHBondContact OE2-CE 3.41Å; E470-K547 IonicContact OE2-NZ 3.61Å; E470-K547 PolarHBondContact OE2-NZ 2.99Å |
| 471 | I | 87.2 | Confident | 89.9 | Confident | 19 Ų | 19 | 64.4 Ų | 64.4 | 10% | 0.097 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 148.5 | -169.4 | -61.5 | -64.1 | 0 | 0 | 0 | 110.2 | M469 E475 I477 I519 L544 V545 V546 K547 | M469-I471 HydrophobicContact CB-CD1 4.39Å; M469-I471 HydrophobicContact CB-CG1 4.14Å; I471-E475 HydrophobicContact CG2-CB 3.69Å; I471-E475 HydrophobicContact CG2-CG 4.36Å; I471-E475 WeakPolarHBondContact CG2-OE2 2.86Å; I471-I477 HydrophobicContact CD1-CG2 3.73Å; I471-I477 HydrophobicContact CG1-CD1 4.43Å; I471-I477 HydrophobicContact CG1-CG2 3.93Å; I471-I477 HydrophobicContact CG2-CG2 4.22Å; I471-I519 HydrophobicContact CB-CD1 4.46Å; I471-I519 HydrophobicContact CG2-CD1 3.56Å; I471-I519 HydrophobicContact CG2-CG2 4.43Å; I471-L544 HydrophobicContact CB-CD1 4.06Å; I471-L544 HydrophobicContact CG1-CD1 3.6Å; I471-V545 PolarHBondContact N-O 2.89Å; I471-V546 CarbonylContact O-C 3.55Å; I471-V546 VanDerWaalsContact O-CA 3.28Å; I471-V546 WeakPolarHBondContact O-CA 3.33Å; I471-K547 PolarHBondContact O-N 3.33Å |
| 472 | I | 83.9 | Confident | 89.8 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 30% | 0.297 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 149.1 | 178 | -59.3 | 169.3 | 0 | 0 | 0 | 110 | G474 E475 K547 P550 | I472-G474 PolarHBondContact O-N 2.82Å; I472-E475 PolarHBondContact O-N 2.8Å; I472-K547 WeakPolarHBondContact CA-O 3.27Å; I472-P550 HydrophobicContact CD1-CG 4.21Å |
| 473 | V | 84.7 | Confident | 89.8 | Confident | 47 Ų | 47 | 60.3 Ų | 60.3 | 29% | 0.285 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 134.7 | 174.8 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | I519 L521 V546 K547 | V473-I519 CarbonylContact C-O 3.57Å; V473-I519 VanDerWaalsContact CA-O 3.29Å; V473-I519 WeakPolarHBondContact CA-O 3.21Å; V473-I519 WeakPolarHBondContact CG1-O 3.32Å; V473-L521 HydrophobicContact CG2-CD2 3.98Å; V473-L521 HydrophobicContact CG2-CG 3.86Å; V473-V546 HydrophobicContact CG2-CG1 3.82Å; V473-K547 PolarHBondContact N-O 3.43Å |
| 474 | G | 82.1 | Confident | 89.7 | Confident | 40 Ų | 40 | 58.8 Ų | 58.8 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -17.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I472 I519 | I472-G474 PolarHBondContact O-N 2.82Å; G474-I519 PolarHBondContact N-O 3.37Å |
| 475 | E | 85.2 | Confident | 89.6 | Confident | 95 Ų | 95 | 56.8 Ų | 56.8 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | trans | -68.8 | 162.7 | 176 | -69.2 | -164.4 | 163.2 | 0 | 0 | 112.3 | I471 I472 N518 I519 | I471-E475 HydrophobicContact CG2-CB 3.69Å; I471-E475 HydrophobicContact CG2-CG 4.36Å; I471-E475 WeakPolarHBondContact CG2-OE2 2.86Å; I472-E475 PolarHBondContact O-N 2.8Å; E475-N518 PolarHBondContact O-N 3.38Å; E475-I519 WeakPolarHBondContact O-CB 3.4Å; E475-I519 WeakPolarHBondContact O-CD1 3.45Å; E475-I519 WeakPolarHBondContact O-CG1 3.25Å; E475-I519 PolarHBondContact O-N 2.77Å | ||
| 476 | S | 87.4 | Confident | 89.6 | Confident | 70 Ų | 70 | 50.8 Ų | 50.8 | 49% | 0.49 | 29% | 0.294 | S | S | . | . | trans | -123.9 | 131.8 | 172.3 | -58.2 | 0 | 0 | 0 | 0 | 109 | I516 R517 N518 | S476-I516 CarbonylContact C-O 3.56Å; S476-I516 VanDerWaalsContact CA-O 3.22Å; S476-I516 WeakPolarHBondContact CA-O 3.39Å; S476-R517 WeakPolarHBondContact OG-CA 3.37Å; S476-N518 PolarHBondContact OG-N 2.65Å; S476-N518 VanDerWaalsContact OG-N 3.17Å | ||
| 477 | I | 88.9 | Confident | 89.4 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 9% | 0.087 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 164.3 | -177.9 | 68.9 | -178.4 | 0 | 0 | 0 | 111.3 | M469 I471 L479 M515 I516 I519 L544 | M469-I477 HydrophobicContact CE-CD1 3.87Å; I471-I477 HydrophobicContact CD1-CG2 3.73Å; I471-I477 HydrophobicContact CG1-CD1 4.43Å; I471-I477 HydrophobicContact CG1-CG2 3.93Å; I471-I477 HydrophobicContact CG2-CG2 4.22Å; I477-L479 HydrophobicContact CD1-CG 4.45Å; I477-M515 CarbonylContact O-C 3.44Å; I477-M515 WeakPolarHBondContact O-CA 3.25Å; I477-I516 HydrophobicContact CD1-CD1 4.36Å; I477-I516 HydrophobicContact CG1-CB 4.11Å; I477-I516 HydrophobicContact CG1-CD1 4.47Å; I477-I516 PolarHBondContact N-O 3.12Å; I477-I516 PolarHBondContact O-N 2.91Å; I477-I519 HydrophobicContact CB-CD1 4.19Å; I477-I519 HydrophobicContact CD1-CD1 3.92Å; I477-I519 HydrophobicContact CG1-CD1 3.75Å; I477-I519 HydrophobicContact CG2-CD1 3.72Å; I477-L544 HydrophobicContact CD1-CD1 3.55Å; I477-L544 HydrophobicContact CD1-CD2 3.82Å; I477-L544 HydrophobicContact CD1-CG 4.32Å |
| 478 | V | 89 | Confident | 89.2 | Confident | 74 Ų | 74 | 54 Ų | 54 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 121.5 | 168.5 | -179 | 0 | 0 | 0 | 0 | 108.2 | P480 D513 L514 M515 | V478-P480 WeakPolarHBondContact O-CD 3.33Å; V478-D513 HydrophobicContact CG1-CB 3.69Å; V478-L514 CarbonylContact C-O 3.54Å; V478-L514 WeakPolarHBondContact CA-O 3.46Å; V478-M515 HydrophobicContact CG2-CB 4.26Å; V478-M515 HydrophobicContact CG2-CG 4.03Å |
| 479 | L | 91.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 111.6 | 171 | -70.4 | 172 | 0 | 0 | 0 | 108.5 | P466 M469 I477 W495 D513 L514 I516 Y527 A542 | P466-L479 HydrophobicContact CB-CB 4.16Å; P466-L479 HydrophobicContact CB-CD2 4Å; M469-L479 HydrophobicContact CE-CD2 3.23Å; M469-L479 HydrophobicContact CE-CG 4.28Å; I477-L479 HydrophobicContact CD1-CG 4.45Å; L479-W495 HydrophobicContact CB-CH2 3.66Å; L479-W495 HydrophobicContact CB-CZ2 4.21Å; L479-W495 HydrophobicContact CB-CZ3 4.27Å; L479-W495 HydrophobicContact CD1-CH2 4.44Å; L479-W495 HydrophobicContact CD1-CZ3 4.21Å; L479-W495 WeakPolarHBondContact O-CZ2 3.26Å; L479-D513 WeakPolarHBondContact O-CA 3.32Å; L479-L514 HydrophobicContact CB-CB 4.22Å; L479-L514 HydrophobicContact CD1-CD2 4.1Å; L479-L514 PolarHBondContact N-O 2.9Å; L479-L514 PolarHBondContact O-N 2.86Å; L479-I516 HydrophobicContact CD1-CD1 3.77Å; L479-I516 HydrophobicContact CG-CD1 4.47Å; L479-Y527 HydrophobicContact CD1-CD1 4.01Å; L479-Y527 HydrophobicContact CD1-CD2 4.03Å; L479-Y527 HydrophobicContact CD1-CG 3.65Å; L479-A542 HydrophobicContact CD2-CB 4.48Å |
| 480 | P | 91.6 | Very high | 89.3 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 17% | 0.169 | 31% | 0.311 | C | S | . | . | trans | -75.4 | 142.3 | -174.6 | 29.7 | -36 | 0 | 0 | 0 | 112.2 | M464 R465 P466 V478 D513 | M464-P480 HydrophobicContact CB-CB 4.36Å; M464-P480 HydrophobicContact CE-CB 3.41Å; M464-P480 VanDerWaalsContact CE-CB 3.41Å; M464-P480 HydrophobicContact CE-CG 4.32Å; M464-P480 HydrophobicContact CG-CB 3.83Å; M464-P480 HydrophobicContact CG-CG 4.08Å; M464-P480 HydrophobicContact SD-CB 4.3Å; R465-P480 CarbonylContact C-O 3.57Å; P466-P480 WeakPolarHBondContact CD-O 3.24Å; P466-P480 VanDerWaalsContact N-O 3.09Å; V478-P480 WeakPolarHBondContact O-CD 3.33Å; P480-D513 WeakPolarHBondContact CA-OD1 3.27Å | ||
| 481 | C | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -147.5 | 78.3 | 169.7 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | M464 F493 W495 G512 D513 C529 | M464-C481 WeakPolarHBondContact O-CA 3.43Å; C481-F493 WeakPolarHBondContact O-CE1 2.94Å; C481-W495 HydrophobicContact CB-CH2 4.32Å; C481-W495 HydrophobicContact CB-CZ2 3.55Å; C481-G512 WeakPolarHBondContact CB-O 3.1Å; C481-D513 PolarHBondContact N-OD1 2.81Å; C481-C529 HydrophobicContact CB-CB 3.68Å; C481-C529 WeakPolarHBondContact CB-SG 3.3Å; C481-C529 WeakPolarHBondContact SG-CB 3.4Å; C481-C529 CovalentContact SG-SG 2.03Å; C481-C529 PolarHBondContact SG-SG 2.96Å | ||
| 482 | Q | 91.1 | Very high | 89.4 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 149.3 | -178.6 | -58.3 | -174.3 | -9.8 | 0 | 0 | 110.5 | I462 T463 M464 D513 | I462-Q482 CarbonylContact C-O 3.56Å; I462-Q482 WeakPolarHBondContact CA-O 3.48Å; I462-Q482 WeakPolarHBondContact CG2-O 3.26Å; T463-Q482 PolarHBondContact N-O 3.08Å; T463-Q482 PolarHBondContact OG1-O 2.95Å; M464-Q482 HydrophobicContact CB-CB 3.82Å; M464-Q482 HydrophobicContact CB-CG 4.13Å; M464-Q482 HydrophobicContact CE-CG 3.97Å; M464-Q482 VanDerWaalsContact CE-NE2 3.34Å; M464-Q482 PolarHBondContact N-O 2.8Å; M464-Q482 PolarHBondContact O-N 3Å; M464-Q482 VanDerWaalsContact O-N 3.11Å; Q482-D513 WeakPolarHBondContact CG-OD1 3.31Å; Q482-D513 PolarHBondContact NE2-OD2 3.42Å |
| 483 | I | 92.6 | Very high | 89.7 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 20% | 0.195 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 158.8 | -178.7 | 71.4 | 176 | 0 | 0 | 0 | 112.4 | T460 R461 I462 T463 V491 F493 V531 | T460-I483 HydrophobicContact CG2-CB 4.32Å; T460-I483 HydrophobicContact CG2-CD1 3.96Å; R461-I483 CarbonylContact O-C 3.15Å; R461-I483 WeakPolarHBondContact O-CA 2.99Å; R461-I483 WeakPolarHBondContact O-CB 3.44Å; I462-I483 HydrophobicContact CG1-CG2 4.31Å; T463-I483 PolarHBondContact OG1-N 3.37Å; I483-V491 HydrophobicContact CD1-CB 4.43Å; I483-V491 HydrophobicContact CD1-CG1 3.44Å; I483-V491 VanDerWaalsContact CD1-CG1 3.44Å; I483-V491 HydrophobicContact CD1-CG2 4.14Å; I483-F493 HydrophobicContact CD1-CE1 4.43Å; I483-F493 HydrophobicContact CD1-CZ 3.83Å; I483-F493 HydrophobicContact CG1-CZ 3.98Å; I483-F493 HydrophobicContact CG2-CE1 4.04Å; I483-F493 HydrophobicContact CG2-CZ 4.33Å; I483-V531 HydrophobicContact CD1-CG1 3.74Å; I483-V531 HydrophobicContact CG2-CB 4.46Å; I483-V531 HydrophobicContact CG2-CG1 4.04Å; I483-V531 HydrophobicContact CG2-CG2 3.86Å |
| 484 | A | 92.9 | Very high | 89.9 | Confident | 53 Ų | 53 | 51.1 Ų | 51.1 | 44% | 0.438 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.3 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | T460 R461 T463 | T460-A484 WeakPolarHBondContact CA-O 3.32Å; R461-A484 PolarHBondContact N-O 3.09Å; R461-A484 PolarHBondContact O-N 2.92Å; T463-A484 HydrophobicContact CG2-CB 3.65Å |
| 485 | S | 91.3 | Very high | 90.4 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 26% | 0.259 | 30% | 0.298 | S | S | . | . | trans | -127 | 154.3 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 486 | D | 92.6 | Very high | 90.7 | Very high | 32 Ų | 32 | 45.9 Ų | 45.9 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | trans | -60.5 | 130.4 | 168.8 | -168.1 | -58.5 | 0 | 0 | 0 | 109.6 | T457 E458 A488 L489 | T457-D486 WeakPolarHBondContact CA-OD2 3.41Å; T457-D486 HydrophobicContact CG2-CB 4.37Å; E458-D486 HydrophobicContact CB-CB 4.38Å; E458-D486 PolarHBondContact N-OD2 2.68Å; D486-A488 PolarHBondContact O-N 3.44Å; D486-A488 VanDerWaalsContact OD1-CB 3.3Å; D486-A488 WeakPolarHBondContact OD1-CB 3.38Å; D486-A488 PolarHBondContact OD1-N 2.66Å; D486-L489 HydrophobicContact CB-CD1 4Å; D486-L489 HydrophobicContact CB-CG 4.12Å; D486-L489 PolarHBondContact O-N 2.83Å | ||
| 487 | P | 90.8 | Very high | 90.9 | Very high | 133 Ų | 133 | 44.7 Ų | 44.7 | 86% | 0.864 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.7 | -179.1 | -24.1 | 33.4 | 0 | 0 | 0 | 114.5 | L489 | P487-L489 VanDerWaalsContact C-N 3.31Š|
| 488 | A | 88.9 | Confident | 90.9 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K380 L455 D486 | K380-A488 WeakPolarHBondContact CD-O 3.44Å; K380-A488 WeakPolarHBondContact CE-O 3.3Å; K380-A488 PolarHBondContact NZ-O 3.29Å; L455-A488 HydrophobicContact CD2-CB 3.67Å; D486-A488 PolarHBondContact O-N 3.44Å; D486-A488 VanDerWaalsContact OD1-CB 3.3Å; D486-A488 WeakPolarHBondContact OD1-CB 3.38Å; D486-A488 PolarHBondContact OD1-N 2.66Å |
| 489 | L | 91.7 | Very high | 90.7 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -95.9 | 136.1 | 178.5 | -66.2 | 174.8 | 0 | 0 | 0 | 111.1 | K380 T457 D486 P487 T533 D534 V535 | K380-L489 HydrophobicContact CD-CD2 4.09Å; T457-L489 HydrophobicContact CG2-CD2 3.81Å; T457-L489 HydrophobicContact CG2-CG 4.02Å; D486-L489 HydrophobicContact CB-CD1 4Å; D486-L489 HydrophobicContact CB-CG 4.12Å; D486-L489 PolarHBondContact O-N 2.83Å; P487-L489 VanDerWaalsContact C-N 3.31Å; L489-T533 HydrophobicContact CD1-CG2 4.42Å; L489-D534 HydrophobicContact CD2-CB 4.16Å; L489-V535 HydrophobicContact CD1-CG2 4.03Å; L489-V535 HydrophobicContact CD2-CB 4.41Å; L489-V535 HydrophobicContact CD2-CG1 3.9Å; L489-V535 HydrophobicContact CD2-CG2 3.69Å |
| 490 | D | 90.7 | Very high | 90.6 | Very high | 111 Ų | 111 | 55.6 Ų | 55.6 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | trans | -78 | 127.4 | 166.3 | -62.8 | -40.1 | 0 | 0 | 0 | 108.2 | K380 T533 D534 | K380-D490 IonicContact NZ-OD2 3.88Å; D490-T533 VanDerWaalsContact O-CA 3.23Å; D490-T533 WeakPolarHBondContact O-CA 3.35Å; D490-D534 PolarHBondContact N-OD2 2.92Å; D490-D534 PolarHBondContact O-N 2.9Å | ||
| 491 | V | 90.1 | Very high | 90.5 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 35% | 0.345 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.7 | -174.2 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | I483 F493 V531 T533 | I483-V491 HydrophobicContact CD1-CB 4.43Å; I483-V491 HydrophobicContact CD1-CG1 3.44Å; I483-V491 VanDerWaalsContact CD1-CG1 3.44Å; I483-V491 HydrophobicContact CD1-CG2 4.14Å; V491-F493 HydrophobicContact CG1-CD2 4.25Å; V491-F493 HydrophobicContact CG1-CE2 3.66Å; V491-F493 HydrophobicContact CG1-CZ 4.01Å; V491-V531 HydrophobicContact CG1-CG1 3.95Å; V491-T533 HydrophobicContact CG2-CG2 4.21Å |
| 492 | S | 90 | Very high | 90.2 | Very high | 65 Ų | 65 | 63 Ų | 63 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.6 | 170.3 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | V531 D532 | S492-V531 WeakPolarHBondContact O-CA 3.41Å; S492-D532 PolarHBondContact N-O 3.06Å; S492-D532 PolarHBondContact O-N 2.87Å; S492-D532 PolarHBondContact OG-O 2.81Å |
| 493 | F | 89 | Confident | 89.1 | Confident | 68 Ų | 68 | 67.2 Ų | 67.2 | 30% | 0.298 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.4 | -179.9 | -65.8 | -94.3 | 0 | 0 | 0 | 109.9 | C481 I483 V491 V530 V531 | C481-F493 WeakPolarHBondContact O-CE1 2.94Å; I483-F493 HydrophobicContact CD1-CE1 4.43Å; I483-F493 HydrophobicContact CD1-CZ 3.83Å; I483-F493 HydrophobicContact CG1-CZ 3.98Å; I483-F493 HydrophobicContact CG2-CE1 4.04Å; I483-F493 HydrophobicContact CG2-CZ 4.33Å; V491-F493 HydrophobicContact CG1-CD2 4.25Å; V491-F493 HydrophobicContact CG1-CE2 3.66Å; V491-F493 HydrophobicContact CG1-CZ 4.01Å; F493-V530 WeakPolarHBondContact CA-O 3.42Å; F493-V531 HydrophobicContact CD1-CG1 4.47Å; F493-V531 HydrophobicContact CD1-CG2 3.77Å; F493-V531 HydrophobicContact CE1-CG1 4.19Å; F493-V531 HydrophobicContact CE1-CG2 3.74Å |
| 494 | S | 90.2 | Very high | 87.6 | Confident | 37 Ų | 37 | 69.9 Ų | 69.9 | 26% | 0.259 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 150.7 | 168.5 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | V530 | S494-V530 PolarHBondContact N-O 2.9Å; S494-V530 PolarHBondContact O-N 2.91Å |
| 495 | W | 91.5 | Very high | 85.8 | Confident | 12 Ų | 12 | 76 Ų | 76 | 5% | 0.045 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 145 | 177 | -79.7 | 87.6 | 0 | 0 | 0 | 110.9 | P466 L479 C481 I502 G512 L514 V528 C529 | P466-W495 HydrophobicContact CB-CH2 4.11Å; P466-W495 HydrophobicContact CG-CH2 3.96Å; P466-W495 HydrophobicContact CG-CZ3 4.41Å; L479-W495 HydrophobicContact CB-CH2 3.66Å; L479-W495 HydrophobicContact CB-CZ2 4.21Å; L479-W495 HydrophobicContact CB-CZ3 4.27Å; L479-W495 HydrophobicContact CD1-CH2 4.44Å; L479-W495 HydrophobicContact CD1-CZ3 4.21Å; L479-W495 WeakPolarHBondContact O-CZ2 3.26Å; C481-W495 HydrophobicContact CB-CH2 4.32Å; C481-W495 HydrophobicContact CB-CZ2 3.55Å; W495-I502 HydrophobicContact CB-CD1 3.99Å; W495-I502 HydrophobicContact CB-CG1 4.46Å; W495-I502 PolarHBondContact O-N 2.96Å; W495-G512 PolarHBondContact NE1-O 2.82Å; W495-L514 HydrophobicContact CB-CD2 4.16Å; W495-L514 HydrophobicContact CD2-CB 3.68Å; W495-L514 HydrophobicContact CD2-CD2 3.62Å; W495-L514 HydrophobicContact CD2-CG 4.24Å; W495-L514 HydrophobicContact CE3-CB 4.25Å; W495-L514 HydrophobicContact CE3-CD2 3.6Å; W495-L514 HydrophobicContact CG-CB 4.03Å; W495-L514 HydrophobicContact CG-CD2 3.9Å; W495-L514 HydrophobicContact CG-CG 4.42Å; W495-L514 HydrophobicContact CH2-CB 4.21Å; W495-L514 HydrophobicContact CZ2-CB 3.62Å; W495-L514 HydrophobicContact CZ3-CD2 4.17Å; W495-V528 CarbonylContact C-O 3.4Å; W495-V528 VanDerWaalsContact CA-O 3.27Å; W495-V528 WeakPolarHBondContact CA-O 3.39Å; W495-V528 VanDerWaalsContact CE3-C 3.48Å; W495-C529 HydrophobicContact CD2-CB 3.89Å; W495-C529 HydrophobicContact CE3-CB 4Å; W495-C529 HydrophobicContact CH2-CB 3.76Å; W495-C529 HydrophobicContact CZ2-CB 3.63Å; W495-C529 HydrophobicContact CZ3-CB 3.92Å |
| 496 | A | 91.1 | Very high | 84 | Confident | 13 Ų | 13 | 85 Ų | 85 | 11% | 0.107 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q500 Y527 V528 | A496-Q500 CarbonylContact C-O 3.54Å; A496-Q500 WeakPolarHBondContact CA-O 3.37Å; A496-Y527 CarbonylContact O-C 3.51Å; A496-Y527 WeakPolarHBondContact O-CA 3.25Å; A496-V528 HydrophobicContact CB-CB 4.44Å; A496-V528 PolarHBondContact N-O 3.02Å; A496-V528 PolarHBondContact O-N 3.16Å |
| 497 | F | 92 | Very high | 81.8 | Confident | 46 Ų | 46 | 90.7 Ų | 90.7 | 20% | 0.202 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.6 | 173 | 173.4 | -114.8 | 0 | 0 | 0 | 109.5 | G499 Q500 I502 G524 K526 Y527 | F497-G499 PolarHBondContact O-N 2.87Å; F497-Q500 PolarHBondContact N-O 2.84Å; F497-Q500 PolarHBondContact O-N 2.92Å; F497-I502 HydrophobicContact CB-CD1 3.76Å; F497-I502 HydrophobicContact CB-CG1 3.87Å; F497-G524 WeakPolarHBondContact CZ-O 3.42Å; F497-K526 WeakPolarHBondContact CA-O 3.49Å; F497-Y527 HydrophobicContact CB-CD1 4.28Å; F497-Y527 HydrophobicContact CB-CE1 4.04Å; F497-Y527 HydrophobicContact CD2-CD1 4.06Å; F497-Y527 HydrophobicContact CD2-CD2 4.07Å; F497-Y527 AromaticContact CD2-CE1 3.57Å; F497-Y527 HydrophobicContact CD2-CE1 3.57Å; F497-Y527 AromaticContact CD2-CE2 3.57Å; F497-Y527 HydrophobicContact CD2-CE2 3.57Å; F497-Y527 HydrophobicContact CD2-CG 4.3Å; F497-Y527 AromaticContact CD2-CZ 3.3Å; F497-Y527 HydrophobicContact CE2-CD2 4.46Å; F497-Y527 HydrophobicContact CE2-CE1 4.35Å; F497-Y527 AromaticContact CE2-CE2 3.69Å; F497-Y527 HydrophobicContact CE2-CE2 3.69Å; F497-Y527 AromaticContact CE2-CZ 3.63Å; F497-Y527 HydrophobicContact CG-CE1 4.1Å |
| 498 | N | 88.5 | Confident | 79.9 | Confident | 99 Ų | 99 | 89.2 Ų | 89.2 | 53% | 0.529 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 35 | -177.9 | -68 | -23.3 | 0 | 0 | 0 | 113.7 | K526 | N498-K526 PolarHBondContact N-O 2.85Å; N498-K526 PolarHBondContact OD1-N 2Å |
| 499 | G | 86.3 | Confident | 78.2 | Confident | 71 Ų | 71 | 90.3 Ų | 90.3 | 73% | 0.732 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | -4.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F497 | F497-G499 PolarHBondContact O-N 2.87Š|
| 500 | Q | 89.1 | Confident | 76.4 | Confident | 152 Ų | 152 | 96.4 Ų | 96.4 | 71% | 0.71 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129 | 173.2 | -68.2 | -173.7 | -16.2 | 0 | 0 | 110.6 | A496 F497 I502 | A496-Q500 CarbonylContact C-O 3.54Å; A496-Q500 WeakPolarHBondContact CA-O 3.37Å; F497-Q500 PolarHBondContact N-O 2.84Å; F497-Q500 PolarHBondContact O-N 2.92Å; Q500-I502 PolarHBondContact O-N 2.94Å |
| 501 | L | 88.6 | Confident | 75.3 | Confident | 132 Ų | 132 | 94 Ų | 94 | 69% | 0.691 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 133 | 173.3 | -77.7 | 168.4 | 0 | 0 | 0 | 109.6 | ||
| 502 | I | 85 | Confident | 74.9 | Confident | 48 Ų | 48 | 91.3 Ų | 91.3 | 25% | 0.246 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 121.3 | 177.9 | -39.9 | 172.4 | 0 | 0 | 0 | 108 | W495 F497 Q500 F504 L514 Y527 | W495-I502 HydrophobicContact CB-CD1 3.99Å; W495-I502 HydrophobicContact CB-CG1 4.46Å; W495-I502 PolarHBondContact O-N 2.96Å; F497-I502 HydrophobicContact CB-CD1 3.76Å; F497-I502 HydrophobicContact CB-CG1 3.87Å; Q500-I502 PolarHBondContact O-N 2.94Å; I502-F504 HydrophobicContact CB-CD2 4.12Å; I502-F504 HydrophobicContact CB-CE2 3.81Å; I502-F504 HydrophobicContact CD1-CE2 4.21Å; I502-F504 HydrophobicContact CG2-CD2 3.6Å; I502-F504 HydrophobicContact CG2-CE1 4.27Å; I502-F504 HydrophobicContact CG2-CE2 3.08Å; I502-F504 HydrophobicContact CG2-CG 4.39Å; I502-F504 HydrophobicContact CG2-CZ 3.48Å; I502-F504 VanDerWaalsContact CG2-CZ 3.48Å; I502-L514 HydrophobicContact CD1-CD2 4.04Å; I502-Y527 HydrophobicContact CD1-CD1 4.07Å; I502-Y527 HydrophobicContact CD1-CE1 4.08Å |
| 503 | D | 67.9 | Low | 74.8 | Confident | 161 Ų | 161 | 89.3 Ų | 89.3 | 86% | 0.861 | 47% | 0.471 | S | S | * | . | trans | -94 | 98.7 | 177.1 | -171.3 | 14 | 0 | 0 | 0 | 109.3 | ||||
| 504 | F | 61.9 | Low | 74.7 | Confident | 93 Ų | 93 | 86.4 Ų | 86.4 | 41% | 0.408 | 46% | 0.459 | S | S | . | . | trans | -105.4 | 144.1 | 171.1 | -69.3 | -71.3 | 0 | 0 | 0 | 110.3 | I502 R506 L514 | I502-F504 HydrophobicContact CB-CD2 4.12Å; I502-F504 HydrophobicContact CB-CE2 3.81Å; I502-F504 HydrophobicContact CD1-CE2 4.21Å; I502-F504 HydrophobicContact CG2-CD2 3.6Å; I502-F504 HydrophobicContact CG2-CE1 4.27Å; I502-F504 HydrophobicContact CG2-CE2 3.08Å; I502-F504 HydrophobicContact CG2-CG 4.39Å; I502-F504 HydrophobicContact CG2-CZ 3.48Å; I502-F504 VanDerWaalsContact CG2-CZ 3.48Å; F504-R506 PolarHBondContact O-N 2.86Å; F504-L514 HydrophobicContact CD2-CD1 4.02Å; F504-L514 HydrophobicContact CE2-CD1 3.33Å; F504-L514 HydrophobicContact CZ-CD1 3.97Å | ||
| 505 | Q | 54.8 | Low | 74.6 | Confident | 181 Ų | 181 | 88.1 Ų | 88.1 | 85% | 0.846 | 46% | 0.464 | S | S | * | . | trans | -56.6 | 134.6 | 168.5 | -73.8 | -175.8 | -39 | 0 | 0 | 109.6 | D507 | Q505-D507 PolarHBondContact O-N 2.77Š| ||
| 506 | R | 52.7 | Low | 74.3 | Confident | 228 Ų | 228 | 88.2 Ų | 88.2 | 86% | 0.86 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -53.4 | -8.8 | -169.3 | -82.3 | -178.2 | -178.6 | 175.2 | -0.2 | 117.2 | F504 T509 | F504-R506 PolarHBondContact O-N 2.86Å; R506-T509 PolarHBondContact O-OG1 2.84Å |
| 507 | D | 47.7 | Very low | 74.1 | Confident | 151 Ų | 151 | 94.8 Ų | 94.8 | 81% | 0.807 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -82.4 | -13.7 | -171.6 | -79.3 | -21.6 | 0 | 0 | 0 | 114.8 | Q505 | Q505-D507 PolarHBondContact O-N 2.77Š|
| 508 | D | 50.2 | Low | 73.8 | Confident | 101 Ų | 101 | 97.2 Ų | 97.2 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -99.4 | -2 | -179.7 | -78.4 | -35.2 | 0 | 0 | 0 | 114.7 | ||
| 509 | T | 52.6 | Low | 73.7 | Confident | 60 Ų | 60 | 92.5 Ų | 92.5 | 37% | 0.368 | 48% | 0.477 | S | S | . | . | trans | -109 | 16.6 | -167.9 | 53.7 | 0 | 0 | 0 | 0 | 116.1 | R506 S511 G512 | R506-T509 PolarHBondContact O-OG1 2.84Å; T509-S511 PolarHBondContact O-N 3.37Å; T509-S511 VanDerWaalsContact O-N 3.1Å; T509-G512 PolarHBondContact O-N 2.91Å | ||
| 510 | V | 54.7 | Low | 73.6 | Confident | 139 Ų | 139 | 92.6 Ų | 92.6 | 84% | 0.842 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -21 | -172.8 | -175.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 511 | S | 67.7 | Low | 73.2 | Confident | 60 Ų | 60 | 90.6 Ų | 90.6 | 42% | 0.42 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 1.7 | 178.6 | 68.7 | 0 | 0 | 0 | 0 | 115.6 | T509 D513 | T509-S511 PolarHBondContact O-N 3.37Å; T509-S511 VanDerWaalsContact O-N 3.1Å; S511-D513 PolarHBondContact O-N 3.21Å; S511-D513 WeakPolarHBondContact OG-CB 3.44Å; S511-D513 VanDerWaalsContact OG-CG 3.26Å; S511-D513 PolarHBondContact OG-OD2 3.2Å |
| 512 | G | 80.3 | Confident | 72.9 | Confident | 1 Ų | 1 | 88.4 Ų | 88.4 | 1% | 0.01 | 45% | 0.448 | C | S | . | . | S | Bend | trans | 77 | -14.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | C481 W495 T509 | C481-G512 WeakPolarHBondContact CB-O 3.1Å; W495-G512 PolarHBondContact NE1-O 2.82Å; T509-G512 PolarHBondContact O-N 2.91Å |
| 513 | D | 88.4 | Confident | 73 | Confident | 22 Ų | 22 | 89 Ų | 89 | 12% | 0.118 | 45% | 0.449 | C | S | . | . | trans | -71.3 | 144.8 | 178.2 | -53.9 | -40.7 | 0 | 0 | 0 | 111.7 | V478 L479 P480 C481 Q482 S511 | V478-D513 HydrophobicContact CG1-CB 3.69Å; L479-D513 WeakPolarHBondContact O-CA 3.32Å; P480-D513 WeakPolarHBondContact CA-OD1 3.27Å; C481-D513 PolarHBondContact N-OD1 2.81Å; Q482-D513 WeakPolarHBondContact CG-OD1 3.31Å; Q482-D513 PolarHBondContact NE2-OD2 3.42Å; S511-D513 PolarHBondContact O-N 3.21Å; S511-D513 WeakPolarHBondContact OG-CB 3.44Å; S511-D513 VanDerWaalsContact OG-CG 3.26Å; S511-D513 PolarHBondContact OG-OD2 3.2Å | ||
| 514 | L | 88 | Confident | 74 | Confident | 8 Ų | 8 | 82.6 Ų | 82.6 | 4% | 0.042 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 112.4 | 178.4 | 169.3 | 62.3 | 0 | 0 | 0 | 111.1 | V478 L479 W495 I502 F504 I516 Y527 | V478-L514 CarbonylContact C-O 3.54Å; V478-L514 WeakPolarHBondContact CA-O 3.46Å; L479-L514 HydrophobicContact CB-CB 4.22Å; L479-L514 HydrophobicContact CD1-CD2 4.1Å; L479-L514 PolarHBondContact N-O 2.9Å; L479-L514 PolarHBondContact O-N 2.86Å; W495-L514 HydrophobicContact CB-CD2 4.16Å; W495-L514 HydrophobicContact CD2-CB 3.68Å; W495-L514 HydrophobicContact CD2-CD2 3.62Å; W495-L514 HydrophobicContact CD2-CG 4.24Å; W495-L514 HydrophobicContact CE3-CB 4.25Å; W495-L514 HydrophobicContact CE3-CD2 3.6Å; W495-L514 HydrophobicContact CG-CB 4.03Å; W495-L514 HydrophobicContact CG-CD2 3.9Å; W495-L514 HydrophobicContact CG-CG 4.42Å; W495-L514 HydrophobicContact CH2-CB 4.21Å; W495-L514 HydrophobicContact CZ2-CB 3.62Å; W495-L514 HydrophobicContact CZ3-CD2 4.17Å; I502-L514 HydrophobicContact CD1-CD2 4.04Å; F504-L514 HydrophobicContact CD2-CD1 4.02Å; F504-L514 HydrophobicContact CE2-CD1 3.33Å; F504-L514 HydrophobicContact CZ-CD1 3.97Å; L514-I516 HydrophobicContact CD2-CD1 4.35Å; L514-I516 HydrophobicContact CD2-CG1 4.36Å; L514-I516 HydrophobicContact CG-CG1 4.08Å; L514-Y527 HydrophobicContact CD2-CD1 3.63Å; L514-Y527 HydrophobicContact CD2-CE1 4.07Å |
| 515 | M | 86.6 | Confident | 75.2 | Confident | 72 Ų | 72 | 78.9 Ų | 78.9 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125.6 | 172.6 | -168.9 | 175.4 | -164.7 | 0 | 0 | 111.1 | I477 V478 R517 | I477-M515 CarbonylContact O-C 3.44Å; I477-M515 WeakPolarHBondContact O-CA 3.25Å; V478-M515 HydrophobicContact CG2-CB 4.26Å; V478-M515 HydrophobicContact CG2-CG 4.03Å; M515-R517 HydrophobicContact CE-CG 4.05Å; M515-R517 HydrophobicContact CG-CG 4.08Å; M515-R517 HydrophobicContact SD-CG 4.21Å; M515-R517 PolarHBondContact SD-NE 2.66Å; M515-R517 PolarHBondContact SD-NH2 2.89Å |
| 516 | I | 87 | Confident | 77 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 7% | 0.072 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114.2 | 174.3 | -53.3 | 171.7 | 0 | 0 | 0 | 107.4 | S476 I477 L479 L514 I519 Y527 L544 | S476-I516 CarbonylContact C-O 3.56Å; S476-I516 VanDerWaalsContact CA-O 3.22Å; S476-I516 WeakPolarHBondContact CA-O 3.39Å; I477-I516 HydrophobicContact CD1-CD1 4.36Å; I477-I516 HydrophobicContact CG1-CB 4.11Å; I477-I516 HydrophobicContact CG1-CD1 4.47Å; I477-I516 PolarHBondContact N-O 3.12Å; I477-I516 PolarHBondContact O-N 2.91Å; L479-I516 HydrophobicContact CD1-CD1 3.77Å; L479-I516 HydrophobicContact CG-CD1 4.47Å; L514-I516 HydrophobicContact CD2-CD1 4.35Å; L514-I516 HydrophobicContact CD2-CG1 4.36Å; L514-I516 HydrophobicContact CG-CG1 4.08Å; I516-I519 HydrophobicContact CB-CG1 4.4Å; I516-I519 HydrophobicContact CG2-CG1 3.76Å; I516-Y527 HydrophobicContact CD1-CD1 4.18Å; I516-Y527 HydrophobicContact CD1-CE1 3.56Å; I516-Y527 HydrophobicContact CD1-CE2 4.09Å; I516-Y527 VanDerWaalsContact CD1-CZ 3.5Å; I516-L544 HydrophobicContact CD1-CD2 4.26Å |
| 517 | R | 86.2 | Confident | 79 | Confident | 152 Ų | 152 | 64.8 Ų | 64.8 | 57% | 0.574 | 35% | 0.351 | S | S | * | . | trans | -99.6 | 151.2 | -178.7 | -59.8 | -174.7 | -174.5 | -166.2 | 5.6 | 111.7 | S476 M515 I519 | S476-R517 WeakPolarHBondContact OG-CA 3.37Å; M515-R517 HydrophobicContact CE-CG 4.05Å; M515-R517 HydrophobicContact CG-CG 4.08Å; M515-R517 HydrophobicContact SD-CG 4.21Å; M515-R517 PolarHBondContact SD-NE 2.66Å; M515-R517 PolarHBondContact SD-NH2 2.89Å; R517-I519 PolarHBondContact O-N 2.9Å | ||
| 518 | N | 86.1 | Confident | 81.2 | Confident | 96 Ų | 96 | 59.1 Ų | 59.1 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 47.8 | 57.6 | 174 | -173.6 | 27.5 | 0 | 0 | 0 | 112.8 | E475 S476 Q520 | E475-N518 PolarHBondContact O-N 3.38Å; S476-N518 PolarHBondContact OG-N 2.65Å; S476-N518 VanDerWaalsContact OG-N 3.17Å; N518-Q520 PolarHBondContact O-N 2.7Å; N518-Q520 PolarHBondContact O-NE2 2.87Å; N518-Q520 PolarHBondContact OD1-NE2 2.87Å |
| 519 | I | 86.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -58 | 130.8 | -170.1 | -69.9 | 160.1 | 0 | 0 | 0 | 111 | I471 V473 G474 E475 I477 I516 R517 H523 V546 | I471-I519 HydrophobicContact CB-CD1 4.46Å; I471-I519 HydrophobicContact CG2-CD1 3.56Å; I471-I519 HydrophobicContact CG2-CG2 4.43Å; V473-I519 CarbonylContact C-O 3.57Å; V473-I519 VanDerWaalsContact CA-O 3.29Å; V473-I519 WeakPolarHBondContact CA-O 3.21Å; V473-I519 WeakPolarHBondContact CG1-O 3.32Å; G474-I519 PolarHBondContact N-O 3.37Å; E475-I519 WeakPolarHBondContact O-CB 3.4Å; E475-I519 WeakPolarHBondContact O-CD1 3.45Å; E475-I519 WeakPolarHBondContact O-CG1 3.25Å; E475-I519 PolarHBondContact O-N 2.77Å; I477-I519 HydrophobicContact CB-CD1 4.19Å; I477-I519 HydrophobicContact CD1-CD1 3.92Å; I477-I519 HydrophobicContact CG1-CD1 3.75Å; I477-I519 HydrophobicContact CG2-CD1 3.72Å; I516-I519 HydrophobicContact CB-CG1 4.4Å; I516-I519 HydrophobicContact CG2-CG1 3.76Å; R517-I519 PolarHBondContact O-N 2.9Å; I519-H523 HydrophobicContact CG2-CB 4.39Å; I519-V546 HydrophobicContact CG2-CB 4.27Å; I519-V546 HydrophobicContact CG2-CG1 3.7Å; I519-V546 HydrophobicContact CG2-CG2 3.48Å; I519-V546 VanDerWaalsContact CG2-CG2 3.48Å | ||
| 520 | Q | 84.6 | Confident | 85.2 | Confident | 73 Ų | 73 | 53 Ų | 53 | 34% | 0.341 | 29% | 0.288 | S | S | . | . | trans | -110.7 | 162.9 | 175.4 | -60.4 | -56.9 | -47.1 | 0 | 0 | 109.9 | N518 S522 H523 | N518-Q520 PolarHBondContact O-N 2.7Å; N518-Q520 PolarHBondContact O-NE2 2.87Å; N518-Q520 PolarHBondContact OD1-NE2 2.87Å; Q520-S522 PolarHBondContact O-N 2.85Å; Q520-S522 VanDerWaalsContact O-N 3.12Å; Q520-H523 PolarHBondContact N-ND1 2.77Å; Q520-H523 VanDerWaalsContact N-ND1 3.18Å; Q520-H523 WeakPolarHBondContact O-CB 3.31Å; Q520-H523 PolarHBondContact O-N 2.97Å | ||
| 521 | L | 79.9 | Confident | 87 | Confident | 111 Ų | 111 | 46.5 Ų | 46.5 | 58% | 0.581 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -54.3 | -33.5 | 176.3 | -69.7 | 170.8 | 0 | 0 | 0 | 112.4 | V473 H523 G524 V546 | V473-L521 HydrophobicContact CG2-CD2 3.98Å; V473-L521 HydrophobicContact CG2-CG 3.86Å; L521-H523 PolarHBondContact O-N 2.97Å; L521-G524 PolarHBondContact O-N 3.45Å; L521-V546 HydrophobicContact CD2-CB 4.42Å; L521-V546 HydrophobicContact CD2-CG1 4.13Å; L521-V546 WeakPolarHBondContact CD2-O 3.11Å |
| 522 | S | 82.4 | Confident | 88.1 | Confident | 86 Ų | 86 | 46.5 Ų | 46.5 | 60% | 0.601 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -67.6 | -15.9 | 177.1 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | Q520 G524 | Q520-S522 PolarHBondContact O-N 2.85Å; Q520-S522 VanDerWaalsContact O-N 3.12Å; S522-G524 VanDerWaalsContact C-N 3.27Å |
| 523 | H | 87.4 | Confident | 88.7 | Confident | 60 Ų | 60 | 47.4 Ų | 47.4 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -84.6 | -2 | 175.7 | -57.1 | 158.7 | 0 | 0 | 0 | 112.1 | I519 Q520 L521 G525 Y527 | I519-H523 HydrophobicContact CG2-CB 4.39Å; Q520-H523 PolarHBondContact N-ND1 2.77Å; Q520-H523 VanDerWaalsContact N-ND1 3.18Å; Q520-H523 WeakPolarHBondContact O-CB 3.31Å; Q520-H523 PolarHBondContact O-N 2.97Å; L521-H523 PolarHBondContact O-N 2.97Å; H523-G525 PolarHBondContact O-N 2.91Å; H523-Y527 WeakPolarHBondContact O-CE2 3.19Å; H523-Y527 PolarHBondContact O-OH 3.26Å |
| 524 | G | 87.3 | Confident | 88.8 | Confident | 27 Ų | 27 | 50.2 Ų | 50.2 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | trans | -66.5 | 130.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F497 L521 S522 L544 | F497-G524 WeakPolarHBondContact CZ-O 3.42Å; L521-G524 PolarHBondContact O-N 3.45Å; S522-G524 VanDerWaalsContact C-N 3.27Å; G524-L544 CarbonylContact C-O 2.92Å; G524-L544 VanDerWaalsContact CA-O 3.29Å; G524-L544 WeakPolarHBondContact CA-O 3.17Å | ||
| 525 | G | 88.3 | Confident | 88.9 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157 | -170.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H523 I543 L544 | H523-G525 PolarHBondContact O-N 2.91Å; G525-I543 WeakPolarHBondContact O-CA 3.46Å; G525-L544 PolarHBondContact N-O 2.92Å; G525-L544 PolarHBondContact O-N 2.88Å |
| 526 | K | 93.3 | Very high | 89.1 | Confident | 104 Ų | 104 | 49.6 Ų | 49.6 | 45% | 0.452 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.4 | -179 | -175 | 179 | -180 | 179.9 | 0 | 110.3 | F497 N498 V528 S541 A542 | F497-K526 WeakPolarHBondContact CA-O 3.49Å; N498-K526 PolarHBondContact N-O 2.85Å; N498-K526 PolarHBondContact OD1-N 2Å; K526-V528 HydrophobicContact CD-CG2 4.43Å; K526-V528 HydrophobicContact CG-CG2 4.28Å; K526-S541 WeakPolarHBondContact CE-OG 3.46Å; K526-A542 WeakPolarHBondContact CA-O 3.35Å |
| 527 | Y | 93.8 | Very high | 89.4 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.2 | 173.1 | -69.4 | -94.1 | 0 | 0 | 0 | 109.7 | L479 A496 F497 I502 L514 I516 H523 S541 A542 L544 | L479-Y527 HydrophobicContact CD1-CD1 4.01Å; L479-Y527 HydrophobicContact CD1-CD2 4.03Å; L479-Y527 HydrophobicContact CD1-CG 3.65Å; A496-Y527 CarbonylContact O-C 3.51Å; A496-Y527 WeakPolarHBondContact O-CA 3.25Å; F497-Y527 HydrophobicContact CB-CD1 4.28Å; F497-Y527 HydrophobicContact CB-CE1 4.04Å; F497-Y527 HydrophobicContact CD2-CD1 4.06Å; F497-Y527 HydrophobicContact CD2-CD2 4.07Å; F497-Y527 AromaticContact CD2-CE1 3.57Å; F497-Y527 HydrophobicContact CD2-CE1 3.57Å; F497-Y527 AromaticContact CD2-CE2 3.57Å; F497-Y527 HydrophobicContact CD2-CE2 3.57Å; F497-Y527 HydrophobicContact CD2-CG 4.3Å; F497-Y527 AromaticContact CD2-CZ 3.3Å; F497-Y527 HydrophobicContact CE2-CD2 4.46Å; F497-Y527 HydrophobicContact CE2-CE1 4.35Å; F497-Y527 AromaticContact CE2-CE2 3.69Å; F497-Y527 HydrophobicContact CE2-CE2 3.69Å; F497-Y527 AromaticContact CE2-CZ 3.63Å; F497-Y527 HydrophobicContact CG-CE1 4.1Å; I502-Y527 HydrophobicContact CD1-CD1 4.07Å; I502-Y527 HydrophobicContact CD1-CE1 4.08Å; L514-Y527 HydrophobicContact CD2-CD1 3.63Å; L514-Y527 HydrophobicContact CD2-CE1 4.07Å; I516-Y527 HydrophobicContact CD1-CD1 4.18Å; I516-Y527 HydrophobicContact CD1-CE1 3.56Å; I516-Y527 HydrophobicContact CD1-CE2 4.09Å; I516-Y527 VanDerWaalsContact CD1-CZ 3.5Å; H523-Y527 WeakPolarHBondContact O-CE2 3.19Å; H523-Y527 PolarHBondContact O-OH 3.26Å; Y527-S541 CarbonylContact O-C 3.45Å; Y527-S541 WeakPolarHBondContact O-CA 3.34Å; Y527-S541 VanDerWaalsContact O-CB 3.27Å; Y527-S541 WeakPolarHBondContact O-CB 3.05Å; Y527-A542 PolarHBondContact N-O 2.76Å; Y527-A542 PolarHBondContact O-N 2.82Å; Y527-L544 HydrophobicContact CD2-CB 4.1Å; Y527-L544 HydrophobicContact CE2-CB 3.84Å; Y527-L544 HydrophobicContact CE2-CD2 4Å |
| 528 | V | 94.9 | Very high | 89.8 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.9 | 179 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | W495 A496 K526 V530 T540 | W495-V528 CarbonylContact C-O 3.4Å; W495-V528 VanDerWaalsContact CA-O 3.27Å; W495-V528 WeakPolarHBondContact CA-O 3.39Å; W495-V528 VanDerWaalsContact CE3-C 3.48Å; A496-V528 HydrophobicContact CB-CB 4.44Å; A496-V528 PolarHBondContact N-O 3.02Å; A496-V528 PolarHBondContact O-N 3.16Å; K526-V528 HydrophobicContact CD-CG2 4.43Å; K526-V528 HydrophobicContact CG-CG2 4.28Å; V528-V530 HydrophobicContact CG1-CG2 4.21Å; V528-T540 CarbonylContact C-O 3.55Å; V528-T540 WeakPolarHBondContact CA-O 3.49Å |
| 529 | C | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131 | 166.8 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | C481 W495 S539 T540 | C481-C529 HydrophobicContact CB-CB 3.68Å; C481-C529 WeakPolarHBondContact CB-SG 3.3Å; C481-C529 WeakPolarHBondContact SG-CB 3.4Å; C481-C529 CovalentContact SG-SG 2.03Å; C481-C529 PolarHBondContact SG-SG 2.96Å; W495-C529 HydrophobicContact CD2-CB 3.89Å; W495-C529 HydrophobicContact CE3-CB 4Å; W495-C529 HydrophobicContact CH2-CB 3.76Å; W495-C529 HydrophobicContact CZ2-CB 3.63Å; W495-C529 HydrophobicContact CZ3-CB 3.92Å; C529-S539 CarbonylContact O-C 3.59Å; C529-S539 WeakPolarHBondContact O-CA 3.39Å; C529-S539 WeakPolarHBondContact O-CB 3.11Å; C529-T540 HydrophobicContact CB-CG2 3.98Å; C529-T540 PolarHBondContact N-O 2.86Å; C529-T540 PolarHBondContact O-N 3.3Å |
| 530 | V | 92.8 | Very high | 90.6 | Very high | 33 Ų | 33 | 47.6 Ų | 47.6 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.8 | 172.6 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | F493 S494 V528 L538 | F493-V530 WeakPolarHBondContact CA-O 3.42Å; S494-V530 PolarHBondContact N-O 2.9Å; S494-V530 PolarHBondContact O-N 2.91Å; V528-V530 HydrophobicContact CG1-CG2 4.21Å; V530-L538 CarbonylContact C-O 3.49Å; V530-L538 WeakPolarHBondContact CA-O 3.49Å |
| 531 | V | 92.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.8 | 178.3 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | I483 V491 S492 F493 S537 L538 | I483-V531 HydrophobicContact CD1-CG1 3.74Å; I483-V531 HydrophobicContact CG2-CB 4.46Å; I483-V531 HydrophobicContact CG2-CG1 4.04Å; I483-V531 HydrophobicContact CG2-CG2 3.86Å; V491-V531 HydrophobicContact CG1-CG1 3.95Å; S492-V531 WeakPolarHBondContact O-CA 3.41Å; F493-V531 HydrophobicContact CD1-CG1 4.47Å; F493-V531 HydrophobicContact CD1-CG2 3.77Å; F493-V531 HydrophobicContact CE1-CG1 4.19Å; F493-V531 HydrophobicContact CE1-CG2 3.74Å; V531-S537 CarbonylContact O-C 3.51Å; V531-S537 WeakPolarHBondContact O-CA 3.35Å; V531-L538 PolarHBondContact N-O 2.92Å; V531-L538 PolarHBondContact O-N 3.23Å |
| 532 | D | 92.1 | Very high | 91.7 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.9 | 179 | -70.2 | -58.6 | 0 | 0 | 0 | 110.2 | S492 S537 | S492-D532 PolarHBondContact N-O 3.06Å; S492-D532 PolarHBondContact O-N 2.87Å; S492-D532 PolarHBondContact OG-O 2.81Å; D532-S537 WeakPolarHBondContact OD1-CB 3.35Å; D532-S537 PolarHBondContact OD1-OG 3.17Å |
| 533 | T | 92.5 | Very high | 92.1 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 172.4 | 172.1 | 71 | 0 | 0 | 0 | 0 | 110.9 | T460 L489 D490 V491 V535 E536 | T460-T533 HydrophobicContact CG2-CG2 4.36Å; L489-T533 HydrophobicContact CD1-CG2 4.42Å; D490-T533 VanDerWaalsContact O-CA 3.23Å; D490-T533 WeakPolarHBondContact O-CA 3.35Å; V491-T533 HydrophobicContact CG2-CG2 4.21Å; T533-V535 PolarHBondContact O-N 2.92Å; T533-V535 PolarHBondContact OG1-N 3.23Å; T533-E536 PolarHBondContact N-O 3.39Å; T533-E536 WeakPolarHBondContact OG1-CG 3.24Å; T533-E536 PolarHBondContact OG1-N 2.8Å; T533-E536 PolarHBondContact OG1-O 2.87Å |
| 534 | D | 89.3 | Confident | 92.4 | Very high | 82 Ų | 82 | 38.6 Ų | 38.6 | 44% | 0.439 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -56.1 | -19.2 | 174 | -64.9 | -45.2 | 0 | 0 | 0 | 115.2 | K380 L489 D490 | K380-D534 HydrophobicContact CD-CB 4.21Å; K380-D534 IonicContact NZ-OD2 2.7Å; K380-D534 PolarHBondContact NZ-OD2 3.14Å; L489-D534 HydrophobicContact CD2-CB 4.16Å; D490-D534 PolarHBondContact N-OD2 2.92Å; D490-D534 PolarHBondContact O-N 2.9Å |
| 535 | V | 91.8 | Very high | 92.4 | Very high | 42 Ų | 42 | 40.4 Ų | 40.4 | 26% | 0.255 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -127.1 | -17.7 | -170.3 | -58.8 | 0 | 0 | 0 | 0 | 114.5 | K380 R382 L489 T533 | K380-V535 HydrophobicContact CB-CG1 3.62Å; K380-V535 WeakPolarHBondContact O-CG1 3.4Å; R382-V535 HydrophobicContact CB-CG2 4.27Å; L489-V535 HydrophobicContact CD1-CG2 4.03Å; L489-V535 HydrophobicContact CD2-CB 4.41Å; L489-V535 HydrophobicContact CD2-CG1 3.9Å; L489-V535 HydrophobicContact CD2-CG2 3.69Å; T533-V535 PolarHBondContact O-N 2.92Å; T533-V535 PolarHBondContact OG1-N 3.23Å |
| 536 | E | 89.9 | Confident | 92.4 | Very high | 24 Ų | 24 | 40.7 Ų | 40.7 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | trans | -158.3 | 160.5 | -176.2 | 65.8 | -175.5 | 158.4 | 0 | 0 | 113.2 | R382 T460 T533 | R382-E536 VanDerWaalsContact CD-OE2 3.23Å; R382-E536 WeakPolarHBondContact CD-OE2 3.38Å; R382-E536 IonicContact CZ-OE2 3.8Å; R382-E536 VanDerWaalsContact CZ-OE2 3.28Å; R382-E536 IonicContact NE-OE2 3.15Å; R382-E536 PolarHBondContact NE-OE2 3.47Å; R382-E536 IonicContact NH1-OE2 3.92Å; R382-E536 PolarHBondContact NH1-OE2 3.21Å; T460-E536 WeakPolarHBondContact CA-OE1 3.42Å; T460-E536 WeakPolarHBondContact CB-OE1 3.38Å; T460-E536 PolarHBondContact N-OE1 2.72Å; T460-E536 PolarHBondContact OG1-OE1 2.89Å; T533-E536 PolarHBondContact N-O 3.39Å; T533-E536 WeakPolarHBondContact OG1-CG 3.24Å; T533-E536 PolarHBondContact OG1-N 2.8Å; T533-E536 PolarHBondContact OG1-O 2.87Å | ||
| 537 | S | 93.6 | Very high | 91.8 | Very high | 72 Ų | 72 | 40.3 Ų | 40.3 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.3 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | V531 D532 | V531-S537 CarbonylContact O-C 3.51Å; V531-S537 WeakPolarHBondContact O-CA 3.35Å; D532-S537 WeakPolarHBondContact OD1-CB 3.35Å; D532-S537 PolarHBondContact OD1-OG 3.17Å |
| 538 | L | 93.9 | Very high | 90.6 | Very high | 45 Ų | 45 | 42 Ų | 42 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 152.9 | -179.1 | -60.3 | 173.7 | 0 | 0 | 0 | 110.2 | T460 I462 V530 V531 | T460-L538 HydrophobicContact CG2-CD1 3.9Å; T460-L538 VanDerWaalsContact O-CD1 3.29Å; T460-L538 WeakPolarHBondContact O-CD1 3.5Å; I462-L538 HydrophobicContact CD1-CB 4.24Å; I462-L538 HydrophobicContact CG1-CB 4.47Å; V530-L538 CarbonylContact C-O 3.49Å; V530-L538 WeakPolarHBondContact CA-O 3.49Å; V531-L538 PolarHBondContact N-O 2.92Å; V531-L538 PolarHBondContact O-N 3.23Å |
| 539 | S | 94.5 | Very high | 88.9 | Confident | 83 Ų | 83 | 43.6 Ų | 43.6 | 58% | 0.58 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 154.7 | 173.5 | 61.7 | 0 | 0 | 0 | 0 | 113.5 | C529 | C529-S539 CarbonylContact O-C 3.59Å; C529-S539 WeakPolarHBondContact O-CA 3.39Å; C529-S539 WeakPolarHBondContact O-CB 3.11Å |
| 540 | T | 95.2 | Very high | 87.1 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 13% | 0.129 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 156.3 | 174 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | I462 P466 V528 C529 | I462-T540 HydrophobicContact CD1-CG2 3.85Å; I462-T540 HydrophobicContact CG2-CG2 4.24Å; P466-T540 VanDerWaalsContact CD-CG2 3.42Å; P466-T540 HydrophobicContact CG-CG2 4.1Å; V528-T540 CarbonylContact C-O 3.55Å; V528-T540 WeakPolarHBondContact CA-O 3.49Å; C529-T540 HydrophobicContact CB-CG2 3.98Å; C529-T540 PolarHBondContact N-O 2.86Å; C529-T540 PolarHBondContact O-N 3.3Å |
| 541 | S | 94.6 | Very high | 84.9 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 154 | -176.6 | 68.2 | 0 | 0 | 0 | 0 | 114 | K526 Y527 | K526-S541 WeakPolarHBondContact CE-OG 3.46Å; Y527-S541 CarbonylContact O-C 3.45Å; Y527-S541 WeakPolarHBondContact O-CA 3.34Å; Y527-S541 VanDerWaalsContact O-CB 3.27Å; Y527-S541 WeakPolarHBondContact O-CB 3.05Å |
| 542 | A | 93.3 | Very high | 82.9 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 2% | 0.017 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 160.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P466 T467 L479 K526 Y527 | P466-A542 HydrophobicContact CB-CB 3.62Å; P466-A542 HydrophobicContact CG-CB 3.9Å; T467-A542 WeakPolarHBondContact O-CB 3.49Å; L479-A542 HydrophobicContact CD2-CB 4.48Å; K526-A542 WeakPolarHBondContact CA-O 3.35Å; Y527-A542 PolarHBondContact N-O 2.76Å; Y527-A542 PolarHBondContact O-N 2.82Å |
| 543 | I | 91.5 | Very high | 80.3 | Confident | 84 Ų | 84 | 68 Ų | 68 | 43% | 0.431 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.7 | 174.9 | -59 | 174.9 | 0 | 0 | 0 | 108.9 | N468 M469 G525 V545 | N468-I543 VanDerWaalsContact CA-O 3.25Å; N468-I543 WeakPolarHBondContact CA-O 3.47Å; N468-I543 PolarHBondContact OD1-N 2.03Å; M469-I543 PolarHBondContact N-O 2.84Å; M469-I543 VanDerWaalsContact N-O 3.08Å; G525-I543 WeakPolarHBondContact O-CA 3.46Å; I543-V545 HydrophobicContact CG2-CG2 4.31Å |
| 544 | L | 92.1 | Very high | 78 | Confident | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.8 | 171.7 | -177.2 | 63.1 | 0 | 0 | 0 | 109.3 | M469 I471 I477 I516 G524 G525 Y527 V546 | M469-L544 HydrophobicContact CB-CD1 4.21Å; I471-L544 HydrophobicContact CB-CD1 4.06Å; I471-L544 HydrophobicContact CG1-CD1 3.6Å; I477-L544 HydrophobicContact CD1-CD1 3.55Å; I477-L544 HydrophobicContact CD1-CD2 3.82Å; I477-L544 HydrophobicContact CD1-CG 4.32Å; I516-L544 HydrophobicContact CD1-CD2 4.26Å; G524-L544 CarbonylContact C-O 2.92Å; G524-L544 VanDerWaalsContact CA-O 3.29Å; G524-L544 WeakPolarHBondContact CA-O 3.17Å; G525-L544 PolarHBondContact N-O 2.92Å; G525-L544 PolarHBondContact O-N 2.88Å; Y527-L544 HydrophobicContact CD2-CB 4.1Å; Y527-L544 HydrophobicContact CE2-CB 3.84Å; Y527-L544 HydrophobicContact CE2-CD2 4Å; L544-V546 HydrophobicContact CD2-CG2 4.2Å; L544-V546 HydrophobicContact CG-CG2 4.08Å |
| 545 | V | 88.4 | Confident | 75.9 | Confident | 64 Ų | 64 | 72.8 Ų | 72.8 | 39% | 0.388 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.2 | 172.7 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | M469 E470 I471 I543 | M469-V545 PolarHBondContact O-N 2.89Å; E470-V545 CarbonylContact C-O 3.56Å; E470-V545 VanDerWaalsContact CA-O 3.3Å; E470-V545 WeakPolarHBondContact CA-O 3.36Å; E470-V545 HydrophobicContact CG-CB 4.15Å; I471-V545 PolarHBondContact N-O 2.89Å; I543-V545 HydrophobicContact CG2-CG2 4.31Å |
| 546 | V | 87.5 | Confident | 73.7 | Confident | 20 Ų | 20 | 77.9 Ų | 77.9 | 12% | 0.121 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.8 | 179.9 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | I471 V473 I519 L521 L544 | I471-V546 CarbonylContact O-C 3.55Å; I471-V546 VanDerWaalsContact O-CA 3.28Å; I471-V546 WeakPolarHBondContact O-CA 3.33Å; V473-V546 HydrophobicContact CG2-CG1 3.82Å; I519-V546 HydrophobicContact CG2-CB 4.27Å; I519-V546 HydrophobicContact CG2-CG1 3.7Å; I519-V546 HydrophobicContact CG2-CG2 3.48Å; I519-V546 VanDerWaalsContact CG2-CG2 3.48Å; L521-V546 HydrophobicContact CD2-CB 4.42Å; L521-V546 HydrophobicContact CD2-CG1 4.13Å; L521-V546 WeakPolarHBondContact CD2-O 3.11Å; L544-V546 HydrophobicContact CD2-CG2 4.2Å; L544-V546 HydrophobicContact CG-CG2 4.08Å |
| 547 | K | 80.6 | Confident | 71.6 | Confident | 97 Ų | 97 | 81.6 Ų | 81.6 | 42% | 0.422 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 142.3 | 176.4 | -68 | 179.6 | 173.8 | 174.4 | 0 | 109.7 | E470 I471 I472 V473 | E470-K547 IonicContact OE1-NZ 2.7Å; E470-K547 PolarHBondContact OE1-NZ 2.96Å; E470-K547 WeakPolarHBondContact OE2-CE 3.41Å; E470-K547 IonicContact OE2-NZ 3.61Å; E470-K547 PolarHBondContact OE2-NZ 2.99Å; I471-K547 PolarHBondContact O-N 3.33Å; I472-K547 WeakPolarHBondContact CA-O 3.27Å; V473-K547 PolarHBondContact N-O 3.43Å |
| 548 | G | 68.5 | Low | 69.5 | Low | 46 Ų | 46 | 85.5 Ų | 85.5 | 47% | 0.474 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 151.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 549 | S | 60 | Low | 67.1 | Low | 64 Ų | 64 | 91.4 Ų | 91.4 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 130.6 | 175.4 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | W551 | S549-W551 PolarHBondContact O-N 3.05Š|
| 550 | P | 54.5 | Low | 64.7 | Low | 38 Ų | 38 | 93 Ų | 93 | 25% | 0.247 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 126.1 | 174.3 | -19.2 | 29.8 | 0 | 0 | 0 | 110.1 | I472 W552 M553 | I472-P550 HydrophobicContact CD1-CG 4.21Å; P550-W552 HydrophobicContact CB-CD2 4.48Å; P550-W552 HydrophobicContact CB-CG 4.32Å; P550-W552 HydrophobicContact CB-CZ2 4.43Å; P550-W552 PolarHBondContact O-N 2.96Å; P550-M553 PolarHBondContact O-N 2.84Å |
| 551 | W | 47.8 | Very low | 62.3 | Low | 249 Ų | 249 | 100.7 Ų | 100.7 | 94% | 0.943 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -7.9 | -173.8 | -54.8 | -21.3 | 0 | 0 | 0 | 114.9 | S549 | S549-W551 PolarHBondContact O-N 3.05Š|
| 552 | W | 49.5 | Very low | 59.7 | Low | 200 Ų | 200 | 105.9 Ų | 105.9 | 76% | 0.758 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -3.3 | 177.7 | 61.2 | -93.5 | 0 | 0 | 0 | 114.4 | P550 | P550-W552 HydrophobicContact CB-CD2 4.48Å; P550-W552 HydrophobicContact CB-CG 4.32Å; P550-W552 HydrophobicContact CB-CZ2 4.43Å; P550-W552 PolarHBondContact O-N 2.96Å |
| 553 | M | 37.6 | Very low | 57.8 | Low | 120 Ų | 120 | 114.6 Ų | 114.6 | 59% | 0.591 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -103.2 | 3.9 | -179.7 | -74.4 | -172.8 | 128.2 | 0 | 0 | 115.2 | P550 | P550-M553 PolarHBondContact O-N 2.84Š|
| 554 | S | 44.2 | Very low | 55.9 | Low | 75 Ų | 75 | 118.9 Ų | 118.9 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | trans | -88.5 | 134.4 | 173.3 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | E556 | S554-E556 PolarHBondContact O-N 3.13Å; S554-E556 VanDerWaalsContact O-N 3.09Å | ||
| 555 | P | 44.6 | Very low | 54 | Low | 127 Ų | 127 | 125.7 Ų | 125.7 | 83% | 0.825 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -76.4 | 13.1 | -178.2 | 31.8 | -34.8 | 0 | 0 | 0 | 114.8 | S557 | P555-S557 PolarHBondContact O-N 2.94Š|
| 556 | E | 46.1 | Very low | 52.8 | Low | 149 Ų | 149 | 125.1 Ų | 125.1 | 70% | 0.696 | 65% | 0.653 | S | S | * | * | trans | -104.2 | 59.2 | 176.3 | -67 | -171.7 | 176.3 | 0 | 0 | 110.8 | S554 N558 | S554-E556 PolarHBondContact O-N 3.13Å; S554-E556 VanDerWaalsContact O-N 3.09Å; E556-N558 PolarHBondContact O-N 2.85Å | ||
| 557 | S | 46.2 | Very low | 52.1 | Low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 66% | 0.66 | S | S | * | * | trans | -71.7 | 69.6 | 161.9 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | P555 | P555-S557 PolarHBondContact O-N 2.94Š| ||
| 558 | N | 50 | Low | 52.1 | Low | 154 Ų | 154 | 124.1 Ų | 124.1 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | trans | -171.6 | 44.2 | 167 | -99.5 | -13.9 | 0 | 0 | 0 | 115.5 | E556 | E556-N558 PolarHBondContact O-N 2.85Š| ||
| 559 | F | 43 | Very low | 52.9 | Low | 168 Ų | 168 | 122.1 Ų | 122.1 | 74% | 0.737 | 64% | 0.636 | S | S | * | * | trans | -125.6 | 70.8 | 168.6 | -87.4 | -83.2 | 0 | 0 | 0 | 112.1 | ||||
| 560 | C | 44.6 | Very low | 54.1 | Low | 118 Ų | 118 | 119.6 Ų | 119.6 | 80% | 0.797 | 62% | 0.62 | S | S | * | * | trans | -137.9 | 57.3 | 158.9 | -94.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 561 | Q | 44.7 | Very low | 55.7 | Low | 181 Ų | 181 | 120.5 Ų | 120.5 | 85% | 0.846 | 63% | 0.625 | S | S | * | * | trans | -143.4 | 71.9 | 161.2 | -83 | -167.8 | -22.9 | 0 | 0 | 108.2 | ||||
| 562 | L | 39.8 | Very low | 57.7 | Low | 160 Ų | 160 | 108.7 Ų | 108.7 | 84% | 0.838 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -162.8 | 125.9 | 158.4 | -99.2 | 136.3 | 0 | 0 | 0 | 109.1 | ||
| 563 | Q | 52.1 | Low | 59.6 | Low | 186 Ų | 186 | 103.9 Ų | 103.9 | 87% | 0.869 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -55.3 | 145.9 | -171 | -82 | 158.9 | -72.6 | 0 | 0 | 114.2 | ||
| 564 | L | 52.9 | Low | 62.1 | Low | 174 Ų | 174 | 103.9 Ų | 103.9 | 91% | 0.911 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 102.8 | 24.9 | 164.8 | -58.4 | 160.9 | 0 | 0 | 0 | 118.1 | ||
| 565 | I | 52.3 | Low | 64.3 | Low | 146 Ų | 146 | 100.4 Ų | 100.4 | 75% | 0.749 | 54% | 0.542 | S | S | * | . | trans | -124.2 | 120.8 | 165.7 | -64.9 | 172.2 | 0 | 0 | 0 | 109.1 | ||||
| 566 | S | 61.7 | Low | 66.4 | Low | 53 Ų | 53 | 97.1 Ų | 97.1 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | trans | -74.2 | 127.2 | 170.2 | 49.4 | 0 | 0 | 0 | 0 | 109.5 | S597 V653 | S566-S597 WeakPolarHBondContact CB-OG 3.36Å; S566-V653 WeakPolarHBondContact O-CG2 3.17Å; S566-V653 WeakPolarHBondContact OG-CG2 3.5Å | ||
| 567 | C | 73 | Confident | 68.6 | Low | 41 Ų | 41 | 91.8 Ų | 91.8 | 28% | 0.277 | 50% | 0.5 | S | S | . | . | trans | -104.2 | 160.4 | 177.8 | -69.5 | 0 | 0 | 0 | 0 | 111.4 | N595 N651 | C567-N595 HydrophobicContact CB-CB 3.94Å; C567-N595 PolarHBondContact N-O 3.06Å; C567-N595 VanDerWaalsContact N-O 3.16Å; C567-N651 PolarHBondContact O-ND2 3.21Å | ||
| 568 | P | 81 | Confident | 70.7 | Confident | 54 Ų | 54 | 92 Ų | 92 | 35% | 0.351 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 154 | 166.9 | -21.6 | 33.1 | 0 | 0 | 0 | 111.3 | N595 V653 | P568-N595 PolarHBondContact O-ND2 2.75Å; P568-V653 HydrophobicContact CG-CG1 3.99Å |
| 569 | P | 86.3 | Confident | 72.4 | Confident | 4 Ų | 4 | 91 Ų | 91 | 3% | 0.026 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -61 | 150.8 | -177.6 | -23.5 | 36.1 | 0 | 0 | 0 | 112.6 | R593 I599 A649 N651 G654 G656 | P569-R593 CarbonylContact C-O 3.56Å; P569-R593 WeakPolarHBondContact CA-O 3.4Å; P569-I599 HydrophobicContact CB-CD1 3.95Å; P569-I599 HydrophobicContact CB-CG1 3.74Å; P569-I599 HydrophobicContact CG-CG1 3.77Å; P569-A649 HydrophobicContact CB-CB 3.59Å; P569-A649 HydrophobicContact CG-CB 4.06Å; P569-N651 VanDerWaalsContact CD-CG 3.46Å; P569-N651 HydrophobicContact CG-CB 3.76Å; P569-G654 WeakPolarHBondContact CD-O 3.31Å; P569-G656 WeakPolarHBondContact O-CA 3.35Å |
| 570 | G | 83.6 | Confident | 74.6 | Confident | 11 Ų | 11 | 85.1 Ų | 85.1 | 11% | 0.113 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 160.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R593 N595 | G570-R593 PolarHBondContact N-O 2.97Å; G570-N595 PolarHBondContact N-ND2 2.9Å; G570-N595 VanDerWaalsContact N-ND2 3.16Å |
| 571 | P | 88 | Confident | 76.7 | Confident | 57 Ų | 57 | 81.1 Ų | 81.1 | 37% | 0.37 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 135 | 179.7 | 24.9 | -31.7 | 0 | 0 | 0 | 110.7 | E657 | P571-E657 WeakPolarHBondContact CA-O 3.44Å; P571-E657 HydrophobicContact CB-CB 3.92Å; P571-E657 HydrophobicContact CG-CB 4.24Å |
| 572 | P | 90.9 | Very high | 78.8 | Confident | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.013 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 158.8 | 167.7 | -19.6 | 32.1 | 0 | 0 | 0 | 111.1 | Y602 A649 S659 | P572-Y602 HydrophobicContact CG-CD1 4.26Å; P572-Y602 HydrophobicContact CG-CE1 4.02Å; P572-A649 HydrophobicContact CG-CB 4.06Å; P572-S659 WeakPolarHBondContact O-CA 3.46Å; P572-S659 VanDerWaalsContact O-CB 3.26Å; P572-S659 WeakPolarHBondContact O-CB 3.46Å |
| 573 | D | 89.2 | Confident | 80.8 | Confident | 98 Ų | 98 | 70 Ų | 70 | 52% | 0.524 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -64 | 163.4 | 172.2 | -76.6 | -22.7 | 0 | 0 | 0 | 111.1 | V575 T590 S659 | D573-V575 PolarHBondContact O-N 2.97Å; D573-V575 VanDerWaalsContact O-N 3.15Å; D573-T590 PolarHBondContact N-O 3.39Å; D573-T590 WeakPolarHBondContact OD2-CB 3.5Å; D573-S659 WeakPolarHBondContact O-CB 3.28Å |
| 574 | K | 89.3 | Confident | 82.6 | Confident | 121 Ų | 121 | 63 Ų | 63 | 53% | 0.526 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -54 | 123.2 | -179.7 | -178 | 177.9 | 176.4 | -179 | 0 | 110.3 | P660 A661 | K574-P660 HydrophobicContact CB-CB 4.07Å; K574-P660 HydrophobicContact CB-CG 4.29Å; K574-P660 HydrophobicContact CG-CB 4.14Å; K574-A661 WeakPolarHBondContact CE-O 3.4Å |
| 575 | V | 91.4 | Very high | 84.4 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 136.6 | 178.7 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | D573 L587 W589 F645 V647 S662 | D573-V575 PolarHBondContact O-N 2.97Å; D573-V575 VanDerWaalsContact O-N 3.15Å; V575-L587 HydrophobicContact CG2-CB 3.9Å; V575-L587 HydrophobicContact CG2-CD1 4.3Å; V575-L587 HydrophobicContact CG2-CD2 4.38Å; V575-L587 HydrophobicContact CG2-CG 4.43Å; V575-W589 HydrophobicContact CB-CB 4.42Å; V575-W589 HydrophobicContact CG2-CE3 4.17Å; V575-F645 HydrophobicContact CG1-CB 4.21Å; V575-F645 WeakPolarHBondContact CG1-O 3.32Å; V575-V647 HydrophobicContact CB-CG2 4.07Å; V575-V647 HydrophobicContact CG1-CG2 4.49Å; V575-V647 HydrophobicContact CG2-CG2 3.98Å; V575-S662 WeakPolarHBondContact O-CB 3.07Å |
| 576 | S | 89.2 | Confident | 86.2 | Confident | 59 Ų | 59 | 51 Ų | 51 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 142.2 | 176.6 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | L587 S588 | S576-L587 WeakPolarHBondContact O-CA 3.21Å; S576-S588 PolarHBondContact N-O 2.91Å; S576-S588 PolarHBondContact O-N 2.8Å |
| 577 | V | 91.9 | Very high | 87.6 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 22% | 0.218 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 115 | 175 | -174.5 | 0 | 0 | 0 | 0 | 106.6 | I580 L587 F645 T665 | V577-I580 HydrophobicContact CG1-CB 4.24Å; V577-L587 HydrophobicContact CB-CD2 4.23Å; V577-L587 HydrophobicContact CG1-CD2 4.27Å; V577-L587 HydrophobicContact CG2-CD2 3.72Å; V577-F645 HydrophobicContact CG2-CD2 3.88Å; V577-F645 HydrophobicContact CG2-CE2 4.27Å; V577-T665 HydrophobicContact CG1-CG2 4.33Å |
| 578 | E | 89.6 | Confident | 88.5 | Confident | 107 Ų | 107 | 46.8 Ų | 46.8 | 50% | 0.5 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -50.8 | -176.6 | -60.9 | -63.2 | 164.4 | 0 | 0 | 110.8 | Q586 S588 | E578-Q586 PolarHBondContact N-O 2.87Å; E578-S588 WeakPolarHBondContact OE1-CB 3.48Å; E578-S588 PolarHBondContact OE1-OG 2.86Å |
| 579 | E | 86.6 | Confident | 89 | Confident | 135 Ų | 135 | 44.4 Ų | 44.4 | 63% | 0.631 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.8 | 177.5 | -67.8 | -173 | 174.2 | 0 | 0 | 109.8 | A585 Q586 | E579-A585 CarbonylContact O-C 3.57Å; E579-A585 WeakPolarHBondContact O-CA 3.02Å; E579-Q586 HydrophobicContact CB-CB 4.29Å; E579-Q586 PolarHBondContact O-N 2.92Å |
| 580 | I | 88.8 | Confident | 89.1 | Confident | 43 Ų | 43 | 46.9 Ų | 46.9 | 22% | 0.221 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 136.9 | 176.8 | -164.8 | 164.4 | 0 | 0 | 0 | 109.8 | V577 A585 T665 T667 | V577-I580 HydrophobicContact CG1-CB 4.24Å; I580-A585 HydrophobicContact CD1-CB 4.32Å; I580-A585 HydrophobicContact CG1-CB 4.06Å; I580-T665 HydrophobicContact CB-CG2 4.46Å; I580-T665 HydrophobicContact CD1-CG2 3.81Å; I580-T665 HydrophobicContact CG2-CG2 3.91Å; I580-T667 HydrophobicContact CD1-CG2 3.88Å; I580-T667 HydrophobicContact CG1-CG2 4.07Å |
| 581 | T | 89.3 | Confident | 89.3 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | trans | -117.7 | -175.6 | 173 | 75.5 | 0 | 0 | 0 | 0 | 109.9 | S583 T584 T667 E668 A670 | T581-S583 PolarHBondContact O-N 2.97Å; T581-S583 VanDerWaalsContact O-N 3.15Å; T581-S583 PolarHBondContact OG1-N 2.73Å; T581-T584 PolarHBondContact N-O 2.87Å; T581-T584 PolarHBondContact OG1-N 2.92Å; T581-T584 PolarHBondContact OG1-OG1 2.7Å; T581-T667 VanDerWaalsContact O-CB 3.26Å; T581-T667 WeakPolarHBondContact O-CB 3.33Å; T581-T667 WeakPolarHBondContact O-CG2 3.33Å; T581-E668 CarbonylContact C-O 3.57Å; T581-E668 WeakPolarHBondContact CA-O 3.43Å; T581-A670 HydrophobicContact CG2-CB 4.15Å | ||
| 582 | D | 87.2 | Confident | 89.1 | Confident | 61 Ų | 61 | 46.1 Ų | 46.1 | 33% | 0.326 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -60.5 | -18.8 | 173.9 | 70 | -16.1 | 0 | 0 | 0 | 114 | N638 A639 E668 D669 | D582-N638 CarbonylContact O-C 3.14Å; D582-A639 HydrophobicContact CB-CB 3.97Å; D582-A639 WeakPolarHBondContact O-CA 3.31Å; D582-A639 PolarHBondContact O-N 2.82Å; D582-E668 PolarHBondContact N-O 3.49Å; D582-D669 WeakPolarHBondContact CB-OD1 3.37Å |
| 583 | S | 83.4 | Confident | 88.7 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -142.9 | -6.5 | -168.3 | 53.8 | 0 | 0 | 0 | 0 | 114.8 | T581 V635 G636 L637 | T581-S583 PolarHBondContact O-N 2.97Å; T581-S583 VanDerWaalsContact O-N 3.15Å; T581-S583 PolarHBondContact OG1-N 2.73Å; S583-V635 CarbonylContact O-C 3.47Å; S583-G636 PolarHBondContact O-N 2.83Å; S583-L637 WeakPolarHBondContact CA-O 3.48Å; S583-L637 PolarHBondContact O-N 2.87Å |
| 584 | T | 88.6 | Confident | 88.1 | Confident | 39 Ų | 39 | 54.3 Ų | 54.3 | 24% | 0.239 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 154.7 | -178.8 | 70.4 | 0 | 0 | 0 | 0 | 112.2 | T581 V634 V635 | T581-T584 PolarHBondContact N-O 2.87Å; T581-T584 PolarHBondContact OG1-N 2.92Å; T581-T584 PolarHBondContact OG1-OG1 2.7Å; T584-V634 CarbonylContact C-O 3.59Å; T584-V634 WeakPolarHBondContact CA-O 3.29Å; T584-V634 WeakPolarHBondContact CB-O 3.5Å; T584-V635 HydrophobicContact CG2-CB 4.28Å; T584-V635 HydrophobicContact CG2-CG1 3.91Å |
| 585 | A | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 129.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | E579 I580 L587 T633 V634 L637 F645 | E579-A585 CarbonylContact O-C 3.57Å; E579-A585 WeakPolarHBondContact O-CA 3.02Å; I580-A585 HydrophobicContact CD1-CB 4.32Å; I580-A585 HydrophobicContact CG1-CB 4.06Å; A585-L587 HydrophobicContact CB-CD2 4.4Å; A585-T633 WeakPolarHBondContact O-CA 3.25Å; A585-V634 PolarHBondContact N-O 2.83Å; A585-V634 PolarHBondContact O-N 3.02Å; A585-L637 HydrophobicContact CB-CD1 3.58Å; A585-F645 HydrophobicContact CB-CE2 4.39Å; A585-F645 HydrophobicContact CB-CZ 4.03Å |
| 586 | Q | 90.3 | Very high | 86.6 | Confident | 68 Ų | 68 | 55.3 Ų | 55.3 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 121.5 | 172.5 | -165.1 | 177.6 | 32.7 | 0 | 0 | 109.7 | E578 E579 | E578-Q586 PolarHBondContact N-O 2.87Å; E579-Q586 HydrophobicContact CB-CB 4.29Å; E579-Q586 PolarHBondContact O-N 2.92Å |
| 587 | L | 92.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142.4 | -175 | -56.9 | -177.9 | 0 | 0 | 0 | 110.7 | V575 S576 V577 A585 W589 V604 T631 A632 V634 F645 | V575-L587 HydrophobicContact CG2-CB 3.9Å; V575-L587 HydrophobicContact CG2-CD1 4.3Å; V575-L587 HydrophobicContact CG2-CD2 4.38Å; V575-L587 HydrophobicContact CG2-CG 4.43Å; S576-L587 WeakPolarHBondContact O-CA 3.21Å; V577-L587 HydrophobicContact CB-CD2 4.23Å; V577-L587 HydrophobicContact CG1-CD2 4.27Å; V577-L587 HydrophobicContact CG2-CD2 3.72Å; A585-L587 HydrophobicContact CB-CD2 4.4Å; L587-W589 HydrophobicContact CB-CE3 4.28Å; L587-W589 HydrophobicContact CB-CZ3 4Å; L587-V604 HydrophobicContact CD1-CG1 3.65Å; L587-T631 CarbonylContact O-C 3.59Å; L587-T631 WeakPolarHBondContact O-CA 3.24Å; L587-A632 PolarHBondContact N-O 2.89Å; L587-A632 PolarHBondContact O-N 2.84Å; L587-V634 HydrophobicContact CD1-CG2 3.68Å; L587-V634 HydrophobicContact CG-CG2 4.26Å; L587-F645 HydrophobicContact CD1-CB 4.06Å; L587-F645 HydrophobicContact CD1-CD1 3.94Å; L587-F645 HydrophobicContact CD1-CG 4.02Å; L587-F645 HydrophobicContact CD2-CB 4.37Å; L587-F645 HydrophobicContact CD2-CD2 4.02Å; L587-F645 HydrophobicContact CD2-CE2 4.46Å; L587-F645 HydrophobicContact CD2-CG 4.06Å |
| 588 | S | 91.2 | Very high | 85.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.028 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 140.5 | 174.5 | 75 | 0 | 0 | 0 | 0 | 111.7 | S576 E578 L630 | S576-S588 PolarHBondContact N-O 2.91Å; S576-S588 PolarHBondContact O-N 2.8Å; E578-S588 WeakPolarHBondContact OE1-CB 3.48Å; E578-S588 PolarHBondContact OE1-OG 2.86Å; S588-L630 CarbonylContact C-O 3.55Å; S588-L630 VanDerWaalsContact CA-O 3.27Å; S588-L630 WeakPolarHBondContact CA-O 3.4Å |
| 589 | W | 91.3 | Very high | 85.4 | Confident | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.019 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 164.5 | 174.5 | 65.7 | 94.3 | 0 | 0 | 0 | 112 | V575 L587 Y602 A620 P622 L630 A632 V647 | V575-W589 HydrophobicContact CB-CB 4.42Å; V575-W589 HydrophobicContact CG2-CE3 4.17Å; L587-W589 HydrophobicContact CB-CE3 4.28Å; L587-W589 HydrophobicContact CB-CZ3 4Å; W589-Y602 HydrophobicContact CZ2-CD1 4.24Å; W589-Y602 HydrophobicContact CZ2-CD2 4.2Å; W589-Y602 AromaticContact CZ2-CG 3.85Å; W589-Y602 HydrophobicContact CZ2-CG 3.85Å; W589-Y602 AromaticContact NE1-CD1 3.52Å; W589-Y602 AromaticContact NE1-CE1 3.51Å; W589-Y602 AromaticContact NE1-CG 3.93Å; W589-Y602 AromaticContact NE1-CZ 3.96Å; W589-A620 HydrophobicContact CH2-CB 4.19Å; W589-P622 HydrophobicContact CH2-CB 4.11Å; W589-P622 HydrophobicContact CZ2-CB 3.9Å; W589-P622 HydrophobicContact CZ2-CG 4.04Å; W589-L630 HydrophobicContact CD2-CB 4.44Å; W589-L630 HydrophobicContact CZ2-CB 4.48Å; W589-L630 PolarHBondContact N-O 2.94Å; W589-L630 WeakPolarHBondContact O-CB 3.44Å; W589-L630 PolarHBondContact O-N 2.87Å; W589-A632 HydrophobicContact CH2-CB 3.62Å; W589-A632 HydrophobicContact CZ3-CB 3.9Å; W589-V647 HydrophobicContact CD2-CB 4.43Å; W589-V647 HydrophobicContact CD2-CG1 4.26Å; W589-V647 HydrophobicContact CD2-CG2 3.99Å; W589-V647 HydrophobicContact CE3-CG2 3.92Å; W589-V647 HydrophobicContact CH2-CG1 4.43Å; W589-V647 HydrophobicContact CH2-CG2 4.46Å; W589-V647 HydrophobicContact CZ2-CG1 3.87Å; W589-V647 HydrophobicContact CZ3-CG2 4.17Å |
| 590 | T | 89.5 | Confident | 85.2 | Confident | 56 Ų | 56 | 50 Ų | 50 | 34% | 0.344 | 29% | 0.289 | S | S | . | . | trans | -98 | 136.1 | 171 | -50.2 | 0 | 0 | 0 | 0 | 109.2 | D573 | D573-T590 PolarHBondContact N-O 3.39Å; D573-T590 WeakPolarHBondContact OD2-CB 3.5Å | ||
| 591 | P | 86.5 | Confident | 85 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 26% | 0.26 | 29% | 0.287 | S | S | . | . | trans | -59.6 | 142.1 | 178.4 | 26.4 | -36.1 | 0 | 0 | 0 | 111.6 | Y602 N628 L630 | P591-Y602 WeakPolarHBondContact CA-OH 3.34Å; P591-Y602 WeakPolarHBondContact CB-OH 3.33Å; P591-N628 WeakPolarHBondContact CD-O 3.38Å; P591-L630 HydrophobicContact CB-CD1 3.92Å; P591-L630 HydrophobicContact CG-CD1 4.24Å | ||
| 592 | G | 84.1 | Confident | 85.1 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 12% | 0.124 | 28% | 0.28 | C | S | . | . | trans | -70.1 | 179.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | I599 | G592-I599 WeakPolarHBondContact O-CD1 3.26Š| ||
| 593 | R | 83.4 | Confident | 85.3 | Confident | 202 Ų | 202 | 46 Ų | 46 | 76% | 0.762 | 27% | 0.27 | S | S | * | . | trans | -74.7 | 131 | 176.8 | -63.7 | -175.3 | -177 | -149 | 0.5 | 111 | P569 G570 N595 | P569-R593 CarbonylContact C-O 3.56Å; P569-R593 WeakPolarHBondContact CA-O 3.4Å; G570-R593 PolarHBondContact N-O 2.97Å; R593-N595 WeakPolarHBondContact CB-OD1 3.22Å; R593-N595 PolarHBondContact O-N 2.79Å; R593-N595 VanDerWaalsContact O-N 3.11Å | ||
| 594 | D | 75.9 | Confident | 85.6 | Confident | 70 Ų | 70 | 43.8 Ų | 43.8 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | trans | -65 | -13.5 | 178.6 | -70.5 | 6.6 | 0 | 0 | 0 | 114.5 | G596 S597 P598 I599 N651 | D594-G596 PolarHBondContact O-N 3.06Å; D594-S597 WeakPolarHBondContact CB-O 3.3Å; D594-S597 PolarHBondContact O-N 2.87Å; D594-P598 WeakPolarHBondContact OD2-CA 3.39Å; D594-I599 WeakPolarHBondContact OD1-CD1 3.23Å; D594-I599 WeakPolarHBondContact OD1-CG1 3.36Å; D594-N651 PolarHBondContact O-ND2 2.82Å | ||
| 595 | N | 77.4 | Confident | 85.9 | Confident | 72 Ų | 72 | 43.3 Ų | 43.3 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 38 | 176.8 | -64.6 | -19 | 0 | 0 | 0 | 115 | C567 P568 G570 R593 | C567-N595 HydrophobicContact CB-CB 3.94Å; C567-N595 PolarHBondContact N-O 3.06Å; C567-N595 VanDerWaalsContact N-O 3.16Å; P568-N595 PolarHBondContact O-ND2 2.75Å; G570-N595 PolarHBondContact N-ND2 2.9Å; G570-N595 VanDerWaalsContact N-ND2 3.16Å; R593-N595 WeakPolarHBondContact CB-OD1 3.22Å; R593-N595 PolarHBondContact O-N 2.79Å; R593-N595 VanDerWaalsContact O-N 3.11Å |
| 596 | G | 71.1 | Confident | 85.8 | Confident | 71 Ų | 71 | 43.5 Ų | 43.5 | 73% | 0.732 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.8 | -3.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | D594 | D594-G596 PolarHBondContact O-N 3.06Š|
| 597 | S | 79.2 | Confident | 85.9 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 12% | 0.119 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -142.1 | 131.2 | 170.9 | -77.3 | 0 | 0 | 0 | 0 | 111.6 | S566 D594 I599 N651 | S566-S597 WeakPolarHBondContact CB-OG 3.36Å; D594-S597 WeakPolarHBondContact CB-O 3.3Å; D594-S597 PolarHBondContact O-N 2.87Å; S597-I599 PolarHBondContact O-N 2.91Å; S597-N651 PolarHBondContact O-ND2 2.88Å; S597-N651 VanDerWaalsContact O-ND2 3.07Å |
| 598 | P | 81.1 | Confident | 85.7 | Confident | 86 Ų | 86 | 45.5 Ų | 45.5 | 56% | 0.558 | 26% | 0.257 | S | S | * | . | trans | -58.5 | 136.6 | -169.1 | 23.7 | -33.3 | 0 | 0 | 0 | 111.5 | D594 T600 N651 | D594-P598 WeakPolarHBondContact OD2-CA 3.39Å; P598-T600 PolarHBondContact O-N 3.3Å; P598-N651 VanDerWaalsContact O-CB 3.23Å; P598-N651 WeakPolarHBondContact O-CB 3.39Å | ||
| 599 | I | 85.4 | Confident | 85.3 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | trans | -63.8 | 123.9 | 173.4 | -69.2 | 165.6 | 0 | 0 | 0 | 108.6 | P569 G592 D594 S597 G601 Y602 A649 Q650 | P569-I599 HydrophobicContact CB-CD1 3.95Å; P569-I599 HydrophobicContact CB-CG1 3.74Å; P569-I599 HydrophobicContact CG-CG1 3.77Å; G592-I599 WeakPolarHBondContact O-CD1 3.26Å; D594-I599 WeakPolarHBondContact OD1-CD1 3.23Å; D594-I599 WeakPolarHBondContact OD1-CG1 3.36Å; S597-I599 PolarHBondContact O-N 2.91Å; I599-G601 WeakPolarHBondContact CG2-O 3.29Å; I599-Y602 WeakPolarHBondContact CD1-OH 3.27Å; I599-Y602 HydrophobicContact CG2-CD2 4.41Å; I599-Y602 HydrophobicContact CG2-CE1 4.22Å; I599-Y602 HydrophobicContact CG2-CE2 3.69Å; I599-Y602 WeakPolarHBondContact CG2-OH 3.5Å; I599-A649 HydrophobicContact CD1-CB 3.91Å; I599-A649 HydrophobicContact CG1-CB 4.25Å; I599-A649 HydrophobicContact CG2-CB 4.2Å; I599-Q650 CarbonylContact C-O 3.59Å; I599-Q650 WeakPolarHBondContact CG2-O 3.32Å | ||
| 600 | T | 83 | Confident | 84.7 | Confident | 93 Ų | 93 | 57.5 Ų | 57.5 | 57% | 0.571 | 32% | 0.319 | S | S | * | . | trans | -100.2 | -13.2 | -177.1 | 54.7 | 0 | 0 | 0 | 0 | 113 | P598 Q650 V652 | P598-T600 PolarHBondContact O-N 3.3Å; T600-Q650 PolarHBondContact N-O 2.96Å; T600-Q650 PolarHBondContact OG1-O 2.76Å; T600-V652 HydrophobicContact CG2-CG1 4.36Å | ||
| 601 | G | 84.9 | Confident | 84.2 | Confident | 17 Ų | 17 | 57 Ų | 57 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I599 Q650 | I599-G601 WeakPolarHBondContact CG2-O 3.29Å; G601-Q650 PolarHBondContact N-O 3.31Å; G601-Q650 PolarHBondContact O-N 2.99Å |
| 602 | Y | 90.9 | Very high | 83.5 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 6% | 0.059 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 144.1 | 179.4 | -66 | -91.2 | 0 | 0 | 0 | 111.6 | P572 W589 P591 I599 T619 A620 P622 L630 V647 V648 A649 | P572-Y602 HydrophobicContact CG-CD1 4.26Å; P572-Y602 HydrophobicContact CG-CE1 4.02Å; W589-Y602 HydrophobicContact CZ2-CD1 4.24Å; W589-Y602 HydrophobicContact CZ2-CD2 4.2Å; W589-Y602 AromaticContact CZ2-CG 3.85Å; W589-Y602 HydrophobicContact CZ2-CG 3.85Å; W589-Y602 AromaticContact NE1-CD1 3.52Å; W589-Y602 AromaticContact NE1-CE1 3.51Å; W589-Y602 AromaticContact NE1-CG 3.93Å; W589-Y602 AromaticContact NE1-CZ 3.96Å; P591-Y602 WeakPolarHBondContact CA-OH 3.34Å; P591-Y602 WeakPolarHBondContact CB-OH 3.33Å; I599-Y602 WeakPolarHBondContact CD1-OH 3.27Å; I599-Y602 HydrophobicContact CG2-CD2 4.41Å; I599-Y602 HydrophobicContact CG2-CE1 4.22Å; I599-Y602 HydrophobicContact CG2-CE2 3.69Å; I599-Y602 WeakPolarHBondContact CG2-OH 3.5Å; Y602-T619 CarbonylContact O-C 3.56Å; Y602-A620 PolarHBondContact O-N 3.35Å; Y602-P622 HydrophobicContact CD2-CG 3.59Å; Y602-P622 HydrophobicContact CE2-CG 3.96Å; Y602-L630 HydrophobicContact CD2-CD1 4.33Å; Y602-L630 HydrophobicContact CE2-CD1 3.5Å; Y602-V647 HydrophobicContact CD1-CG1 3.64Å; Y602-V647 HydrophobicContact CG-CG1 4.07Å; Y602-V648 CarbonylContact C-O 3.53Å; Y602-V648 WeakPolarHBondContact CA-O 3.26Å; Y602-A649 HydrophobicContact CD1-CB 3.92Å; Y602-A649 HydrophobicContact CE1-CB 3.59Å |
| 603 | I | 90.6 | Very high | 83.4 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 11% | 0.113 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.5 | 173.5 | -56 | -171.9 | 0 | 0 | 0 | 108.1 | Q605 V616 T619 V647 V648 L655 | I603-Q605 HydrophobicContact CG2-CG 4.36Å; I603-V616 HydrophobicContact CG2-CB 4.23Å; I603-V616 HydrophobicContact CG2-CG1 3.5Å; I603-V616 HydrophobicContact CG2-CG2 3.75Å; I603-T619 HydrophobicContact CG1-CG2 4.39Å; I603-V647 CarbonylContact O-C 3.52Å; I603-V647 WeakPolarHBondContact O-CA 3.39Å; I603-V648 HydrophobicContact CB-CB 4.38Å; I603-V648 PolarHBondContact N-O 3.35Å; I603-V648 PolarHBondContact O-N 2.8Å; I603-L655 HydrophobicContact CD1-CD1 4.03Å; I603-L655 HydrophobicContact CD1-CD2 3.46Å; I603-L655 VanDerWaalsContact CD1-CD2 3.46Å; I603-L655 HydrophobicContact CD1-CG 4.41Å; I603-L655 HydrophobicContact CG1-CD2 4.18Å |
| 604 | V | 91.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 124.8 | 174.4 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | L587 I617 D618 A620 V634 F645 V647 | L587-V604 HydrophobicContact CD1-CG1 3.65Å; V604-I617 HydrophobicContact CB-CG1 4.41Å; V604-I617 HydrophobicContact CG1-CD1 4.19Å; V604-I617 HydrophobicContact CG1-CG1 4.09Å; V604-I617 WeakPolarHBondContact O-CG1 3.26Å; V604-I617 PolarHBondContact O-N 2.66Å; V604-D618 HydrophobicContact CB-CB 4.26Å; V604-D618 PolarHBondContact N-O 2.96Å; V604-D618 PolarHBondContact O-N 3.49Å; V604-A620 HydrophobicContact CG2-CB 3.92Å; V604-V634 HydrophobicContact CB-CG2 4.42Å; V604-V634 HydrophobicContact CG1-CG2 3.96Å; V604-V634 HydrophobicContact CG2-CG2 4.44Å; V604-F645 HydrophobicContact CG1-CD1 4.37Å; V604-V647 HydrophobicContact CG2-CG2 4.38Å |
| 605 | Q | 93.1 | Very high | 84.1 | Confident | 30 Ų | 30 | 57.5 Ų | 57.5 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.2 | 174.1 | -65.6 | -178.2 | -17.7 | 0 | 0 | 110.1 | I603 W614 Q615 V616 F645 R646 | I603-Q605 HydrophobicContact CG2-CG 4.36Å; Q605-W614 HydrophobicContact CB-CB 4.34Å; Q605-W614 HydrophobicContact CB-CE3 4.24Å; Q605-Q615 CarbonylContact C-O 3.57Å; Q605-Q615 WeakPolarHBondContact CA-O 3.15Å; Q605-Q615 WeakPolarHBondContact CB-O 3.49Å; Q605-V616 HydrophobicContact CG-CG2 3.93Å; Q605-F645 CarbonylContact O-C 3.5Å; Q605-F645 WeakPolarHBondContact O-CA 3.4Å; Q605-R646 HydrophobicContact CB-CG 3.95Å; Q605-R646 PolarHBondContact N-O 3.38Å; Q605-R646 PolarHBondContact O-N 2.82Å; Q605-R646 VanDerWaalsContact O-O 3.14Å; Q605-R646 VanDerWaalsContact OE1-CZ 3.26Å |
| 606 | A | 90.2 | Very high | 84.6 | Confident | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.025 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 159.1 | 170 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q615 I617 Y643 E644 F645 | A606-Q615 PolarHBondContact N-O 2.87Å; A606-Q615 PolarHBondContact O-N 2.91Å; A606-I617 HydrophobicContact CB-CD1 3.46Å; A606-I617 VanDerWaalsContact CB-CD1 3.46Å; A606-I617 HydrophobicContact CB-CG1 4.04Å; A606-I617 HydrophobicContact CB-CG2 4.05Å; A606-Y643 HydrophobicContact CB-CD1 3.93Å; A606-E644 CarbonylContact C-O 3.53Å; A606-E644 WeakPolarHBondContact CA-O 3.35Å; A606-E644 WeakPolarHBondContact CB-O 3.46Å; A606-F645 HydrophobicContact CB-CD1 3.69Å; A606-F645 HydrophobicContact CB-CE1 3.87Å; A606-F645 HydrophobicContact CB-CG 4.49Å |
| 607 | R | 92.3 | Very high | 85.2 | Confident | 89 Ų | 89 | 57.3 Ų | 57.3 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.2 | 175.8 | -178.4 | 175.4 | 65.4 | -179.6 | 0.5 | 109.1 | W614 E644 | R607-W614 HydrophobicContact CB-CD2 4.03Å; R607-W614 HydrophobicContact CB-CE3 3.82Å; R607-W614 HydrophobicContact CB-CH2 4.35Å; R607-W614 HydrophobicContact CB-CZ3 4.01Å; R607-E644 IonicContact CZ-OE1 3.98Å; R607-E644 IonicContact CZ-OE2 3.99Å; R607-E644 PolarHBondContact N-O 2.8Å; R607-E644 IonicContact NE-OE1 3.21Å; R607-E644 IonicContact NE-OE2 3.47Å; R607-E644 VanDerWaalsContact NH2-CD 3.28Å; R607-E644 IonicContact NH2-OE1 3.47Å; R607-E644 PolarHBondContact NH2-OE1 3.28Å; R607-E644 VanDerWaalsContact NH2-OE1 3.15Å; R607-E644 IonicContact NH2-OE2 3.5Å; R607-E644 PolarHBondContact NH2-OE2 3.11Å; R607-E644 PolarHBondContact O-N 3.46Å |
| 608 | T | 87.4 | Confident | 85.2 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 13% | 0.129 | 33% | 0.326 | C | S | . | . | trans | -113.8 | 166.6 | 172.9 | 71.8 | 0 | 0 | 0 | 0 | 109.9 | F610 T611 V641 Y643 | T608-F610 PolarHBondContact O-N 2.81Å; T608-F610 VanDerWaalsContact O-N 3.12Å; T608-F610 PolarHBondContact OG1-N 2.81Å; T608-T611 PolarHBondContact N-OG1 2.91Å; T608-T611 PolarHBondContact O-N 3.06Å; T608-T611 PolarHBondContact O-OG1 2.76Å; T608-T611 WeakPolarHBondContact OG1-CG2 3.28Å; T608-T611 PolarHBondContact OG1-N 3.2Å; T608-T611 PolarHBondContact OG1-OG1 3.37Å; T608-V641 HydrophobicContact CG2-CG1 3.79Å; T608-Y643 HydrophobicContact CG2-CD1 3.53Å; T608-Y643 HydrophobicContact CG2-CE1 3.33Å; T608-Y643 HydrophobicContact CG2-CG 4.21Å | ||
| 609 | P | 81.9 | Confident | 85.1 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 59% | 0.591 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.3 | 173 | -25.6 | 34.8 | 0 | 0 | 0 | 114.2 | E642 | P609-E642 WeakPolarHBondContact CD-O 3.32Š|
| 610 | F | 80.1 | Confident | 84 | Confident | 170 Ų | 170 | 58.2 Ų | 58.2 | 75% | 0.746 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -9.8 | -175.7 | -49.7 | -64.2 | 0 | 0 | 0 | 113.5 | T608 V641 | T608-F610 PolarHBondContact O-N 2.81Å; T608-F610 VanDerWaalsContact O-N 3.12Å; T608-F610 PolarHBondContact OG1-N 2.81Å; F610-V641 HydrophobicContact CE2-CG1 4.45Å; F610-V641 HydrophobicContact CE2-CG2 4.47Å |
| 611 | T | 77.9 | Confident | 83.1 | Confident | 46 Ų | 46 | 60.4 Ų | 60.4 | 28% | 0.282 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -102.2 | 131.5 | -176.8 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | T608 G613 Q615 | T608-T611 PolarHBondContact N-OG1 2.91Å; T608-T611 PolarHBondContact O-N 3.06Å; T608-T611 PolarHBondContact O-OG1 2.76Å; T608-T611 WeakPolarHBondContact OG1-CG2 3.28Å; T608-T611 PolarHBondContact OG1-N 3.2Å; T608-T611 PolarHBondContact OG1-OG1 3.37Å; T611-G613 PolarHBondContact O-N 2.76Å; T611-Q615 HydrophobicContact CG2-CG 3.95Å |
| 612 | V | 72.3 | Confident | 82.5 | Confident | 149 Ų | 149 | 60.8 Ų | 60.8 | 90% | 0.903 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -79.6 | 85.8 | 171.4 | -174 | 0 | 0 | 0 | 0 | 108.5 | ||
| 613 | G | 82.1 | Confident | 81.7 | Confident | 34 Ų | 34 | 67.1 Ų | 67.1 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 99.1 | -176.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T611 | T611-G613 PolarHBondContact O-N 2.76Š|
| 614 | W | 88.3 | Confident | 80.9 | Confident | 57 Ų | 57 | 71.3 Ų | 71.3 | 22% | 0.216 | 39% | 0.391 | C | S | . | . | trans | -78.2 | 126.9 | -178.1 | -67.2 | 96.5 | 0 | 0 | 0 | 111.4 | Q605 R607 E644 R646 A661 | Q605-W614 HydrophobicContact CB-CB 4.34Å; Q605-W614 HydrophobicContact CB-CE3 4.24Å; R607-W614 HydrophobicContact CB-CD2 4.03Å; R607-W614 HydrophobicContact CB-CE3 3.82Å; R607-W614 HydrophobicContact CB-CH2 4.35Å; R607-W614 HydrophobicContact CB-CZ3 4.01Å; W614-E644 HydrophobicContact CH2-CB 3.73Å; W614-E644 HydrophobicContact CZ3-CB 4.14Å; W614-E644 VanDerWaalsContact CZ3-O 3.26Å; W614-E644 WeakPolarHBondContact CZ3-O 3.13Å; W614-R646 VanDerWaalsContact CD2-CD 3.45Å; W614-R646 HydrophobicContact CD2-CG 4.04Å; W614-R646 VanDerWaalsContact CD2-NE 3.32Å; W614-R646 HydrophobicContact CE3-CB 4.44Å; W614-R646 HydrophobicContact CE3-CG 3.63Å; W614-R646 VanDerWaalsContact CG-NE 3.33Å; W614-R646 HydrophobicContact CH2-CB 4.18Å; W614-R646 HydrophobicContact CH2-CG 4.15Å; W614-R646 HydrophobicContact CZ3-CB 3.99Å; W614-R646 HydrophobicContact CZ3-CG 3.67Å; W614-A661 HydrophobicContact CH2-CB 3.52Å; W614-A661 HydrophobicContact CZ2-CB 3.74Å | ||
| 615 | Q | 86 | Confident | 79.9 | Confident | 94 Ų | 94 | 74.1 Ų | 74.1 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 140.4 | 177.7 | -59.3 | -56.1 | -51.2 | 0 | 0 | 110 | Q605 A606 T611 I617 | Q605-Q615 CarbonylContact C-O 3.57Å; Q605-Q615 WeakPolarHBondContact CA-O 3.15Å; Q605-Q615 WeakPolarHBondContact CB-O 3.49Å; A606-Q615 PolarHBondContact N-O 2.87Å; A606-Q615 PolarHBondContact O-N 2.91Å; T611-Q615 HydrophobicContact CG2-CG 3.95Å; Q615-I617 PolarHBondContact O-N 3.01Å |
| 616 | V | 88.4 | Confident | 78.3 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 51% | 0.509 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 123.1 | 169.4 | 176.7 | 0 | 0 | 0 | 0 | 107.9 | I603 Q605 | I603-V616 HydrophobicContact CG2-CB 4.23Å; I603-V616 HydrophobicContact CG2-CG1 3.5Å; I603-V616 HydrophobicContact CG2-CG2 3.75Å; Q605-V616 HydrophobicContact CG-CG2 3.93Å |
| 617 | I | 82.6 | Confident | 76.8 | Confident | 56 Ų | 56 | 83.9 Ų | 83.9 | 29% | 0.287 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -20.8 | -177.9 | 58.8 | 161.8 | 0 | 0 | 0 | 112.6 | V604 A606 Q615 V634 L637 F645 | V604-I617 HydrophobicContact CB-CG1 4.41Å; V604-I617 HydrophobicContact CG1-CD1 4.19Å; V604-I617 HydrophobicContact CG1-CG1 4.09Å; V604-I617 WeakPolarHBondContact O-CG1 3.26Å; V604-I617 PolarHBondContact O-N 2.66Å; A606-I617 HydrophobicContact CB-CD1 3.46Å; A606-I617 VanDerWaalsContact CB-CD1 3.46Å; A606-I617 HydrophobicContact CB-CG1 4.04Å; A606-I617 HydrophobicContact CB-CG2 4.05Å; Q615-I617 PolarHBondContact O-N 3.01Å; I617-V634 HydrophobicContact CD1-CG1 3.56Å; I617-V634 HydrophobicContact CG1-CG1 4.13Å; I617-L637 HydrophobicContact CD1-CD2 4.29Å; I617-F645 HydrophobicContact CD1-CD1 3.7Å; I617-F645 HydrophobicContact CD1-CE1 3.47Å; I617-F645 VanDerWaalsContact CD1-CE1 3.47Å |
| 618 | D | 79.9 | Confident | 76 | Confident | 49 Ų | 49 | 85.2 Ų | 85.2 | 26% | 0.262 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 155 | 173.7 | -162.4 | 9 | 0 | 0 | 0 | 111.6 | V604 V634 | V604-D618 HydrophobicContact CB-CB 4.26Å; V604-D618 PolarHBondContact N-O 2.96Å; V604-D618 PolarHBondContact O-N 3.49Å; D618-V634 HydrophobicContact CB-CG1 4.12Å; D618-V634 HydrophobicContact CB-CG2 4.41Å |
| 619 | T | 78.2 | Confident | 75.7 | Confident | 97 Ų | 97 | 87.6 Ų | 87.6 | 60% | 0.595 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 94.1 | 166.4 | 51.8 | 0 | 0 | 0 | 0 | 107.2 | Y602 I603 | Y602-T619 CarbonylContact O-C 3.56Å; I603-T619 HydrophobicContact CG1-CG2 4.39Å |
| 620 | A | 63.7 | Low | 76 | Confident | 6 Ų | 6 | 84 Ų | 84 | 5% | 0.05 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 137.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W589 Y602 V604 P622 A632 | W589-A620 HydrophobicContact CH2-CB 4.19Å; Y602-A620 PolarHBondContact O-N 3.35Å; V604-A620 HydrophobicContact CG2-CB 3.92Å; A620-P622 VanDerWaalsContact O-CD 3.29Å; A620-P622 WeakPolarHBondContact O-CD 3.24Å; A620-A632 HydrophobicContact CB-CB 3.6Å |
| 621 | V | 64.3 | Low | 76.3 | Confident | 139 Ų | 139 | 76.9 Ų | 76.9 | 84% | 0.842 | 45% | 0.45 | S | S | * | . | trans | -100.9 | 92.4 | 158.3 | -177.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 622 | P | 71.1 | Confident | 76.8 | Confident | 24 Ų | 24 | 75.2 Ų | 75.2 | 16% | 0.156 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 145.5 | -172.1 | 27.7 | -33.5 | 0 | 0 | 0 | 111.7 | W589 Y602 A620 L630 T631 | W589-P622 HydrophobicContact CH2-CB 4.11Å; W589-P622 HydrophobicContact CZ2-CB 3.9Å; W589-P622 HydrophobicContact CZ2-CG 4.04Å; Y602-P622 HydrophobicContact CD2-CG 3.59Å; Y602-P622 HydrophobicContact CE2-CG 3.96Å; A620-P622 VanDerWaalsContact O-CD 3.29Å; A620-P622 WeakPolarHBondContact O-CD 3.24Å; P622-L630 HydrophobicContact CB-CB 3.79Å; P622-L630 HydrophobicContact CB-CD1 4.39Å; P622-L630 HydrophobicContact CB-CD2 4.11Å; P622-L630 HydrophobicContact CB-CG 4.31Å; P622-L630 HydrophobicContact CG-CB 4.2Å; P622-L630 HydrophobicContact CG-CD1 3.87Å; P622-L630 HydrophobicContact CG-CD2 4.05Å; P622-L630 HydrophobicContact CG-CG 4.26Å; P622-T631 WeakPolarHBondContact CA-O 3.23Å |
| 623 | E | 74.9 | Confident | 77.5 | Confident | 149 Ų | 149 | 71.7 Ų | 71.7 | 70% | 0.696 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 142 | 169.9 | -64.6 | -173.8 | 173.4 | 0 | 0 | 110 | L630 T631 | E623-L630 WeakPolarHBondContact O-CA 3.39Å; E623-T631 PolarHBondContact N-O 2.83Å; E623-T631 PolarHBondContact O-N 3.3Å |
| 624 | V | 73.1 | Confident | 77.9 | Confident | 109 Ų | 109 | 70.1 Ų | 70.1 | 66% | 0.661 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 121 | 177 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | L630 | V624-L630 HydrophobicContact CB-CD2 4.45Å; V624-L630 HydrophobicContact CG2-CD2 3.72Å |
| 625 | V | 69.4 | Low | 77.7 | Confident | 59 Ų | 59 | 72 Ų | 72 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.9 | 176.2 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | M629 T631 | V625-M629 PolarHBondContact N-O 2.82Å; V625-M629 PolarHBondContact O-N 2.93Å; V625-M629 VanDerWaalsContact O-O 3.12Å; V625-T631 HydrophobicContact CB-CG2 4.49Å; V625-T631 HydrophobicContact CG2-CG2 3.95Å; V625-T631 WeakPolarHBondContact CG2-OG1 3.48Å |
| 626 | N | 60.5 | Low | 77.7 | Confident | 160 Ų | 160 | 70.7 Ų | 70.7 | 86% | 0.856 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 22 | 97.2 | 174 | -73.6 | -9.5 | 0 | 0 | 0 | 116.8 | ||
| 627 | G | 58.3 | Low | 77.6 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 80% | 0.804 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 55.5 | 166 | 0 | 0 | 0 | 0 | 0 | 115.4 | M629 | G627-M629 VanDerWaalsContact C-N 3.31Å; G627-M629 PolarHBondContact O-N 3.31Å |
| 628 | N | 75.3 | Confident | 77.8 | Confident | 117 Ų | 117 | 69.7 Ų | 69.7 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 9.3 | 175 | -78 | 3.4 | 0 | 0 | 0 | 117.1 | P591 | P591-N628 WeakPolarHBondContact CD-O 3.38Š|
| 629 | M | 82.1 | Confident | 78.1 | Confident | 72 Ų | 72 | 69.5 Ų | 69.5 | 36% | 0.355 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 136.4 | 171.1 | -162.6 | 169.6 | 73.7 | 0 | 0 | 110.5 | V625 G627 | V625-M629 PolarHBondContact N-O 2.82Å; V625-M629 PolarHBondContact O-N 2.93Å; V625-M629 VanDerWaalsContact O-O 3.12Å; G627-M629 VanDerWaalsContact C-N 3.31Å; G627-M629 PolarHBondContact O-N 3.31Å |
| 630 | L | 88.7 | Confident | 78.4 | Confident | 16 Ų | 16 | 72.3 Ų | 72.3 | 8% | 0.084 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 137.4 | -179.4 | -69.7 | 179.4 | 0 | 0 | 0 | 109.7 | S588 W589 P591 Y602 P622 E623 V624 | S588-L630 CarbonylContact C-O 3.55Å; S588-L630 VanDerWaalsContact CA-O 3.27Å; S588-L630 WeakPolarHBondContact CA-O 3.4Å; W589-L630 HydrophobicContact CD2-CB 4.44Å; W589-L630 HydrophobicContact CZ2-CB 4.48Å; W589-L630 PolarHBondContact N-O 2.94Å; W589-L630 WeakPolarHBondContact O-CB 3.44Å; W589-L630 PolarHBondContact O-N 2.87Å; P591-L630 HydrophobicContact CB-CD1 3.92Å; P591-L630 HydrophobicContact CG-CD1 4.24Å; Y602-L630 HydrophobicContact CD2-CD1 4.33Å; Y602-L630 HydrophobicContact CE2-CD1 3.5Å; P622-L630 HydrophobicContact CB-CB 3.79Å; P622-L630 HydrophobicContact CB-CD1 4.39Å; P622-L630 HydrophobicContact CB-CD2 4.11Å; P622-L630 HydrophobicContact CB-CG 4.31Å; P622-L630 HydrophobicContact CG-CB 4.2Å; P622-L630 HydrophobicContact CG-CD1 3.87Å; P622-L630 HydrophobicContact CG-CD2 4.05Å; P622-L630 HydrophobicContact CG-CG 4.26Å; E623-L630 WeakPolarHBondContact O-CA 3.39Å; V624-L630 HydrophobicContact CB-CD2 4.45Å; V624-L630 HydrophobicContact CG2-CD2 3.72Å |
| 631 | T | 85.6 | Confident | 79.5 | Confident | 20 Ų | 20 | 73 Ų | 73 | 12% | 0.123 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141.5 | 177 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | L587 P622 E623 V625 | L587-T631 CarbonylContact O-C 3.59Å; L587-T631 WeakPolarHBondContact O-CA 3.24Å; P622-T631 WeakPolarHBondContact CA-O 3.23Å; E623-T631 PolarHBondContact N-O 2.83Å; E623-T631 PolarHBondContact O-N 3.3Å; V625-T631 HydrophobicContact CB-CG2 4.49Å; V625-T631 HydrophobicContact CG2-CG2 3.95Å; V625-T631 WeakPolarHBondContact CG2-OG1 3.48Å |
| 632 | A | 87.8 | Confident | 80.8 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 144 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | L587 W589 A620 | L587-A632 PolarHBondContact N-O 2.89Å; L587-A632 PolarHBondContact O-N 2.84Å; W589-A632 HydrophobicContact CH2-CB 3.62Å; W589-A632 HydrophobicContact CZ3-CB 3.9Å; A620-A632 HydrophobicContact CB-CB 3.6Å |
| 633 | T | 88.4 | Confident | 81.7 | Confident | 75 Ų | 75 | 69.1 Ų | 69.1 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 114.6 | 177 | -55.3 | 0 | 0 | 0 | 0 | 110 | A585 V635 | A585-T633 WeakPolarHBondContact O-CA 3.25Å; T633-V635 HydrophobicContact CG2-CG1 4.43Å |
| 634 | V | 89.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 131.5 | 173.8 | -174 | 0 | 0 | 0 | 0 | 109 | T584 A585 L587 V604 I617 D618 L637 | T584-V634 CarbonylContact C-O 3.59Å; T584-V634 WeakPolarHBondContact CA-O 3.29Å; T584-V634 WeakPolarHBondContact CB-O 3.5Å; A585-V634 PolarHBondContact N-O 2.83Å; A585-V634 PolarHBondContact O-N 3.02Å; L587-V634 HydrophobicContact CD1-CG2 3.68Å; L587-V634 HydrophobicContact CG-CG2 4.26Å; V604-V634 HydrophobicContact CB-CG2 4.42Å; V604-V634 HydrophobicContact CG1-CG2 3.96Å; V604-V634 HydrophobicContact CG2-CG2 4.44Å; I617-V634 HydrophobicContact CD1-CG1 3.56Å; I617-V634 HydrophobicContact CG1-CG1 4.13Å; D618-V634 HydrophobicContact CB-CG1 4.12Å; D618-V634 HydrophobicContact CB-CG2 4.41Å; V634-L637 HydrophobicContact CG1-CD2 4.26Å |
| 635 | V | 84.7 | Confident | 83.6 | Confident | 98 Ų | 98 | 58 Ų | 58 | 59% | 0.594 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 160.5 | -179 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | S583 T584 T633 | S583-V635 CarbonylContact O-C 3.47Å; T584-V635 HydrophobicContact CG2-CB 4.28Å; T584-V635 HydrophobicContact CG2-CG1 3.91Å; T633-V635 HydrophobicContact CG2-CG1 4.43Å |
| 636 | G | 85 | Confident | 84.8 | Confident | 66 Ų | 66 | 57.8 Ų | 57.8 | 68% | 0.68 | 34% | 0.337 | S | S | * | . | trans | 81.7 | 27.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S583 | S583-G636 PolarHBondContact O-N 2.83Š| ||
| 637 | L | 87 | Confident | 86.3 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 154.6 | 170.8 | -56.3 | -178.5 | 0 | 0 | 0 | 110.7 | S583 A585 I617 V634 Y643 F645 T667 | S583-L637 WeakPolarHBondContact CA-O 3.48Å; S583-L637 PolarHBondContact O-N 2.87Å; A585-L637 HydrophobicContact CB-CD1 3.58Å; I617-L637 HydrophobicContact CD1-CD2 4.29Å; V634-L637 HydrophobicContact CG1-CD2 4.26Å; L637-Y643 HydrophobicContact CB-CE2 4.16Å; L637-Y643 HydrophobicContact CD2-CD1 4.3Å; L637-Y643 HydrophobicContact CD2-CE1 3.9Å; L637-Y643 HydrophobicContact CD2-CE2 4.37Å; L637-F645 HydrophobicContact CD1-CZ 3.97Å; L637-F645 HydrophobicContact CD2-CE1 4.3Å; L637-F645 HydrophobicContact CD2-CZ 4.42Å; L637-T667 HydrophobicContact CB-CG2 3.91Å; L637-T667 HydrophobicContact CD1-CG2 3.97Å |
| 638 | N | 87.9 | Confident | 87.8 | Confident | 106 Ų | 106 | 46.8 Ų | 46.8 | 57% | 0.567 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -89.2 | 134.1 | 175 | -66.4 | -47.3 | 0 | 0 | 0 | 109.7 | D582 V641 Y643 T667 | D582-N638 CarbonylContact O-C 3.14Å; N638-V641 HydrophobicContact CB-CB 4.43Å; N638-V641 HydrophobicContact CB-CG2 3.84Å; N638-Y643 PolarHBondContact N-OH 2.88Å; N638-T667 PolarHBondContact O-OG1 3.29Å |
| 639 | A | 85 | Confident | 88.5 | Confident | 45 Ų | 45 | 41.2 Ų | 41.2 | 37% | 0.372 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 146.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | D582 V641 T667 | D582-A639 HydrophobicContact CB-CB 3.97Å; D582-A639 WeakPolarHBondContact O-CA 3.31Å; D582-A639 PolarHBondContact O-N 2.82Å; A639-V641 PolarHBondContact O-N 2.88Å; A639-T667 WeakPolarHBondContact CA-OG1 3.31Å |
| 640 | W | 84.2 | Confident | 88.7 | Confident | 156 Ų | 156 | 41.5 Ų | 41.5 | 59% | 0.591 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 20.1 | 178.1 | -54.1 | 95.3 | 0 | 0 | 0 | 115.6 | T667 | W640-T667 WeakPolarHBondContact CA-O 3.29Å; W640-T667 PolarHBondContact N-O 3.42Å; W640-T667 PolarHBondContact N-OG1 3.37Å |
| 641 | V | 87.4 | Confident | 88.6 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | trans | -108.4 | 139.1 | 179.8 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | T608 F610 N638 A639 Y643 R666 T667 | T608-V641 HydrophobicContact CG2-CG1 3.79Å; F610-V641 HydrophobicContact CE2-CG1 4.45Å; F610-V641 HydrophobicContact CE2-CG2 4.47Å; N638-V641 HydrophobicContact CB-CB 4.43Å; N638-V641 HydrophobicContact CB-CG2 3.84Å; A639-V641 PolarHBondContact O-N 2.88Å; V641-Y643 HydrophobicContact CB-CD2 4.28Å; V641-Y643 HydrophobicContact CB-CE2 3.64Å; V641-Y643 HydrophobicContact CG1-CD2 4.13Å; V641-Y643 HydrophobicContact CG1-CE2 3.67Å; V641-Y643 WeakPolarHBondContact O-CD2 3.27Å; V641-R666 WeakPolarHBondContact O-CA 3.47Å; V641-T667 PolarHBondContact N-OG1 3.48Å; V641-T667 PolarHBondContact O-N 2.89Å; V641-T667 PolarHBondContact O-OG1 3Å | ||
| 642 | E | 91 | Very high | 88.3 | Confident | 68 Ų | 68 | 45.3 Ų | 45.3 | 32% | 0.318 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 124.3 | 176.1 | -166.8 | 176.3 | -170.9 | 0 | 0 | 110.3 | P609 K664 T665 | P609-E642 WeakPolarHBondContact CD-O 3.32Å; E642-K664 HydrophobicContact CG-CB 3.85Å; E642-K664 HydrophobicContact CG-CD 4.41Å; E642-K664 HydrophobicContact CG-CG 4.41Å; E642-K664 WeakPolarHBondContact OE1-CB 3.22Å; E642-K664 WeakPolarHBondContact OE1-CD 3.27Å; E642-T665 WeakPolarHBondContact CA-O 3.32Å |
| 643 | Y | 91.4 | Very high | 87.9 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.8 | -179.3 | -72.4 | -93.6 | 0 | 0 | 0 | 111.2 | A606 T608 L637 N638 V641 F645 K664 T665 T667 | A606-Y643 HydrophobicContact CB-CD1 3.93Å; T608-Y643 HydrophobicContact CG2-CD1 3.53Å; T608-Y643 HydrophobicContact CG2-CE1 3.33Å; T608-Y643 HydrophobicContact CG2-CG 4.21Å; L637-Y643 HydrophobicContact CB-CE2 4.16Å; L637-Y643 HydrophobicContact CD2-CD1 4.3Å; L637-Y643 HydrophobicContact CD2-CE1 3.9Å; L637-Y643 HydrophobicContact CD2-CE2 4.37Å; N638-Y643 PolarHBondContact N-OH 2.88Å; V641-Y643 HydrophobicContact CB-CD2 4.28Å; V641-Y643 HydrophobicContact CB-CE2 3.64Å; V641-Y643 HydrophobicContact CG1-CD2 4.13Å; V641-Y643 HydrophobicContact CG1-CE2 3.67Å; V641-Y643 WeakPolarHBondContact O-CD2 3.27Å; Y643-F645 VanDerWaalsContact CB-CE2 3.46Å; Y643-F645 VanDerWaalsContact CB-CZ 3.42Å; Y643-F645 HydrophobicContact CD1-CE1 4.37Å; Y643-F645 HydrophobicContact CD1-CZ 4.22Å; Y643-F645 HydrophobicContact CG-CE1 4.48Å; Y643-F645 HydrophobicContact CG-CE2 4.4Å; Y643-F645 AromaticContact CG-CZ 3.89Å; Y643-F645 HydrophobicContact CG-CZ 3.89Å; Y643-K664 WeakPolarHBondContact O-CA 3.42Å; Y643-T665 PolarHBondContact N-O 3.03Å; Y643-T665 PolarHBondContact O-N 2.91Å; Y643-T667 HydrophobicContact CD2-CG2 3.96Å; Y643-T667 HydrophobicContact CE2-CG2 3.9Å |
| 644 | E | 94.1 | Very high | 87.4 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 12% | 0.121 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136 | 156.5 | -62.5 | 176.7 | -139.2 | 0 | 0 | 108.2 | A606 R607 W614 K664 | A606-E644 CarbonylContact C-O 3.53Å; A606-E644 WeakPolarHBondContact CA-O 3.35Å; A606-E644 WeakPolarHBondContact CB-O 3.46Å; R607-E644 IonicContact CZ-OE1 3.98Å; R607-E644 IonicContact CZ-OE2 3.99Å; R607-E644 PolarHBondContact N-O 2.8Å; R607-E644 IonicContact NE-OE1 3.21Å; R607-E644 IonicContact NE-OE2 3.47Å; R607-E644 VanDerWaalsContact NH2-CD 3.28Å; R607-E644 IonicContact NH2-OE1 3.47Å; R607-E644 PolarHBondContact NH2-OE1 3.28Å; R607-E644 VanDerWaalsContact NH2-OE1 3.15Å; R607-E644 IonicContact NH2-OE2 3.5Å; R607-E644 PolarHBondContact NH2-OE2 3.11Å; R607-E644 PolarHBondContact O-N 3.46Å; W614-E644 HydrophobicContact CH2-CB 3.73Å; W614-E644 HydrophobicContact CZ3-CB 4.14Å; W614-E644 VanDerWaalsContact CZ3-O 3.26Å; W614-E644 WeakPolarHBondContact CZ3-O 3.13Å; E644-K664 HydrophobicContact CG-CB 4.32Å; E644-K664 HydrophobicContact CG-CD 4.43Å; E644-K664 HydrophobicContact CG-CG 3.37Å; E644-K664 WeakPolarHBondContact OE1-CE 3.27Å; E644-K664 IonicContact OE1-NZ 2.75Å |
| 645 | F | 93.4 | Very high | 87 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 150.1 | 178.7 | -59.1 | -85.7 | 0 | 0 | 0 | 110.8 | V575 V577 A585 L587 V604 Q605 A606 I617 L637 Y643 A661 S662 | V575-F645 HydrophobicContact CG1-CB 4.21Å; V575-F645 WeakPolarHBondContact CG1-O 3.32Å; V577-F645 HydrophobicContact CG2-CD2 3.88Å; V577-F645 HydrophobicContact CG2-CE2 4.27Å; A585-F645 HydrophobicContact CB-CE2 4.39Å; A585-F645 HydrophobicContact CB-CZ 4.03Å; L587-F645 HydrophobicContact CD1-CB 4.06Å; L587-F645 HydrophobicContact CD1-CD1 3.94Å; L587-F645 HydrophobicContact CD1-CG 4.02Å; L587-F645 HydrophobicContact CD2-CB 4.37Å; L587-F645 HydrophobicContact CD2-CD2 4.02Å; L587-F645 HydrophobicContact CD2-CE2 4.46Å; L587-F645 HydrophobicContact CD2-CG 4.06Å; V604-F645 HydrophobicContact CG1-CD1 4.37Å; Q605-F645 CarbonylContact O-C 3.5Å; Q605-F645 WeakPolarHBondContact O-CA 3.4Å; A606-F645 HydrophobicContact CB-CD1 3.69Å; A606-F645 HydrophobicContact CB-CE1 3.87Å; A606-F645 HydrophobicContact CB-CG 4.49Å; I617-F645 HydrophobicContact CD1-CD1 3.7Å; I617-F645 HydrophobicContact CD1-CE1 3.47Å; I617-F645 VanDerWaalsContact CD1-CE1 3.47Å; L637-F645 HydrophobicContact CD1-CZ 3.97Å; L637-F645 HydrophobicContact CD2-CE1 4.3Å; L637-F645 HydrophobicContact CD2-CZ 4.42Å; Y643-F645 VanDerWaalsContact CB-CE2 3.46Å; Y643-F645 VanDerWaalsContact CB-CZ 3.42Å; Y643-F645 HydrophobicContact CD1-CE1 4.37Å; Y643-F645 HydrophobicContact CD1-CZ 4.22Å; Y643-F645 HydrophobicContact CG-CE1 4.48Å; Y643-F645 HydrophobicContact CG-CE2 4.4Å; Y643-F645 AromaticContact CG-CZ 3.89Å; Y643-F645 HydrophobicContact CG-CZ 3.89Å; F645-A661 CarbonylContact O-C 3.56Å; F645-A661 WeakPolarHBondContact O-CA 3.46Å; F645-S662 PolarHBondContact N-OG 3.05Å; F645-S662 PolarHBondContact O-N 3Å |
| 646 | R | 94.3 | Very high | 87 | Confident | 53 Ų | 53 | 45.6 Ų | 45.6 | 20% | 0.2 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 155.5 | 165.9 | 72.9 | -175.5 | -170.4 | 170.1 | -1.3 | 109.7 | Q605 W614 P658 S659 | Q605-R646 HydrophobicContact CB-CG 3.95Å; Q605-R646 PolarHBondContact N-O 3.38Å; Q605-R646 PolarHBondContact O-N 2.82Å; Q605-R646 VanDerWaalsContact O-O 3.14Å; Q605-R646 VanDerWaalsContact OE1-CZ 3.26Å; W614-R646 VanDerWaalsContact CD2-CD 3.45Å; W614-R646 HydrophobicContact CD2-CG 4.04Å; W614-R646 VanDerWaalsContact CD2-NE 3.32Å; W614-R646 HydrophobicContact CE3-CB 4.44Å; W614-R646 HydrophobicContact CE3-CG 3.63Å; W614-R646 VanDerWaalsContact CG-NE 3.33Å; W614-R646 HydrophobicContact CH2-CB 4.18Å; W614-R646 HydrophobicContact CH2-CG 4.15Å; W614-R646 HydrophobicContact CZ3-CB 3.99Å; W614-R646 HydrophobicContact CZ3-CG 3.67Å; R646-P658 HydrophobicContact CG-CB 4.37Å; R646-S659 WeakPolarHBondContact CA-OG 3.46Å |
| 647 | V | 91.8 | Very high | 87 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.4 | -175.7 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | V575 W589 Y602 I603 V604 S659 | V575-V647 HydrophobicContact CB-CG2 4.07Å; V575-V647 HydrophobicContact CG1-CG2 4.49Å; V575-V647 HydrophobicContact CG2-CG2 3.98Å; W589-V647 HydrophobicContact CD2-CB 4.43Å; W589-V647 HydrophobicContact CD2-CG1 4.26Å; W589-V647 HydrophobicContact CD2-CG2 3.99Å; W589-V647 HydrophobicContact CE3-CG2 3.92Å; W589-V647 HydrophobicContact CH2-CG1 4.43Å; W589-V647 HydrophobicContact CH2-CG2 4.46Å; W589-V647 HydrophobicContact CZ2-CG1 3.87Å; W589-V647 HydrophobicContact CZ3-CG2 4.17Å; Y602-V647 HydrophobicContact CD1-CG1 3.64Å; Y602-V647 HydrophobicContact CG-CG1 4.07Å; I603-V647 CarbonylContact O-C 3.52Å; I603-V647 WeakPolarHBondContact O-CA 3.39Å; V604-V647 HydrophobicContact CG2-CG2 4.38Å; V647-S659 PolarHBondContact N-OG 3.1Å; V647-S659 PolarHBondContact O-N 3.2Å |
| 648 | V | 90.8 | Very high | 87.1 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.6 | 176.2 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | Y602 I603 L655 G656 P658 | Y602-V648 CarbonylContact C-O 3.53Å; Y602-V648 WeakPolarHBondContact CA-O 3.26Å; I603-V648 HydrophobicContact CB-CB 4.38Å; I603-V648 PolarHBondContact N-O 3.35Å; I603-V648 PolarHBondContact O-N 2.8Å; V648-L655 HydrophobicContact CG1-CB 4.07Å; V648-L655 HydrophobicContact CG1-CD2 4.48Å; V648-G656 WeakPolarHBondContact CG1-O 3.38Å; V648-P658 HydrophobicContact CG2-CB 3.94Å |
| 649 | A | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 147.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P569 P572 I599 Y602 G656 | P569-A649 HydrophobicContact CB-CB 3.59Å; P569-A649 HydrophobicContact CG-CB 4.06Å; P572-A649 HydrophobicContact CG-CB 4.06Å; I599-A649 HydrophobicContact CD1-CB 3.91Å; I599-A649 HydrophobicContact CG1-CB 4.25Å; I599-A649 HydrophobicContact CG2-CB 4.2Å; Y602-A649 HydrophobicContact CD1-CB 3.92Å; Y602-A649 HydrophobicContact CE1-CB 3.59Å; A649-G656 PolarHBondContact O-N 3.38Å |
| 650 | Q | 87.7 | Confident | 87.7 | Confident | 78 Ų | 78 | 47.1 Ų | 47.1 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.1 | 178.4 | -175.5 | 174.7 | 7.6 | 0 | 0 | 110.6 | I599 T600 G601 L655 | I599-Q650 CarbonylContact C-O 3.59Å; I599-Q650 WeakPolarHBondContact CG2-O 3.32Å; T600-Q650 PolarHBondContact N-O 2.96Å; T600-Q650 PolarHBondContact OG1-O 2.76Å; G601-Q650 PolarHBondContact N-O 3.31Å; G601-Q650 PolarHBondContact O-N 2.99Å; Q650-L655 HydrophobicContact CB-CD2 3.75Å; Q650-L655 HydrophobicContact CG-CD2 3.8Å |
| 651 | N | 84.6 | Confident | 88 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | -173.1 | 163.7 | 69.6 | 12.8 | 0 | 0 | 0 | 110.3 | C567 P569 D594 S597 P598 V653 G654 | C567-N651 PolarHBondContact O-ND2 3.21Å; P569-N651 VanDerWaalsContact CD-CG 3.46Å; P569-N651 HydrophobicContact CG-CB 3.76Å; D594-N651 PolarHBondContact O-ND2 2.82Å; S597-N651 PolarHBondContact O-ND2 2.88Å; S597-N651 VanDerWaalsContact O-ND2 3.07Å; P598-N651 VanDerWaalsContact O-CB 3.23Å; P598-N651 WeakPolarHBondContact O-CB 3.39Å; N651-V653 PolarHBondContact O-N 2.66Å; N651-V653 VanDerWaalsContact O-N 3.11Å; N651-V653 WeakPolarHBondContact OD1-CA 3.04Å; N651-V653 VanDerWaalsContact OD1-CB 3.28Å; N651-V653 WeakPolarHBondContact OD1-CB 3.39Å; N651-V653 PolarHBondContact OD1-N 3.44Å; N651-G654 PolarHBondContact N-O 2.97Å; N651-G654 VanDerWaalsContact N-O 3.11Å; N651-G654 PolarHBondContact O-N 3.08Å; N651-G654 VanDerWaalsContact O-N 3.13Å; N651-G654 PolarHBondContact OD1-N 2.81Å |
| 652 | V | 79.3 | Confident | 88.2 | Confident | 112 Ų | 112 | 40.6 Ų | 40.6 | 68% | 0.679 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.5 | 179 | -61.1 | 0 | 0 | 0 | 0 | 114.4 | T600 | T600-V652 HydrophobicContact CG2-CG1 4.36Š|
| 653 | V | 80.1 | Confident | 88.1 | Confident | 62 Ų | 62 | 40.6 Ų | 40.6 | 38% | 0.376 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -33.7 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 111 | S566 P568 N651 | S566-V653 WeakPolarHBondContact O-CG2 3.17Å; S566-V653 WeakPolarHBondContact OG-CG2 3.5Å; P568-V653 HydrophobicContact CG-CG1 3.99Å; N651-V653 PolarHBondContact O-N 2.66Å; N651-V653 VanDerWaalsContact O-N 3.11Å; N651-V653 WeakPolarHBondContact OD1-CA 3.04Å; N651-V653 VanDerWaalsContact OD1-CB 3.28Å; N651-V653 WeakPolarHBondContact OD1-CB 3.39Å; N651-V653 PolarHBondContact OD1-N 3.44Å |
| 654 | G | 77.4 | Confident | 88 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.2 | -162.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P569 N651 | P569-G654 WeakPolarHBondContact CD-O 3.31Å; N651-G654 PolarHBondContact N-O 2.97Å; N651-G654 VanDerWaalsContact N-O 3.11Å; N651-G654 PolarHBondContact O-N 3.08Å; N651-G654 VanDerWaalsContact O-N 3.13Å; N651-G654 PolarHBondContact OD1-N 2.81Å |
| 655 | L | 82.2 | Confident | 87.7 | Confident | 92 Ų | 92 | 46.3 Ų | 46.3 | 48% | 0.482 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 133.6 | 177.4 | -60.6 | 178 | 0 | 0 | 0 | 110.7 | I603 V648 Q650 | I603-L655 HydrophobicContact CD1-CD1 4.03Å; I603-L655 HydrophobicContact CD1-CD2 3.46Å; I603-L655 VanDerWaalsContact CD1-CD2 3.46Å; I603-L655 HydrophobicContact CD1-CG 4.41Å; I603-L655 HydrophobicContact CG1-CD2 4.18Å; V648-L655 HydrophobicContact CG1-CB 4.07Å; V648-L655 HydrophobicContact CG1-CD2 4.48Å; Q650-L655 HydrophobicContact CB-CD2 3.75Å; Q650-L655 HydrophobicContact CG-CD2 3.8Å |
| 656 | G | 83.9 | Confident | 87.5 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -174.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P569 V648 A649 | P569-G656 WeakPolarHBondContact O-CA 3.35Å; V648-G656 WeakPolarHBondContact CG1-O 3.38Å; A649-G656 PolarHBondContact O-N 3.38Å |
| 657 | E | 85.1 | Confident | 87 | Confident | 133 Ų | 133 | 49.7 Ų | 49.7 | 62% | 0.621 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 148.5 | 170.5 | -68.3 | -172.7 | 155.8 | 0 | 0 | 111.1 | P571 | P571-E657 WeakPolarHBondContact CA-O 3.44Å; P571-E657 HydrophobicContact CB-CB 3.92Å; P571-E657 HydrophobicContact CG-CB 4.24Å |
| 658 | P | 89.4 | Confident | 86.3 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 148 | 176.5 | 28.4 | -33.4 | 0 | 0 | 0 | 111.9 | R646 V648 | R646-P658 HydrophobicContact CG-CB 4.37Å; V648-P658 HydrophobicContact CG2-CB 3.94Å |
| 659 | S | 93.1 | Very high | 84.9 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 4% | 0.035 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 158.6 | 168 | 77 | 0 | 0 | 0 | 0 | 111 | P572 D573 R646 V647 | P572-S659 WeakPolarHBondContact O-CA 3.46Å; P572-S659 VanDerWaalsContact O-CB 3.26Å; P572-S659 WeakPolarHBondContact O-CB 3.46Å; D573-S659 WeakPolarHBondContact O-CB 3.28Å; R646-S659 WeakPolarHBondContact CA-OG 3.46Å; V647-S659 PolarHBondContact N-OG 3.1Å; V647-S659 PolarHBondContact O-N 3.2Å |
| 660 | P | 91.7 | Very high | 83.3 | Confident | 75 Ų | 75 | 66.3 Ų | 66.3 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 145.3 | 160.1 | -22.4 | 33.3 | 0 | 0 | 0 | 110.5 | K574 | K574-P660 HydrophobicContact CB-CB 4.07Å; K574-P660 HydrophobicContact CB-CG 4.29Å; K574-P660 HydrophobicContact CG-CB 4.14Å |
| 661 | A | 90.3 | Very high | 83.1 | Confident | 31 Ų | 31 | 65.7 Ų | 65.7 | 26% | 0.256 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 144 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K574 W614 F645 | K574-A661 WeakPolarHBondContact CE-O 3.4Å; W614-A661 HydrophobicContact CH2-CB 3.52Å; W614-A661 HydrophobicContact CZ2-CB 3.74Å; F645-A661 CarbonylContact O-C 3.56Å; F645-A661 WeakPolarHBondContact O-CA 3.46Å |
| 662 | S | 92.5 | Very high | 83 | Confident | 8 Ų | 8 | 69 Ų | 69 | 6% | 0.056 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 169.2 | 168.1 | 72.8 | 0 | 0 | 0 | 0 | 111.1 | V575 F645 | V575-S662 WeakPolarHBondContact O-CB 3.07Å; F645-S662 PolarHBondContact N-OG 3.05Å; F645-S662 PolarHBondContact O-N 3Å |
| 663 | A | 87.9 | Confident | 83.2 | Confident | 67 Ų | 67 | 66.6 Ų | 66.6 | 55% | 0.554 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -62 | 149.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | T665 | A663-T665 PolarHBondContact O-N 2.85Å; A663-T665 PolarHBondContact O-OG1 3.01Å |
| 664 | K | 89.1 | Confident | 83.4 | Confident | 125 Ų | 125 | 66.9 Ų | 66.9 | 54% | 0.543 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 127.3 | 171.1 | -71.1 | -179.1 | 177.3 | -173.3 | 0 | 109.5 | E642 Y643 E644 | E642-K664 HydrophobicContact CG-CB 3.85Å; E642-K664 HydrophobicContact CG-CD 4.41Å; E642-K664 HydrophobicContact CG-CG 4.41Å; E642-K664 WeakPolarHBondContact OE1-CB 3.22Å; E642-K664 WeakPolarHBondContact OE1-CD 3.27Å; Y643-K664 WeakPolarHBondContact O-CA 3.42Å; E644-K664 HydrophobicContact CG-CB 4.32Å; E644-K664 HydrophobicContact CG-CD 4.43Å; E644-K664 HydrophobicContact CG-CG 3.37Å; E644-K664 WeakPolarHBondContact OE1-CE 3.27Å; E644-K664 IonicContact OE1-NZ 2.75Å |
| 665 | T | 87.9 | Confident | 83.7 | Confident | 36 Ų | 36 | 69.7 Ų | 69.7 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 135.8 | -178.7 | -46.1 | 0 | 0 | 0 | 0 | 109.1 | V577 I580 E642 Y643 A663 | V577-T665 HydrophobicContact CG1-CG2 4.33Å; I580-T665 HydrophobicContact CB-CG2 4.46Å; I580-T665 HydrophobicContact CD1-CG2 3.81Å; I580-T665 HydrophobicContact CG2-CG2 3.91Å; E642-T665 WeakPolarHBondContact CA-O 3.32Å; Y643-T665 PolarHBondContact N-O 3.03Å; Y643-T665 PolarHBondContact O-N 2.91Å; A663-T665 PolarHBondContact O-N 2.85Å; A663-T665 PolarHBondContact O-OG1 3.01Å |
| 666 | R | 89.1 | Confident | 83.8 | Confident | 124 Ų | 124 | 68.2 Ų | 68.2 | 47% | 0.468 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 137.6 | -179.9 | -177.7 | 178.9 | -71.3 | -154.2 | -2.3 | 110.1 | V641 E668 | V641-R666 WeakPolarHBondContact O-CA 3.47Å; R666-E668 HydrophobicContact CG-CG 4.25Å; R666-E668 PolarHBondContact O-N 2.65Å |
| 667 | T | 85.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 42% | 0.416 | C | S | . | . | trans | -70.7 | 121.5 | 169.6 | 48.2 | 0 | 0 | 0 | 0 | 109.7 | I580 T581 L637 N638 A639 W640 V641 Y643 | I580-T667 HydrophobicContact CD1-CG2 3.88Å; I580-T667 HydrophobicContact CG1-CG2 4.07Å; T581-T667 VanDerWaalsContact O-CB 3.26Å; T581-T667 WeakPolarHBondContact O-CB 3.33Å; T581-T667 WeakPolarHBondContact O-CG2 3.33Å; L637-T667 HydrophobicContact CB-CG2 3.91Å; L637-T667 HydrophobicContact CD1-CG2 3.97Å; N638-T667 PolarHBondContact O-OG1 3.29Å; A639-T667 WeakPolarHBondContact CA-OG1 3.31Å; W640-T667 WeakPolarHBondContact CA-O 3.29Å; W640-T667 PolarHBondContact N-O 3.42Å; W640-T667 PolarHBondContact N-OG1 3.37Å; V641-T667 PolarHBondContact N-OG1 3.48Å; V641-T667 PolarHBondContact O-N 2.89Å; V641-T667 PolarHBondContact O-OG1 3Å; Y643-T667 HydrophobicContact CD2-CG2 3.96Å; Y643-T667 HydrophobicContact CE2-CG2 3.9Å | ||
| 668 | E | 77.1 | Confident | 83.7 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | trans | -129.2 | 150.1 | -177.7 | -64.6 | -177.8 | 179.8 | 0 | 0 | 109.1 | T581 D582 R666 A670 | T581-E668 CarbonylContact C-O 3.57Å; T581-E668 WeakPolarHBondContact CA-O 3.43Å; D582-E668 PolarHBondContact N-O 3.49Å; R666-E668 HydrophobicContact CG-CG 4.25Å; R666-E668 PolarHBondContact O-N 2.65Å; E668-A670 PolarHBondContact O-N 3.19Å | ||
| 669 | D | 61.2 | Low | 83.3 | Confident | 101 Ų | 101 | 68.9 Ų | 68.9 | 54% | 0.54 | 41% | 0.407 | S | S | . | . | trans | -62.1 | 131.2 | 178 | -66.9 | -21 | 0 | 0 | 0 | 109.6 | D582 | D582-D669 WeakPolarHBondContact CB-OD1 3.37Š| ||
| 670 | A | 54.3 | Low | 82.4 | Confident | 148 Ų | 148 | 74.7 Ų | 74.7 | 100% | 1.223 | 44% | 0.441 | S | S | * | . | trans | -65.7 | 0 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | T581 E668 | T581-A670 HydrophobicContact CG2-CB 4.15Å; E668-A670 PolarHBondContact O-N 3.19Å |
Retrieved 670 of 670 residues in 225.1 ms
(Link to these results)