| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 26.3 | Very low | 63.7 | Low | 243 Ų | 243 | 136.6 Ų | 136.6 | 100% | 1.197 | 63% | 0.633 | S | S | * | * | 0 | 105.9 | 0 | -85.5 | 171.5 | 148.8 | 0 | 0 | 108 | L3 | M1-L3 PolarHBondContact O-N 3.03Š| |||
| 2 | K | 34.7 | Very low | 66 | Low | 181 Ų | 181 | 126 Ų | 126 | 79% | 0.787 | 59% | 0.586 | S | S | * | * | trans | -64.3 | 119.2 | 164.1 | -86.1 | -176 | 174.2 | -177.2 | 0 | 106 | R4 | K2-R4 PolarHBondContact O-N 3.23Å; K2-R4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | L | 44.7 | Very low | 67.5 | Low | 149 Ų | 149 | 122.3 Ų | 122.3 | 78% | 0.78 | 57% | 0.573 | S | S | * | * | trans | -50 | 122.2 | 170.5 | -84.2 | 153.2 | 0 | 0 | 0 | 107.3 | M1 K5 | M1-L3 PolarHBondContact O-N 3.03Å; L3-K5 PolarHBondContact O-N 3.06Å | ||
| 4 | R | 46.5 | Very low | 68.4 | Low | 241 Ų | 241 | 116.6 Ų | 116.6 | 91% | 0.909 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 114.5 | -175.3 | -79.5 | 178.8 | 170.6 | -176.9 | -2.8 | 109.9 | K2 Q6 | K2-R4 PolarHBondContact O-N 3.23Å; K2-R4 VanDerWaalsContact O-N 3.13Å; R4-Q6 PolarHBondContact O-N 2.03Å; R4-Q6 VanDerWaalsContact O-N 3.14Å |
| 5 | K | 57 | Low | 69.1 | Low | 211 Ų | 211 | 110.8 Ų | 110.8 | 92% | 0.917 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.9 | 51.7 | 153.7 | -61.8 | -175.4 | 176 | -175.7 | 0 | 115.8 | L3 | L3-K5 PolarHBondContact O-N 3.06Š|
| 6 | Q | 65.8 | Low | 69.6 | Low | 149 Ų | 149 | 112.9 Ų | 112.9 | 70% | 0.696 | 53% | 0.534 | S | S | * | . | trans | -69.1 | 140.4 | 153.9 | -73.3 | 179.4 | 0.3 | 0 | 0 | 107.8 | R4 I8 | R4-Q6 PolarHBondContact O-N 2.03Å; R4-Q6 VanDerWaalsContact O-N 3.14Å; Q6-I8 PolarHBondContact O-N 3.36Å | ||
| 7 | D | 74.2 | Confident | 70.3 | Confident | 84 Ų | 84 | 111.2 Ų | 111.2 | 45% | 0.449 | 53% | 0.525 | S | S | . | . | trans | -67.2 | 118.2 | 173 | -165.7 | 26 | 0 | 0 | 0 | 108.4 | Q9 K19 | D7-Q9 VanDerWaalsContact C-N 3.3Å; D7-Q9 PolarHBondContact OD2-NE2 2.97Å; D7-K19 IonicContact OD1-NZ 2.77Å; D7-K19 PolarHBondContact OD1-NZ 2.76Å | ||
| 8 | I | 83.1 | Confident | 71.4 | Confident | 76 Ų | 76 | 107 Ų | 107 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | trans | -95.7 | 17.4 | -176.7 | 57.6 | 163.7 | 0 | 0 | 0 | 112 | Q6 F11 D13 | Q6-I8 PolarHBondContact O-N 3.36Å; I8-F11 HydrophobicContact CD1-CB 4.24Å; I8-F11 WeakPolarHBondContact O-CA 3.42Å; I8-F11 WeakPolarHBondContact O-CB 3.02Å; I8-F11 WeakPolarHBondContact O-CD2 3.49Å; I8-F11 PolarHBondContact O-N 3.16Å; I8-D13 HydrophobicContact CD1-CB 4.16Å | ||
| 9 | Q | 85.9 | Confident | 72.5 | Confident | 42 Ų | 42 | 104.1 Ų | 104.1 | 20% | 0.196 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 139.7 | 178.9 | -80.2 | -172.4 | 39.3 | 0 | 0 | 111.3 | D7 C20 Y72 | D7-Q9 VanDerWaalsContact C-N 3.3Å; D7-Q9 PolarHBondContact OD2-NE2 2.97Å; Q9-C20 PolarHBondContact NE2-O 2.01Å; Q9-Y72 HydrophobicContact CG-CD2 4.12Å |
| 10 | P | 89.9 | Confident | 73.6 | Confident | 41 Ų | 41 | 98.9 Ų | 98.9 | 27% | 0.266 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -81.7 | -5.9 | 10.5 | 34.2 | -36.8 | 0 | 0 | 0 | 114.5 | F66 T71 Y72 | P10-F66 HydrophobicContact CG-CE1 4.43Å; P10-T71 HydrophobicContact CB-CG2 4.24Å; P10-T71 HydrophobicContact CG-CG2 4.33Å; P10-T71 CarbonylContact O-C 3.55Å; P10-T71 WeakPolarHBondContact O-CA 3.41Å; P10-T71 WeakPolarHBondContact O-CB 3.46Å; P10-Y72 PolarHBondContact O-N 2.9Å |
| 11 | F | 92.2 | Very high | 74.5 | Confident | 86 Ų | 86 | 94.2 Ų | 94.2 | 38% | 0.377 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -69.3 | 153.7 | -177.5 | -52.6 | -71.5 | 0 | 0 | 0 | 112.7 | I8 F66 C69 P70 T71 | I8-F11 HydrophobicContact CD1-CB 4.24Å; I8-F11 WeakPolarHBondContact O-CA 3.42Å; I8-F11 WeakPolarHBondContact O-CB 3.02Å; I8-F11 WeakPolarHBondContact O-CD2 3.49Å; I8-F11 PolarHBondContact O-N 3.16Å; F11-F66 HydrophobicContact CE1-CB 4.49Å; F11-C69 HydrophobicContact CD1-CB 3.53Å; F11-C69 HydrophobicContact CE1-CB 3.49Å; F11-C69 VanDerWaalsContact CE1-CB 3.49Å; F11-P70 CarbonylContact C-O 3.59Å; F11-P70 VanDerWaalsContact CA-O 3.27Å; F11-P70 WeakPolarHBondContact CA-O 2.99Å; F11-T71 HydrophobicContact CD1-CG2 3.8Å; F11-T71 HydrophobicContact CE1-CG2 4.19Å |
| 12 | C | 91.5 | Very high | 76.9 | Confident | 9 Ų | 9 | 85.5 Ų | 85.5 | 6% | 0.061 | 40% | 0.402 | C | S | . | . | trans | -126.2 | 143.6 | 177.5 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | C30 P70 T71 Y72 | C12-C30 HydrophobicContact CB-CB 3.65Å; C12-C30 WeakPolarHBondContact CB-SG 3.06Å; C12-C30 VanDerWaalsContact SG-CA 3.52Å; C12-C30 WeakPolarHBondContact SG-CB 3.33Å; C12-C30 CovalentContact SG-SG 2.02Å; C12-C30 PolarHBondContact SG-SG 3.26Å; C12-P70 PolarHBondContact N-O 3.28Å; C12-P70 WeakPolarHBondContact SG-CB 3.35Å; C12-T71 VanDerWaalsContact SG-C 3.58Å; C12-T71 PolarHBondContact SG-N 3.11Å; C12-T71 VanDerWaalsContact SG-N 3.41Å; C12-Y72 HydrophobicContact CB-CD1 4.17Å; C12-Y72 HydrophobicContact CB-CD2 3.62Å; C12-Y72 HydrophobicContact CB-CE1 3.88Å; C12-Y72 HydrophobicContact CB-CE2 3.33Å; C12-Y72 HydrophobicContact CB-CG 4.03Å; C12-Y72 VanDerWaalsContact CB-CZ 3.47Å | ||
| 13 | D | 85.4 | Confident | 78.9 | Confident | 78 Ų | 78 | 83.3 Ų | 83.3 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -119.1 | 0.1 | 176.5 | 66.6 | -15.2 | 0 | 0 | 0 | 112.9 | I8 T49 | I8-D13 HydrophobicContact CD1-CB 4.16Å; D13-T49 VanDerWaalsContact O-CB 3.27Å; D13-T49 WeakPolarHBondContact O-CB 3.47Å; D13-T49 PolarHBondContact O-OG1 2.84Å |
| 14 | N | 81.1 | Confident | 80.7 | Confident | 42 Ų | 42 | 79.1 Ų | 79.1 | 23% | 0.225 | 37% | 0.368 | C | S | . | . | trans | -139.6 | 110 | 176.6 | -174.1 | -33.4 | 0 | 0 | 0 | 110.5 | E16 H17 Y72 | N14-E16 PolarHBondContact OD1-N 3.35Å; N14-H17 HydrophobicContact CB-CB 4.41Å; N14-H17 PolarHBondContact ND2-CE1 3.34Å; N14-H17 PolarHBondContact ND2-ND1 3.06Å; N14-H17 PolarHBondContact OD1-N 3.21Å; N14-Y72 PolarHBondContact O-OH 3.22Å | ||
| 15 | P | 78 | Confident | 82.8 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 20% | 0.195 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -19.1 | -176.2 | 31.7 | -36.7 | 0 | 0 | 0 | 115.1 | C30 T49 F50 | P15-C30 HydrophobicContact CB-CB 4.32Å; P15-T49 WeakPolarHBondContact CD-O 2.96Å; P15-F50 HydrophobicContact CB-CD1 3.87Å; P15-F50 HydrophobicContact CB-CE1 4.21Å; P15-F50 HydrophobicContact CG-CB 4.37Å; P15-F50 HydrophobicContact CG-CD1 3.76Å; P15-F50 HydrophobicContact CG-CE1 4.38Å; P15-F50 HydrophobicContact CG-CG 4.25Å |
| 16 | E | 77.3 | Confident | 84.6 | Confident | 144 Ų | 144 | 60.6 Ų | 60.6 | 67% | 0.673 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -19.1 | -178.8 | -61.4 | -167.3 | 163.6 | 0 | 0 | 112.5 | N14 | N14-E16 PolarHBondContact OD1-N 3.35Š|
| 17 | H | 82.4 | Confident | 86 | Confident | 84 Ų | 84 | 53.7 Ų | 53.7 | 39% | 0.389 | 26% | 0.262 | S | S | . | . | trans | -90.1 | 117.2 | -176.6 | -70.5 | 174.5 | 0 | 0 | 0 | 111.3 | N14 Y72 | N14-H17 HydrophobicContact CB-CB 4.41Å; N14-H17 PolarHBondContact ND2-CE1 3.34Å; N14-H17 PolarHBondContact ND2-ND1 3.06Å; N14-H17 PolarHBondContact OD1-N 3.21Å; H17-Y72 VanDerWaalsContact O-CE1 3.24Å; H17-Y72 WeakPolarHBondContact O-CE1 3.47Å | ||
| 18 | Q | 90.1 | Very high | 87 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 17% | 0.168 | 24% | 0.241 | C | C | . | . | trans | -72.5 | 138.1 | 161.5 | -67.6 | -173.8 | -37.9 | 0 | 0 | 109.4 | I27 G28 R129 T130 S131 | Q18-I27 HydrophobicContact CB-CG2 4.08Å; Q18-G28 CarbonylContact C-O 3.31Å; Q18-G28 VanDerWaalsContact CA-O 3.24Å; Q18-G28 WeakPolarHBondContact CA-O 3.46Å; Q18-R129 VanDerWaalsContact OE1-CB 3.3Å; Q18-R129 VanDerWaalsContact OE1-CD 3.26Å; Q18-T130 PolarHBondContact N-OG1 2.95Å; Q18-T130 PolarHBondContact O-OG1 3.11Å; Q18-S131 VanDerWaalsContact CB-OG 3.24Å; Q18-S131 WeakPolarHBondContact CB-OG 3.05Å; Q18-S131 PolarHBondContact O-OG 3.48Å | ||
| 19 | K | 92.1 | Very high | 87.4 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 22% | 0.222 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 157.7 | 179.1 | -88.4 | -156.3 | 179 | 177.3 | 0 | 112 | D7 L21 G28 Y72 D112 S131 | D7-K19 IonicContact OD1-NZ 2.77Å; D7-K19 PolarHBondContact OD1-NZ 2.76Å; K19-L21 PolarHBondContact O-N 3.17Å; K19-G28 PolarHBondContact N-O 3.17Å; K19-G28 WeakPolarHBondContact O-CA 2.95Å; K19-G28 PolarHBondContact O-N 3.01Å; K19-Y72 HydrophobicContact CB-CD1 4.25Å; K19-Y72 HydrophobicContact CB-CE1 4.11Å; K19-Y72 HydrophobicContact CB-CE2 4.37Å; K19-Y72 HydrophobicContact CB-CG 4.49Å; K19-Y72 HydrophobicContact CD-CD2 4.33Å; K19-Y72 HydrophobicContact CD-CE2 3.68Å; K19-Y72 HydrophobicContact CG-CE1 4.23Å; K19-Y72 HydrophobicContact CG-CE2 4.18Å; K19-D112 VanDerWaalsContact CA-OD1 3.31Å; K19-D112 WeakPolarHBondContact CA-OD1 3.22Å; K19-S131 PolarHBondContact N-OG 3.18Å |
| 20 | C | 94.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 124.4 | 166.2 | -65.3 | 0 | 0 | 0 | 0 | 112.4 | Q9 N22 C110 F111 D112 | Q9-C20 PolarHBondContact NE2-O 2.01Å; C20-N22 PolarHBondContact O-N 3.06Å; C20-C110 WeakPolarHBondContact CA-SG 3.32Å; C20-C110 HydrophobicContact CB-CB 3.61Å; C20-C110 WeakPolarHBondContact CB-SG 3.25Å; C20-C110 WeakPolarHBondContact SG-CB 3.35Å; C20-C110 CovalentContact SG-SG 2.03Å; C20-C110 PolarHBondContact SG-SG 2.83Å; C20-F111 WeakPolarHBondContact SG-CA 3.46Å; C20-F111 PolarHBondContact SG-N 3.18Å; C20-D112 PolarHBondContact N-OD1 3.47Å; C20-D112 PolarHBondContact SG-N 3.02Å |
| 21 | L | 92.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 87.9 | 166.2 | -59.5 | -179.4 | 0 | 0 | 0 | 107.7 | K19 Y23 D24 K25 A26 M74 | K19-L21 PolarHBondContact O-N 3.17Å; L21-Y23 HydrophobicContact CB-CE1 3.98Å; L21-Y23 HydrophobicContact CB-CE2 4.34Å; L21-Y23 HydrophobicContact CD2-CE1 3.98Å; L21-Y23 WeakPolarHBondContact CD2-OH 3.42Å; L21-Y23 HydrophobicContact CG-CE1 4.49Å; L21-Y23 PolarHBondContact O-N 2.86Å; L21-D24 PolarHBondContact O-N 2.82Å; L21-K25 PolarHBondContact O-N 2.86Å; L21-A26 HydrophobicContact CB-CB 4.35Å; L21-A26 PolarHBondContact N-O 2.81Å; L21-A26 PolarHBondContact O-N 2.04Å; L21-M74 HydrophobicContact CD1-CB 3.99Å |
| 22 | N | 75.7 | Confident | 87.9 | Confident | 61 Ų | 61 | 46 Ų | 46 | 33% | 0.326 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31.2 | -170.5 | -71.7 | -39.8 | 0 | 0 | 0 | 113 | C20 D24 | C20-N22 PolarHBondContact O-N 3.06Å; N22-D24 VanDerWaalsContact C-N 3.3Å; N22-D24 PolarHBondContact O-N 3.43Å |
| 23 | Y | 78.2 | Confident | 88 | Confident | 134 Ų | 134 | 50.2 Ų | 50.2 | 53% | 0.525 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -32.5 | 176.7 | 54.3 | -92.2 | 0 | 0 | 0 | 113.1 | L21 | L21-Y23 HydrophobicContact CB-CE1 3.98Å; L21-Y23 HydrophobicContact CB-CE2 4.34Å; L21-Y23 HydrophobicContact CD2-CE1 3.98Å; L21-Y23 WeakPolarHBondContact CD2-OH 3.42Å; L21-Y23 HydrophobicContact CG-CE1 4.49Å; L21-Y23 PolarHBondContact O-N 2.86Å |
| 24 | D | 82.4 | Confident | 88.5 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 33% | 0.326 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -3.6 | -178 | -86.9 | -31.9 | 0 | 0 | 0 | 114.1 | L21 N22 A26 | L21-D24 PolarHBondContact O-N 2.82Å; N22-D24 VanDerWaalsContact C-N 3.3Å; N22-D24 PolarHBondContact O-N 3.43Å; D24-A26 HydrophobicContact CB-CB 3.97Å; D24-A26 PolarHBondContact O-N 2.98Å |
| 25 | K | 90.8 | Very high | 89.1 | Confident | 63 Ų | 63 | 51.6 Ų | 51.6 | 27% | 0.274 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 48.3 | -169.7 | -55.4 | -175.7 | 178.8 | -171.6 | 0 | 110.5 | L21 C85 | L21-K25 PolarHBondContact O-N 2.86Å; K25-C85 VanDerWaalsContact O-CB 3.23Å; K25-C85 WeakPolarHBondContact O-CB 3.18Å; K25-C85 PolarHBondContact O-N 3.02Å; K25-C85 PolarHBondContact O-SG 3.16Å; K25-C85 VanDerWaalsContact O-SG 3.35Å |
| 26 | A | 95 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 164.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L21 D24 M74 S83 V84 | L21-A26 HydrophobicContact CB-CB 4.35Å; L21-A26 PolarHBondContact N-O 2.81Å; L21-A26 PolarHBondContact O-N 2.04Å; D24-A26 HydrophobicContact CB-CB 3.97Å; D24-A26 PolarHBondContact O-N 2.98Å; A26-M74 HydrophobicContact CB-CB 4.28Å; A26-S83 VanDerWaalsContact CA-O 3.31Å; A26-S83 WeakPolarHBondContact CA-O 3.5Å; A26-V84 HydrophobicContact CB-CB 4.4Å; A26-V84 HydrophobicContact CB-CG2 3.93Å |
| 27 | I | 94.6 | Very high | 90.7 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 122 | 172.3 | -49.8 | 178.5 | 0 | 0 | 0 | 108.4 | Q18 F75 S83 S131 | Q18-I27 HydrophobicContact CB-CG2 4.08Å; I27-F75 HydrophobicContact CB-CE1 4.07Å; I27-F75 HydrophobicContact CG2-CE1 3.98Å; I27-F75 HydrophobicContact CG2-CZ 4.44Å; I27-F75 WeakPolarHBondContact O-CD1 3.39Å; I27-F75 WeakPolarHBondContact O-CE1 3.47Å; I27-S83 PolarHBondContact N-O 2.91Å; I27-S83 WeakPolarHBondContact O-CB 3.21Å; I27-S83 PolarHBondContact O-OG 3.32Å; I27-S131 WeakPolarHBondContact CG2-OG 3.42Å |
| 28 | G | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 152.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q18 K19 E73 | Q18-G28 CarbonylContact C-O 3.31Å; Q18-G28 VanDerWaalsContact CA-O 3.24Å; Q18-G28 WeakPolarHBondContact CA-O 3.46Å; K19-G28 PolarHBondContact N-O 3.17Å; K19-G28 WeakPolarHBondContact O-CA 2.95Å; K19-G28 PolarHBondContact O-N 3.01Å; G28-E73 CarbonylContact C-O 3.59Å; G28-E73 WeakPolarHBondContact CA-O 3.27Å |
| 29 | Y | 92.4 | Very high | 91.7 | Very high | 96 Ų | 96 | 59 Ų | 59 | 38% | 0.376 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.9 | 166.1 | 75.3 | -72.6 | 0 | 0 | 0 | 109.2 | V31 Y72 E73 F75 | Y29-V31 HydrophobicContact CD2-CG2 4.27Å; Y29-V31 HydrophobicContact CE1-CG2 4.04Å; Y29-V31 HydrophobicContact CE2-CB 4.49Å; Y29-V31 HydrophobicContact CE2-CG2 3.71Å; Y29-V31 PolarHBondContact O-N 3.42Å; Y29-Y72 CarbonylContact O-C 3.5Å; Y29-Y72 VanDerWaalsContact O-CA 3.31Å; Y29-Y72 WeakPolarHBondContact O-CA 3.32Å; Y29-E73 VanDerWaalsContact CD1-O 3.24Å; Y29-E73 WeakPolarHBondContact CD1-O 3.22Å; Y29-E73 PolarHBondContact N-O 2.82Å; Y29-E73 PolarHBondContact O-N 2.89Å; Y29-F75 HydrophobicContact CD1-CB 3.73Å; Y29-F75 AromaticContact CD1-CD1 3.77Å; Y29-F75 HydrophobicContact CD1-CD1 3.77Å; Y29-F75 HydrophobicContact CD1-CG 4.12Å; Y29-F75 HydrophobicContact CE1-CB 3.51Å; Y29-F75 HydrophobicContact CE1-CD1 4.43Å; Y29-F75 HydrophobicContact CE1-CG 4.39Å |
| 30 | C | 93.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 116.8 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | C12 P15 T71 Y72 | C12-C30 HydrophobicContact CB-CB 3.65Å; C12-C30 WeakPolarHBondContact CB-SG 3.06Å; C12-C30 VanDerWaalsContact SG-CA 3.52Å; C12-C30 WeakPolarHBondContact SG-CB 3.33Å; C12-C30 CovalentContact SG-SG 2.02Å; C12-C30 PolarHBondContact SG-SG 3.26Å; P15-C30 HydrophobicContact CB-CB 4.32Å; C30-T71 CarbonylContact C-O 3.55Å; C30-T71 WeakPolarHBondContact CA-O 3.33Å; C30-Y72 HydrophobicContact CB-CD1 4.14Å; C30-Y72 HydrophobicContact CB-CE1 3.87Å |
| 31 | V | 92 | Very high | 91.9 | Very high | 17 Ų | 17 | 67 Ų | 67 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 117.1 | -178.1 | -178 | 0 | 0 | 0 | 0 | 109.6 | Y29 T71 E73 | Y29-V31 HydrophobicContact CD2-CG2 4.27Å; Y29-V31 HydrophobicContact CE1-CG2 4.04Å; Y29-V31 HydrophobicContact CE2-CB 4.49Å; Y29-V31 HydrophobicContact CE2-CG2 3.71Å; Y29-V31 PolarHBondContact O-N 3.42Å; V31-T71 PolarHBondContact N-O 2.91Å; V31-E73 HydrophobicContact CB-CG 4.37Å; V31-E73 HydrophobicContact CG2-CB 3.57Å; V31-E73 HydrophobicContact CG2-CG 3.61Å |
| 32 | I | 93.1 | Very high | 92.1 | Very high | 48 Ų | 48 | 71.5 Ų | 71.5 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | trans | -129.4 | 143 | 161.6 | 58.9 | 163.8 | 0 | 0 | 0 | 108.1 | I46 F50 V52 Y60 A61 P70 | I32-I46 HydrophobicContact CB-CD1 4.46Å; I32-I46 HydrophobicContact CG2-CD1 3.66Å; I32-F50 HydrophobicContact CD1-CD1 4.07Å; I32-F50 HydrophobicContact CG2-CD1 3.87Å; I32-F50 HydrophobicContact CG2-CE1 3.68Å; I32-V52 HydrophobicContact CD1-CG2 3.88Å; I32-Y60 HydrophobicContact CD1-CD1 4.15Å; I32-A61 CarbonylContact C-O 3.5Å; I32-A61 WeakPolarHBondContact CA-O 3.38Å; I32-P70 HydrophobicContact CG2-CB 3.95Å; I32-P70 HydrophobicContact CG2-CG 4.06Å | ||
| 33 | K | 93 | Very high | 93 | Very high | 97 Ų | 97 | 72.7 Ų | 72.7 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 152.7 | 177.3 | 72.3 | -163.6 | 177.5 | 178.5 | 0 | 109.3 | M35 Y60 A61 G62 | K33-M35 HydrophobicContact CB-CE 4.37Å; K33-M35 HydrophobicContact CD-CE 3.97Å; K33-M35 VanDerWaalsContact CE-CE 3.46Å; K33-M35 HydrophobicContact CG-CE 3.17Å; K33-M35 WeakPolarHBondContact O-CE 2.99Å; K33-Y60 WeakPolarHBondContact O-CA 3.37Å; K33-A61 PolarHBondContact N-O 3.42Å; K33-A61 PolarHBondContact O-N 3.19Å; K33-A61 VanDerWaalsContact O-N 3.12Å; K33-G62 WeakPolarHBondContact CE-O 3.22Å |
| 34 | Q | 95.1 | Very high | 93.9 | Very high | 121 Ų | 121 | 69 Ų | 69 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 128.3 | 173.4 | -170 | 173.7 | -0 | 0 | 0 | 109.5 | Y59 Y60 | Q34-Y59 CarbonylContact C-O 3.43Å; Q34-Y59 WeakPolarHBondContact CA-O 3.47Å; Q34-Y60 HydrophobicContact CB-CD1 4.47Å; Q34-Y60 HydrophobicContact CB-CE1 4.01Å; Q34-Y60 HydrophobicContact CB-CE2 4.08Å; Q34-Y60 HydrophobicContact CG-CD2 4.35Å; Q34-Y60 HydrophobicContact CG-CE2 3.82Å; Q34-Y60 PolarHBondContact OE1-OH 2.87Å |
| 35 | M | 94.4 | Very high | 94.4 | Very high | 28 Ų | 28 | 70.6 Ų | 70.6 | 14% | 0.138 | 34% | 0.341 | C | S | . | . | trans | -82 | 153.7 | 173.4 | -56.5 | -57.6 | 125.7 | 0 | 0 | 110.3 | K33 N37 L39 Y59 A61 Y68 | K33-M35 HydrophobicContact CB-CE 4.37Å; K33-M35 HydrophobicContact CD-CE 3.97Å; K33-M35 VanDerWaalsContact CE-CE 3.46Å; K33-M35 HydrophobicContact CG-CE 3.17Å; K33-M35 WeakPolarHBondContact O-CE 2.99Å; M35-N37 VanDerWaalsContact C-N 3.35Å; M35-N37 VanDerWaalsContact CB-O 3.29Å; M35-N37 WeakPolarHBondContact CB-O 3.47Å; M35-L39 HydrophobicContact CG-CD1 3.88Å; M35-L39 HydrophobicContact CG-CD2 3.91Å; M35-L39 HydrophobicContact CG-CG 3.88Å; M35-L39 HydrophobicContact SD-CD2 4.45Å; M35-Y59 PolarHBondContact N-O 2.94Å; M35-A61 HydrophobicContact CE-CB 3.75Å; M35-Y68 HydrophobicContact SD-CE1 4.45Å | ||
| 36 | K | 94.7 | Very high | 94.5 | Very high | 202 Ų | 202 | 68.2 Ų | 68.2 | 88% | 0.878 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -70.1 | -34.3 | 174.4 | -66 | -177.4 | 179.4 | 179.5 | 0 | 112.5 | ||
| 37 | N | 95.3 | Very high | 94.4 | Very high | 126 Ų | 126 | 71.4 Ų | 71.4 | 67% | 0.674 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -124.2 | 159 | -176.4 | -58.6 | -37.4 | 0 | 0 | 0 | 109.5 | M35 L39 | M35-N37 VanDerWaalsContact C-N 3.35Å; M35-N37 VanDerWaalsContact CB-O 3.29Å; M35-N37 WeakPolarHBondContact CB-O 3.47Å; N37-L39 PolarHBondContact O-N 2.89Å |
| 38 | E | 96.4 | Very high | 94.2 | Very high | 108 Ų | 108 | 77.5 Ų | 77.5 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 134.4 | 169.8 | -179.8 | 161.9 | -150.8 | 0 | 0 | 110.4 | T58 Y59 | E38-T58 VanDerWaalsContact OE1-CB 3.29Å; E38-T58 WeakPolarHBondContact OE1-CB 3.4Å; E38-T58 PolarHBondContact OE1-OG1 2.82Å; E38-T58 VanDerWaalsContact OE1-OG1 3.04Å; E38-Y59 HydrophobicContact CB-CE1 3.93Å; E38-Y59 HydrophobicContact CB-CE2 4.23Å |
| 39 | L | 96 | Very high | 93.9 | Very high | 13 Ų | 13 | 80.7 Ų | 80.7 | 7% | 0.068 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 142.7 | 177.3 | -69.7 | 165.4 | 0 | 0 | 0 | 110.5 | M35 N37 Q44 T58 A61 Y68 | M35-L39 HydrophobicContact CG-CD1 3.88Å; M35-L39 HydrophobicContact CG-CD2 3.91Å; M35-L39 HydrophobicContact CG-CG 3.88Å; M35-L39 HydrophobicContact SD-CD2 4.45Å; N37-L39 PolarHBondContact O-N 2.89Å; L39-Q44 HydrophobicContact CB-CG 4.06Å; L39-Q44 PolarHBondContact O-NE2 3.26Å; L39-T58 WeakPolarHBondContact CB-O 3.28Å; L39-T58 PolarHBondContact N-O 2.89Å; L39-A61 HydrophobicContact CD1-CB 3.39Å; L39-Y68 HydrophobicContact CD2-CD1 3.88Å; L39-Y68 HydrophobicContact CD2-CE1 3.95Å; L39-Y68 HydrophobicContact CD2-CG 4.27Å |
| 40 | P | 96.3 | Very high | 93.7 | Very high | 77 Ų | 77 | 76.6 Ų | 76.6 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 146 | 166.3 | -25.1 | 33.5 | 0 | 0 | 0 | 111.9 | P42 Y43 | P40-P42 VanDerWaalsContact C-N 3.29Å; P40-P42 VanDerWaalsContact O-N 3.1Å; P40-Y43 HydrophobicContact CB-CD2 4.01Å; P40-Y43 HydrophobicContact CB-CE2 4.49Å; P40-Y43 HydrophobicContact CG-CD2 4.04Å; P40-Y43 HydrophobicContact CG-CE2 4.43Å; P40-Y43 PolarHBondContact O-N 3.05Å |
| 41 | L | 95.5 | Very high | 93.5 | Very high | 144 Ų | 144 | 83.2 Ų | 83.2 | 75% | 0.754 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -46.7 | -40.9 | -178.4 | -72.8 | 172.7 | 0 | 0 | 0 | 115 | Y43 Q44 | L41-Y43 PolarHBondContact O-N 2.89Å; L41-Y43 VanDerWaalsContact O-N 3.1Å; L41-Q44 PolarHBondContact O-N 2.8Å |
| 42 | P | 95.2 | Very high | 93.5 | Very high | 93 Ų | 93 | 83 Ų | 83 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -62.5 | -16.2 | 178.3 | -24.3 | 35.9 | 0 | 0 | 0 | 115.1 | P40 Y45 | P40-P42 VanDerWaalsContact C-N 3.29Å; P40-P42 VanDerWaalsContact O-N 3.1Å; P42-Y45 PolarHBondContact O-OH 3.38Å; P42-Y45 VanDerWaalsContact O-OH 3.12Å |
| 43 | Y | 95.9 | Very high | 93.6 | Very high | 87 Ų | 87 | 84 Ų | 84 | 34% | 0.341 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -109.9 | 6.8 | -175.6 | -57.2 | -50 | 0 | 0 | 0 | 113.8 | P40 L41 Y45 Y68 | P40-Y43 HydrophobicContact CB-CD2 4.01Å; P40-Y43 HydrophobicContact CB-CE2 4.49Å; P40-Y43 HydrophobicContact CG-CD2 4.04Å; P40-Y43 HydrophobicContact CG-CE2 4.43Å; P40-Y43 PolarHBondContact O-N 3.05Å; L41-Y43 PolarHBondContact O-N 2.89Å; L41-Y43 VanDerWaalsContact O-N 3.1Å; Y43-Y45 HydrophobicContact CD1-CE2 4.49Å; Y43-Y45 VanDerWaalsContact O-CD2 3.26Å; Y43-Y45 WeakPolarHBondContact O-CD2 3.17Å; Y43-Y45 PolarHBondContact O-N 2.93Å; Y43-Y68 AromaticContact CD1-CD2 3.67Å; Y43-Y68 HydrophobicContact CD1-CD2 3.67Å; Y43-Y68 HydrophobicContact CD1-CE2 4.35Å; Y43-Y68 HydrophobicContact CD2-CD2 4Å; Y43-Y68 HydrophobicContact CD2-CE2 4.05Å; Y43-Y68 HydrophobicContact CE1-CD2 4.26Å; Y43-Y68 HydrophobicContact CE2-CE2 4.33Å; Y43-Y68 AromaticContact CG-CD2 3.53Å; Y43-Y68 HydrophobicContact CG-CD2 3.53Å; Y43-Y68 HydrophobicContact CG-CE2 4.07Å; Y43-Y68 HydrophobicContact CG-CG 4.37Å |
| 44 | Q | 95.3 | Very high | 93.6 | Very high | 56 Ų | 56 | 88 Ų | 88 | 26% | 0.262 | 44% | 0.443 | S | S | . | . | trans | -91.4 | 80 | -179.3 | -63.5 | -177 | 7.5 | 0 | 0 | 111.3 | L39 L41 | L39-Q44 HydrophobicContact CB-CG 4.06Å; L39-Q44 PolarHBondContact O-NE2 3.26Å; L41-Q44 PolarHBondContact O-N 2.8Å | ||
| 45 | Y | 94 | Very high | 93.6 | Very high | 94 Ų | 94 | 90.1 Ų | 90.1 | 37% | 0.369 | 45% | 0.452 | S | S | . | . | trans | -91.1 | -9.2 | -177.1 | -54.4 | -77.5 | 0 | 0 | 0 | 114.8 | P42 Y43 D47 D67 C69 | P42-Y45 PolarHBondContact O-OH 3.38Å; P42-Y45 VanDerWaalsContact O-OH 3.12Å; Y43-Y45 HydrophobicContact CD1-CE2 4.49Å; Y43-Y45 VanDerWaalsContact O-CD2 3.26Å; Y43-Y45 WeakPolarHBondContact O-CD2 3.17Å; Y43-Y45 PolarHBondContact O-N 2.93Å; Y45-D47 PolarHBondContact O-N 2.77Å; Y45-D67 WeakPolarHBondContact CE2-O 3.48Å; Y45-D67 PolarHBondContact OH-O 2.92Å; Y45-C69 VanDerWaalsContact CZ-SG 3.53Å | ||
| 46 | I | 93.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 92.1 Ų | 92.1 | 7% | 0.067 | 46% | 0.464 | C | S | . | . | trans | -74.6 | 120.2 | -177 | -57.8 | -57.8 | 0 | 0 | 0 | 109.8 | I32 F50 V52 R57 Y60 P70 | I32-I46 HydrophobicContact CB-CD1 4.46Å; I32-I46 HydrophobicContact CG2-CD1 3.66Å; I46-F50 HydrophobicContact CD1-CD1 3.97Å; I46-F50 HydrophobicContact CD1-CD2 4.25Å; I46-F50 HydrophobicContact CD1-CE1 4.07Å; I46-F50 HydrophobicContact CD1-CE2 4.35Å; I46-F50 HydrophobicContact CD1-CG 4.07Å; I46-F50 HydrophobicContact CD1-CZ 4.27Å; I46-F50 HydrophobicContact CG2-CB 3.66Å; I46-F50 HydrophobicContact CG2-CD2 4.19Å; I46-F50 HydrophobicContact CG2-CG 3.98Å; I46-V52 HydrophobicContact CG2-CB 4.14Å; I46-V52 HydrophobicContact CG2-CG2 4.27Å; I46-R57 HydrophobicContact CB-CB 4.21Å; I46-R57 HydrophobicContact CG2-CB 4.05Å; I46-R57 HydrophobicContact CG2-CG 3.84Å; I46-R57 WeakPolarHBondContact O-CD 3.42Å; I46-Y60 WeakPolarHBondContact CG1-O 3.5Å; I46-P70 HydrophobicContact CD1-CG 3.64Å | ||
| 47 | D | 91.5 | Very high | 93.7 | Very high | 68 Ų | 68 | 84.4 Ų | 84.4 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | trans | -118.4 | -160.4 | -179 | 73.4 | 12 | 0 | 0 | 0 | 112.4 | Y45 T49 F50 R57 | Y45-D47 PolarHBondContact O-N 2.77Å; D47-T49 PolarHBondContact O-N 3.04Å; D47-T49 WeakPolarHBondContact OD1-CB 3.35Å; D47-T49 WeakPolarHBondContact OD1-CG2 3.47Å; D47-T49 PolarHBondContact OD1-N 3.14Å; D47-T49 PolarHBondContact OD1-OG1 2.83Å; D47-F50 PolarHBondContact O-N 2.79Å; D47-R57 PolarHBondContact O-NE 3.25Å | ||
| 48 | N | 90.3 | Very high | 93.8 | Very high | 132 Ų | 132 | 79.6 Ų | 79.6 | 71% | 0.706 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -14.6 | 180 | -68.3 | -29 | 0 | 0 | 0 | 114.6 | R57 | N48-R57 PolarHBondContact OD1-NH1 3.25Å; N48-R57 PolarHBondContact OD1-NH2 3.03Å |
| 49 | T | 89 | Confident | 93.8 | Very high | 67 Ų | 67 | 78.1 Ų | 78.1 | 41% | 0.411 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -16.7 | 176.9 | 75.1 | 0 | 0 | 0 | 0 | 111.6 | D13 P15 D47 | D13-T49 VanDerWaalsContact O-CB 3.27Å; D13-T49 WeakPolarHBondContact O-CB 3.47Å; D13-T49 PolarHBondContact O-OG1 2.84Å; P15-T49 WeakPolarHBondContact CD-O 2.96Å; D47-T49 PolarHBondContact O-N 3.04Å; D47-T49 WeakPolarHBondContact OD1-CB 3.35Å; D47-T49 WeakPolarHBondContact OD1-CG2 3.47Å; D47-T49 PolarHBondContact OD1-N 3.14Å; D47-T49 PolarHBondContact OD1-OG1 2.83Å |
| 50 | F | 89.1 | Confident | 93.8 | Very high | 10 Ų | 10 | 80.1 Ų | 80.1 | 4% | 0.044 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -90.6 | 133.7 | 175.5 | -61.9 | -96.2 | 0 | 0 | 0 | 111 | P15 I32 I46 D47 V52 P70 | P15-F50 HydrophobicContact CB-CD1 3.87Å; P15-F50 HydrophobicContact CB-CE1 4.21Å; P15-F50 HydrophobicContact CG-CB 4.37Å; P15-F50 HydrophobicContact CG-CD1 3.76Å; P15-F50 HydrophobicContact CG-CE1 4.38Å; P15-F50 HydrophobicContact CG-CG 4.25Å; I32-F50 HydrophobicContact CD1-CD1 4.07Å; I32-F50 HydrophobicContact CG2-CD1 3.87Å; I32-F50 HydrophobicContact CG2-CE1 3.68Å; I46-F50 HydrophobicContact CD1-CD1 3.97Å; I46-F50 HydrophobicContact CD1-CD2 4.25Å; I46-F50 HydrophobicContact CD1-CE1 4.07Å; I46-F50 HydrophobicContact CD1-CE2 4.35Å; I46-F50 HydrophobicContact CD1-CG 4.07Å; I46-F50 HydrophobicContact CD1-CZ 4.27Å; I46-F50 HydrophobicContact CG2-CB 3.66Å; I46-F50 HydrophobicContact CG2-CD2 4.19Å; I46-F50 HydrophobicContact CG2-CG 3.98Å; D47-F50 PolarHBondContact O-N 2.79Å; F50-V52 HydrophobicContact CB-CG2 4.29Å; F50-V52 PolarHBondContact O-N 3.13Å; F50-P70 HydrophobicContact CE1-CB 3.84Å; F50-P70 HydrophobicContact CE1-CG 3.9Å; F50-P70 HydrophobicContact CE2-CG 4.39Å; F50-P70 HydrophobicContact CZ-CB 3.72Å; F50-P70 HydrophobicContact CZ-CG 3.57Å |
| 51 | N | 89.1 | Confident | 93.8 | Very high | 146 Ų | 146 | 76.5 Ų | 76.5 | 78% | 0.781 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -73.9 | 54.7 | 177.1 | -168.2 | 28.3 | 0 | 0 | 0 | 111.5 | ||
| 52 | V | 91.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 69.6 Ų | 69.6 | 9% | 0.085 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -124.9 | 127.1 | 179.6 | -179.3 | 0 | 0 | 0 | 0 | 107.1 | I32 I46 F50 N56 R57 Y60 | I32-V52 HydrophobicContact CD1-CG2 3.88Å; I46-V52 HydrophobicContact CG2-CB 4.14Å; I46-V52 HydrophobicContact CG2-CG2 4.27Å; F50-V52 HydrophobicContact CB-CG2 4.29Å; F50-V52 PolarHBondContact O-N 3.13Å; V52-N56 HydrophobicContact CG1-CB 3.93Å; V52-R57 HydrophobicContact CB-CG 4.3Å; V52-R57 HydrophobicContact CG1-CG 3.99Å; V52-R57 PolarHBondContact O-NE 3.29Å; V52-Y60 HydrophobicContact CG1-CD2 3.66Å; V52-Y60 HydrophobicContact CG1-CE2 3.99Å; V52-Y60 HydrophobicContact CG1-CG 3.98Å; V52-Y60 HydrophobicContact CG2-CD1 3.99Å; V52-Y60 HydrophobicContact CG2-CE1 4.31Å; V52-Y60 HydrophobicContact CG2-CG 4.1Å |
| 53 | S | 94 | Very high | 93.6 | Very high | 67 Ų | 67 | 66.7 Ų | 66.7 | 47% | 0.469 | 32% | 0.324 | S | S | . | . | trans | -58 | 144.2 | 177.9 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | E55 N56 R57 | S53-E55 PolarHBondContact O-N 2.76Å; S53-E55 VanDerWaalsContact O-N 3.14Å; S53-N56 PolarHBondContact O-N 2.95Å; S53-N56 WeakPolarHBondContact OG-CB 3.06Å; S53-N56 PolarHBondContact OG-ND2 2.9Å; S53-R57 WeakPolarHBondContact O-CG 3.46Å; S53-R57 PolarHBondContact O-N 2.94Å | ||
| 54 | Y | 94.4 | Very high | 93.4 | Very high | 183 Ų | 183 | 68.7 Ų | 68.7 | 72% | 0.718 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -47.5 | -46.4 | -176.4 | 176 | -99.4 | 0 | 0 | 0 | 113 | N56 R57 | Y54-N56 PolarHBondContact O-N 2.78Å; Y54-R57 PolarHBondContact O-N 3.3Å |
| 55 | E | 94.3 | Very high | 93.2 | Very high | 164 Ų | 164 | 73.4 Ų | 73.4 | 77% | 0.766 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -67.3 | -22.4 | -177.7 | -55.5 | -165.4 | -145.4 | 0 | 0 | 114 | S53 | S53-E55 PolarHBondContact O-N 2.76Å; S53-E55 VanDerWaalsContact O-N 3.14Å |
| 56 | N | 96.1 | Very high | 93.2 | Very high | 70 Ų | 70 | 71.9 Ų | 71.9 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -95.6 | -11.4 | -179.8 | -74.4 | -32.7 | 0 | 0 | 0 | 113.1 | V52 S53 Y54 T58 Y59 Y60 | V52-N56 HydrophobicContact CG1-CB 3.93Å; S53-N56 PolarHBondContact O-N 2.95Å; S53-N56 WeakPolarHBondContact OG-CB 3.06Å; S53-N56 PolarHBondContact OG-ND2 2.9Å; Y54-N56 PolarHBondContact O-N 2.78Å; N56-T58 PolarHBondContact O-N 2.81Å; N56-T58 VanDerWaalsContact O-N 3.15Å; N56-Y59 WeakPolarHBondContact O-CA 3.4Å; N56-Y59 WeakPolarHBondContact O-CB 3.12Å; N56-Y59 PolarHBondContact O-N 2.81Å; N56-Y60 HydrophobicContact CB-CD2 4.41Å; N56-Y60 HydrophobicContact CB-CE2 4.16Å; N56-Y60 WeakPolarHBondContact O-CD2 3.25Å |
| 57 | R | 95.5 | Very high | 93.3 | Very high | 41 Ų | 41 | 76.2 Ų | 76.2 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -60 | -32.1 | -171.8 | -66.7 | -175.8 | -173.4 | 159.6 | -1 | 113.6 | I46 D47 N48 V52 S53 Y54 Y59 Y60 | I46-R57 HydrophobicContact CB-CB 4.21Å; I46-R57 HydrophobicContact CG2-CB 4.05Å; I46-R57 HydrophobicContact CG2-CG 3.84Å; I46-R57 WeakPolarHBondContact O-CD 3.42Å; D47-R57 PolarHBondContact O-NE 3.25Å; N48-R57 PolarHBondContact OD1-NH1 3.25Å; N48-R57 PolarHBondContact OD1-NH2 3.03Å; V52-R57 HydrophobicContact CB-CG 4.3Å; V52-R57 HydrophobicContact CG1-CG 3.99Å; V52-R57 PolarHBondContact O-NE 3.29Å; S53-R57 WeakPolarHBondContact O-CG 3.46Å; S53-R57 PolarHBondContact O-N 2.94Å; Y54-R57 PolarHBondContact O-N 3.3Å; R57-Y59 PolarHBondContact O-N 3.19Å; R57-Y59 VanDerWaalsContact O-N 3.16Å; R57-Y60 PolarHBondContact O-N 3.01Å; R57-Y60 VanDerWaalsContact O-N 3.11Å |
| 58 | T | 96.7 | Very high | 93.4 | Very high | 25 Ų | 25 | 75.3 Ų | 75.3 | 15% | 0.153 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -69 | -10.3 | 178.3 | 70.2 | 0 | 0 | 0 | 0 | 113 | E38 L39 N56 | E38-T58 VanDerWaalsContact OE1-CB 3.29Å; E38-T58 WeakPolarHBondContact OE1-CB 3.4Å; E38-T58 PolarHBondContact OE1-OG1 2.82Å; E38-T58 VanDerWaalsContact OE1-OG1 3.04Å; L39-T58 WeakPolarHBondContact CB-O 3.28Å; L39-T58 PolarHBondContact N-O 2.89Å; N56-T58 PolarHBondContact O-N 2.81Å; N56-T58 VanDerWaalsContact O-N 3.15Å |
| 59 | Y | 97.2 | Very high | 93.6 | Very high | 77 Ų | 77 | 70.1 Ų | 70.1 | 30% | 0.302 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -107.2 | 7.6 | 175.3 | -63.5 | -95.6 | 0 | 0 | 0 | 113 | Q34 M35 E38 N56 R57 | Q34-Y59 CarbonylContact C-O 3.43Å; Q34-Y59 WeakPolarHBondContact CA-O 3.47Å; M35-Y59 PolarHBondContact N-O 2.94Å; E38-Y59 HydrophobicContact CB-CE1 3.93Å; E38-Y59 HydrophobicContact CB-CE2 4.23Å; N56-Y59 WeakPolarHBondContact O-CA 3.4Å; N56-Y59 WeakPolarHBondContact O-CB 3.12Å; N56-Y59 PolarHBondContact O-N 2.81Å; R57-Y59 PolarHBondContact O-N 3.19Å; R57-Y59 VanDerWaalsContact O-N 3.16Å |
| 60 | Y | 96.3 | Very high | 93.9 | Very high | 55 Ų | 55 | 67.3 Ų | 67.3 | 22% | 0.216 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 140.7 | 177.3 | -80.2 | -106.8 | 0 | 0 | 0 | 110.3 | I32 K33 Q34 I46 V52 N56 R57 | I32-Y60 HydrophobicContact CD1-CD1 4.15Å; K33-Y60 WeakPolarHBondContact O-CA 3.37Å; Q34-Y60 HydrophobicContact CB-CD1 4.47Å; Q34-Y60 HydrophobicContact CB-CE1 4.01Å; Q34-Y60 HydrophobicContact CB-CE2 4.08Å; Q34-Y60 HydrophobicContact CG-CD2 4.35Å; Q34-Y60 HydrophobicContact CG-CE2 3.82Å; Q34-Y60 PolarHBondContact OE1-OH 2.87Å; I46-Y60 WeakPolarHBondContact CG1-O 3.5Å; V52-Y60 HydrophobicContact CG1-CD2 3.66Å; V52-Y60 HydrophobicContact CG1-CE2 3.99Å; V52-Y60 HydrophobicContact CG1-CG 3.98Å; V52-Y60 HydrophobicContact CG2-CD1 3.99Å; V52-Y60 HydrophobicContact CG2-CE1 4.31Å; V52-Y60 HydrophobicContact CG2-CG 4.1Å; N56-Y60 HydrophobicContact CB-CD2 4.41Å; N56-Y60 HydrophobicContact CB-CE2 4.16Å; N56-Y60 WeakPolarHBondContact O-CD2 3.25Å; R57-Y60 PolarHBondContact O-N 3.01Å; R57-Y60 VanDerWaalsContact O-N 3.11Å |
| 61 | A | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 169.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I32 K33 M35 L39 Y68 | I32-A61 CarbonylContact C-O 3.5Å; I32-A61 WeakPolarHBondContact CA-O 3.38Å; K33-A61 PolarHBondContact N-O 3.42Å; K33-A61 PolarHBondContact O-N 3.19Å; K33-A61 VanDerWaalsContact O-N 3.12Å; M35-A61 HydrophobicContact CE-CB 3.75Å; L39-A61 HydrophobicContact CD1-CB 3.39Å; A61-Y68 HydrophobicContact CB-CD1 4.03Å; A61-Y68 HydrophobicContact CB-CG 4.32Å; A61-Y68 WeakPolarHBondContact CB-O 3.27Å |
| 62 | G | 94.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -72.9 | -157.1 | 166 | 0 | 0 | 0 | 0 | 0 | 113 | K33 Y68 | K33-G62 WeakPolarHBondContact CE-O 3.22Å; G62-Y68 PolarHBondContact N-O 2.91Å |
| 63 | S | 91.8 | Very high | 94.4 | Very high | 31 Ų | 31 | 62.1 Ų | 62.1 | 22% | 0.217 | 30% | 0.298 | C | S | . | . | trans | -73.5 | 148 | 178.3 | -170.8 | 0 | 0 | 0 | 0 | 111.9 | M65 F66 Y68 | S63-M65 PolarHBondContact O-N 2.92Å; S63-M65 PolarHBondContact OG-N 3.27Å; S63-F66 PolarHBondContact O-N 3.26Å; S63-F66 VanDerWaalsContact O-N 3.13Å; S63-Y68 WeakPolarHBondContact O-CA 3.31Å; S63-Y68 PolarHBondContact O-N 2.74Å | ||
| 64 | E | 91.6 | Very high | 94.3 | Very high | 129 Ų | 129 | 63.1 Ų | 63.1 | 60% | 0.603 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -62.9 | -28.1 | 172.6 | -178.2 | 174.5 | -172.1 | 0 | 0 | 111.5 | F66 D67 Y68 | E64-F66 PolarHBondContact O-N 2.85Å; E64-D67 PolarHBondContact O-N 3Å; E64-D67 VanDerWaalsContact O-N 3.09Å; E64-Y68 HydrophobicContact CB-CE1 4.07Å; E64-Y68 HydrophobicContact CG-CE1 4.33Å; E64-Y68 HydrophobicContact CG-CE2 4.38Å |
| 65 | M | 92.3 | Very high | 94.1 | Very high | 155 Ų | 155 | 56.7 Ų | 56.7 | 76% | 0.764 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -61.3 | -24.3 | 175.3 | -177.5 | 174.9 | 176.5 | 0 | 0 | 113.3 | S63 | S63-M65 PolarHBondContact O-N 2.92Å; S63-M65 PolarHBondContact OG-N 3.27Å |
| 66 | F | 93.6 | Very high | 93.9 | Very high | 62 Ų | 62 | 54.3 Ų | 54.3 | 27% | 0.272 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -110.7 | 32.8 | 178 | -60.6 | -66.8 | 0 | 0 | 0 | 111.1 | P10 F11 S63 E64 Y68 C69 T71 | P10-F66 HydrophobicContact CG-CE1 4.43Å; F11-F66 HydrophobicContact CE1-CB 4.49Å; S63-F66 PolarHBondContact O-N 3.26Å; S63-F66 VanDerWaalsContact O-N 3.13Å; E64-F66 PolarHBondContact O-N 2.85Å; F66-Y68 PolarHBondContact O-N 2.03Å; F66-Y68 VanDerWaalsContact O-N 3.11Å; F66-C69 WeakPolarHBondContact O-CB 3.37Å; F66-C69 PolarHBondContact O-N 3.3Å; F66-C69 PolarHBondContact O-SG 3.2Å; F66-T71 HydrophobicContact CB-CG2 3.92Å; F66-T71 HydrophobicContact CD1-CG2 4.21Å; F66-T71 HydrophobicContact CD2-CG2 3.63Å; F66-T71 WeakPolarHBondContact CD2-OG1 3.09Å; F66-T71 HydrophobicContact CE2-CG2 4.18Å; F66-T71 HydrophobicContact CG-CG2 3.66Å |
| 67 | D | 94.3 | Very high | 93.1 | Very high | 105 Ų | 105 | 53.6 Ų | 53.6 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 39.8 | -178.3 | -61.1 | -45.6 | 0 | 0 | 0 | 112.1 | Y45 E64 C69 | Y45-D67 WeakPolarHBondContact CE2-O 3.48Å; Y45-D67 PolarHBondContact OH-O 2.92Å; E64-D67 PolarHBondContact O-N 3Å; E64-D67 VanDerWaalsContact O-N 3.09Å; D67-C69 PolarHBondContact O-N 3.39Å |
| 68 | Y | 95.1 | Very high | 92.3 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 19% | 0.188 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 3.7 | -179 | -55.7 | -80.2 | 0 | 0 | 0 | 115.6 | M35 L39 Y43 A61 G62 S63 E64 F66 | M35-Y68 HydrophobicContact SD-CE1 4.45Å; L39-Y68 HydrophobicContact CD2-CD1 3.88Å; L39-Y68 HydrophobicContact CD2-CE1 3.95Å; L39-Y68 HydrophobicContact CD2-CG 4.27Å; Y43-Y68 AromaticContact CD1-CD2 3.67Å; Y43-Y68 HydrophobicContact CD1-CD2 3.67Å; Y43-Y68 HydrophobicContact CD1-CE2 4.35Å; Y43-Y68 HydrophobicContact CD2-CD2 4Å; Y43-Y68 HydrophobicContact CD2-CE2 4.05Å; Y43-Y68 HydrophobicContact CE1-CD2 4.26Å; Y43-Y68 HydrophobicContact CE2-CE2 4.33Å; Y43-Y68 AromaticContact CG-CD2 3.53Å; Y43-Y68 HydrophobicContact CG-CD2 3.53Å; Y43-Y68 HydrophobicContact CG-CE2 4.07Å; Y43-Y68 HydrophobicContact CG-CG 4.37Å; A61-Y68 HydrophobicContact CB-CD1 4.03Å; A61-Y68 HydrophobicContact CB-CG 4.32Å; A61-Y68 WeakPolarHBondContact CB-O 3.27Å; G62-Y68 PolarHBondContact N-O 2.91Å; S63-Y68 WeakPolarHBondContact O-CA 3.31Å; S63-Y68 PolarHBondContact O-N 2.74Å; E64-Y68 HydrophobicContact CB-CE1 4.07Å; E64-Y68 HydrophobicContact CG-CE1 4.33Å; E64-Y68 HydrophobicContact CG-CE2 4.38Å; F66-Y68 PolarHBondContact O-N 2.03Å; F66-Y68 VanDerWaalsContact O-N 3.11Å |
| 69 | C | 94.7 | Very high | 91.5 | Very high | 23 Ų | 23 | 60.4 Ų | 60.4 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | trans | -67.1 | 136 | 173.9 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | F11 Y45 F66 D67 T71 | F11-C69 HydrophobicContact CD1-CB 3.53Å; F11-C69 HydrophobicContact CE1-CB 3.49Å; F11-C69 VanDerWaalsContact CE1-CB 3.49Å; Y45-C69 VanDerWaalsContact CZ-SG 3.53Å; F66-C69 WeakPolarHBondContact O-CB 3.37Å; F66-C69 PolarHBondContact O-N 3.3Å; F66-C69 PolarHBondContact O-SG 3.2Å; D67-C69 PolarHBondContact O-N 3.39Å; C69-T71 PolarHBondContact O-N 3.16Å | ||
| 70 | P | 94.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | trans | -62.1 | 131.8 | 172.3 | -24.4 | 35.6 | 0 | 0 | 0 | 111.8 | F11 C12 I32 I46 F50 | F11-P70 CarbonylContact C-O 3.59Å; F11-P70 VanDerWaalsContact CA-O 3.27Å; F11-P70 WeakPolarHBondContact CA-O 2.99Å; C12-P70 PolarHBondContact N-O 3.28Å; C12-P70 WeakPolarHBondContact SG-CB 3.35Å; I32-P70 HydrophobicContact CG2-CB 3.95Å; I32-P70 HydrophobicContact CG2-CG 4.06Å; I46-P70 HydrophobicContact CD1-CG 3.64Å; F50-P70 HydrophobicContact CE1-CB 3.84Å; F50-P70 HydrophobicContact CE1-CG 3.9Å; F50-P70 HydrophobicContact CE2-CG 4.39Å; F50-P70 HydrophobicContact CZ-CB 3.72Å; F50-P70 HydrophobicContact CZ-CG 3.57Å | ||
| 71 | T | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 148.6 | -178.4 | 46.6 | 0 | 0 | 0 | 0 | 112.4 | P10 F11 C12 C30 V31 F66 C69 E73 | P10-T71 HydrophobicContact CB-CG2 4.24Å; P10-T71 HydrophobicContact CG-CG2 4.33Å; P10-T71 CarbonylContact O-C 3.55Å; P10-T71 WeakPolarHBondContact O-CA 3.41Å; P10-T71 WeakPolarHBondContact O-CB 3.46Å; F11-T71 HydrophobicContact CD1-CG2 3.8Å; F11-T71 HydrophobicContact CE1-CG2 4.19Å; C12-T71 VanDerWaalsContact SG-C 3.58Å; C12-T71 PolarHBondContact SG-N 3.11Å; C12-T71 VanDerWaalsContact SG-N 3.41Å; C30-T71 CarbonylContact C-O 3.55Å; C30-T71 WeakPolarHBondContact CA-O 3.33Å; V31-T71 PolarHBondContact N-O 2.91Å; F66-T71 HydrophobicContact CB-CG2 3.92Å; F66-T71 HydrophobicContact CD1-CG2 4.21Å; F66-T71 HydrophobicContact CD2-CG2 3.63Å; F66-T71 WeakPolarHBondContact CD2-OG1 3.09Å; F66-T71 HydrophobicContact CE2-CG2 4.18Å; F66-T71 HydrophobicContact CG-CG2 3.66Å; C69-T71 PolarHBondContact O-N 3.16Å; T71-E73 PolarHBondContact OG1-OE1 2.88Å |
| 72 | Y | 93.6 | Very high | 90 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 125.8 | 165.1 | -70.9 | -68 | 0 | 0 | 0 | 110 | Q9 P10 C12 N14 H17 K19 Y29 C30 | Q9-Y72 HydrophobicContact CG-CD2 4.12Å; P10-Y72 PolarHBondContact O-N 2.9Å; C12-Y72 HydrophobicContact CB-CD1 4.17Å; C12-Y72 HydrophobicContact CB-CD2 3.62Å; C12-Y72 HydrophobicContact CB-CE1 3.88Å; C12-Y72 HydrophobicContact CB-CE2 3.33Å; C12-Y72 HydrophobicContact CB-CG 4.03Å; C12-Y72 VanDerWaalsContact CB-CZ 3.47Å; N14-Y72 PolarHBondContact O-OH 3.22Å; H17-Y72 VanDerWaalsContact O-CE1 3.24Å; H17-Y72 WeakPolarHBondContact O-CE1 3.47Å; K19-Y72 HydrophobicContact CB-CD1 4.25Å; K19-Y72 HydrophobicContact CB-CE1 4.11Å; K19-Y72 HydrophobicContact CB-CE2 4.37Å; K19-Y72 HydrophobicContact CB-CG 4.49Å; K19-Y72 HydrophobicContact CD-CD2 4.33Å; K19-Y72 HydrophobicContact CD-CE2 3.68Å; K19-Y72 HydrophobicContact CG-CE1 4.23Å; K19-Y72 HydrophobicContact CG-CE2 4.18Å; Y29-Y72 CarbonylContact O-C 3.5Å; Y29-Y72 VanDerWaalsContact O-CA 3.31Å; Y29-Y72 WeakPolarHBondContact O-CA 3.32Å; C30-Y72 HydrophobicContact CB-CD1 4.14Å; C30-Y72 HydrophobicContact CB-CE1 3.87Å |
| 73 | E | 92.4 | Very high | 89.9 | Confident | 59 Ų | 59 | 63.5 Ų | 63.5 | 28% | 0.276 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 151.7 | 174.5 | -58.3 | -179.3 | -159.3 | 0 | 0 | 110.6 | G28 Y29 V31 T71 | G28-E73 CarbonylContact C-O 3.59Å; G28-E73 WeakPolarHBondContact CA-O 3.27Å; Y29-E73 VanDerWaalsContact CD1-O 3.24Å; Y29-E73 WeakPolarHBondContact CD1-O 3.22Å; Y29-E73 PolarHBondContact N-O 2.82Å; Y29-E73 PolarHBondContact O-N 2.89Å; V31-E73 HydrophobicContact CB-CG 4.37Å; V31-E73 HydrophobicContact CG2-CB 3.57Å; V31-E73 HydrophobicContact CG2-CG 3.61Å; T71-E73 PolarHBondContact OG1-OE1 2.88Å |
| 74 | M | 93.3 | Very high | 90 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 43% | 0.429 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 142.5 | 171.8 | 62.6 | 172.7 | 174.5 | 0 | 0 | 109.9 | L21 A26 P82 V84 | L21-M74 HydrophobicContact CD1-CB 3.99Å; A26-M74 HydrophobicContact CB-CB 4.28Å; M74-P82 HydrophobicContact SD-CB 4.02Å; M74-V84 HydrophobicContact SD-CG2 3.9Å |
| 75 | F | 90.7 | Very high | 90.2 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 21% | 0.211 | 30% | 0.303 | C | S | . | . | trans | -105.4 | 164.4 | 174.7 | 55.7 | -74.8 | 0 | 0 | 0 | 112 | I27 Y29 L77 P82 S83 | I27-F75 HydrophobicContact CB-CE1 4.07Å; I27-F75 HydrophobicContact CG2-CE1 3.98Å; I27-F75 HydrophobicContact CG2-CZ 4.44Å; I27-F75 WeakPolarHBondContact O-CD1 3.39Å; I27-F75 WeakPolarHBondContact O-CE1 3.47Å; Y29-F75 HydrophobicContact CD1-CB 3.73Å; Y29-F75 AromaticContact CD1-CD1 3.77Å; Y29-F75 HydrophobicContact CD1-CD1 3.77Å; Y29-F75 HydrophobicContact CD1-CG 4.12Å; Y29-F75 HydrophobicContact CE1-CB 3.51Å; Y29-F75 HydrophobicContact CE1-CD1 4.43Å; Y29-F75 HydrophobicContact CE1-CG 4.39Å; F75-L77 HydrophobicContact CD2-CD2 4.22Å; F75-L77 HydrophobicContact CE2-CD2 3.57Å; F75-L77 HydrophobicContact CZ-CD2 4.26Å; F75-P82 CarbonylContact O-C 3.54Å; F75-S83 WeakPolarHBondContact CD1-OG 3.24Å; F75-S83 PolarHBondContact N-OG 2.78Å; F75-S83 WeakPolarHBondContact O-CB 3.35Å; F75-S83 PolarHBondContact O-N 3.15Å; F75-S83 PolarHBondContact O-OG 3.24Å | ||
| 76 | L | 88.8 | Confident | 90.2 | Very high | 115 Ų | 115 | 55 Ų | 55 | 60% | 0.602 | 29% | 0.289 | S | S | * | . | B | Isolated β-bridge | trans | -84.6 | 135.3 | 165.6 | -57.6 | -177.3 | 0 | 0 | 0 | 109.9 | G80 R81 P82 | L76-G80 WeakPolarHBondContact CD2-O 3.32Å; L76-R81 WeakPolarHBondContact CA-O 3.36Å; L76-P82 HydrophobicContact CD2-CB 4.5Å; L76-P82 HydrophobicContact CD2-CG 4.13Å |
| 77 | L | 80.3 | Confident | 90 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 29% | 0.288 | 29% | 0.291 | S | S | . | . | trans | -70.2 | 173.2 | 169.2 | -59.8 | -174.7 | 0 | 0 | 0 | 110.7 | F75 D79 G80 R81 | F75-L77 HydrophobicContact CD2-CD2 4.22Å; F75-L77 HydrophobicContact CE2-CD2 3.57Å; F75-L77 HydrophobicContact CZ-CD2 4.26Å; L77-D79 PolarHBondContact O-N 2.98Å; L77-D79 VanDerWaalsContact O-N 3.07Å; L77-G80 WeakPolarHBondContact O-CA 3.46Å; L77-G80 PolarHBondContact O-N 2.83Å; L77-R81 PolarHBondContact N-O 3.19Å | ||
| 78 | S | 78.5 | Confident | 89.7 | Confident | 137 Ų | 137 | 54.5 Ų | 54.5 | 96% | 0.958 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22.8 | 176.8 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | G80 | S78-G80 VanDerWaalsContact C-N 3.29Š|
| 79 | D | 79.2 | Confident | 89.1 | Confident | 71 Ų | 71 | 53.1 Ų | 53.1 | 38% | 0.38 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 8.3 | 175.3 | 66 | 17.9 | 0 | 0 | 0 | 113.8 | L77 R81 R89 | L77-D79 PolarHBondContact O-N 2.98Å; L77-D79 VanDerWaalsContact O-N 3.07Å; D79-R81 PolarHBondContact O-N 2.72Å; D79-R81 VanDerWaalsContact OD1-CB 3.24Å; D79-R81 WeakPolarHBondContact OD1-CB 3.35Å; D79-R81 WeakPolarHBondContact OD1-CG 3.4Å; D79-R81 PolarHBondContact OD1-N 3.29Å; D79-R81 IonicContact OD1-NE 3.1Å; D79-R81 PolarHBondContact OD1-NE 3.33Å; D79-R81 IonicContact OD2-CZ 3.8Å; D79-R81 IonicContact OD2-NE 3.76Å; D79-R81 PolarHBondContact OD2-NE 3.41Å; D79-R81 IonicContact OD2-NH2 2.63Å; D79-R81 PolarHBondContact OD2-NH2 3.14Å; D79-R89 IonicContact OD2-NE 2.79Å |
| 80 | G | 83.4 | Confident | 88.2 | Confident | 47 Ų | 47 | 60 Ų | 60 | 49% | 0.485 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 77.1 | 2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L76 L77 S78 | L76-G80 WeakPolarHBondContact CD2-O 3.32Å; L77-G80 WeakPolarHBondContact O-CA 3.46Å; L77-G80 PolarHBondContact O-N 2.83Å; S78-G80 VanDerWaalsContact C-N 3.29Å |
| 81 | R | 83.5 | Confident | 87.5 | Confident | 109 Ų | 109 | 62.8 Ų | 62.8 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | trans | -94.7 | 151 | -178.4 | -55.7 | -178.6 | -75.5 | -165 | -12.9 | 111.5 | L76 L77 D79 R89 | L76-R81 WeakPolarHBondContact CA-O 3.36Å; L77-R81 PolarHBondContact N-O 3.19Å; D79-R81 PolarHBondContact O-N 2.72Å; D79-R81 VanDerWaalsContact OD1-CB 3.24Å; D79-R81 WeakPolarHBondContact OD1-CB 3.35Å; D79-R81 WeakPolarHBondContact OD1-CG 3.4Å; D79-R81 PolarHBondContact OD1-N 3.29Å; D79-R81 IonicContact OD1-NE 3.1Å; D79-R81 PolarHBondContact OD1-NE 3.33Å; D79-R81 IonicContact OD2-CZ 3.8Å; D79-R81 IonicContact OD2-NE 3.76Å; D79-R81 PolarHBondContact OD2-NE 3.41Å; D79-R81 IonicContact OD2-NH2 2.63Å; D79-R81 PolarHBondContact OD2-NH2 3.14Å; R81-R89 VanDerWaalsContact CZ-CD 3.47Å | ||
| 82 | P | 89.9 | Confident | 86.6 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 24% | 0.24 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -63.3 | 148.9 | -178.6 | -24.4 | 35.4 | 0 | 0 | 0 | 113.4 | M74 F75 L76 V84 F87 R89 | M74-P82 HydrophobicContact SD-CB 4.02Å; F75-P82 CarbonylContact O-C 3.54Å; L76-P82 HydrophobicContact CD2-CB 4.5Å; L76-P82 HydrophobicContact CD2-CG 4.13Å; P82-V84 HydrophobicContact CB-CB 4.35Å; P82-V84 HydrophobicContact CB-CG2 3.76Å; P82-V84 PolarHBondContact O-N 3.11Å; P82-F87 HydrophobicContact CB-CE2 4.28Å; P82-F87 HydrophobicContact CG-CE2 4.06Å; P82-R89 PolarHBondContact O-NH1 3.36Å; P82-R89 PolarHBondContact O-NH2 3.17Å |
| 83 | S | 92.4 | Very high | 85.5 | Confident | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.028 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -67 | 26 | 173.8 | 42.7 | 0 | 0 | 0 | 0 | 114.6 | A26 I27 F75 | A26-S83 VanDerWaalsContact CA-O 3.31Å; A26-S83 WeakPolarHBondContact CA-O 3.5Å; I27-S83 PolarHBondContact N-O 2.91Å; I27-S83 WeakPolarHBondContact O-CB 3.21Å; I27-S83 PolarHBondContact O-OG 3.32Å; F75-S83 WeakPolarHBondContact CD1-OG 3.24Å; F75-S83 PolarHBondContact N-OG 2.78Å; F75-S83 WeakPolarHBondContact O-CB 3.35Å; F75-S83 PolarHBondContact O-N 3.15Å; F75-S83 PolarHBondContact O-OG 3.24Å |
| 84 | V | 95.1 | Very high | 84.9 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -78.5 | 126.5 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | A26 M74 P82 R86 F87 | A26-V84 HydrophobicContact CB-CB 4.4Å; A26-V84 HydrophobicContact CB-CG2 3.93Å; M74-V84 HydrophobicContact SD-CG2 3.9Å; P82-V84 HydrophobicContact CB-CB 4.35Å; P82-V84 HydrophobicContact CB-CG2 3.76Å; P82-V84 PolarHBondContact O-N 3.11Å; V84-R86 HydrophobicContact CG1-CB 4.47Å; V84-R86 HydrophobicContact CG1-CG 3.33Å; V84-R86 PolarHBondContact O-N 3.22Å; V84-F87 HydrophobicContact CB-CD2 3.89Å; V84-F87 HydrophobicContact CB-CE2 3.96Å; V84-F87 HydrophobicContact CB-CG 4.36Å; V84-F87 HydrophobicContact CB-CZ 4.5Å; V84-F87 HydrophobicContact CG1-CD1 4.26Å; V84-F87 HydrophobicContact CG1-CD2 4.13Å; V84-F87 HydrophobicContact CG1-CE1 4.29Å; V84-F87 HydrophobicContact CG1-CE2 4.17Å; V84-F87 HydrophobicContact CG1-CG 4.19Å; V84-F87 HydrophobicContact CG1-CZ 4.25Å; V84-F87 HydrophobicContact CG2-CE2 4.25Å |
| 85 | C | 94.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -28.4 | -175 | -59.4 | 0 | 0 | 0 | 0 | 113.6 | K25 F87 L104 G105 T109 C110 C133 | K25-C85 VanDerWaalsContact O-CB 3.23Å; K25-C85 WeakPolarHBondContact O-CB 3.18Å; K25-C85 PolarHBondContact O-N 3.02Å; K25-C85 PolarHBondContact O-SG 3.16Å; K25-C85 VanDerWaalsContact O-SG 3.35Å; C85-F87 PolarHBondContact O-N 3.26Å; C85-L104 HydrophobicContact CB-CD2 4.35Å; C85-G105 PolarHBondContact O-N 3.35Å; C85-T109 VanDerWaalsContact SG-C 3.56Å; C85-C110 PolarHBondContact SG-N 2.94Å; C85-C110 VanDerWaalsContact SG-N 3.39Å; C85-C133 WeakPolarHBondContact CA-SG 3.24Å; C85-C133 HydrophobicContact CB-CB 3.6Å; C85-C133 WeakPolarHBondContact CB-SG 3.03Å; C85-C133 VanDerWaalsContact SG-CA 3.56Å; C85-C133 WeakPolarHBondContact SG-CB 3.3Å; C85-C133 CovalentContact SG-SG 2.03Å; C85-C133 PolarHBondContact SG-SG 2.8Å |
| 86 | R | 92.7 | Very high | 83.7 | Confident | 129 Ų | 129 | 75 Ų | 75 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -10.4 | -176.5 | 60 | 173.3 | -178.9 | 108.7 | -0.7 | 115 | V84 G105 | V84-R86 HydrophobicContact CG1-CB 4.47Å; V84-R86 HydrophobicContact CG1-CG 3.33Å; V84-R86 PolarHBondContact O-N 3.22Å; R86-G105 VanDerWaalsContact CA-O 3.24Å; R86-G105 WeakPolarHBondContact CA-O 3.35Å; R86-G105 CarbonylContact O-C 3.55Å; R86-G105 VanDerWaalsContact O-C 3.31Å |
| 87 | F | 90.6 | Very high | 83.4 | Confident | 72 Ų | 72 | 74.6 Ų | 74.6 | 32% | 0.316 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -83.5 | 122.2 | -179.6 | -68.3 | -18.5 | 0 | 0 | 0 | 110.6 | P82 V84 C85 R89 | P82-F87 HydrophobicContact CB-CE2 4.28Å; P82-F87 HydrophobicContact CG-CE2 4.06Å; V84-F87 HydrophobicContact CB-CD2 3.89Å; V84-F87 HydrophobicContact CB-CE2 3.96Å; V84-F87 HydrophobicContact CB-CG 4.36Å; V84-F87 HydrophobicContact CB-CZ 4.5Å; V84-F87 HydrophobicContact CG1-CD1 4.26Å; V84-F87 HydrophobicContact CG1-CD2 4.13Å; V84-F87 HydrophobicContact CG1-CE1 4.29Å; V84-F87 HydrophobicContact CG1-CE2 4.17Å; V84-F87 HydrophobicContact CG1-CG 4.19Å; V84-F87 HydrophobicContact CG1-CZ 4.25Å; V84-F87 HydrophobicContact CG2-CE2 4.25Å; C85-F87 PolarHBondContact O-N 3.26Å; F87-R89 PolarHBondContact O-N 3.03Å |
| 88 | S | 86.6 | Confident | 83.8 | Confident | 86 Ų | 86 | 72.6 Ų | 72.6 | 60% | 0.601 | 39% | 0.394 | S | S | * | . | trans | -59.3 | 120.8 | 179.2 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 89 | R | 82.3 | Confident | 84.3 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | trans | -137.1 | 135 | 170.6 | -56.1 | -166.7 | 177.4 | 106.4 | 12.5 | 109.2 | D79 R81 P82 F87 L91 L104 | D79-R89 IonicContact OD2-NE 2.79Å; R81-R89 VanDerWaalsContact CZ-CD 3.47Å; P82-R89 PolarHBondContact O-NH1 3.36Å; P82-R89 PolarHBondContact O-NH2 3.17Å; F87-R89 PolarHBondContact O-N 3.03Å; R89-L91 VanDerWaalsContact C-N 3.31Å; R89-L91 PolarHBondContact O-N 3.46Å; R89-L104 HydrophobicContact CB-CB 4.15Å; R89-L104 HydrophobicContact CB-CD1 3.78Å; R89-L104 HydrophobicContact CG-CB 4.49Å; R89-L104 HydrophobicContact CG-CD1 3.91Å | ||
| 90 | N | 77.5 | Confident | 84.9 | Confident | 169 Ų | 169 | 64.5 Ų | 64.5 | 90% | 0.904 | 34% | 0.341 | S | S | * | . | trans | -78.2 | 87.1 | 171.3 | -65.2 | -25 | 0 | 0 | 0 | 108.5 | ||||
| 91 | L | 79.4 | Confident | 85.4 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | trans | -69.2 | 132.7 | 164.4 | -66.5 | 176.3 | 0 | 0 | 0 | 107.8 | R89 E102 L104 | R89-L91 VanDerWaalsContact C-N 3.31Å; R89-L91 PolarHBondContact O-N 3.46Å; L91-E102 HydrophobicContact CD1-CB 3.74Å; L91-E102 WeakPolarHBondContact CD1-O 3.32Å; L91-L104 HydrophobicContact CD1-CD1 3.84Å; L91-L104 HydrophobicContact CD1-CG 3.94Å; L91-L104 HydrophobicContact CD2-CD1 4.22Å; L91-L104 HydrophobicContact CG-CD1 4.03Å; L91-L104 HydrophobicContact CG-CG 4.49Å | ||
| 92 | K | 74.7 | Confident | 85.8 | Confident | 137 Ų | 137 | 58.5 Ų | 58.5 | 60% | 0.596 | 31% | 0.305 | S | S | * | . | trans | -65.3 | 134.1 | 171.3 | -66.1 | -176.3 | 177.2 | 179.1 | 0 | 107.8 | D94 N97 N98 | K92-D94 WeakPolarHBondContact CB-OD2 3.02Å; K92-D94 PolarHBondContact O-N 2.85Å; K92-N97 HydrophobicContact CB-CB 4.46Å; K92-N98 WeakPolarHBondContact O-CB 3.5Å | ||
| 93 | P | 70.7 | Confident | 86 | Confident | 108 Ų | 108 | 59 Ų | 59 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -72 | 4.8 | -178.6 | 30.8 | -36.3 | 0 | 0 | 0 | 113 | ||
| 94 | D | 78.8 | Confident | 85.9 | Confident | 43 Ų | 43 | 60 Ų | 60 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -78.5 | 143.9 | -179 | 74.7 | 83.5 | 0 | 0 | 0 | 112 | K92 I96 N97 N98 | K92-D94 WeakPolarHBondContact CB-OD2 3.02Å; K92-D94 PolarHBondContact O-N 2.85Å; D94-I96 PolarHBondContact O-N 2.82Å; D94-I96 VanDerWaalsContact O-N 3.14Å; D94-I96 WeakPolarHBondContact OD1-CA 3.41Å; D94-I96 VanDerWaalsContact OD1-CB 3.29Å; D94-I96 WeakPolarHBondContact OD1-CB 3.45Å; D94-I96 PolarHBondContact OD1-N 2.79Å; D94-I96 VanDerWaalsContact OD1-N 3.08Å; D94-N97 VanDerWaalsContact CG-ND2 3.26Å; D94-N97 PolarHBondContact O-N 2.81Å; D94-N97 PolarHBondContact OD1-N 3.19Å; D94-N97 PolarHBondContact OD1-ND2 3.36Å; D94-N97 PolarHBondContact OD2-ND2 2.95Å; D94-N98 PolarHBondContact O-N 3.18Å |
| 95 | L | 80.5 | Confident | 85.8 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -5.8 | -176.3 | -57.6 | -177.2 | 0 | 0 | 0 | 113.9 | L101 R118 V168 Q169 V171 F173 | L95-L101 HydrophobicContact CD2-CD2 3.52Å; L95-R118 PolarHBondContact O-NH1 2.79Å; L95-V168 HydrophobicContact CD1-CG1 4.5Å; L95-V168 HydrophobicContact CD2-CB 4.32Å; L95-V168 HydrophobicContact CD2-CG1 3.92Å; L95-Q169 HydrophobicContact CD1-CB 4.3Å; L95-V171 HydrophobicContact CD1-CB 4.09Å; L95-V171 HydrophobicContact CD1-CG2 4.04Å; L95-F173 HydrophobicContact CD1-CE2 3.91Å; L95-F173 HydrophobicContact CD1-CZ 3.95Å; L95-F173 HydrophobicContact CD2-CE2 3.9Å; L95-F173 HydrophobicContact CD2-CZ 3.63Å; L95-F173 HydrophobicContact CG-CZ 4.23Å |
| 96 | I | 79.1 | Confident | 85.7 | Confident | 148 Ų | 148 | 64.5 Ų | 64.5 | 76% | 0.759 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -48 | 177.2 | -58.7 | 173.9 | 0 | 0 | 0 | 108.8 | D94 | D94-I96 PolarHBondContact O-N 2.82Å; D94-I96 VanDerWaalsContact O-N 3.14Å; D94-I96 WeakPolarHBondContact OD1-CA 3.41Å; D94-I96 VanDerWaalsContact OD1-CB 3.29Å; D94-I96 WeakPolarHBondContact OD1-CB 3.45Å; D94-I96 PolarHBondContact OD1-N 2.79Å; D94-I96 VanDerWaalsContact OD1-N 3.08Å |
| 97 | N | 81.4 | Confident | 85.7 | Confident | 107 Ų | 107 | 61.6 Ų | 61.6 | 57% | 0.572 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -24.3 | -178.2 | -63.4 | -58 | 0 | 0 | 0 | 113.1 | K92 D94 | K92-N97 HydrophobicContact CB-CB 4.46Å; D94-N97 VanDerWaalsContact CG-ND2 3.26Å; D94-N97 PolarHBondContact O-N 2.81Å; D94-N97 PolarHBondContact OD1-N 3.19Å; D94-N97 PolarHBondContact OD1-ND2 3.36Å; D94-N97 PolarHBondContact OD2-ND2 2.95Å |
| 98 | N | 88.6 | Confident | 85.9 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | trans | -120.8 | 63.8 | -179 | -166.4 | 5.3 | 0 | 0 | 0 | 112.3 | K92 D94 Y100 L101 E102 | K92-N98 WeakPolarHBondContact O-CB 3.5Å; D94-N98 PolarHBondContact O-N 3.18Å; N98-Y100 PolarHBondContact O-N 3.05Å; N98-L101 PolarHBondContact O-N 3.31Å; N98-L101 VanDerWaalsContact O-N 3.11Å; N98-L101 PolarHBondContact OD1-N 2.95Å; N98-E102 PolarHBondContact ND2-N 3.29Å; N98-E102 PolarHBondContact ND2-O 2.82Å; N98-E102 PolarHBondContact OD1-N 3.49Å | ||
| 99 | A | 88.6 | Confident | 86.3 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 12% | 0.124 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y127 | A99-Y127 HydrophobicContact CB-CD1 4.13Å; A99-Y127 HydrophobicContact CB-CE1 3.53Å; A99-Y127 HydrophobicContact CB-CE2 4.39Å |
| 100 | Y | 92.3 | Very high | 87 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 9% | 0.086 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 4.1 | 179 | -59.7 | -90.1 | 0 | 0 | 0 | 112.7 | N98 E102 F116 Y127 R129 H134 | N98-Y100 PolarHBondContact O-N 3.05Å; Y100-E102 PolarHBondContact O-N 3.37Å; Y100-F116 HydrophobicContact CD1-CB 4.2Å; Y100-F116 AromaticContact CD1-CD2 3.78Å; Y100-F116 HydrophobicContact CD1-CD2 3.78Å; Y100-F116 HydrophobicContact CD1-CE2 4.39Å; Y100-F116 HydrophobicContact CD1-CG 4.13Å; Y100-F116 HydrophobicContact CE1-CB 4.37Å; Y100-F116 HydrophobicContact CE1-CD2 4.48Å; Y100-Y127 HydrophobicContact CE1-CG 4.27Å; Y100-Y127 WeakPolarHBondContact OH-CB 3.1Å; Y100-R129 HydrophobicContact CE1-CB 3.62Å; Y100-R129 HydrophobicContact CE1-CG 4.29Å; Y100-R129 HydrophobicContact CE2-CB 4.4Å; Y100-R129 HydrophobicContact CE2-CG 4.23Å; Y100-R129 VanDerWaalsContact OH-CB 3.31Å; Y100-R129 WeakPolarHBondContact OH-CB 3.31Å; Y100-R129 WeakPolarHBondContact OH-CG 3.23Å; Y100-R129 PolarHBondContact OH-N 3.38Å; Y100-H134 PolarHBondContact O-CE1 3.41Å |
| 101 | L | 93.4 | Very high | 87.8 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | trans | 55.2 | 40.3 | -177.4 | -51.2 | 177.2 | 0 | 0 | 0 | 112.2 | L95 N98 H134 I148 N149 L166 V168 F173 | L95-L101 HydrophobicContact CD2-CD2 3.52Å; N98-L101 PolarHBondContact O-N 3.31Å; N98-L101 VanDerWaalsContact O-N 3.11Å; N98-L101 PolarHBondContact OD1-N 2.95Å; L101-H134 PolarHBondContact O-CE1 3.46Å; L101-H134 PolarHBondContact O-ND1 2.77Å; L101-H134 VanDerWaalsContact O-ND1 3.11Å; L101-I148 HydrophobicContact CB-CG2 3.7Å; L101-I148 HydrophobicContact CD1-CG2 3.87Å; L101-I148 HydrophobicContact CG-CG2 4.44Å; L101-N149 HydrophobicContact CD1-CB 4.31Å; L101-L166 HydrophobicContact CD1-CD1 3.85Å; L101-L166 HydrophobicContact CD1-CD2 4.06Å; L101-L166 HydrophobicContact CD1-CG 4.23Å; L101-V168 HydrophobicContact CD1-CG2 3.98Å; L101-V168 HydrophobicContact CD2-CG2 4.47Å; L101-F173 HydrophobicContact CD1-CB 4.21Å; L101-F173 HydrophobicContact CD1-CD1 4.01Å; L101-F173 HydrophobicContact CD1-CD2 4.09Å; L101-F173 HydrophobicContact CD1-CE1 4.43Å; L101-F173 HydrophobicContact CD1-CG 3.84Å; L101-F173 HydrophobicContact CD2-CE1 4.4Å; L101-F173 HydrophobicContact CD2-CZ 4.29Å; L101-F173 HydrophobicContact CG-CD1 4.27Å; L101-F173 HydrophobicContact CG-CE1 4.3Å | ||
| 102 | E | 93.4 | Very high | 88.5 | Confident | 26 Ų | 26 | 44 Ų | 44 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | trans | -71.3 | 147.7 | -177.1 | -50.4 | -167.1 | 84.7 | 0 | 0 | 111 | L91 N98 Y100 R129 S132 C133 | L91-E102 HydrophobicContact CD1-CB 3.74Å; L91-E102 WeakPolarHBondContact CD1-O 3.32Å; N98-E102 PolarHBondContact ND2-N 3.29Å; N98-E102 PolarHBondContact ND2-O 2.82Å; N98-E102 PolarHBondContact OD1-N 3.49Å; Y100-E102 PolarHBondContact O-N 3.37Å; E102-R129 IonicContact OE1-CZ 2.89Å; E102-R129 IonicContact OE1-NH1 2.93Å; E102-R129 IonicContact OE1-NH2 3.84Å; E102-R129 PolarHBondContact OE1-NH2 3.32Å; E102-R129 IonicContact OE2-CZ 3.61Å; E102-R129 IonicContact OE2-NH1 3.39Å; E102-R129 PolarHBondContact OE2-NH1 3.29Å; E102-R129 IonicContact OE2-NH2 3.57Å; E102-R129 PolarHBondContact OE2-NH2 3.38Å; E102-S132 WeakPolarHBondContact OE1-CA 3.39Å; E102-C133 CarbonylContact C-O 3.6Å; E102-C133 WeakPolarHBondContact CA-O 3.24Å; E102-C133 WeakPolarHBondContact CB-O 3.35Å; E102-C133 PolarHBondContact OE1-N 2.96Å | ||
| 103 | D | 92.9 | Very high | 89.5 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 25% | 0.246 | 21% | 0.211 | C | C | . | . | trans | -123.6 | 135.5 | 168.4 | -77.6 | -74 | 0 | 0 | 0 | 108.6 | S108 C133 K135 | D103-S108 VanDerWaalsContact C-OG 3.22Å; D103-S108 WeakPolarHBondContact O-CB 3.36Å; D103-S108 PolarHBondContact O-OG 2.9Å; D103-C133 PolarHBondContact N-O 2.91Å; D103-C133 CarbonylContact O-C 3.56Å; D103-K135 HydrophobicContact CB-CB 4.44Å; D103-K135 HydrophobicContact CB-CD 4.11Å; D103-K135 HydrophobicContact CB-CG 3.71Å | ||
| 104 | L | 91.3 | Very high | 90.6 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.131 | 19% | 0.186 | C | C | . | . | trans | -124.7 | 130.8 | -178.9 | -67.7 | 174.7 | 0 | 0 | 0 | 110.9 | C85 R89 L91 C133 | C85-L104 HydrophobicContact CB-CD2 4.35Å; R89-L104 HydrophobicContact CB-CB 4.15Å; R89-L104 HydrophobicContact CB-CD1 3.78Å; R89-L104 HydrophobicContact CG-CB 4.49Å; R89-L104 HydrophobicContact CG-CD1 3.91Å; L91-L104 HydrophobicContact CD1-CD1 3.84Å; L91-L104 HydrophobicContact CD1-CG 3.94Å; L91-L104 HydrophobicContact CD2-CD1 4.22Å; L91-L104 HydrophobicContact CG-CD1 4.03Å; L91-L104 HydrophobicContact CG-CG 4.49Å; L104-C133 HydrophobicContact CD2-CB 3.47Å; L104-C133 VanDerWaalsContact CD2-CB 3.47Å; L104-C133 VanDerWaalsContact CD2-SG 3.51Å; L104-C133 HydrophobicContact CG-CB 4.45Å | ||
| 105 | G | 92.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 155.4 | 175.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | C85 R86 D107 S108 | C85-G105 PolarHBondContact O-N 3.35Å; R86-G105 VanDerWaalsContact CA-O 3.24Å; R86-G105 WeakPolarHBondContact CA-O 3.35Å; R86-G105 CarbonylContact O-C 3.55Å; R86-G105 VanDerWaalsContact O-C 3.31Å; G105-D107 PolarHBondContact O-N 3.2Å; G105-S108 WeakPolarHBondContact O-CB 3.44Å; G105-S108 PolarHBondContact O-N 2.94Å |
| 106 | P | 92.1 | Very high | 92 | Very high | 101 Ų | 101 | 36.4 Ų | 36.4 | 66% | 0.656 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.9 | -173.6 | -26.4 | 35.3 | 0 | 0 | 0 | 115.2 | ||
| 107 | D | 93.3 | Very high | 92.8 | Very high | 68 Ų | 68 | 30.1 Ų | 30.1 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 8.3 | 177.4 | 60.4 | -25.9 | 0 | 0 | 0 | 113.7 | G105 K135 F136 | G105-D107 PolarHBondContact O-N 3.2Å; D107-K135 VanDerWaalsContact O-CA 3.32Å; D107-K135 WeakPolarHBondContact O-CA 3.24Å; D107-K135 IonicContact OD1-NZ 3.41Å; D107-K135 WeakPolarHBondContact OD2-CD 3.31Å; D107-K135 VanDerWaalsContact OD2-CE 3.27Å; D107-K135 WeakPolarHBondContact OD2-CE 3.38Å; D107-K135 IonicContact OD2-NZ 2.8Å; D107-K135 PolarHBondContact OD2-NZ 2.99Å; D107-F136 WeakPolarHBondContact O-CD1 3.29Å; D107-F136 WeakPolarHBondContact O-CE1 3.45Å; D107-F136 PolarHBondContact O-N 3.3Å |
| 108 | S | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 147.5 | 178.4 | -66 | 0 | 0 | 0 | 0 | 113.1 | D103 G105 H134 | D103-S108 VanDerWaalsContact C-OG 3.22Å; D103-S108 WeakPolarHBondContact O-CB 3.36Å; D103-S108 PolarHBondContact O-OG 2.9Å; G105-S108 WeakPolarHBondContact O-CB 3.44Å; G105-S108 PolarHBondContact O-N 2.94Å; S108-H134 CarbonylContact C-O 3.57Å; S108-H134 VanDerWaalsContact CA-O 3.24Å; S108-H134 WeakPolarHBondContact CA-O 3.24Å |
| 109 | T | 95.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 167.6 | 172.8 | -167.5 | 0 | 0 | 0 | 0 | 110 | C85 F111 C133 H134 F136 I185 | C85-T109 VanDerWaalsContact SG-C 3.56Å; T109-F111 HydrophobicContact CG2-CD2 4.07Å; T109-F111 HydrophobicContact CG2-CE1 4.48Å; T109-F111 HydrophobicContact CG2-CE2 3.38Å; T109-F111 HydrophobicContact CG2-CZ 3.63Å; T109-C133 WeakPolarHBondContact O-CA 3.27Å; T109-H134 PolarHBondContact N-O 2.75Å; T109-H134 PolarHBondContact O-N 2.73Å; T109-F136 HydrophobicContact CG2-CB 4.4Å; T109-F136 HydrophobicContact CG2-CD1 3.51Å; T109-F136 HydrophobicContact CG2-CE1 4.03Å; T109-F136 HydrophobicContact CG2-CG 4.09Å; T109-I185 HydrophobicContact CG2-CD1 3.71Å; T109-I185 HydrophobicContact CG2-CG1 4.26Å; T109-I185 HydrophobicContact CG2-CG2 4.28Å |
| 110 | C | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 139.2 | 175.3 | -174 | 0 | 0 | 0 | 0 | 110.3 | C20 C85 S132 | C20-C110 WeakPolarHBondContact CA-SG 3.32Å; C20-C110 HydrophobicContact CB-CB 3.61Å; C20-C110 WeakPolarHBondContact CB-SG 3.25Å; C20-C110 WeakPolarHBondContact SG-CB 3.35Å; C20-C110 CovalentContact SG-SG 2.03Å; C20-C110 PolarHBondContact SG-SG 2.83Å; C85-C110 PolarHBondContact SG-N 2.94Å; C85-C110 VanDerWaalsContact SG-N 3.39Å; C110-S132 WeakPolarHBondContact CA-O 3.07Å |
| 111 | F | 95.5 | Very high | 94 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.4 | 168 | -67.8 | -90.6 | 0 | 0 | 0 | 110.8 | C20 T109 H113 S131 S132 H134 F136 L144 V146 I177 I185 | C20-F111 WeakPolarHBondContact SG-CA 3.46Å; C20-F111 PolarHBondContact SG-N 3.18Å; T109-F111 HydrophobicContact CG2-CD2 4.07Å; T109-F111 HydrophobicContact CG2-CE1 4.48Å; T109-F111 HydrophobicContact CG2-CE2 3.38Å; T109-F111 HydrophobicContact CG2-CZ 3.63Å; F111-H113 PolarHBondContact O-CD2 2.03Å; F111-S131 WeakPolarHBondContact O-CA 3.37Å; F111-S132 PolarHBondContact N-O 3.22Å; F111-S132 PolarHBondContact O-N 2.78Å; F111-H134 HydrophobicContact CD2-CB 3.9Å; F111-H134 HydrophobicContact CE2-CB 4.06Å; F111-F136 HydrophobicContact CE2-CB 4.33Å; F111-F136 HydrophobicContact CZ-CB 3.96Å; F111-L144 HydrophobicContact CE1-CD2 4.21Å; F111-V146 HydrophobicContact CD1-CG2 4.45Å; F111-V146 HydrophobicContact CD2-CG2 3.87Å; F111-V146 HydrophobicContact CE1-CB 4.13Å; F111-V146 HydrophobicContact CE1-CG2 4.29Å; F111-V146 HydrophobicContact CE2-CB 4.25Å; F111-V146 HydrophobicContact CE2-CG2 3.67Å; F111-V146 HydrophobicContact CG-CG2 4.25Å; F111-V146 HydrophobicContact CZ-CB 3.94Å; F111-V146 HydrophobicContact CZ-CG2 3.9Å; F111-I177 HydrophobicContact CB-CD1 3.76Å; F111-I177 HydrophobicContact CB-CG1 4.23Å; F111-I177 HydrophobicContact CD1-CD1 3.98Å; F111-I177 HydrophobicContact CD1-CG1 4.48Å; F111-I177 HydrophobicContact CG-CD1 3.96Å; F111-I185 HydrophobicContact CE1-CD1 4.08Å; F111-I185 HydrophobicContact CZ-CD1 4.21Å |
| 112 | D | 94.2 | Very high | 94 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 19% | 0.193 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 141.3 | 170.3 | -72.9 | -46.6 | 0 | 0 | 0 | 109.1 | K19 C20 T130 Y178 | K19-D112 VanDerWaalsContact CA-OD1 3.31Å; K19-D112 WeakPolarHBondContact CA-OD1 3.22Å; C20-D112 PolarHBondContact N-OD1 3.47Å; C20-D112 PolarHBondContact SG-N 3.02Å; D112-T130 CarbonylContact C-O 3.4Å; D112-T130 WeakPolarHBondContact CA-O 3.5Å; D112-Y178 HydrophobicContact CB-CD2 4.31Å; D112-Y178 PolarHBondContact O-N 2.86Å |
| 113 | H | 94.7 | Very high | 94 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 162.1 | -179.1 | 57.7 | 69.8 | 0 | 0 | 0 | 111.8 | F111 F116 R129 T130 S131 S132 T175 D176 | F111-H113 PolarHBondContact O-CD2 2.03Å; H113-F116 AromaticContact CD2-CE2 3.74Å; H113-F116 AromaticContact CE1-CD2 3.39Å; H113-F116 WeakPolarHBondContact CE1-CD2 3.39Å; H113-F116 AromaticContact CE1-CE2 3.61Å; H113-F116 AromaticContact CG-CE2 3.82Å; H113-F116 AromaticContact ND1-CD2 3.54Å; H113-F116 AromaticContact ND1-CE2 3.73Å; H113-F116 AromaticContact NE2-CD2 3.85Å; H113-F116 AromaticContact NE2-CE2 3.6Å; H113-R129 PolarHBondContact CE1-O 3.14Å; H113-R129 VanDerWaalsContact CE1-O 3.22Å; H113-T130 VanDerWaalsContact CE1-C 3.48Å; H113-T130 PolarHBondContact N-O 3.28Å; H113-T130 CarbonylContact O-C 3.59Å; H113-T130 VanDerWaalsContact O-CA 3.22Å; H113-T130 WeakPolarHBondContact O-CA 3.04Å; H113-T130 VanDerWaalsContact O-CB 3.25Å; H113-T130 WeakPolarHBondContact O-CB 3.4Å; H113-S131 PolarHBondContact CE1-N 2.79Å; H113-S131 VanDerWaalsContact NE2-CA 3.35Å; H113-S131 WeakPolarHBondContact NE2-CA 3.13Å; H113-S131 PolarHBondContact NE2-N 2.99Å; H113-S132 PolarHBondContact CD2-OG 3.35Å; H113-S132 WeakPolarHBondContact NE2-CB 3.49Å; H113-S132 PolarHBondContact NE2-N 2.66Å; H113-S132 PolarHBondContact NE2-OG 2.95Å; H113-T175 HydrophobicContact CB-CG2 4.26Å; H113-D176 CarbonylContact C-O 3.58Å; H113-D176 VanDerWaalsContact CA-O 3.22Å; H113-D176 WeakPolarHBondContact CA-O 3.36Å |
| 114 | G | 93.8 | Very high | 94.1 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -63.2 | 179.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F116 T175 D176 | G114-F116 PolarHBondContact O-N 3.3Å; G114-T175 PolarHBondContact O-OG1 2.88Å; G114-D176 PolarHBondContact N-O 3.19Å |
| 115 | K | 93.7 | Very high | 94.3 | Very high | 122 Ų | 122 | 57.6 Ų | 57.6 | 53% | 0.53 | 29% | 0.289 | S | S | . | . | trans | -63.8 | 128.1 | 177 | -68.6 | -176.6 | -178.9 | 178.7 | 0 | 110.1 | V117 T126 Y127 | K115-V117 PolarHBondContact O-N 3.02Å; K115-T126 HydrophobicContact CB-CG2 3.61Å; K115-T126 HydrophobicContact CD-CG2 3.84Å; K115-T126 HydrophobicContact CG-CG2 4.31Å; K115-Y127 VanDerWaalsContact CB-O 3.24Å; K115-Y127 WeakPolarHBondContact CB-O 3.42Å; K115-Y127 WeakPolarHBondContact CG-O 3.24Å | ||
| 116 | F | 94 | Very high | 94.5 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | trans | -65 | 133.9 | 172.2 | -99.4 | -96.5 | 0 | 0 | 0 | 109.9 | Y100 H113 G114 T126 Y127 F173 T175 | Y100-F116 HydrophobicContact CD1-CB 4.2Å; Y100-F116 AromaticContact CD1-CD2 3.78Å; Y100-F116 HydrophobicContact CD1-CD2 3.78Å; Y100-F116 HydrophobicContact CD1-CE2 4.39Å; Y100-F116 HydrophobicContact CD1-CG 4.13Å; Y100-F116 HydrophobicContact CE1-CB 4.37Å; Y100-F116 HydrophobicContact CE1-CD2 4.48Å; H113-F116 AromaticContact CD2-CE2 3.74Å; H113-F116 AromaticContact CE1-CD2 3.39Å; H113-F116 WeakPolarHBondContact CE1-CD2 3.39Å; H113-F116 AromaticContact CE1-CE2 3.61Å; H113-F116 AromaticContact CG-CE2 3.82Å; H113-F116 AromaticContact ND1-CD2 3.54Å; H113-F116 AromaticContact ND1-CE2 3.73Å; H113-F116 AromaticContact NE2-CD2 3.85Å; H113-F116 AromaticContact NE2-CE2 3.6Å; G114-F116 PolarHBondContact O-N 3.3Å; F116-T126 CarbonylContact O-C 3.44Å; F116-T126 WeakPolarHBondContact O-CA 3.44Å; F116-Y127 HydrophobicContact CB-CD2 4.12Å; F116-Y127 PolarHBondContact O-N 2.96Å; F116-F173 HydrophobicContact CD1-CD1 4.38Å; F116-T175 HydrophobicContact CD2-CG2 4.23Å; F116-T175 HydrophobicContact CE1-CG2 4.11Å; F116-T175 HydrophobicContact CE2-CG2 3.82Å; F116-T175 HydrophobicContact CZ-CG2 3.76Å | ||
| 117 | V | 96.4 | Very high | 94.5 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 124 | 172.9 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | K115 R124 Q125 T126 F173 S174 | K115-V117 PolarHBondContact O-N 3.02Å; V117-R124 HydrophobicContact CG1-CG 3.92Å; V117-Q125 CarbonylContact C-O 3.59Å; V117-Q125 WeakPolarHBondContact CA-O 3.43Å; V117-T126 HydrophobicContact CG2-CG2 4.41Å; V117-F173 CarbonylContact O-C 3.6Å; V117-F173 WeakPolarHBondContact O-CA 3.1Å; V117-S174 PolarHBondContact N-O 3.1Å; V117-S174 PolarHBondContact O-N 3.33Å |
| 118 | R | 94.6 | Very high | 94.4 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.7 | 171.5 | -179.5 | 175.7 | 81.6 | 175.2 | 6 | 109.1 | L95 R124 Q125 Y127 V171 E172 F173 | L95-R118 PolarHBondContact O-NH1 2.79Å; R118-R124 CarbonylContact O-C 3.55Å; R118-R124 WeakPolarHBondContact O-CA 3.4Å; R118-Q125 PolarHBondContact N-O 2.93Å; R118-Q125 PolarHBondContact O-N 3.38Å; R118-Y127 HydrophobicContact CB-CE2 3.66Å; R118-Y127 PolarHBondContact NE-OH 2.97Å; R118-Y127 PolarHBondContact NH1-OH 2.82Å; R118-Y127 PolarHBondContact NH2-OH 3.08Å; R118-V171 HydrophobicContact CG-CG1 3.31Å; R118-E172 CarbonylContact C-O 3.59Å; R118-E172 WeakPolarHBondContact CA-O 3.35Å; R118-F173 HydrophobicContact CB-CD1 4.35Å; R118-F173 HydrophobicContact CB-CE1 4.07Å; R118-F173 HydrophobicContact CG-CD1 4.49Å; R118-F173 HydrophobicContact CG-CE1 3.91Å; R118-F173 HydrophobicContact CG-CE2 4.47Å; R118-F173 HydrophobicContact CG-CZ 3.88Å |
| 119 | Q | 95.1 | Very high | 94.2 | Very high | 80 Ų | 80 | 61.8 Ų | 61.8 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 134.8 | -176.3 | -175.5 | 167.8 | -22.6 | 0 | 0 | 111.4 | S123 R124 E172 | Q119-S123 WeakPolarHBondContact CA-O 3.35Å; Q119-R124 HydrophobicContact CB-CG 4.45Å; Q119-R124 HydrophobicContact CG-CB 4.36Å; Q119-R124 HydrophobicContact CG-CG 4.47Å; Q119-E172 PolarHBondContact N-O 3.2Å; Q119-E172 PolarHBondContact O-N 3.45Å |
| 120 | N | 93.3 | Very high | 94.1 | Very high | 57 Ų | 57 | 62.6 Ų | 62.6 | 31% | 0.305 | 31% | 0.313 | S | S | . | . | trans | -128.7 | -169.8 | 167.6 | 66.4 | 23.5 | 0 | 0 | 0 | 109.1 | T122 S123 V171 | N120-T122 PolarHBondContact O-N 3.02Å; N120-T122 PolarHBondContact OD1-N 2.87Å; N120-T122 PolarHBondContact OD1-OG1 2.73Å; N120-S123 VanDerWaalsContact CG-OG 3.26Å; N120-S123 PolarHBondContact N-O 3.02Å; N120-S123 PolarHBondContact ND2-OG 2.79Å; N120-S123 PolarHBondContact OD1-N 3.39Å; N120-S123 PolarHBondContact OD1-O 2.93Å; N120-S123 PolarHBondContact OD1-OG 3.21Å; N120-V171 HydrophobicContact CB-CG2 4.41Å | ||
| 121 | K | 92.8 | Very high | 94 | Very high | 217 Ų | 217 | 62.5 Ų | 62.5 | 94% | 0.943 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -61.9 | -24 | -178.1 | -65.4 | -174.7 | 179.7 | -179.5 | 0 | 114.4 | ||
| 122 | T | 93.6 | Very high | 93.9 | Very high | 134 Ų | 134 | 62.4 Ų | 62.4 | 82% | 0.822 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -118.4 | -14.8 | -170.6 | 56.6 | 0 | 0 | 0 | 0 | 114 | N120 | N120-T122 PolarHBondContact O-N 3.02Å; N120-T122 PolarHBondContact OD1-N 2.87Å; N120-T122 PolarHBondContact OD1-OG1 2.73Å |
| 123 | S | 94.1 | Very high | 94 | Very high | 45 Ų | 45 | 60.9 Ų | 60.9 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | trans | -148.7 | 147.9 | -170.4 | 65 | 0 | 0 | 0 | 0 | 112.3 | Q119 N120 | Q119-S123 WeakPolarHBondContact CA-O 3.35Å; N120-S123 VanDerWaalsContact CG-OG 3.26Å; N120-S123 PolarHBondContact N-O 3.02Å; N120-S123 PolarHBondContact ND2-OG 2.79Å; N120-S123 PolarHBondContact OD1-N 3.39Å; N120-S123 PolarHBondContact OD1-O 2.93Å; N120-S123 PolarHBondContact OD1-OG 3.21Å | ||
| 124 | R | 95.9 | Very high | 94 | Very high | 168 Ų | 168 | 60.7 Ų | 60.7 | 63% | 0.634 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.5 | 171.8 | -176.1 | 179.2 | -176.8 | -131.6 | -0.9 | 108.1 | V117 R118 Q119 | V117-R124 HydrophobicContact CG1-CG 3.92Å; R118-R124 CarbonylContact O-C 3.55Å; R118-R124 WeakPolarHBondContact O-CA 3.4Å; Q119-R124 HydrophobicContact CB-CG 4.45Å; Q119-R124 HydrophobicContact CG-CB 4.36Å; Q119-R124 HydrophobicContact CG-CG 4.47Å |
| 125 | Q | 95.1 | Very high | 94.1 | Very high | 83 Ų | 83 | 63 Ų | 63 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.4 | -178.6 | -71.8 | 172.2 | -34.1 | 0 | 0 | 109.3 | V117 R118 | V117-Q125 CarbonylContact C-O 3.59Å; V117-Q125 WeakPolarHBondContact CA-O 3.43Å; R118-Q125 PolarHBondContact N-O 2.93Å; R118-Q125 PolarHBondContact O-N 3.38Å |
| 126 | T | 95.4 | Very high | 94.2 | Very high | 79 Ų | 79 | 58.8 Ų | 58.8 | 49% | 0.485 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.5 | 178.2 | -57.1 | 0 | 0 | 0 | 0 | 108.7 | K115 F116 V117 | K115-T126 HydrophobicContact CB-CG2 3.61Å; K115-T126 HydrophobicContact CD-CG2 3.84Å; K115-T126 HydrophobicContact CG-CG2 4.31Å; F116-T126 CarbonylContact O-C 3.44Å; F116-T126 WeakPolarHBondContact O-CA 3.44Å; V117-T126 HydrophobicContact CG2-CG2 4.41Å |
| 127 | Y | 92.7 | Very high | 94.3 | Very high | 42 Ų | 42 | 64.5 Ų | 64.5 | 17% | 0.165 | 32% | 0.315 | C | S | . | . | trans | -98.6 | 138.2 | -178.4 | -68.9 | -80.6 | 0 | 0 | 0 | 110.6 | A99 Y100 K115 F116 R118 | A99-Y127 HydrophobicContact CB-CD1 4.13Å; A99-Y127 HydrophobicContact CB-CE1 3.53Å; A99-Y127 HydrophobicContact CB-CE2 4.39Å; Y100-Y127 HydrophobicContact CE1-CG 4.27Å; Y100-Y127 WeakPolarHBondContact OH-CB 3.1Å; K115-Y127 VanDerWaalsContact CB-O 3.24Å; K115-Y127 WeakPolarHBondContact CB-O 3.42Å; K115-Y127 WeakPolarHBondContact CG-O 3.24Å; F116-Y127 HydrophobicContact CB-CD2 4.12Å; F116-Y127 PolarHBondContact O-N 2.96Å; R118-Y127 HydrophobicContact CB-CE2 3.66Å; R118-Y127 PolarHBondContact NE-OH 2.97Å; R118-Y127 PolarHBondContact NH1-OH 2.82Å; R118-Y127 PolarHBondContact NH2-OH 3.08Å | ||
| 128 | S | 90.2 | Very high | 94.2 | Very high | 87 Ų | 87 | 65.2 Ų | 65.2 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | trans | -79.7 | -27.2 | -170.1 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 129 | R | 91.4 | Very high | 93.8 | Very high | 51 Ų | 51 | 64.3 Ų | 64.3 | 19% | 0.192 | 32% | 0.323 | C | S | . | . | trans | -66.7 | 142.6 | -178.3 | -58.8 | 176.1 | 40.8 | -150.9 | -12.2 | 110.4 | Q18 Y100 E102 H113 S131 | Q18-R129 VanDerWaalsContact OE1-CB 3.3Å; Q18-R129 VanDerWaalsContact OE1-CD 3.26Å; Y100-R129 HydrophobicContact CE1-CB 3.62Å; Y100-R129 HydrophobicContact CE1-CG 4.29Å; Y100-R129 HydrophobicContact CE2-CB 4.4Å; Y100-R129 HydrophobicContact CE2-CG 4.23Å; Y100-R129 VanDerWaalsContact OH-CB 3.31Å; Y100-R129 WeakPolarHBondContact OH-CB 3.31Å; Y100-R129 WeakPolarHBondContact OH-CG 3.23Å; Y100-R129 PolarHBondContact OH-N 3.38Å; E102-R129 IonicContact OE1-CZ 2.89Å; E102-R129 IonicContact OE1-NH1 2.93Å; E102-R129 IonicContact OE1-NH2 3.84Å; E102-R129 PolarHBondContact OE1-NH2 3.32Å; E102-R129 IonicContact OE2-CZ 3.61Å; E102-R129 IonicContact OE2-NH1 3.39Å; E102-R129 PolarHBondContact OE2-NH1 3.29Å; E102-R129 IonicContact OE2-NH2 3.57Å; E102-R129 PolarHBondContact OE2-NH2 3.38Å; H113-R129 PolarHBondContact CE1-O 3.14Å; H113-R129 VanDerWaalsContact CE1-O 3.22Å; R129-S131 PolarHBondContact NH2-O 3.17Å | ||
| 130 | T | 93 | Very high | 93.4 | Very high | 18 Ų | 18 | 67 Ų | 67 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | trans | -116 | 13.5 | -177.4 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | Q18 D112 H113 | Q18-T130 PolarHBondContact N-OG1 2.95Å; Q18-T130 PolarHBondContact O-OG1 3.11Å; D112-T130 CarbonylContact C-O 3.4Å; D112-T130 WeakPolarHBondContact CA-O 3.5Å; H113-T130 VanDerWaalsContact CE1-C 3.48Å; H113-T130 PolarHBondContact N-O 3.28Å; H113-T130 CarbonylContact O-C 3.59Å; H113-T130 VanDerWaalsContact O-CA 3.22Å; H113-T130 WeakPolarHBondContact O-CA 3.04Å; H113-T130 VanDerWaalsContact O-CB 3.25Å; H113-T130 WeakPolarHBondContact O-CB 3.4Å | ||
| 131 | S | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 144.3 | 173.2 | 38.7 | 0 | 0 | 0 | 0 | 111.1 | Q18 K19 I27 F111 H113 R129 | Q18-S131 VanDerWaalsContact CB-OG 3.24Å; Q18-S131 WeakPolarHBondContact CB-OG 3.05Å; Q18-S131 PolarHBondContact O-OG 3.48Å; K19-S131 PolarHBondContact N-OG 3.18Å; I27-S131 WeakPolarHBondContact CG2-OG 3.42Å; F111-S131 WeakPolarHBondContact O-CA 3.37Å; H113-S131 PolarHBondContact CE1-N 2.79Å; H113-S131 VanDerWaalsContact NE2-CA 3.35Å; H113-S131 WeakPolarHBondContact NE2-CA 3.13Å; H113-S131 PolarHBondContact NE2-N 2.99Å; R129-S131 PolarHBondContact NH2-O 3.17Å |
| 132 | S | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 156.3 | -176 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | E102 C110 F111 H113 H134 | E102-S132 WeakPolarHBondContact OE1-CA 3.39Å; C110-S132 WeakPolarHBondContact CA-O 3.07Å; F111-S132 PolarHBondContact N-O 3.22Å; F111-S132 PolarHBondContact O-N 2.78Å; H113-S132 PolarHBondContact CD2-OG 3.35Å; H113-S132 WeakPolarHBondContact NE2-CB 3.49Å; H113-S132 PolarHBondContact NE2-N 2.66Å; H113-S132 PolarHBondContact NE2-OG 2.95Å; S132-H134 PolarHBondContact OG-CD2 2.81Å; S132-H134 PolarHBondContact OG-NE2 2.92Å |
| 133 | C | 95.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.02 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.9 | 176.5 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | C85 E102 D103 L104 T109 | C85-C133 WeakPolarHBondContact CA-SG 3.24Å; C85-C133 HydrophobicContact CB-CB 3.6Å; C85-C133 WeakPolarHBondContact CB-SG 3.03Å; C85-C133 VanDerWaalsContact SG-CA 3.56Å; C85-C133 WeakPolarHBondContact SG-CB 3.3Å; C85-C133 CovalentContact SG-SG 2.03Å; C85-C133 PolarHBondContact SG-SG 2.8Å; E102-C133 CarbonylContact C-O 3.6Å; E102-C133 WeakPolarHBondContact CA-O 3.24Å; E102-C133 WeakPolarHBondContact CB-O 3.35Å; E102-C133 PolarHBondContact OE1-N 2.96Å; D103-C133 PolarHBondContact N-O 2.91Å; D103-C133 CarbonylContact O-C 3.56Å; L104-C133 HydrophobicContact CD2-CB 3.47Å; L104-C133 VanDerWaalsContact CD2-CB 3.47Å; L104-C133 VanDerWaalsContact CD2-SG 3.51Å; L104-C133 HydrophobicContact CG-CB 4.45Å; T109-C133 WeakPolarHBondContact O-CA 3.27Å |
| 134 | H | 95.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.2 | 176.1 | -65.5 | -67.8 | 0 | 0 | 0 | 111.6 | Y100 L101 S108 T109 F111 S132 V146 | Y100-H134 PolarHBondContact O-CE1 3.41Å; L101-H134 PolarHBondContact O-CE1 3.46Å; L101-H134 PolarHBondContact O-ND1 2.77Å; L101-H134 VanDerWaalsContact O-ND1 3.11Å; S108-H134 CarbonylContact C-O 3.57Å; S108-H134 VanDerWaalsContact CA-O 3.24Å; S108-H134 WeakPolarHBondContact CA-O 3.24Å; T109-H134 PolarHBondContact N-O 2.75Å; T109-H134 PolarHBondContact O-N 2.73Å; F111-H134 HydrophobicContact CD2-CB 3.9Å; F111-H134 HydrophobicContact CE2-CB 4.06Å; S132-H134 PolarHBondContact OG-CD2 2.81Å; S132-H134 PolarHBondContact OG-NE2 2.92Å; H134-V146 HydrophobicContact CB-CG2 3.78Å |
| 135 | K | 96 | Very high | 92.2 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 152.4 | 169.6 | -79.1 | 175.3 | -177.2 | -129.4 | 0 | 110.6 | D103 D107 I147 | D103-K135 HydrophobicContact CB-CB 4.44Å; D103-K135 HydrophobicContact CB-CD 4.11Å; D103-K135 HydrophobicContact CB-CG 3.71Å; D107-K135 VanDerWaalsContact O-CA 3.32Å; D107-K135 WeakPolarHBondContact O-CA 3.24Å; D107-K135 IonicContact OD1-NZ 3.41Å; D107-K135 WeakPolarHBondContact OD2-CD 3.31Å; D107-K135 VanDerWaalsContact OD2-CE 3.27Å; D107-K135 WeakPolarHBondContact OD2-CE 3.38Å; D107-K135 IonicContact OD2-NZ 2.8Å; D107-K135 PolarHBondContact OD2-NZ 2.99Å; K135-I147 HydrophobicContact CB-CB 3.82Å; K135-I147 HydrophobicContact CB-CD1 4.31Å; K135-I147 HydrophobicContact CB-CG1 4.5Å; K135-I147 HydrophobicContact CB-CG2 4.39Å; K135-I147 PolarHBondContact O-N 2.02Å |
| 136 | F | 95.6 | Very high | 92.2 | Very high | 35 Ų | 35 | 45.9 Ų | 45.9 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 158.5 | 175.4 | 68.6 | -84.4 | 0 | 0 | 0 | 111.6 | D107 T109 F111 L144 Q145 I185 | D107-F136 WeakPolarHBondContact O-CD1 3.29Å; D107-F136 WeakPolarHBondContact O-CE1 3.45Å; D107-F136 PolarHBondContact O-N 3.3Å; T109-F136 HydrophobicContact CG2-CB 4.4Å; T109-F136 HydrophobicContact CG2-CD1 3.51Å; T109-F136 HydrophobicContact CG2-CE1 4.03Å; T109-F136 HydrophobicContact CG2-CG 4.09Å; F111-F136 HydrophobicContact CE2-CB 4.33Å; F111-F136 HydrophobicContact CZ-CB 3.96Å; F136-L144 HydrophobicContact CB-CD1 4.01Å; F136-L144 HydrophobicContact CD2-CD1 4.16Å; F136-L144 HydrophobicContact CG-CD1 4.43Å; F136-Q145 CarbonylContact C-O 3.55Å; F136-Q145 WeakPolarHBondContact CA-O 3.44Å; F136-Q145 WeakPolarHBondContact CB-O 3.24Å; F136-I185 HydrophobicContact CD1-CG2 4.21Å; F136-I185 HydrophobicContact CD2-CG2 3.34Å; F136-I185 HydrophobicContact CE1-CG2 4.15Å; F136-I185 HydrophobicContact CE2-CG2 3.27Å; F136-I185 HydrophobicContact CG-CG2 3.84Å; F136-I185 HydrophobicContact CZ-CG2 3.7Å |
| 137 | K | 95.5 | Very high | 92.3 | Very high | 120 Ų | 120 | 43.6 Ų | 43.6 | 52% | 0.522 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 132.8 | 171.8 | -174.6 | 175.1 | -178.2 | 177.3 | 0 | 109.7 | Q145 I147 | K137-Q145 HydrophobicContact CB-CB 4.42Å; K137-Q145 PolarHBondContact N-O 3.35Å; K137-Q145 PolarHBondContact O-N 3.33Å; K137-I147 HydrophobicContact CB-CD1 4.24Å |
| 138 | C | 93.6 | Very high | 92.4 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 22% | 0.223 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 138 | 174.4 | -54.1 | 0 | 0 | 0 | 0 | 109.2 | C186 N189 | C138-C186 HydrophobicContact CB-CB 3.56Å; C138-C186 WeakPolarHBondContact CB-SG 3.44Å; C138-C186 WeakPolarHBondContact SG-CA 3.4Å; C138-C186 WeakPolarHBondContact SG-CB 3.36Å; C138-C186 CovalentContact SG-SG 2.01Å; C138-C186 PolarHBondContact SG-SG 3.41Å; C138-N189 HydrophobicContact CB-CB 3.79Å |
| 139 | S | 87.3 | Confident | 92.5 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 24% | 0.238 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 134.3 | 173.7 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | N141 A142 D143 | S139-N141 PolarHBondContact O-N 2.8Å; S139-N141 PolarHBondContact OG-N 3.34Å; S139-A142 PolarHBondContact O-N 3.38Å; S139-A142 VanDerWaalsContact O-N 3.16Å; S139-D143 PolarHBondContact N-O 2.8Å; S139-D143 WeakPolarHBondContact O-CA 3.17Å; S139-D143 PolarHBondContact O-N 2.94Å |
| 140 | K | 85.5 | Confident | 92.5 | Very high | 137 Ų | 137 | 41.4 Ų | 41.4 | 60% | 0.596 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -21.2 | 173.1 | -65.8 | -175.1 | 177.5 | -179.7 | 0 | 113.4 | P191 | K140-P191 WeakPolarHBondContact O-CA 3.29Å; K140-P191 WeakPolarHBondContact O-CB 3.31Å; K140-P191 WeakPolarHBondContact O-CG 3.44Å |
| 141 | N | 84.3 | Confident | 92.6 | Very high | 156 Ų | 156 | 45 Ų | 45 | 83% | 0.834 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -23.6 | -178.8 | -61.7 | -16.9 | 0 | 0 | 0 | 113.7 | S139 | S139-N141 PolarHBondContact O-N 2.8Å; S139-N141 PolarHBondContact OG-N 3.34Å |
| 142 | A | 81.9 | Confident | 92.7 | Very high | 36 Ų | 36 | 48 Ų | 48 | 30% | 0.298 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 0.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114 | S139 | S139-A142 PolarHBondContact O-N 3.38Å; S139-A142 VanDerWaalsContact O-N 3.16Å |
| 143 | D | 87.9 | Confident | 92.7 | Very high | 32 Ų | 32 | 50 Ų | 50 | 17% | 0.171 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 64.6 | -166 | -174.3 | -150.7 | -16.1 | 0 | 0 | 0 | 112.1 | S139 R156 C182 P191 | S139-D143 PolarHBondContact N-O 2.8Å; S139-D143 WeakPolarHBondContact O-CA 3.17Å; S139-D143 PolarHBondContact O-N 2.94Å; D143-R156 HydrophobicContact CB-CG 4.41Å; D143-C182 WeakPolarHBondContact OD1-CB 3.36Å; D143-C182 PolarHBondContact OD1-SG 2.71Å; D143-P191 HydrophobicContact CB-CG 3.91Å |
| 144 | L | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 132.1 | 168.2 | 174.4 | 67.1 | 0 | 0 | 0 | 110.6 | F111 F136 C155 P180 C182 I185 | F111-L144 HydrophobicContact CE1-CD2 4.21Å; F136-L144 HydrophobicContact CB-CD1 4.01Å; F136-L144 HydrophobicContact CD2-CD1 4.16Å; F136-L144 HydrophobicContact CG-CD1 4.43Å; L144-C155 WeakPolarHBondContact CB-O 3.43Å; L144-C155 HydrophobicContact CD2-CB 4.3Å; L144-C155 HydrophobicContact CG-CB 4.12Å; L144-C155 CarbonylContact O-C 3.59Å; L144-C155 WeakPolarHBondContact O-CA 3.27Å; L144-C155 PolarHBondContact O-N 3.34Å; L144-P180 HydrophobicContact CD2-CG 4.12Å; L144-C182 HydrophobicContact CB-CB 4.18Å; L144-I185 HydrophobicContact CD1-CB 4.38Å; L144-I185 HydrophobicContact CD1-CD1 4.2Å; L144-I185 HydrophobicContact CD1-CG2 4.01Å; L144-I185 HydrophobicContact CD2-CD1 3.76Å |
| 145 | Q | 95.8 | Very high | 92.5 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.8 | 170.5 | -70.6 | 172 | 83 | 0 | 0 | 109.4 | F136 K137 F153 | F136-Q145 CarbonylContact C-O 3.55Å; F136-Q145 WeakPolarHBondContact CA-O 3.44Å; F136-Q145 WeakPolarHBondContact CB-O 3.24Å; K137-Q145 HydrophobicContact CB-CB 4.42Å; K137-Q145 PolarHBondContact N-O 3.35Å; K137-Q145 PolarHBondContact O-N 3.33Å; Q145-F153 CarbonylContact C-O 3.49Å; Q145-F153 VanDerWaalsContact CA-O 3.25Å; Q145-F153 WeakPolarHBondContact CA-O 3.43Å |
| 146 | V | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 139.9 | 168.4 | 62.7 | 0 | 0 | 0 | 0 | 108.7 | F111 H134 I148 S152 F153 C155 L164 I177 | F111-V146 HydrophobicContact CD1-CG2 4.45Å; F111-V146 HydrophobicContact CD2-CG2 3.87Å; F111-V146 HydrophobicContact CE1-CB 4.13Å; F111-V146 HydrophobicContact CE1-CG2 4.29Å; F111-V146 HydrophobicContact CE2-CB 4.25Å; F111-V146 HydrophobicContact CE2-CG2 3.67Å; F111-V146 HydrophobicContact CG-CG2 4.25Å; F111-V146 HydrophobicContact CZ-CB 3.94Å; F111-V146 HydrophobicContact CZ-CG2 3.9Å; H134-V146 HydrophobicContact CB-CG2 3.78Å; V146-I148 HydrophobicContact CG2-CD1 4.33Å; V146-I148 HydrophobicContact CG2-CG1 3.94Å; V146-S152 CarbonylContact O-C 3.59Å; V146-S152 WeakPolarHBondContact O-CA 3.21Å; V146-F153 HydrophobicContact CG1-CB 3.82Å; V146-F153 PolarHBondContact N-O 2.93Å; V146-F153 PolarHBondContact O-N 3.41Å; V146-C155 HydrophobicContact CB-CB 4.36Å; V146-C155 HydrophobicContact CG1-CB 4.22Å; V146-L164 HydrophobicContact CG1-CD1 4.31Å; V146-I177 HydrophobicContact CB-CD1 4.31Å; V146-I177 HydrophobicContact CG1-CD1 4.03Å; V146-I177 HydrophobicContact CG2-CD1 4.05Å |
| 147 | I | 96.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 57.8 Ų | 57.8 | 16% | 0.159 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.3 | 179 | -55.7 | 173.7 | 0 | 0 | 0 | 107.6 | K135 K137 K151 | K135-I147 HydrophobicContact CB-CB 3.82Å; K135-I147 HydrophobicContact CB-CD1 4.31Å; K135-I147 HydrophobicContact CB-CG1 4.5Å; K135-I147 HydrophobicContact CB-CG2 4.39Å; K135-I147 PolarHBondContact O-N 2.02Å; K137-I147 HydrophobicContact CB-CD1 4.24Å; I147-K151 CarbonylContact C-O 3.58Å; I147-K151 VanDerWaalsContact CA-O 3.28Å; I147-K151 WeakPolarHBondContact CA-O 3.43Å |
| 148 | I | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.3 | 179 | -52.5 | -169.8 | 0 | 0 | 0 | 108.3 | L101 V146 G150 K151 F153 L164 L166 | L101-I148 HydrophobicContact CB-CG2 3.7Å; L101-I148 HydrophobicContact CD1-CG2 3.87Å; L101-I148 HydrophobicContact CG-CG2 4.44Å; V146-I148 HydrophobicContact CG2-CD1 4.33Å; V146-I148 HydrophobicContact CG2-CG1 3.94Å; I148-G150 PolarHBondContact O-N 2.73Å; I148-K151 PolarHBondContact N-O 2.82Å; I148-K151 PolarHBondContact O-N 2.69Å; I148-F153 HydrophobicContact CB-CE2 4.2Å; I148-L164 HydrophobicContact CD1-CD1 3.46Å; I148-L164 VanDerWaalsContact CD1-CD1 3.46Å; I148-L164 HydrophobicContact CD1-CD2 4.09Å; I148-L164 HydrophobicContact CD1-CG 4.45Å; I148-L164 HydrophobicContact CG1-CD1 4.32Å; I148-L166 HydrophobicContact CB-CD1 4.45Å; I148-L166 HydrophobicContact CG2-CD1 4.01Å; I148-L166 HydrophobicContact CG2-CD2 4.36Å |
| 149 | N | 92.6 | Very high | 90.5 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 45.6 | -176.9 | -168.2 | 58.5 | 0 | 0 | 0 | 112.3 | L101 K151 L166 V168 | L101-N149 HydrophobicContact CD1-CB 4.31Å; N149-K151 PolarHBondContact O-N 2.74Å; N149-K151 VanDerWaalsContact O-N 3.17Å; N149-L166 HydrophobicContact CB-CD1 4Å; N149-V168 HydrophobicContact CB-CG2 4.18Å; N149-V168 VanDerWaalsContact ND2-CG2 3.27Å; N149-V168 WeakPolarHBondContact ND2-CG2 3.21Å |
| 150 | G | 92.6 | Very high | 90.6 | Very high | 65 Ų | 65 | 70.7 Ų | 70.7 | 67% | 0.67 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -6.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | I148 | I148-G150 PolarHBondContact O-N 2.73Š|
| 151 | K | 94.8 | Very high | 90.9 | Very high | 95 Ų | 95 | 66.1 Ų | 66.1 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 131 | 177.1 | -68.2 | 178 | 178.5 | 172.3 | 0 | 110.4 | I147 I148 N149 F153 L166 E167 | I147-K151 CarbonylContact C-O 3.58Å; I147-K151 VanDerWaalsContact CA-O 3.28Å; I147-K151 WeakPolarHBondContact CA-O 3.43Å; I148-K151 PolarHBondContact N-O 2.82Å; I148-K151 PolarHBondContact O-N 2.69Å; N149-K151 PolarHBondContact O-N 2.74Å; N149-K151 VanDerWaalsContact O-N 3.17Å; K151-F153 HydrophobicContact CB-CE2 3.69Å; K151-F153 HydrophobicContact CB-CZ 3.95Å; K151-F153 WeakPolarHBondContact O-CD2 3.48Å; K151-F153 WeakPolarHBondContact O-CE2 3.34Å; K151-L166 HydrophobicContact CD-CB 4.37Å; K151-E167 PolarHBondContact NZ-O 2.8Å |
| 152 | S | 95 | Very high | 91.3 | Very high | 61 Ų | 61 | 60.6 Ų | 60.6 | 43% | 0.427 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 133.5 | 178.3 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | V146 | V146-S152 CarbonylContact O-C 3.59Å; V146-S152 WeakPolarHBondContact O-CA 3.21Å |
| 153 | F | 95 | Very high | 92 | Very high | 43 Ų | 43 | 63.5 Ų | 63.5 | 19% | 0.189 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 134.6 | 176 | -58.7 | -91.7 | 0 | 0 | 0 | 109.7 | Q145 V146 I148 K151 C155 L164 L166 | Q145-F153 CarbonylContact C-O 3.49Å; Q145-F153 VanDerWaalsContact CA-O 3.25Å; Q145-F153 WeakPolarHBondContact CA-O 3.43Å; V146-F153 HydrophobicContact CG1-CB 3.82Å; V146-F153 PolarHBondContact N-O 2.93Å; V146-F153 PolarHBondContact O-N 3.41Å; I148-F153 HydrophobicContact CB-CE2 4.2Å; K151-F153 HydrophobicContact CB-CE2 3.69Å; K151-F153 HydrophobicContact CB-CZ 3.95Å; K151-F153 WeakPolarHBondContact O-CD2 3.48Å; K151-F153 WeakPolarHBondContact O-CE2 3.34Å; F153-C155 PolarHBondContact O-N 2.63Å; F153-L164 HydrophobicContact CB-CD1 4.06Å; F153-L164 HydrophobicContact CD1-CD1 4.08Å; F153-L164 HydrophobicContact CD1-CG 3.89Å; F153-L164 HydrophobicContact CD2-CD1 3.67Å; F153-L164 HydrophobicContact CD2-CG 4.18Å; F153-L164 HydrophobicContact CE1-CD1 4.47Å; F153-L164 HydrophobicContact CE1-CD2 4.21Å; F153-L164 HydrophobicContact CE1-CG 3.96Å; F153-L164 HydrophobicContact CE2-CD1 4.11Å; F153-L164 HydrophobicContact CE2-CD2 4.12Å; F153-L164 HydrophobicContact CE2-CG 4.25Å; F153-L164 HydrophobicContact CG-CD1 3.66Å; F153-L164 HydrophobicContact CG-CG 4.01Å; F153-L164 HydrophobicContact CZ-CD1 4.49Å; F153-L164 HydrophobicContact CZ-CD2 3.97Å; F153-L164 HydrophobicContact CZ-CG 4.14Å; F153-L166 HydrophobicContact CZ-CB 4.09Å |
| 154 | P | 93.4 | Very high | 92.3 | Very high | 80 Ų | 80 | 62.1 Ų | 62.1 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 129.9 | 172.4 | -21.3 | 32.6 | 0 | 0 | 0 | 110.5 | ||
| 155 | C | 93.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.007 | 37% | 0.371 | C | S | . | . | trans | -125.9 | 85.7 | -179.3 | -168.2 | 0 | 0 | 0 | 0 | 110.1 | L144 V146 F153 C179 | L144-C155 WeakPolarHBondContact CB-O 3.43Å; L144-C155 HydrophobicContact CD2-CB 4.3Å; L144-C155 HydrophobicContact CG-CB 4.12Å; L144-C155 CarbonylContact O-C 3.59Å; L144-C155 WeakPolarHBondContact O-CA 3.27Å; L144-C155 PolarHBondContact O-N 3.34Å; V146-C155 HydrophobicContact CB-CB 4.36Å; V146-C155 HydrophobicContact CG1-CB 4.22Å; F153-C155 PolarHBondContact O-N 2.63Å; C155-C179 WeakPolarHBondContact CA-SG 3.47Å; C155-C179 HydrophobicContact CB-CB 4.08Å; C155-C179 WeakPolarHBondContact CB-SG 3.45Å; C155-C179 WeakPolarHBondContact SG-CA 3.38Å; C155-C179 WeakPolarHBondContact SG-CB 3.5Å; C155-C179 CovalentContact SG-SG 2.04Å; C155-C179 PolarHBondContact SG-SG 3.09Å | ||
| 156 | R | 90.1 | Very high | 92.4 | Very high | 119 Ų | 119 | 67.4 Ų | 67.4 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | trans | -102.1 | 132.2 | -178.7 | -59 | -170.3 | -175.8 | 153.5 | 1.8 | 110 | D143 R158 C179 | D143-R156 HydrophobicContact CB-CG 4.41Å; R156-R158 PolarHBondContact O-N 3.11Å; R156-C179 WeakPolarHBondContact O-CB 3.43Å | ||
| 157 | S | 84.8 | Confident | 92.3 | Very high | 66 Ų | 66 | 72.8 Ų | 72.8 | 46% | 0.462 | 39% | 0.391 | S | S | . | . | trans | -62.2 | 121.1 | 175.5 | -161.8 | 0 | 0 | 0 | 0 | 110.5 | C179 P180 | S157-C179 WeakPolarHBondContact CA-O 2.99Å; S157-C179 WeakPolarHBondContact CB-O 3.49Å; S157-C179 PolarHBondContact OG-O 2.9Å; S157-P180 WeakPolarHBondContact CB-O 3.48Å | ||
| 158 | R | 81.6 | Confident | 92.1 | Very high | 159 Ų | 159 | 71.9 Ų | 71.9 | 60% | 0.6 | 39% | 0.387 | S | S | * | . | trans | -141 | 160.5 | -178.6 | -66.6 | 177 | -169.2 | -130.9 | 5.8 | 108.3 | R156 E160 | R156-R158 PolarHBondContact O-N 3.11Å; R158-E160 WeakPolarHBondContact CB-O 3.06Å; R158-E160 PolarHBondContact O-N 3.46Å | ||
| 159 | T | 82.6 | Confident | 91.9 | Very high | 151 Ų | 151 | 78.5 Ų | 78.5 | 93% | 0.926 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -63.8 | -30.6 | 171.6 | 38.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 160 | E | 88 | Confident | 91.8 | Very high | 149 Ų | 149 | 81.7 Ų | 81.7 | 70% | 0.696 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -102.4 | 142.2 | 177.5 | -64.8 | -179.3 | 175.5 | 0 | 0 | 110.4 | R158 | R158-E160 WeakPolarHBondContact CB-O 3.06Å; R158-E160 PolarHBondContact O-N 3.46Å |
| 161 | P | 93.1 | Very high | 91.8 | Very high | 41 Ų | 41 | 79.6 Ų | 79.6 | 27% | 0.266 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 156.6 | 174.4 | 31 | -35.1 | 0 | 0 | 0 | 111 | P163 D176 I177 Y178 | P161-P163 WeakPolarHBondContact O-CD 3.31Å; P161-D176 HydrophobicContact CB-CB 3.9Å; P161-D176 HydrophobicContact CG-CB 3.99Å; P161-I177 WeakPolarHBondContact CA-O 3.07Å; P161-I177 WeakPolarHBondContact CB-O 3.41Å; P161-Y178 HydrophobicContact CB-CD1 3.84Å; P161-Y178 HydrophobicContact CB-CE1 3.7Å; P161-Y178 HydrophobicContact CB-CE2 4.49Å; P161-Y178 HydrophobicContact CB-CG 4.31Å; P161-Y178 HydrophobicContact CG-CE1 3.92Å |
| 162 | T | 92.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 78.7 Ų | 78.7 | 25% | 0.245 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 120.9 | 177.6 | -60 | 0 | 0 | 0 | 0 | 109.6 | L164 I177 | T162-L164 PolarHBondContact O-N 3.13Å; T162-I177 PolarHBondContact N-O 2.8Å; T162-I177 WeakPolarHBondContact O-CG2 3.44Å; T162-I177 PolarHBondContact O-N 3.43Å |
| 163 | P | 95.2 | Very high | 91.9 | Very high | 96 Ų | 96 | 75.8 Ų | 75.8 | 62% | 0.623 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 129.4 | 173.7 | -21.5 | 33.7 | 0 | 0 | 0 | 110.6 | P161 | P161-P163 WeakPolarHBondContact O-CD 3.31Å |
| 164 | L | 95.7 | Very high | 92 | Very high | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.7 | 178 | -167.8 | 155 | 0 | 0 | 0 | 108.8 | V146 I148 F153 T162 L166 S174 T175 | V146-L164 HydrophobicContact CG1-CD1 4.31Å; I148-L164 HydrophobicContact CD1-CD1 3.46Å; I148-L164 VanDerWaalsContact CD1-CD1 3.46Å; I148-L164 HydrophobicContact CD1-CD2 4.09Å; I148-L164 HydrophobicContact CD1-CG 4.45Å; I148-L164 HydrophobicContact CG1-CD1 4.32Å; F153-L164 HydrophobicContact CB-CD1 4.06Å; F153-L164 HydrophobicContact CD1-CD1 4.08Å; F153-L164 HydrophobicContact CD1-CG 3.89Å; F153-L164 HydrophobicContact CD2-CD1 3.67Å; F153-L164 HydrophobicContact CD2-CG 4.18Å; F153-L164 HydrophobicContact CE1-CD1 4.47Å; F153-L164 HydrophobicContact CE1-CD2 4.21Å; F153-L164 HydrophobicContact CE1-CG 3.96Å; F153-L164 HydrophobicContact CE2-CD1 4.11Å; F153-L164 HydrophobicContact CE2-CD2 4.12Å; F153-L164 HydrophobicContact CE2-CG 4.25Å; F153-L164 HydrophobicContact CG-CD1 3.66Å; F153-L164 HydrophobicContact CG-CG 4.01Å; F153-L164 HydrophobicContact CZ-CD1 4.49Å; F153-L164 HydrophobicContact CZ-CD2 3.97Å; F153-L164 HydrophobicContact CZ-CG 4.14Å; T162-L164 PolarHBondContact O-N 3.13Å; L164-L166 HydrophobicContact CD2-CD2 3.52Å; L164-S174 WeakPolarHBondContact O-CA 3.21Å; L164-T175 HydrophobicContact CB-CG2 4.37Å; L164-T175 PolarHBondContact N-O 3.3Å; L164-T175 PolarHBondContact O-N 3.19Å |
| 165 | K | 96.4 | Very high | 92.2 | Very high | 136 Ų | 136 | 71.5 Ų | 71.5 | 59% | 0.591 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137.5 | 172.4 | -60.6 | -167.6 | 177.7 | -172.1 | 0 | 110.5 | F173 | K165-F173 CarbonylContact C-O 3.59Å; K165-F173 VanDerWaalsContact CA-O 3.31Å; K165-F173 WeakPolarHBondContact CA-O 3.45Å |
| 166 | L | 95.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 75 Ų | 75 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 151.1 | 172.4 | 74.7 | 162.9 | 0 | 0 | 0 | 111.5 | L101 I148 N149 K151 F153 L164 V168 F173 | L101-L166 HydrophobicContact CD1-CD1 3.85Å; L101-L166 HydrophobicContact CD1-CD2 4.06Å; L101-L166 HydrophobicContact CD1-CG 4.23Å; I148-L166 HydrophobicContact CB-CD1 4.45Å; I148-L166 HydrophobicContact CG2-CD1 4.01Å; I148-L166 HydrophobicContact CG2-CD2 4.36Å; N149-L166 HydrophobicContact CB-CD1 4Å; K151-L166 HydrophobicContact CD-CB 4.37Å; F153-L166 HydrophobicContact CZ-CB 4.09Å; L164-L166 HydrophobicContact CD2-CD2 3.52Å; L166-V168 HydrophobicContact CD1-CG2 3.87Å; L166-V168 HydrophobicContact CG-CG2 4.19Å; L166-F173 HydrophobicContact CD2-CB 3.57Å; L166-F173 HydrophobicContact CG-CB 4.18Å; L166-F173 PolarHBondContact N-O 3.31Å; L166-F173 PolarHBondContact O-N 2.92Å |
| 167 | E | 94.4 | Very high | 92.5 | Very high | 114 Ų | 114 | 69.5 Ų | 69.5 | 53% | 0.533 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 134.1 | 169.8 | -164.2 | -176.8 | 119 | 0 | 0 | 110.4 | K151 N170 V171 | K151-E167 PolarHBondContact NZ-O 2.8Å; E167-N170 WeakPolarHBondContact OE1-CA 3.42Å; E167-V171 WeakPolarHBondContact CA-O 3.49Å |
| 168 | V | 92.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 72 Ų | 72 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 120 | 173.8 | -172.3 | 0 | 0 | 0 | 0 | 107.9 | L95 L101 N149 L166 N170 V171 F173 | L95-V168 HydrophobicContact CD1-CG1 4.5Å; L95-V168 HydrophobicContact CD2-CB 4.32Å; L95-V168 HydrophobicContact CD2-CG1 3.92Å; L101-V168 HydrophobicContact CD1-CG2 3.98Å; L101-V168 HydrophobicContact CD2-CG2 4.47Å; N149-V168 HydrophobicContact CB-CG2 4.18Å; N149-V168 VanDerWaalsContact ND2-CG2 3.27Å; N149-V168 WeakPolarHBondContact ND2-CG2 3.21Å; L166-V168 HydrophobicContact CD1-CG2 3.87Å; L166-V168 HydrophobicContact CG-CG2 4.19Å; V168-N170 VanDerWaalsContact C-N 3.34Å; V168-N170 PolarHBondContact O-N 2.98Å; V168-V171 PolarHBondContact N-O 3.12Å; V168-V171 WeakPolarHBondContact O-CB 3.24Å; V168-V171 PolarHBondContact O-N 3.07Å; V168-F173 HydrophobicContact CB-CD2 4.27Å; V168-F173 HydrophobicContact CB-CE2 4.05Å; V168-F173 HydrophobicContact CG2-CD2 4.16Å; V168-F173 HydrophobicContact CG2-CE2 4.35Å |
| 169 | Q | 89.6 | Confident | 93.5 | Very high | 140 Ų | 140 | 65.1 Ų | 65.1 | 65% | 0.654 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 44.1 | 178 | -60 | 176.7 | -22.1 | 0 | 0 | 114 | L95 V171 | L95-Q169 HydrophobicContact CD1-CB 4.3Å; Q169-V171 PolarHBondContact O-N 2.86Å |
| 170 | N | 91 | Very high | 93.9 | Very high | 135 Ų | 135 | 59 Ų | 59 | 72% | 0.722 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 21.1 | -175.2 | -50.8 | -62.8 | 0 | 0 | 0 | 114.7 | E167 V168 | E167-N170 WeakPolarHBondContact OE1-CA 3.42Å; V168-N170 VanDerWaalsContact C-N 3.34Å; V168-N170 PolarHBondContact O-N 2.98Å |
| 171 | V | 93.2 | Very high | 94 | Very high | 20 Ų | 20 | 58 Ų | 58 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.2 | 174.2 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | L95 R118 N120 E167 V168 Q169 F173 | L95-V171 HydrophobicContact CD1-CB 4.09Å; L95-V171 HydrophobicContact CD1-CG2 4.04Å; R118-V171 HydrophobicContact CG-CG1 3.31Å; N120-V171 HydrophobicContact CB-CG2 4.41Å; E167-V171 WeakPolarHBondContact CA-O 3.49Å; V168-V171 PolarHBondContact N-O 3.12Å; V168-V171 WeakPolarHBondContact O-CB 3.24Å; V168-V171 PolarHBondContact O-N 3.07Å; Q169-V171 PolarHBondContact O-N 2.86Å; V171-F173 HydrophobicContact CB-CE2 3.96Å; V171-F173 HydrophobicContact CG1-CD2 4.35Å; V171-F173 HydrophobicContact CG1-CE2 3.74Å; V171-F173 HydrophobicContact CG1-CZ 4.14Å; V171-F173 WeakPolarHBondContact O-CD2 3.26Å |
| 172 | E | 95.5 | Very high | 94 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 36% | 0.36 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 133.3 | 174.9 | -173.2 | -179.1 | 87.2 | 0 | 0 | 109.8 | R118 Q119 | R118-E172 CarbonylContact C-O 3.59Å; R118-E172 WeakPolarHBondContact CA-O 3.35Å; Q119-E172 PolarHBondContact N-O 3.2Å; Q119-E172 PolarHBondContact O-N 3.45Å |
| 173 | F | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.2 | 170.4 | -71 | -97.3 | 0 | 0 | 0 | 108.6 | L95 L101 F116 V117 R118 K165 L166 V168 V171 | L95-F173 HydrophobicContact CD1-CE2 3.91Å; L95-F173 HydrophobicContact CD1-CZ 3.95Å; L95-F173 HydrophobicContact CD2-CE2 3.9Å; L95-F173 HydrophobicContact CD2-CZ 3.63Å; L95-F173 HydrophobicContact CG-CZ 4.23Å; L101-F173 HydrophobicContact CD1-CB 4.21Å; L101-F173 HydrophobicContact CD1-CD1 4.01Å; L101-F173 HydrophobicContact CD1-CD2 4.09Å; L101-F173 HydrophobicContact CD1-CE1 4.43Å; L101-F173 HydrophobicContact CD1-CG 3.84Å; L101-F173 HydrophobicContact CD2-CE1 4.4Å; L101-F173 HydrophobicContact CD2-CZ 4.29Å; L101-F173 HydrophobicContact CG-CD1 4.27Å; L101-F173 HydrophobicContact CG-CE1 4.3Å; F116-F173 HydrophobicContact CD1-CD1 4.38Å; V117-F173 CarbonylContact O-C 3.6Å; V117-F173 WeakPolarHBondContact O-CA 3.1Å; R118-F173 HydrophobicContact CB-CD1 4.35Å; R118-F173 HydrophobicContact CB-CE1 4.07Å; R118-F173 HydrophobicContact CG-CD1 4.49Å; R118-F173 HydrophobicContact CG-CE1 3.91Å; R118-F173 HydrophobicContact CG-CE2 4.47Å; R118-F173 HydrophobicContact CG-CZ 3.88Å; K165-F173 CarbonylContact C-O 3.59Å; K165-F173 VanDerWaalsContact CA-O 3.31Å; K165-F173 WeakPolarHBondContact CA-O 3.45Å; L166-F173 HydrophobicContact CD2-CB 3.57Å; L166-F173 HydrophobicContact CG-CB 4.18Å; L166-F173 PolarHBondContact N-O 3.31Å; L166-F173 PolarHBondContact O-N 2.92Å; V168-F173 HydrophobicContact CB-CD2 4.27Å; V168-F173 HydrophobicContact CB-CE2 4.05Å; V168-F173 HydrophobicContact CG2-CD2 4.16Å; V168-F173 HydrophobicContact CG2-CE2 4.35Å; V171-F173 HydrophobicContact CB-CE2 3.96Å; V171-F173 HydrophobicContact CG1-CD2 4.35Å; V171-F173 HydrophobicContact CG1-CE2 3.74Å; V171-F173 HydrophobicContact CG1-CZ 4.14Å; V171-F173 WeakPolarHBondContact O-CD2 3.26Å |
| 174 | S | 96.9 | Very high | 93.6 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 18% | 0.175 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 146.3 | 174.9 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | V117 L164 | V117-S174 PolarHBondContact N-O 3.1Å; V117-S174 PolarHBondContact O-N 3.33Å; L164-S174 WeakPolarHBondContact O-CA 3.21Å |
| 175 | T | 96.4 | Very high | 93.3 | Very high | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 169 | 173.8 | -167 | 0 | 0 | 0 | 0 | 110 | H113 G114 F116 L164 | H113-T175 HydrophobicContact CB-CG2 4.26Å; G114-T175 PolarHBondContact O-OG1 2.88Å; F116-T175 HydrophobicContact CD2-CG2 4.23Å; F116-T175 HydrophobicContact CE1-CG2 4.11Å; F116-T175 HydrophobicContact CE2-CG2 3.82Å; F116-T175 HydrophobicContact CZ-CG2 3.76Å; L164-T175 HydrophobicContact CB-CG2 4.37Å; L164-T175 PolarHBondContact N-O 3.3Å; L164-T175 PolarHBondContact O-N 3.19Å |
| 176 | D | 95.8 | Very high | 93.1 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 107.8 | 172.2 | -67.1 | -39.1 | 0 | 0 | 0 | 108.6 | H113 G114 P161 | H113-D176 CarbonylContact C-O 3.58Å; H113-D176 VanDerWaalsContact CA-O 3.22Å; H113-D176 WeakPolarHBondContact CA-O 3.36Å; G114-D176 PolarHBondContact N-O 3.19Å; P161-D176 HydrophobicContact CB-CB 3.9Å; P161-D176 HydrophobicContact CG-CB 3.99Å |
| 177 | I | 95.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 132.8 | -175.7 | -169.4 | 155.6 | 0 | 0 | 0 | 111.7 | F111 V146 P161 T162 | F111-I177 HydrophobicContact CB-CD1 3.76Å; F111-I177 HydrophobicContact CB-CG1 4.23Å; F111-I177 HydrophobicContact CD1-CD1 3.98Å; F111-I177 HydrophobicContact CD1-CG1 4.48Å; F111-I177 HydrophobicContact CG-CD1 3.96Å; V146-I177 HydrophobicContact CB-CD1 4.31Å; V146-I177 HydrophobicContact CG1-CD1 4.03Å; V146-I177 HydrophobicContact CG2-CD1 4.05Å; P161-I177 WeakPolarHBondContact CA-O 3.07Å; P161-I177 WeakPolarHBondContact CB-O 3.41Å; T162-I177 PolarHBondContact N-O 2.8Å; T162-I177 WeakPolarHBondContact O-CG2 3.44Å; T162-I177 PolarHBondContact O-N 3.43Å |
| 178 | Y | 94.1 | Very high | 92.1 | Very high | 120 Ų | 120 | 60.1 Ų | 60.1 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 103.6 | 173.4 | -62.5 | -84.9 | 0 | 0 | 0 | 108.9 | D112 P161 P180 | D112-Y178 HydrophobicContact CB-CD2 4.31Å; D112-Y178 PolarHBondContact O-N 2.86Å; P161-Y178 HydrophobicContact CB-CD1 3.84Å; P161-Y178 HydrophobicContact CB-CE1 3.7Å; P161-Y178 HydrophobicContact CB-CE2 4.49Å; P161-Y178 HydrophobicContact CB-CG 4.31Å; P161-Y178 HydrophobicContact CG-CE1 3.92Å; Y178-P180 WeakPolarHBondContact O-CD 3.09Å |
| 179 | C | 93.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 9% | 0.088 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 122.3 | -177.1 | -71.3 | 0 | 0 | 0 | 0 | 111.4 | C155 R156 S157 | C155-C179 WeakPolarHBondContact CA-SG 3.47Å; C155-C179 HydrophobicContact CB-CB 4.08Å; C155-C179 WeakPolarHBondContact CB-SG 3.45Å; C155-C179 WeakPolarHBondContact SG-CA 3.38Å; C155-C179 WeakPolarHBondContact SG-CB 3.5Å; C155-C179 CovalentContact SG-SG 2.04Å; C155-C179 PolarHBondContact SG-SG 3.09Å; R156-C179 WeakPolarHBondContact O-CB 3.43Å; S157-C179 WeakPolarHBondContact CA-O 2.99Å; S157-C179 WeakPolarHBondContact CB-O 3.49Å; S157-C179 PolarHBondContact OG-O 2.9Å |
| 180 | P | 91.4 | Very high | 91.8 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 14% | 0.143 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 170.3 | 174.2 | 32.8 | -36 | 0 | 0 | 0 | 110.2 | L144 S157 Y178 C182 I185 | L144-P180 HydrophobicContact CD2-CG 4.12Å; S157-P180 WeakPolarHBondContact CB-O 3.48Å; Y178-P180 WeakPolarHBondContact O-CD 3.09Å; P180-C182 PolarHBondContact O-N 3.12Å; P180-I185 HydrophobicContact CB-CD1 4.5Å; P180-I185 HydrophobicContact CG-CD1 3.34Å; P180-I185 HydrophobicContact CG-CG1 4.18Å |
| 181 | Q | 90.3 | Very high | 91.5 | Very high | 128 Ų | 128 | 53.5 Ų | 53.5 | 60% | 0.598 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 136.3 | 171.9 | -67.2 | -175.7 | -7.3 | 0 | 0 | 109.5 | Q183 S184 | Q181-Q183 PolarHBondContact O-N 3.04Å; Q181-Q183 VanDerWaalsContact O-N 3.17Å; Q181-S184 PolarHBondContact O-N 3.15Å; Q181-S184 PolarHBondContact O-OG 2.76Å |
| 182 | C | 92.1 | Very high | 90.6 | Very high | 8 Ų | 8 | 67.8 Ų | 67.8 | 5% | 0.054 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -54.2 | -41.9 | -179.3 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | D143 L144 P180 S184 I185 C186 C190 | D143-C182 WeakPolarHBondContact OD1-CB 3.36Å; D143-C182 PolarHBondContact OD1-SG 2.71Å; L144-C182 HydrophobicContact CB-CB 4.18Å; P180-C182 PolarHBondContact O-N 3.12Å; C182-S184 PolarHBondContact O-N 3.28Å; C182-I185 PolarHBondContact O-N 3.11Å; C182-C186 WeakPolarHBondContact O-CB 3.29Å; C182-C186 PolarHBondContact O-N 3.29Å; C182-C186 VanDerWaalsContact SG-SG 3.69Å; C182-C190 HydrophobicContact CB-CB 3.88Å; C182-C190 WeakPolarHBondContact CB-SG 3.5Å; C182-C190 VanDerWaalsContact SG-CA 3.53Å; C182-C190 WeakPolarHBondContact SG-CB 3.33Å; C182-C190 CovalentContact SG-SG 2.03Å; C182-C190 PolarHBondContact SG-SG 2.92Å |
| 183 | Q | 90.2 | Very high | 90.3 | Very high | 104 Ų | 104 | 67.3 Ų | 67.3 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.8 | -28.6 | -178.4 | -66.6 | 79.2 | 0.9 | 0 | 0 | 112.8 | Q181 I185 N187 C190 | Q181-Q183 PolarHBondContact O-N 3.04Å; Q181-Q183 VanDerWaalsContact O-N 3.17Å; Q183-I185 PolarHBondContact O-N 3.16Å; Q183-N187 WeakPolarHBondContact O-CA 3.44Å; Q183-N187 PolarHBondContact O-N 2.91Å; Q183-N187 VanDerWaalsContact O-N 3.11Å; Q183-C190 PolarHBondContact N-SG 3.47Å; Q183-C190 VanDerWaalsContact N-SG 3.36Å |
| 184 | S | 89 | Confident | 90 | Very high | 60 Ų | 60 | 70.8 Ų | 70.8 | 42% | 0.42 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -72.2 | -17.7 | 179.4 | 76.1 | 0 | 0 | 0 | 0 | 113.3 | Q181 C182 | Q181-S184 PolarHBondContact O-N 3.15Å; Q181-S184 PolarHBondContact O-OG 2.76Å; C182-S184 PolarHBondContact O-N 3.28Å |
| 185 | I | 91 | Very high | 89.6 | Confident | 11 Ų | 11 | 73.4 Ų | 73.4 | 6% | 0.056 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -111.4 | -43.3 | 177 | -69.5 | 172.2 | 0 | 0 | 0 | 111.2 | T109 F111 F136 L144 P180 C182 Q183 | T109-I185 HydrophobicContact CG2-CD1 3.71Å; T109-I185 HydrophobicContact CG2-CG1 4.26Å; T109-I185 HydrophobicContact CG2-CG2 4.28Å; F111-I185 HydrophobicContact CE1-CD1 4.08Å; F111-I185 HydrophobicContact CZ-CD1 4.21Å; F136-I185 HydrophobicContact CD1-CG2 4.21Å; F136-I185 HydrophobicContact CD2-CG2 3.34Å; F136-I185 HydrophobicContact CE1-CG2 4.15Å; F136-I185 HydrophobicContact CE2-CG2 3.27Å; F136-I185 HydrophobicContact CG-CG2 3.84Å; F136-I185 HydrophobicContact CZ-CG2 3.7Å; L144-I185 HydrophobicContact CD1-CB 4.38Å; L144-I185 HydrophobicContact CD1-CD1 4.2Å; L144-I185 HydrophobicContact CD1-CG2 4.01Å; L144-I185 HydrophobicContact CD2-CD1 3.76Å; P180-I185 HydrophobicContact CB-CD1 4.5Å; P180-I185 HydrophobicContact CG-CD1 3.34Å; P180-I185 HydrophobicContact CG-CG1 4.18Å; C182-I185 PolarHBondContact O-N 3.11Å; Q183-I185 PolarHBondContact O-N 3.16Å |
| 186 | C | 90.9 | Very high | 89.2 | Confident | 6 Ų | 6 | 77.2 Ų | 77.2 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -99.7 | -4.9 | -167.1 | -62.5 | 0 | 0 | 0 | 0 | 113.9 | C138 C182 E188 N189 | C138-C186 HydrophobicContact CB-CB 3.56Å; C138-C186 WeakPolarHBondContact CB-SG 3.44Å; C138-C186 WeakPolarHBondContact SG-CA 3.4Å; C138-C186 WeakPolarHBondContact SG-CB 3.36Å; C138-C186 CovalentContact SG-SG 2.01Å; C138-C186 PolarHBondContact SG-SG 3.41Å; C182-C186 WeakPolarHBondContact O-CB 3.29Å; C182-C186 PolarHBondContact O-N 3.29Å; C182-C186 VanDerWaalsContact SG-SG 3.69Å; C186-E188 PolarHBondContact O-N 3.27Å; C186-N189 HydrophobicContact CB-CB 4.28Å; C186-N189 WeakPolarHBondContact O-CB 3.49Å; C186-N189 PolarHBondContact O-N 3.14Å |
| 187 | N | 85.8 | Confident | 88.8 | Confident | 121 Ų | 121 | 77.5 Ų | 77.5 | 65% | 0.647 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | -112.5 | -172.6 | -58 | -29.5 | 0 | 0 | 0 | 110.5 | Q183 | Q183-N187 WeakPolarHBondContact O-CA 3.44Å; Q183-N187 PolarHBondContact O-N 2.91Å; Q183-N187 VanDerWaalsContact O-N 3.11Å |
| 188 | E | 83.9 | Confident | 88.4 | Confident | 176 Ų | 176 | 82.4 Ų | 82.4 | 82% | 0.822 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -3.5 | -177.7 | -58.5 | -174.6 | 174.7 | 0 | 0 | 114.5 | C186 C190 | C186-E188 PolarHBondContact O-N 3.27Å; E188-C190 PolarHBondContact O-N 2.92Å |
| 189 | N | 87 | Confident | 88 | Confident | 89 Ų | 89 | 79.7 Ų | 79.7 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | trans | -85.9 | 41.8 | -178.4 | -70.8 | -39.1 | 0 | 0 | 0 | 113.2 | C138 C186 | C138-N189 HydrophobicContact CB-CB 3.79Å; C186-N189 HydrophobicContact CB-CB 4.28Å; C186-N189 WeakPolarHBondContact O-CB 3.49Å; C186-N189 PolarHBondContact O-N 3.14Å | ||
| 190 | C | 87.5 | Confident | 87.6 | Confident | 12 Ų | 12 | 84.8 Ų | 84.8 | 8% | 0.081 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -114.4 | 152.4 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | C182 Q183 E188 | C182-C190 HydrophobicContact CB-CB 3.88Å; C182-C190 WeakPolarHBondContact CB-SG 3.5Å; C182-C190 VanDerWaalsContact SG-CA 3.53Å; C182-C190 WeakPolarHBondContact SG-CB 3.33Å; C182-C190 CovalentContact SG-SG 2.03Å; C182-C190 PolarHBondContact SG-SG 2.92Å; Q183-C190 PolarHBondContact N-SG 3.47Å; Q183-C190 VanDerWaalsContact N-SG 3.36Å; E188-C190 PolarHBondContact O-N 2.92Å |
| 191 | P | 84.6 | Confident | 87.2 | Confident | 46 Ų | 46 | 90.1 Ų | 90.1 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | trans | -54.1 | 142.9 | 164.9 | -20.1 | 30.2 | 0 | 0 | 0 | 110 | K140 D143 | K140-P191 WeakPolarHBondContact O-CA 3.29Å; K140-P191 WeakPolarHBondContact O-CB 3.31Å; K140-P191 WeakPolarHBondContact O-CG 3.44Å; D143-P191 HydrophobicContact CB-CG 3.91Å | ||
| 192 | R | 74.6 | Confident | 87 | Confident | 320 Ų | 320 | 86.6 Ų | 86.6 | 100% | 1.208 | 42% | 0.417 | S | S | * | . | trans | -75.8 | 0 | 173.3 | -77.4 | -174.4 | 178.1 | 157.1 | -2.1 | 111.2 |
Retrieved 192 of 192 residues in 173.6 ms
(Link to these results)