| 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 | 34.9 | Very low | 62 | Low | 240 Ų | 240 | 143 Ų | 143 | 100% | 1.182 | 67% | 0.673 | S | S | * | * | 0 | 102 | 0 | -70.7 | -169.1 | 178.8 | 0 | 0 | 108.8 | R3 | M1-R3 PolarHBondContact O-N 3.46Š| |||
| 2 | L | 39.6 | Very low | 64.7 | Low | 176 Ų | 176 | 131.6 Ų | 131.6 | 92% | 0.921 | 62% | 0.619 | S | S | * | * | trans | -67.3 | 102.6 | 169.2 | -71.9 | 157.1 | 0 | 0 | 0 | 106 | N4 | L2-N4 PolarHBondContact O-N 3.22Š| ||
| 3 | R | 45.4 | Very low | 67.3 | Low | 232 Ų | 232 | 121.5 Ų | 121.5 | 88% | 0.875 | 57% | 0.572 | S | S | * | * | trans | -51.3 | 119.2 | 167.5 | -86.8 | -179.2 | 173.8 | 175.4 | -1.9 | 105.5 | M1 R5 | M1-R3 PolarHBondContact O-N 3.46Å; R3-R5 PolarHBondContact O-N 3.4Å | ||
| 4 | N | 44.6 | Very low | 69.4 | Low | 159 Ų | 159 | 112.9 Ų | 112.9 | 85% | 0.85 | 53% | 0.531 | S | S | * | . | trans | -50.4 | 94.3 | 164.7 | -88.5 | -14.2 | 0 | 0 | 0 | 106.4 | L2 K6 | L2-N4 PolarHBondContact O-N 3.22Å; N4-K6 VanDerWaalsContact C-N 3.32Å; N4-K6 PolarHBondContact O-N 3.49Å | ||
| 5 | R | 49.7 | Very low | 71.3 | Confident | 233 Ų | 233 | 105.3 Ų | 105.3 | 88% | 0.879 | 50% | 0.496 | S | S | * | . | trans | -61.8 | 106.5 | 167.6 | -90.5 | -177.9 | 168.3 | 169.9 | -3.8 | 102.9 | R3 V7 | R3-R5 PolarHBondContact O-N 3.4Å; R5-V7 PolarHBondContact O-N 2.89Å | ||
| 6 | K | 56 | Low | 72.8 | Confident | 185 Ų | 185 | 98.8 Ų | 98.8 | 80% | 0.804 | 47% | 0.465 | S | S | * | . | trans | -51 | 114.2 | 164.8 | -77 | -173.7 | 175.6 | -175.8 | 0 | 104.9 | N4 L8 | N4-K6 VanDerWaalsContact C-N 3.32Å; N4-K6 PolarHBondContact O-N 3.49Å; K6-L8 PolarHBondContact O-N 3.1Å | ||
| 7 | V | 64.9 | Low | 74.2 | Confident | 140 Ų | 140 | 93.2 Ų | 93.2 | 85% | 0.848 | 44% | 0.44 | S | S | * | . | trans | -61.6 | 112 | 173.2 | 178.8 | 0 | 0 | 0 | 0 | 104.6 | R5 | R5-V7 PolarHBondContact O-N 2.89Š| ||
| 8 | L | 73.6 | Confident | 75.4 | Confident | 43 Ų | 43 | 88.9 Ų | 88.9 | 23% | 0.225 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -69 | 142.1 | 178.7 | -64.6 | 177.9 | 0 | 0 | 0 | 108 | K6 E10 E57 M59 | K6-L8 PolarHBondContact O-N 3.1Å; L8-E10 PolarHBondContact O-N 3.32Å; L8-E10 VanDerWaalsContact O-N 3.17Å; L8-E57 HydrophobicContact CD2-CB 3.42Å; L8-E57 VanDerWaalsContact CD2-CB 3.42Å; L8-E57 WeakPolarHBondContact CD2-O 3.45Å; L8-M59 HydrophobicContact CB-CB 4.4Å; L8-M59 HydrophobicContact CD1-CE 3.88Å |
| 9 | N | 87.1 | Confident | 76.3 | Confident | 67 Ų | 67 | 88.5 Ų | 88.5 | 36% | 0.358 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 118.2 | 171.6 | -74.1 | -35.1 | 0 | 0 | 0 | 108.6 | C58 M59 L174 | N9-C58 HydrophobicContact CB-CB 4.49Å; N9-C58 CarbonylContact O-C 3.47Å; N9-C58 VanDerWaalsContact O-CA 3.27Å; N9-C58 WeakPolarHBondContact O-CA 3.45Å; N9-M59 PolarHBondContact O-N 3.15Å; N9-L174 HydrophobicContact CB-CD2 3.8Å |
| 10 | E | 92.1 | Very high | 77.1 | Confident | 98 Ų | 98 | 86.9 Ų | 86.9 | 46% | 0.458 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.9 | 176.6 | -56.9 | -169.9 | 161 | 0 | 0 | 110.2 | L8 H12 M59 R177 | L8-E10 PolarHBondContact O-N 3.32Å; L8-E10 VanDerWaalsContact O-N 3.17Å; E10-H12 IonicContact OE2-CE1 3.77Å; E10-M59 WeakPolarHBondContact CA-O 3.43Å; E10-M59 HydrophobicContact CG-CB 4.41Å; E10-R177 PolarHBondContact O-NH1 3.41Å; E10-R177 PolarHBondContact O-NH2 2.83Å |
| 11 | I | 93.8 | Very high | 78 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.4 | 174.6 | -55.2 | -170 | 0 | 0 | 0 | 108.6 | I13 M59 L60 W61 D81 I82 T170 L174 | I11-I13 HydrophobicContact CG2-CG1 4.18Å; I11-M59 PolarHBondContact N-O 3.18Å; I11-L60 HydrophobicContact CB-CD2 3.75Å; I11-L60 HydrophobicContact CG1-CD2 4.44Å; I11-L60 HydrophobicContact CG2-CD2 4.34Å; I11-L60 WeakPolarHBondContact O-CA 3.23Å; I11-W61 PolarHBondContact O-N 3.08Å; I11-D81 HydrophobicContact CG2-CB 4.22Å; I11-I82 HydrophobicContact CG2-CD1 3.61Å; I11-I82 HydrophobicContact CG2-CG1 4.04Å; I11-T170 HydrophobicContact CD1-CG2 3.54Å; I11-L174 HydrophobicContact CD1-CD1 4.4Å; I11-L174 HydrophobicContact CD1-CD2 3.75Å; I11-L174 HydrophobicContact CD1-CG 3.77Å; I11-L174 HydrophobicContact CG1-CD2 4.37Å |
| 12 | H | 95.1 | Very high | 80.9 | Confident | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.028 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.2 | -174.7 | -57.8 | 82.2 | 0 | 0 | 0 | 110 | E10 W61 W79 D81 I82 R218 | E10-H12 IonicContact OE2-CE1 3.77Å; H12-W61 CarbonylContact C-O 3.59Å; H12-W61 WeakPolarHBondContact CA-O 3.35Å; H12-W61 HydrophobicContact CB-CB 4.36Å; H12-W61 WeakPolarHBondContact CD2-CB 3.28Å; H12-W61 AromaticContact CD2-CD1 3.36Å; H12-W61 AromaticContact CD2-CG 3.28Å; H12-W61 AromaticContact CE1-CD1 3.6Å; H12-W61 AromaticContact NE2-CD1 3.1Å; H12-W61 AromaticContact NE2-CG 3.43Å; H12-W61 AromaticContact NE2-NE1 3.5Å; H12-W79 HydrophobicContact CB-CD2 4.33Å; H12-W79 HydrophobicContact CB-CE3 4.05Å; H12-W79 HydrophobicContact CB-CH2 3.82Å; H12-W79 HydrophobicContact CB-CZ2 4.11Å; H12-W79 HydrophobicContact CB-CZ3 3.8Å; H12-W79 AromaticContact CD2-CE2 3.98Å; H12-W79 AromaticContact CD2-CZ2 3.63Å; H12-D81 WeakPolarHBondContact CB-OD2 3.47Å; H12-D81 IonicContact CG-OD2 3.69Å; H12-D81 PolarHBondContact N-OD2 3.23Å; H12-D81 IonicContact ND1-OD2 3.16Å; H12-D81 PolarHBondContact ND1-OD2 3.28Å; H12-D81 VanDerWaalsContact ND1-OD2 3.16Å; H12-D81 WeakPolarHBondContact O-CA 3.42Å; H12-D81 WeakPolarHBondContact O-CB 3.41Å; H12-D81 PolarHBondContact O-N 2.98Å; H12-I82 PolarHBondContact O-N 3.18Å; H12-R218 PolarHBondContact CD2-NH1 3.49Å; H12-R218 PolarHBondContact CD2-NH2 3.09Å; H12-R218 PolarHBondContact CE1-NH1 3.08Å; H12-R218 PolarHBondContact ND1-NH1 3.5Å; H12-R218 PolarHBondContact NE2-NE 3.3Å; H12-R218 PolarHBondContact NE2-NH1 2.58Å |
| 13 | I | 97.4 | Very high | 83.7 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 115.6 | -168.3 | -52.9 | -177.1 | 0 | 0 | 0 | 107.3 | I11 L60 W61 I62 M63 W79 I82 L84 F166 | I11-I13 HydrophobicContact CG2-CG1 4.18Å; I13-L60 HydrophobicContact CD1-CD1 4.04Å; I13-L60 HydrophobicContact CD1-CD2 4.22Å; I13-W61 PolarHBondContact N-O 3.45Å; I13-I62 HydrophobicContact CB-CG1 4.32Å; I13-I62 HydrophobicContact CD1-CG1 4.46Å; I13-I62 CarbonylContact O-C 3.59Å; I13-I62 WeakPolarHBondContact O-CA 3.44Å; I13-M63 PolarHBondContact O-N 3.35Å; I13-W79 WeakPolarHBondContact O-CZ3 3.27Å; I13-I82 CarbonylContact C-O 3.51Å; I13-I82 VanDerWaalsContact CA-O 3.32Å; I13-I82 WeakPolarHBondContact CA-O 3.46Å; I13-I82 HydrophobicContact CD1-CD1 4.42Å; I13-I82 HydrophobicContact CG1-CB 4.21Å; I13-I82 HydrophobicContact CG1-CD1 4.28Å; I13-I82 HydrophobicContact CG2-CB 4.39Å; I13-I82 HydrophobicContact CG2-CG2 4.45Å; I13-L84 HydrophobicContact CG2-CD1 3.75Å; I13-L84 HydrophobicContact CG2-CD2 4.33Å; I13-L84 HydrophobicContact CG2-CG 3.6Å; I13-F166 HydrophobicContact CD1-CD1 3.74Å; I13-F166 HydrophobicContact CD1-CE1 3.94Å; I13-F166 HydrophobicContact CG2-CE1 4.3Å |
| 14 | A | 96.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | V16 A80 I82 F83 L84 | A14-V16 HydrophobicContact CB-CG1 4.3Å; A14-A80 HydrophobicContact CB-CB 3.64Å; A14-I82 PolarHBondContact N-O 3.26Å; A14-F83 HydrophobicContact CB-CD1 3.8Å; A14-F83 HydrophobicContact CB-CE1 3.78Å; A14-L84 PolarHBondContact O-N 2.59Å |
| 15 | V | 97.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 111 | 174.2 | -169.9 | 0 | 0 | 0 | 0 | 107.6 | K23 L26 I62 M63 T65 L84 L86 | V15-K23 HydrophobicContact CG1-CB 3.9Å; V15-K23 HydrophobicContact CG1-CG 4.3Å; V15-L26 HydrophobicContact CG1-CD2 4.4Å; V15-I62 HydrophobicContact CG2-CG2 3.73Å; V15-M63 PolarHBondContact N-O 3.49Å; V15-T65 WeakPolarHBondContact O-CB 3.37Å; V15-T65 WeakPolarHBondContact O-CG2 3.49Å; V15-T65 PolarHBondContact O-N 3.48Å; V15-T65 PolarHBondContact O-OG1 3.37Å; V15-L84 WeakPolarHBondContact CA-O 3.42Å; V15-L84 HydrophobicContact CG1-CB 4.49Å; V15-L84 HydrophobicContact CG2-CB 4.44Å; V15-L84 HydrophobicContact CG2-CD1 4.24Å; V15-L86 HydrophobicContact CG1-CD1 3.82Å; V15-L86 HydrophobicContact CG1-CD2 4.48Å |
| 16 | V | 96.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 162.3 | -172 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | A14 T65 Y76 L84 L85 L86 L101 | A14-V16 HydrophobicContact CB-CG1 4.3Å; V16-T65 WeakPolarHBondContact CA-OG1 3.48Å; V16-T65 HydrophobicContact CG1-CG2 3.88Å; V16-Y76 HydrophobicContact CG1-CD1 4.25Å; V16-Y76 HydrophobicContact CG1-CD2 4Å; V16-Y76 HydrophobicContact CG1-CE1 4.15Å; V16-Y76 HydrophobicContact CG1-CE2 3.91Å; V16-Y76 HydrophobicContact CG1-CG 4.18Å; V16-L84 PolarHBondContact N-O 2.88Å; V16-L85 HydrophobicContact CG2-CB 4.39Å; V16-L85 HydrophobicContact CG2-CD1 4.43Å; V16-L85 HydrophobicContact CG2-CD2 4.47Å; V16-L85 HydrophobicContact CG2-CG 3.68Å; V16-L85 WeakPolarHBondContact O-CA 3.24Å; V16-L86 PolarHBondContact O-N 3.03Å; V16-L101 HydrophobicContact CB-CD1 4.07Å; V16-L101 HydrophobicContact CG2-CD1 3.96Å |
| 17 | G | 96.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.1 | 175.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K23 L86 Y97 | G17-K23 WeakPolarHBondContact O-CD 3.36Å; G17-K23 PolarHBondContact O-NZ 2.86Å; G17-L86 WeakPolarHBondContact CA-O 3.4Å; G17-Y97 VanDerWaalsContact C-CE1 3.42Å |
| 18 | A | 94.8 | Very high | 94.2 | Very high | 16 Ų | 16 | 21.2 Ų | 21.2 | 13% | 0.132 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -63.8 | 163.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S21 K23 Y97 | A18-S21 WeakPolarHBondContact O-CB 3.33Å; A18-S21 PolarHBondContact O-N 3.11Å; A18-S21 PolarHBondContact O-OG 2.96Å; A18-K23 VanDerWaalsContact C-NZ 3.31Å; A18-K23 PolarHBondContact O-NZ 3.24Å; A18-Y97 HydrophobicContact CB-CD1 3.88Å; A18-Y97 HydrophobicContact CB-CG 3.9Å; A18-Y97 VanDerWaalsContact N-CD1 3.29Å |
| 19 | D | 93 | Very high | 95.3 | Very high | 81 Ų | 81 | 19.7 Ų | 19.7 | 43% | 0.433 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 144.3 | 172 | -71 | -18.3 | 0 | 0 | 0 | 111.2 | S21 K23 | D19-S21 PolarHBondContact O-N 3.08Å; D19-S21 VanDerWaalsContact O-N 3.12Å; D19-K23 IonicContact OD1-NZ 3.58Å; D19-K23 PolarHBondContact OD1-NZ 3.44Å |
| 20 | G | 93.3 | Very high | 95.7 | Very high | 56 Ų | 56 | 16.5 Ų | 16.5 | 58% | 0.577 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | -0 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G22 K125 | G20-G22 PolarHBondContact O-N 3.46Å; G20-K125 VanDerWaalsContact O-CE 3.31Å; G20-K125 WeakPolarHBondContact O-CE 3.37Å; G20-K125 PolarHBondContact O-NZ 3.15Å |
| 21 | S | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -68.8 | -19.4 | 174.6 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | A18 D19 L86 N124 | A18-S21 WeakPolarHBondContact O-CB 3.33Å; A18-S21 PolarHBondContact O-N 3.11Å; A18-S21 PolarHBondContact O-OG 2.96Å; D19-S21 PolarHBondContact O-N 3.08Å; D19-S21 VanDerWaalsContact O-N 3.12Å; S21-L86 WeakPolarHBondContact CB-O 3Å; S21-L86 PolarHBondContact OG-O 3.34Å; S21-N124 PolarHBondContact O-ND2 3.34Å |
| 22 | G | 96.1 | Very high | 95.9 | Very high | 15 Ų | 15 | 14.1 Ų | 14.1 | 16% | 0.155 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 104 | 21 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G20 A25 L26 | G20-G22 PolarHBondContact O-N 3.46Å; G22-A25 PolarHBondContact O-N 3.17Å; G22-L26 PolarHBondContact O-N 3.05Å |
| 23 | K | 96.6 | Very high | 95.8 | Very high | 13 Ų | 13 | 19.9 Ų | 19.9 | 6% | 0.057 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -47.8 | -62 | 175.3 | -53.9 | -176 | -67.1 | -88.4 | 0 | 113.1 | V15 G17 A18 D19 A25 L26 T27 D64 T65 | V15-K23 HydrophobicContact CG1-CB 3.9Å; V15-K23 HydrophobicContact CG1-CG 4.3Å; G17-K23 WeakPolarHBondContact O-CD 3.36Å; G17-K23 PolarHBondContact O-NZ 2.86Å; A18-K23 VanDerWaalsContact C-NZ 3.31Å; A18-K23 PolarHBondContact O-NZ 3.24Å; D19-K23 IonicContact OD1-NZ 3.58Å; D19-K23 PolarHBondContact OD1-NZ 3.44Å; K23-A25 VanDerWaalsContact C-N 3.28Å; K23-A25 PolarHBondContact O-N 3.49Å; K23-L26 PolarHBondContact O-N 3.4Å; K23-T27 PolarHBondContact O-N 2.95Å; K23-T27 PolarHBondContact O-OG1 3.26Å; K23-T27 VanDerWaalsContact O-OG1 3.14Å; K23-D64 WeakPolarHBondContact CB-OD1 3.39Å; K23-T65 WeakPolarHBondContact CE-O 3.48Å |
| 24 | S | 95.9 | Very high | 95.6 | Very high | 22 Ų | 22 | 28.7 Ų | 28.7 | 15% | 0.154 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.9 | -35.6 | -179.8 | -49.1 | 0 | 0 | 0 | 0 | 112.5 | T27 V28 D64 | S24-T27 PolarHBondContact O-N 2.95Å; S24-V28 VanDerWaalsContact O-CB 3.3Å; S24-V28 WeakPolarHBondContact O-CB 3.2Å; S24-V28 VanDerWaalsContact O-CG2 3.3Å; S24-V28 WeakPolarHBondContact O-CG2 3.41Å; S24-V28 PolarHBondContact O-N 3.2Å; S24-D64 WeakPolarHBondContact CA-OD2 3.28Å; S24-D64 WeakPolarHBondContact CB-OD2 3.47Å; S24-D64 PolarHBondContact N-OD1 2.78Å; S24-D64 PolarHBondContact OG-OD1 2.92Å; S24-D64 PolarHBondContact OG-OD2 3.05Å |
| 25 | A | 96.2 | Very high | 95.2 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | G22 K23 K29 Y35 Y39 V155 | G22-A25 PolarHBondContact O-N 3.17Å; K23-A25 VanDerWaalsContact C-N 3.28Å; K23-A25 PolarHBondContact O-N 3.49Å; A25-K29 WeakPolarHBondContact O-CB 3.12Å; A25-K29 PolarHBondContact O-N 3.49Å; A25-Y35 HydrophobicContact CB-CE2 3.99Å; A25-Y39 WeakPolarHBondContact CA-OH 3.3Å; A25-Y39 HydrophobicContact CB-CD2 4.42Å; A25-Y39 HydrophobicContact CB-CE2 3.59Å; A25-V155 HydrophobicContact CB-CG1 3.86Å; A25-V155 WeakPolarHBondContact O-CG1 3.47Å |
| 26 | L | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 175.7 | 177.5 | 66.3 | 0 | 0 | 0 | 110.4 | V15 G22 K23 K29 F30 L84 L86 I122 I153 V155 I162 L165 F166 | V15-L26 HydrophobicContact CG1-CD2 4.4Å; G22-L26 PolarHBondContact O-N 3.05Å; K23-L26 PolarHBondContact O-N 3.4Å; L26-K29 PolarHBondContact O-N 2.84Å; L26-F30 WeakPolarHBondContact O-CB 3.26Å; L26-F30 PolarHBondContact O-N 3.37Å; L26-L84 HydrophobicContact CD2-CD1 4.05Å; L26-L86 HydrophobicContact CB-CD2 4.01Å; L26-L86 HydrophobicContact CD2-CD1 3.8Å; L26-L86 HydrophobicContact CD2-CD2 3.82Å; L26-L86 HydrophobicContact CD2-CG 4.3Å; L26-I122 HydrophobicContact CD2-CD1 4.42Å; L26-I153 HydrophobicContact CD1-CD1 3.78Å; L26-V155 HydrophobicContact CB-CG2 3.97Å; L26-V155 HydrophobicContact CD1-CG2 3.94Å; L26-I162 HydrophobicContact CD1-CD1 3.84Å; L26-I162 HydrophobicContact CD1-CG1 4.44Å; L26-I162 HydrophobicContact CD1-CG2 3.67Å; L26-L165 HydrophobicContact CD1-CD2 4.48Å; L26-F166 HydrophobicContact CD1-CE2 4.1Å; L26-F166 HydrophobicContact CD2-CE2 4.41Å; L26-F166 HydrophobicContact CG-CE2 4.1Å; L26-F166 HydrophobicContact CG-CZ 4.44Å |
| 27 | T | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -53.8 | -179.7 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | K23 S24 K29 F30 M31 Y47 I62 D64 | K23-T27 PolarHBondContact O-N 2.95Å; K23-T27 PolarHBondContact O-OG1 3.26Å; K23-T27 VanDerWaalsContact O-OG1 3.14Å; S24-T27 PolarHBondContact O-N 2.95Å; T27-K29 PolarHBondContact O-N 2.78Å; T27-F30 WeakPolarHBondContact O-CB 3.39Å; T27-F30 PolarHBondContact O-N 2.95Å; T27-M31 HydrophobicContact CG2-CG 4.33Å; T27-M31 VanDerWaalsContact O-CG 3.24Å; T27-M31 WeakPolarHBondContact O-CG 3.37Å; T27-M31 PolarHBondContact O-N 3.3Å; T27-Y47 HydrophobicContact CG2-CD2 3.43Å; T27-Y47 VanDerWaalsContact CG2-CD2 3.43Å; T27-Y47 HydrophobicContact CG2-CE2 3.75Å; T27-Y47 HydrophobicContact CG2-CG 4.19Å; T27-I62 HydrophobicContact CG2-CG2 3.87Å; T27-D64 HydrophobicContact CG2-CB 4.23Å |
| 28 | V | 95 | Very high | 93.6 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.3 | -39.2 | -179.3 | 170.8 | 0 | 0 | 0 | 0 | 112.2 | S24 F30 M31 T32 I36 Y39 | S24-V28 VanDerWaalsContact O-CB 3.3Å; S24-V28 WeakPolarHBondContact O-CB 3.2Å; S24-V28 VanDerWaalsContact O-CG2 3.3Å; S24-V28 WeakPolarHBondContact O-CG2 3.41Å; S24-V28 PolarHBondContact O-N 3.2Å; V28-F30 VanDerWaalsContact C-N 3.3Å; V28-F30 PolarHBondContact O-N 3.02Å; V28-M31 PolarHBondContact O-N 3.25Å; V28-T32 HydrophobicContact CG1-CG2 4.07Å; V28-T32 WeakPolarHBondContact O-CB 3.38Å; V28-T32 PolarHBondContact O-N 3.41Å; V28-T32 PolarHBondContact O-OG1 3.5Å; V28-I36 HydrophobicContact CG1-CD1 3.78Å; V28-I36 HydrophobicContact CG1-CG1 4.05Å; V28-Y39 HydrophobicContact CB-CE1 3.71Å; V28-Y39 HydrophobicContact CG1-CE1 4.04Å; V28-Y39 HydrophobicContact CG2-CD1 4.15Å; V28-Y39 HydrophobicContact CG2-CE1 3.74Å |
| 29 | K | 96.2 | Very high | 93.3 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 174.5 | -176.1 | 65.1 | 169.8 | -102.6 | 0 | 110.5 | A25 L26 T27 K33 R34 V155 T156 E157 Y159 I162 | A25-K29 WeakPolarHBondContact O-CB 3.12Å; A25-K29 PolarHBondContact O-N 3.49Å; L26-K29 PolarHBondContact O-N 2.84Å; T27-K29 PolarHBondContact O-N 2.78Å; K29-K33 WeakPolarHBondContact O-CA 3.4Å; K29-K33 PolarHBondContact O-N 3.02Å; K29-R34 VanDerWaalsContact CA-O 3.32Å; K29-R34 WeakPolarHBondContact CA-O 3.39Å; K29-R34 VanDerWaalsContact CD-C 3.48Å; K29-R34 WeakPolarHBondContact CD-O 3.34Å; K29-V155 HydrophobicContact CB-CG1 3.87Å; K29-V155 HydrophobicContact CG-CG1 4.21Å; K29-V155 PolarHBondContact NZ-O 3.32Å; K29-T156 PolarHBondContact NZ-O 3.37Å; K29-E157 WeakPolarHBondContact CE-O 3.26Å; K29-E157 PolarHBondContact NZ-O 3.1Å; K29-Y159 WeakPolarHBondContact O-CD2 3.29Å; K29-Y159 WeakPolarHBondContact O-CE2 3.39Å; K29-I162 HydrophobicContact CG-CG1 4.04Å |
| 30 | F | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -49.4 | 173.9 | -177.4 | -108.3 | 0 | 0 | 0 | 111.3 | L26 T27 V28 K49 M51 L60 I62 Y159 I162 F166 | L26-F30 WeakPolarHBondContact O-CB 3.26Å; L26-F30 PolarHBondContact O-N 3.37Å; T27-F30 WeakPolarHBondContact O-CB 3.39Å; T27-F30 PolarHBondContact O-N 2.95Å; V28-F30 VanDerWaalsContact C-N 3.3Å; V28-F30 PolarHBondContact O-N 3.02Å; F30-K49 HydrophobicContact CD1-CD 4.08Å; F30-K49 HydrophobicContact CE1-CB 4.28Å; F30-K49 HydrophobicContact CE1-CD 3.65Å; F30-K49 HydrophobicContact CE1-CG 4.18Å; F30-K49 HydrophobicContact CZ-CD 4.1Å; F30-K49 PolarHBondContact O-NZ 3.43Å; F30-M51 HydrophobicContact CE2-SD 4.38Å; F30-M51 HydrophobicContact CZ-SD 4.13Å; F30-L60 HydrophobicContact CE1-CD1 4.02Å; F30-L60 HydrophobicContact CZ-CD1 3.87Å; F30-I62 HydrophobicContact CD1-CD1 3.26Å; F30-I62 HydrophobicContact CE1-CD1 3.38Å; F30-I62 HydrophobicContact CG-CD1 4.4Å; F30-Y159 WeakPolarHBondContact O-CE2 3.43Å; F30-I162 HydrophobicContact CB-CG2 3.98Å; F30-I162 HydrophobicContact CD2-CG2 4.33Å; F30-F166 HydrophobicContact CB-CD2 4.09Å; F30-F166 HydrophobicContact CB-CE2 3.7Å; F30-F166 HydrophobicContact CB-CZ 4.1Å; F30-F166 HydrophobicContact CD1-CD1 4.16Å; F30-F166 HydrophobicContact CD1-CD2 4.37Å; F30-F166 HydrophobicContact CD1-CE1 4.15Å; F30-F166 HydrophobicContact CD1-CE2 4.36Å; F30-F166 HydrophobicContact CD1-CG 4.27Å; F30-F166 HydrophobicContact CD1-CZ 4.25Å; F30-F166 HydrophobicContact CD2-CB 3.95Å; F30-F166 HydrophobicContact CD2-CD1 4.34Å; F30-F166 AromaticContact CD2-CD2 3.43Å; F30-F166 HydrophobicContact CD2-CD2 3.43Å; F30-F166 VanDerWaalsContact CD2-CD2 3.43Å; F30-F166 AromaticContact CD2-CE2 3.96Å; F30-F166 HydrophobicContact CD2-CE2 3.96Å; F30-F166 AromaticContact CD2-CG 3.64Å; F30-F166 HydrophobicContact CD2-CG 3.64Å; F30-F166 HydrophobicContact CE1-CD1 4.04Å; F30-F166 HydrophobicContact CE1-CE1 4.4Å; F30-F166 HydrophobicContact CE1-CG 4.22Å; F30-F166 HydrophobicContact CE2-CB 3.46Å; F30-F166 VanDerWaalsContact CE2-CB 3.46Å; F30-F166 HydrophobicContact CE2-CD1 4.25Å; F30-F166 AromaticContact CE2-CD2 3.89Å; F30-F166 HydrophobicContact CE2-CD2 3.89Å; F30-F166 AromaticContact CE2-CG 3.6Å; F30-F166 HydrophobicContact CE2-CG 3.6Å; F30-F166 HydrophobicContact CG-CD1 4.28Å; F30-F166 AromaticContact CG-CD2 3.69Å; F30-F166 HydrophobicContact CG-CD2 3.69Å; F30-F166 HydrophobicContact CG-CE1 4.33Å; F30-F166 AromaticContact CG-CE2 3.74Å; F30-F166 HydrophobicContact CG-CE2 3.74Å; F30-F166 AromaticContact CG-CG 3.97Å; F30-F166 HydrophobicContact CG-CG 3.97Å; F30-F166 HydrophobicContact CG-CZ 4.06Å; F30-F166 HydrophobicContact CZ-CB 3.83Å; F30-F166 HydrophobicContact CZ-CD1 4.09Å; F30-F166 AromaticContact CZ-CG 3.9Å; F30-F166 HydrophobicContact CZ-CG 3.9Å |
| 31 | M | 94.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.059 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -49.2 | -176.4 | -64.5 | -50.9 | -66.4 | 0 | 0 | 112.6 | T27 V28 Y47 C48 K49 I62 Y227 | T27-M31 HydrophobicContact CG2-CG 4.33Å; T27-M31 VanDerWaalsContact O-CG 3.24Å; T27-M31 WeakPolarHBondContact O-CG 3.37Å; T27-M31 PolarHBondContact O-N 3.3Å; V28-M31 PolarHBondContact O-N 3.25Å; M31-Y47 HydrophobicContact CG-CD1 4.42Å; M31-Y47 HydrophobicContact CG-CG 4.22Å; M31-C48 WeakPolarHBondContact CE-O 3.45Å; M31-K49 HydrophobicContact CE-CB 3.68Å; M31-K49 HydrophobicContact CE-CD 4.28Å; M31-K49 PolarHBondContact O-NZ 3.37Å; M31-K49 HydrophobicContact SD-CB 3.84Å; M31-K49 HydrophobicContact SD-CD 4.04Å; M31-I62 HydrophobicContact SD-CD1 4.08Å; M31-Y227 HydrophobicContact CB-CG 4.42Å; M31-Y227 HydrophobicContact CE-CD2 3.61Å; M31-Y227 HydrophobicContact CE-CG 3.82Å |
| 32 | T | 93.8 | Very high | 91.8 | Very high | 35 Ų | 35 | 62.7 Ų | 62.7 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -103.8 | -9 | -166.4 | 71.3 | 0 | 0 | 0 | 0 | 114.5 | V28 R34 Y227 | V28-T32 HydrophobicContact CG1-CG2 4.07Å; V28-T32 WeakPolarHBondContact O-CB 3.38Å; V28-T32 PolarHBondContact O-N 3.41Å; V28-T32 PolarHBondContact O-OG1 3.5Å; T32-R34 PolarHBondContact O-N 3.33Å; T32-R34 PolarHBondContact OG1-N 3.45Å; T32-R34 PolarHBondContact OG1-O 2.61Å; T32-Y227 HydrophobicContact CG2-CD1 4.23Å; T32-Y227 HydrophobicContact CG2-CE1 3.86Å |
| 33 | K | 94.8 | Very high | 91.4 | Very high | 128 Ų | 128 | 65.2 Ų | 65.2 | 56% | 0.557 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 63.7 | 9.6 | -171.9 | -42.2 | -179.6 | -177.3 | 170.4 | 0 | 114.2 | K29 Y159 | K29-K33 WeakPolarHBondContact O-CA 3.4Å; K29-K33 PolarHBondContact O-N 3.02Å; K33-Y159 HydrophobicContact CB-CD1 4.23Å; K33-Y159 HydrophobicContact CB-CD2 3.97Å; K33-Y159 HydrophobicContact CB-CE1 4.44Å; K33-Y159 HydrophobicContact CB-CE2 4.17Å; K33-Y159 HydrophobicContact CB-CG 4Å; K33-Y159 HydrophobicContact CD-CD1 4.32Å; K33-Y159 HydrophobicContact CD-CE1 3.99Å; K33-Y159 HydrophobicContact CG-CD1 4.12Å; K33-Y159 HydrophobicContact CG-CD2 4.13Å; K33-Y159 HydrophobicContact CG-CE1 3.84Å; K33-Y159 HydrophobicContact CG-CE2 3.82Å; K33-Y159 HydrophobicContact CG-CG 4.27Å |
| 34 | R | 92 | Very high | 91.1 | Very high | 186 Ų | 186 | 66.7 Ų | 66.7 | 70% | 0.702 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -122.1 | 148.3 | -177.6 | -62.8 | 179.5 | -177.7 | -169.6 | -0.1 | 110.2 | K29 T32 | K29-R34 VanDerWaalsContact CA-O 3.32Å; K29-R34 WeakPolarHBondContact CA-O 3.39Å; K29-R34 VanDerWaalsContact CD-C 3.48Å; K29-R34 WeakPolarHBondContact CD-O 3.34Å; T32-R34 PolarHBondContact O-N 3.33Å; T32-R34 PolarHBondContact OG1-N 3.45Å; T32-R34 PolarHBondContact OG1-O 2.61Å |
| 35 | Y | 89.3 | Confident | 91 | Very high | 115 Ų | 115 | 66.5 Ų | 66.5 | 45% | 0.451 | 33% | 0.33 | S | S | . | . | trans | -93.1 | 124.1 | 167.5 | -180 | -102.8 | 0 | 0 | 0 | 108.5 | A25 V155 T156 | A25-Y35 HydrophobicContact CB-CE2 3.99Å; Y35-V155 HydrophobicContact CD2-CG1 4.09Å; Y35-V155 HydrophobicContact CE2-CG1 4.37Å; Y35-T156 HydrophobicContact CD2-CG2 4.32Å; Y35-T156 HydrophobicContact CE1-CG2 4.2Å; Y35-T156 HydrophobicContact CE2-CG2 3.94Å | ||
| 36 | I | 86.9 | Confident | 90.9 | Very high | 83 Ų | 83 | 66.2 Ų | 66.2 | 43% | 0.426 | 33% | 0.328 | S | S | . | . | trans | -104.6 | 135.2 | 173.7 | -53.5 | -176.6 | 0 | 0 | 0 | 106.2 | V28 E38 Y39 | V28-I36 HydrophobicContact CG1-CD1 3.78Å; V28-I36 HydrophobicContact CG1-CG1 4.05Å; I36-E38 PolarHBondContact O-N 3.05Å; I36-Y39 HydrophobicContact CB-CE1 4.2Å; I36-Y39 PolarHBondContact N-OH 2.82Å; I36-Y39 VanDerWaalsContact N-OH 3.14Å; I36-Y39 WeakPolarHBondContact O-CE2 3.38Å; I36-Y39 PolarHBondContact O-OH 3.19Å | ||
| 37 | G | 82.9 | Confident | 90.8 | Very high | 63 Ų | 63 | 67 Ų | 67 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -78.3 | -10.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 38 | E | 86.3 | Confident | 90.7 | Very high | 172 Ų | 172 | 67.5 Ų | 67.5 | 80% | 0.804 | 34% | 0.335 | S | S | * | . | trans | -128.5 | 128.5 | -168.2 | -65.3 | 170.8 | -164 | 0 | 0 | 109.5 | I36 | I36-E38 PolarHBondContact O-N 3.05Š| ||
| 39 | Y | 87.8 | Confident | 90.6 | Very high | 64 Ų | 64 | 68 Ų | 68 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | trans | -137.8 | 152.5 | -179.5 | -58.5 | -79.2 | 0 | 0 | 0 | 110.3 | A25 V28 I36 V41 | A25-Y39 WeakPolarHBondContact CA-OH 3.3Å; A25-Y39 HydrophobicContact CB-CD2 4.42Å; A25-Y39 HydrophobicContact CB-CE2 3.59Å; V28-Y39 HydrophobicContact CB-CE1 3.71Å; V28-Y39 HydrophobicContact CG1-CE1 4.04Å; V28-Y39 HydrophobicContact CG2-CD1 4.15Å; V28-Y39 HydrophobicContact CG2-CE1 3.74Å; I36-Y39 HydrophobicContact CB-CE1 4.2Å; I36-Y39 PolarHBondContact N-OH 2.82Å; I36-Y39 VanDerWaalsContact N-OH 3.14Å; I36-Y39 WeakPolarHBondContact O-CE2 3.38Å; I36-Y39 PolarHBondContact O-OH 3.19Å; Y39-V41 PolarHBondContact O-N 3.03Å | ||
| 40 | H | 85 | Confident | 90.6 | Very high | 146 Ų | 146 | 71.8 Ų | 71.8 | 68% | 0.676 | 35% | 0.353 | S | S | * | . | trans | -83.1 | 108.4 | 175 | -65.9 | -68.4 | 0 | 0 | 0 | 110.1 | N42 L43 | H40-N42 VanDerWaalsContact C-N 3.28Å; H40-N42 PolarHBondContact O-N 3.04Å; H40-L43 HydrophobicContact CB-CB 3.8Å; H40-L43 HydrophobicContact CB-CD2 4.2Å; H40-L43 PolarHBondContact O-N 3.48Å | ||
| 41 | V | 82.8 | Confident | 90.4 | Very high | 92 Ų | 92 | 72.5 Ų | 72.5 | 56% | 0.558 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -35 | -174.9 | -178.4 | 0 | 0 | 0 | 0 | 112.8 | Y39 V66 | Y39-V41 PolarHBondContact O-N 3.03Å; V41-V66 WeakPolarHBondContact O-CG2 3.44Å |
| 42 | N | 84.7 | Confident | 90.3 | Very high | 136 Ų | 136 | 76 Ų | 76 | 73% | 0.727 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 19 | -173 | -63.1 | -22.6 | 0 | 0 | 0 | 114.6 | H40 | H40-N42 VanDerWaalsContact C-N 3.28Å; H40-N42 PolarHBondContact O-N 3.04Å |
| 43 | L | 86.8 | Confident | 90.2 | Very high | 68 Ų | 68 | 74.4 Ų | 74.4 | 36% | 0.356 | 37% | 0.369 | S | S | . | . | trans | -110.3 | 110.8 | -174.2 | -177.5 | 62.5 | 0 | 0 | 0 | 110.8 | H40 D45 | H40-L43 HydrophobicContact CB-CB 3.8Å; H40-L43 HydrophobicContact CB-CD2 4.2Å; H40-L43 PolarHBondContact O-N 3.48Å; L43-D45 WeakPolarHBondContact CD2-OD2 3.39Å | ||
| 44 | E | 91 | Very high | 89.8 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 21% | 0.206 | 37% | 0.366 | C | S | . | . | trans | -90.1 | 126.3 | 167.9 | 178.6 | 171.8 | 73.2 | 0 | 0 | 109.6 | D64 V66 K71 R75 | E44-D64 VanDerWaalsContact CA-O 3.31Å; E44-D64 WeakPolarHBondContact CA-O 3.31Å; E44-V66 HydrophobicContact CB-CB 4.29Å; E44-V66 HydrophobicContact CB-CG1 3.66Å; E44-K71 IonicContact OE1-NZ 2.58Å; E44-K71 PolarHBondContact OE1-NZ 2.86Å; E44-R75 IonicContact OE1-NE 3.9Å; E44-R75 IonicContact OE2-CZ 3.62Å; E44-R75 IonicContact OE2-NE 2.96Å; E44-R75 PolarHBondContact OE2-NE 2.94Å; E44-R75 IonicContact OE2-NH2 3.64Å; E44-R75 PolarHBondContact OE2-NH2 2.8Å | ||
| 45 | D | 92.2 | Very high | 89.4 | Confident | 18 Ų | 18 | 70.4 Ų | 70.4 | 10% | 0.096 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 148 | -175.8 | -96.2 | -29.3 | 0 | 0 | 0 | 110.7 | L43 Y47 M63 D64 K225 | L43-D45 WeakPolarHBondContact CD2-OD2 3.39Å; D45-Y47 HydrophobicContact CB-CD2 4.44Å; D45-Y47 HydrophobicContact CB-CE2 3.61Å; D45-Y47 PolarHBondContact OD2-OH 2.98Å; D45-M63 WeakPolarHBondContact O-CA 3.18Å; D45-D64 PolarHBondContact N-O 3Å; D45-D64 VanDerWaalsContact N-O 3.11Å; D45-D64 PolarHBondContact O-N 3.41Å; D45-K225 IonicContact OD1-NZ 2.69Å; D45-K225 IonicContact OD2-NZ 2.9Å; D45-K225 PolarHBondContact OD2-NZ 3.16Å |
| 46 | T | 94.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.1 | 172.2 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | W61 I62 W79 K225 | T46-W61 HydrophobicContact CG2-CE3 4.16Å; T46-I62 CarbonylContact C-O 3.59Å; T46-I62 WeakPolarHBondContact CA-O 3.2Å; T46-W79 HydrophobicContact CG2-CH2 4.16Å; T46-W79 HydrophobicContact CG2-CZ2 3.78Å; T46-K225 PolarHBondContact O-N 3.24Å |
| 47 | Y | 95.3 | Very high | 89.5 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 148.1 | -176.6 | -60.4 | -81.8 | 0 | 0 | 0 | 110.7 | T27 M31 D45 W61 I62 D64 K225 Y227 | T27-Y47 HydrophobicContact CG2-CD2 3.43Å; T27-Y47 VanDerWaalsContact CG2-CD2 3.43Å; T27-Y47 HydrophobicContact CG2-CE2 3.75Å; T27-Y47 HydrophobicContact CG2-CG 4.19Å; M31-Y47 HydrophobicContact CG-CD1 4.42Å; M31-Y47 HydrophobicContact CG-CG 4.22Å; D45-Y47 HydrophobicContact CB-CD2 4.44Å; D45-Y47 HydrophobicContact CB-CE2 3.61Å; D45-Y47 PolarHBondContact OD2-OH 2.98Å; Y47-W61 CarbonylContact O-C 3.55Å; Y47-W61 WeakPolarHBondContact O-CA 3.37Å; Y47-I62 PolarHBondContact N-O 2.8Å; Y47-I62 PolarHBondContact O-N 2.82Å; Y47-D64 HydrophobicContact CD2-CB 4.48Å; Y47-D64 HydrophobicContact CE2-CB 3.95Å; Y47-K225 HydrophobicContact CD1-CB 4.1Å; Y47-K225 HydrophobicContact CE1-CB 4.28Å; Y47-K225 HydrophobicContact CE1-CD 4Å; Y47-Y227 HydrophobicContact CD1-CD2 4.07Å; Y47-Y227 AromaticContact CD1-CE2 3.46Å; Y47-Y227 HydrophobicContact CD1-CE2 3.46Å; Y47-Y227 VanDerWaalsContact CD1-CE2 3.46Å; Y47-Y227 AromaticContact CE1-CE2 3.76Å; Y47-Y227 HydrophobicContact CE1-CE2 3.76Å |
| 48 | C | 94.5 | Very high | 90 | Very high | 12 Ų | 12 | 66.1 Ų | 66.1 | 8% | 0.081 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 128.7 | 179.7 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | M31 M59 L60 W61 V224 K225 | M31-C48 WeakPolarHBondContact CE-O 3.45Å; C48-M59 WeakPolarHBondContact SG-CG 3.11Å; C48-M59 PolarHBondContact SG-SD 3.49Å; C48-L60 CarbonylContact C-O 3.02Å; C48-L60 WeakPolarHBondContact CA-O 3.1Å; C48-W61 HydrophobicContact CB-CE3 4.21Å; C48-W61 HydrophobicContact CB-CZ3 4.26Å; C48-V224 HydrophobicContact CB-CG1 3.77Å; C48-K225 PolarHBondContact N-O 3.09Å |
| 49 | K | 94.6 | Very high | 90.4 | Very high | 26 Ų | 26 | 59.9 Ų | 59.9 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 127.6 | 179.7 | -179 | 158.4 | 172.6 | 175.3 | 0 | 112.4 | F30 M31 L60 Y159 | F30-K49 HydrophobicContact CD1-CD 4.08Å; F30-K49 HydrophobicContact CE1-CB 4.28Å; F30-K49 HydrophobicContact CE1-CD 3.65Å; F30-K49 HydrophobicContact CE1-CG 4.18Å; F30-K49 HydrophobicContact CZ-CD 4.1Å; F30-K49 PolarHBondContact O-NZ 3.43Å; M31-K49 HydrophobicContact CE-CB 3.68Å; M31-K49 HydrophobicContact CE-CD 4.28Å; M31-K49 PolarHBondContact O-NZ 3.37Å; M31-K49 HydrophobicContact SD-CB 3.84Å; M31-K49 HydrophobicContact SD-CD 4.04Å; K49-L60 PolarHBondContact N-O 2.88Å; K49-L60 WeakPolarHBondContact O-CB 3.45Å; K49-L60 PolarHBondContact O-N 3.34Å; K49-Y159 PolarHBondContact NZ-OH 3.48Å |
| 50 | Q | 94.3 | Very high | 90.8 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 136.4 | 171.8 | -166.4 | -179.2 | 7.1 | 0 | 0 | 110.9 | E57 C58 M59 | Q50-E57 PolarHBondContact NE2-OE2 3.34Å; Q50-C58 WeakPolarHBondContact CA-O 2.96Å; Q50-M59 HydrophobicContact CB-CE 4.46Å; Q50-M59 HydrophobicContact CB-SD 4.26Å |
| 51 | M | 93.7 | Very high | 91.4 | Very high | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 136.7 | 175.2 | -175.8 | 168.2 | 69.9 | 0 | 0 | 110.5 | F30 V53 C58 L60 R167 T170 | F30-M51 HydrophobicContact CE2-SD 4.38Å; F30-M51 HydrophobicContact CZ-SD 4.13Å; M51-V53 HydrophobicContact CE-CG2 3.61Å; M51-V53 HydrophobicContact CG-CG2 4.08Å; M51-V53 HydrophobicContact SD-CG2 4.45Å; M51-C58 PolarHBondContact N-O 3.33Å; M51-C58 PolarHBondContact O-N 3.37Å; M51-L60 HydrophobicContact CB-CD1 4.43Å; M51-L60 HydrophobicContact CB-CG 4.47Å; M51-L60 HydrophobicContact CE-CD1 3.56Å; M51-L60 HydrophobicContact CE-CG 4.28Å; M51-L60 HydrophobicContact SD-CD1 4.33Å; M51-R167 HydrophobicContact CE-CB 4.31Å; M51-R167 HydrophobicContact SD-CB 4.2Å; M51-T170 HydrophobicContact CE-CG2 3.77Å; M51-T170 WeakPolarHBondContact CE-OG1 3.37Å |
| 52 | T | 92.7 | Very high | 92.1 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 52% | 0.515 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126 | 173.4 | -47.8 | 0 | 0 | 0 | 0 | 110 | N56 | T52-N56 WeakPolarHBondContact CA-O 3.49Å |
| 53 | V | 91.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 127.7 | 178.7 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | M51 N55 N56 R167 T170 E171 L174 | M51-V53 HydrophobicContact CE-CG2 3.61Å; M51-V53 HydrophobicContact CG-CG2 4.08Å; M51-V53 HydrophobicContact SD-CG2 4.45Å; V53-N55 PolarHBondContact O-N 3.32Å; V53-N55 VanDerWaalsContact O-N 3.16Å; V53-N56 PolarHBondContact N-O 3.2Å; V53-N56 WeakPolarHBondContact O-CA 3.43Å; V53-N56 WeakPolarHBondContact O-CB 3.25Å; V53-N56 PolarHBondContact O-N 3.42Å; V53-N56 VanDerWaalsContact O-O 3.13Å; V53-R167 HydrophobicContact CG2-CG 4.14Å; V53-T170 HydrophobicContact CB-CG2 4.28Å; V53-T170 HydrophobicContact CG2-CG2 3.59Å; V53-E171 HydrophobicContact CG1-CB 3.49Å; V53-E171 VanDerWaalsContact CG1-CB 3.49Å; V53-E171 HydrophobicContact CG1-CG 4.05Å; V53-L174 HydrophobicContact CB-CD1 4.49Å; V53-L174 HydrophobicContact CG1-CD1 4.45Å |
| 54 | C | 86.5 | Confident | 93 | Very high | 73 Ų | 73 | 38.5 Ų | 38.5 | 49% | 0.493 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 40.6 | -177.2 | -49 | 0 | 0 | 0 | 0 | 113.9 | N56 E171 | C54-N56 PolarHBondContact O-N 3.22Å; C54-N56 VanDerWaalsContact O-N 3.14Å; C54-E171 VanDerWaalsContact SG-CG 3.52Å; C54-E171 PolarHBondContact SG-OE1 2.97Å |
| 55 | N | 84.6 | Confident | 93.1 | Very high | 157 Ų | 157 | 36.7 Ų | 36.7 | 84% | 0.84 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 8 | -173.6 | -57.9 | -27.5 | 0 | 0 | 0 | 115.9 | V53 | V53-N55 PolarHBondContact O-N 3.32Å; V53-N55 VanDerWaalsContact O-N 3.16Å |
| 56 | N | 86.8 | Confident | 92.9 | Very high | 71 Ų | 71 | 36 Ų | 36 | 38% | 0.38 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.1 | 171.7 | -65.4 | -28.8 | 0 | 0 | 0 | 110.1 | T52 V53 C54 | T52-N56 WeakPolarHBondContact CA-O 3.49Å; V53-N56 PolarHBondContact N-O 3.2Å; V53-N56 WeakPolarHBondContact O-CA 3.43Å; V53-N56 WeakPolarHBondContact O-CB 3.25Å; V53-N56 PolarHBondContact O-N 3.42Å; V53-N56 VanDerWaalsContact O-O 3.13Å; C54-N56 PolarHBondContact O-N 3.22Å; C54-N56 VanDerWaalsContact O-N 3.14Å |
| 57 | E | 90.8 | Very high | 92.2 | Very high | 99 Ų | 99 | 39.4 Ų | 39.4 | 46% | 0.463 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.8 | 170.8 | -68.2 | -175.7 | 166.7 | 0 | 0 | 109.5 | L8 Q50 | L8-E57 HydrophobicContact CD2-CB 3.42Å; L8-E57 VanDerWaalsContact CD2-CB 3.42Å; L8-E57 WeakPolarHBondContact CD2-O 3.45Å; Q50-E57 PolarHBondContact NE2-OE2 3.34Å |
| 58 | C | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.9 | -179.9 | -55.4 | 0 | 0 | 0 | 0 | 109.5 | N9 Q50 M51 T170 L174 | N9-C58 HydrophobicContact CB-CB 4.49Å; N9-C58 CarbonylContact O-C 3.47Å; N9-C58 VanDerWaalsContact O-CA 3.27Å; N9-C58 WeakPolarHBondContact O-CA 3.45Å; Q50-C58 WeakPolarHBondContact CA-O 2.96Å; M51-C58 PolarHBondContact N-O 3.33Å; M51-C58 PolarHBondContact O-N 3.37Å; C58-T170 HydrophobicContact CB-CG2 4.31Å; C58-L174 VanDerWaalsContact SG-CD1 3.54Å |
| 59 | M | 95.1 | Very high | 90.1 | Very high | 42 Ų | 42 | 51.5 Ų | 51.5 | 21% | 0.207 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114.9 | 170.3 | -166.9 | 62.1 | 79 | 0 | 0 | 109 | L8 N9 E10 I11 C48 Q50 | L8-M59 HydrophobicContact CB-CB 4.4Å; L8-M59 HydrophobicContact CD1-CE 3.88Å; N9-M59 PolarHBondContact O-N 3.15Å; E10-M59 WeakPolarHBondContact CA-O 3.43Å; E10-M59 HydrophobicContact CG-CB 4.41Å; I11-M59 PolarHBondContact N-O 3.18Å; C48-M59 WeakPolarHBondContact SG-CG 3.11Å; C48-M59 PolarHBondContact SG-SD 3.49Å; Q50-M59 HydrophobicContact CB-CE 4.46Å; Q50-M59 HydrophobicContact CB-SD 4.26Å |
| 60 | L | 96.6 | Very high | 89 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127.6 | 174.1 | -60.9 | -167.9 | 0 | 0 | 0 | 110.5 | I11 I13 F30 C48 K49 M51 I62 F166 T170 | I11-L60 HydrophobicContact CB-CD2 3.75Å; I11-L60 HydrophobicContact CG1-CD2 4.44Å; I11-L60 HydrophobicContact CG2-CD2 4.34Å; I11-L60 WeakPolarHBondContact O-CA 3.23Å; I13-L60 HydrophobicContact CD1-CD1 4.04Å; I13-L60 HydrophobicContact CD1-CD2 4.22Å; F30-L60 HydrophobicContact CE1-CD1 4.02Å; F30-L60 HydrophobicContact CZ-CD1 3.87Å; C48-L60 CarbonylContact C-O 3.02Å; C48-L60 WeakPolarHBondContact CA-O 3.1Å; K49-L60 PolarHBondContact N-O 2.88Å; K49-L60 WeakPolarHBondContact O-CB 3.45Å; K49-L60 PolarHBondContact O-N 3.34Å; M51-L60 HydrophobicContact CB-CD1 4.43Å; M51-L60 HydrophobicContact CB-CG 4.47Å; M51-L60 HydrophobicContact CE-CD1 3.56Å; M51-L60 HydrophobicContact CE-CG 4.28Å; M51-L60 HydrophobicContact SD-CD1 4.33Å; L60-I62 HydrophobicContact CB-CG1 4.39Å; L60-F166 HydrophobicContact CD1-CD1 4.22Å; L60-T170 HydrophobicContact CD2-CG2 3.93Å |
| 61 | W | 96.9 | Very high | 88.1 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 16% | 0.163 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.2 | 169.2 | -61.8 | 88.8 | 0 | 0 | 0 | 108.3 | I11 H12 I13 T46 Y47 C48 W79 V224 | I11-W61 PolarHBondContact O-N 3.08Å; H12-W61 CarbonylContact C-O 3.59Å; H12-W61 WeakPolarHBondContact CA-O 3.35Å; H12-W61 HydrophobicContact CB-CB 4.36Å; H12-W61 WeakPolarHBondContact CD2-CB 3.28Å; H12-W61 AromaticContact CD2-CD1 3.36Å; H12-W61 AromaticContact CD2-CG 3.28Å; H12-W61 AromaticContact CE1-CD1 3.6Å; H12-W61 AromaticContact NE2-CD1 3.1Å; H12-W61 AromaticContact NE2-CG 3.43Å; H12-W61 AromaticContact NE2-NE1 3.5Å; I13-W61 PolarHBondContact N-O 3.45Å; T46-W61 HydrophobicContact CG2-CE3 4.16Å; Y47-W61 CarbonylContact O-C 3.55Å; Y47-W61 WeakPolarHBondContact O-CA 3.37Å; C48-W61 HydrophobicContact CB-CE3 4.21Å; C48-W61 HydrophobicContact CB-CZ3 4.26Å; W61-W79 HydrophobicContact CB-CH2 3.88Å; W61-W79 HydrophobicContact CB-CZ2 3.88Å; W61-W79 WeakPolarHBondContact O-CH2 3.45Å; W61-V224 HydrophobicContact CE3-CG1 4.27Å; W61-V224 HydrophobicContact CE3-CG2 4.47Å; W61-V224 HydrophobicContact CH2-CG1 4.29Å; W61-V224 HydrophobicContact CH2-CG2 4.28Å; W61-V224 HydrophobicContact CZ3-CB 4.15Å; W61-V224 HydrophobicContact CZ3-CG1 3.52Å; W61-V224 HydrophobicContact CZ3-CG2 3.53Å |
| 62 | I | 97.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.1 | -173.1 | -56.3 | 172.3 | 0 | 0 | 0 | 108.3 | I13 V15 T27 F30 M31 T46 Y47 L60 F166 | I13-I62 HydrophobicContact CB-CG1 4.32Å; I13-I62 HydrophobicContact CD1-CG1 4.46Å; I13-I62 CarbonylContact O-C 3.59Å; I13-I62 WeakPolarHBondContact O-CA 3.44Å; V15-I62 HydrophobicContact CG2-CG2 3.73Å; T27-I62 HydrophobicContact CG2-CG2 3.87Å; F30-I62 HydrophobicContact CD1-CD1 3.26Å; F30-I62 HydrophobicContact CE1-CD1 3.38Å; F30-I62 HydrophobicContact CG-CD1 4.4Å; M31-I62 HydrophobicContact SD-CD1 4.08Å; T46-I62 CarbonylContact C-O 3.59Å; T46-I62 WeakPolarHBondContact CA-O 3.2Å; Y47-I62 PolarHBondContact N-O 2.8Å; Y47-I62 PolarHBondContact O-N 2.82Å; L60-I62 HydrophobicContact CB-CG1 4.39Å; I62-F166 HydrophobicContact CD1-CD1 4.09Å; I62-F166 HydrophobicContact CD1-CE1 3.52Å; I62-F166 HydrophobicContact CD1-CZ 4.18Å; I62-F166 HydrophobicContact CG1-CE1 4.13Å; I62-F166 HydrophobicContact CG2-CE1 4.49Å |
| 63 | M | 96.3 | Very high | 87.2 | Confident | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 113.9 | 175.8 | -176.8 | -174.4 | -68.8 | 0 | 0 | 109.1 | I13 V15 D45 T65 W79 | I13-M63 PolarHBondContact O-N 3.35Å; V15-M63 PolarHBondContact N-O 3.49Å; D45-M63 WeakPolarHBondContact O-CA 3.18Å; M63-T65 HydrophobicContact CG-CG2 3.83Å; M63-T65 HydrophobicContact SD-CG2 3.86Å; M63-W79 HydrophobicContact CB-CE3 4.21Å; M63-W79 HydrophobicContact CB-CH2 3.76Å; M63-W79 HydrophobicContact CB-CZ2 4.49Å; M63-W79 HydrophobicContact CB-CZ3 3.58Å; M63-W79 HydrophobicContact CE-CB 4.41Å; M63-W79 HydrophobicContact CE-CD2 3.44Å; M63-W79 VanDerWaalsContact CE-CD2 3.44Å; M63-W79 HydrophobicContact CE-CE3 3.64Å; M63-W79 HydrophobicContact CE-CG 3.82Å; M63-W79 HydrophobicContact CE-CH2 4.37Å; M63-W79 HydrophobicContact CE-CZ2 4.2Å; M63-W79 HydrophobicContact CE-CZ3 4.1Å; M63-W79 HydrophobicContact SD-CE3 4.4Å |
| 64 | D | 94.6 | Very high | 86.8 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 115.6 | 165.9 | -170.4 | 26.1 | 0 | 0 | 0 | 107.9 | K23 S24 T27 E44 D45 Y47 | K23-D64 WeakPolarHBondContact CB-OD1 3.39Å; S24-D64 WeakPolarHBondContact CA-OD2 3.28Å; S24-D64 WeakPolarHBondContact CB-OD2 3.47Å; S24-D64 PolarHBondContact N-OD1 2.78Å; S24-D64 PolarHBondContact OG-OD1 2.92Å; S24-D64 PolarHBondContact OG-OD2 3.05Å; T27-D64 HydrophobicContact CG2-CB 4.23Å; E44-D64 VanDerWaalsContact CA-O 3.31Å; E44-D64 WeakPolarHBondContact CA-O 3.31Å; D45-D64 PolarHBondContact N-O 3Å; D45-D64 VanDerWaalsContact N-O 3.11Å; D45-D64 PolarHBondContact O-N 3.41Å; Y47-D64 HydrophobicContact CD2-CB 4.48Å; Y47-D64 HydrophobicContact CE2-CB 3.95Å |
| 65 | T | 93.2 | Very high | 86.8 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.043 | 30% | 0.297 | C | S | . | . | trans | -96.9 | 151.4 | -170.9 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | V15 V16 K23 M63 Y76 | V15-T65 WeakPolarHBondContact O-CB 3.37Å; V15-T65 WeakPolarHBondContact O-CG2 3.49Å; V15-T65 PolarHBondContact O-N 3.48Å; V15-T65 PolarHBondContact O-OG1 3.37Å; V16-T65 WeakPolarHBondContact CA-OG1 3.48Å; V16-T65 HydrophobicContact CG1-CG2 3.88Å; K23-T65 WeakPolarHBondContact CE-O 3.48Å; M63-T65 HydrophobicContact CG-CG2 3.83Å; M63-T65 HydrophobicContact SD-CG2 3.86Å; T65-Y76 HydrophobicContact CG2-CD1 4Å; T65-Y76 HydrophobicContact CG2-CG 4.45Å | ||
| 66 | V | 89.1 | Confident | 87 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | trans | -116.2 | 136.3 | 168.6 | 68.1 | 0 | 0 | 0 | 0 | 108.6 | V41 E44 R75 | V41-V66 WeakPolarHBondContact O-CG2 3.44Å; E44-V66 HydrophobicContact CB-CB 4.29Å; E44-V66 HydrophobicContact CB-CG1 3.66Å; V66-R75 PolarHBondContact O-NH2 3.09Å | ||
| 67 | E | 78.8 | Confident | 87.1 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 34% | 0.341 | 24% | 0.24 | S | C | . | . | trans | -84.7 | 120.1 | 166.7 | -158.5 | 59.7 | -112.3 | 0 | 0 | 108.7 | R75 Y97 | E67-R75 IonicContact OE1-NH1 3.77Å; E67-Y97 VanDerWaalsContact CG-OH 3.29Å; E67-Y97 WeakPolarHBondContact CG-OH 3.48Å; E67-Y97 PolarHBondContact OE2-OH 2.69Å | ||
| 68 | Q | 75.1 | Confident | 86.8 | Confident | 113 Ų | 113 | 40.2 Ų | 40.2 | 53% | 0.528 | 23% | 0.233 | S | C | . | . | trans | -137.9 | 137.5 | 178.8 | -174 | -180 | 20.5 | 0 | 0 | 108.6 | G70 K71 | Q68-G70 PolarHBondContact O-N 3.05Å; Q68-K71 HydrophobicContact CB-CD 4.15Å; Q68-K71 HydrophobicContact CB-CG 4.3Å; Q68-K71 WeakPolarHBondContact O-CB 3.38Å; Q68-K71 PolarHBondContact O-N 3.49Å | ||
| 69 | D | 71.4 | Confident | 86.7 | Confident | 169 Ų | 169 | 40.3 Ų | 40.3 | 90% | 0.904 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | 125.3 | 176.7 | -64.3 | -33.8 | 0 | 0 | 0 | 111.4 | ||
| 70 | G | 71 | Confident | 86.6 | Confident | 87 Ų | 87 | 38.3 Ų | 38.3 | 90% | 0.897 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | -7.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q68 S72 | Q68-G70 PolarHBondContact O-N 3.05Å; G70-S72 PolarHBondContact O-N 3.36Å |
| 71 | K | 75.9 | Confident | 86.5 | Confident | 64 Ų | 64 | 38.8 Ų | 38.8 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | trans | -86.8 | 105.9 | 171.8 | -69.3 | -168.4 | 176.2 | -173.1 | 0 | 111 | E44 Q68 R75 | E44-K71 IonicContact OE1-NZ 2.58Å; E44-K71 PolarHBondContact OE1-NZ 2.86Å; Q68-K71 HydrophobicContact CB-CD 4.15Å; Q68-K71 HydrophobicContact CB-CG 4.3Å; Q68-K71 WeakPolarHBondContact O-CB 3.38Å; Q68-K71 PolarHBondContact O-N 3.49Å; K71-R75 VanDerWaalsContact CB-NH1 3.33Å; K71-R75 PolarHBondContact O-NH1 3.22Å | ||
| 72 | S | 82 | Confident | 86.5 | Confident | 65 Ų | 65 | 36.8 Ų | 36.8 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | trans | -63.2 | 138.9 | 174.4 | 177.2 | 0 | 0 | 0 | 0 | 112 | G70 S74 R75 | G70-S72 PolarHBondContact O-N 3.36Å; S72-S74 VanDerWaalsContact CB-OG 3.3Å; S72-S74 WeakPolarHBondContact CB-OG 3.27Å; S72-S74 PolarHBondContact O-N 3.31Å; S72-S74 WeakPolarHBondContact OG-CB 3.37Å; S72-S74 PolarHBondContact OG-N 3.16Å; S72-S74 PolarHBondContact OG-OG 3.01Å; S72-R75 WeakPolarHBondContact O-CB 3.3Å; S72-R75 VanDerWaalsContact O-CD 3.23Å; S72-R75 WeakPolarHBondContact O-CD 3.39Å; S72-R75 WeakPolarHBondContact O-CG 3.26Å; S72-R75 PolarHBondContact O-N 2.73Å | ||
| 73 | S | 84.7 | Confident | 86.4 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -29.9 | 168.5 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | R75 Y76 I77 E104 | S73-R75 PolarHBondContact O-N 3.21Å; S73-Y76 WeakPolarHBondContact CB-OH 3.06Å; S73-Y76 VanDerWaalsContact O-CD2 3.28Å; S73-Y76 WeakPolarHBondContact O-CD2 3.29Å; S73-Y76 WeakPolarHBondContact O-CE2 3.39Å; S73-Y76 PolarHBondContact O-N 3.42Å; S73-I77 WeakPolarHBondContact O-CG1 3.39Å; S73-I77 PolarHBondContact O-N 2.97Å; S73-E104 VanDerWaalsContact CB-CD 3.46Å; S73-E104 WeakPolarHBondContact CB-OE1 3.5Å; S73-E104 WeakPolarHBondContact CB-OE2 3.44Å; S73-E104 PolarHBondContact OG-OE1 2.93Å |
| 74 | S | 83.5 | Confident | 86.5 | Confident | 55 Ų | 55 | 36.3 Ų | 36.3 | 39% | 0.385 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -50.3 | -28.7 | 177.3 | 61.2 | 0 | 0 | 0 | 0 | 113 | S72 Y76 I77 S78 | S72-S74 VanDerWaalsContact CB-OG 3.3Å; S72-S74 WeakPolarHBondContact CB-OG 3.27Å; S72-S74 PolarHBondContact O-N 3.31Å; S72-S74 WeakPolarHBondContact OG-CB 3.37Å; S72-S74 PolarHBondContact OG-N 3.16Å; S72-S74 PolarHBondContact OG-OG 3.01Å; S74-Y76 PolarHBondContact O-N 3.05Å; S74-I77 PolarHBondContact O-N 2.88Å; S74-S78 VanDerWaalsContact O-CB 3.31Å; S74-S78 WeakPolarHBondContact O-CB 3.33Å; S74-S78 PolarHBondContact O-N 2.85Å; S74-S78 PolarHBondContact O-OG 3.2Å |
| 75 | R | 86.3 | Confident | 86.7 | Confident | 52 Ų | 52 | 36.1 Ų | 36.1 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.4 | -44.1 | 176.9 | 77.4 | -167.8 | -167.4 | -101.3 | -0.8 | 113.1 | E44 V66 E67 K71 S72 S73 W79 | E44-R75 IonicContact OE1-NE 3.9Å; E44-R75 IonicContact OE2-CZ 3.62Å; E44-R75 IonicContact OE2-NE 2.96Å; E44-R75 PolarHBondContact OE2-NE 2.94Å; E44-R75 IonicContact OE2-NH2 3.64Å; E44-R75 PolarHBondContact OE2-NH2 2.8Å; V66-R75 PolarHBondContact O-NH2 3.09Å; E67-R75 IonicContact OE1-NH1 3.77Å; K71-R75 VanDerWaalsContact CB-NH1 3.33Å; K71-R75 PolarHBondContact O-NH1 3.22Å; S72-R75 WeakPolarHBondContact O-CB 3.3Å; S72-R75 VanDerWaalsContact O-CD 3.23Å; S72-R75 WeakPolarHBondContact O-CD 3.39Å; S72-R75 WeakPolarHBondContact O-CG 3.26Å; S72-R75 PolarHBondContact O-N 2.73Å; S73-R75 PolarHBondContact O-N 3.21Å; R75-W79 WeakPolarHBondContact O-CB 3.41Å |
| 76 | Y | 88.9 | Confident | 87 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -96.2 | -28.6 | 178.8 | 55.2 | -112.7 | 0 | 0 | 0 | 111.4 | V16 T65 S73 S74 W79 A80 F83 L101 | V16-Y76 HydrophobicContact CG1-CD1 4.25Å; V16-Y76 HydrophobicContact CG1-CD2 4Å; V16-Y76 HydrophobicContact CG1-CE1 4.15Å; V16-Y76 HydrophobicContact CG1-CE2 3.91Å; V16-Y76 HydrophobicContact CG1-CG 4.18Å; T65-Y76 HydrophobicContact CG2-CD1 4Å; T65-Y76 HydrophobicContact CG2-CG 4.45Å; S73-Y76 WeakPolarHBondContact CB-OH 3.06Å; S73-Y76 VanDerWaalsContact O-CD2 3.28Å; S73-Y76 WeakPolarHBondContact O-CD2 3.29Å; S73-Y76 WeakPolarHBondContact O-CE2 3.39Å; S73-Y76 PolarHBondContact O-N 3.42Å; S74-Y76 PolarHBondContact O-N 3.05Å; Y76-W79 PolarHBondContact O-N 3.08Å; Y76-W79 VanDerWaalsContact O-N 3.08Å; Y76-A80 PolarHBondContact O-N 3.27Å; Y76-F83 HydrophobicContact CD2-CD1 4.5Å; Y76-F83 AromaticContact CD2-CE1 3.81Å; Y76-F83 HydrophobicContact CD2-CE1 3.81Å; Y76-L101 WeakPolarHBondContact OH-CD2 3.46Å |
| 77 | I | 88.8 | Confident | 87.4 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.1 | -49.9 | 177 | -64.1 | 171 | 0 | 0 | 0 | 110.3 | S73 S74 W79 F83 E104 I105 H108 H117 | S73-I77 WeakPolarHBondContact O-CG1 3.39Å; S73-I77 PolarHBondContact O-N 2.97Å; S74-I77 PolarHBondContact O-N 2.88Å; I77-W79 PolarHBondContact O-N 2.66Å; I77-F83 HydrophobicContact CB-CZ 4.47Å; I77-F83 HydrophobicContact CG1-CZ 4.46Å; I77-E104 HydrophobicContact CD1-CG 3.99Å; I77-I105 HydrophobicContact CD1-CG1 4.48Å; I77-I105 HydrophobicContact CG1-CG1 4.37Å; I77-H108 HydrophobicContact CG2-CB 4.15Å; I77-H108 WeakPolarHBondContact CG2-CD2 3.25Å; I77-H117 PolarHBondContact O-CE1 3.47Å; I77-H117 PolarHBondContact O-NE2 3.21Å |
| 78 | S | 85.6 | Confident | 88.4 | Confident | 44 Ų | 44 | 32.2 Ų | 32.2 | 31% | 0.308 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -9.2 | 177.5 | -63.2 | 0 | 0 | 0 | 0 | 113.8 | S74 R115 | S74-S78 VanDerWaalsContact O-CB 3.31Å; S74-S78 WeakPolarHBondContact O-CB 3.33Å; S74-S78 PolarHBondContact O-N 2.85Å; S74-S78 PolarHBondContact O-OG 3.2Å; S78-R115 PolarHBondContact O-NH2 3.2Å |
| 79 | W | 89.7 | Confident | 89.5 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -44 | -176.6 | -179.6 | 93.6 | 0 | 0 | 0 | 111.4 | H12 I13 T46 W61 M63 R75 Y76 I77 R115 R218 S221 | H12-W79 HydrophobicContact CB-CD2 4.33Å; H12-W79 HydrophobicContact CB-CE3 4.05Å; H12-W79 HydrophobicContact CB-CH2 3.82Å; H12-W79 HydrophobicContact CB-CZ2 4.11Å; H12-W79 HydrophobicContact CB-CZ3 3.8Å; H12-W79 AromaticContact CD2-CE2 3.98Å; H12-W79 AromaticContact CD2-CZ2 3.63Å; I13-W79 WeakPolarHBondContact O-CZ3 3.27Å; T46-W79 HydrophobicContact CG2-CH2 4.16Å; T46-W79 HydrophobicContact CG2-CZ2 3.78Å; W61-W79 HydrophobicContact CB-CH2 3.88Å; W61-W79 HydrophobicContact CB-CZ2 3.88Å; W61-W79 WeakPolarHBondContact O-CH2 3.45Å; M63-W79 HydrophobicContact CB-CE3 4.21Å; M63-W79 HydrophobicContact CB-CH2 3.76Å; M63-W79 HydrophobicContact CB-CZ2 4.49Å; M63-W79 HydrophobicContact CB-CZ3 3.58Å; M63-W79 HydrophobicContact CE-CB 4.41Å; M63-W79 HydrophobicContact CE-CD2 3.44Å; M63-W79 VanDerWaalsContact CE-CD2 3.44Å; M63-W79 HydrophobicContact CE-CE3 3.64Å; M63-W79 HydrophobicContact CE-CG 3.82Å; M63-W79 HydrophobicContact CE-CH2 4.37Å; M63-W79 HydrophobicContact CE-CZ2 4.2Å; M63-W79 HydrophobicContact CE-CZ3 4.1Å; M63-W79 HydrophobicContact SD-CE3 4.4Å; R75-W79 WeakPolarHBondContact O-CB 3.41Å; Y76-W79 PolarHBondContact O-N 3.08Å; Y76-W79 VanDerWaalsContact O-N 3.08Å; I77-W79 PolarHBondContact O-N 2.66Å; W79-R115 PolarHBondContact O-NH1 3.2Å; W79-R115 VanDerWaalsContact O-NH1 3.16Å; W79-R218 PolarHBondContact O-NH2 2.94Å; W79-S221 PolarHBondContact NE1-OG 3.2Å |
| 80 | A | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -81.4 | 146.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A14 Y76 F83 H117 | A14-A80 HydrophobicContact CB-CB 3.64Å; Y76-A80 PolarHBondContact O-N 3.27Å; A80-F83 HydrophobicContact CB-CD1 4.25Å; A80-F83 HydrophobicContact CB-CE1 3.6Å; A80-F83 HydrophobicContact CB-CE2 4.22Å; A80-F83 HydrophobicContact CB-CZ 3.55Å; A80-H117 PolarHBondContact O-CE1 3.14Å; A80-H117 VanDerWaalsContact O-CE1 3.23Å; A80-H117 PolarHBondContact O-ND1 3.43Å | ||
| 81 | D | 92.9 | Very high | 92.1 | Very high | 11 Ų | 11 | 18.1 Ų | 18.1 | 6% | 0.059 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -90.8 | -32.6 | 165.4 | -56.3 | -63.9 | 0 | 0 | 0 | 110.7 | I11 H12 R115 M118 R177 | I11-D81 HydrophobicContact CG2-CB 4.22Å; H12-D81 WeakPolarHBondContact CB-OD2 3.47Å; H12-D81 IonicContact CG-OD2 3.69Å; H12-D81 PolarHBondContact N-OD2 3.23Å; H12-D81 IonicContact ND1-OD2 3.16Å; H12-D81 PolarHBondContact ND1-OD2 3.28Å; H12-D81 VanDerWaalsContact ND1-OD2 3.16Å; H12-D81 WeakPolarHBondContact O-CA 3.42Å; H12-D81 WeakPolarHBondContact O-CB 3.41Å; H12-D81 PolarHBondContact O-N 2.98Å; D81-R115 IonicContact OD1-NH1 3.67Å; D81-M118 PolarHBondContact O-N 3.16Å; D81-R177 IonicContact OD1-NH2 2.88Å; D81-R177 PolarHBondContact OD1-NH2 3.44Å; D81-R177 IonicContact OD2-NH2 2.95Å; D81-R177 PolarHBondContact OD2-NH2 3.42Å |
| 82 | I | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.8 | -178.1 | -53.1 | 177.2 | 0 | 0 | 0 | 109.5 | I11 H12 I13 A14 L84 M118 L169 | I11-I82 HydrophobicContact CG2-CD1 3.61Å; I11-I82 HydrophobicContact CG2-CG1 4.04Å; H12-I82 PolarHBondContact O-N 3.18Å; I13-I82 CarbonylContact C-O 3.51Å; I13-I82 VanDerWaalsContact CA-O 3.32Å; I13-I82 WeakPolarHBondContact CA-O 3.46Å; I13-I82 HydrophobicContact CD1-CD1 4.42Å; I13-I82 HydrophobicContact CG1-CB 4.21Å; I13-I82 HydrophobicContact CG1-CD1 4.28Å; I13-I82 HydrophobicContact CG2-CB 4.39Å; I13-I82 HydrophobicContact CG2-CG2 4.45Å; A14-I82 PolarHBondContact N-O 3.26Å; I82-L84 HydrophobicContact CG2-CD2 4.01Å; I82-M118 CarbonylContact C-O 3.6Å; I82-M118 VanDerWaalsContact CA-O 3.26Å; I82-M118 WeakPolarHBondContact CA-O 3.4Å; I82-M118 HydrophobicContact CB-CE 4.38Å; I82-M118 HydrophobicContact CD1-CE 3.58Å; I82-M118 HydrophobicContact CG1-CB 4.38Å; I82-M118 HydrophobicContact CG1-CE 3.74Å; I82-M118 HydrophobicContact CG2-CE 3.81Å; I82-L169 HydrophobicContact CD1-CB 4.33Å |
| 83 | F | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.7 | 168.2 | -65.8 | -77.5 | 0 | 0 | 0 | 110.8 | A14 Y76 I77 A80 L85 I105 H117 M118 V119 C120 | A14-F83 HydrophobicContact CB-CD1 3.8Å; A14-F83 HydrophobicContact CB-CE1 3.78Å; Y76-F83 HydrophobicContact CD2-CD1 4.5Å; Y76-F83 AromaticContact CD2-CE1 3.81Å; Y76-F83 HydrophobicContact CD2-CE1 3.81Å; I77-F83 HydrophobicContact CB-CZ 4.47Å; I77-F83 HydrophobicContact CG1-CZ 4.46Å; A80-F83 HydrophobicContact CB-CD1 4.25Å; A80-F83 HydrophobicContact CB-CE1 3.6Å; A80-F83 HydrophobicContact CB-CE2 4.22Å; A80-F83 HydrophobicContact CB-CZ 3.55Å; F83-L85 HydrophobicContact CB-CD1 3.51Å; F83-I105 HydrophobicContact CB-CD1 4.16Å; F83-I105 HydrophobicContact CD1-CD1 3.9Å; F83-I105 HydrophobicContact CD2-CD1 4.1Å; F83-I105 HydrophobicContact CD2-CG2 3.87Å; F83-I105 HydrophobicContact CE1-CD1 4.46Å; F83-I105 HydrophobicContact CE2-CG2 4.02Å; F83-I105 HydrophobicContact CG-CD1 3.75Å; F83-H117 HydrophobicContact CD2-CB 4.04Å; F83-H117 HydrophobicContact CE2-CB 3.8Å; F83-H117 AromaticContact CE2-CD2 3.97Å; F83-H117 AromaticContact CE2-CG 3.56Å; F83-H117 AromaticContact CE2-ND1 3.62Å; F83-M118 PolarHBondContact N-O 3.05Å; F83-V119 HydrophobicContact CD2-CG2 4.34Å; F83-C120 PolarHBondContact O-N 2.97Å |
| 84 | L | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 100 | 165.1 | -54.1 | -170.9 | 0 | 0 | 0 | 107.6 | I13 A14 V15 V16 L26 I82 L86 C120 I122 F166 L169 | I13-L84 HydrophobicContact CG2-CD1 3.75Å; I13-L84 HydrophobicContact CG2-CD2 4.33Å; I13-L84 HydrophobicContact CG2-CG 3.6Å; A14-L84 PolarHBondContact O-N 2.59Å; V15-L84 WeakPolarHBondContact CA-O 3.42Å; V15-L84 HydrophobicContact CG1-CB 4.49Å; V15-L84 HydrophobicContact CG2-CB 4.44Å; V15-L84 HydrophobicContact CG2-CD1 4.24Å; V16-L84 PolarHBondContact N-O 2.88Å; L26-L84 HydrophobicContact CD2-CD1 4.05Å; I82-L84 HydrophobicContact CG2-CD2 4.01Å; L84-L86 HydrophobicContact CB-CD1 3.92Å; L84-L86 WeakPolarHBondContact O-CD1 3.4Å; L84-C120 HydrophobicContact CD2-CB 4.03Å; L84-I122 HydrophobicContact CB-CD1 3.96Å; L84-I122 HydrophobicContact CD1-CD1 4.49Å; L84-I122 HydrophobicContact CD2-CD1 4.13Å; L84-I122 HydrophobicContact CG-CD1 4.4Å; L84-F166 HydrophobicContact CD1-CE1 3.8Å; L84-F166 HydrophobicContact CD1-CE2 4.18Å; L84-F166 HydrophobicContact CD1-CZ 3.58Å; L84-L169 HydrophobicContact CD2-CD1 3.28Å |
| 85 | L | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 110.5 | 177.5 | -69.8 | 88.5 | 0 | 0 | 0 | 109.2 | V16 F83 L101 L102 I105 V119 C120 L121 I122 | V16-L85 HydrophobicContact CG2-CB 4.39Å; V16-L85 HydrophobicContact CG2-CD1 4.43Å; V16-L85 HydrophobicContact CG2-CD2 4.47Å; V16-L85 HydrophobicContact CG2-CG 3.68Å; V16-L85 WeakPolarHBondContact O-CA 3.24Å; F83-L85 HydrophobicContact CB-CD1 3.51Å; L85-L101 HydrophobicContact CD2-CB 3.7Å; L85-L102 HydrophobicContact CD1-CD2 4.2Å; L85-L102 HydrophobicContact CD2-CD2 3.63Å; L85-L102 HydrophobicContact CD2-CG 3.71Å; L85-L102 HydrophobicContact CG-CD2 4.48Å; L85-I105 HydrophobicContact CD1-CD1 4.03Å; L85-I105 HydrophobicContact CD2-CD1 4.09Å; L85-I105 HydrophobicContact CG-CD1 4.33Å; L85-V119 HydrophobicContact CD1-CG1 3.42Å; L85-V119 VanDerWaalsContact CD1-CG1 3.42Å; L85-C120 PolarHBondContact N-O 3.35Å; L85-L121 HydrophobicContact CB-CD1 4.21Å; L85-I122 PolarHBondContact O-N 2.95Å |
| 86 | L | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.9 | -178.1 | -82.3 | 69.8 | 0 | 0 | 0 | 111.2 | V15 V16 G17 S21 L26 L84 I122 | V15-L86 HydrophobicContact CG1-CD1 3.82Å; V15-L86 HydrophobicContact CG1-CD2 4.48Å; V16-L86 PolarHBondContact O-N 3.03Å; G17-L86 WeakPolarHBondContact CA-O 3.4Å; S21-L86 WeakPolarHBondContact CB-O 3Å; S21-L86 PolarHBondContact OG-O 3.34Å; L26-L86 HydrophobicContact CB-CD2 4.01Å; L26-L86 HydrophobicContact CD2-CD1 3.8Å; L26-L86 HydrophobicContact CD2-CD2 3.82Å; L26-L86 HydrophobicContact CD2-CG 4.3Å; L84-L86 HydrophobicContact CB-CD1 3.92Å; L84-L86 WeakPolarHBondContact O-CD1 3.4Å; L86-I122 WeakPolarHBondContact CA-O 3.01Å; L86-I122 HydrophobicContact CD1-CB 4.27Å; L86-I122 HydrophobicContact CD1-CD1 3.94Å; L86-I122 HydrophobicContact CG-CB 4.2Å; L86-I122 HydrophobicContact CG-CG2 4.34Å |
| 87 | Y | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 162.6 | 159.2 | 73.5 | -84.7 | 0 | 0 | 0 | 109.3 | V89 S94 F95 L121 I122 N124 V134 F150 | Y87-V89 HydrophobicContact CE2-CG1 4.1Å; Y87-S94 WeakPolarHBondContact CB-O 3.35Å; Y87-F95 AromaticContact CD1-CD2 3.93Å; Y87-F95 HydrophobicContact CD1-CD2 3.93Å; Y87-F95 HydrophobicContact CD2-CB 3.83Å; Y87-F95 AromaticContact CD2-CD2 3.72Å; Y87-F95 HydrophobicContact CD2-CD2 3.72Å; Y87-F95 HydrophobicContact CD2-CG 4.21Å; Y87-F95 AromaticContact CE1-CD2 3.89Å; Y87-F95 HydrophobicContact CE1-CD2 3.89Å; Y87-F95 HydrophobicContact CE1-CE2 4.18Å; Y87-F95 HydrophobicContact CE2-CB 4.44Å; Y87-F95 AromaticContact CE2-CD2 3.7Å; Y87-F95 HydrophobicContact CE2-CD2 3.7Å; Y87-F95 HydrophobicContact CE2-CE2 4.34Å; Y87-F95 HydrophobicContact CE2-CG 4.41Å; Y87-F95 HydrophobicContact CG-CB 4.14Å; Y87-F95 AromaticContact CG-CD2 3.83Å; Y87-F95 HydrophobicContact CG-CD2 3.83Å; Y87-F95 AromaticContact CZ-CD2 3.78Å; Y87-L121 HydrophobicContact CD1-CD1 3.78Å; Y87-L121 HydrophobicContact CD1-CG 4.19Å; Y87-L121 HydrophobicContact CE1-CD1 4.05Å; Y87-L121 HydrophobicContact CE1-CD2 4.25Å; Y87-L121 HydrophobicContact CE1-CG 3.93Å; Y87-I122 WeakPolarHBondContact CD1-O 3.46Å; Y87-I122 PolarHBondContact N-O 2.83Å; Y87-N124 WeakPolarHBondContact O-CB 3.4Å; Y87-N124 PolarHBondContact O-N 2.46Å; Y87-V134 HydrophobicContact CE2-CB 4.01Å; Y87-V134 HydrophobicContact CE2-CG1 3.77Å; Y87-V134 HydrophobicContact CE2-CG2 4.5Å; Y87-F150 HydrophobicContact CE1-CE2 4.3Å |
| 88 | S | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 128.8 | 173.2 | 169.1 | 0 | 0 | 0 | 0 | 108.8 | T90 D91 S94 K125 | S88-T90 PolarHBondContact O-N 3.36Å; S88-T90 PolarHBondContact OG-OG1 3.16Å; S88-D91 PolarHBondContact O-N 3.43Å; S88-D91 VanDerWaalsContact O-O 3.14Å; S88-S94 PolarHBondContact N-OG 3.28Å; S88-S94 PolarHBondContact O-OG 2.92Å; S88-K125 VanDerWaalsContact OG-CD 3.29Å; S88-K125 WeakPolarHBondContact OG-CD 3.25Å; S88-K125 WeakPolarHBondContact OG-CE 3.47Å; S88-K125 PolarHBondContact OG-NZ 2.9Å; S88-K125 VanDerWaalsContact OG-NZ 3.13Å |
| 89 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.3 | -179.8 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | Y87 N124 K125 R132 E133 V134 | Y87-V89 HydrophobicContact CE2-CG1 4.1Å; V89-N124 WeakPolarHBondContact CG1-O 3.48Å; V89-N124 WeakPolarHBondContact CG2-O 3.44Å; V89-N124 PolarHBondContact N-O 3.12Å; V89-K125 VanDerWaalsContact CG2-O 3.23Å; V89-K125 WeakPolarHBondContact CG2-O 3.48Å; V89-R132 HydrophobicContact CB-CG 4.47Å; V89-E133 PolarHBondContact O-N 2.75Å; V89-V134 PolarHBondContact O-N 2.87Å |
| 90 | T | 98.5 | Very high | 97.6 | Very high | 26 Ų | 26 | 28.9 Ų | 28.9 | 16% | 0.16 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 11.9 | 177.9 | 74 | 0 | 0 | 0 | 0 | 113.7 | S88 L128 Y131 | S88-T90 PolarHBondContact O-N 3.36Å; S88-T90 PolarHBondContact OG-OG1 3.16Å; T90-L128 HydrophobicContact CG2-CB 3.48Å; T90-L128 VanDerWaalsContact CG2-CB 3.48Å; T90-L128 HydrophobicContact CG2-CD1 4Å; T90-L128 HydrophobicContact CG2-CG 4.38Å; T90-Y131 VanDerWaalsContact CA-O 3.23Å; T90-Y131 WeakPolarHBondContact CA-O 3.35Å; T90-Y131 VanDerWaalsContact CB-O 3.22Å; T90-Y131 WeakPolarHBondContact CB-O 3.41Å; T90-Y131 WeakPolarHBondContact CG2-O 3.47Å |
| 91 | D | 98.5 | Very high | 97.6 | Very high | 47 Ų | 47 | 29.3 Ų | 29.3 | 25% | 0.251 | 14% | 0.144 | S | C | . | . | trans | -146.4 | 98.8 | -174.3 | 175.4 | -8 | 0 | 0 | 0 | 108.7 | S88 D93 S94 F95 | S88-D91 PolarHBondContact O-N 3.43Å; S88-D91 VanDerWaalsContact O-O 3.14Å; D91-D93 VanDerWaalsContact C-N 3.28Å; D91-D93 PolarHBondContact O-N 2.92Å; D91-D93 WeakPolarHBondContact OD1-CB 3.48Å; D91-D93 PolarHBondContact OD1-N 3.42Å; D91-S94 PolarHBondContact O-N 3.32Å; D91-S94 PolarHBondContact O-OG 2.85Å; D91-S94 PolarHBondContact OD1-N 3.04Å; D91-S94 WeakPolarHBondContact OD2-CB 3.34Å; D91-F95 PolarHBondContact O-N 3.28Å | ||
| 92 | K | 98.4 | Very high | 97.7 | Very high | 100 Ų | 100 | 28.9 Ų | 28.9 | 44% | 0.435 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62.7 | -34.1 | -179.9 | -169 | -177.1 | 177.1 | -110.6 | 0 | 112.6 | S94 F95 E96 E133 V134 | K92-S94 VanDerWaalsContact C-N 3.31Å; K92-S94 PolarHBondContact O-N 3.43Å; K92-F95 WeakPolarHBondContact O-CB 3.3Å; K92-F95 PolarHBondContact O-N 3.05Å; K92-E96 WeakPolarHBondContact CE-OE1 3.5Å; K92-E96 IonicContact NZ-OE1 2.74Å; K92-E96 PolarHBondContact NZ-OE1 3.14Å; K92-E96 PolarHBondContact O-N 3.16Å; K92-E133 HydrophobicContact CB-CB 4.36Å; K92-E133 PolarHBondContact N-OE2 3.41Å; K92-V134 HydrophobicContact CB-CG2 4.4Å; K92-V134 HydrophobicContact CG-CG2 4.48Å |
| 93 | D | 98.4 | Very high | 97.6 | Very high | 120 Ų | 120 | 33.2 Ų | 33.2 | 64% | 0.642 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -65.9 | -38.4 | 179.6 | -64 | -21.8 | 0 | 0 | 0 | 110.4 | D91 F95 E96 Y97 | D91-D93 VanDerWaalsContact C-N 3.28Å; D91-D93 PolarHBondContact O-N 2.92Å; D91-D93 WeakPolarHBondContact OD1-CB 3.48Å; D91-D93 PolarHBondContact OD1-N 3.42Å; D93-F95 PolarHBondContact O-N 2.93Å; D93-E96 PolarHBondContact O-N 3.17Å; D93-Y97 WeakPolarHBondContact O-CB 3.46Å; D93-Y97 PolarHBondContact O-N 3.27Å |
| 94 | S | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -28.7 | 173.5 | 79.2 | 0 | 0 | 0 | 0 | 113.5 | Y87 S88 D91 K92 A98 | Y87-S94 WeakPolarHBondContact CB-O 3.35Å; S88-S94 PolarHBondContact N-OG 3.28Å; S88-S94 PolarHBondContact O-OG 2.92Å; D91-S94 PolarHBondContact O-N 3.32Å; D91-S94 PolarHBondContact O-OG 2.85Å; D91-S94 PolarHBondContact OD1-N 3.04Å; D91-S94 WeakPolarHBondContact OD2-CB 3.34Å; K92-S94 VanDerWaalsContact C-N 3.31Å; K92-S94 PolarHBondContact O-N 3.43Å; S94-A98 PolarHBondContact O-N 3.03Å; S94-A98 VanDerWaalsContact O-N 3.08Å |
| 95 | F | 98.7 | Very high | 97 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -77.6 | -42.7 | 177.3 | 177.1 | -111 | 0 | 0 | 0 | 112 | Y87 D91 K92 D93 Y97 A98 E99 V134 Q138 M142 | Y87-F95 AromaticContact CD1-CD2 3.93Å; Y87-F95 HydrophobicContact CD1-CD2 3.93Å; Y87-F95 HydrophobicContact CD2-CB 3.83Å; Y87-F95 AromaticContact CD2-CD2 3.72Å; Y87-F95 HydrophobicContact CD2-CD2 3.72Å; Y87-F95 HydrophobicContact CD2-CG 4.21Å; Y87-F95 AromaticContact CE1-CD2 3.89Å; Y87-F95 HydrophobicContact CE1-CD2 3.89Å; Y87-F95 HydrophobicContact CE1-CE2 4.18Å; Y87-F95 HydrophobicContact CE2-CB 4.44Å; Y87-F95 AromaticContact CE2-CD2 3.7Å; Y87-F95 HydrophobicContact CE2-CD2 3.7Å; Y87-F95 HydrophobicContact CE2-CE2 4.34Å; Y87-F95 HydrophobicContact CE2-CG 4.41Å; Y87-F95 HydrophobicContact CG-CB 4.14Å; Y87-F95 AromaticContact CG-CD2 3.83Å; Y87-F95 HydrophobicContact CG-CD2 3.83Å; Y87-F95 AromaticContact CZ-CD2 3.78Å; D91-F95 PolarHBondContact O-N 3.28Å; K92-F95 WeakPolarHBondContact O-CB 3.3Å; K92-F95 PolarHBondContact O-N 3.05Å; D93-F95 PolarHBondContact O-N 2.93Å; F95-Y97 VanDerWaalsContact C-N 3.29Å; F95-Y97 PolarHBondContact O-N 3.29Å; F95-A98 PolarHBondContact O-N 3.18Å; F95-E99 PolarHBondContact O-N 2.94Å; F95-V134 HydrophobicContact CB-CG1 4.48Å; F95-V134 HydrophobicContact CB-CG2 3.76Å; F95-V134 HydrophobicContact CD1-CG1 3.97Å; F95-V134 HydrophobicContact CD1-CG2 4.11Å; F95-V134 HydrophobicContact CD2-CG1 3.8Å; F95-V134 HydrophobicContact CE1-CG1 4Å; F95-V134 HydrophobicContact CE2-CG1 3.85Å; F95-V134 HydrophobicContact CG-CG1 3.84Å; F95-V134 HydrophobicContact CG-CG2 3.94Å; F95-V134 HydrophobicContact CZ-CG1 3.91Å; F95-Q138 HydrophobicContact CE1-CB 4.33Å; F95-Q138 HydrophobicContact CZ-CB 4.02Å; F95-M142 HydrophobicContact CD1-CE 3.78Å; F95-M142 HydrophobicContact CD2-CE 3.98Å; F95-M142 HydrophobicContact CD2-SD 4.04Å; F95-M142 HydrophobicContact CE1-CE 3.21Å; F95-M142 HydrophobicContact CE1-SD 4.39Å; F95-M142 HydrophobicContact CE2-CB 4.27Å; F95-M142 HydrophobicContact CE2-CE 3.43Å; F95-M142 VanDerWaalsContact CE2-CE 3.43Å; F95-M142 HydrophobicContact CE2-SD 3.48Å; F95-M142 WeakPolarHBondContact CE2-SD 3.49Å; F95-M142 HydrophobicContact CG-CE 4.16Å; F95-M142 HydrophobicContact CZ-CB 4.06Å; F95-M142 HydrophobicContact CZ-CE 3.04Å; F95-M142 HydrophobicContact CZ-SD 3.72Å |
| 96 | E | 98.3 | Very high | 96.6 | Very high | 83 Ų | 83 | 42.7 Ų | 42.7 | 39% | 0.388 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.1 | -39.1 | 172.1 | -66.8 | -178.9 | -173.2 | 0 | 0 | 111.2 | K92 D93 E99 N100 | K92-E96 WeakPolarHBondContact CE-OE1 3.5Å; K92-E96 IonicContact NZ-OE1 2.74Å; K92-E96 PolarHBondContact NZ-OE1 3.14Å; K92-E96 PolarHBondContact O-N 3.16Å; D93-E96 PolarHBondContact O-N 3.17Å; E96-E99 WeakPolarHBondContact O-CB 3.48Å; E96-E99 PolarHBondContact O-N 3.2Å; E96-N100 PolarHBondContact O-N 3.03Å; E96-N100 VanDerWaalsContact O-N 3.16Å; E96-N100 PolarHBondContact O-ND2 3.46Å |
| 97 | Y | 97.2 | Very high | 96 | Very high | 64 Ų | 64 | 45.6 Ų | 45.6 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60 | -45.8 | 172.1 | -173.6 | -87.3 | 0 | 0 | 0 | 112.2 | G17 A18 E67 D93 F95 E99 N100 L101 | G17-Y97 VanDerWaalsContact C-CE1 3.42Å; A18-Y97 HydrophobicContact CB-CD1 3.88Å; A18-Y97 HydrophobicContact CB-CG 3.9Å; A18-Y97 VanDerWaalsContact N-CD1 3.29Å; E67-Y97 VanDerWaalsContact CG-OH 3.29Å; E67-Y97 WeakPolarHBondContact CG-OH 3.48Å; E67-Y97 PolarHBondContact OE2-OH 2.69Å; D93-Y97 WeakPolarHBondContact O-CB 3.46Å; D93-Y97 PolarHBondContact O-N 3.27Å; F95-Y97 VanDerWaalsContact C-N 3.29Å; F95-Y97 PolarHBondContact O-N 3.29Å; Y97-E99 VanDerWaalsContact C-N 3.27Å; Y97-E99 PolarHBondContact O-N 3.36Å; Y97-N100 PolarHBondContact O-N 3.02Å; Y97-L101 HydrophobicContact CD1-CD1 3.93Å; Y97-L101 HydrophobicContact CD1-CG 4.24Å; Y97-L101 HydrophobicContact CE1-CD1 3.45Å; Y97-L101 VanDerWaalsContact CE1-CD1 3.45Å; Y97-L101 HydrophobicContact CE1-CD2 4.44Å; Y97-L101 HydrophobicContact CE1-CG 3.86Å; Y97-L101 PolarHBondContact O-N 3.21Å; Y97-L101 VanDerWaalsContact O-N 3.14Å |
| 98 | A | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -35.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | S94 F95 L101 L102 L121 | S94-A98 PolarHBondContact O-N 3.03Å; S94-A98 VanDerWaalsContact O-N 3.08Å; F95-A98 PolarHBondContact O-N 3.18Å; A98-L101 PolarHBondContact O-N 3Å; A98-L102 WeakPolarHBondContact O-CG 3.4Å; A98-L102 PolarHBondContact O-N 2.71Å; A98-L121 HydrophobicContact CB-CD1 4Å |
| 99 | E | 97.8 | Very high | 93.7 | Very high | 45 Ų | 45 | 51.3 Ų | 51.3 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 174.4 | -158 | -165.5 | -162.5 | 0 | 0 | 112.3 | F95 E96 Y97 L101 L102 K103 M142 Y146 | F95-E99 PolarHBondContact O-N 2.94Å; E96-E99 WeakPolarHBondContact O-CB 3.48Å; E96-E99 PolarHBondContact O-N 3.2Å; Y97-E99 VanDerWaalsContact C-N 3.27Å; Y97-E99 PolarHBondContact O-N 3.36Å; E99-L101 VanDerWaalsContact C-N 3.31Å; E99-L101 PolarHBondContact O-N 2.96Å; E99-L102 WeakPolarHBondContact O-CB 3.34Å; E99-L102 PolarHBondContact O-N 2.83Å; E99-L102 VanDerWaalsContact O-N 3.14Å; E99-K103 VanDerWaalsContact CD-NZ 3.33Å; E99-K103 WeakPolarHBondContact O-CG 3.37Å; E99-K103 PolarHBondContact O-N 3.38Å; E99-K103 IonicContact OE1-NZ 3.76Å; E99-K103 IonicContact OE2-NZ 2.83Å; E99-K103 PolarHBondContact OE2-NZ 3.16Å; E99-M142 HydrophobicContact CB-CE 3.58Å; E99-M142 HydrophobicContact CB-SD 3.84Å; E99-M142 HydrophobicContact CG-CE 3.67Å; E99-M142 HydrophobicContact CG-CG 4.27Å; E99-M142 HydrophobicContact CG-SD 3.97Å; E99-Y146 HydrophobicContact CG-CE2 3.84Å; E99-Y146 PolarHBondContact OE1-OH 3.35Å |
| 100 | N | 95.9 | Very high | 92.2 | Very high | 92 Ų | 92 | 55 Ų | 55 | 49% | 0.492 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 178.1 | -67.5 | -32 | 0 | 0 | 0 | 111.5 | E96 Y97 K103 E104 | E96-N100 PolarHBondContact O-N 3.03Å; E96-N100 VanDerWaalsContact O-N 3.16Å; E96-N100 PolarHBondContact O-ND2 3.46Å; Y97-N100 PolarHBondContact O-N 3.02Å; N100-K103 PolarHBondContact O-N 2.93Å; N100-E104 PolarHBondContact O-N 3.17Å |
| 101 | L | 94.7 | Very high | 90.3 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 172 | -72.1 | -178.4 | 0 | 0 | 0 | 112.7 | V16 Y76 L85 Y97 A98 E99 E104 I105 | V16-L101 HydrophobicContact CB-CD1 4.07Å; V16-L101 HydrophobicContact CG2-CD1 3.96Å; Y76-L101 WeakPolarHBondContact OH-CD2 3.46Å; L85-L101 HydrophobicContact CD2-CB 3.7Å; Y97-L101 HydrophobicContact CD1-CD1 3.93Å; Y97-L101 HydrophobicContact CD1-CG 4.24Å; Y97-L101 HydrophobicContact CE1-CD1 3.45Å; Y97-L101 VanDerWaalsContact CE1-CD1 3.45Å; Y97-L101 HydrophobicContact CE1-CD2 4.44Å; Y97-L101 HydrophobicContact CE1-CG 3.86Å; Y97-L101 PolarHBondContact O-N 3.21Å; Y97-L101 VanDerWaalsContact O-N 3.14Å; A98-L101 PolarHBondContact O-N 3Å; E99-L101 VanDerWaalsContact C-N 3.31Å; E99-L101 PolarHBondContact O-N 2.96Å; L101-E104 PolarHBondContact O-N 3.04Å; L101-I105 VanDerWaalsContact O-CG1 3.3Å; L101-I105 WeakPolarHBondContact O-CG1 3.46Å; L101-I105 PolarHBondContact O-N 2.77Å |
| 102 | L | 95.2 | Very high | 88.3 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 174.3 | -74.9 | 173 | 0 | 0 | 0 | 111.3 | L85 A98 E99 E104 I105 H106 V119 L121 M142 Y146 A148 | L85-L102 HydrophobicContact CD1-CD2 4.2Å; L85-L102 HydrophobicContact CD2-CD2 3.63Å; L85-L102 HydrophobicContact CD2-CG 3.71Å; L85-L102 HydrophobicContact CG-CD2 4.48Å; A98-L102 WeakPolarHBondContact O-CG 3.4Å; A98-L102 PolarHBondContact O-N 2.71Å; E99-L102 WeakPolarHBondContact O-CB 3.34Å; E99-L102 PolarHBondContact O-N 2.83Å; E99-L102 VanDerWaalsContact O-N 3.14Å; L102-E104 VanDerWaalsContact C-N 3.29Å; L102-E104 PolarHBondContact O-N 2.99Å; L102-I105 PolarHBondContact O-N 3.03Å; L102-H106 WeakPolarHBondContact O-CB 3.32Å; L102-H106 PolarHBondContact O-N 2.81Å; L102-V119 HydrophobicContact CD2-CG1 3.52Å; L102-L121 HydrophobicContact CD1-CD1 4.29Å; L102-L121 HydrophobicContact CD1-CD2 4.3Å; L102-M142 HydrophobicContact CD1-CG 3.76Å; L102-M142 HydrophobicContact CD1-SD 3.95Å; L102-Y146 HydrophobicContact CB-CD1 4.08Å; L102-Y146 HydrophobicContact CB-CD2 3.82Å; L102-Y146 HydrophobicContact CB-CE1 4.44Å; L102-Y146 HydrophobicContact CB-CE2 4.21Å; L102-Y146 HydrophobicContact CB-CG 3.77Å; L102-Y146 HydrophobicContact CD1-CD2 3.65Å; L102-Y146 HydrophobicContact CD1-CE2 4.28Å; L102-Y146 HydrophobicContact CD1-CG 4.2Å; L102-Y146 HydrophobicContact CG-CD2 4.3Å; L102-Y146 HydrophobicContact CG-CG 4.43Å; L102-A148 HydrophobicContact CD2-CB 4.25Å |
| 103 | K | 94 | Very high | 86.4 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 40% | 0.396 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 176.1 | -70.2 | 168.3 | -170.9 | 158.2 | 0 | 111.2 | E99 N100 G107 Y146 | E99-K103 VanDerWaalsContact CD-NZ 3.33Å; E99-K103 WeakPolarHBondContact O-CG 3.37Å; E99-K103 PolarHBondContact O-N 3.38Å; E99-K103 IonicContact OE1-NZ 3.76Å; E99-K103 IonicContact OE2-NZ 2.83Å; E99-K103 PolarHBondContact OE2-NZ 3.16Å; N100-K103 PolarHBondContact O-N 2.93Å; K103-G107 PolarHBondContact O-N 2.88Å; K103-Y146 HydrophobicContact CB-CE1 4.43Å; K103-Y146 WeakPolarHBondContact CE-OH 3.29Å; K103-Y146 HydrophobicContact CG-CE1 3.64Å; K103-Y146 VanDerWaalsContact CG-OH 3.25Å; K103-Y146 WeakPolarHBondContact CG-OH 3.42Å |
| 104 | E | 91.2 | Very high | 84.7 | Confident | 83 Ų | 83 | 56.8 Ų | 56.8 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66 | -47.3 | 179.4 | -177.3 | 171.8 | -150 | 0 | 0 | 112.6 | S73 I77 N100 L101 L102 G107 H108 | S73-E104 VanDerWaalsContact CB-CD 3.46Å; S73-E104 WeakPolarHBondContact CB-OE1 3.5Å; S73-E104 WeakPolarHBondContact CB-OE2 3.44Å; S73-E104 PolarHBondContact OG-OE1 2.93Å; I77-E104 HydrophobicContact CD1-CG 3.99Å; N100-E104 PolarHBondContact O-N 3.17Å; L101-E104 PolarHBondContact O-N 3.04Å; L102-E104 VanDerWaalsContact C-N 3.29Å; L102-E104 PolarHBondContact O-N 2.99Å; E104-G107 PolarHBondContact O-N 3.03Å; E104-H108 PolarHBondContact O-N 3.11Å |
| 105 | I | 91.2 | Very high | 83.4 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 178.8 | -65.8 | 165.7 | 0 | 0 | 0 | 110.7 | I77 F83 L85 L101 L102 H108 V119 | I77-I105 HydrophobicContact CD1-CG1 4.48Å; I77-I105 HydrophobicContact CG1-CG1 4.37Å; F83-I105 HydrophobicContact CB-CD1 4.16Å; F83-I105 HydrophobicContact CD1-CD1 3.9Å; F83-I105 HydrophobicContact CD2-CD1 4.1Å; F83-I105 HydrophobicContact CD2-CG2 3.87Å; F83-I105 HydrophobicContact CE1-CD1 4.46Å; F83-I105 HydrophobicContact CE2-CG2 4.02Å; F83-I105 HydrophobicContact CG-CD1 3.75Å; L85-I105 HydrophobicContact CD1-CD1 4.03Å; L85-I105 HydrophobicContact CD2-CD1 4.09Å; L85-I105 HydrophobicContact CG-CD1 4.33Å; L101-I105 VanDerWaalsContact O-CG1 3.3Å; L101-I105 WeakPolarHBondContact O-CG1 3.46Å; L101-I105 PolarHBondContact O-N 2.77Å; L102-I105 PolarHBondContact O-N 3.03Å; I105-H108 WeakPolarHBondContact O-CB 3.17Å; I105-H108 PolarHBondContact O-N 3.24Å; I105-V119 HydrophobicContact CG2-CG2 3.81Å |
| 106 | H | 89.1 | Confident | 82.3 | Confident | 112 Ų | 112 | 64.1 Ų | 64.1 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.6 | -36.1 | 179.6 | -173.2 | 81.6 | 0 | 0 | 0 | 112.5 | L102 H108 Y146 | L102-H106 WeakPolarHBondContact O-CB 3.32Å; L102-H106 PolarHBondContact O-N 2.81Å; H106-H108 VanDerWaalsContact C-N 3.3Å; H106-Y146 HydrophobicContact CB-CD1 4.07Å |
| 107 | G | 86.2 | Confident | 81.9 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 63% | 0.629 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -81.3 | -5.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | K103 E104 D109 | K103-G107 PolarHBondContact O-N 2.88Å; E104-G107 PolarHBondContact O-N 3.03Å; G107-D109 PolarHBondContact O-N 3.4Å |
| 108 | H | 81 | Confident | 81.7 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -63.8 | 127.5 | 178.6 | -176.9 | -82.4 | 0 | 0 | 0 | 110.2 | I77 E104 I105 H106 H110 C113 | I77-H108 HydrophobicContact CG2-CB 4.15Å; I77-H108 WeakPolarHBondContact CG2-CD2 3.25Å; E104-H108 PolarHBondContact O-N 3.11Å; I105-H108 WeakPolarHBondContact O-CB 3.17Å; I105-H108 PolarHBondContact O-N 3.24Å; H106-H108 VanDerWaalsContact C-N 3.3Å; H108-H110 PolarHBondContact O-N 3.48Å; H108-C113 PolarHBondContact CE1-SG 3.16Å; H108-C113 PolarHBondContact ND1-SG 3.37Å |
| 109 | D | 67.8 | Low | 81.7 | Confident | 86 Ų | 86 | 59.5 Ų | 59.5 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | trans | -69.1 | 107.1 | -179.8 | -173.5 | 3.7 | 0 | 0 | 0 | 111.1 | G107 S111 I112 C113 | G107-D109 PolarHBondContact O-N 3.4Å; D109-S111 PolarHBondContact O-N 3.38Å; D109-S111 WeakPolarHBondContact OD1-CB 3.43Å; D109-S111 PolarHBondContact OD1-N 3.14Å; D109-S111 PolarHBondContact OD1-OG 2.86Å; D109-S111 VanDerWaalsContact OD1-OG 3.05Å; D109-S111 PolarHBondContact OD2-OG 3.38Å; D109-I112 HydrophobicContact CB-CD1 4.18Å; D109-I112 HydrophobicContact CB-CG1 4.3Å; D109-I112 WeakPolarHBondContact O-CB 3.28Å; D109-I112 PolarHBondContact O-N 3.47Å; D109-C113 PolarHBondContact O-N 3.19Å | ||
| 110 | H | 67.5 | Low | 81.7 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -5.3 | 174.5 | -72.9 | -68.9 | 0 | 0 | 0 | 113.7 | H108 I112 C113 V114 R115 H117 | H108-H110 PolarHBondContact O-N 3.48Å; H110-I112 PolarHBondContact O-N 3.03Å; H110-C113 CarbonylContact C-O 3.54Å; H110-C113 VanDerWaalsContact CA-O 3.26Å; H110-C113 WeakPolarHBondContact CA-O 3.5Å; H110-C113 WeakPolarHBondContact CB-O 3.37Å; H110-C113 PolarHBondContact ND1-O 3.35Å; H110-C113 PolarHBondContact ND1-SG 2.86Å; H110-C113 VanDerWaalsContact ND1-SG 3.42Å; H110-C113 CarbonylContact O-C 3.57Å; H110-C113 PolarHBondContact O-N 2.83Å; H110-V114 PolarHBondContact O-N 2.67Å; H110-R115 PolarHBondContact CE1-O 2.93Å; H110-R115 PolarHBondContact ND1-O 3.14Å; H110-R115 VanDerWaalsContact ND1-O 3.15Å; H110-H117 AromaticContact CE1-CD2 3.37Å; H110-H117 PolarHBondContact CE1-CD2 3.44Å |
| 111 | S | 59 | Low | 81.8 | Confident | 90 Ų | 90 | 53 Ų | 53 | 63% | 0.629 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -29.1 | 165 | 88.2 | 0 | 0 | 0 | 0 | 111.7 | D109 | D109-S111 PolarHBondContact O-N 3.38Å; D109-S111 WeakPolarHBondContact OD1-CB 3.43Å; D109-S111 PolarHBondContact OD1-N 3.14Å; D109-S111 PolarHBondContact OD1-OG 2.86Å; D109-S111 VanDerWaalsContact OD1-OG 3.05Å; D109-S111 PolarHBondContact OD2-OG 3.38Å |
| 112 | I | 57.4 | Low | 82 | Confident | 128 Ų | 128 | 52.6 Ų | 52.6 | 66% | 0.656 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -36.3 | 177 | -53.2 | 175 | 0 | 0 | 0 | 110.4 | D109 H110 | D109-I112 HydrophobicContact CB-CD1 4.18Å; D109-I112 HydrophobicContact CB-CG1 4.3Å; D109-I112 WeakPolarHBondContact O-CB 3.28Å; D109-I112 PolarHBondContact O-N 3.47Å; H110-I112 PolarHBondContact O-N 3.03Å |
| 113 | C | 58 | Low | 82.2 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | trans | -123 | 102.1 | 171.7 | 72.7 | 0 | 0 | 0 | 0 | 111.9 | H108 D109 H110 R115 H117 | H108-C113 PolarHBondContact CE1-SG 3.16Å; H108-C113 PolarHBondContact ND1-SG 3.37Å; D109-C113 PolarHBondContact O-N 3.19Å; H110-C113 CarbonylContact C-O 3.54Å; H110-C113 VanDerWaalsContact CA-O 3.26Å; H110-C113 WeakPolarHBondContact CA-O 3.5Å; H110-C113 WeakPolarHBondContact CB-O 3.37Å; H110-C113 PolarHBondContact ND1-O 3.35Å; H110-C113 PolarHBondContact ND1-SG 2.86Å; H110-C113 VanDerWaalsContact ND1-SG 3.42Å; H110-C113 CarbonylContact O-C 3.57Å; H110-C113 PolarHBondContact O-N 2.83Å; C113-R115 PolarHBondContact O-N 2.58Å; C113-H117 PolarHBondContact SG-NE2 2.82Å | ||
| 114 | V | 63.3 | Low | 82.4 | Confident | 105 Ų | 105 | 48.4 Ų | 48.4 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | trans | -64.3 | -3.9 | 178.8 | -168.4 | 0 | 0 | 0 | 0 | 112.9 | H110 | H110-V114 PolarHBondContact O-N 2.67Š| ||
| 115 | R | 70.1 | Confident | 82.7 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 19% | 0.185 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -82.6 | 127.7 | -178.2 | -74.3 | -176.3 | -80.5 | 156.3 | -1.6 | 110.4 | S78 W79 D81 H110 C113 H117 | S78-R115 PolarHBondContact O-NH2 3.2Å; W79-R115 PolarHBondContact O-NH1 3.2Å; W79-R115 VanDerWaalsContact O-NH1 3.16Å; D81-R115 IonicContact OD1-NH1 3.67Å; H110-R115 PolarHBondContact CE1-O 2.93Å; H110-R115 PolarHBondContact ND1-O 3.14Å; H110-R115 VanDerWaalsContact ND1-O 3.15Å; C113-R115 PolarHBondContact O-N 2.58Å; R115-H117 PolarHBondContact O-N 3.46Å |
| 116 | N | 76.1 | Confident | 83.1 | Confident | 124 Ų | 124 | 48.2 Ų | 48.2 | 66% | 0.663 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 116 | 169.4 | -172.6 | 12.5 | 0 | 0 | 0 | 109.4 | ||
| 117 | H | 88.8 | Confident | 83.4 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 123.8 | 178.7 | -65.5 | -51.2 | 0 | 0 | 0 | 110 | I77 A80 F83 H110 C113 R115 V119 | I77-H117 PolarHBondContact O-CE1 3.47Å; I77-H117 PolarHBondContact O-NE2 3.21Å; A80-H117 PolarHBondContact O-CE1 3.14Å; A80-H117 VanDerWaalsContact O-CE1 3.23Å; A80-H117 PolarHBondContact O-ND1 3.43Å; F83-H117 HydrophobicContact CD2-CB 4.04Å; F83-H117 HydrophobicContact CE2-CB 3.8Å; F83-H117 AromaticContact CE2-CD2 3.97Å; F83-H117 AromaticContact CE2-CG 3.56Å; F83-H117 AromaticContact CE2-ND1 3.62Å; H110-H117 AromaticContact CE1-CD2 3.37Å; H110-H117 PolarHBondContact CE1-CD2 3.44Å; C113-H117 PolarHBondContact SG-NE2 2.82Å; R115-H117 PolarHBondContact O-N 3.46Å; H117-V119 HydrophobicContact CB-CG2 4.47Å |
| 118 | M | 94.2 | Very high | 84 | Confident | 17 Ų | 17 | 46.2 Ų | 46.2 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 118.4 | 169.1 | -168.6 | 178.5 | 62.2 | 0 | 0 | 109.5 | D81 I82 F83 K149 L169 E172 | D81-M118 PolarHBondContact O-N 3.16Å; I82-M118 CarbonylContact C-O 3.6Å; I82-M118 VanDerWaalsContact CA-O 3.26Å; I82-M118 WeakPolarHBondContact CA-O 3.4Å; I82-M118 HydrophobicContact CB-CE 4.38Å; I82-M118 HydrophobicContact CD1-CE 3.58Å; I82-M118 HydrophobicContact CG1-CB 4.38Å; I82-M118 HydrophobicContact CG1-CE 3.74Å; I82-M118 HydrophobicContact CG2-CE 3.81Å; F83-M118 PolarHBondContact N-O 3.05Å; M118-K149 HydrophobicContact SD-CD 4.22Å; M118-L169 HydrophobicContact CE-CB 3.65Å; M118-L169 HydrophobicContact CE-CD2 3.67Å; M118-L169 HydrophobicContact CE-CG 4.22Å; M118-L169 WeakPolarHBondContact CE-O 3.45Å; M118-L169 HydrophobicContact SD-CD2 4.35Å; M118-E172 HydrophobicContact SD-CB 4.1Å; M118-E172 HydrophobicContact SD-CG 4.11Å |
| 119 | V | 96.6 | Very high | 84.8 | Confident | 20 Ų | 20 | 50 Ų | 50 | 12% | 0.121 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.3 | -175.5 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | F83 L85 L102 I105 H117 A148 K149 | F83-V119 HydrophobicContact CD2-CG2 4.34Å; L85-V119 HydrophobicContact CD1-CG1 3.42Å; L85-V119 VanDerWaalsContact CD1-CG1 3.42Å; L102-V119 HydrophobicContact CD2-CG1 3.52Å; I105-V119 HydrophobicContact CG2-CG2 3.81Å; H117-V119 HydrophobicContact CB-CG2 4.47Å; V119-A148 HydrophobicContact CB-CB 4.03Å; V119-A148 HydrophobicContact CG1-CB 3.79Å; V119-A148 WeakPolarHBondContact O-CA 3.34Å; V119-K149 PolarHBondContact O-N 3.04Å |
| 120 | C | 98.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 114.5 | 177.8 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | F83 L84 L85 K149 Y151 L169 | F83-C120 PolarHBondContact O-N 2.97Å; L84-C120 HydrophobicContact CD2-CB 4.03Å; L85-C120 PolarHBondContact N-O 3.35Å; C120-K149 CarbonylContact C-O 3.56Å; C120-K149 HydrophobicContact CB-CB 4.22Å; C120-Y151 VanDerWaalsContact SG-CD2 3.51Å; C120-L169 HydrophobicContact CB-CD1 4.08Å; C120-L169 HydrophobicContact CB-CD2 4.14Å |
| 121 | L | 98.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 128.5 | 171.3 | -176.6 | 65.7 | 0 | 0 | 0 | 109.8 | L85 Y87 A98 L102 M142 A143 K149 F150 Y151 | L85-L121 HydrophobicContact CB-CD1 4.21Å; Y87-L121 HydrophobicContact CD1-CD1 3.78Å; Y87-L121 HydrophobicContact CD1-CG 4.19Å; Y87-L121 HydrophobicContact CE1-CD1 4.05Å; Y87-L121 HydrophobicContact CE1-CD2 4.25Å; Y87-L121 HydrophobicContact CE1-CG 3.93Å; A98-L121 HydrophobicContact CB-CD1 4Å; L102-L121 HydrophobicContact CD1-CD1 4.29Å; L102-L121 HydrophobicContact CD1-CD2 4.3Å; L121-M142 HydrophobicContact CD2-CB 4.06Å; L121-M142 HydrophobicContact CD2-CG 4.04Å; L121-M142 HydrophobicContact CD2-SD 3.94Å; L121-A143 HydrophobicContact CB-CB 4.19Å; L121-A143 HydrophobicContact CD2-CB 4.1Å; L121-K149 PolarHBondContact N-O 2.68Å; L121-F150 HydrophobicContact CB-CD2 4.39Å; L121-F150 HydrophobicContact CD2-CD2 4.29Å; L121-F150 HydrophobicContact CG-CD2 4.32Å; L121-F150 WeakPolarHBondContact O-CA 3.34Å; L121-Y151 PolarHBondContact O-N 3.25Å |
| 122 | I | 98.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 113.7 | -173.9 | -60.1 | 170.4 | 0 | 0 | 0 | 110 | L26 L84 L85 L86 Y87 N124 Y151 I153 L165 | L26-I122 HydrophobicContact CD2-CD1 4.42Å; L84-I122 HydrophobicContact CB-CD1 3.96Å; L84-I122 HydrophobicContact CD1-CD1 4.49Å; L84-I122 HydrophobicContact CD2-CD1 4.13Å; L84-I122 HydrophobicContact CG-CD1 4.4Å; L85-I122 PolarHBondContact O-N 2.95Å; L86-I122 WeakPolarHBondContact CA-O 3.01Å; L86-I122 HydrophobicContact CD1-CB 4.27Å; L86-I122 HydrophobicContact CD1-CD1 3.94Å; L86-I122 HydrophobicContact CG-CB 4.2Å; L86-I122 HydrophobicContact CG-CG2 4.34Å; Y87-I122 WeakPolarHBondContact CD1-O 3.46Å; Y87-I122 PolarHBondContact N-O 2.83Å; I122-N124 PolarHBondContact O-N 3Å; I122-Y151 CarbonylContact C-O 3.41Å; I122-Y151 VanDerWaalsContact CA-O 3.3Å; I122-Y151 WeakPolarHBondContact CA-O 3.42Å; I122-I153 HydrophobicContact CG2-CD1 3.63Å; I122-I153 HydrophobicContact CG2-CG1 3.63Å; I122-I153 HydrophobicContact CG2-CG2 4.49Å; I122-L165 HydrophobicContact CD1-CD1 4.48Å; I122-L165 HydrophobicContact CD1-CD2 3.78Å |
| 123 | G | 98.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 102.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y151 E152 I153 | G123-Y151 PolarHBondContact N-O 3.48Å; G123-E152 CarbonylContact O-C 3.5Å; G123-E152 WeakPolarHBondContact O-CA 3.21Å; G123-I153 PolarHBondContact O-N 3.47Å |
| 124 | N | 98.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 165.3 | 178.4 | -173.3 | 30.1 | 0 | 0 | 0 | 112 | S21 Y87 V89 I122 S126 I153 V155 | S21-N124 PolarHBondContact O-ND2 3.34Å; Y87-N124 WeakPolarHBondContact O-CB 3.4Å; Y87-N124 PolarHBondContact O-N 2.46Å; V89-N124 WeakPolarHBondContact CG1-O 3.48Å; V89-N124 WeakPolarHBondContact CG2-O 3.44Å; V89-N124 PolarHBondContact N-O 3.12Å; I122-N124 PolarHBondContact O-N 3Å; N124-S126 VanDerWaalsContact C-N 3.34Å; N124-I153 CarbonylContact C-O 3.54Å; N124-I153 WeakPolarHBondContact CA-O 3.36Å; N124-I153 HydrophobicContact CB-CG1 4.43Å; N124-I153 PolarHBondContact OD1-O 2.95Å; N124-V155 WeakPolarHBondContact OD1-CG2 3.3Å; N124-V155 PolarHBondContact OD1-N 3.41Å |
| 125 | K | 97.9 | Very high | 95.1 | Very high | 57 Ų | 57 | 55.7 Ų | 55.7 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | trans | 64.9 | 34 | -178.6 | -45.5 | -174.1 | -161.9 | 155.2 | 0 | 112.9 | G20 S88 V89 D127 L128 I153 | G20-K125 VanDerWaalsContact O-CE 3.31Å; G20-K125 WeakPolarHBondContact O-CE 3.37Å; G20-K125 PolarHBondContact O-NZ 3.15Å; S88-K125 VanDerWaalsContact OG-CD 3.29Å; S88-K125 WeakPolarHBondContact OG-CD 3.25Å; S88-K125 WeakPolarHBondContact OG-CE 3.47Å; S88-K125 PolarHBondContact OG-NZ 2.9Å; S88-K125 VanDerWaalsContact OG-NZ 3.13Å; V89-K125 VanDerWaalsContact CG2-O 3.23Å; V89-K125 WeakPolarHBondContact CG2-O 3.48Å; K125-D127 VanDerWaalsContact C-OD1 3.32Å; K125-D127 WeakPolarHBondContact CA-OD1 3.31Å; K125-D127 PolarHBondContact O-N 2.82Å; K125-D127 VanDerWaalsContact O-N 3.09Å; K125-L128 HydrophobicContact CB-CD1 3.97Å; K125-L128 HydrophobicContact CB-CG 4.18Å; K125-L128 HydrophobicContact CD-CD1 4Å; K125-L128 WeakPolarHBondContact O-CB 3.41Å; K125-L128 PolarHBondContact O-N 3.26Å; K125-I153 PolarHBondContact N-O 2.98Å; K125-I153 VanDerWaalsContact N-O 3.07Å | ||
| 126 | S | 98 | Very high | 96.5 | Very high | 26 Ų | 26 | 59.3 Ų | 59.3 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.2 | 177.9 | 63.5 | 0 | 0 | 0 | 0 | 113.9 | N124 L128 I153 S154 | N124-S126 VanDerWaalsContact C-N 3.34Å; S126-L128 PolarHBondContact O-N 2.86Å; S126-I153 PolarHBondContact N-O 3.23Å; S126-I153 VanDerWaalsContact N-O 3.14Å; S126-I153 PolarHBondContact OG-O 3.49Å; S126-S154 PolarHBondContact OG-N 2.91Å |
| 127 | D | 97.1 | Very high | 97.5 | Very high | 70 Ų | 70 | 59.1 Ų | 59.1 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -21.3 | 172.2 | 58.1 | -60.6 | 0 | 0 | 0 | 113.1 | K125 E129 S154 | K125-D127 VanDerWaalsContact C-OD1 3.32Å; K125-D127 WeakPolarHBondContact CA-OD1 3.31Å; K125-D127 PolarHBondContact O-N 2.82Å; K125-D127 VanDerWaalsContact O-N 3.09Å; D127-E129 PolarHBondContact O-N 2.87Å; D127-E129 VanDerWaalsContact O-N 3.16Å; D127-S154 WeakPolarHBondContact OD1-CB 3.49Å; D127-S154 PolarHBondContact OD1-OG 2.84Å |
| 128 | L | 97.6 | Very high | 98 | Very high | 61 Ų | 61 | 62.6 Ų | 62.6 | 32% | 0.319 | 29% | 0.289 | S | S | . | . | trans | -89.2 | 44.1 | -178.7 | -59.2 | -173.9 | 0 | 0 | 0 | 112.6 | T90 K125 S126 R130 Y131 R132 | T90-L128 HydrophobicContact CG2-CB 3.48Å; T90-L128 VanDerWaalsContact CG2-CB 3.48Å; T90-L128 HydrophobicContact CG2-CD1 4Å; T90-L128 HydrophobicContact CG2-CG 4.38Å; K125-L128 HydrophobicContact CB-CD1 3.97Å; K125-L128 HydrophobicContact CB-CG 4.18Å; K125-L128 HydrophobicContact CD-CD1 4Å; K125-L128 WeakPolarHBondContact O-CB 3.41Å; K125-L128 PolarHBondContact O-N 3.26Å; S126-L128 PolarHBondContact O-N 2.86Å; L128-R130 PolarHBondContact O-N 3.26Å; L128-R130 VanDerWaalsContact O-N 3.09Å; L128-Y131 HydrophobicContact CB-CD2 4.26Å; L128-Y131 PolarHBondContact O-N 2.93Å; L128-R132 PolarHBondContact O-N 2.95Å | ||
| 129 | E | 97.5 | Very high | 98.2 | Very high | 112 Ų | 112 | 61.8 Ų | 61.8 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -55.3 | -33.7 | -173.4 | -169 | 60.3 | -151.8 | 0 | 0 | 113.6 | D127 Y131 R132 | D127-E129 PolarHBondContact O-N 2.87Å; D127-E129 VanDerWaalsContact O-N 3.16Å; E129-Y131 PolarHBondContact O-N 2.8Å; E129-R132 VanDerWaalsContact CD-NE 3.26Å; E129-R132 VanDerWaalsContact O-CB 3.3Å; E129-R132 WeakPolarHBondContact O-CB 3.38Å; E129-R132 PolarHBondContact O-N 2.66Å; E129-R132 WeakPolarHBondContact OE1-CD 3.4Å; E129-R132 IonicContact OE1-NE 3.91Å; E129-R132 PolarHBondContact OE1-NE 2.64Å; E129-R132 VanDerWaalsContact OE1-NE 3.12Å; E129-R132 IonicContact OE2-CZ 3.36Å; E129-R132 VanDerWaalsContact OE2-CZ 3.3Å; E129-R132 IonicContact OE2-NE 2.68Å; E129-R132 PolarHBondContact OE2-NE 2.86Å; E129-R132 IonicContact OE2-NH2 2.82Å; E129-R132 PolarHBondContact OE2-NH2 2.84Å |
| 130 | R | 98.1 | Very high | 98.3 | Very high | 240 Ų | 240 | 62.8 Ų | 62.8 | 91% | 0.906 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -65.6 | -21.1 | 177.5 | -64.9 | -174.4 | -178.9 | -169.1 | 0.2 | 113.9 | L128 | L128-R130 PolarHBondContact O-N 3.26Å; L128-R130 VanDerWaalsContact O-N 3.09Å |
| 131 | Y | 98.1 | Very high | 98.3 | Very high | 162 Ų | 162 | 67.7 Ų | 67.7 | 64% | 0.635 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -110 | 12.8 | -179.9 | -55 | -74.6 | 0 | 0 | 0 | 111.5 | T90 L128 E129 E133 | T90-Y131 VanDerWaalsContact CA-O 3.23Å; T90-Y131 WeakPolarHBondContact CA-O 3.35Å; T90-Y131 VanDerWaalsContact CB-O 3.22Å; T90-Y131 WeakPolarHBondContact CB-O 3.41Å; T90-Y131 WeakPolarHBondContact CG2-O 3.47Å; L128-Y131 HydrophobicContact CB-CD2 4.26Å; L128-Y131 PolarHBondContact O-N 2.93Å; E129-Y131 PolarHBondContact O-N 2.8Å; Y131-E133 PolarHBondContact O-N 2.93Å |
| 132 | R | 98.6 | Very high | 98.3 | Very high | 53 Ų | 53 | 68.2 Ų | 68.2 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | trans | -66.2 | 125.5 | -177.3 | 179.9 | -179.4 | -73.6 | -92.2 | 9 | 110.7 | V89 L128 E129 V134 E152 | V89-R132 HydrophobicContact CB-CG 4.47Å; L128-R132 PolarHBondContact O-N 2.95Å; E129-R132 VanDerWaalsContact CD-NE 3.26Å; E129-R132 VanDerWaalsContact O-CB 3.3Å; E129-R132 WeakPolarHBondContact O-CB 3.38Å; E129-R132 PolarHBondContact O-N 2.66Å; E129-R132 WeakPolarHBondContact OE1-CD 3.4Å; E129-R132 IonicContact OE1-NE 3.91Å; E129-R132 PolarHBondContact OE1-NE 2.64Å; E129-R132 VanDerWaalsContact OE1-NE 3.12Å; E129-R132 IonicContact OE2-CZ 3.36Å; E129-R132 VanDerWaalsContact OE2-CZ 3.3Å; E129-R132 IonicContact OE2-NE 2.68Å; E129-R132 PolarHBondContact OE2-NE 2.86Å; E129-R132 IonicContact OE2-NH2 2.82Å; E129-R132 PolarHBondContact OE2-NH2 2.84Å; R132-V134 WeakPolarHBondContact CD-O 3.45Å; R132-V134 WeakPolarHBondContact CG-O 3.38Å; R132-V134 PolarHBondContact NH1-O 2.84Å; R132-E152 IonicContact CZ-OE1 2.84Å; R132-E152 IonicContact CZ-OE2 2.96Å; R132-E152 IonicContact NH1-OE1 3.3Å; R132-E152 PolarHBondContact NH1-OE1 2.98Å; R132-E152 IonicContact NH1-OE2 3.12Å; R132-E152 PolarHBondContact NH1-OE2 3.32Å; R132-E152 IonicContact NH2-OE1 3.48Å; R132-E152 IonicContact NH2-OE2 2.77Å; R132-E152 PolarHBondContact NH2-OE2 3.43Å | ||
| 133 | E | 98.6 | Very high | 98.3 | Very high | 116 Ų | 116 | 68.3 Ų | 68.3 | 54% | 0.542 | 32% | 0.323 | S | S | . | . | trans | -107.2 | -26.2 | 174 | -61.3 | -176.4 | 177.7 | 0 | 0 | 111.7 | V89 K92 Y131 | V89-E133 PolarHBondContact O-N 2.75Å; K92-E133 HydrophobicContact CB-CB 4.36Å; K92-E133 PolarHBondContact N-OE2 3.41Å; Y131-E133 PolarHBondContact O-N 2.93Å | ||
| 134 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -114.6 | 116.4 | -179.7 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | Y87 V89 K92 F95 R132 Q138 | Y87-V134 HydrophobicContact CE2-CB 4.01Å; Y87-V134 HydrophobicContact CE2-CG1 3.77Å; Y87-V134 HydrophobicContact CE2-CG2 4.5Å; V89-V134 PolarHBondContact O-N 2.87Å; K92-V134 HydrophobicContact CB-CG2 4.4Å; K92-V134 HydrophobicContact CG-CG2 4.48Å; F95-V134 HydrophobicContact CB-CG1 4.48Å; F95-V134 HydrophobicContact CB-CG2 3.76Å; F95-V134 HydrophobicContact CD1-CG1 3.97Å; F95-V134 HydrophobicContact CD1-CG2 4.11Å; F95-V134 HydrophobicContact CD2-CG1 3.8Å; F95-V134 HydrophobicContact CE1-CG1 4Å; F95-V134 HydrophobicContact CE2-CG1 3.85Å; F95-V134 HydrophobicContact CG-CG1 3.84Å; F95-V134 HydrophobicContact CG-CG2 3.94Å; F95-V134 HydrophobicContact CZ-CG1 3.91Å; R132-V134 WeakPolarHBondContact CD-O 3.45Å; R132-V134 WeakPolarHBondContact CG-O 3.38Å; R132-V134 PolarHBondContact NH1-O 2.84Å; V134-Q138 HydrophobicContact CG1-CB 4.07Å |
| 135 | S | 98.5 | Very high | 98.2 | Very high | 44 Ų | 44 | 76.7 Ų | 76.7 | 31% | 0.308 | 38% | 0.376 | S | S | . | . | trans | -69 | 151.3 | 176.5 | 69.6 | 0 | 0 | 0 | 0 | 111.8 | N137 Q138 G139 | S135-N137 PolarHBondContact O-N 2.88Å; S135-Q138 WeakPolarHBondContact O-CB 3.12Å; S135-Q138 PolarHBondContact O-N 3.14Å; S135-Q138 VanDerWaalsContact O-N 3.09Å; S135-Q138 VanDerWaalsContact OG-CG 3.3Å; S135-Q138 WeakPolarHBondContact OG-CG 3.43Å; S135-Q138 PolarHBondContact OG-N 2.81Å; S135-Q138 PolarHBondContact OG-OE1 2.93Å; S135-G139 PolarHBondContact O-N 2.85Å | ||
| 136 | K | 98.5 | Very high | 98.1 | Very high | 124 Ų | 124 | 75.8 Ų | 75.8 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56.2 | -34.2 | 174 | -171.3 | 172.8 | -178.2 | 174 | 0 | 112.8 | G139 A140 F150 E152 | K136-G139 PolarHBondContact O-N 2.85Å; K136-A140 WeakPolarHBondContact O-CB 3.43Å; K136-A140 PolarHBondContact O-N 2.66Å; K136-F150 HydrophobicContact CG-CE1 3.81Å; K136-F150 HydrophobicContact CG-CZ 4.28Å; K136-F150 WeakPolarHBondContact O-CE1 3.3Å; K136-E152 VanDerWaalsContact CA-OE1 3.29Å; K136-E152 WeakPolarHBondContact CA-OE1 3.17Å; K136-E152 WeakPolarHBondContact CB-OE1 3.24Å; K136-E152 HydrophobicContact CG-CG 4.29Å |
| 137 | N | 98.6 | Very high | 97.9 | Very high | 121 Ų | 121 | 79.7 Ų | 79.7 | 65% | 0.647 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.7 | -40.6 | 177.8 | -71.3 | -9.6 | 0 | 0 | 0 | 111.9 | S135 G139 A140 I141 | S135-N137 PolarHBondContact O-N 2.88Å; N137-G139 VanDerWaalsContact C-N 3.34Å; N137-G139 PolarHBondContact O-N 2.87Å; N137-A140 PolarHBondContact O-N 2.97Å; N137-I141 WeakPolarHBondContact O-CB 3.39Å; N137-I141 VanDerWaalsContact O-CG1 3.25Å; N137-I141 WeakPolarHBondContact O-CG1 3.48Å; N137-I141 PolarHBondContact O-N 3.15Å |
| 138 | Q | 98.5 | Very high | 97.9 | Very high | 85 Ų | 85 | 77 Ų | 77 | 40% | 0.397 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 174.6 | -75.9 | 163.3 | -57.5 | 0 | 0 | 111.1 | F95 V134 S135 I141 M142 | F95-Q138 HydrophobicContact CE1-CB 4.33Å; F95-Q138 HydrophobicContact CZ-CB 4.02Å; V134-Q138 HydrophobicContact CG1-CB 4.07Å; S135-Q138 WeakPolarHBondContact O-CB 3.12Å; S135-Q138 PolarHBondContact O-N 3.14Å; S135-Q138 VanDerWaalsContact O-N 3.09Å; S135-Q138 VanDerWaalsContact OG-CG 3.3Å; S135-Q138 WeakPolarHBondContact OG-CG 3.43Å; S135-Q138 PolarHBondContact OG-N 2.81Å; S135-Q138 PolarHBondContact OG-OE1 2.93Å; Q138-I141 PolarHBondContact O-N 2.99Å; Q138-M142 WeakPolarHBondContact O-CB 3.37Å; Q138-M142 PolarHBondContact O-N 3.16Å |
| 139 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S135 K136 N137 M142 A143 | S135-G139 PolarHBondContact O-N 2.85Å; K136-G139 PolarHBondContact O-N 2.85Å; N137-G139 VanDerWaalsContact C-N 3.34Å; N137-G139 PolarHBondContact O-N 2.87Å; G139-M142 PolarHBondContact O-N 3.2Å; G139-A143 WeakPolarHBondContact O-CB 3.5Å; G139-A143 PolarHBondContact O-N 3.38Å |
| 140 | A | 98.7 | Very high | 98 | Very high | 40 Ų | 40 | 73.4 Ų | 73.4 | 33% | 0.331 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | K136 N137 A143 A144 F150 | K136-A140 WeakPolarHBondContact O-CB 3.43Å; K136-A140 PolarHBondContact O-N 2.66Å; N137-A140 PolarHBondContact O-N 2.97Å; A140-A143 PolarHBondContact O-N 3.08Å; A140-A144 WeakPolarHBondContact O-CB 3.33Å; A140-A144 PolarHBondContact O-N 2.84Å; A140-F150 HydrophobicContact CB-CD1 3.81Å; A140-F150 HydrophobicContact CB-CE1 3.99Å |
| 141 | I | 98.7 | Very high | 98 | Very high | 104 Ų | 104 | 65.4 Ų | 65.4 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 176.3 | -69.5 | 165.1 | 0 | 0 | 0 | 109.8 | N137 Q138 A143 A144 M145 | N137-I141 WeakPolarHBondContact O-CB 3.39Å; N137-I141 VanDerWaalsContact O-CG1 3.25Å; N137-I141 WeakPolarHBondContact O-CG1 3.48Å; N137-I141 PolarHBondContact O-N 3.15Å; Q138-I141 PolarHBondContact O-N 2.99Å; I141-A143 PolarHBondContact O-N 3.2Å; I141-A144 PolarHBondContact O-N 2.79Å; I141-M145 HydrophobicContact CG2-CE 4.2Å; I141-M145 HydrophobicContact CG2-CG 4.48Å; I141-M145 HydrophobicContact CG2-SD 4.39Å; I141-M145 WeakPolarHBondContact O-CG 3.34Å; I141-M145 PolarHBondContact O-N 3.17Å |
| 142 | M | 98.5 | Very high | 98 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 177.4 | -174.9 | -178.3 | -73.9 | 0 | 0 | 111.9 | F95 E99 L102 L121 Q138 G139 A144 M145 Y146 | F95-M142 HydrophobicContact CD1-CE 3.78Å; F95-M142 HydrophobicContact CD2-CE 3.98Å; F95-M142 HydrophobicContact CD2-SD 4.04Å; F95-M142 HydrophobicContact CE1-CE 3.21Å; F95-M142 HydrophobicContact CE1-SD 4.39Å; F95-M142 HydrophobicContact CE2-CB 4.27Å; F95-M142 HydrophobicContact CE2-CE 3.43Å; F95-M142 VanDerWaalsContact CE2-CE 3.43Å; F95-M142 HydrophobicContact CE2-SD 3.48Å; F95-M142 WeakPolarHBondContact CE2-SD 3.49Å; F95-M142 HydrophobicContact CG-CE 4.16Å; F95-M142 HydrophobicContact CZ-CB 4.06Å; F95-M142 HydrophobicContact CZ-CE 3.04Å; F95-M142 HydrophobicContact CZ-SD 3.72Å; E99-M142 HydrophobicContact CB-CE 3.58Å; E99-M142 HydrophobicContact CB-SD 3.84Å; E99-M142 HydrophobicContact CG-CE 3.67Å; E99-M142 HydrophobicContact CG-CG 4.27Å; E99-M142 HydrophobicContact CG-SD 3.97Å; L102-M142 HydrophobicContact CD1-CG 3.76Å; L102-M142 HydrophobicContact CD1-SD 3.95Å; L121-M142 HydrophobicContact CD2-CB 4.06Å; L121-M142 HydrophobicContact CD2-CG 4.04Å; L121-M142 HydrophobicContact CD2-SD 3.94Å; Q138-M142 WeakPolarHBondContact O-CB 3.37Å; Q138-M142 PolarHBondContact O-N 3.16Å; G139-M142 PolarHBondContact O-N 3.2Å; M142-A144 VanDerWaalsContact C-N 3.3Å; M142-A144 PolarHBondContact O-N 3.35Å; M142-M145 HydrophobicContact CB-CE 4.31Å; M142-M145 PolarHBondContact O-N 2.85Å; M142-Y146 HydrophobicContact CG-CD2 4.25Å; M142-Y146 HydrophobicContact CG-CE2 4.21Å; M142-Y146 VanDerWaalsContact O-CD2 3.27Å; M142-Y146 WeakPolarHBondContact O-CD2 3.47Å; M142-Y146 PolarHBondContact O-N 3.15Å |
| 143 | A | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.9 | -43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L121 G139 A140 I141 M145 Y146 S147 A148 F150 | L121-A143 HydrophobicContact CB-CB 4.19Å; L121-A143 HydrophobicContact CD2-CB 4.1Å; G139-A143 WeakPolarHBondContact O-CB 3.5Å; G139-A143 PolarHBondContact O-N 3.38Å; A140-A143 PolarHBondContact O-N 3.08Å; I141-A143 PolarHBondContact O-N 3.2Å; A143-M145 PolarHBondContact O-N 3.48Å; A143-Y146 CarbonylContact O-C 3.56Å; A143-Y146 PolarHBondContact O-N 2.89Å; A143-S147 PolarHBondContact O-N 3.01Å; A143-S147 VanDerWaalsContact O-N 3.14Å; A143-A148 HydrophobicContact CB-CB 4.29Å; A143-A148 PolarHBondContact O-N 2.78Å; A143-F150 HydrophobicContact CB-CB 3.64Å; A143-F150 HydrophobicContact CB-CD2 4.33Å; A143-F150 HydrophobicContact CB-CG 4.25Å |
| 144 | A | 98 | Very high | 98 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 60% | 0.603 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62 | -41.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A140 I141 M142 Y146 S147 | A140-A144 WeakPolarHBondContact O-CB 3.33Å; A140-A144 PolarHBondContact O-N 2.84Å; I141-A144 PolarHBondContact O-N 2.79Å; M142-A144 VanDerWaalsContact C-N 3.3Å; M142-A144 PolarHBondContact O-N 3.35Å; A144-Y146 PolarHBondContact O-N 3.47Å; A144-S147 PolarHBondContact O-N 3.02Å |
| 145 | M | 97.2 | Very high | 97.9 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 54% | 0.542 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.2 | -35.3 | 178 | -72.2 | -171.8 | -63.3 | 0 | 0 | 112.7 | I141 M142 A143 | I141-M145 HydrophobicContact CG2-CE 4.2Å; I141-M145 HydrophobicContact CG2-CG 4.48Å; I141-M145 HydrophobicContact CG2-SD 4.39Å; I141-M145 WeakPolarHBondContact O-CG 3.34Å; I141-M145 PolarHBondContact O-N 3.17Å; M142-M145 HydrophobicContact CB-CE 4.31Å; M142-M145 PolarHBondContact O-N 2.85Å; A143-M145 PolarHBondContact O-N 3.48Å |
| 146 | Y | 95.9 | Very high | 97.8 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 15% | 0.145 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 14.6 | -178.9 | -61.5 | -80.6 | 0 | 0 | 0 | 113.7 | E99 L102 K103 H106 M142 A143 A144 A148 | E99-Y146 HydrophobicContact CG-CE2 3.84Å; E99-Y146 PolarHBondContact OE1-OH 3.35Å; L102-Y146 HydrophobicContact CB-CD1 4.08Å; L102-Y146 HydrophobicContact CB-CD2 3.82Å; L102-Y146 HydrophobicContact CB-CE1 4.44Å; L102-Y146 HydrophobicContact CB-CE2 4.21Å; L102-Y146 HydrophobicContact CB-CG 3.77Å; L102-Y146 HydrophobicContact CD1-CD2 3.65Å; L102-Y146 HydrophobicContact CD1-CE2 4.28Å; L102-Y146 HydrophobicContact CD1-CG 4.2Å; L102-Y146 HydrophobicContact CG-CD2 4.3Å; L102-Y146 HydrophobicContact CG-CG 4.43Å; K103-Y146 HydrophobicContact CB-CE1 4.43Å; K103-Y146 WeakPolarHBondContact CE-OH 3.29Å; K103-Y146 HydrophobicContact CG-CE1 3.64Å; K103-Y146 VanDerWaalsContact CG-OH 3.25Å; K103-Y146 WeakPolarHBondContact CG-OH 3.42Å; H106-Y146 HydrophobicContact CB-CD1 4.07Å; M142-Y146 HydrophobicContact CG-CD2 4.25Å; M142-Y146 HydrophobicContact CG-CE2 4.21Å; M142-Y146 VanDerWaalsContact O-CD2 3.27Å; M142-Y146 WeakPolarHBondContact O-CD2 3.47Å; M142-Y146 PolarHBondContact O-N 3.15Å; A143-Y146 CarbonylContact O-C 3.56Å; A143-Y146 PolarHBondContact O-N 2.89Å; A144-Y146 PolarHBondContact O-N 3.47Å; Y146-A148 PolarHBondContact O-N 3.24Å; Y146-A148 VanDerWaalsContact O-N 3.16Å |
| 147 | S | 94.3 | Very high | 97.5 | Very high | 108 Ų | 108 | 51.6 Ų | 51.6 | 76% | 0.755 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 31.6 | -176.3 | -58.3 | 0 | 0 | 0 | 0 | 113.8 | A143 A144 | A143-S147 PolarHBondContact O-N 3.01Å; A143-S147 VanDerWaalsContact O-N 3.14Å; A144-S147 PolarHBondContact O-N 3.02Å |
| 148 | A | 96.9 | Very high | 97.3 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 12% | 0.116 | 28% | 0.283 | C | S | . | . | trans | -92.8 | 153.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L102 V119 A143 Y146 | L102-A148 HydrophobicContact CD2-CB 4.25Å; V119-A148 HydrophobicContact CB-CB 4.03Å; V119-A148 HydrophobicContact CG1-CB 3.79Å; V119-A148 WeakPolarHBondContact O-CA 3.34Å; A143-A148 HydrophobicContact CB-CB 4.29Å; A143-A148 PolarHBondContact O-N 2.78Å; Y146-A148 PolarHBondContact O-N 3.24Å; Y146-A148 VanDerWaalsContact O-N 3.16Å | ||
| 149 | K | 98.1 | Very high | 97.3 | Very high | 50 Ų | 50 | 50.5 Ų | 50.5 | 22% | 0.217 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 155.6 | 165.4 | -66.5 | -177.9 | -179.3 | -67.5 | 0 | 110.2 | M118 V119 C120 L121 Y151 L169 E172 | M118-K149 HydrophobicContact SD-CD 4.22Å; V119-K149 PolarHBondContact O-N 3.04Å; C120-K149 CarbonylContact C-O 3.56Å; C120-K149 HydrophobicContact CB-CB 4.22Å; L121-K149 PolarHBondContact N-O 2.68Å; K149-Y151 HydrophobicContact CB-CE2 4.23Å; K149-L169 HydrophobicContact CD-CD2 3.49Å; K149-L169 VanDerWaalsContact CD-CD2 3.49Å; K149-E172 WeakPolarHBondContact CE-OE1 3.38Å; K149-E172 WeakPolarHBondContact CE-OE2 3.39Å; K149-E172 IonicContact NZ-OE1 3.28Å; K149-E172 PolarHBondContact NZ-OE1 3.04Å; K149-E172 IonicContact NZ-OE2 2.67Å; K149-E172 PolarHBondContact NZ-OE2 3.43Å |
| 150 | F | 98.5 | Very high | 97.2 | Very high | 48 Ų | 48 | 54 Ų | 54 | 21% | 0.211 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130.5 | 178.6 | -177.3 | -120.9 | 0 | 0 | 0 | 112 | Y87 L121 K136 A140 A143 E152 | Y87-F150 HydrophobicContact CE1-CE2 4.3Å; L121-F150 HydrophobicContact CB-CD2 4.39Å; L121-F150 HydrophobicContact CD2-CD2 4.29Å; L121-F150 HydrophobicContact CG-CD2 4.32Å; L121-F150 WeakPolarHBondContact O-CA 3.34Å; K136-F150 HydrophobicContact CG-CE1 3.81Å; K136-F150 HydrophobicContact CG-CZ 4.28Å; K136-F150 WeakPolarHBondContact O-CE1 3.3Å; A140-F150 HydrophobicContact CB-CD1 3.81Å; A140-F150 HydrophobicContact CB-CE1 3.99Å; A143-F150 HydrophobicContact CB-CB 3.64Å; A143-F150 HydrophobicContact CB-CD2 4.33Å; A143-F150 HydrophobicContact CB-CG 4.25Å; F150-E152 HydrophobicContact CE1-CG 4.28Å; F150-E152 HydrophobicContact CE2-CG 4.47Å; F150-E152 HydrophobicContact CZ-CG 3.74Å |
| 151 | Y | 98.6 | Very high | 97.1 | Very high | 72 Ų | 72 | 54.6 Ų | 54.6 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146.4 | 170.9 | -69.1 | -100.6 | 0 | 0 | 0 | 109.8 | C120 L121 I122 G123 K149 L165 L169 | C120-Y151 VanDerWaalsContact SG-CD2 3.51Å; L121-Y151 PolarHBondContact O-N 3.25Å; I122-Y151 CarbonylContact C-O 3.41Å; I122-Y151 VanDerWaalsContact CA-O 3.3Å; I122-Y151 WeakPolarHBondContact CA-O 3.42Å; G123-Y151 PolarHBondContact N-O 3.48Å; K149-Y151 HydrophobicContact CB-CE2 4.23Å; Y151-L165 HydrophobicContact CD1-CD1 3.94Å; Y151-L165 HydrophobicContact CD2-CD1 3.73Å; Y151-L165 HydrophobicContact CE1-CD1 4.18Å; Y151-L165 HydrophobicContact CE2-CD1 3.98Å; Y151-L165 HydrophobicContact CG-CD1 3.71Å; Y151-L169 HydrophobicContact CE2-CD2 4.47Å |
| 152 | E | 98.4 | Very high | 97.1 | Very high | 40 Ų | 40 | 49.7 Ų | 49.7 | 19% | 0.187 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 138.9 | 156.1 | -70.5 | -164.3 | 166.4 | 0 | 0 | 108.8 | G123 R132 K136 F150 | G123-E152 CarbonylContact O-C 3.5Å; G123-E152 WeakPolarHBondContact O-CA 3.21Å; R132-E152 IonicContact CZ-OE1 2.84Å; R132-E152 IonicContact CZ-OE2 2.96Å; R132-E152 IonicContact NH1-OE1 3.3Å; R132-E152 PolarHBondContact NH1-OE1 2.98Å; R132-E152 IonicContact NH1-OE2 3.12Å; R132-E152 PolarHBondContact NH1-OE2 3.32Å; R132-E152 IonicContact NH2-OE1 3.48Å; R132-E152 IonicContact NH2-OE2 2.77Å; R132-E152 PolarHBondContact NH2-OE2 3.43Å; K136-E152 VanDerWaalsContact CA-OE1 3.29Å; K136-E152 WeakPolarHBondContact CA-OE1 3.17Å; K136-E152 WeakPolarHBondContact CB-OE1 3.24Å; K136-E152 HydrophobicContact CG-CG 4.29Å; F150-E152 HydrophobicContact CE1-CG 4.28Å; F150-E152 HydrophobicContact CE2-CG 4.47Å; F150-E152 HydrophobicContact CZ-CG 3.74Å |
| 153 | I | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | trans | -138.9 | 160.8 | 178.8 | 67.3 | 174.4 | 0 | 0 | 0 | 110.6 | L26 I122 G123 N124 K125 S126 V155 T161 I162 L165 | L26-I153 HydrophobicContact CD1-CD1 3.78Å; I122-I153 HydrophobicContact CG2-CD1 3.63Å; I122-I153 HydrophobicContact CG2-CG1 3.63Å; I122-I153 HydrophobicContact CG2-CG2 4.49Å; G123-I153 PolarHBondContact O-N 3.47Å; N124-I153 CarbonylContact C-O 3.54Å; N124-I153 WeakPolarHBondContact CA-O 3.36Å; N124-I153 HydrophobicContact CB-CG1 4.43Å; N124-I153 PolarHBondContact OD1-O 2.95Å; K125-I153 PolarHBondContact N-O 2.98Å; K125-I153 VanDerWaalsContact N-O 3.07Å; S126-I153 PolarHBondContact N-O 3.23Å; S126-I153 VanDerWaalsContact N-O 3.14Å; S126-I153 PolarHBondContact OG-O 3.49Å; I153-V155 HydrophobicContact CD1-CG2 3.77Å; I153-V155 HydrophobicContact CG1-CG2 4.42Å; I153-T161 HydrophobicContact CG2-CG2 4.47Å; I153-I162 HydrophobicContact CB-CD1 4.47Å; I153-I162 HydrophobicContact CD1-CD1 3.82Å; I153-L165 HydrophobicContact CD1-CD2 4.32Å; I153-L165 HydrophobicContact CG2-CD2 4.49Å | ||
| 154 | S | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -117.6 | 118 | 155.5 | 179 | 0 | 0 | 0 | 0 | 109.4 | S126 D127 T156 E157 | S126-S154 PolarHBondContact OG-N 2.91Å; D127-S154 WeakPolarHBondContact OD1-CB 3.49Å; D127-S154 PolarHBondContact OD1-OG 2.84Å; S154-T156 PolarHBondContact O-N 3.09Å; S154-T156 PolarHBondContact OG-N 3.21Å; S154-T156 PolarHBondContact OG-OG1 3.27Å; S154-E157 WeakPolarHBondContact O-CB 3.43Å; S154-E157 PolarHBondContact O-N 3.23Å | ||
| 155 | V | 97.4 | Very high | 97 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -67 | -21.8 | 178 | 172 | 0 | 0 | 0 | 0 | 112.2 | A25 L26 K29 Y35 N124 I153 I162 | A25-V155 HydrophobicContact CB-CG1 3.86Å; A25-V155 WeakPolarHBondContact O-CG1 3.47Å; L26-V155 HydrophobicContact CB-CG2 3.97Å; L26-V155 HydrophobicContact CD1-CG2 3.94Å; K29-V155 HydrophobicContact CB-CG1 3.87Å; K29-V155 HydrophobicContact CG-CG1 4.21Å; K29-V155 PolarHBondContact NZ-O 3.32Å; Y35-V155 HydrophobicContact CD2-CG1 4.09Å; Y35-V155 HydrophobicContact CE2-CG1 4.37Å; N124-V155 WeakPolarHBondContact OD1-CG2 3.3Å; N124-V155 PolarHBondContact OD1-N 3.41Å; I153-V155 HydrophobicContact CD1-CG2 3.77Å; I153-V155 HydrophobicContact CG1-CG2 4.42Å; V155-I162 HydrophobicContact CG2-CD1 4.28Å |
| 156 | T | 95.3 | Very high | 97 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 41% | 0.405 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -73.7 | -29.6 | 178.9 | 64.5 | 0 | 0 | 0 | 0 | 111.7 | K29 Y35 S154 | K29-T156 PolarHBondContact NZ-O 3.37Å; Y35-T156 HydrophobicContact CD2-CG2 4.32Å; Y35-T156 HydrophobicContact CE1-CG2 4.2Å; Y35-T156 HydrophobicContact CE2-CG2 3.94Å; S154-T156 PolarHBondContact O-N 3.09Å; S154-T156 PolarHBondContact OG-N 3.21Å; S154-T156 PolarHBondContact OG-OG1 3.27Å |
| 157 | E | 92.9 | Very high | 97.1 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -66.2 | -168.9 | 177.7 | -71.5 | -178.7 | -177.6 | 0 | 0 | 114.1 | K29 S154 Y159 | K29-E157 WeakPolarHBondContact CE-O 3.26Å; K29-E157 PolarHBondContact NZ-O 3.1Å; S154-E157 WeakPolarHBondContact O-CB 3.43Å; S154-E157 PolarHBondContact O-N 3.23Å; E157-Y159 PolarHBondContact O-N 3.11Å |
| 158 | E | 95.1 | Very high | 97.3 | Very high | 141 Ų | 141 | 49.8 Ų | 49.8 | 66% | 0.659 | 24% | 0.24 | S | C | * | . | trans | -56.5 | 135.1 | -175.2 | -70.3 | -58.9 | 143.2 | 0 | 0 | 113.6 | S160 T161 | E158-S160 PolarHBondContact O-N 2.86Å; E158-S160 VanDerWaalsContact O-N 3.08Å; E158-T161 PolarHBondContact O-N 2.79Å | ||
| 159 | Y | 97.1 | Very high | 97.2 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 16% | 0.161 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.8 | -24.8 | 177.1 | 168.7 | -104.9 | 0 | 0 | 0 | 112.8 | K29 F30 K33 K49 E157 T161 I162 K163 | K29-Y159 WeakPolarHBondContact O-CD2 3.29Å; K29-Y159 WeakPolarHBondContact O-CE2 3.39Å; F30-Y159 WeakPolarHBondContact O-CE2 3.43Å; K33-Y159 HydrophobicContact CB-CD1 4.23Å; K33-Y159 HydrophobicContact CB-CD2 3.97Å; K33-Y159 HydrophobicContact CB-CE1 4.44Å; K33-Y159 HydrophobicContact CB-CE2 4.17Å; K33-Y159 HydrophobicContact CB-CG 4Å; K33-Y159 HydrophobicContact CD-CD1 4.32Å; K33-Y159 HydrophobicContact CD-CE1 3.99Å; K33-Y159 HydrophobicContact CG-CD1 4.12Å; K33-Y159 HydrophobicContact CG-CD2 4.13Å; K33-Y159 HydrophobicContact CG-CE1 3.84Å; K33-Y159 HydrophobicContact CG-CE2 3.82Å; K33-Y159 HydrophobicContact CG-CG 4.27Å; K49-Y159 PolarHBondContact NZ-OH 3.48Å; E157-Y159 PolarHBondContact O-N 3.11Å; Y159-T161 VanDerWaalsContact C-N 3.29Å; Y159-T161 PolarHBondContact O-N 2.79Å; Y159-I162 PolarHBondContact O-N 3.27Å; Y159-K163 HydrophobicContact CD1-CB 4.4Å; Y159-K163 HydrophobicContact CE1-CB 3.92Å; Y159-K163 HydrophobicContact CE1-CD 3.92Å; Y159-K163 HydrophobicContact CE1-CG 4.24Å; Y159-K163 HydrophobicContact CE2-CB 4.44Å; Y159-K163 WeakPolarHBondContact O-CB 3.36Å; Y159-K163 PolarHBondContact O-N 3.14Å |
| 160 | S | 97.4 | Very high | 97.1 | Very high | 73 Ų | 73 | 46.9 Ų | 46.9 | 51% | 0.51 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.2 | -38 | 178.4 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | E158 K163 K164 | E158-S160 PolarHBondContact O-N 2.86Å; E158-S160 VanDerWaalsContact O-N 3.08Å; S160-K163 PolarHBondContact O-N 3.28Å; S160-K164 VanDerWaalsContact O-CB 3.25Å; S160-K164 WeakPolarHBondContact O-CB 3.2Å; S160-K164 PolarHBondContact O-N 2.83Å |
| 161 | T | 97 | Very high | 97 | Very high | 54 Ų | 54 | 48 Ų | 48 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64 | -47.8 | 176.7 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | I153 E158 Y159 K164 L165 | I153-T161 HydrophobicContact CG2-CG2 4.47Å; E158-T161 PolarHBondContact O-N 2.79Å; Y159-T161 VanDerWaalsContact C-N 3.29Å; Y159-T161 PolarHBondContact O-N 2.79Å; T161-K164 PolarHBondContact O-N 3.33Å; T161-L165 PolarHBondContact O-N 2.8Å |
| 162 | I | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 177.9 | -54.7 | -47.9 | 0 | 0 | 0 | 111 | L26 K29 F30 I153 V155 Y159 K164 L165 F166 | L26-I162 HydrophobicContact CD1-CD1 3.84Å; L26-I162 HydrophobicContact CD1-CG1 4.44Å; L26-I162 HydrophobicContact CD1-CG2 3.67Å; K29-I162 HydrophobicContact CG-CG1 4.04Å; F30-I162 HydrophobicContact CB-CG2 3.98Å; F30-I162 HydrophobicContact CD2-CG2 4.33Å; I153-I162 HydrophobicContact CB-CD1 4.47Å; I153-I162 HydrophobicContact CD1-CD1 3.82Å; V155-I162 HydrophobicContact CG2-CD1 4.28Å; Y159-I162 PolarHBondContact O-N 3.27Å; I162-K164 VanDerWaalsContact C-N 3.28Å; I162-K164 PolarHBondContact O-N 3.44Å; I162-L165 WeakPolarHBondContact O-CB 3.3Å; I162-L165 PolarHBondContact O-N 3.33Å; I162-F166 HydrophobicContact CG2-CD2 4.07Å; I162-F166 HydrophobicContact CG2-CE2 4.04Å; I162-F166 WeakPolarHBondContact O-CD2 3.3Å; I162-F166 PolarHBondContact O-N 2.96Å; I162-F166 VanDerWaalsContact O-N 3.17Å |
| 163 | K | 97.6 | Very high | 96.5 | Very high | 103 Ų | 103 | 46.3 Ų | 46.3 | 45% | 0.448 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59 | -41.4 | 175.7 | -174 | -173.3 | 176.8 | -173.1 | 0 | 111.4 | Y159 S160 R167 | Y159-K163 HydrophobicContact CD1-CB 4.4Å; Y159-K163 HydrophobicContact CE1-CB 3.92Å; Y159-K163 HydrophobicContact CE1-CD 3.92Å; Y159-K163 HydrophobicContact CE1-CG 4.24Å; Y159-K163 HydrophobicContact CE2-CB 4.44Å; Y159-K163 WeakPolarHBondContact O-CB 3.36Å; Y159-K163 PolarHBondContact O-N 3.14Å; S160-K163 PolarHBondContact O-N 3.28Å; K163-R167 WeakPolarHBondContact O-CB 3.14Å; K163-R167 PolarHBondContact O-N 3.17Å |
| 164 | K | 97.2 | Very high | 96.1 | Very high | 113 Ų | 113 | 46.9 Ų | 46.9 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.5 | -47.5 | 177.8 | 170.6 | 166.3 | -176.7 | -169.7 | 0 | 111.3 | S160 T161 I162 F166 R167 D168 | S160-K164 VanDerWaalsContact O-CB 3.25Å; S160-K164 WeakPolarHBondContact O-CB 3.2Å; S160-K164 PolarHBondContact O-N 2.83Å; T161-K164 PolarHBondContact O-N 3.33Å; I162-K164 VanDerWaalsContact C-N 3.28Å; I162-K164 PolarHBondContact O-N 3.44Å; K164-F166 PolarHBondContact O-N 3.03Å; K164-R167 PolarHBondContact O-N 3.41Å; K164-R167 VanDerWaalsContact O-N 3.17Å; K164-D168 WeakPolarHBondContact CE-OD2 3.44Å; K164-D168 VanDerWaalsContact CG-OD2 3.24Å; K164-D168 WeakPolarHBondContact CG-OD2 3.48Å; K164-D168 WeakPolarHBondContact O-CB 3.5Å; K164-D168 PolarHBondContact O-N 3.29Å |
| 165 | L | 98.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -51.9 | -54.3 | 175.9 | 173.3 | 67.8 | 0 | 0 | 0 | 111.8 | L26 I122 Y151 I153 T161 I162 R167 D168 L169 | L26-L165 HydrophobicContact CD1-CD2 4.48Å; I122-L165 HydrophobicContact CD1-CD1 4.48Å; I122-L165 HydrophobicContact CD1-CD2 3.78Å; Y151-L165 HydrophobicContact CD1-CD1 3.94Å; Y151-L165 HydrophobicContact CD2-CD1 3.73Å; Y151-L165 HydrophobicContact CE1-CD1 4.18Å; Y151-L165 HydrophobicContact CE2-CD1 3.98Å; Y151-L165 HydrophobicContact CG-CD1 3.71Å; I153-L165 HydrophobicContact CD1-CD2 4.32Å; I153-L165 HydrophobicContact CG2-CD2 4.49Å; T161-L165 PolarHBondContact O-N 2.8Å; I162-L165 WeakPolarHBondContact O-CB 3.3Å; I162-L165 PolarHBondContact O-N 3.33Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 3.03Å; L165-D168 PolarHBondContact O-N 3.17Å; L165-L169 HydrophobicContact CD1-CD1 3.85Å; L165-L169 HydrophobicContact CD1-CG 4.36Å; L165-L169 HydrophobicContact CG-CD1 4.21Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.4Å; L165-L169 PolarHBondContact O-N 3.41Å |
| 166 | F | 98 | Very high | 95.3 | Very high | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 179.6 | -84.3 | -92.8 | 0 | 0 | 0 | 112.4 | I13 L26 F30 L60 I62 L84 I162 K164 T170 | I13-F166 HydrophobicContact CD1-CD1 3.74Å; I13-F166 HydrophobicContact CD1-CE1 3.94Å; I13-F166 HydrophobicContact CG2-CE1 4.3Å; L26-F166 HydrophobicContact CD1-CE2 4.1Å; L26-F166 HydrophobicContact CD2-CE2 4.41Å; L26-F166 HydrophobicContact CG-CE2 4.1Å; L26-F166 HydrophobicContact CG-CZ 4.44Å; F30-F166 HydrophobicContact CB-CD2 4.09Å; F30-F166 HydrophobicContact CB-CE2 3.7Å; F30-F166 HydrophobicContact CB-CZ 4.1Å; F30-F166 HydrophobicContact CD1-CD1 4.16Å; F30-F166 HydrophobicContact CD1-CD2 4.37Å; F30-F166 HydrophobicContact CD1-CE1 4.15Å; F30-F166 HydrophobicContact CD1-CE2 4.36Å; F30-F166 HydrophobicContact CD1-CG 4.27Å; F30-F166 HydrophobicContact CD1-CZ 4.25Å; F30-F166 HydrophobicContact CD2-CB 3.95Å; F30-F166 HydrophobicContact CD2-CD1 4.34Å; F30-F166 AromaticContact CD2-CD2 3.43Å; F30-F166 HydrophobicContact CD2-CD2 3.43Å; F30-F166 VanDerWaalsContact CD2-CD2 3.43Å; F30-F166 AromaticContact CD2-CE2 3.96Å; F30-F166 HydrophobicContact CD2-CE2 3.96Å; F30-F166 AromaticContact CD2-CG 3.64Å; F30-F166 HydrophobicContact CD2-CG 3.64Å; F30-F166 HydrophobicContact CE1-CD1 4.04Å; F30-F166 HydrophobicContact CE1-CE1 4.4Å; F30-F166 HydrophobicContact CE1-CG 4.22Å; F30-F166 HydrophobicContact CE2-CB 3.46Å; F30-F166 VanDerWaalsContact CE2-CB 3.46Å; F30-F166 HydrophobicContact CE2-CD1 4.25Å; F30-F166 AromaticContact CE2-CD2 3.89Å; F30-F166 HydrophobicContact CE2-CD2 3.89Å; F30-F166 AromaticContact CE2-CG 3.6Å; F30-F166 HydrophobicContact CE2-CG 3.6Å; F30-F166 HydrophobicContact CG-CD1 4.28Å; F30-F166 AromaticContact CG-CD2 3.69Å; F30-F166 HydrophobicContact CG-CD2 3.69Å; F30-F166 HydrophobicContact CG-CE1 4.33Å; F30-F166 AromaticContact CG-CE2 3.74Å; F30-F166 HydrophobicContact CG-CE2 3.74Å; F30-F166 AromaticContact CG-CG 3.97Å; F30-F166 HydrophobicContact CG-CG 3.97Å; F30-F166 HydrophobicContact CG-CZ 4.06Å; F30-F166 HydrophobicContact CZ-CB 3.83Å; F30-F166 HydrophobicContact CZ-CD1 4.09Å; F30-F166 AromaticContact CZ-CG 3.9Å; F30-F166 HydrophobicContact CZ-CG 3.9Å; L60-F166 HydrophobicContact CD1-CD1 4.22Å; I62-F166 HydrophobicContact CD1-CD1 4.09Å; I62-F166 HydrophobicContact CD1-CE1 3.52Å; I62-F166 HydrophobicContact CD1-CZ 4.18Å; I62-F166 HydrophobicContact CG1-CE1 4.13Å; I62-F166 HydrophobicContact CG2-CE1 4.49Å; L84-F166 HydrophobicContact CD1-CE1 3.8Å; L84-F166 HydrophobicContact CD1-CE2 4.18Å; L84-F166 HydrophobicContact CD1-CZ 3.58Å; I162-F166 HydrophobicContact CG2-CD2 4.07Å; I162-F166 HydrophobicContact CG2-CE2 4.04Å; I162-F166 WeakPolarHBondContact O-CD2 3.3Å; I162-F166 PolarHBondContact O-N 2.96Å; I162-F166 VanDerWaalsContact O-N 3.17Å; K164-F166 PolarHBondContact O-N 3.03Å; F166-T170 VanDerWaalsContact O-CB 3.25Å; F166-T170 WeakPolarHBondContact O-CB 3.1Å; F166-T170 PolarHBondContact O-N 2.97Å; F166-T170 PolarHBondContact O-OG1 3.44Å |
| 167 | R | 97.4 | Very high | 94.8 | Very high | 90 Ų | 90 | 53.2 Ų | 53.2 | 34% | 0.34 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -51.9 | 178.1 | -177.2 | -163.7 | 63.1 | -143.5 | -3.8 | 111.9 | M51 V53 K163 K164 L165 L169 T170 E171 | M51-R167 HydrophobicContact CE-CB 4.31Å; M51-R167 HydrophobicContact SD-CB 4.2Å; V53-R167 HydrophobicContact CG2-CG 4.14Å; K163-R167 WeakPolarHBondContact O-CB 3.14Å; K163-R167 PolarHBondContact O-N 3.17Å; K164-R167 PolarHBondContact O-N 3.41Å; K164-R167 VanDerWaalsContact O-N 3.17Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 3.03Å; R167-L169 VanDerWaalsContact C-N 3.26Å; R167-L169 PolarHBondContact O-N 3.3Å; R167-T170 WeakPolarHBondContact O-CB 3.4Å; R167-T170 PolarHBondContact O-N 3.28Å; R167-T170 VanDerWaalsContact O-N 3.15Å; R167-E171 WeakPolarHBondContact O-CB 3.24Å; R167-E171 PolarHBondContact O-N 3.31Å |
| 168 | D | 97.4 | Very high | 94.4 | Very high | 34 Ų | 34 | 53.4 Ų | 53.4 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -38.9 | -175.4 | -62.9 | -3.2 | 0 | 0 | 0 | 110.2 | K164 L165 E172 | K164-D168 WeakPolarHBondContact CE-OD2 3.44Å; K164-D168 VanDerWaalsContact CG-OD2 3.24Å; K164-D168 WeakPolarHBondContact CG-OD2 3.48Å; K164-D168 WeakPolarHBondContact O-CB 3.5Å; K164-D168 PolarHBondContact O-N 3.29Å; L165-D168 PolarHBondContact O-N 3.17Å; D168-E172 PolarHBondContact O-N 3.43Å |
| 169 | L | 96.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 174.7 | -66.5 | 177.4 | 0 | 0 | 0 | 113.2 | I82 L84 M118 C120 K149 Y151 L165 R167 S173 | I82-L169 HydrophobicContact CD1-CB 4.33Å; L84-L169 HydrophobicContact CD2-CD1 3.28Å; M118-L169 HydrophobicContact CE-CB 3.65Å; M118-L169 HydrophobicContact CE-CD2 3.67Å; M118-L169 HydrophobicContact CE-CG 4.22Å; M118-L169 WeakPolarHBondContact CE-O 3.45Å; M118-L169 HydrophobicContact SD-CD2 4.35Å; C120-L169 HydrophobicContact CB-CD1 4.08Å; C120-L169 HydrophobicContact CB-CD2 4.14Å; K149-L169 HydrophobicContact CD-CD2 3.49Å; K149-L169 VanDerWaalsContact CD-CD2 3.49Å; Y151-L169 HydrophobicContact CE2-CD2 4.47Å; L165-L169 HydrophobicContact CD1-CD1 3.85Å; L165-L169 HydrophobicContact CD1-CG 4.36Å; L165-L169 HydrophobicContact CG-CD1 4.21Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.4Å; L165-L169 PolarHBondContact O-N 3.41Å; R167-L169 VanDerWaalsContact C-N 3.26Å; R167-L169 PolarHBondContact O-N 3.3Å; L169-S173 WeakPolarHBondContact O-CB 3.44Å; L169-S173 PolarHBondContact O-N 2.68Å |
| 170 | T | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 176.9 | -62.2 | 0 | 0 | 0 | 0 | 110.6 | I11 M51 V53 C58 L60 F166 R167 E172 S173 L174 | I11-T170 HydrophobicContact CD1-CG2 3.54Å; M51-T170 HydrophobicContact CE-CG2 3.77Å; M51-T170 WeakPolarHBondContact CE-OG1 3.37Å; V53-T170 HydrophobicContact CB-CG2 4.28Å; V53-T170 HydrophobicContact CG2-CG2 3.59Å; C58-T170 HydrophobicContact CB-CG2 4.31Å; L60-T170 HydrophobicContact CD2-CG2 3.93Å; F166-T170 VanDerWaalsContact O-CB 3.25Å; F166-T170 WeakPolarHBondContact O-CB 3.1Å; F166-T170 PolarHBondContact O-N 2.97Å; F166-T170 PolarHBondContact O-OG1 3.44Å; R167-T170 WeakPolarHBondContact O-CB 3.4Å; R167-T170 PolarHBondContact O-N 3.28Å; R167-T170 VanDerWaalsContact O-N 3.15Å; T170-E172 PolarHBondContact O-N 3.07Å; T170-S173 PolarHBondContact O-N 3.43Å; T170-L174 HydrophobicContact CG2-CD1 4.29Å; T170-L174 VanDerWaalsContact O-CG 3.29Å; T170-L174 WeakPolarHBondContact O-CG 3.25Å; T170-L174 PolarHBondContact O-N 2.87Å; T170-L174 VanDerWaalsContact O-N 3.11Å |
| 171 | E | 95.2 | Very high | 91.8 | Very high | 72 Ų | 72 | 55 Ų | 55 | 34% | 0.336 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.7 | -50.3 | 178 | -178 | 163.8 | -175.9 | 0 | 0 | 111.6 | V53 C54 R167 S173 L174 L175 | V53-E171 HydrophobicContact CG1-CB 3.49Å; V53-E171 VanDerWaalsContact CG1-CB 3.49Å; V53-E171 HydrophobicContact CG1-CG 4.05Å; C54-E171 VanDerWaalsContact SG-CG 3.52Å; C54-E171 PolarHBondContact SG-OE1 2.97Å; R167-E171 WeakPolarHBondContact O-CB 3.24Å; R167-E171 PolarHBondContact O-N 3.31Å; E171-S173 PolarHBondContact O-N 3.38Å; E171-L174 PolarHBondContact O-N 3.4Å; E171-L175 HydrophobicContact CG-CD1 4.33Å; E171-L175 WeakPolarHBondContact O-CG 3.31Å; E171-L175 PolarHBondContact O-N 2.82Å |
| 172 | E | 94.2 | Very high | 90.6 | Very high | 66 Ų | 66 | 55.8 Ų | 55.8 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | -178.4 | -171.7 | 166 | 154.7 | 0 | 0 | 113.2 | M118 K149 D168 T170 L174 L175 N176 | M118-E172 HydrophobicContact SD-CB 4.1Å; M118-E172 HydrophobicContact SD-CG 4.11Å; K149-E172 WeakPolarHBondContact CE-OE1 3.38Å; K149-E172 WeakPolarHBondContact CE-OE2 3.39Å; K149-E172 IonicContact NZ-OE1 3.28Å; K149-E172 PolarHBondContact NZ-OE1 3.04Å; K149-E172 IonicContact NZ-OE2 2.67Å; K149-E172 PolarHBondContact NZ-OE2 3.43Å; D168-E172 PolarHBondContact O-N 3.43Å; T170-E172 PolarHBondContact O-N 3.07Å; E172-L174 VanDerWaalsContact C-N 3.28Å; E172-L174 PolarHBondContact O-N 2.79Å; E172-L175 PolarHBondContact O-N 3.19Å; E172-N176 WeakPolarHBondContact O-CB 3.48Å; E172-N176 VanDerWaalsContact O-CG 3.28Å; E172-N176 PolarHBondContact O-N 2.69Å; E172-N176 PolarHBondContact O-ND2 3.4Å |
| 173 | S | 92.2 | Very high | 89.5 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 173.9 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | L169 T170 E171 N176 R177 | L169-S173 WeakPolarHBondContact O-CB 3.44Å; L169-S173 PolarHBondContact O-N 2.68Å; T170-S173 PolarHBondContact O-N 3.43Å; E171-S173 PolarHBondContact O-N 3.38Å; S173-N176 PolarHBondContact O-N 2.89Å; S173-R177 WeakPolarHBondContact O-CG 3.33Å; S173-R177 PolarHBondContact O-N 3.29Å; S173-R177 VanDerWaalsContact O-N 3.12Å |
| 174 | L | 90.7 | Very high | 88 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 176.1 | -65.4 | 168.4 | 0 | 0 | 0 | 111.9 | N9 I11 V53 C58 T170 E171 E172 N176 R177 E178 | N9-L174 HydrophobicContact CB-CD2 3.8Å; I11-L174 HydrophobicContact CD1-CD1 4.4Å; I11-L174 HydrophobicContact CD1-CD2 3.75Å; I11-L174 HydrophobicContact CD1-CG 3.77Å; I11-L174 HydrophobicContact CG1-CD2 4.37Å; V53-L174 HydrophobicContact CB-CD1 4.49Å; V53-L174 HydrophobicContact CG1-CD1 4.45Å; C58-L174 VanDerWaalsContact SG-CD1 3.54Å; T170-L174 HydrophobicContact CG2-CD1 4.29Å; T170-L174 VanDerWaalsContact O-CG 3.29Å; T170-L174 WeakPolarHBondContact O-CG 3.25Å; T170-L174 PolarHBondContact O-N 2.87Å; T170-L174 VanDerWaalsContact O-N 3.11Å; E171-L174 PolarHBondContact O-N 3.4Å; E172-L174 VanDerWaalsContact C-N 3.28Å; E172-L174 PolarHBondContact O-N 2.79Å; L174-N176 VanDerWaalsContact C-N 3.29Å; L174-N176 PolarHBondContact O-N 2.74Å; L174-R177 WeakPolarHBondContact O-CB 3.47Å; L174-R177 PolarHBondContact O-N 3.43Å; L174-R177 VanDerWaalsContact O-N 3.16Å; L174-E178 PolarHBondContact O-N 2.87Å; L174-E178 VanDerWaalsContact O-N 3.09Å |
| 175 | L | 90.3 | Very high | 86.8 | Confident | 71 Ų | 71 | 56.7 Ų | 56.7 | 37% | 0.372 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 177.3 | -68.3 | 172.9 | 0 | 0 | 0 | 112 | E171 E172 R177 E178 R179 | E171-L175 HydrophobicContact CG-CD1 4.33Å; E171-L175 WeakPolarHBondContact O-CG 3.31Å; E171-L175 PolarHBondContact O-N 2.82Å; E172-L175 PolarHBondContact O-N 3.19Å; L175-R177 VanDerWaalsContact C-N 3.35Å; L175-E178 PolarHBondContact O-N 3.18Å; L175-R179 WeakPolarHBondContact O-CG 3.2Å; L175-R179 PolarHBondContact O-N 3.5Å |
| 176 | N | 88.3 | Confident | 85 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 21% | 0.214 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.7 | -33.3 | 177.9 | -71.8 | -18.8 | 0 | 0 | 0 | 112.5 | E172 S173 L174 R179 S180 | E172-N176 WeakPolarHBondContact O-CB 3.48Å; E172-N176 VanDerWaalsContact O-CG 3.28Å; E172-N176 PolarHBondContact O-N 2.69Å; E172-N176 PolarHBondContact O-ND2 3.4Å; S173-N176 PolarHBondContact O-N 2.89Å; L174-N176 VanDerWaalsContact C-N 3.29Å; L174-N176 PolarHBondContact O-N 2.74Å; N176-R179 PolarHBondContact OD1-NH1 2.77Å; N176-S180 PolarHBondContact O-N 3.26Å; N176-S180 VanDerWaalsContact O-N 3.16Å; N176-S180 PolarHBondContact O-OG 2.59Å |
| 177 | R | 84.7 | Confident | 83 | Confident | 91 Ų | 91 | 67.5 Ų | 67.5 | 34% | 0.343 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 172.6 | -73.3 | 173.6 | 171.2 | -174.5 | -1.3 | 111.8 | E10 D81 S173 L174 L175 S180 S181 | E10-R177 PolarHBondContact O-NH1 3.41Å; E10-R177 PolarHBondContact O-NH2 2.83Å; D81-R177 IonicContact OD1-NH2 2.88Å; D81-R177 PolarHBondContact OD1-NH2 3.44Å; D81-R177 IonicContact OD2-NH2 2.95Å; D81-R177 PolarHBondContact OD2-NH2 3.42Å; S173-R177 WeakPolarHBondContact O-CG 3.33Å; S173-R177 PolarHBondContact O-N 3.29Å; S173-R177 VanDerWaalsContact O-N 3.12Å; L174-R177 WeakPolarHBondContact O-CB 3.47Å; L174-R177 PolarHBondContact O-N 3.43Å; L174-R177 VanDerWaalsContact O-N 3.16Å; L175-R177 VanDerWaalsContact C-N 3.35Å; R177-S180 PolarHBondContact O-N 3.41Å; R177-S181 PolarHBondContact O-N 3.06Å; R177-S181 VanDerWaalsContact O-N 3.08Å; R177-S181 PolarHBondContact O-OG 2.67Å |
| 178 | E | 83.4 | Confident | 81.1 | Confident | 102 Ų | 102 | 67.1 Ų | 67.1 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 177.9 | -69.8 | 179.2 | 177.8 | 0 | 0 | 113 | L174 L175 S180 S181 T182 | L174-E178 PolarHBondContact O-N 2.87Å; L174-E178 VanDerWaalsContact O-N 3.09Å; L175-E178 PolarHBondContact O-N 3.18Å; E178-S180 VanDerWaalsContact C-N 3.32Å; E178-S180 PolarHBondContact O-N 2.85Å; E178-S181 PolarHBondContact O-N 3.19Å; E178-S181 PolarHBondContact O-OG 2.88Å; E178-T182 WeakPolarHBondContact O-CB 3.38Å; E178-T182 PolarHBondContact O-N 3.31Å; E178-T182 PolarHBondContact O-OG1 2.98Å |
| 179 | R | 82.6 | Confident | 79.2 | Confident | 153 Ų | 153 | 71.2 Ų | 71.2 | 58% | 0.577 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.5 | -43.1 | 174.1 | -73.8 | 171.9 | -179.4 | 162 | -2.3 | 111.4 | L175 N176 T182 L183 | L175-R179 WeakPolarHBondContact O-CG 3.2Å; L175-R179 PolarHBondContact O-N 3.5Å; N176-R179 PolarHBondContact OD1-NH1 2.77Å; R179-T182 PolarHBondContact O-N 3.25Å; R179-L183 WeakPolarHBondContact O-CB 3.23Å; R179-L183 VanDerWaalsContact O-CG 3.26Å; R179-L183 WeakPolarHBondContact O-CG 3.42Å; R179-L183 PolarHBondContact O-N 2.89Å |
| 180 | S | 78.4 | Confident | 77 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | -179.5 | -55.5 | 0 | 0 | 0 | 0 | 112 | N176 R177 E178 A184 | N176-S180 PolarHBondContact O-N 3.26Å; N176-S180 VanDerWaalsContact O-N 3.16Å; N176-S180 PolarHBondContact O-OG 2.59Å; R177-S180 PolarHBondContact O-N 3.41Å; E178-S180 VanDerWaalsContact C-N 3.32Å; E178-S180 PolarHBondContact O-N 2.85Å; S180-A184 WeakPolarHBondContact O-CB 3.39Å; S180-A184 PolarHBondContact O-N 3.12Å |
| 181 | S | 74.3 | Confident | 74.8 | Confident | 64 Ų | 64 | 83 Ų | 83 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 176.5 | 64.6 | 0 | 0 | 0 | 0 | 112.7 | R177 E178 A184 T185 | R177-S181 PolarHBondContact O-N 3.06Å; R177-S181 VanDerWaalsContact O-N 3.08Å; R177-S181 PolarHBondContact O-OG 2.67Å; E178-S181 PolarHBondContact O-N 3.19Å; E178-S181 PolarHBondContact O-OG 2.88Å; S181-A184 PolarHBondContact O-N 3.32Å; S181-T185 PolarHBondContact O-N 2.88Å; S181-T185 PolarHBondContact O-OG1 2.85Å |
| 182 | T | 72.8 | Confident | 72.6 | Confident | 70 Ų | 70 | 86.5 Ų | 86.5 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 177.4 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | E178 R179 T185 Q186 | E178-T182 WeakPolarHBondContact O-CB 3.38Å; E178-T182 PolarHBondContact O-N 3.31Å; E178-T182 PolarHBondContact O-OG1 2.98Å; R179-T182 PolarHBondContact O-N 3.25Å; T182-T185 PolarHBondContact O-N 3.38Å; T182-Q186 WeakPolarHBondContact O-CG 3.3Å; T182-Q186 PolarHBondContact O-N 3.5Å |
| 183 | L | 73.3 | Confident | 69.9 | Low | 94 Ų | 94 | 89.9 Ų | 89.9 | 49% | 0.492 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 176.3 | -72.6 | 169.6 | 0 | 0 | 0 | 111.7 | R179 T185 Q186 M187 | R179-L183 WeakPolarHBondContact O-CB 3.23Å; R179-L183 VanDerWaalsContact O-CG 3.26Å; R179-L183 WeakPolarHBondContact O-CG 3.42Å; R179-L183 PolarHBondContact O-N 2.89Å; L183-T185 VanDerWaalsContact C-N 3.31Å; L183-T185 PolarHBondContact O-N 3.49Å; L183-Q186 PolarHBondContact O-N 3.36Å; L183-M187 WeakPolarHBondContact O-CB 3.49Å; L183-M187 WeakPolarHBondContact O-CG 3.32Å; L183-M187 PolarHBondContact O-N 3.28Å |
| 184 | A | 68.1 | Low | 67.4 | Low | 60 Ų | 60 | 98.9 Ų | 98.9 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S180 S181 M187 S188 | S180-A184 WeakPolarHBondContact O-CB 3.39Å; S180-A184 PolarHBondContact O-N 3.12Å; S181-A184 PolarHBondContact O-N 3.32Å; A184-M187 PolarHBondContact O-N 2.83Å; A184-S188 WeakPolarHBondContact O-CB 3.42Å; A184-S188 PolarHBondContact O-N 2.88Å |
| 185 | T | 70 | Confident | 64.9 | Low | 81 Ų | 81 | 103.2 Ų | 103.2 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 177.2 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | S181 T182 L183 S188 Q189 | S181-T185 PolarHBondContact O-N 2.88Å; S181-T185 PolarHBondContact O-OG1 2.85Å; T182-T185 PolarHBondContact O-N 3.38Å; L183-T185 VanDerWaalsContact C-N 3.31Å; L183-T185 PolarHBondContact O-N 3.49Å; T185-S188 PolarHBondContact O-N 3.18Å; T185-Q189 WeakPolarHBondContact O-CG 2.87Å; T185-Q189 PolarHBondContact O-N 2.89Å; T185-Q189 VanDerWaalsContact O-N 3.15Å |
| 186 | Q | 60.9 | Low | 62.3 | Low | 109 Ų | 109 | 106.4 Ų | 106.4 | 51% | 0.509 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 177 | -70.7 | 177.2 | 11.6 | 0 | 0 | 112.5 | T182 L183 Q189 K190 | T182-Q186 WeakPolarHBondContact O-CG 3.3Å; T182-Q186 PolarHBondContact O-N 3.5Å; L183-Q186 PolarHBondContact O-N 3.36Å; Q186-Q189 PolarHBondContact O-N 3.02Å; Q186-K190 WeakPolarHBondContact O-CB 3.35Å; Q186-K190 PolarHBondContact O-N 2.87Å |
| 187 | M | 56.8 | Low | 60.1 | Low | 121 Ų | 121 | 111.6 Ų | 111.6 | 60% | 0.596 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.6 | -39.7 | 175.9 | -76.2 | -178.6 | 168.9 | 0 | 0 | 112 | L183 A184 Q189 K190 N191 | L183-M187 WeakPolarHBondContact O-CB 3.49Å; L183-M187 WeakPolarHBondContact O-CG 3.32Å; L183-M187 PolarHBondContact O-N 3.28Å; A184-M187 PolarHBondContact O-N 2.83Å; M187-Q189 VanDerWaalsContact C-N 3.3Å; M187-Q189 PolarHBondContact O-N 3.05Å; M187-K190 PolarHBondContact O-N 3.26Å; M187-N191 WeakPolarHBondContact O-CB 3.4Å; M187-N191 PolarHBondContact O-N 3.38Å |
| 188 | S | 58.1 | Low | 57.9 | Low | 82 Ų | 82 | 113.8 Ų | 113.8 | 57% | 0.573 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.6 | -40.7 | 173.7 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | A184 T185 Q192 | A184-S188 WeakPolarHBondContact O-CB 3.42Å; A184-S188 PolarHBondContact O-N 2.88Å; T185-S188 PolarHBondContact O-N 3.18Å; S188-Q192 PolarHBondContact O-N 3.07Å |
| 189 | Q | 55.9 | Low | 55.8 | Low | 121 Ų | 121 | 117.4 Ų | 117.4 | 57% | 0.565 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.7 | -39 | 175.8 | -71 | 175.2 | -0.7 | 0 | 0 | 112 | T185 Q186 M187 L193 | T185-Q189 WeakPolarHBondContact O-CG 2.87Å; T185-Q189 PolarHBondContact O-N 2.89Å; T185-Q189 VanDerWaalsContact O-N 3.15Å; Q186-Q189 PolarHBondContact O-N 3.02Å; M187-Q189 VanDerWaalsContact C-N 3.3Å; M187-Q189 PolarHBondContact O-N 3.05Å; Q189-L193 VanDerWaalsContact O-CD1 3.28Å; Q189-L193 WeakPolarHBondContact O-CD1 3.17Å |
| 190 | K | 51.3 | Low | 53.5 | Low | 139 Ų | 139 | 113.9 Ų | 113.9 | 60% | 0.604 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.4 | -38.2 | -179.9 | -166.1 | 176.1 | -179.6 | -178.7 | 0 | 112.9 | Q186 M187 Q192 L193 W194 | Q186-K190 WeakPolarHBondContact O-CB 3.35Å; Q186-K190 PolarHBondContact O-N 2.87Å; M187-K190 PolarHBondContact O-N 3.26Å; K190-Q192 VanDerWaalsContact C-N 3.32Å; K190-L193 WeakPolarHBondContact O-CB 3.48Å; K190-L193 PolarHBondContact O-N 2.9Å; K190-W194 VanDerWaalsContact O-CD1 3.32Å |
| 191 | N | 48.6 | Very low | 51.2 | Low | 110 Ų | 110 | 113.9 Ų | 113.9 | 59% | 0.588 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70 | -29.6 | 176.7 | -78.7 | 1.5 | 0 | 0 | 0 | 112.2 | M187 L193 W194 V195 | M187-N191 WeakPolarHBondContact O-CB 3.4Å; M187-N191 PolarHBondContact O-N 3.38Å; N191-L193 PolarHBondContact O-N 3.35Å; N191-W194 PolarHBondContact O-N 3.01Å; N191-V195 WeakPolarHBondContact O-CG2 3.29Å |
| 192 | Q | 48.9 | Very low | 49.2 | Very low | 147 Ų | 147 | 120.1 Ų | 120.1 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.6 | -22.3 | 172.6 | -162.2 | 167.1 | 27.3 | 0 | 0 | 112.6 | S188 K190 | S188-Q192 PolarHBondContact O-N 3.07Å; K190-Q192 VanDerWaalsContact C-N 3.32Å |
| 193 | L | 38 | Very low | 47.3 | Very low | 137 Ų | 137 | 123.9 Ų | 123.9 | 72% | 0.717 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -75.8 | -23.9 | 174.7 | -97.9 | 89.4 | 0 | 0 | 0 | 114.2 | Q189 K190 N191 | Q189-L193 VanDerWaalsContact O-CD1 3.28Å; Q189-L193 WeakPolarHBondContact O-CD1 3.17Å; K190-L193 WeakPolarHBondContact O-CB 3.48Å; K190-L193 PolarHBondContact O-N 2.9Å; N191-L193 PolarHBondContact O-N 3.35Å |
| 194 | W | 40.9 | Very low | 45.4 | Very low | 198 Ų | 198 | 126.7 Ų | 126.7 | 75% | 0.75 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -97.8 | 2 | -176.4 | -69.6 | 96 | 0 | 0 | 0 | 114.6 | K190 N191 N196 | K190-W194 VanDerWaalsContact O-CD1 3.32Å; N191-W194 PolarHBondContact O-N 3.01Å; W194-N196 VanDerWaalsContact C-N 3.32Å; W194-N196 PolarHBondContact O-N 3.14Å |
| 195 | V | 36.4 | Very low | 43.8 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 65% | 0.648 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 3.2 | -178.9 | 175.6 | 0 | 0 | 0 | 0 | 113.1 | N191 | N191-V195 WeakPolarHBondContact O-CG2 3.29Š|
| 196 | N | 37.6 | Very low | 42.4 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 3.8 | -176.5 | -72.6 | -16.1 | 0 | 0 | 0 | 116.4 | W194 | W194-N196 VanDerWaalsContact C-N 3.32Å; W194-N196 PolarHBondContact O-N 3.14Å |
| 197 | D | 42.1 | Very low | 41.4 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -126.4 | 67.2 | 175.8 | -75.4 | -35.4 | 0 | 0 | 0 | 111.3 | ||
| 198 | T | 38.1 | Very low | 40.5 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | trans | -166.6 | 113.1 | 144.7 | 11.9 | 0 | 0 | 0 | 0 | 109.1 | G200 | T198-G200 PolarHBondContact O-N 3.14Š| ||
| 199 | D | 39 | Very low | 39.5 | Very low | 178 Ų | 178 | 124.9 Ų | 124.9 | 95% | 0.952 | 70% | 0.701 | S | S | * | * | trans | -61.7 | 123.6 | 176.6 | -163 | 16.9 | 0 | 0 | 0 | 110.1 | ||||
| 200 | G | 33.8 | Very low | 38.6 | Very low | 79 Ų | 79 | 124.6 Ų | 124.6 | 81% | 0.814 | 70% | 0.703 | S | S | * | * | trans | 91.7 | 83.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | T198 | T198-G200 PolarHBondContact O-N 3.14Š| ||
| 201 | G | 30.6 | Very low | 37.8 | Very low | 71 Ų | 71 | 123.9 Ų | 123.9 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | trans | -174 | 123.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I203 | G201-I203 PolarHBondContact O-N 3.01Š| ||
| 202 | E | 32.6 | Very low | 37.2 | Very low | 194 Ų | 194 | 126 Ų | 126 | 91% | 0.907 | 71% | 0.709 | S | S | * | * | trans | -51.1 | 127.3 | -174.7 | -84.9 | 176.6 | 136.8 | 0 | 0 | 114.1 | I204 | E202-I204 PolarHBondContact O-N 2.89Š| ||
| 203 | I | 31.6 | Very low | 36.5 | Very low | 150 Ų | 150 | 122.9 Ų | 122.9 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -73.4 | 104.1 | 176.2 | -57.6 | 168.7 | 0 | 0 | 0 | 108.4 | G201 P205 | G201-I203 PolarHBondContact O-N 3.01Å; I203-P205 WeakPolarHBondContact O-CD 3.49Å | ||
| 204 | I | 35 | Very low | 36.6 | Very low | 153 Ų | 153 | 120 Ų | 120 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | trans | -86.8 | 114.1 | 157.7 | -55.5 | 176.4 | 0 | 0 | 0 | 106.4 | E202 S206 | E202-I204 PolarHBondContact O-N 2.89Å; I204-S206 PolarHBondContact O-N 3.34Å; I204-S206 VanDerWaalsContact O-N 3.1Å | ||
| 205 | P | 34.5 | Very low | 36.6 | Very low | 105 Ų | 105 | 114.7 Ų | 114.7 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | trans | -64.8 | 115.3 | 178 | -13 | 27.3 | 0 | 0 | 0 | 108.6 | I203 D207 | I203-P205 WeakPolarHBondContact O-CD 3.49Å; P205-D207 PolarHBondContact O-N 2.84Å | ||
| 206 | S | 40.2 | Very low | 37.1 | Very low | 120 Ų | 120 | 115.9 Ų | 115.9 | 84% | 0.839 | 68% | 0.676 | S | S | * | * | trans | -72.9 | 84.9 | 167.7 | 60.2 | 0 | 0 | 0 | 0 | 108.3 | I204 G208 | I204-S206 PolarHBondContact O-N 3.34Å; I204-S206 VanDerWaalsContact O-N 3.1Å; S206-G208 PolarHBondContact O-N 3.12Å | ||
| 207 | D | 39.1 | Very low | 37.6 | Very low | 96 Ų | 96 | 119 Ų | 119 | 51% | 0.513 | 68% | 0.677 | S | S | . | * | trans | -63.4 | 108.4 | 175 | -171.1 | 3.6 | 0 | 0 | 0 | 109.3 | P205 S209 I210 | P205-D207 PolarHBondContact O-N 2.84Å; D207-S209 VanDerWaalsContact CG-CB 3.49Å; D207-S209 PolarHBondContact O-N 2.84Å; D207-S209 VanDerWaalsContact OD1-CB 3.24Å; D207-S209 WeakPolarHBondContact OD1-CB 3.49Å; D207-S209 PolarHBondContact OD1-N 2.96Å; D207-S209 VanDerWaalsContact OD1-N 3.11Å; D207-S209 PolarHBondContact OD1-OG 3.14Å; D207-S209 WeakPolarHBondContact OD2-CB 3.42Å; D207-S209 PolarHBondContact OD2-OG 2.77Å; D207-I210 PolarHBondContact O-N 3.48Å; D207-I210 VanDerWaalsContact O-N 3.08Å | ||
| 208 | G | 38.5 | Very low | 38.4 | Very low | 45 Ų | 45 | 115 Ų | 115 | 46% | 0.464 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.3 | -5.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | S206 I210 K212 | S206-G208 PolarHBondContact O-N 3.12Å; G208-I210 VanDerWaalsContact C-N 3.3Å; G208-K212 PolarHBondContact O-N 2.96Å |
| 209 | S | 37.7 | Very low | 39.2 | Very low | 48 Ų | 48 | 111.4 Ų | 111.4 | 34% | 0.336 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -61.4 | -34.1 | 168.1 | 78.4 | 0 | 0 | 0 | 0 | 113.1 | D207 K212 T213 | D207-S209 VanDerWaalsContact CG-CB 3.49Å; D207-S209 PolarHBondContact O-N 2.84Å; D207-S209 VanDerWaalsContact OD1-CB 3.24Å; D207-S209 WeakPolarHBondContact OD1-CB 3.49Å; D207-S209 PolarHBondContact OD1-N 2.96Å; D207-S209 VanDerWaalsContact OD1-N 3.11Å; D207-S209 PolarHBondContact OD1-OG 3.14Å; D207-S209 WeakPolarHBondContact OD2-CB 3.42Å; D207-S209 PolarHBondContact OD2-OG 2.77Å; S209-K212 PolarHBondContact O-N 2.92Å; S209-T213 PolarHBondContact O-N 2.64Å; S209-T213 PolarHBondContact O-OG1 3.22Å |
| 210 | I | 35.9 | Very low | 39.8 | Very low | 115 Ų | 115 | 112.6 Ų | 112.6 | 59% | 0.59 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.9 | -42.9 | -179.2 | -60.3 | 177 | 0 | 0 | 0 | 109.9 | D207 G208 K212 T213 V214 | D207-I210 PolarHBondContact O-N 3.48Å; D207-I210 VanDerWaalsContact O-N 3.08Å; G208-I210 VanDerWaalsContact C-N 3.3Å; I210-K212 PolarHBondContact O-N 3.36Å; I210-T213 PolarHBondContact O-N 2.75Å; I210-V214 WeakPolarHBondContact O-CG2 3.22Å; I210-V214 PolarHBondContact O-N 3.25Å |
| 211 | L | 33.9 | Very low | 40.7 | Very low | 124 Ų | 124 | 110.4 Ų | 110.4 | 65% | 0.649 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.3 | -42.8 | 177.6 | -69.3 | 174.3 | 0 | 0 | 0 | 112 | T213 V214 I215 | L211-T213 VanDerWaalsContact C-N 3.28Å; L211-T213 PolarHBondContact O-N 2.8Å; L211-V214 PolarHBondContact O-N 2.94Å; L211-I215 WeakPolarHBondContact O-CD1 3.18Å; L211-I215 WeakPolarHBondContact O-CG1 3.37Å; L211-I215 PolarHBondContact O-N 2.7Å; L211-I215 VanDerWaalsContact O-N 3.1Å |
| 212 | K | 37 | Very low | 41.9 | Very low | 154 Ų | 154 | 110 Ų | 110 | 67% | 0.67 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.5 | -41.4 | 173.3 | -79.3 | -175 | 175.5 | 177.9 | 0 | 112.1 | G208 S209 I210 V214 I215 D216 | G208-K212 PolarHBondContact O-N 2.96Å; S209-K212 PolarHBondContact O-N 2.92Å; I210-K212 PolarHBondContact O-N 3.36Å; K212-V214 VanDerWaalsContact C-N 3.32Å; K212-V214 PolarHBondContact O-N 3.31Å; K212-I215 PolarHBondContact O-N 3.13Å; K212-D216 PolarHBondContact O-N 3.46Å |
| 213 | T | 34.9 | Very low | 43.4 | Very low | 83 Ų | 83 | 106 Ų | 106 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69 | -29 | -178.8 | -50.5 | 0 | 0 | 0 | 0 | 112.8 | S209 I210 L211 | S209-T213 PolarHBondContact O-N 2.64Å; S209-T213 PolarHBondContact O-OG1 3.22Å; I210-T213 PolarHBondContact O-N 2.75Å; L211-T213 VanDerWaalsContact C-N 3.28Å; L211-T213 PolarHBondContact O-N 2.8Å |
| 214 | V | 38.3 | Very low | 44.8 | Very low | 76 Ų | 76 | 101.6 Ų | 101.6 | 46% | 0.461 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -78.1 | -36.6 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | I210 L211 K212 D216 | I210-V214 WeakPolarHBondContact O-CG2 3.22Å; I210-V214 PolarHBondContact O-N 3.25Å; L211-V214 PolarHBondContact O-N 2.94Å; K212-V214 VanDerWaalsContact C-N 3.32Å; K212-V214 PolarHBondContact O-N 3.31Å; V214-D216 VanDerWaalsContact C-N 3.27Å; V214-D216 PolarHBondContact O-N 2.93Å |
| 215 | I | 41.1 | Very low | 46.4 | Very low | 87 Ų | 87 | 98.6 Ų | 98.6 | 45% | 0.446 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62 | -33.5 | -179.3 | -68 | 162 | 0 | 0 | 0 | 112.1 | L211 K212 | L211-I215 WeakPolarHBondContact O-CD1 3.18Å; L211-I215 WeakPolarHBondContact O-CG1 3.37Å; L211-I215 PolarHBondContact O-N 2.7Å; L211-I215 VanDerWaalsContact O-N 3.1Å; K212-I215 PolarHBondContact O-N 3.13Å |
| 216 | D | 48 | Very low | 47.7 | Very low | 132 Ų | 132 | 98.1 Ų | 98.1 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 2.4 | -172.1 | -74.5 | -23.1 | 0 | 0 | 0 | 115.3 | K212 V214 R218 | K212-D216 PolarHBondContact O-N 3.46Å; V214-D216 VanDerWaalsContact C-N 3.27Å; V214-D216 PolarHBondContact O-N 2.93Å; D216-R218 VanDerWaalsContact C-N 3.26Å; D216-R218 PolarHBondContact O-N 3.32Å |
| 217 | R | 46.6 | Very low | 48.3 | Very low | 202 Ų | 202 | 96.2 Ų | 96.2 | 76% | 0.762 | 51% | 0.509 | S | S | * | . | trans | -75.3 | 77.6 | 177.1 | -67.7 | -166.7 | -171.9 | -167.7 | 4.2 | 111.5 | ||||
| 218 | R | 60.5 | Low | 48.6 | Very low | 67 Ų | 67 | 97.7 Ų | 97.7 | 25% | 0.253 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 141.2 | 171.7 | -162.1 | -156.6 | -172.4 | 66 | 24.4 | 111.3 | H12 W79 D216 | H12-R218 PolarHBondContact CD2-NH1 3.49Å; H12-R218 PolarHBondContact CD2-NH2 3.09Å; H12-R218 PolarHBondContact CE1-NH1 3.08Å; H12-R218 PolarHBondContact ND1-NH1 3.5Å; H12-R218 PolarHBondContact NE2-NE 3.3Å; H12-R218 PolarHBondContact NE2-NH1 2.58Å; W79-R218 PolarHBondContact O-NH2 2.94Å; D216-R218 VanDerWaalsContact C-N 3.26Å; D216-R218 PolarHBondContact O-N 3.32Å |
| 219 | S | 54.4 | Low | 48.7 | Very low | 60 Ų | 60 | 100.9 Ų | 100.9 | 42% | 0.42 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 139 | 159.6 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | S221 | S219-S221 PolarHBondContact O-N 3.39Š|
| 220 | K | 51 | Low | 48.4 | Very low | 203 Ų | 203 | 105.3 Ų | 105.3 | 88% | 0.883 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 130.9 | 176.3 | -70.7 | -176.4 | 178.8 | 177.9 | 0 | 109.3 | ||
| 221 | S | 53.6 | Low | 47.9 | Very low | 33 Ų | 33 | 109.3 Ų | 109.3 | 23% | 0.231 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -59.6 | 136.2 | 173.3 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | W79 S219 | W79-S221 PolarHBondContact NE1-OG 3.2Å; S219-S221 PolarHBondContact O-N 3.39Å |
| 222 | P | 54.9 | Low | 47.7 | Very low | 63 Ų | 63 | 109.2 Ų | 109.2 | 41% | 0.409 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 166.5 | 168.3 | -22.2 | 32.7 | 0 | 0 | 0 | 111.9 | V224 | P222-V224 VanDerWaalsContact O-CG2 3.3Å; P222-V224 WeakPolarHBondContact O-CG2 3.23Å; P222-V224 PolarHBondContact O-N 2.89Å |
| 223 | S | 64.6 | Low | 47.2 | Very low | 109 Ų | 109 | 111.4 Ų | 111.4 | 76% | 0.762 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -38 | 123.3 | -179.3 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 224 | V | 60.6 | Low | 46.6 | Very low | 59 Ų | 59 | 115.3 Ų | 115.3 | 36% | 0.358 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 126.8 | -166.1 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | C48 W61 P222 V226 | C48-V224 HydrophobicContact CB-CG1 3.77Å; W61-V224 HydrophobicContact CE3-CG1 4.27Å; W61-V224 HydrophobicContact CE3-CG2 4.47Å; W61-V224 HydrophobicContact CH2-CG1 4.29Å; W61-V224 HydrophobicContact CH2-CG2 4.28Å; W61-V224 HydrophobicContact CZ3-CB 4.15Å; W61-V224 HydrophobicContact CZ3-CG1 3.52Å; W61-V224 HydrophobicContact CZ3-CG2 3.53Å; P222-V224 VanDerWaalsContact O-CG2 3.3Å; P222-V224 WeakPolarHBondContact O-CG2 3.23Å; P222-V224 PolarHBondContact O-N 2.89Å; V224-V226 HydrophobicContact CG1-CG2 4.37Å |
| 225 | K | 68.1 | Low | 46.2 | Very low | 89 Ų | 89 | 116.9 Ų | 116.9 | 39% | 0.387 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 115 | 167.8 | -69 | 173.3 | -178.4 | 161.3 | 0 | 109.8 | D45 T46 Y47 C48 Y227 | D45-K225 IonicContact OD1-NZ 2.69Å; D45-K225 IonicContact OD2-NZ 2.9Å; D45-K225 PolarHBondContact OD2-NZ 3.16Å; T46-K225 PolarHBondContact O-N 3.24Å; Y47-K225 HydrophobicContact CD1-CB 4.1Å; Y47-K225 HydrophobicContact CE1-CB 4.28Å; Y47-K225 HydrophobicContact CE1-CD 4Å; C48-K225 PolarHBondContact N-O 3.09Å; K225-Y227 HydrophobicContact CB-CD2 4.41Å; K225-Y227 HydrophobicContact CB-CE2 3.82Å |
| 226 | V | 63.5 | Low | 45.6 | Very low | 96 Ų | 96 | 119 Ų | 119 | 58% | 0.582 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 120.1 | 178.1 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | V224 | V224-V226 HydrophobicContact CG1-CG2 4.37Å |
| 227 | Y | 52.2 | Low | 44.6 | Very low | 79 Ų | 79 | 118.8 Ų | 118.8 | 31% | 0.31 | 63% | 0.627 | S | S | . | * | trans | -106.9 | 81 | 171.4 | -70.8 | -105.9 | 0 | 0 | 0 | 108.4 | M31 T32 Y47 K225 | M31-Y227 HydrophobicContact CB-CG 4.42Å; M31-Y227 HydrophobicContact CE-CD2 3.61Å; M31-Y227 HydrophobicContact CE-CG 3.82Å; T32-Y227 HydrophobicContact CG2-CD1 4.23Å; T32-Y227 HydrophobicContact CG2-CE1 3.86Å; Y47-Y227 HydrophobicContact CD1-CD2 4.07Å; Y47-Y227 AromaticContact CD1-CE2 3.46Å; Y47-Y227 HydrophobicContact CD1-CE2 3.46Å; Y47-Y227 VanDerWaalsContact CD1-CE2 3.46Å; Y47-Y227 AromaticContact CE1-CE2 3.76Å; Y47-Y227 HydrophobicContact CE1-CE2 3.76Å; K225-Y227 HydrophobicContact CB-CD2 4.41Å; K225-Y227 HydrophobicContact CB-CE2 3.82Å | ||
| 228 | D | 45.4 | Very low | 43.8 | Very low | 127 Ų | 127 | 116.4 Ų | 116.4 | 68% | 0.679 | 63% | 0.629 | S | S | * | * | trans | -63.9 | 141.9 | 165.3 | -82.5 | -20.8 | 0 | 0 | 0 | 108.8 | I230 | D228-I230 PolarHBondContact O-N 3.47Š| ||
| 229 | S | 39.7 | Very low | 42.5 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 79% | 0.79 | 66% | 0.655 | S | S | * | * | trans | -46.1 | 102.5 | 176.8 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | K231 | S229-K231 PolarHBondContact O-N 3.13Š| ||
| 230 | I | 31.3 | Very low | 41.4 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 72% | 0.723 | 67% | 0.673 | S | S | * | * | trans | -52.1 | 114.3 | -179.2 | -65.8 | 169.9 | 0 | 0 | 0 | 106.9 | D228 V232 | D228-I230 PolarHBondContact O-N 3.47Å; I230-V232 PolarHBondContact O-N 2.82Å | ||
| 231 | K | 26.9 | Very low | 40.5 | Very low | 198 Ų | 198 | 127.4 Ų | 127.4 | 86% | 0.861 | 68% | 0.676 | S | S | * | * | trans | -52 | 109.7 | 165.8 | -75.8 | -176.6 | 178.3 | -179.9 | 0 | 106.2 | S229 K233 | S229-K231 PolarHBondContact O-N 3.13Å; K231-K233 VanDerWaalsContact C-N 3.31Å; K231-K233 PolarHBondContact O-N 3.43Å | ||
| 232 | V | 28.4 | Very low | 39.4 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 75% | 0.745 | 70% | 0.702 | S | S | * | * | trans | -63 | 96.6 | 177.8 | 178.2 | 0 | 0 | 0 | 0 | 106.9 | I230 M234 | I230-V232 PolarHBondContact O-N 2.82Å; V232-M234 PolarHBondContact O-N 2.85Å; V232-M234 VanDerWaalsContact O-N 3.13Å | ||
| 233 | K | 26.1 | Very low | 39 | Very low | 200 Ų | 200 | 136.3 Ų | 136.3 | 87% | 0.87 | 72% | 0.718 | S | S | * | * | trans | -68.7 | 106.5 | 162.4 | -132 | 179.8 | -176.5 | -178.4 | 0 | 104.8 | K231 | K231-K233 VanDerWaalsContact C-N 3.31Å; K231-K233 PolarHBondContact O-N 3.43Å | ||
| 234 | M | 24.1 | Very low | 38.1 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 132 | 173.9 | -65.3 | 177.8 | 80.8 | 0 | 0 | 108.1 | V232 | V232-M234 PolarHBondContact O-N 2.85Å; V232-M234 VanDerWaalsContact O-N 3.13Å |
| 235 | P | 29.7 | Very low | 36.8 | Very low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 138.5 | -177 | 24.9 | -31.8 | 0 | 0 | 0 | 109.4 | T237 | P235-T237 PolarHBondContact O-N 3.47Š|
| 236 | P | 28.7 | Very low | 35.4 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 132 | 178.2 | 24.3 | -31 | 0 | 0 | 0 | 109.7 | ||
| 237 | T | 26.7 | Very low | 34.4 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 151.4 | 174.5 | 43.1 | 0 | 0 | 0 | 0 | 111 | P235 | P235-T237 PolarHBondContact O-N 3.47Š|
| 238 | L | 28.7 | Very low | 33.8 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 77.9 | 126.3 | 167.1 | -106.7 | 76.8 | 0 | 0 | 0 | 120.1 | ||
| 239 | H | 33.7 | Very low | 33.4 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | 30 | 100.8 | 146.8 | -68.6 | -32.5 | 0 | 0 | 0 | 118.6 | ||||
| 240 | Q | 32.1 | Very low | 33.5 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | 167.8 | 85.1 | 123.9 | -90.3 | 172.8 | 19.6 | 0 | 0 | 108.6 | K242 | Q240-K242 PolarHBondContact O-N 3.34Å; Q240-K242 VanDerWaalsContact O-N 3.1Å | |||
| 241 | K | 30.6 | Very low | 33.9 | Very low | 219 Ų | 219 | 143.3 Ų | 143.3 | 95% | 0.952 | 75% | 0.747 | S | S | * | * | trans | -71.9 | 96.6 | 163.6 | -88.8 | -177 | 175.1 | 177.4 | 0 | 108.2 | ||||
| 242 | K | 31.8 | Very low | 34.5 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | trans | -95.1 | 102.8 | 163 | -80.9 | -173.9 | 177.4 | 177.5 | 0 | 110.2 | Q240 S244 | Q240-K242 PolarHBondContact O-N 3.34Å; Q240-K242 VanDerWaalsContact O-N 3.1Å; K242-S244 PolarHBondContact O-N 3.48Å | ||
| 243 | S | 46.4 | Very low | 35.4 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 51.9 | 58 | 134.5 | -167.7 | 0 | 0 | 0 | 0 | 120.8 | ||
| 244 | S | 45.1 | Very low | 36.5 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -126.6 | -18.6 | 156.1 | 58.8 | 0 | 0 | 0 | 0 | 114.9 | K242 | K242-S244 PolarHBondContact O-N 3.48Š|
| 245 | G | 33.3 | Very low | 37.6 | Very low | 56 Ų | 56 | 139.5 Ų | 139.5 | 58% | 0.577 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -14.3 | 178 | 0 | 0 | 0 | 0 | 0 | 116.1 | K247 | G245-K247 VanDerWaalsContact C-N 3.34Å; G245-K247 PolarHBondContact O-N 3.4Å |
| 246 | L | 38.6 | Very low | 38.4 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -80.6 | -9.3 | -177.6 | -85.6 | 159.1 | 0 | 0 | 0 | 114.2 | K250 | L246-K250 PolarHBondContact O-N 3.26Å |
| 247 | K | 42.4 | Very low | 39.3 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -75.8 | -34 | 175.4 | -82.2 | -174.2 | 175.7 | -176.8 | 0 | 112.9 | G245 | G245-K247 VanDerWaalsContact C-N 3.34Å; G245-K247 PolarHBondContact O-N 3.4Å |
| 248 | I | 41.3 | Very low | 40.2 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -77.2 | -32.7 | -178.8 | -60.3 | -179.6 | 0 | 0 | 0 | 111 | ||
| 249 | L | 35.1 | Very low | 40.8 | Very low | 115 Ų | 115 | 148 Ų | 148 | 60% | 0.602 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -76.6 | -29 | 179.8 | -123.9 | 114.8 | 0 | 0 | 0 | 113.8 | F252 Q253 | L249-F252 PolarHBondContact O-N 3.1Å; L249-Q253 PolarHBondContact O-N 3.31Å |
| 250 | K | 42.8 | Very low | 41.1 | Very low | 139 Ų | 139 | 148 Ų | 148 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -68.9 | -34.9 | 173.8 | -88.3 | -169 | 172.6 | -169.1 | 0 | 112.8 | L246 F252 Q253 E254 | L246-K250 PolarHBondContact O-N 3.26Å; K250-F252 PolarHBondContact O-N 3.5Å; K250-Q253 PolarHBondContact O-N 3.18Å; K250-Q253 VanDerWaalsContact O-N 3.12Å; K250-E254 PolarHBondContact O-N 3.23Å |
| 251 | L | 39.2 | Very low | 41.6 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -64.1 | -25.2 | 176.4 | -74.6 | 167.5 | 0 | 0 | 0 | 112.9 | ||
| 252 | F | 41 | Very low | 42.1 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -83.4 | -22.4 | 174.8 | -95 | -86.1 | 0 | 0 | 0 | 114 | L249 K250 | L249-F252 PolarHBondContact O-N 3.1Å; K250-F252 PolarHBondContact O-N 3.5Å |
| 253 | Q | 46.9 | Very low | 42.7 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -89.4 | -27.2 | -179.1 | -74.3 | -175.4 | -26.7 | 0 | 0 | 113.7 | L249 K250 | L249-Q253 PolarHBondContact O-N 3.31Å; K250-Q253 PolarHBondContact O-N 3.18Å; K250-Q253 VanDerWaalsContact O-N 3.12Å |
| 254 | E | 48.6 | Very low | 42.5 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -74.2 | -32 | 176.4 | -79.8 | 171.6 | 175.7 | 0 | 0 | 112.3 | K250 Y256 K257 | K250-E254 PolarHBondContact O-N 3.23Å; E254-Y256 PolarHBondContact O-N 3.12Å; E254-K257 PolarHBondContact O-N 3.49Å |
| 255 | K | 47.6 | Very low | 42.3 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 78% | 0.778 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -11 | -178.3 | -141.3 | -179.5 | -176.3 | -177.5 | 0 | 114.9 | ||
| 256 | Y | 45.8 | Very low | 42.9 | Very low | 196 Ų | 196 | 151.5 Ų | 151.5 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 8.6 | 177.9 | -88.2 | -80.5 | 0 | 0 | 0 | 114.3 | E254 | E254-Y256 PolarHBondContact O-N 3.12Š|
| 257 | K | 47 | Very low | 43.3 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -106.1 | 0.3 | 172.8 | -81.6 | -166.6 | 174.5 | -172.2 | 0 | 115.4 | E254 | E254-K257 PolarHBondContact O-N 3.49Š|
| 258 | E | 46.2 | Very low | 43.3 | Very low | 174 Ų | 174 | 152 Ų | 152 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -104.3 | 8.1 | 176.2 | -72.7 | -172.5 | 165.4 | 0 | 0 | 114.6 | ||
| 259 | N | 41.1 | Very low | 43.5 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | -124.6 | 33.1 | 172.9 | -82.7 | -22.8 | 0 | 0 | 0 | 113.6 | ||||
| 260 | S | 40.8 | Very low | 44.3 | Very low | 172 Ų | 172 | 157.9 Ų | 157.9 | 100% | 1.203 | 76% | 0.758 | S | S | * | * | trans | -150.6 | 0 | 163.3 | -61.6 | 0 | 0 | 0 | 0 | 109 |
Retrieved 260 of 260 residues in 376.1 ms
(Link to these results)