| 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 | 34.5 | Very low | 45.3 | Very low | 230 Ų | 230 | 115.9 Ų | 115.9 | 100% | 1.133 | 68% | 0.684 | S | S | * | * | 0 | 121 | 0 | -72.3 | -146.8 | -76 | 0 | 0 | 108.2 | A3 | M1-A3 PolarHBondContact O-N 3.34Š| |||
| 2 | P | 36 | Very low | 49.6 | Very low | 139 Ų | 139 | 108.8 Ų | 108.8 | 90% | 0.903 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 46 | -164.4 | 38.1 | -31.2 | 0 | 0 | 0 | 113.9 | ||
| 3 | A | 31 | Very low | 53.4 | Low | 79 Ų | 79 | 101.8 Ų | 101.8 | 65% | 0.653 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -11.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | M1 | M1-A3 PolarHBondContact O-N 3.34Š|
| 4 | A | 33 | Very low | 56.6 | Low | 78 Ų | 78 | 99.9 Ų | 99.9 | 65% | 0.645 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -1.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 5 | L | 35.1 | Very low | 59.4 | Low | 166 Ų | 166 | 93.2 Ų | 93.2 | 87% | 0.869 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -12.3 | -179.3 | -75.3 | 163.3 | 0 | 0 | 0 | 113.4 | ||
| 6 | A | 31.8 | Very low | 61.9 | Low | 77 Ų | 77 | 88.3 Ų | 88.3 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -91.5 | -22.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 7 | E | 40.5 | Very low | 64 | Low | 152 Ų | 152 | 86.3 Ų | 86.3 | 71% | 0.71 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -79.6 | -29.1 | -175.9 | -75.7 | -176.9 | 163.4 | 0 | 0 | 113.7 | S9 | E7-S9 PolarHBondContact O-N 3.18Š|
| 8 | N | 46 | Very low | 66 | Low | 79 Ų | 79 | 88.7 Ų | 88.7 | 42% | 0.422 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -82.7 | -5.8 | -175.5 | -74.4 | -3.1 | 0 | 0 | 0 | 114.7 | Q10 I221 | N8-Q10 VanDerWaalsContact C-N 3.3Å; N8-Q10 PolarHBondContact O-N 3.15Å; N8-I221 HydrophobicContact CB-CG2 4.12Å |
| 9 | S | 51.8 | Low | 67.7 | Low | 98 Ų | 98 | 85.7 Ų | 85.7 | 69% | 0.685 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -80.5 | -7 | 177.4 | -175.6 | 0 | 0 | 0 | 0 | 113.6 | E7 | E7-S9 PolarHBondContact O-N 3.18Š|
| 10 | Q | 65.9 | Low | 69.2 | Low | 151 Ų | 151 | 81.5 Ų | 81.5 | 71% | 0.706 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -92.1 | -4.3 | -175.7 | -79.6 | -177.3 | -21.2 | 0 | 0 | 114.5 | N8 | N8-Q10 VanDerWaalsContact C-N 3.3Å; N8-Q10 PolarHBondContact O-N 3.15Å |
| 11 | V | 92.4 | Very high | 70.7 | Confident | 26 Ų | 26 | 82.9 Ų | 82.9 | 16% | 0.158 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -89.7 | -26.1 | -175.2 | -56.6 | 0 | 0 | 0 | 0 | 113.7 | N93 T94 I221 L232 | V11-N93 PolarHBondContact O-N 3Å; V11-N93 VanDerWaalsContact O-N 3.07Å; V11-N93 PolarHBondContact O-OD1 2.91Å; V11-T94 PolarHBondContact O-N 3.24Å; V11-I221 HydrophobicContact CG2-CG2 3.89Å; V11-L232 HydrophobicContact CG2-CD2 4.31Å |
| 12 | I | 97.6 | Very high | 73.7 | Confident | 31 Ų | 31 | 76.6 Ų | 76.6 | 16% | 0.159 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 117.9 | 176.6 | -54.9 | 178 | 0 | 0 | 0 | 109 | T94 Q96 | I12-T94 CarbonylContact C-O 3.56Å; I12-T94 WeakPolarHBondContact CA-O 3.41Å; I12-T94 HydrophobicContact CB-CG2 4.47Å; I12-T94 HydrophobicContact CG1-CG2 4.03Å; I12-T94 HydrophobicContact CG2-CG2 4.13Å; I12-Q96 HydrophobicContact CG2-CB 4.05Å |
| 13 | C | 98.2 | Very high | 76.7 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 12% | 0.122 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.1 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | V15 I92 T94 W95 Q96 | C13-V15 PolarHBondContact O-N 2.82Å; C13-I92 HydrophobicContact CB-CD1 3.96Å; C13-I92 HydrophobicContact CB-CG1 4.3Å; C13-I92 HydrophobicContact CB-CG2 3.59Å; C13-T94 PolarHBondContact N-O 2.69Å; C13-W95 HydrophobicContact CB-CG 4.47Å; C13-Q96 PolarHBondContact O-N 3.12Å |
| 14 | E | 98.4 | Very high | 79.9 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.3 | 170.4 | -64.4 | -59.9 | 132.9 | 0 | 0 | 110.4 | N19 Q96 N98 | E14-N19 PolarHBondContact O-ND2 3.21Å; E14-Q96 VanDerWaalsContact CD-NE2 3.35Å; E14-Q96 PolarHBondContact OE1-NE2 3.39Å; E14-Q96 PolarHBondContact OE2-NE2 2.84Å; E14-N98 PolarHBondContact OE2-ND2 2.75Å |
| 15 | V | 98.8 | Very high | 83 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.1 | 177.4 | -162 | 0 | 0 | 0 | 0 | 109.3 | C13 N19 L20 E23 W95 Q96 F97 N98 I131 | C13-V15 PolarHBondContact O-N 2.82Å; V15-N19 WeakPolarHBondContact CA-OD1 3.32Å; V15-L20 HydrophobicContact CG1-CB 4.24Å; V15-L20 HydrophobicContact CG1-CD1 4.08Å; V15-E23 HydrophobicContact CG1-CB 4.21Å; V15-E23 HydrophobicContact CG1-CG 4.33Å; V15-E23 HydrophobicContact CG2-CB 4.18Å; V15-E23 HydrophobicContact CG2-CG 4.15Å; V15-W95 HydrophobicContact CG2-CB 4.1Å; V15-W95 HydrophobicContact CG2-CG 4.27Å; V15-Q96 PolarHBondContact N-O 3.05Å; V15-F97 HydrophobicContact CB-CD1 3.69Å; V15-F97 HydrophobicContact CB-CE1 4.07Å; V15-F97 HydrophobicContact CB-CG 4.35Å; V15-F97 HydrophobicContact CG1-CD1 3.78Å; V15-F97 HydrophobicContact CG1-CE1 3.92Å; V15-F97 HydrophobicContact CG2-CD1 3.98Å; V15-F97 HydrophobicContact CG2-CE1 3.95Å; V15-F97 HydrophobicContact CG2-CZ 4.48Å; V15-N98 WeakPolarHBondContact O-CB 3.32Å; V15-N98 PolarHBondContact O-N 3.29Å; V15-N98 PolarHBondContact O-ND2 3Å; V15-N98 VanDerWaalsContact O-ND2 3.14Å; V15-I131 HydrophobicContact CB-CD1 4.21Å; V15-I131 HydrophobicContact CG1-CD1 4.01Å; V15-I131 WeakPolarHBondContact O-CD1 3.46Å |
| 16 | W | 98.9 | Very high | 86.1 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 6% | 0.057 | 34% | 0.34 | C | S | . | . | trans | -126.4 | 177.9 | 177.4 | -60.7 | 89.3 | 0 | 0 | 0 | 108.5 | N18 N19 L20 N98 K125 E129 I131 | W16-N18 PolarHBondContact O-N 3.15Å; W16-N18 VanDerWaalsContact O-N 3.15Å; W16-N19 PolarHBondContact N-OD1 3.42Å; W16-N19 PolarHBondContact O-N 2.9Å; W16-N19 PolarHBondContact O-OD1 2.99Å; W16-L20 PolarHBondContact O-N 3.18Å; W16-L20 VanDerWaalsContact O-N 3.09Å; W16-N98 HydrophobicContact CD2-CB 3.81Å; W16-N98 HydrophobicContact CE3-CB 3.53Å; W16-N98 HydrophobicContact CH2-CB 3.44Å; W16-N98 VanDerWaalsContact CH2-CB 3.44Å; W16-N98 HydrophobicContact CZ2-CB 3.72Å; W16-N98 WeakPolarHBondContact CZ2-ND2 2.96Å; W16-N98 HydrophobicContact CZ3-CB 3.35Å; W16-K125 HydrophobicContact CD2-CD 4.28Å; W16-K125 VanDerWaalsContact CE2-NZ 3.25Å; W16-K125 HydrophobicContact CE3-CD 4.31Å; W16-K125 HydrophobicContact CE3-CG 4.09Å; W16-K125 HydrophobicContact CH2-CB 4.07Å; W16-K125 HydrophobicContact CH2-CD 3.71Å; W16-K125 HydrophobicContact CH2-CG 3.82Å; W16-K125 HydrophobicContact CZ2-CD 3.65Å; W16-K125 HydrophobicContact CZ2-CG 4.26Å; W16-K125 HydrophobicContact CZ3-CB 4.13Å; W16-K125 HydrophobicContact CZ3-CD 4.04Å; W16-K125 HydrophobicContact CZ3-CG 3.72Å; W16-K125 VanDerWaalsContact NE1-NZ 3.17Å; W16-E129 HydrophobicContact CE3-CB 4.09Å; W16-I131 VanDerWaalsContact C-CG1 3.46Å | ||
| 17 | A | 98.8 | Very high | 89.2 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 45% | 0.446 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -32.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E129 | A17-E129 WeakPolarHBondContact CB-O 3.41Å; A17-E129 PolarHBondContact N-O 3.33Å |
| 18 | N | 98.6 | Very high | 92 | Very high | 130 Ų | 130 | 57.3 Ų | 57.3 | 70% | 0.695 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -23.8 | -174.9 | 64.7 | -6.3 | 0 | 0 | 0 | 114.9 | W16 | W16-N18 PolarHBondContact O-N 3.15Å; W16-N18 VanDerWaalsContact O-N 3.15Å |
| 19 | N | 98.8 | Very high | 94.5 | Very high | 32 Ų | 32 | 59.7 Ų | 59.7 | 17% | 0.171 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | 0.8 | -178.6 | 70.5 | -23.8 | 0 | 0 | 0 | 113.7 | E14 V15 W16 E21 E22 E23 | E14-N19 PolarHBondContact O-ND2 3.21Å; V15-N19 WeakPolarHBondContact CA-OD1 3.32Å; W16-N19 PolarHBondContact N-OD1 3.42Å; W16-N19 PolarHBondContact O-N 2.9Å; W16-N19 PolarHBondContact O-OD1 2.99Å; N19-E21 PolarHBondContact O-N 3.43Å; N19-E22 PolarHBondContact O-N 2.95Å; N19-E22 VanDerWaalsContact O-N 3.12Å; N19-E23 PolarHBondContact O-N 3.11Å |
| 20 | L | 98.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -49 | -52 | -178.9 | 174.6 | 62.3 | 0 | 0 | 0 | 113.4 | V15 W16 E22 E23 M24 F97 I131 F136 L139 | V15-L20 HydrophobicContact CG1-CB 4.24Å; V15-L20 HydrophobicContact CG1-CD1 4.08Å; W16-L20 PolarHBondContact O-N 3.18Å; W16-L20 VanDerWaalsContact O-N 3.09Å; L20-E22 VanDerWaalsContact C-N 3.32Å; L20-E22 PolarHBondContact O-N 3.05Å; L20-E23 PolarHBondContact O-N 3.11Å; L20-M24 HydrophobicContact CD1-CG 3.76Å; L20-M24 HydrophobicContact CG-CG 4.37Å; L20-M24 WeakPolarHBondContact O-CB 3.44Å; L20-M24 VanDerWaalsContact O-CG 3.27Å; L20-M24 WeakPolarHBondContact O-CG 3.27Å; L20-M24 PolarHBondContact O-N 2.87Å; L20-F97 HydrophobicContact CD1-CD1 4.08Å; L20-F97 HydrophobicContact CD1-CE1 4Å; L20-I131 HydrophobicContact CD1-CD1 4.21Å; L20-I131 HydrophobicContact CD2-CG2 3.7Å; L20-F136 HydrophobicContact CD1-CD2 3.9Å; L20-L139 HydrophobicContact CD1-CD1 4.32Å; L20-L139 HydrophobicContact CD2-CD1 3.78Å; L20-L139 HydrophobicContact CG-CD1 3.66Å |
| 21 | E | 98.8 | Very high | 98.2 | Very high | 110 Ų | 110 | 49.7 Ų | 49.7 | 51% | 0.514 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.8 | -35.9 | -177.5 | -74.5 | -169.9 | -136.3 | 0 | 0 | 113.3 | N19 R25 H135 L139 | N19-E21 PolarHBondContact O-N 3.43Å; E21-R25 PolarHBondContact O-N 3.42Å; E21-R25 VanDerWaalsContact O-N 3.15Å; E21-H135 IonicContact OE1-CE1 2.83Å; E21-L139 HydrophobicContact CG-CD1 4.19Å |
| 22 | E | 98.6 | Very high | 98.4 | Very high | 98 Ų | 98 | 55.2 Ų | 55.2 | 46% | 0.458 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.1 | -49 | 177.6 | -174.7 | -173.2 | 152.6 | 0 | 0 | 110.4 | N19 L20 R25 K26 | N19-E22 PolarHBondContact O-N 2.95Å; N19-E22 VanDerWaalsContact O-N 3.12Å; L20-E22 VanDerWaalsContact C-N 3.32Å; L20-E22 PolarHBondContact O-N 3.05Å; E22-R25 VanDerWaalsContact O-CB 3.32Å; E22-R25 WeakPolarHBondContact O-CB 3.36Å; E22-R25 PolarHBondContact O-N 3.44Å; E22-K26 PolarHBondContact O-N 3.26Å; E22-K26 IonicContact OE1-NZ 2.69Å; E22-K26 PolarHBondContact OE1-NZ 3.49Å |
| 23 | E | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.2 | -38.1 | -178.5 | -63.9 | -48.7 | 128.2 | 0 | 0 | 111.8 | V15 N19 L20 R25 K26 I27 W95 | V15-E23 HydrophobicContact CG1-CB 4.21Å; V15-E23 HydrophobicContact CG1-CG 4.33Å; V15-E23 HydrophobicContact CG2-CB 4.18Å; V15-E23 HydrophobicContact CG2-CG 4.15Å; N19-E23 PolarHBondContact O-N 3.11Å; L20-E23 PolarHBondContact O-N 3.11Å; E23-R25 PolarHBondContact O-N 3.37Å; E23-K26 WeakPolarHBondContact O-CB 3.4Å; E23-K26 PolarHBondContact O-N 3.47Å; E23-K26 IonicContact OE1-NZ 3.95Å; E23-K26 PolarHBondContact OE1-NZ 2.82Å; E23-K26 WeakPolarHBondContact OE2-CD 3.48Å; E23-K26 IonicContact OE2-NZ 2.82Å; E23-I27 WeakPolarHBondContact O-CG1 3.36Å; E23-I27 PolarHBondContact O-N 2.79Å; E23-W95 PolarHBondContact OE2-NE1 2.84Å |
| 24 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -28.7 | 173.1 | -73.3 | -57.7 | -65.2 | 0 | 0 | 112.6 | L20 I27 R28 F97 F136 L139 L140 | L20-M24 HydrophobicContact CD1-CG 3.76Å; L20-M24 HydrophobicContact CG-CG 4.37Å; L20-M24 WeakPolarHBondContact O-CB 3.44Å; L20-M24 VanDerWaalsContact O-CG 3.27Å; L20-M24 WeakPolarHBondContact O-CG 3.27Å; L20-M24 PolarHBondContact O-N 2.87Å; M24-I27 HydrophobicContact SD-CD1 3.96Å; M24-R28 WeakPolarHBondContact O-CG 3.49Å; M24-R28 PolarHBondContact O-N 2.89Å; M24-R28 VanDerWaalsContact O-N 3.11Å; M24-R28 PolarHBondContact O-NE 3.01Å; M24-F97 HydrophobicContact SD-CE1 4.02Å; M24-F97 HydrophobicContact SD-CZ 4.06Å; M24-F136 HydrophobicContact SD-CE2 4.35Å; M24-L139 HydrophobicContact CB-CB 4.45Å; M24-L139 HydrophobicContact CB-CD1 4.36Å; M24-L139 HydrophobicContact CE-CB 4.02Å; M24-L139 HydrophobicContact CG-CB 4.07Å; M24-L139 HydrophobicContact CG-CD1 4Å; M24-L140 HydrophobicContact CE-CB 4.39Å; M24-L140 HydrophobicContact CE-CD1 4.2Å |
| 25 | R | 98.6 | Very high | 98.4 | Very high | 133 Ų | 133 | 57.4 Ų | 57.4 | 50% | 0.502 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 171.4 | -167.9 | -176.1 | -60.2 | 116.4 | 4.7 | 111.7 | E21 E22 E23 R28 | E21-R25 PolarHBondContact O-N 3.42Å; E21-R25 VanDerWaalsContact O-N 3.15Å; E22-R25 VanDerWaalsContact O-CB 3.32Å; E22-R25 WeakPolarHBondContact O-CB 3.36Å; E22-R25 PolarHBondContact O-N 3.44Å; E23-R25 PolarHBondContact O-N 3.37Å; R25-R28 PolarHBondContact O-N 3.09Å |
| 26 | K | 98.4 | Very high | 98.4 | Very high | 69 Ų | 69 | 58.1 Ų | 58.1 | 30% | 0.3 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 177.7 | -62.7 | 170.2 | -169.9 | 160.7 | 0 | 111.1 | E22 E23 R28 E29 I30 W95 | E22-K26 PolarHBondContact O-N 3.26Å; E22-K26 IonicContact OE1-NZ 2.69Å; E22-K26 PolarHBondContact OE1-NZ 3.49Å; E23-K26 WeakPolarHBondContact O-CB 3.4Å; E23-K26 PolarHBondContact O-N 3.47Å; E23-K26 IonicContact OE1-NZ 3.95Å; E23-K26 PolarHBondContact OE1-NZ 2.82Å; E23-K26 WeakPolarHBondContact OE2-CD 3.48Å; E23-K26 IonicContact OE2-NZ 2.82Å; K26-R28 VanDerWaalsContact C-N 3.34Å; K26-R28 PolarHBondContact O-N 2.85Å; K26-E29 PolarHBondContact O-N 3.14Å; K26-E29 VanDerWaalsContact O-N 3.11Å; K26-I30 WeakPolarHBondContact O-CG1 3.48Å; K26-I30 PolarHBondContact O-N 2.81Å; K26-W95 HydrophobicContact CB-CZ2 4.49Å |
| 27 | I | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 177.1 | -72.3 | 169.5 | 0 | 0 | 0 | 111.8 | E23 M24 E29 I30 V31 F81 W95 F97 V145 | E23-I27 WeakPolarHBondContact O-CG1 3.36Å; E23-I27 PolarHBondContact O-N 2.79Å; M24-I27 HydrophobicContact SD-CD1 3.96Å; I27-E29 PolarHBondContact O-N 2.94Å; I27-I30 PolarHBondContact O-N 3.02Å; I27-V31 WeakPolarHBondContact O-CG1 3.43Å; I27-V31 PolarHBondContact O-N 3.4Å; I27-F81 HydrophobicContact CB-CZ 4.48Å; I27-F81 HydrophobicContact CD1-CE2 4.46Å; I27-F81 HydrophobicContact CG1-CE2 4.21Å; I27-F81 HydrophobicContact CG1-CZ 4.24Å; I27-F81 HydrophobicContact CG2-CE1 4.07Å; I27-F81 HydrophobicContact CG2-CE2 4.4Å; I27-F81 HydrophobicContact CG2-CZ 3.59Å; I27-W95 HydrophobicContact CD1-CB 4.27Å; I27-W95 HydrophobicContact CD1-CD2 3.86Å; I27-W95 HydrophobicContact CD1-CE3 4.39Å; I27-W95 HydrophobicContact CD1-CG 3.77Å; I27-W95 HydrophobicContact CG1-CD2 3.83Å; I27-W95 HydrophobicContact CG1-CE3 4.14Å; I27-W95 HydrophobicContact CG1-CG 4.27Å; I27-W95 HydrophobicContact CG1-CZ2 4.26Å; I27-F97 HydrophobicContact CD1-CE1 4.43Å; I27-F97 HydrophobicContact CD1-CE2 4.36Å; I27-F97 HydrophobicContact CD1-CZ 3.54Å; I27-V145 HydrophobicContact CG2-CG2 3.64Å |
| 28 | R | 98.6 | Very high | 98.4 | Very high | 76 Ų | 76 | 54.8 Ų | 54.8 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.8 | -31.2 | 175.6 | -80.7 | -176.1 | -70.8 | -117.2 | -3.1 | 113.5 | M24 R25 K26 | M24-R28 WeakPolarHBondContact O-CG 3.49Å; M24-R28 PolarHBondContact O-N 2.89Å; M24-R28 VanDerWaalsContact O-N 3.11Å; M24-R28 PolarHBondContact O-NE 3.01Å; R25-R28 PolarHBondContact O-N 3.09Å; K26-R28 VanDerWaalsContact C-N 3.34Å; K26-R28 PolarHBondContact O-N 2.85Å |
| 29 | E | 97.9 | Very high | 98.4 | Very high | 130 Ų | 130 | 48.6 Ų | 48.6 | 61% | 0.607 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -82.3 | -42.6 | 176.5 | -65.1 | 175.1 | -171.8 | 0 | 0 | 111.4 | K26 I27 L32 | K26-E29 PolarHBondContact O-N 3.14Å; K26-E29 VanDerWaalsContact O-N 3.11Å; I27-E29 PolarHBondContact O-N 2.94Å; E29-L32 WeakPolarHBondContact O-CB 3.41Å; E29-L32 PolarHBondContact O-N 3.5Å |
| 30 | I | 97.4 | Very high | 98.4 | Very high | 32 Ų | 32 | 48 Ų | 48 | 16% | 0.164 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.7 | -41.8 | -175.3 | -74.9 | 174.9 | 0 | 0 | 0 | 112.2 | K26 I27 L32 S33 Y34 F81 P89 W95 | K26-I30 WeakPolarHBondContact O-CG1 3.48Å; K26-I30 PolarHBondContact O-N 2.81Å; I27-I30 PolarHBondContact O-N 3.02Å; I30-L32 PolarHBondContact O-N 3.38Å; I30-S33 PolarHBondContact O-N 3.1Å; I30-Y34 HydrophobicContact CG2-CD2 4.04Å; I30-Y34 HydrophobicContact CG2-CG 4.29Å; I30-Y34 PolarHBondContact O-N 3.43Å; I30-F81 HydrophobicContact CG2-CB 3.74Å; I30-F81 HydrophobicContact CG2-CD1 3.99Å; I30-F81 HydrophobicContact CG2-CG 3.89Å; I30-P89 HydrophobicContact CD1-CB 4.46Å; I30-P89 HydrophobicContact CD1-CG 4.5Å; I30-P89 HydrophobicContact CG2-CG 4.29Å; I30-W95 HydrophobicContact CD1-CH2 3.3Å; I30-W95 HydrophobicContact CD1-CZ2 3.92Å; I30-W95 HydrophobicContact CD1-CZ3 4.23Å |
| 31 | V | 98.1 | Very high | 98.4 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23 | -176.7 | 70.7 | 0 | 0 | 0 | 0 | 113.1 | I27 S33 I37 F81 V145 V151 | I27-V31 WeakPolarHBondContact O-CG1 3.43Å; I27-V31 PolarHBondContact O-N 3.4Å; V31-S33 VanDerWaalsContact C-N 3.29Å; V31-S33 PolarHBondContact O-N 2.8Å; V31-I37 HydrophobicContact CG2-CD1 4.1Å; V31-F81 HydrophobicContact CB-CE1 4.22Å; V31-F81 HydrophobicContact CG2-CE1 4.38Å; V31-V145 HydrophobicContact CB-CG2 4.19Å; V31-V145 HydrophobicContact CG1-CG2 4.46Å; V31-V145 HydrophobicContact CG2-CG2 4Å; V31-V151 HydrophobicContact CG2-CG2 3.89Å |
| 32 | L | 97.3 | Very high | 98.4 | Very high | 142 Ų | 142 | 44.2 Ų | 44.2 | 74% | 0.743 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -28.9 | 177.3 | -58.5 | 177 | 0 | 0 | 0 | 113.2 | E29 I30 | E29-L32 WeakPolarHBondContact O-CB 3.41Å; E29-L32 PolarHBondContact O-N 3.5Å; I30-L32 PolarHBondContact O-N 3.38Å |
| 33 | S | 97.9 | Very high | 98.4 | Very high | 86 Ų | 86 | 41.3 Ų | 41.3 | 60% | 0.601 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -22.2 | -179 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | I30 V31 | I30-S33 PolarHBondContact O-N 3.1Å; V31-S33 VanDerWaalsContact C-N 3.29Å; V31-S33 PolarHBondContact O-N 2.8Å |
| 34 | Y | 98.5 | Very high | 98.4 | Very high | 55 Ų | 55 | 41 Ų | 41 | 22% | 0.216 | 20% | 0.197 | C | C | . | . | trans | -122.8 | 72.7 | -177.1 | -62.1 | -89.7 | 0 | 0 | 0 | 109 | I30 T82 N83 E87 P89 | I30-Y34 HydrophobicContact CG2-CD2 4.04Å; I30-Y34 HydrophobicContact CG2-CG 4.29Å; I30-Y34 PolarHBondContact O-N 3.43Å; Y34-T82 CarbonylContact C-O 3.53Å; Y34-T82 WeakPolarHBondContact CA-O 3.32Å; Y34-N83 HydrophobicContact CD1-CB 3.96Å; Y34-N83 HydrophobicContact CE1-CB 4.3Å; Y34-E87 WeakPolarHBondContact CD1-O 3.46Å; Y34-E87 WeakPolarHBondContact CE1-O 3.41Å; Y34-P89 HydrophobicContact CD1-CB 4.44Å; Y34-P89 HydrophobicContact CD2-CB 4Å; Y34-P89 HydrophobicContact CE1-CB 4.21Å; Y34-P89 HydrophobicContact CE2-CB 3.72Å; Y34-P89 HydrophobicContact CG-CB 4.36Å; Y34-P89 HydrophobicContact CG-CG 4.46Å; Y34-P89 VanDerWaalsContact CZ-CA 3.43Å; Y34-P89 WeakPolarHBondContact OH-CA 3.42Å | ||
| 35 | S | 98.1 | Very high | 98.2 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | trans | -89.2 | 2 | -171.4 | 69.8 | 0 | 0 | 0 | 0 | 115 | T82 S150 V151 K152 | S35-T82 PolarHBondContact N-O 3.4Å; S35-S150 VanDerWaalsContact CB-O 3.26Å; S35-S150 WeakPolarHBondContact CB-O 3.26Å; S35-S150 PolarHBondContact OG-O 3.07Å; S35-S150 VanDerWaalsContact OG-O 3.06Å; S35-V151 CarbonylContact O-C 3.56Å; S35-V151 WeakPolarHBondContact O-CA 3.2Å; S35-K152 PolarHBondContact O-N 3.04Å | ||
| 36 | Y | 98.8 | Very high | 97.9 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 6% | 0.059 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 109.5 | 170.7 | -81.5 | -114.5 | 0 | 0 | 0 | 108.8 | T82 E84 K152 L154 F238 F239 | Y36-T82 WeakPolarHBondContact CB-O 3.33Å; Y36-T82 WeakPolarHBondContact CB-OG1 3.47Å; Y36-T82 PolarHBondContact N-O 3.05Å; Y36-T82 PolarHBondContact O-N 2.78Å; Y36-T82 PolarHBondContact O-OG1 3.11Å; Y36-E84 HydrophobicContact CD2-CB 4.45Å; Y36-E84 HydrophobicContact CE2-CB 3.85Å; Y36-E84 HydrophobicContact CE2-CG 4.15Å; Y36-K152 CarbonylContact C-O 3.48Å; Y36-K152 WeakPolarHBondContact CA-O 3.29Å; Y36-K152 HydrophobicContact CD1-CB 3.99Å; Y36-K152 HydrophobicContact CD2-CB 4.28Å; Y36-K152 HydrophobicContact CD2-CG 4.35Å; Y36-K152 HydrophobicContact CE1-CB 3.98Å; Y36-K152 HydrophobicContact CE1-CD 3.95Å; Y36-K152 HydrophobicContact CE1-CG 4.23Å; Y36-K152 HydrophobicContact CE2-CB 4.27Å; Y36-K152 HydrophobicContact CE2-CD 4.08Å; Y36-K152 HydrophobicContact CE2-CG 3.94Å; Y36-K152 HydrophobicContact CG-CB 4.14Å; Y36-K152 WeakPolarHBondContact OH-CD 3.42Å; Y36-K152 VanDerWaalsContact OH-CE 3.31Å; Y36-K152 WeakPolarHBondContact OH-CE 3.32Å; Y36-L154 HydrophobicContact CD1-CD1 4.24Å; Y36-L154 HydrophobicContact CD1-CD2 4.06Å; Y36-L154 HydrophobicContact CD1-CG 4.47Å; Y36-F238 HydrophobicContact CD1-CE1 4.33Å; Y36-F238 HydrophobicContact CE1-CE1 4.21Å; Y36-F239 HydrophobicContact CD1-CE1 4.4Å; Y36-F239 AromaticContact CD1-CZ 3.74Å; Y36-F239 HydrophobicContact CD1-CZ 3.74Å; Y36-F239 HydrophobicContact CE1-CZ 4.4Å; Y36-F239 HydrophobicContact CG-CZ 4.06Å |
| 37 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 108.3 | -171.8 | -53.5 | -179.8 | 0 | 0 | 0 | 108.8 | V31 L79 T80 F81 V145 V151 K152 W153 L154 | V31-I37 HydrophobicContact CG2-CD1 4.1Å; I37-L79 HydrophobicContact CG2-CB 4.3Å; I37-L79 HydrophobicContact CG2-CD2 3.98Å; I37-T80 CarbonylContact C-O 3Å; I37-T80 WeakPolarHBondContact CA-O 3.44Å; I37-F81 HydrophobicContact CD1-CD1 4.13Å; I37-F81 HydrophobicContact CD1-CE1 3.57Å; I37-F81 HydrophobicContact CD1-CZ 4.28Å; I37-F81 HydrophobicContact CG1-CD1 3.87Å; I37-F81 HydrophobicContact CG1-CE1 3.81Å; I37-F81 HydrophobicContact CG2-CE1 4.47Å; I37-F81 HydrophobicContact CG2-CZ 4.46Å; I37-V145 HydrophobicContact CD1-CB 4.29Å; I37-V145 HydrophobicContact CD1-CG1 3.62Å; I37-V145 HydrophobicContact CD1-CG2 4.3Å; I37-V151 HydrophobicContact CD1-CG1 3.5Å; I37-V151 HydrophobicContact CG1-CG1 3.93Å; I37-K152 PolarHBondContact N-O 3.36Å; I37-W153 HydrophobicContact CD1-CZ2 4.45Å; I37-W153 HydrophobicContact CG2-CE3 4.32Å; I37-W153 HydrophobicContact CG2-CH2 4.33Å; I37-W153 HydrophobicContact CG2-CZ3 4.11Å; I37-W153 CarbonylContact O-C 3.56Å; I37-W153 WeakPolarHBondContact O-CA 3.16Å; I37-L154 PolarHBondContact O-N 3.47Å |
| 38 | A | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 138.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L79 T80 L154 S231 T234 | A38-L79 WeakPolarHBondContact O-CA 3.49Å; A38-T80 PolarHBondContact N-O 3.06Å; A38-T80 PolarHBondContact O-N 3.38Å; A38-L154 CarbonylContact C-O 3.59Å; A38-L154 VanDerWaalsContact CA-O 3.25Å; A38-L154 WeakPolarHBondContact CA-O 3.36Å; A38-L154 HydrophobicContact CB-CB 4.03Å; A38-L154 HydrophobicContact CB-CD1 4.37Å; A38-S231 WeakPolarHBondContact CB-O 3.39Å; A38-T234 HydrophobicContact CB-CG2 4.45Å |
| 39 | M | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144.8 | -171.9 | -175.6 | -88.3 | -66.8 | 0 | 0 | 112.2 | T41 L77 G78 L79 W153 L154 D161 F162 M165 | M39-T41 HydrophobicContact SD-CG2 3.79Å; M39-L77 HydrophobicContact CG-CD1 3.46Å; M39-L77 VanDerWaalsContact CG-CD1 3.46Å; M39-L77 HydrophobicContact SD-CD1 3.84Å; M39-G78 VanDerWaalsContact CA-O 3.3Å; M39-G78 WeakPolarHBondContact CA-O 3.49Å; M39-L79 HydrophobicContact CB-CD2 3.92Å; M39-L79 HydrophobicContact CG-CD2 3.63Å; M39-W153 HydrophobicContact CB-CE3 3.92Å; M39-W153 HydrophobicContact CB-CZ3 3.84Å; M39-W153 HydrophobicContact CG-CE3 4.42Å; M39-W153 HydrophobicContact CG-CZ3 3.95Å; M39-L154 PolarHBondContact N-O 3.26Å; M39-D161 HydrophobicContact CE-CB 3.67Å; M39-D161 HydrophobicContact SD-CB 3.7Å; M39-F162 HydrophobicContact CE-CD1 4Å; M39-F162 HydrophobicContact CE-CD2 4.37Å; M39-F162 HydrophobicContact CE-CE1 3.76Å; M39-F162 HydrophobicContact CE-CE2 4.14Å; M39-F162 HydrophobicContact CE-CG 4.29Å; M39-F162 HydrophobicContact CE-CZ 3.83Å; M39-M165 HydrophobicContact CE-CG 4.21Å |
| 40 | D | 98.9 | Very high | 96.8 | Very high | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.107 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 156.9 | 170.5 | -167.4 | 65.9 | 0 | 0 | 0 | 109.4 | G78 D230 | D40-G78 PolarHBondContact N-O 2.87Å; D40-G78 PolarHBondContact O-N 3.35Å; D40-D230 HydrophobicContact CB-CB 4.02Å; D40-D230 WeakPolarHBondContact OD2-CB 3.21Å |
| 41 | T | 98.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150.5 | 177.1 | 71.2 | 0 | 0 | 0 | 0 | 112.6 | M39 I74 Q76 L77 D161 | M39-T41 HydrophobicContact SD-CG2 3.79Å; T41-I74 HydrophobicContact CG2-CD1 3.86Å; T41-Q76 WeakPolarHBondContact CA-O 3.37Å; T41-Q76 WeakPolarHBondContact CB-O 3.2Å; T41-L77 HydrophobicContact CG2-CD1 3.76Å; T41-D161 HydrophobicContact CG2-CB 3.99Å; T41-D161 PolarHBondContact N-OD1 3.36Å; T41-D161 PolarHBondContact OG1-OD1 2.84Å |
| 42 | E | 98.8 | Very high | 95.8 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.8 | 168.2 | -61.3 | -65.9 | 177.5 | 0 | 0 | 110 | I75 Q76 L116 H225 Q226 A227 | E42-I75 WeakPolarHBondContact O-CA 3.39Å; E42-I75 WeakPolarHBondContact O-CB 3.37Å; E42-I75 PolarHBondContact O-N 3.25Å; E42-Q76 HydrophobicContact CB-CB 4.08Å; E42-Q76 HydrophobicContact CG-CB 4.42Å; E42-Q76 PolarHBondContact N-O 3.31Å; E42-Q76 PolarHBondContact O-N 2.97Å; E42-L116 HydrophobicContact CB-CD2 4.02Å; E42-L116 HydrophobicContact CG-CD2 4.07Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.43Å; E42-H225 VanDerWaalsContact OE1-CA 3.29Å; E42-H225 WeakPolarHBondContact OE1-CA 3.46Å; E42-Q226 PolarHBondContact OE1-N 3.24Å; E42-A227 HydrophobicContact CG-CB 4.13Å |
| 43 | F | 98.4 | Very high | 95.2 | Very high | 38 Ų | 38 | 52 Ų | 52 | 17% | 0.167 | 28% | 0.281 | C | S | . | . | trans | -151.8 | 164.6 | -175.3 | 60.5 | -95.4 | 0 | 0 | 0 | 110.3 | G45 Y160 Y164 | F43-G45 PolarHBondContact O-N 3.41Å; F43-Y160 HydrophobicContact CE1-CG 4.45Å; F43-Y160 AromaticContact CE2-CD1 3.87Å; F43-Y160 HydrophobicContact CE2-CD1 3.87Å; F43-Y160 HydrophobicContact CE2-CE1 4.46Å; F43-Y160 HydrophobicContact CE2-CG 4.28Å; F43-Y160 AromaticContact CZ-CD1 3.81Å; F43-Y160 HydrophobicContact CZ-CD1 3.81Å; F43-Y160 AromaticContact CZ-CG 3.75Å; F43-Y160 HydrophobicContact CZ-CG 3.75Å; F43-Y164 HydrophobicContact CB-CD2 4.33Å; F43-Y164 HydrophobicContact CB-CE1 4.45Å; F43-Y164 HydrophobicContact CB-CE2 3.53Å; F43-Y164 AromaticContact CD1-CD2 3.96Å; F43-Y164 HydrophobicContact CD1-CD2 3.96Å; F43-Y164 AromaticContact CD1-CE2 3.51Å; F43-Y164 HydrophobicContact CD1-CE2 3.51Å; F43-Y164 AromaticContact CD2-CE2 3.67Å; F43-Y164 HydrophobicContact CD2-CE2 3.67Å; F43-Y164 HydrophobicContact CE1-CD2 4.47Å; F43-Y164 HydrophobicContact CE1-CE2 4.07Å; F43-Y164 HydrophobicContact CE2-CE2 4.21Å; F43-Y164 HydrophobicContact CG-CD2 4.15Å; F43-Y164 AromaticContact CG-CE2 3.28Å; F43-Y164 HydrophobicContact CG-CE2 3.28Å; F43-Y164 AromaticContact CG-CZ 3.78Å; F43-Y164 HydrophobicContact CZ-CE2 4.39Å | ||
| 44 | P | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -81.5 | 35.3 | -166.7 | 33.1 | -36.4 | 0 | 0 | 0 | 113.9 | L72 K73 I75 F101 Y108 S109 I113 | P44-L72 HydrophobicContact CG-CB 3.98Å; P44-L72 HydrophobicContact CG-CD1 4.22Å; P44-L72 HydrophobicContact CG-CD2 4.11Å; P44-L72 HydrophobicContact CG-CG 4.33Å; P44-K73 WeakPolarHBondContact CD-O 3.29Å; P44-I75 HydrophobicContact CB-CD1 4.1Å; P44-I75 HydrophobicContact CG-CD1 4.43Å; P44-F101 HydrophobicContact CB-CE2 4.47Å; P44-F101 HydrophobicContact CB-CZ 4.01Å; P44-F101 HydrophobicContact CG-CE2 3.99Å; P44-F101 HydrophobicContact CG-CZ 3.98Å; P44-Y108 VanDerWaalsContact CB-CB 3.44Å; P44-S109 WeakPolarHBondContact O-CB 3.43Å; P44-S109 PolarHBondContact O-N 3.45Å; P44-I113 HydrophobicContact CB-CD1 4.2Å | ||
| 45 | G | 94.4 | Very high | 94 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | trans | 75.5 | -142.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F43 L72 S112 | F43-G45 PolarHBondContact O-N 3.41Å; G45-L72 WeakPolarHBondContact O-CD1 3.29Å; G45-S112 WeakPolarHBondContact CA-OG 3.47Å | ||
| 46 | V | 93.9 | Very high | 93.4 | Very high | 62 Ų | 62 | 58.6 Ų | 58.6 | 38% | 0.376 | 30% | 0.298 | S | S | . | . | trans | -130.9 | 122.1 | -175.3 | 175.3 | 0 | 0 | 0 | 0 | 107.7 | L64 N68 Y160 | V46-L64 HydrophobicContact CG1-CD1 4.2Å; V46-N68 WeakPolarHBondContact CA-OD1 3.47Å; V46-N68 WeakPolarHBondContact CG1-OD1 3.33Å; V46-Y160 HydrophobicContact CG2-CE1 4.18Å | ||
| 47 | V | 94.1 | Very high | 92.9 | Very high | 58 Ų | 58 | 62.1 Ų | 62.1 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | trans | -114.2 | -20.6 | -174.8 | -63.2 | 0 | 0 | 0 | 0 | 113.1 | N68 L71 L72 | V47-N68 PolarHBondContact N-OD1 3.19Å; V47-L71 HydrophobicContact CG2-CD2 3.68Å; V47-L72 HydrophobicContact CG1-CD2 4.22Å; V47-L72 HydrophobicContact CG2-CD1 4.19Å; V47-L72 HydrophobicContact CG2-CD2 3.79Å; V47-L72 HydrophobicContact CG2-CG 4.22Å | ||
| 48 | V | 93.5 | Very high | 92.2 | Very high | 55 Ų | 55 | 64.5 Ų | 64.5 | 33% | 0.333 | 34% | 0.337 | S | S | . | . | trans | -128 | 154.9 | -178.9 | -68.9 | 0 | 0 | 0 | 0 | 112.3 | L64 C67 N68 L71 | V48-L64 WeakPolarHBondContact O-CD1 3.34Å; V48-C67 HydrophobicContact CG2-CB 4.24Å; V48-N68 WeakPolarHBondContact CG2-OD1 3.48Å; V48-N68 PolarHBondContact N-OD1 2.89Å; V48-N68 PolarHBondContact O-ND2 2.8Å; V48-L71 HydrophobicContact CG1-CD2 4.01Å; V48-L71 HydrophobicContact CG2-CD2 4.12Å | ||
| 49 | R | 93 | Very high | 91.7 | Very high | 175 Ų | 175 | 65.6 Ų | 65.6 | 66% | 0.66 | 34% | 0.343 | S | S | * | . | trans | -121.2 | 134.6 | 168.6 | -66.7 | -178.3 | -178.6 | -88.9 | -3.1 | 108.9 | L64 | R49-L64 HydrophobicContact CB-CD1 4.45Å; R49-L64 HydrophobicContact CG-CD1 4.14Å | ||
| 50 | P | 89.7 | Confident | 91.4 | Very high | 27 Ų | 27 | 68.3 Ų | 68.3 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | trans | -68.4 | 137.8 | 177.9 | 31.4 | -35 | 0 | 0 | 0 | 109.4 | F54 Y60 Q63 L64 | P50-F54 HydrophobicContact CB-CE1 4.03Å; P50-F54 HydrophobicContact CB-CZ 3.74Å; P50-F54 HydrophobicContact CG-CE1 3.98Å; P50-F54 HydrophobicContact CG-CZ 3.72Å; P50-Y60 HydrophobicContact CG-CD2 4.22Å; P50-Y60 HydrophobicContact CG-CE2 3.88Å; P50-Q63 HydrophobicContact CB-CB 4.29Å; P50-Q63 HydrophobicContact CG-CB 4.05Å; P50-L64 HydrophobicContact CG-CB 4.36Å | ||
| 51 | I | 87.4 | Confident | 91.2 | Very high | 177 Ų | 177 | 71.2 Ų | 71.2 | 91% | 0.908 | 37% | 0.367 | S | S | * | . | trans | -104.8 | 127.9 | 177.9 | -59.1 | 174.8 | 0 | 0 | 0 | 107.8 | ||||
| 52 | G | 86.4 | Confident | 91.1 | Very high | 53 Ų | 53 | 71 Ų | 71 | 55% | 0.546 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 155 | -175.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | F54 | G52-F54 WeakPolarHBondContact O-CD2 3.4Å; G52-F54 WeakPolarHBondContact O-CE2 3.49Å |
| 53 | E | 83.8 | Confident | 91 | Very high | 201 Ų | 201 | 71 Ų | 71 | 94% | 0.939 | 37% | 0.365 | S | S | * | . | trans | -90.3 | 136.5 | 167.5 | -65.2 | -172.2 | 169.3 | 0 | 0 | 109.4 | ||||
| 54 | F | 88 | Confident | 90.9 | Very high | 64 Ų | 64 | 70 Ų | 70 | 28% | 0.281 | 36% | 0.361 | S | S | . | . | trans | -118.9 | 143.9 | -177.7 | -57.6 | -85.9 | 0 | 0 | 0 | 109.8 | P50 G52 S56 Y60 Q63 | P50-F54 HydrophobicContact CB-CE1 4.03Å; P50-F54 HydrophobicContact CB-CZ 3.74Å; P50-F54 HydrophobicContact CG-CE1 3.98Å; P50-F54 HydrophobicContact CG-CZ 3.72Å; G52-F54 WeakPolarHBondContact O-CD2 3.4Å; G52-F54 WeakPolarHBondContact O-CE2 3.49Å; F54-S56 PolarHBondContact O-N 3.45Å; F54-Y60 HydrophobicContact CD1-CD2 4.11Å; F54-Y60 AromaticContact CD2-CD2 3.54Å; F54-Y60 HydrophobicContact CD2-CD2 3.54Å; F54-Y60 HydrophobicContact CD2-CE2 4.34Å; F54-Y60 HydrophobicContact CD2-CG 4.37Å; F54-Y60 AromaticContact CE1-CD2 4Å; F54-Y60 HydrophobicContact CE1-CD2 4Å; F54-Y60 AromaticContact CE2-CD2 3.43Å; F54-Y60 HydrophobicContact CE2-CD2 3.43Å; F54-Y60 VanDerWaalsContact CE2-CD2 3.43Å; F54-Y60 AromaticContact CE2-CE2 3.84Å; F54-Y60 HydrophobicContact CE2-CE2 3.84Å; F54-Y60 AromaticContact CG-CD2 3.89Å; F54-Y60 HydrophobicContact CG-CD2 3.89Å; F54-Y60 HydrophobicContact CG-CG 4.43Å; F54-Y60 AromaticContact CZ-CD2 3.68Å; F54-Y60 HydrophobicContact CZ-CD2 3.68Å; F54-Y60 HydrophobicContact CZ-CE2 4.06Å; F54-Q63 HydrophobicContact CD1-CB 4.3Å; F54-Q63 HydrophobicContact CD1-CG 4.09Å; F54-Q63 HydrophobicContact CE1-CB 3.83Å; F54-Q63 HydrophobicContact CE1-CG 3.96Å | ||
| 55 | R | 83.4 | Confident | 90.9 | Very high | 191 Ų | 191 | 70.2 Ų | 70.2 | 72% | 0.721 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -67 | -27.9 | -176.5 | -60.7 | -179.6 | -172.6 | 146.6 | 9.1 | 111.8 | D59 E177 | R55-D59 HydrophobicContact CB-CB 4.39Å; R55-D59 PolarHBondContact N-OD2 2.88Å; R55-E177 IonicContact CZ-OE1 3.5Å; R55-E177 IonicContact CZ-OE2 3.8Å; R55-E177 IonicContact NH1-OE1 2.68Å; R55-E177 PolarHBondContact NH1-OE1 3Å; R55-E177 IonicContact NH1-OE2 3.69Å; R55-E177 PolarHBondContact NH1-OE2 3.03Å; R55-E177 IonicContact NH2-OE1 2.86Å; R55-E177 PolarHBondContact NH2-OE1 3.03Å; R55-E177 IonicContact NH2-OE2 3.31Å |
| 56 | S | 86.9 | Confident | 91.1 | Very high | 54 Ų | 54 | 71.6 Ų | 71.6 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -161 | 172.6 | 178.2 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | F54 I58 D59 Y60 | F54-S56 PolarHBondContact O-N 3.45Å; S56-I58 PolarHBondContact O-N 3.07Å; S56-I58 PolarHBondContact OG-N 3.03Å; S56-D59 PolarHBondContact O-N 3.16Å; S56-D59 PolarHBondContact OG-N 3.48Å; S56-D59 VanDerWaalsContact OG-N 3.11Å; S56-Y60 PolarHBondContact O-N 2.98Å |
| 57 | S | 86.6 | Confident | 91.2 | Very high | 89 Ų | 89 | 70.1 Ų | 70.1 | 62% | 0.622 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.5 | -29.4 | 170.4 | -177.9 | 0 | 0 | 0 | 0 | 112.7 | Q61 | S57-Q61 WeakPolarHBondContact O-CG 3.49Å; S57-Q61 PolarHBondContact O-N 2.9Å; S57-Q61 VanDerWaalsContact O-N 3.09Å |
| 58 | I | 86.1 | Confident | 91.4 | Very high | 49 Ų | 49 | 67.4 Ų | 67.4 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -75.3 | -44.7 | -179 | -65.4 | 145.1 | 0 | 0 | 0 | 109.9 | S56 Y60 Q61 Y62 E178 T264 | S56-I58 PolarHBondContact O-N 3.07Å; S56-I58 PolarHBondContact OG-N 3.03Å; I58-Y60 VanDerWaalsContact C-N 3.26Å; I58-Y60 PolarHBondContact O-N 3.48Å; I58-Q61 WeakPolarHBondContact O-CB 3.46Å; I58-Q61 PolarHBondContact O-N 3.31Å; I58-Y62 PolarHBondContact O-N 3.47Å; I58-E178 WeakPolarHBondContact CG2-OE1 3.45Å; I58-E178 WeakPolarHBondContact CG2-OE2 3.31Å; I58-T264 WeakPolarHBondContact CD1-OG1 3.44Å |
| 59 | D | 88.3 | Confident | 91.6 | Very high | 23 Ų | 23 | 64.8 Ų | 64.8 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.1 | -43.8 | 172.1 | 179.5 | 38.6 | 0 | 0 | 0 | 110.6 | R55 S56 Q61 Y62 Q63 | R55-D59 HydrophobicContact CB-CB 4.39Å; R55-D59 PolarHBondContact N-OD2 2.88Å; S56-D59 PolarHBondContact O-N 3.16Å; S56-D59 PolarHBondContact OG-N 3.48Å; S56-D59 VanDerWaalsContact OG-N 3.11Å; D59-Q61 PolarHBondContact O-N 3.27Å; D59-Y62 PolarHBondContact O-N 3.43Å; D59-Q63 WeakPolarHBondContact O-CG 3.36Å; D59-Q63 PolarHBondContact O-N 2.94Å |
| 60 | Y | 92.8 | Very high | 91.9 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 172.2 | 178.7 | -101.6 | 0 | 0 | 0 | 113.5 | P50 F54 S56 I58 Q63 L64 | P50-Y60 HydrophobicContact CG-CD2 4.22Å; P50-Y60 HydrophobicContact CG-CE2 3.88Å; F54-Y60 HydrophobicContact CD1-CD2 4.11Å; F54-Y60 AromaticContact CD2-CD2 3.54Å; F54-Y60 HydrophobicContact CD2-CD2 3.54Å; F54-Y60 HydrophobicContact CD2-CE2 4.34Å; F54-Y60 HydrophobicContact CD2-CG 4.37Å; F54-Y60 AromaticContact CE1-CD2 4Å; F54-Y60 HydrophobicContact CE1-CD2 4Å; F54-Y60 AromaticContact CE2-CD2 3.43Å; F54-Y60 HydrophobicContact CE2-CD2 3.43Å; F54-Y60 VanDerWaalsContact CE2-CD2 3.43Å; F54-Y60 AromaticContact CE2-CE2 3.84Å; F54-Y60 HydrophobicContact CE2-CE2 3.84Å; F54-Y60 AromaticContact CG-CD2 3.89Å; F54-Y60 HydrophobicContact CG-CD2 3.89Å; F54-Y60 HydrophobicContact CG-CG 4.43Å; F54-Y60 AromaticContact CZ-CD2 3.68Å; F54-Y60 HydrophobicContact CZ-CD2 3.68Å; F54-Y60 HydrophobicContact CZ-CE2 4.06Å; S56-Y60 PolarHBondContact O-N 2.98Å; I58-Y60 VanDerWaalsContact C-N 3.26Å; I58-Y60 PolarHBondContact O-N 3.48Å; Y60-Q63 PolarHBondContact O-N 2.92Å; Y60-L64 HydrophobicContact CE1-CD2 4.32Å; Y60-L64 VanDerWaalsContact O-CB 3.29Å; Y60-L64 WeakPolarHBondContact O-CB 3.38Å; Y60-L64 PolarHBondContact O-N 3.16Å |
| 61 | Q | 94.1 | Very high | 92.2 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 177 | -68.2 | -50.5 | -58.3 | 0 | 0 | 111.3 | S57 I58 D59 L64 L65 L262 | S57-Q61 WeakPolarHBondContact O-CG 3.49Å; S57-Q61 PolarHBondContact O-N 2.9Å; S57-Q61 VanDerWaalsContact O-N 3.09Å; I58-Q61 WeakPolarHBondContact O-CB 3.46Å; I58-Q61 PolarHBondContact O-N 3.31Å; D59-Q61 PolarHBondContact O-N 3.27Å; Q61-L64 PolarHBondContact O-N 3.24Å; Q61-L65 WeakPolarHBondContact O-CB 3.46Å; Q61-L65 PolarHBondContact O-N 3.06Å; Q61-L262 HydrophobicContact CB-CD2 4.1Å |
| 62 | Y | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 176.9 | 179.5 | -106.7 | 0 | 0 | 0 | 111.8 | I58 D59 L64 L65 R66 P175 E178 F181 | I58-Y62 PolarHBondContact O-N 3.47Å; D59-Y62 PolarHBondContact O-N 3.43Å; Y62-L64 VanDerWaalsContact C-N 3.28Å; Y62-L64 PolarHBondContact O-N 2.94Å; Y62-L65 WeakPolarHBondContact O-CB 3.49Å; Y62-L65 PolarHBondContact O-N 3.02Å; Y62-R66 HydrophobicContact CE1-CB 4.46Å; Y62-R66 WeakPolarHBondContact O-CB 3.41Å; Y62-R66 PolarHBondContact O-N 3.37Å; Y62-P175 PolarHBondContact OH-O 2.83Å; Y62-E178 HydrophobicContact CD1-CB 3.74Å; Y62-E178 HydrophobicContact CD1-CG 4.47Å; Y62-E178 HydrophobicContact CD2-CB 4.13Å; Y62-E178 HydrophobicContact CD2-CG 3.98Å; Y62-E178 HydrophobicContact CE1-CB 4.24Å; Y62-E178 HydrophobicContact CG-CB 3.69Å; Y62-E178 HydrophobicContact CG-CG 3.91Å; Y62-F181 HydrophobicContact CD2-CD1 4.45Å; Y62-F181 HydrophobicContact CE2-CB 3.67Å; Y62-F181 AromaticContact CE2-CD1 3.81Å; Y62-F181 HydrophobicContact CE2-CD1 3.81Å; Y62-F181 HydrophobicContact CE2-CD2 4.27Å; Y62-F181 AromaticContact CE2-CG 3.64Å; Y62-F181 HydrophobicContact CE2-CG 3.64Å; Y62-F181 WeakPolarHBondContact OH-CB 3.26Å |
| 63 | Q | 96.4 | Very high | 93.3 | Very high | 26 Ų | 26 | 53.4 Ų | 53.4 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64 | -34.3 | 177.8 | -65.6 | -54.7 | -35.1 | 0 | 0 | 112.5 | P50 F54 D59 Y60 R66 C67 E176 | P50-Q63 HydrophobicContact CB-CB 4.29Å; P50-Q63 HydrophobicContact CG-CB 4.05Å; F54-Q63 HydrophobicContact CD1-CB 4.3Å; F54-Q63 HydrophobicContact CD1-CG 4.09Å; F54-Q63 HydrophobicContact CE1-CB 3.83Å; F54-Q63 HydrophobicContact CE1-CG 3.96Å; D59-Q63 WeakPolarHBondContact O-CG 3.36Å; D59-Q63 PolarHBondContact O-N 2.94Å; Y60-Q63 PolarHBondContact O-N 2.92Å; Q63-R66 VanDerWaalsContact OE1-NH2 3.14Å; Q63-C67 WeakPolarHBondContact O-CB 3.38Å; Q63-C67 PolarHBondContact O-N 3.46Å; Q63-C67 VanDerWaalsContact O-N 3.07Å; Q63-C67 PolarHBondContact O-SG 3.06Å; Q63-E176 PolarHBondContact NE2-O 2.87Å |
| 64 | L | 96.5 | Very high | 94 | Very high | 16 Ų | 16 | 44.3 Ų | 44.3 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -42.2 | 174.4 | 179.5 | 64.9 | 0 | 0 | 0 | 111.7 | V46 V48 R49 P50 Y60 Q61 Y62 C67 N68 Y160 | V46-L64 HydrophobicContact CG1-CD1 4.2Å; V48-L64 WeakPolarHBondContact O-CD1 3.34Å; R49-L64 HydrophobicContact CB-CD1 4.45Å; R49-L64 HydrophobicContact CG-CD1 4.14Å; P50-L64 HydrophobicContact CG-CB 4.36Å; Y60-L64 HydrophobicContact CE1-CD2 4.32Å; Y60-L64 VanDerWaalsContact O-CB 3.29Å; Y60-L64 WeakPolarHBondContact O-CB 3.38Å; Y60-L64 PolarHBondContact O-N 3.16Å; Q61-L64 PolarHBondContact O-N 3.24Å; Y62-L64 VanDerWaalsContact C-N 3.28Å; Y62-L64 PolarHBondContact O-N 2.94Å; L64-C67 PolarHBondContact O-SG 3.37Å; L64-N68 PolarHBondContact O-ND2 3.41Å; L64-Y160 PolarHBondContact O-OH 3.43Å |
| 65 | L | 97.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -55.3 | 172.4 | 178.2 | 167.4 | 0 | 0 | 0 | 110.3 | Q61 Y62 C67 N68 V69 G159 Y160 L174 L262 | Q61-L65 WeakPolarHBondContact O-CB 3.46Å; Q61-L65 PolarHBondContact O-N 3.06Å; Y62-L65 WeakPolarHBondContact O-CB 3.49Å; Y62-L65 PolarHBondContact O-N 3.02Å; L65-C67 PolarHBondContact O-N 2.74Å; L65-N68 PolarHBondContact O-N 3.07Å; L65-N68 VanDerWaalsContact O-N 3.16Å; L65-V69 HydrophobicContact CD2-CB 4.4Å; L65-V69 HydrophobicContact CD2-CG2 3.82Å; L65-V69 HydrophobicContact CG-CG2 4.19Å; L65-V69 WeakPolarHBondContact O-CG2 3.21Å; L65-V69 PolarHBondContact O-N 2.82Å; L65-G159 WeakPolarHBondContact CD1-O 3.26Å; L65-Y160 HydrophobicContact CB-CE1 4.41Å; L65-Y160 HydrophobicContact CB-CE2 4.12Å; L65-Y160 HydrophobicContact CD1-CD2 4.38Å; L65-Y160 HydrophobicContact CG-CD1 4.3Å; L65-Y160 HydrophobicContact CG-CD2 4.25Å; L65-Y160 HydrophobicContact CG-CE1 4.37Å; L65-Y160 HydrophobicContact CG-CE2 4.32Å; L65-Y160 HydrophobicContact CG-CG 4.25Å; L65-L174 HydrophobicContact CD2-CD1 3.59Å; L65-L262 HydrophobicContact CD1-CD1 3.72Å |
| 66 | R | 97.9 | Very high | 95.3 | Very high | 41 Ų | 41 | 32.3 Ų | 32.3 | 16% | 0.155 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -52.5 | -51.9 | -175.5 | -170.1 | -176.8 | 71.3 | 105.5 | -11.4 | 112.1 | Y62 Q63 N68 V69 D70 L174 P175 | Y62-R66 HydrophobicContact CE1-CB 4.46Å; Y62-R66 WeakPolarHBondContact O-CB 3.41Å; Y62-R66 PolarHBondContact O-N 3.37Å; Q63-R66 VanDerWaalsContact OE1-NH2 3.14Å; R66-N68 VanDerWaalsContact C-N 3.29Å; R66-N68 PolarHBondContact O-N 2.9Å; R66-V69 PolarHBondContact O-N 2.88Å; R66-D70 WeakPolarHBondContact O-CB 3.43Å; R66-D70 PolarHBondContact O-N 2.77Å; R66-L174 HydrophobicContact CG-CB 3.81Å; R66-P175 WeakPolarHBondContact CD-O 3.42Å |
| 67 | C | 96.8 | Very high | 95.9 | Very high | 31 Ų | 31 | 29.7 Ų | 29.7 | 21% | 0.209 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.5 | -31 | -175.2 | 67.6 | 0 | 0 | 0 | 0 | 113.2 | V48 Q63 L64 L65 L71 | V48-C67 HydrophobicContact CG2-CB 4.24Å; Q63-C67 WeakPolarHBondContact O-CB 3.38Å; Q63-C67 PolarHBondContact O-N 3.46Å; Q63-C67 VanDerWaalsContact O-N 3.07Å; Q63-C67 PolarHBondContact O-SG 3.06Å; L64-C67 PolarHBondContact O-SG 3.37Å; L65-C67 PolarHBondContact O-N 2.74Å; C67-L71 VanDerWaalsContact O-CB 3.28Å; C67-L71 WeakPolarHBondContact O-CB 3.49Å |
| 68 | N | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -82.5 | -42.6 | 178.1 | -74.5 | -85.6 | 0 | 0 | 0 | 111.8 | V46 V47 V48 L64 L65 R66 D70 L71 L72 Y160 | V46-N68 WeakPolarHBondContact CA-OD1 3.47Å; V46-N68 WeakPolarHBondContact CG1-OD1 3.33Å; V47-N68 PolarHBondContact N-OD1 3.19Å; V48-N68 WeakPolarHBondContact CG2-OD1 3.48Å; V48-N68 PolarHBondContact N-OD1 2.89Å; V48-N68 PolarHBondContact O-ND2 2.8Å; L64-N68 PolarHBondContact O-ND2 3.41Å; L65-N68 PolarHBondContact O-N 3.07Å; L65-N68 VanDerWaalsContact O-N 3.16Å; R66-N68 VanDerWaalsContact C-N 3.29Å; R66-N68 PolarHBondContact O-N 2.9Å; N68-D70 VanDerWaalsContact C-N 3.34Å; N68-D70 PolarHBondContact O-N 2.89Å; N68-L71 PolarHBondContact O-N 2.84Å; N68-L72 HydrophobicContact CB-CD1 4.27Å; N68-L72 VanDerWaalsContact O-CB 3.28Å; N68-L72 WeakPolarHBondContact O-CB 3.26Å; N68-L72 VanDerWaalsContact O-CG 3.28Å; N68-L72 WeakPolarHBondContact O-CG 3.38Å; N68-L72 PolarHBondContact O-N 3.06Å; N68-Y160 HydrophobicContact CB-CE1 4.07Å |
| 69 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L65 R66 L71 Y160 Y164 K167 L174 | L65-V69 HydrophobicContact CD2-CB 4.4Å; L65-V69 HydrophobicContact CD2-CG2 3.82Å; L65-V69 HydrophobicContact CG-CG2 4.19Å; L65-V69 WeakPolarHBondContact O-CG2 3.21Å; L65-V69 PolarHBondContact O-N 2.82Å; R66-V69 PolarHBondContact O-N 2.88Å; V69-L71 VanDerWaalsContact C-N 3.28Å; V69-L71 PolarHBondContact O-N 2.88Å; V69-Y160 HydrophobicContact CG2-CD1 3.73Å; V69-Y160 HydrophobicContact CG2-CE1 4.21Å; V69-Y164 HydrophobicContact CG1-CD1 4.03Å; V69-Y164 HydrophobicContact CG1-CE1 4.24Å; V69-Y164 HydrophobicContact CG1-CG 4.23Å; V69-Y164 HydrophobicContact CG2-CD2 4.19Å; V69-Y164 HydrophobicContact CG2-CE2 3.98Å; V69-K167 HydrophobicContact CG1-CB 4.12Å; V69-K167 HydrophobicContact CG1-CD 3.89Å; V69-K167 VanDerWaalsContact O-CD 3.24Å; V69-K167 WeakPolarHBondContact O-CD 3.41Å; V69-K167 PolarHBondContact O-NZ 2.7Å; V69-L174 HydrophobicContact CB-CD1 3.85Å; V69-L174 HydrophobicContact CG1-CD1 3.68Å; V69-L174 HydrophobicContact CG1-CG 4.21Å; V69-L174 HydrophobicContact CG2-CD1 4.44Å |
| 70 | D | 97.9 | Very high | 97.6 | Very high | 25 Ų | 25 | 22.1 Ų | 22.1 | 13% | 0.134 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59 | -41.8 | 175 | -82 | -3.7 | 0 | 0 | 0 | 111.8 | R66 N68 K167 R173 L174 | R66-D70 WeakPolarHBondContact O-CB 3.43Å; R66-D70 PolarHBondContact O-N 2.77Å; N68-D70 VanDerWaalsContact C-N 3.34Å; N68-D70 PolarHBondContact O-N 2.89Å; D70-K167 PolarHBondContact O-NZ 2.93Å; D70-R173 WeakPolarHBondContact OD1-CA 3.44Å; D70-R173 IonicContact OD2-CZ 2.89Å; D70-R173 VanDerWaalsContact OD2-CZ 3.31Å; D70-R173 IonicContact OD2-NE 3.84Å; D70-R173 PolarHBondContact OD2-NE 3.4Å; D70-R173 IonicContact OD2-NH2 2.78Å; D70-R173 PolarHBondContact OD2-NH2 3.07Å; D70-L174 PolarHBondContact OD1-N 3.17Å |
| 71 | L | 97.2 | Very high | 97.8 | Very high | 67 Ų | 67 | 19.4 Ų | 19.4 | 35% | 0.351 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -81.2 | -34.7 | -171.2 | -170.1 | 68.6 | 0 | 0 | 0 | 113.4 | V47 V48 C67 N68 V69 M107 | V47-L71 HydrophobicContact CG2-CD2 3.68Å; V48-L71 HydrophobicContact CG1-CD2 4.01Å; V48-L71 HydrophobicContact CG2-CD2 4.12Å; C67-L71 VanDerWaalsContact O-CB 3.28Å; C67-L71 WeakPolarHBondContact O-CB 3.49Å; N68-L71 PolarHBondContact O-N 2.84Å; V69-L71 VanDerWaalsContact C-N 3.28Å; V69-L71 PolarHBondContact O-N 2.88Å; L71-M107 HydrophobicContact CD1-CE 3.25Å; L71-M107 HydrophobicContact CD1-SD 3.8Å; L71-M107 HydrophobicContact CD2-CE 4.31Å; L71-M107 HydrophobicContact CD2-SD 3.96Å; L71-M107 HydrophobicContact CG-CE 3.49Å; L71-M107 VanDerWaalsContact CG-CE 3.49Å; L71-M107 HydrophobicContact CG-SD 3.82Å |
| 72 | L | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -101.3 | 160.6 | -170.8 | -59.3 | 175.4 | 0 | 0 | 0 | 111.5 | P44 G45 V47 N68 M107 Y164 K167 | P44-L72 HydrophobicContact CG-CB 3.98Å; P44-L72 HydrophobicContact CG-CD1 4.22Å; P44-L72 HydrophobicContact CG-CD2 4.11Å; P44-L72 HydrophobicContact CG-CG 4.33Å; G45-L72 WeakPolarHBondContact O-CD1 3.29Å; V47-L72 HydrophobicContact CG1-CD2 4.22Å; V47-L72 HydrophobicContact CG2-CD1 4.19Å; V47-L72 HydrophobicContact CG2-CD2 3.79Å; V47-L72 HydrophobicContact CG2-CG 4.22Å; N68-L72 HydrophobicContact CB-CD1 4.27Å; N68-L72 VanDerWaalsContact O-CB 3.28Å; N68-L72 WeakPolarHBondContact O-CB 3.26Å; N68-L72 VanDerWaalsContact O-CG 3.28Å; N68-L72 WeakPolarHBondContact O-CG 3.38Å; N68-L72 PolarHBondContact O-N 3.06Å; L72-M107 HydrophobicContact CD2-CB 3.79Å; L72-M107 VanDerWaalsContact CD2-O 3.26Å; L72-M107 WeakPolarHBondContact CD2-O 3.45Å; L72-Y164 WeakPolarHBondContact CB-OH 3.33Å; L72-K167 PolarHBondContact O-NZ 3.3Å |
| 73 | K | 98.4 | Very high | 98.2 | Very high | 100 Ų | 100 | 16.9 Ų | 16.9 | 44% | 0.435 | 8% | 0.083 | S | C | . | . | trans | -104.5 | 142.8 | 175.6 | -66.1 | -176.3 | -177.4 | 168.6 | 0 | 110.5 | P44 F101 D106 | P44-K73 WeakPolarHBondContact CD-O 3.29Å; K73-F101 HydrophobicContact CB-CD2 3.94Å; K73-F101 HydrophobicContact CB-CE2 3.99Å; K73-D106 WeakPolarHBondContact CD-OD1 3.48Å; K73-D106 WeakPolarHBondContact CE-OD1 3.29Å; K73-D106 IonicContact NZ-OD1 3.83Å; K73-D106 PolarHBondContact NZ-OD1 2.79Å; K73-D106 IonicContact NZ-OD2 3.63Å | ||
| 74 | I | 98.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 21.9 Ų | 21.9 | 5% | 0.051 | 11% | 0.107 | C | C | . | . | trans | -66.5 | 146.8 | 169.5 | -172.1 | 169.6 | 0 | 0 | 0 | 109.8 | T41 L77 F99 T133 Y164 | T41-I74 HydrophobicContact CG2-CD1 3.86Å; I74-L77 HydrophobicContact CD1-CB 4.29Å; I74-F99 HydrophobicContact CB-CD2 4.45Å; I74-F99 HydrophobicContact CD1-CD2 4.24Å; I74-F99 HydrophobicContact CD1-CE2 3.89Å; I74-F99 HydrophobicContact CG1-CD2 4.02Å; I74-F99 HydrophobicContact CG1-CE2 4.19Å; I74-F99 HydrophobicContact CG2-CB 4.44Å; I74-F99 HydrophobicContact CG2-CD2 3.75Å; I74-F99 HydrophobicContact CG2-CE2 4.15Å; I74-F99 HydrophobicContact CG2-CG 4.07Å; I74-T133 HydrophobicContact CG2-CG2 3.98Å; I74-Y164 HydrophobicContact CB-CD1 3.83Å; I74-Y164 HydrophobicContact CB-CE1 4.32Å; I74-Y164 HydrophobicContact CB-CG 4.23Å | ||
| 75 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -112.6 | -45.3 | -179.1 | -55.4 | 167.4 | 0 | 0 | 0 | 110.6 | E42 P44 F99 F101 I113 L116 L121 F123 H126 | E42-I75 WeakPolarHBondContact O-CA 3.39Å; E42-I75 WeakPolarHBondContact O-CB 3.37Å; E42-I75 PolarHBondContact O-N 3.25Å; P44-I75 HydrophobicContact CB-CD1 4.1Å; P44-I75 HydrophobicContact CG-CD1 4.43Å; I75-F99 PolarHBondContact O-N 3.34Å; I75-F101 HydrophobicContact CD1-CD2 4.38Å; I75-F101 HydrophobicContact CD1-CE1 4.39Å; I75-F101 HydrophobicContact CD1-CE2 4.24Å; I75-F101 HydrophobicContact CD1-CZ 4.25Å; I75-F101 HydrophobicContact CG1-CB 4.5Å; I75-F101 HydrophobicContact CG1-CD1 4.42Å; I75-F101 HydrophobicContact CG1-CD2 3.68Å; I75-F101 HydrophobicContact CG1-CE2 3.93Å; I75-F101 HydrophobicContact CG1-CG 3.95Å; I75-F101 HydrophobicContact CG1-CZ 4.4Å; I75-I113 HydrophobicContact CD1-CD1 4.41Å; I75-L116 HydrophobicContact CD1-CD1 3.73Å; I75-L121 HydrophobicContact CG2-CD2 3.63Å; I75-F123 HydrophobicContact CD1-CE1 4.17Å; I75-F123 HydrophobicContact CG2-CE1 4.32Å; I75-H126 PolarHBondContact O-CE1 3.26Å; I75-H126 VanDerWaalsContact O-CE1 3.3Å | ||
| 76 | Q | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 153.1 | 173.3 | -64.1 | -175.9 | -40.7 | 0 | 0 | 112.5 | T41 E42 F97 N98 L121 A227 | T41-Q76 WeakPolarHBondContact CA-O 3.37Å; T41-Q76 WeakPolarHBondContact CB-O 3.2Å; E42-Q76 HydrophobicContact CB-CB 4.08Å; E42-Q76 HydrophobicContact CG-CB 4.42Å; E42-Q76 PolarHBondContact N-O 3.31Å; E42-Q76 PolarHBondContact O-N 2.97Å; Q76-F97 WeakPolarHBondContact CA-O 3.38Å; Q76-N98 PolarHBondContact NE2-OD1 3.29Å; Q76-L121 HydrophobicContact CG-CD2 4.25Å; Q76-A227 HydrophobicContact CB-CB 3.71Å |
| 77 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.9 | 165.6 | 168.9 | 70 | 0 | 0 | 0 | 108.5 | M39 T41 I74 L79 F97 F99 F136 M165 | M39-L77 HydrophobicContact CG-CD1 3.46Å; M39-L77 VanDerWaalsContact CG-CD1 3.46Å; M39-L77 HydrophobicContact SD-CD1 3.84Å; T41-L77 HydrophobicContact CG2-CD1 3.76Å; I74-L77 HydrophobicContact CD1-CB 4.29Å; L77-L79 HydrophobicContact CD1-CD2 4.01Å; L77-L79 HydrophobicContact CD1-CG 4.49Å; L77-L79 HydrophobicContact CD2-CD1 4.32Å; L77-L79 HydrophobicContact CD2-CD2 4.33Å; L77-L79 HydrophobicContact CD2-CG 4.21Å; L77-L79 HydrophobicContact CG-CD2 4.19Å; L77-L79 HydrophobicContact CG-CG 4.14Å; L77-F97 HydrophobicContact CB-CB 4.32Å; L77-F97 HydrophobicContact CB-CD2 4.46Å; L77-F97 HydrophobicContact CD2-CD2 4.23Å; L77-F97 HydrophobicContact CG-CD2 4.29Å; L77-F97 PolarHBondContact N-O 2.88Å; L77-F97 PolarHBondContact O-N 3.19Å; L77-F99 HydrophobicContact CB-CE2 3.6Å; L77-F99 HydrophobicContact CB-CZ 4.14Å; L77-F136 HydrophobicContact CD2-CE1 3.8Å; L77-F136 HydrophobicContact CD2-CE2 4.45Å; L77-F136 HydrophobicContact CD2-CZ 3.48Å; L77-F136 VanDerWaalsContact CD2-CZ 3.48Å; L77-M165 HydrophobicContact CD1-SD 3.84Å; L77-M165 HydrophobicContact CD2-CE 4.24Å; L77-M165 HydrophobicContact CD2-SD 3.82Å; L77-M165 HydrophobicContact CG-SD 4.47Å |
| 78 | G | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | M39 D40 W95 A227 S231 | M39-G78 VanDerWaalsContact CA-O 3.3Å; M39-G78 WeakPolarHBondContact CA-O 3.49Å; D40-G78 PolarHBondContact N-O 2.87Å; D40-G78 PolarHBondContact O-N 3.35Å; G78-W95 CarbonylContact C-O 3.59Å; G78-W95 WeakPolarHBondContact CA-O 3.47Å; G78-A227 WeakPolarHBondContact CA-O 3.42Å; G78-S231 WeakPolarHBondContact O-CB 3.22Å |
| 79 | L | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120.1 | 172.6 | -61.2 | -177.5 | 0 | 0 | 0 | 109.6 | I37 A38 M39 L77 F81 T94 W95 F97 W153 | I37-L79 HydrophobicContact CG2-CB 4.3Å; I37-L79 HydrophobicContact CG2-CD2 3.98Å; A38-L79 WeakPolarHBondContact O-CA 3.49Å; M39-L79 HydrophobicContact CB-CD2 3.92Å; M39-L79 HydrophobicContact CG-CD2 3.63Å; L77-L79 HydrophobicContact CD1-CD2 4.01Å; L77-L79 HydrophobicContact CD1-CG 4.49Å; L77-L79 HydrophobicContact CD2-CD1 4.32Å; L77-L79 HydrophobicContact CD2-CD2 4.33Å; L77-L79 HydrophobicContact CD2-CG 4.21Å; L77-L79 HydrophobicContact CG-CD2 4.19Å; L77-L79 HydrophobicContact CG-CG 4.14Å; L79-F81 HydrophobicContact CB-CE2 3.77Å; L79-F81 HydrophobicContact CB-CZ 4.28Å; L79-F81 HydrophobicContact CD1-CZ 4.46Å; L79-T94 CarbonylContact O-C 3.59Å; L79-T94 VanDerWaalsContact O-CA 3.29Å; L79-T94 WeakPolarHBondContact O-CA 3.44Å; L79-W95 PolarHBondContact N-O 2.95Å; L79-W95 PolarHBondContact O-N 3.01Å; L79-F97 HydrophobicContact CB-CE2 4.35Å; L79-F97 HydrophobicContact CD1-CE2 3.81Å; L79-F97 HydrophobicContact CG-CE2 4.04Å; L79-W153 HydrophobicContact CD2-CH2 4.04Å; L79-W153 HydrophobicContact CD2-CZ3 3.74Å |
| 80 | T | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.7 | 175.2 | -64.3 | 0 | 0 | 0 | 0 | 110.5 | I37 A38 Y88 N93 T94 S231 L232 | I37-T80 CarbonylContact C-O 3Å; I37-T80 WeakPolarHBondContact CA-O 3.44Å; A38-T80 PolarHBondContact N-O 3.06Å; A38-T80 PolarHBondContact O-N 3.38Å; T80-Y88 HydrophobicContact CG2-CD1 4.4Å; T80-Y88 HydrophobicContact CG2-CE1 3.97Å; T80-N93 WeakPolarHBondContact CA-O 3.45Å; T80-T94 WeakPolarHBondContact CG2-OG1 3.37Å; T80-T94 WeakPolarHBondContact OG1-CB 3.14Å; T80-T94 VanDerWaalsContact OG1-CG2 3.29Å; T80-T94 WeakPolarHBondContact OG1-CG2 3.46Å; T80-T94 PolarHBondContact OG1-OG1 3.48Å; T80-S231 PolarHBondContact OG1-OG 3.16Å; T80-L232 HydrophobicContact CG2-CB 4.4Å; T80-L232 HydrophobicContact CG2-CD1 3.66Å; T80-L232 VanDerWaalsContact OG1-CA 3.29Å; T80-L232 WeakPolarHBondContact OG1-CA 3.35Å; T80-L232 PolarHBondContact OG1-N 3.2Å |
| 81 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.3 | -174.8 | -65.7 | -101.4 | 0 | 0 | 0 | 111.3 | I27 I30 V31 I37 L79 P89 N93 W95 V145 | I27-F81 HydrophobicContact CB-CZ 4.48Å; I27-F81 HydrophobicContact CD1-CE2 4.46Å; I27-F81 HydrophobicContact CG1-CE2 4.21Å; I27-F81 HydrophobicContact CG1-CZ 4.24Å; I27-F81 HydrophobicContact CG2-CE1 4.07Å; I27-F81 HydrophobicContact CG2-CE2 4.4Å; I27-F81 HydrophobicContact CG2-CZ 3.59Å; I30-F81 HydrophobicContact CG2-CB 3.74Å; I30-F81 HydrophobicContact CG2-CD1 3.99Å; I30-F81 HydrophobicContact CG2-CG 3.89Å; V31-F81 HydrophobicContact CB-CE1 4.22Å; V31-F81 HydrophobicContact CG2-CE1 4.38Å; I37-F81 HydrophobicContact CD1-CD1 4.13Å; I37-F81 HydrophobicContact CD1-CE1 3.57Å; I37-F81 HydrophobicContact CD1-CZ 4.28Å; I37-F81 HydrophobicContact CG1-CD1 3.87Å; I37-F81 HydrophobicContact CG1-CE1 3.81Å; I37-F81 HydrophobicContact CG2-CE1 4.47Å; I37-F81 HydrophobicContact CG2-CZ 4.46Å; L79-F81 HydrophobicContact CB-CE2 3.77Å; L79-F81 HydrophobicContact CB-CZ 4.28Å; L79-F81 HydrophobicContact CD1-CZ 4.46Å; F81-P89 WeakPolarHBondContact O-CD 3.49Å; F81-N93 PolarHBondContact N-O 2.83Å; F81-W95 AromaticContact CD2-CE3 3.54Å; F81-W95 HydrophobicContact CD2-CE3 3.54Å; F81-W95 AromaticContact CD2-CZ3 3.47Å; F81-W95 HydrophobicContact CD2-CZ3 3.47Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.47Å; F81-W95 AromaticContact CE2-CE3 3.61Å; F81-W95 HydrophobicContact CE2-CE3 3.61Å; F81-W95 AromaticContact CE2-CZ3 3.94Å; F81-W95 HydrophobicContact CE2-CZ3 3.94Å; F81-W95 HydrophobicContact CG-CZ3 4.3Å; F81-V145 HydrophobicContact CE1-CG2 4.23Å; F81-V145 HydrophobicContact CZ-CG2 4.36Å |
| 82 | T | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 161.6 | 177.2 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | Y34 S35 Y36 E87 Y88 F239 | Y34-T82 CarbonylContact C-O 3.53Å; Y34-T82 WeakPolarHBondContact CA-O 3.32Å; S35-T82 PolarHBondContact N-O 3.4Å; Y36-T82 WeakPolarHBondContact CB-O 3.33Å; Y36-T82 WeakPolarHBondContact CB-OG1 3.47Å; Y36-T82 PolarHBondContact N-O 3.05Å; Y36-T82 PolarHBondContact O-N 2.78Å; Y36-T82 PolarHBondContact O-OG1 3.11Å; T82-E87 VanDerWaalsContact CA-O 3.32Å; T82-E87 WeakPolarHBondContact CA-O 3.41Å; T82-Y88 HydrophobicContact CG2-CD1 3.5Å; T82-Y88 HydrophobicContact CG2-CE1 3.37Å; T82-Y88 HydrophobicContact CG2-CG 4.4Å; T82-F239 HydrophobicContact CG2-CE2 4.24Å; T82-F239 VanDerWaalsContact OG1-CE2 3.29Å; T82-F239 WeakPolarHBondContact OG1-CE2 3.46Å |
| 83 | N | 97.9 | Very high | 97.2 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 15% | 0.15 | 23% | 0.225 | C | C | . | . | trans | -91.9 | -178.8 | 169.5 | 72 | 13.5 | 0 | 0 | 0 | 111 | Y34 K85 G86 E87 F239 | Y34-N83 HydrophobicContact CD1-CB 3.96Å; Y34-N83 HydrophobicContact CE1-CB 4.3Å; N83-K85 PolarHBondContact O-N 2.63Å; N83-K85 WeakPolarHBondContact OD1-CA 3.24Å; N83-K85 WeakPolarHBondContact OD1-CB 3.44Å; N83-K85 PolarHBondContact OD1-N 3.03Å; N83-G86 PolarHBondContact O-N 3.06Å; N83-G86 PolarHBondContact OD1-N 3.13Å; N83-E87 PolarHBondContact N-O 2.89Å; N83-E87 PolarHBondContact ND2-OE2 2.81Å; N83-E87 WeakPolarHBondContact OD1-CB 3.48Å; N83-E87 PolarHBondContact OD1-N 3.05Å; N83-F239 VanDerWaalsContact O-CZ 3.32Å; N83-F239 WeakPolarHBondContact O-CZ 3.44Å | ||
| 84 | E | 96.6 | Very high | 97.3 | Very high | 132 Ų | 132 | 37.1 Ų | 37.1 | 62% | 0.617 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22.8 | -178.8 | -177.1 | 176.7 | -163.8 | 0 | 0 | 114.7 | Y36 F239 | Y36-E84 HydrophobicContact CD2-CB 4.45Å; Y36-E84 HydrophobicContact CE2-CB 3.85Å; Y36-E84 HydrophobicContact CE2-CG 4.15Å; E84-F239 WeakPolarHBondContact O-CE1 3.26Å |
| 85 | K | 95.8 | Very high | 97.3 | Very high | 160 Ų | 160 | 36.8 Ų | 36.8 | 70% | 0.696 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -2.6 | 178.1 | -62.4 | 176.4 | 177.7 | 175.8 | 0 | 113.3 | N83 E87 | N83-K85 PolarHBondContact O-N 2.63Å; N83-K85 WeakPolarHBondContact OD1-CA 3.24Å; N83-K85 WeakPolarHBondContact OD1-CB 3.44Å; N83-K85 PolarHBondContact OD1-N 3.03Å; K85-E87 VanDerWaalsContact C-N 3.32Å; K85-E87 HydrophobicContact CB-CG 4.04Å; K85-E87 WeakPolarHBondContact CD-OE1 3.32Å |
| 86 | G | 96.3 | Very high | 97.3 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 17% | 0.165 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 77.6 | 17 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N83 F239 | N83-G86 PolarHBondContact O-N 3.06Å; N83-G86 PolarHBondContact OD1-N 3.13Å; G86-F239 VanDerWaalsContact CA-CE1 3.48Å; G86-F239 VanDerWaalsContact CA-CZ 3.45Å |
| 87 | E | 97.3 | Very high | 97.3 | Very high | 99 Ų | 99 | 36.7 Ų | 36.7 | 46% | 0.463 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -82.3 | 141.8 | 174.9 | -55.5 | 163.2 | 170.5 | 0 | 0 | 109.8 | Y34 T82 N83 K85 | Y34-E87 WeakPolarHBondContact CD1-O 3.46Å; Y34-E87 WeakPolarHBondContact CE1-O 3.41Å; T82-E87 VanDerWaalsContact CA-O 3.32Å; T82-E87 WeakPolarHBondContact CA-O 3.41Å; N83-E87 PolarHBondContact N-O 2.89Å; N83-E87 PolarHBondContact ND2-OE2 2.81Å; N83-E87 WeakPolarHBondContact OD1-CB 3.48Å; N83-E87 PolarHBondContact OD1-N 3.05Å; K85-E87 VanDerWaalsContact C-N 3.32Å; K85-E87 HydrophobicContact CB-CG 4.04Å; K85-E87 WeakPolarHBondContact CD-OE1 3.32Å |
| 88 | Y | 97.2 | Very high | 97.3 | Very high | 79 Ų | 79 | 36.8 Ų | 36.8 | 31% | 0.31 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -90.9 | 154.5 | 179.6 | -59.2 | -76.3 | 0 | 0 | 0 | 112.1 | T80 T82 N93 L232 M236 | T80-Y88 HydrophobicContact CG2-CD1 4.4Å; T80-Y88 HydrophobicContact CG2-CE1 3.97Å; T82-Y88 HydrophobicContact CG2-CD1 3.5Å; T82-Y88 HydrophobicContact CG2-CE1 3.37Å; T82-Y88 HydrophobicContact CG2-CG 4.4Å; Y88-N93 HydrophobicContact CD1-CB 3.97Å; Y88-N93 HydrophobicContact CG-CB 4.32Å; Y88-L232 HydrophobicContact CE1-CD1 3.64Å; Y88-M236 VanDerWaalsContact OH-CG 3.25Å; Y88-M236 WeakPolarHBondContact OH-CG 3.33Å |
| 89 | P | 95.1 | Very high | 97.3 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 7% | 0.071 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -62 | 153.3 | 164.4 | 27.7 | -34.1 | 0 | 0 | 0 | 110.9 | I30 Y34 F81 G91 N93 | I30-P89 HydrophobicContact CD1-CB 4.46Å; I30-P89 HydrophobicContact CD1-CG 4.5Å; I30-P89 HydrophobicContact CG2-CG 4.29Å; Y34-P89 HydrophobicContact CD1-CB 4.44Å; Y34-P89 HydrophobicContact CD2-CB 4Å; Y34-P89 HydrophobicContact CE1-CB 4.21Å; Y34-P89 HydrophobicContact CE2-CB 3.72Å; Y34-P89 HydrophobicContact CG-CB 4.36Å; Y34-P89 HydrophobicContact CG-CG 4.46Å; Y34-P89 VanDerWaalsContact CZ-CA 3.43Å; Y34-P89 WeakPolarHBondContact OH-CA 3.42Å; F81-P89 WeakPolarHBondContact O-CD 3.49Å; P89-G91 PolarHBondContact O-N 3Å; P89-N93 HydrophobicContact CG-CB 3.69Å |
| 90 | S | 91.6 | Very high | 97.3 | Very high | 124 Ų | 124 | 42.5 Ų | 42.5 | 87% | 0.867 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -68.3 | 127.6 | 175.7 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 91 | G | 92.8 | Very high | 97.2 | Very high | 53 Ų | 53 | 42.6 Ų | 42.6 | 55% | 0.546 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 90.5 | -123.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | P89 N93 | P89-G91 PolarHBondContact O-N 3Å; G91-N93 PolarHBondContact O-N 3.31Å |
| 92 | I | 96.6 | Very high | 97.2 | Very high | 51 Ų | 51 | 43.4 Ų | 43.4 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | trans | -70.2 | 127.6 | 178.6 | -61.6 | 164.3 | 0 | 0 | 0 | 108.8 | C13 W95 | C13-I92 HydrophobicContact CB-CD1 3.96Å; C13-I92 HydrophobicContact CB-CG1 4.3Å; C13-I92 HydrophobicContact CB-CG2 3.59Å; I92-W95 HydrophobicContact CB-CH2 4.26Å; I92-W95 HydrophobicContact CB-CZ2 4.1Å; I92-W95 HydrophobicContact CG2-CD2 4.06Å; I92-W95 HydrophobicContact CG2-CE3 4.32Å; I92-W95 HydrophobicContact CG2-CH2 3.65Å; I92-W95 HydrophobicContact CG2-CZ2 3.42Å; I92-W95 VanDerWaalsContact CG2-CZ2 3.42Å; I92-W95 HydrophobicContact CG2-CZ3 4.13Å; I92-W95 WeakPolarHBondContact O-CH2 3.49Å | ||
| 93 | N | 97 | Very high | 97.2 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.064 | 25% | 0.246 | C | C | . | . | trans | -126.2 | -11.7 | 175.9 | 58.1 | 37.8 | 0 | 0 | 0 | 113.2 | V11 T80 F81 Y88 P89 G91 | V11-N93 PolarHBondContact O-N 3Å; V11-N93 VanDerWaalsContact O-N 3.07Å; V11-N93 PolarHBondContact O-OD1 2.91Å; T80-N93 WeakPolarHBondContact CA-O 3.45Å; F81-N93 PolarHBondContact N-O 2.83Å; Y88-N93 HydrophobicContact CD1-CB 3.97Å; Y88-N93 HydrophobicContact CG-CB 4.32Å; P89-N93 HydrophobicContact CG-CB 3.69Å; G91-N93 PolarHBondContact O-N 3.31Å | ||
| 94 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 134.1 | -180 | -60.1 | 0 | 0 | 0 | 0 | 110 | V11 I12 C13 L79 T80 G228 | V11-T94 PolarHBondContact O-N 3.24Å; I12-T94 CarbonylContact C-O 3.56Å; I12-T94 WeakPolarHBondContact CA-O 3.41Å; I12-T94 HydrophobicContact CB-CG2 4.47Å; I12-T94 HydrophobicContact CG1-CG2 4.03Å; I12-T94 HydrophobicContact CG2-CG2 4.13Å; C13-T94 PolarHBondContact N-O 2.69Å; L79-T94 CarbonylContact O-C 3.59Å; L79-T94 VanDerWaalsContact O-CA 3.29Å; L79-T94 WeakPolarHBondContact O-CA 3.44Å; T80-T94 WeakPolarHBondContact CG2-OG1 3.37Å; T80-T94 WeakPolarHBondContact OG1-CB 3.14Å; T80-T94 VanDerWaalsContact OG1-CG2 3.29Å; T80-T94 WeakPolarHBondContact OG1-CG2 3.46Å; T80-T94 PolarHBondContact OG1-OG1 3.48Å; T94-G228 VanDerWaalsContact CG2-O 3.29Å; T94-G228 WeakPolarHBondContact CG2-O 3.42Å |
| 95 | W | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.4 | 172.1 | -73.1 | -97.5 | 0 | 0 | 0 | 109.5 | C13 V15 E23 K26 I27 I30 G78 L79 F81 I92 F97 | C13-W95 HydrophobicContact CB-CG 4.47Å; V15-W95 HydrophobicContact CG2-CB 4.1Å; V15-W95 HydrophobicContact CG2-CG 4.27Å; E23-W95 PolarHBondContact OE2-NE1 2.84Å; K26-W95 HydrophobicContact CB-CZ2 4.49Å; I27-W95 HydrophobicContact CD1-CB 4.27Å; I27-W95 HydrophobicContact CD1-CD2 3.86Å; I27-W95 HydrophobicContact CD1-CE3 4.39Å; I27-W95 HydrophobicContact CD1-CG 3.77Å; I27-W95 HydrophobicContact CG1-CD2 3.83Å; I27-W95 HydrophobicContact CG1-CE3 4.14Å; I27-W95 HydrophobicContact CG1-CG 4.27Å; I27-W95 HydrophobicContact CG1-CZ2 4.26Å; I30-W95 HydrophobicContact CD1-CH2 3.3Å; I30-W95 HydrophobicContact CD1-CZ2 3.92Å; I30-W95 HydrophobicContact CD1-CZ3 4.23Å; G78-W95 CarbonylContact C-O 3.59Å; G78-W95 WeakPolarHBondContact CA-O 3.47Å; L79-W95 PolarHBondContact N-O 2.95Å; L79-W95 PolarHBondContact O-N 3.01Å; F81-W95 AromaticContact CD2-CE3 3.54Å; F81-W95 HydrophobicContact CD2-CE3 3.54Å; F81-W95 AromaticContact CD2-CZ3 3.47Å; F81-W95 HydrophobicContact CD2-CZ3 3.47Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.47Å; F81-W95 AromaticContact CE2-CE3 3.61Å; F81-W95 HydrophobicContact CE2-CE3 3.61Å; F81-W95 AromaticContact CE2-CZ3 3.94Å; F81-W95 HydrophobicContact CE2-CZ3 3.94Å; F81-W95 HydrophobicContact CG-CZ3 4.3Å; I92-W95 HydrophobicContact CB-CH2 4.26Å; I92-W95 HydrophobicContact CB-CZ2 4.1Å; I92-W95 HydrophobicContact CG2-CD2 4.06Å; I92-W95 HydrophobicContact CG2-CE3 4.32Å; I92-W95 HydrophobicContact CG2-CH2 3.65Å; I92-W95 HydrophobicContact CG2-CZ2 3.42Å; I92-W95 VanDerWaalsContact CG2-CZ2 3.42Å; I92-W95 HydrophobicContact CG2-CZ3 4.13Å; I92-W95 WeakPolarHBondContact O-CH2 3.49Å; W95-F97 HydrophobicContact CB-CD2 4.35Å; W95-F97 HydrophobicContact CB-CE2 3.64Å; W95-F97 HydrophobicContact CB-CZ 3.85Å; W95-F97 HydrophobicContact CG-CZ 4.45Å |
| 96 | Q | 98.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 102.3 | 173.5 | -179.8 | 161.8 | -75.9 | 0 | 0 | 108.5 | I12 C13 E14 V15 N98 | I12-Q96 HydrophobicContact CG2-CB 4.05Å; C13-Q96 PolarHBondContact O-N 3.12Å; E14-Q96 VanDerWaalsContact CD-NE2 3.35Å; E14-Q96 PolarHBondContact OE1-NE2 3.39Å; E14-Q96 PolarHBondContact OE2-NE2 2.84Å; V15-Q96 PolarHBondContact N-O 3.05Å; Q96-N98 PolarHBondContact O-ND2 2.88Å |
| 97 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124.6 | 176.6 | -59.4 | -87.2 | 0 | 0 | 0 | 109.6 | V15 L20 M24 I27 Q76 L77 L79 W95 F99 I131 F136 | V15-F97 HydrophobicContact CB-CD1 3.69Å; V15-F97 HydrophobicContact CB-CE1 4.07Å; V15-F97 HydrophobicContact CB-CG 4.35Å; V15-F97 HydrophobicContact CG1-CD1 3.78Å; V15-F97 HydrophobicContact CG1-CE1 3.92Å; V15-F97 HydrophobicContact CG2-CD1 3.98Å; V15-F97 HydrophobicContact CG2-CE1 3.95Å; V15-F97 HydrophobicContact CG2-CZ 4.48Å; L20-F97 HydrophobicContact CD1-CD1 4.08Å; L20-F97 HydrophobicContact CD1-CE1 4Å; M24-F97 HydrophobicContact SD-CE1 4.02Å; M24-F97 HydrophobicContact SD-CZ 4.06Å; I27-F97 HydrophobicContact CD1-CE1 4.43Å; I27-F97 HydrophobicContact CD1-CE2 4.36Å; I27-F97 HydrophobicContact CD1-CZ 3.54Å; Q76-F97 WeakPolarHBondContact CA-O 3.38Å; L77-F97 HydrophobicContact CB-CB 4.32Å; L77-F97 HydrophobicContact CB-CD2 4.46Å; L77-F97 HydrophobicContact CD2-CD2 4.23Å; L77-F97 HydrophobicContact CG-CD2 4.29Å; L77-F97 PolarHBondContact N-O 2.88Å; L77-F97 PolarHBondContact O-N 3.19Å; L79-F97 HydrophobicContact CB-CE2 4.35Å; L79-F97 HydrophobicContact CD1-CE2 3.81Å; L79-F97 HydrophobicContact CG-CE2 4.04Å; W95-F97 HydrophobicContact CB-CD2 4.35Å; W95-F97 HydrophobicContact CB-CE2 3.64Å; W95-F97 HydrophobicContact CB-CZ 3.85Å; W95-F97 HydrophobicContact CG-CZ 4.45Å; F97-F99 HydrophobicContact CB-CE2 4.18Å; F97-F99 HydrophobicContact CB-CZ 4.01Å; F97-I131 HydrophobicContact CB-CD1 3.96Å; F97-I131 HydrophobicContact CD1-CD1 3.93Å; F97-I131 HydrophobicContact CG-CD1 4.46Å; F97-F136 AromaticContact CD1-CD2 3.87Å; F97-F136 HydrophobicContact CD1-CD2 3.87Å; F97-F136 AromaticContact CD1-CE2 3.54Å; F97-F136 HydrophobicContact CD1-CE2 3.54Å; F97-F136 HydrophobicContact CD2-CE2 4.1Å; F97-F136 HydrophobicContact CD2-CZ 4.48Å; F97-F136 HydrophobicContact CE1-CD2 4.1Å; F97-F136 AromaticContact CE1-CE2 3.57Å; F97-F136 HydrophobicContact CE1-CE2 3.57Å; F97-F136 HydrophobicContact CE2-CE2 4.13Å; F97-F136 HydrophobicContact CG-CD2 4.37Å; F97-F136 AromaticContact CG-CE2 3.81Å; F97-F136 HydrophobicContact CG-CE2 3.81Å; F97-F136 HydrophobicContact CG-CZ 4.5Å; F97-F136 AromaticContact CZ-CE2 3.85Å; F97-F136 HydrophobicContact CZ-CE2 3.85Å |
| 98 | N | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 107.5 | -179.9 | -62.4 | -77.7 | 0 | 0 | 0 | 109.6 | E14 V15 W16 Q76 Q96 G130 I131 | E14-N98 PolarHBondContact OE2-ND2 2.75Å; V15-N98 WeakPolarHBondContact O-CB 3.32Å; V15-N98 PolarHBondContact O-N 3.29Å; V15-N98 PolarHBondContact O-ND2 3Å; V15-N98 VanDerWaalsContact O-ND2 3.14Å; W16-N98 HydrophobicContact CD2-CB 3.81Å; W16-N98 HydrophobicContact CE3-CB 3.53Å; W16-N98 HydrophobicContact CH2-CB 3.44Å; W16-N98 VanDerWaalsContact CH2-CB 3.44Å; W16-N98 HydrophobicContact CZ2-CB 3.72Å; W16-N98 WeakPolarHBondContact CZ2-ND2 2.96Å; W16-N98 HydrophobicContact CZ3-CB 3.35Å; Q76-N98 PolarHBondContact NE2-OD1 3.29Å; Q96-N98 PolarHBondContact O-ND2 2.88Å; N98-G130 WeakPolarHBondContact O-CA 3.32Å; N98-I131 WeakPolarHBondContact O-CB 3.36Å; N98-I131 WeakPolarHBondContact O-CG1 3.5Å; N98-I131 PolarHBondContact O-N 2.85Å |
| 99 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -86.4 | 157.1 | -175.2 | -64.5 | -71.7 | 0 | 0 | 0 | 112.8 | I74 I75 L77 F97 F101 H126 I131 T133 F136 L168 | I74-F99 HydrophobicContact CB-CD2 4.45Å; I74-F99 HydrophobicContact CD1-CD2 4.24Å; I74-F99 HydrophobicContact CD1-CE2 3.89Å; I74-F99 HydrophobicContact CG1-CD2 4.02Å; I74-F99 HydrophobicContact CG1-CE2 4.19Å; I74-F99 HydrophobicContact CG2-CB 4.44Å; I74-F99 HydrophobicContact CG2-CD2 3.75Å; I74-F99 HydrophobicContact CG2-CE2 4.15Å; I74-F99 HydrophobicContact CG2-CG 4.07Å; I75-F99 PolarHBondContact O-N 3.34Å; L77-F99 HydrophobicContact CB-CE2 3.6Å; L77-F99 HydrophobicContact CB-CZ 4.14Å; F97-F99 HydrophobicContact CB-CE2 4.18Å; F97-F99 HydrophobicContact CB-CZ 4.01Å; F99-F101 PolarHBondContact O-N 2.91Å; F99-H126 PolarHBondContact O-ND1 3.42Å; F99-I131 WeakPolarHBondContact CA-O 3.29Å; F99-I131 HydrophobicContact CD1-CB 3.86Å; F99-I131 HydrophobicContact CD1-CG2 3.88Å; F99-I131 HydrophobicContact CE1-CB 4.3Å; F99-I131 HydrophobicContact CE1-CG2 3.94Å; F99-T133 HydrophobicContact CB-CG2 4.38Å; F99-T133 HydrophobicContact CD1-CG2 3.71Å; F99-T133 HydrophobicContact CE1-CG2 4.26Å; F99-T133 HydrophobicContact CG-CG2 4.13Å; F99-F136 HydrophobicContact CE1-CB 3.86Å; F99-F136 AromaticContact CE1-CD1 3.86Å; F99-F136 HydrophobicContact CE1-CD1 3.86Å; F99-F136 HydrophobicContact CE1-CD2 4.25Å; F99-F136 AromaticContact CE1-CG 3.72Å; F99-F136 HydrophobicContact CE1-CG 3.72Å; F99-F136 AromaticContact CZ-CD1 3.87Å; F99-F136 HydrophobicContact CZ-CD1 3.87Å; F99-F136 HydrophobicContact CZ-CD2 4.38Å; F99-F136 HydrophobicContact CZ-CE1 4.08Å; F99-F136 HydrophobicContact CZ-CG 4.04Å; F99-F136 HydrophobicContact CZ-CZ 4.45Å; F99-L168 HydrophobicContact CE1-CD1 4.4Å; F99-L168 HydrophobicContact CZ-CD1 4.28Å |
| 100 | K | 98.8 | Very high | 97.4 | Very high | 121 Ų | 121 | 49.8 Ų | 49.8 | 53% | 0.526 | 27% | 0.273 | S | S | . | . | trans | -64.7 | 124.5 | 176.4 | -169.9 | 165.7 | -175.1 | 162.8 | 0 | 111.3 | H126 E127 I131 | K100-H126 WeakPolarHBondContact CA-O 3.49Å; K100-E127 WeakPolarHBondContact CE-O 3.33Å; K100-I131 PolarHBondContact N-O 3.03Å | ||
| 101 | F | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | trans | -148.3 | 134.9 | -179.2 | -165.6 | -93.8 | 0 | 0 | 0 | 110.3 | P44 K73 I75 F99 L103 D106 I113 F123 H126 E127 | P44-F101 HydrophobicContact CB-CE2 4.47Å; P44-F101 HydrophobicContact CB-CZ 4.01Å; P44-F101 HydrophobicContact CG-CE2 3.99Å; P44-F101 HydrophobicContact CG-CZ 3.98Å; K73-F101 HydrophobicContact CB-CD2 3.94Å; K73-F101 HydrophobicContact CB-CE2 3.99Å; I75-F101 HydrophobicContact CD1-CD2 4.38Å; I75-F101 HydrophobicContact CD1-CE1 4.39Å; I75-F101 HydrophobicContact CD1-CE2 4.24Å; I75-F101 HydrophobicContact CD1-CZ 4.25Å; I75-F101 HydrophobicContact CG1-CB 4.5Å; I75-F101 HydrophobicContact CG1-CD1 4.42Å; I75-F101 HydrophobicContact CG1-CD2 3.68Å; I75-F101 HydrophobicContact CG1-CE2 3.93Å; I75-F101 HydrophobicContact CG1-CG 3.95Å; I75-F101 HydrophobicContact CG1-CZ 4.4Å; F99-F101 PolarHBondContact O-N 2.91Å; F101-L103 HydrophobicContact CE1-CD2 3.94Å; F101-D106 HydrophobicContact CD2-CB 4.35Å; F101-D106 HydrophobicContact CE1-CB 4.32Å; F101-D106 HydrophobicContact CE2-CB 3.85Å; F101-D106 HydrophobicContact CZ-CB 3.82Å; F101-I113 HydrophobicContact CE1-CD1 4.11Å; F101-F123 HydrophobicContact CD1-CD1 4.04Å; F101-F123 HydrophobicContact CD1-CE1 4.15Å; F101-F123 HydrophobicContact CE1-CE1 4.4Å; F101-H126 HydrophobicContact CB-CB 4.2Å; F101-E127 VanDerWaalsContact O-CA 3.32Å; F101-E127 WeakPolarHBondContact O-CA 3.26Å; F101-E127 PolarHBondContact O-N 3.37Å | ||
| 102 | N | 98.2 | Very high | 97.8 | Very high | 18 Ų | 18 | 48.9 Ų | 48.9 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | trans | -126.2 | 114.8 | -176.9 | -171 | -35.3 | 0 | 0 | 0 | 110.9 | T104 E105 D106 E127 | N102-T104 PolarHBondContact O-N 3.47Å; N102-T104 VanDerWaalsContact O-N 3.14Å; N102-T104 WeakPolarHBondContact OD1-CA 3.25Å; N102-T104 VanDerWaalsContact OD1-CB 3.24Å; N102-T104 WeakPolarHBondContact OD1-CB 3.29Å; N102-T104 PolarHBondContact OD1-N 2.65Å; N102-T104 PolarHBondContact OD1-OG1 3.41Å; N102-E105 HydrophobicContact CB-CB 4.22Å; N102-E105 HydrophobicContact CB-CG 4.43Å; N102-E105 PolarHBondContact O-N 2.97Å; N102-D106 PolarHBondContact N-OD2 2.99Å; N102-D106 VanDerWaalsContact O-CB 3.26Å; N102-D106 WeakPolarHBondContact O-CB 3.21Å; N102-D106 PolarHBondContact O-N 3.03Å; N102-E127 HydrophobicContact CB-CG 4.24Å; N102-E127 PolarHBondContact ND2-OE1 3.45Å | ||
| 103 | L | 97.5 | Very high | 97.8 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 29% | 0.293 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14 | 179.5 | -70.1 | 172.4 | 0 | 0 | 0 | 114.4 | F101 Y108 I113 F123 | F101-L103 HydrophobicContact CE1-CD2 3.94Å; L103-Y108 HydrophobicContact CB-CE1 4.45Å; L103-Y108 HydrophobicContact CD2-CD1 4.05Å; L103-Y108 HydrophobicContact CD2-CE1 3.94Å; L103-Y108 WeakPolarHBondContact O-CE1 3.37Å; L103-I113 HydrophobicContact CD1-CG2 4.44Å; L103-I113 HydrophobicContact CD2-CB 4.49Å; L103-I113 HydrophobicContact CD2-CD1 3.79Å; L103-I113 HydrophobicContact CD2-CG1 3.88Å; L103-I113 HydrophobicContact CD2-CG2 3.78Å; L103-F123 HydrophobicContact CD1-CB 3.66Å; L103-F123 HydrophobicContact CD1-CD1 4.33Å; L103-F123 HydrophobicContact CD1-CD2 4.12Å; L103-F123 HydrophobicContact CD1-CG 3.78Å; L103-F123 HydrophobicContact CD2-CD1 4.29Å; L103-F123 HydrophobicContact CD2-CG 4.49Å; L103-F123 HydrophobicContact CG-CB 4.2Å; L103-F123 HydrophobicContact CG-CD1 4.24Å; L103-F123 HydrophobicContact CG-CG 4.19Å |
| 104 | T | 97.3 | Very high | 97.8 | Very high | 129 Ų | 129 | 50.4 Ų | 50.4 | 79% | 0.791 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -33.6 | 176.4 | -49.1 | 0 | 0 | 0 | 0 | 111.7 | N102 | N102-T104 PolarHBondContact O-N 3.47Å; N102-T104 VanDerWaalsContact O-N 3.14Å; N102-T104 WeakPolarHBondContact OD1-CA 3.25Å; N102-T104 VanDerWaalsContact OD1-CB 3.24Å; N102-T104 WeakPolarHBondContact OD1-CB 3.29Å; N102-T104 PolarHBondContact OD1-N 2.65Å; N102-T104 PolarHBondContact OD1-OG1 3.41Å |
| 105 | E | 96.1 | Very high | 97.8 | Very high | 153 Ų | 153 | 54.3 Ų | 54.3 | 72% | 0.715 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -35.8 | -171.9 | -60.3 | -173.2 | 159.6 | 0 | 0 | 113.1 | N102 | N102-E105 HydrophobicContact CB-CB 4.22Å; N102-E105 HydrophobicContact CB-CG 4.43Å; N102-E105 PolarHBondContact O-N 2.97Å |
| 106 | D | 97.8 | Very high | 97.7 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 11% | 0.112 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -89.6 | 145.9 | -170.4 | -62.6 | -40.1 | 0 | 0 | 0 | 112.1 | K73 F101 N102 Y108 | K73-D106 WeakPolarHBondContact CD-OD1 3.48Å; K73-D106 WeakPolarHBondContact CE-OD1 3.29Å; K73-D106 IonicContact NZ-OD1 3.83Å; K73-D106 PolarHBondContact NZ-OD1 2.79Å; K73-D106 IonicContact NZ-OD2 3.63Å; F101-D106 HydrophobicContact CD2-CB 4.35Å; F101-D106 HydrophobicContact CE1-CB 4.32Å; F101-D106 HydrophobicContact CE2-CB 3.85Å; F101-D106 HydrophobicContact CZ-CB 3.82Å; N102-D106 PolarHBondContact N-OD2 2.99Å; N102-D106 VanDerWaalsContact O-CB 3.26Å; N102-D106 WeakPolarHBondContact O-CB 3.21Å; N102-D106 PolarHBondContact O-N 3.03Å; D106-Y108 WeakPolarHBondContact O-CD1 3.3Å |
| 107 | M | 97.3 | Very high | 97.6 | Very high | 98 Ų | 98 | 56.5 Ų | 56.5 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | trans | -76 | 143.7 | 174.2 | -77.1 | 173.2 | -75 | 0 | 0 | 111.2 | L71 L72 | L71-M107 HydrophobicContact CD1-CE 3.25Å; L71-M107 HydrophobicContact CD1-SD 3.8Å; L71-M107 HydrophobicContact CD2-CE 4.31Å; L71-M107 HydrophobicContact CD2-SD 3.96Å; L71-M107 HydrophobicContact CG-CE 3.49Å; L71-M107 VanDerWaalsContact CG-CE 3.49Å; L71-M107 HydrophobicContact CG-SD 3.82Å; L72-M107 HydrophobicContact CD2-CB 3.79Å; L72-M107 VanDerWaalsContact CD2-O 3.26Å; L72-M107 WeakPolarHBondContact CD2-O 3.45Å | ||
| 108 | Y | 97.8 | Very high | 97.5 | Very high | 77 Ų | 77 | 61 Ų | 61 | 30% | 0.302 | 33% | 0.327 | S | S | . | . | trans | -157.9 | 162.2 | 177.6 | 57.7 | -95.3 | 0 | 0 | 0 | 113.1 | P44 L103 D106 I113 | P44-Y108 VanDerWaalsContact CB-CB 3.44Å; L103-Y108 HydrophobicContact CB-CE1 4.45Å; L103-Y108 HydrophobicContact CD2-CD1 4.05Å; L103-Y108 HydrophobicContact CD2-CE1 3.94Å; L103-Y108 WeakPolarHBondContact O-CE1 3.37Å; D106-Y108 WeakPolarHBondContact O-CD1 3.3Å; Y108-I113 HydrophobicContact CD1-CG1 4.37Å; Y108-I113 HydrophobicContact CD2-CB 4.21Å; Y108-I113 HydrophobicContact CD2-CD1 4.4Å; Y108-I113 HydrophobicContact CD2-CG1 3.31Å; Y108-I113 HydrophobicContact CE2-CG1 4Å; Y108-I113 HydrophobicContact CG-CD1 4.17Å; Y108-I113 HydrophobicContact CG-CG1 3.54Å | ||
| 109 | S | 97.4 | Very high | 97.3 | Very high | 28 Ų | 28 | 61.7 Ų | 61.7 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | trans | -85.8 | 128.7 | 162.5 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | P44 D111 S112 I113 | P44-S109 WeakPolarHBondContact O-CB 3.43Å; P44-S109 PolarHBondContact O-N 3.45Å; S109-D111 VanDerWaalsContact C-N 3.33Å; S109-D111 PolarHBondContact O-N 3.01Å; S109-S112 PolarHBondContact O-N 3.05Å; S109-S112 VanDerWaalsContact O-N 3.17Å; S109-I113 PolarHBondContact O-N 3.04Å; S109-I113 VanDerWaalsContact O-N 3.09Å | ||
| 110 | Q | 96.4 | Very high | 97.1 | Very high | 97 Ų | 97 | 62.8 Ų | 62.8 | 45% | 0.453 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | -179.5 | -172.7 | 63.3 | 54.1 | 0 | 0 | 111.7 | S112 I113 D114 | Q110-S112 PolarHBondContact O-N 3.34Å; Q110-I113 PolarHBondContact O-N 2.83Å; Q110-D114 PolarHBondContact NE2-OD1 3.21Å; Q110-D114 VanDerWaalsContact O-CG 3.31Å; Q110-D114 PolarHBondContact O-N 2.81Å |
| 111 | D | 97 | Very high | 97 | Very high | 130 Ų | 130 | 57.6 Ų | 57.6 | 70% | 0.695 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.1 | -36.3 | 179.6 | -65.7 | -11.1 | 0 | 0 | 0 | 111.9 | S109 L115 | S109-D111 VanDerWaalsContact C-N 3.33Å; S109-D111 PolarHBondContact O-N 3.01Å; D111-L115 WeakPolarHBondContact O-CB 3.08Å; D111-L115 PolarHBondContact O-N 2.92Å |
| 112 | S | 95.9 | Very high | 96.9 | Very high | 28 Ų | 28 | 63.1 Ų | 63.1 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.3 | -42.5 | 178.3 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | G45 S109 Q110 L115 L116 | G45-S112 WeakPolarHBondContact CA-OG 3.47Å; S109-S112 PolarHBondContact O-N 3.05Å; S109-S112 VanDerWaalsContact O-N 3.17Å; Q110-S112 PolarHBondContact O-N 3.34Å; S112-L115 PolarHBondContact O-N 2.69Å; S112-L116 WeakPolarHBondContact O-CB 3.36Å; S112-L116 VanDerWaalsContact O-CG 3.22Å; S112-L116 WeakPolarHBondContact O-CG 3.46Å; S112-L116 PolarHBondContact O-N 3.37Å |
| 113 | I | 97.6 | Very high | 96.9 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 5% | 0.046 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 175 | -66.1 | -53.9 | 0 | 0 | 0 | 111.3 | P44 I75 F101 L103 Y108 S109 Q110 L115 L116 A117 F123 | P44-I113 HydrophobicContact CB-CD1 4.2Å; I75-I113 HydrophobicContact CD1-CD1 4.41Å; F101-I113 HydrophobicContact CE1-CD1 4.11Å; L103-I113 HydrophobicContact CD1-CG2 4.44Å; L103-I113 HydrophobicContact CD2-CB 4.49Å; L103-I113 HydrophobicContact CD2-CD1 3.79Å; L103-I113 HydrophobicContact CD2-CG1 3.88Å; L103-I113 HydrophobicContact CD2-CG2 3.78Å; Y108-I113 HydrophobicContact CD1-CG1 4.37Å; Y108-I113 HydrophobicContact CD2-CB 4.21Å; Y108-I113 HydrophobicContact CD2-CD1 4.4Å; Y108-I113 HydrophobicContact CD2-CG1 3.31Å; Y108-I113 HydrophobicContact CE2-CG1 4Å; Y108-I113 HydrophobicContact CG-CD1 4.17Å; Y108-I113 HydrophobicContact CG-CG1 3.54Å; S109-I113 PolarHBondContact O-N 3.04Å; S109-I113 VanDerWaalsContact O-N 3.09Å; Q110-I113 PolarHBondContact O-N 2.83Å; I113-L115 PolarHBondContact O-N 3.06Å; I113-L116 PolarHBondContact O-N 2.86Å; I113-A117 VanDerWaalsContact O-CB 3.26Å; I113-A117 WeakPolarHBondContact O-CB 3.48Å; I113-A117 PolarHBondContact O-N 3.14Å; I113-F123 HydrophobicContact CD1-CE1 3.76Å; I113-F123 HydrophobicContact CD1-CE2 4.46Å; I113-F123 HydrophobicContact CD1-CZ 3.61Å; I113-F123 HydrophobicContact CG2-CD2 4.44Å; I113-F123 HydrophobicContact CG2-CE2 3.88Å; I113-F123 HydrophobicContact CG2-CZ 4.11Å |
| 114 | D | 97.6 | Very high | 97 | Very high | 86 Ų | 86 | 67 Ų | 67 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 178.6 | -69.3 | -12.4 | 0 | 0 | 0 | 111.1 | Q110 S118 | Q110-D114 PolarHBondContact NE2-OD1 3.21Å; Q110-D114 VanDerWaalsContact O-CG 3.31Å; Q110-D114 PolarHBondContact O-N 2.81Å; D114-S118 WeakPolarHBondContact O-CB 3.34Å; D114-S118 PolarHBondContact O-N 3.2Å; D114-S118 PolarHBondContact O-OG 2.84Å |
| 115 | L | 97.1 | Very high | 97 | Very high | 82 Ų | 82 | 63.4 Ų | 63.4 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.6 | -50 | 174.6 | 178.9 | 66.1 | 0 | 0 | 0 | 111.4 | D111 S112 I113 S118 S119 | D111-L115 WeakPolarHBondContact O-CB 3.08Å; D111-L115 PolarHBondContact O-N 2.92Å; S112-L115 PolarHBondContact O-N 2.69Å; I113-L115 PolarHBondContact O-N 3.06Å; L115-S118 PolarHBondContact O-N 3.48Å; L115-S118 PolarHBondContact O-OG 3.03Å; L115-S119 WeakPolarHBondContact O-CB 3.42Å; L115-S119 PolarHBondContact O-N 3.09Å; L115-S119 PolarHBondContact O-OG 3.15Å |
| 116 | L | 97.2 | Very high | 97.2 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | -178.7 | -73.4 | 176.8 | 0 | 0 | 0 | 112.5 | E42 I75 S112 I113 S118 S119 G120 L121 F123 | E42-L116 HydrophobicContact CB-CD2 4.02Å; E42-L116 HydrophobicContact CG-CD2 4.07Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.43Å; I75-L116 HydrophobicContact CD1-CD1 3.73Å; S112-L116 WeakPolarHBondContact O-CB 3.36Å; S112-L116 VanDerWaalsContact O-CG 3.22Å; S112-L116 WeakPolarHBondContact O-CG 3.46Å; S112-L116 PolarHBondContact O-N 3.37Å; I113-L116 PolarHBondContact O-N 2.86Å; L116-S118 VanDerWaalsContact C-N 3.34Å; L116-S118 PolarHBondContact O-N 2.98Å; L116-S119 CarbonylContact O-C 3.56Å; L116-S119 WeakPolarHBondContact O-CB 3.46Å; L116-S119 PolarHBondContact O-N 2.92Å; L116-S119 VanDerWaalsContact O-N 3.15Å; L116-G120 PolarHBondContact O-N 3.49Å; L116-G120 VanDerWaalsContact O-N 3.09Å; L116-L121 HydrophobicContact CB-CB 4.44Å; L116-L121 HydrophobicContact CB-CD2 4.05Å; L116-L121 HydrophobicContact CD1-CD2 4.23Å; L116-L121 HydrophobicContact CD2-CD1 4.34Å; L116-L121 HydrophobicContact CD2-CD2 4.11Å; L116-L121 HydrophobicContact CG-CD2 4.35Å; L116-L121 PolarHBondContact O-N 2.82Å; L116-F123 HydrophobicContact CB-CE2 4.32Å; L116-F123 HydrophobicContact CB-CZ 3.9Å; L116-F123 HydrophobicContact CD1-CZ 4.39Å |
| 117 | A | 97 | Very high | 97.2 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | I113 S119 G120 F123 | I113-A117 VanDerWaalsContact O-CB 3.26Å; I113-A117 WeakPolarHBondContact O-CB 3.48Å; I113-A117 PolarHBondContact O-N 3.14Å; A117-S119 PolarHBondContact O-N 3.34Å; A117-G120 WeakPolarHBondContact O-CA 3.26Å; A117-G120 PolarHBondContact O-N 2.93Å; A117-F123 HydrophobicContact CB-CD2 4.43Å; A117-F123 HydrophobicContact CB-CE2 4.02Å |
| 118 | S | 96.9 | Very high | 97.3 | Very high | 93 Ų | 93 | 59.9 Ų | 59.9 | 65% | 0.65 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.3 | -27.5 | 176.6 | 79.9 | 0 | 0 | 0 | 0 | 112.9 | D114 L115 L116 G120 | D114-S118 WeakPolarHBondContact O-CB 3.34Å; D114-S118 PolarHBondContact O-N 3.2Å; D114-S118 PolarHBondContact O-OG 2.84Å; L115-S118 PolarHBondContact O-N 3.48Å; L115-S118 PolarHBondContact O-OG 3.03Å; L116-S118 VanDerWaalsContact C-N 3.34Å; L116-S118 PolarHBondContact O-N 2.98Å; S118-G120 PolarHBondContact O-N 3.24Å |
| 119 | S | 94.8 | Very high | 97.3 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 12% | 0.119 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -3.8 | 174.7 | -53.2 | 0 | 0 | 0 | 0 | 112.4 | L115 L116 A117 H225 Q226 | L115-S119 WeakPolarHBondContact O-CB 3.42Å; L115-S119 PolarHBondContact O-N 3.09Å; L115-S119 PolarHBondContact O-OG 3.15Å; L116-S119 CarbonylContact O-C 3.56Å; L116-S119 WeakPolarHBondContact O-CB 3.46Å; L116-S119 PolarHBondContact O-N 2.92Å; L116-S119 VanDerWaalsContact O-N 3.15Å; A117-S119 PolarHBondContact O-N 3.34Å; S119-H225 WeakPolarHBondContact OG-CB 3.11Å; S119-Q226 PolarHBondContact O-NE2 3.39Å |
| 120 | G | 95.8 | Very high | 97.4 | Very high | 22 Ų | 22 | 58.9 Ų | 58.9 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | 17.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L116 A117 S118 | L116-G120 PolarHBondContact O-N 3.49Å; L116-G120 VanDerWaalsContact O-N 3.09Å; A117-G120 WeakPolarHBondContact O-CA 3.26Å; A117-G120 PolarHBondContact O-N 2.93Å; S118-G120 PolarHBondContact O-N 3.24Å |
| 121 | L | 96.6 | Very high | 97.5 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | trans | -66.6 | 133.8 | 170.3 | -88.8 | 68.4 | 0 | 0 | 0 | 110.5 | I75 Q76 L116 F123 Q226 | I75-L121 HydrophobicContact CG2-CD2 3.63Å; Q76-L121 HydrophobicContact CG-CD2 4.25Å; L116-L121 HydrophobicContact CB-CB 4.44Å; L116-L121 HydrophobicContact CB-CD2 4.05Å; L116-L121 HydrophobicContact CD1-CD2 4.23Å; L116-L121 HydrophobicContact CD2-CD1 4.34Å; L116-L121 HydrophobicContact CD2-CD2 4.11Å; L116-L121 HydrophobicContact CG-CD2 4.35Å; L116-L121 PolarHBondContact O-N 2.82Å; L121-F123 HydrophobicContact CB-CE2 4.26Å; L121-F123 HydrophobicContact CB-CZ 4.32Å; L121-F123 HydrophobicContact CD2-CZ 4.48Å; L121-Q226 HydrophobicContact CD1-CG 3.79Å | ||
| 122 | Q | 96.5 | Very high | 97.6 | Very high | 118 Ų | 118 | 52 Ų | 52 | 55% | 0.551 | 28% | 0.281 | S | S | * | . | trans | -101.4 | 79.3 | -177.2 | -65.4 | 177.7 | -12.1 | 0 | 0 | 109.7 | Q124 K125 H126 | Q122-Q124 VanDerWaalsContact C-N 3.25Å; Q122-Q124 PolarHBondContact O-N 3.34Å; Q122-Q124 VanDerWaalsContact O-N 3.16Å; Q122-K125 HydrophobicContact CB-CB 3.91Å; Q122-K125 WeakPolarHBondContact O-CA 3.35Å; Q122-K125 WeakPolarHBondContact O-CB 3.33Å; Q122-K125 PolarHBondContact O-N 2.98Å; Q122-H126 PolarHBondContact O-CD2 3.19Å; Q122-H126 PolarHBondContact O-N 3.5Å | ||
| 123 | F | 98.2 | Very high | 97.7 | Very high | 21 Ų | 21 | 53.2 Ų | 53.2 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.5 | -35.9 | -172.8 | -73.4 | -72.4 | 0 | 0 | 0 | 114.5 | I75 F101 L103 I113 L116 A117 L121 K125 H126 E127 | I75-F123 HydrophobicContact CD1-CE1 4.17Å; I75-F123 HydrophobicContact CG2-CE1 4.32Å; F101-F123 HydrophobicContact CD1-CD1 4.04Å; F101-F123 HydrophobicContact CD1-CE1 4.15Å; F101-F123 HydrophobicContact CE1-CE1 4.4Å; L103-F123 HydrophobicContact CD1-CB 3.66Å; L103-F123 HydrophobicContact CD1-CD1 4.33Å; L103-F123 HydrophobicContact CD1-CD2 4.12Å; L103-F123 HydrophobicContact CD1-CG 3.78Å; L103-F123 HydrophobicContact CD2-CD1 4.29Å; L103-F123 HydrophobicContact CD2-CG 4.49Å; L103-F123 HydrophobicContact CG-CB 4.2Å; L103-F123 HydrophobicContact CG-CD1 4.24Å; L103-F123 HydrophobicContact CG-CG 4.19Å; I113-F123 HydrophobicContact CD1-CE1 3.76Å; I113-F123 HydrophobicContact CD1-CE2 4.46Å; I113-F123 HydrophobicContact CD1-CZ 3.61Å; I113-F123 HydrophobicContact CG2-CD2 4.44Å; I113-F123 HydrophobicContact CG2-CE2 3.88Å; I113-F123 HydrophobicContact CG2-CZ 4.11Å; L116-F123 HydrophobicContact CB-CE2 4.32Å; L116-F123 HydrophobicContact CB-CZ 3.9Å; L116-F123 HydrophobicContact CD1-CZ 4.39Å; A117-F123 HydrophobicContact CB-CD2 4.43Å; A117-F123 HydrophobicContact CB-CE2 4.02Å; L121-F123 HydrophobicContact CB-CE2 4.26Å; L121-F123 HydrophobicContact CB-CZ 4.32Å; L121-F123 HydrophobicContact CD2-CZ 4.48Å; F123-K125 VanDerWaalsContact C-N 3.27Å; F123-K125 PolarHBondContact O-N 3.36Å; F123-H126 WeakPolarHBondContact O-CB 3.41Å; F123-H126 PolarHBondContact O-N 3.13Å; F123-E127 PolarHBondContact O-N 3.15Å |
| 124 | Q | 98.3 | Very high | 97.7 | Very high | 134 Ų | 134 | 56.7 Ų | 56.7 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.7 | -39.5 | 173.4 | -175.5 | 176.1 | 5.4 | 0 | 0 | 112 | Q122 E127 E128 | Q122-Q124 VanDerWaalsContact C-N 3.25Å; Q122-Q124 PolarHBondContact O-N 3.34Å; Q122-Q124 VanDerWaalsContact O-N 3.16Å; Q124-E127 WeakPolarHBondContact O-CB 3.47Å; Q124-E127 PolarHBondContact O-N 3.11Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.26Å; Q124-E128 PolarHBondContact NE2-OE1 2.99Å; Q124-E128 WeakPolarHBondContact O-CG 2.93Å; Q124-E128 PolarHBondContact O-N 2.81Å; Q124-E128 VanDerWaalsContact O-N 3.07Å |
| 125 | K | 98.6 | Very high | 97.8 | Very high | 55 Ų | 55 | 55.7 Ų | 55.7 | 24% | 0.239 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.5 | -35.7 | 177.3 | -164.3 | -179.8 | 178.5 | -164 | 0 | 112 | W16 Q122 F123 E127 E128 E129 G130 | W16-K125 HydrophobicContact CD2-CD 4.28Å; W16-K125 VanDerWaalsContact CE2-NZ 3.25Å; W16-K125 HydrophobicContact CE3-CD 4.31Å; W16-K125 HydrophobicContact CE3-CG 4.09Å; W16-K125 HydrophobicContact CH2-CB 4.07Å; W16-K125 HydrophobicContact CH2-CD 3.71Å; W16-K125 HydrophobicContact CH2-CG 3.82Å; W16-K125 HydrophobicContact CZ2-CD 3.65Å; W16-K125 HydrophobicContact CZ2-CG 4.26Å; W16-K125 HydrophobicContact CZ3-CB 4.13Å; W16-K125 HydrophobicContact CZ3-CD 4.04Å; W16-K125 HydrophobicContact CZ3-CG 3.72Å; W16-K125 VanDerWaalsContact NE1-NZ 3.17Å; Q122-K125 HydrophobicContact CB-CB 3.91Å; Q122-K125 WeakPolarHBondContact O-CA 3.35Å; Q122-K125 WeakPolarHBondContact O-CB 3.33Å; Q122-K125 PolarHBondContact O-N 2.98Å; F123-K125 VanDerWaalsContact C-N 3.27Å; F123-K125 PolarHBondContact O-N 3.36Å; K125-E127 VanDerWaalsContact C-N 3.29Å; K125-E127 PolarHBondContact O-N 3.48Å; K125-E128 PolarHBondContact O-N 3.01Å; K125-E129 WeakPolarHBondContact CE-OE2 3.33Å; K125-E129 HydrophobicContact CG-CB 4.16Å; K125-E129 HydrophobicContact CG-CG 4.3Å; K125-E129 IonicContact NZ-OE2 3.8Å; K125-E129 WeakPolarHBondContact O-CA 3.19Å; K125-E129 WeakPolarHBondContact O-CB 3.3Å; K125-E129 PolarHBondContact O-N 3.41Å; K125-G130 PolarHBondContact O-N 3.06Å |
| 126 | H | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 170.3 | -77.7 | -93.6 | 0 | 0 | 0 | 111.5 | I75 F99 K100 F101 Q122 F123 G130 | I75-H126 PolarHBondContact O-CE1 3.26Å; I75-H126 VanDerWaalsContact O-CE1 3.3Å; F99-H126 PolarHBondContact O-ND1 3.42Å; K100-H126 WeakPolarHBondContact CA-O 3.49Å; F101-H126 HydrophobicContact CB-CB 4.2Å; Q122-H126 PolarHBondContact O-CD2 3.19Å; Q122-H126 PolarHBondContact O-N 3.5Å; F123-H126 WeakPolarHBondContact O-CB 3.41Å; F123-H126 PolarHBondContact O-N 3.13Å; H126-G130 VanDerWaalsContact O-CA 3.26Å; H126-G130 WeakPolarHBondContact O-CA 3.33Å; H126-G130 PolarHBondContact O-N 3.36Å; H126-G130 VanDerWaalsContact O-N 3.1Å |
| 127 | E | 98.6 | Very high | 97.9 | Very high | 73 Ų | 73 | 52.1 Ų | 52.1 | 34% | 0.341 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 178.2 | -175.8 | 176.2 | 172.6 | 0 | 0 | 112.3 | K100 F101 N102 F123 Q124 K125 | K100-E127 WeakPolarHBondContact CE-O 3.33Å; F101-E127 VanDerWaalsContact O-CA 3.32Å; F101-E127 WeakPolarHBondContact O-CA 3.26Å; F101-E127 PolarHBondContact O-N 3.37Å; N102-E127 HydrophobicContact CB-CG 4.24Å; N102-E127 PolarHBondContact ND2-OE1 3.45Å; F123-E127 PolarHBondContact O-N 3.15Å; Q124-E127 WeakPolarHBondContact O-CB 3.47Å; Q124-E127 PolarHBondContact O-N 3.11Å; K125-E127 VanDerWaalsContact C-N 3.29Å; K125-E127 PolarHBondContact O-N 3.48Å |
| 128 | E | 98.5 | Very high | 98 | Very high | 124 Ų | 124 | 56.2 Ų | 56.2 | 58% | 0.579 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -85.5 | -40.4 | -172.3 | -67.4 | 173.6 | -170.3 | 0 | 0 | 113.6 | Q124 K125 | Q124-E128 WeakPolarHBondContact CG-OE1 3.26Å; Q124-E128 PolarHBondContact NE2-OE1 2.99Å; Q124-E128 WeakPolarHBondContact O-CG 2.93Å; Q124-E128 PolarHBondContact O-N 2.81Å; Q124-E128 VanDerWaalsContact O-N 3.07Å; K125-E128 PolarHBondContact O-N 3.01Å |
| 129 | E | 98.8 | Very high | 98.1 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -123.2 | 1.3 | -168.9 | -59.3 | 180 | -147.8 | 0 | 0 | 113.8 | W16 A17 K125 | W16-E129 HydrophobicContact CE3-CB 4.09Å; A17-E129 WeakPolarHBondContact CB-O 3.41Å; A17-E129 PolarHBondContact N-O 3.33Å; K125-E129 WeakPolarHBondContact CE-OE2 3.33Å; K125-E129 HydrophobicContact CG-CB 4.16Å; K125-E129 HydrophobicContact CG-CG 4.3Å; K125-E129 IonicContact NZ-OE2 3.8Å; K125-E129 WeakPolarHBondContact O-CA 3.19Å; K125-E129 WeakPolarHBondContact O-CB 3.3Å; K125-E129 PolarHBondContact O-N 3.41Å |
| 130 | G | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 52 Ų | 52 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 148.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N98 K125 H126 | N98-G130 WeakPolarHBondContact O-CA 3.32Å; K125-G130 PolarHBondContact O-N 3.06Å; H126-G130 VanDerWaalsContact O-CA 3.26Å; H126-G130 WeakPolarHBondContact O-CA 3.33Å; H126-G130 PolarHBondContact O-N 3.36Å; H126-G130 VanDerWaalsContact O-N 3.1Å |
| 131 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 133.6 | 178.8 | -65 | 162 | 0 | 0 | 0 | 110.3 | V15 W16 L20 F97 N98 F99 K100 F136 | V15-I131 HydrophobicContact CB-CD1 4.21Å; V15-I131 HydrophobicContact CG1-CD1 4.01Å; V15-I131 WeakPolarHBondContact O-CD1 3.46Å; W16-I131 VanDerWaalsContact C-CG1 3.46Å; L20-I131 HydrophobicContact CD1-CD1 4.21Å; L20-I131 HydrophobicContact CD2-CG2 3.7Å; F97-I131 HydrophobicContact CB-CD1 3.96Å; F97-I131 HydrophobicContact CD1-CD1 3.93Å; F97-I131 HydrophobicContact CG-CD1 4.46Å; N98-I131 WeakPolarHBondContact O-CB 3.36Å; N98-I131 WeakPolarHBondContact O-CG1 3.5Å; N98-I131 PolarHBondContact O-N 2.85Å; F99-I131 WeakPolarHBondContact CA-O 3.29Å; F99-I131 HydrophobicContact CD1-CB 3.86Å; F99-I131 HydrophobicContact CD1-CG2 3.88Å; F99-I131 HydrophobicContact CE1-CB 4.3Å; F99-I131 HydrophobicContact CE1-CG2 3.94Å; K100-I131 PolarHBondContact N-O 3.03Å; I131-F136 HydrophobicContact CG2-CB 3.75Å |
| 132 | D | 98.7 | Very high | 98.3 | Very high | 82 Ų | 82 | 58.1 Ų | 58.1 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 127 | 165.4 | 179.4 | -92 | 0 | 0 | 0 | 110.3 | L134 H135 F136 | D132-L134 VanDerWaalsContact C-N 3.31Å; D132-L134 PolarHBondContact O-N 3.4Å; D132-L134 WeakPolarHBondContact OD1-CA 3.35Å; D132-L134 WeakPolarHBondContact OD1-CB 3.45Å; D132-L134 PolarHBondContact OD1-N 3.33Å; D132-H135 HydrophobicContact CB-CB 4.2Å; D132-H135 PolarHBondContact O-N 2.89Å; D132-H135 PolarHBondContact OD1-N 3.07Å; D132-F136 PolarHBondContact O-N 2.94Å |
| 133 | T | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 52.9 Ų | 52.9 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.9 | -31 | -173.2 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | I74 F99 A137 L168 | I74-T133 HydrophobicContact CG2-CG2 3.98Å; F99-T133 HydrophobicContact CB-CG2 4.38Å; F99-T133 HydrophobicContact CD1-CG2 3.71Å; F99-T133 HydrophobicContact CE1-CG2 4.26Å; F99-T133 HydrophobicContact CG-CG2 4.13Å; T133-A137 WeakPolarHBondContact O-CB 3.36Å; T133-A137 PolarHBondContact O-N 2.79Å; T133-L168 HydrophobicContact CG2-CD1 4.28Å |
| 134 | L | 98.1 | Very high | 98.3 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.5 | -44 | 177.8 | -66.4 | 175.9 | 0 | 0 | 0 | 111 | D132 F136 A137 E138 D171 | D132-L134 VanDerWaalsContact C-N 3.31Å; D132-L134 PolarHBondContact O-N 3.4Å; D132-L134 WeakPolarHBondContact OD1-CA 3.35Å; D132-L134 WeakPolarHBondContact OD1-CB 3.45Å; D132-L134 PolarHBondContact OD1-N 3.33Å; L134-F136 VanDerWaalsContact C-N 3.29Å; L134-F136 PolarHBondContact O-N 3.31Å; L134-A137 WeakPolarHBondContact O-CB 3.32Å; L134-A137 PolarHBondContact O-N 2.84Å; L134-A137 VanDerWaalsContact O-N 3.16Å; L134-E138 PolarHBondContact O-N 2.86Å; L134-D171 HydrophobicContact CD2-CB 3.87Å; L134-D171 WeakPolarHBondContact CD2-OD1 3.39Å; L134-D171 WeakPolarHBondContact CD2-OD2 3.45Å |
| 135 | H | 98.6 | Very high | 98.3 | Very high | 65 Ų | 65 | 47 Ų | 47 | 30% | 0.301 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.1 | -41 | 175.3 | -174 | -158.9 | 0 | 0 | 0 | 111.4 | E21 D132 L139 | E21-H135 IonicContact OE1-CE1 2.83Å; D132-H135 HydrophobicContact CB-CB 4.2Å; D132-H135 PolarHBondContact O-N 2.89Å; D132-H135 PolarHBondContact OD1-N 3.07Å; H135-L139 WeakPolarHBondContact O-CG 3.36Å; H135-L139 PolarHBondContact O-N 3.42Å |
| 136 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 172.6 | 175.3 | -95.9 | 0 | 0 | 0 | 112.4 | L20 M24 L77 F97 F99 I131 D132 L134 E138 L139 L140 L168 | L20-F136 HydrophobicContact CD1-CD2 3.9Å; M24-F136 HydrophobicContact SD-CE2 4.35Å; L77-F136 HydrophobicContact CD2-CE1 3.8Å; L77-F136 HydrophobicContact CD2-CE2 4.45Å; L77-F136 HydrophobicContact CD2-CZ 3.48Å; L77-F136 VanDerWaalsContact CD2-CZ 3.48Å; F97-F136 AromaticContact CD1-CD2 3.87Å; F97-F136 HydrophobicContact CD1-CD2 3.87Å; F97-F136 AromaticContact CD1-CE2 3.54Å; F97-F136 HydrophobicContact CD1-CE2 3.54Å; F97-F136 HydrophobicContact CD2-CE2 4.1Å; F97-F136 HydrophobicContact CD2-CZ 4.48Å; F97-F136 HydrophobicContact CE1-CD2 4.1Å; F97-F136 AromaticContact CE1-CE2 3.57Å; F97-F136 HydrophobicContact CE1-CE2 3.57Å; F97-F136 HydrophobicContact CE2-CE2 4.13Å; F97-F136 HydrophobicContact CG-CD2 4.37Å; F97-F136 AromaticContact CG-CE2 3.81Å; F97-F136 HydrophobicContact CG-CE2 3.81Å; F97-F136 HydrophobicContact CG-CZ 4.5Å; F97-F136 AromaticContact CZ-CE2 3.85Å; F97-F136 HydrophobicContact CZ-CE2 3.85Å; F99-F136 HydrophobicContact CE1-CB 3.86Å; F99-F136 AromaticContact CE1-CD1 3.86Å; F99-F136 HydrophobicContact CE1-CD1 3.86Å; F99-F136 HydrophobicContact CE1-CD2 4.25Å; F99-F136 AromaticContact CE1-CG 3.72Å; F99-F136 HydrophobicContact CE1-CG 3.72Å; F99-F136 AromaticContact CZ-CD1 3.87Å; F99-F136 HydrophobicContact CZ-CD1 3.87Å; F99-F136 HydrophobicContact CZ-CD2 4.38Å; F99-F136 HydrophobicContact CZ-CE1 4.08Å; F99-F136 HydrophobicContact CZ-CG 4.04Å; F99-F136 HydrophobicContact CZ-CZ 4.45Å; I131-F136 HydrophobicContact CG2-CB 3.75Å; D132-F136 PolarHBondContact O-N 2.94Å; L134-F136 VanDerWaalsContact C-N 3.29Å; L134-F136 PolarHBondContact O-N 3.31Å; F136-E138 VanDerWaalsContact C-N 3.34Å; F136-E138 PolarHBondContact O-N 2.95Å; F136-L139 PolarHBondContact O-N 3.06Å; F136-L140 HydrophobicContact CE1-CB 4.32Å; F136-L140 HydrophobicContact CE1-CD2 3.7Å; F136-L140 HydrophobicContact CZ-CB 4.4Å; F136-L140 HydrophobicContact CZ-CD1 4.36Å; F136-L140 HydrophobicContact CZ-CD2 3.91Å; F136-L140 HydrophobicContact CZ-CG 4.46Å; F136-L140 WeakPolarHBondContact O-CB 3.2Å; F136-L140 PolarHBondContact O-N 3.13Å; F136-L168 HydrophobicContact CD1-CD1 3.79Å; F136-L168 HydrophobicContact CD1-CD2 3.79Å; F136-L168 HydrophobicContact CD1-CG 4.4Å; F136-L168 HydrophobicContact CE1-CD1 4.21Å; F136-L168 HydrophobicContact CE1-CD2 4.06Å |
| 137 | A | 98.6 | Very high | 98.3 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | T133 L134 L139 L140 M141 L168 | T133-A137 WeakPolarHBondContact O-CB 3.36Å; T133-A137 PolarHBondContact O-N 2.79Å; L134-A137 WeakPolarHBondContact O-CB 3.32Å; L134-A137 PolarHBondContact O-N 2.84Å; L134-A137 VanDerWaalsContact O-N 3.16Å; A137-L139 PolarHBondContact O-N 3.05Å; A137-L140 PolarHBondContact O-N 2.95Å; A137-M141 WeakPolarHBondContact O-CB 3.48Å; A137-M141 PolarHBondContact O-N 2.89Å; A137-L168 HydrophobicContact CB-CD2 3.49Å; A137-L168 VanDerWaalsContact CB-CD2 3.49Å; A137-L168 HydrophobicContact CB-CG 4.18Å; A137-L168 WeakPolarHBondContact CB-O 3.31Å |
| 138 | E | 98.3 | Very high | 98.1 | Very high | 134 Ų | 134 | 45.3 Ų | 45.3 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -57.1 | -49.2 | 176.5 | -178.1 | -175.2 | 169.7 | 0 | 0 | 111.7 | L134 F136 M141 | L134-E138 PolarHBondContact O-N 2.86Å; F136-E138 VanDerWaalsContact C-N 3.34Å; F136-E138 PolarHBondContact O-N 2.95Å; E138-M141 PolarHBondContact O-N 3.24Å |
| 139 | L | 98.7 | Very high | 98 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.7 | -39 | 179.8 | -66.7 | 174.9 | 0 | 0 | 0 | 111.9 | L20 E21 M24 H135 F136 A137 S143 | L20-L139 HydrophobicContact CD1-CD1 4.32Å; L20-L139 HydrophobicContact CD2-CD1 3.78Å; L20-L139 HydrophobicContact CG-CD1 3.66Å; E21-L139 HydrophobicContact CG-CD1 4.19Å; M24-L139 HydrophobicContact CB-CB 4.45Å; M24-L139 HydrophobicContact CB-CD1 4.36Å; M24-L139 HydrophobicContact CE-CB 4.02Å; M24-L139 HydrophobicContact CG-CB 4.07Å; M24-L139 HydrophobicContact CG-CD1 4Å; H135-L139 WeakPolarHBondContact O-CG 3.36Å; H135-L139 PolarHBondContact O-N 3.42Å; F136-L139 PolarHBondContact O-N 3.06Å; A137-L139 PolarHBondContact O-N 3.05Å; L139-S143 WeakPolarHBondContact O-CB 3.35Å; L139-S143 PolarHBondContact O-N 3.38Å |
| 140 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 179.7 | -171 | 66.2 | 0 | 0 | 0 | 111.3 | M24 F136 A137 T142 S143 V145 V146 M165 L169 | M24-L140 HydrophobicContact CE-CB 4.39Å; M24-L140 HydrophobicContact CE-CD1 4.2Å; F136-L140 HydrophobicContact CE1-CB 4.32Å; F136-L140 HydrophobicContact CE1-CD2 3.7Å; F136-L140 HydrophobicContact CZ-CB 4.4Å; F136-L140 HydrophobicContact CZ-CD1 4.36Å; F136-L140 HydrophobicContact CZ-CD2 3.91Å; F136-L140 HydrophobicContact CZ-CG 4.46Å; F136-L140 WeakPolarHBondContact O-CB 3.2Å; F136-L140 PolarHBondContact O-N 3.13Å; A137-L140 PolarHBondContact O-N 2.95Å; L140-T142 PolarHBondContact O-N 3.32Å; L140-T142 VanDerWaalsContact O-N 3.16Å; L140-S143 WeakPolarHBondContact O-CB 3.48Å; L140-S143 PolarHBondContact O-N 2.86Å; L140-S143 PolarHBondContact O-OG 3.48Å; L140-V145 HydrophobicContact CD1-CB 3.82Å; L140-V145 HydrophobicContact CD1-CG1 3.73Å; L140-V145 HydrophobicContact CD1-CG2 4.38Å; L140-V146 HydrophobicContact CD2-CG1 4.12Å; L140-V146 HydrophobicContact CG-CG1 4.16Å; L140-V146 HydrophobicContact CG-CG2 4.44Å; L140-M165 HydrophobicContact CD2-CE 3.64Å; L140-L169 HydrophobicContact CD2-CD2 4.07Å |
| 141 | M | 98 | Very high | 97.8 | Very high | 54 Ų | 54 | 44.1 Ų | 44.1 | 27% | 0.266 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54.3 | -37.3 | -177.6 | -169.6 | 64.7 | 73.6 | 0 | 0 | 113 | A137 E138 L147 L169 F188 | A137-M141 WeakPolarHBondContact O-CB 3.48Å; A137-M141 PolarHBondContact O-N 2.89Å; E138-M141 PolarHBondContact O-N 3.24Å; M141-L147 HydrophobicContact SD-CD1 3.62Å; M141-L169 HydrophobicContact CE-CB 4.44Å; M141-L169 HydrophobicContact CE-CD2 4.08Å; M141-L169 WeakPolarHBondContact CE-O 3.27Å; M141-F188 HydrophobicContact CE-CE1 3.76Å; M141-F188 HydrophobicContact CE-CZ 4.22Å; M141-F188 HydrophobicContact SD-CE1 3.83Å |
| 142 | T | 95.6 | Very high | 97.8 | Very high | 109 Ų | 109 | 46.5 Ų | 46.5 | 67% | 0.669 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 13.6 | -177.2 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | L140 | L140-T142 PolarHBondContact O-N 3.32Å; L140-T142 VanDerWaalsContact O-N 3.16Å |
| 143 | S | 98 | Very high | 97.8 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -85.4 | -18.8 | -174.1 | 67.2 | 0 | 0 | 0 | 0 | 115 | L139 L140 V145 | L139-S143 WeakPolarHBondContact O-CB 3.35Å; L139-S143 PolarHBondContact O-N 3.38Å; L140-S143 WeakPolarHBondContact O-CB 3.48Å; L140-S143 PolarHBondContact O-N 2.86Å; L140-S143 PolarHBondContact O-OG 3.48Å; S143-V145 VanDerWaalsContact C-N 3.3Å; S143-V145 VanDerWaalsContact OG-CB 3.26Å; S143-V145 WeakPolarHBondContact OG-CB 3.42Å; S143-V145 WeakPolarHBondContact OG-CG2 3.36Å; S143-V145 PolarHBondContact OG-N 2.82Å; S143-V145 VanDerWaalsContact OG-N 3.13Å |
| 144 | G | 97.5 | Very high | 97.8 | Very high | 33 Ų | 33 | 40.1 Ų | 40.1 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 84 | -1.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S148 V151 | G144-S148 WeakPolarHBondContact O-CB 3.33Å; G144-V151 WeakPolarHBondContact O-CG2 3.24Å |
| 145 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -76.2 | -35.3 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 112.3 | I27 V31 I37 F81 L140 S143 W153 | I27-V145 HydrophobicContact CG2-CG2 3.64Å; V31-V145 HydrophobicContact CB-CG2 4.19Å; V31-V145 HydrophobicContact CG1-CG2 4.46Å; V31-V145 HydrophobicContact CG2-CG2 4Å; I37-V145 HydrophobicContact CD1-CB 4.29Å; I37-V145 HydrophobicContact CD1-CG1 3.62Å; I37-V145 HydrophobicContact CD1-CG2 4.3Å; F81-V145 HydrophobicContact CE1-CG2 4.23Å; F81-V145 HydrophobicContact CZ-CG2 4.36Å; L140-V145 HydrophobicContact CD1-CB 3.82Å; L140-V145 HydrophobicContact CD1-CG1 3.73Å; L140-V145 HydrophobicContact CD1-CG2 4.38Å; S143-V145 VanDerWaalsContact C-N 3.3Å; S143-V145 VanDerWaalsContact OG-CB 3.26Å; S143-V145 WeakPolarHBondContact OG-CB 3.42Å; S143-V145 WeakPolarHBondContact OG-CG2 3.36Å; S143-V145 PolarHBondContact OG-N 2.82Å; S143-V145 VanDerWaalsContact OG-N 3.13Å; V145-W153 HydrophobicContact CG1-CH2 3.8Å; V145-W153 HydrophobicContact CG1-CZ2 3.5Å; V145-W153 VanDerWaalsContact CG1-CZ2 3.5Å; V145-W153 WeakPolarHBondContact O-CZ2 3.25Å; V145-W153 PolarHBondContact O-NE1 3.4Å |
| 146 | V | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -114 | 165.6 | 176 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | L140 S148 W153 L169 F189 | L140-V146 HydrophobicContact CD2-CG1 4.12Å; L140-V146 HydrophobicContact CG-CG1 4.16Å; L140-V146 HydrophobicContact CG-CG2 4.44Å; V146-S148 PolarHBondContact O-N 2.96Å; V146-W153 HydrophobicContact CG1-CZ2 3.98Å; V146-L169 HydrophobicContact CG1-CD1 4.11Å; V146-L169 HydrophobicContact CG2-CD2 4.41Å; V146-F189 HydrophobicContact CG1-CD1 4.49Å; V146-F189 HydrophobicContact CG1-CE1 3.78Å; V146-F189 HydrophobicContact CG1-CZ 4.17Å |
| 147 | L | 97.3 | Very high | 97.8 | Very high | 59 Ų | 59 | 38.7 Ų | 38.7 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 60.4 | 12.4 | -179 | -58.3 | 168.2 | 0 | 0 | 0 | 114.4 | M141 F188 K280 | M141-L147 HydrophobicContact SD-CD1 3.62Å; L147-F188 HydrophobicContact CD1-CD1 4.4Å; L147-F188 HydrophobicContact CD1-CE1 4.3Å; L147-F188 HydrophobicContact CD2-CD1 3.61Å; L147-F188 HydrophobicContact CD2-CE1 3.95Å; L147-F188 HydrophobicContact CD2-CG 4.3Å; L147-F188 HydrophobicContact CG-CD1 3.81Å; L147-F188 HydrophobicContact CG-CE1 4.19Å; L147-F188 PolarHBondContact N-O 3.23Å; L147-K280 PolarHBondContact O-NZ 3.38Å |
| 148 | S | 95.8 | Very high | 97.8 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 21% | 0.21 | 21% | 0.213 | C | C | . | . | trans | -111.3 | 123.6 | -175.8 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | G144 V146 S150 V151 | G144-S148 WeakPolarHBondContact O-CB 3.33Å; V146-S148 PolarHBondContact O-N 2.96Å; S148-S150 PolarHBondContact O-N 3.39Å; S148-S150 PolarHBondContact OG-OG 2.86Å; S148-V151 PolarHBondContact O-N 3.5Å | ||
| 149 | D | 95.1 | Very high | 97.8 | Very high | 105 Ų | 105 | 32.1 Ų | 32.1 | 56% | 0.561 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -13.8 | -179.4 | -54.3 | -39.3 | 0 | 0 | 0 | 112.5 | V151 P190 K280 | D149-V151 VanDerWaalsContact C-N 3.34Å; D149-P190 WeakPolarHBondContact OD1-CG 3.35Å; D149-K280 IonicContact OD1-NZ 2.65Å; D149-K280 IonicContact OD2-NZ 3.55Å |
| 150 | S | 95.5 | Very high | 97.8 | Very high | 77 Ų | 77 | 33.4 Ų | 33.4 | 54% | 0.538 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -12.9 | 177 | 68.4 | 0 | 0 | 0 | 0 | 113.6 | S35 S148 | S35-S150 VanDerWaalsContact CB-O 3.26Å; S35-S150 WeakPolarHBondContact CB-O 3.26Å; S35-S150 PolarHBondContact OG-O 3.07Å; S35-S150 VanDerWaalsContact OG-O 3.06Å; S148-S150 PolarHBondContact O-N 3.39Å; S148-S150 PolarHBondContact OG-OG 2.86Å |
| 151 | V | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | trans | -92.5 | 134.5 | -176.5 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | V31 S35 I37 G144 S148 D149 | V31-V151 HydrophobicContact CG2-CG2 3.89Å; S35-V151 CarbonylContact O-C 3.56Å; S35-V151 WeakPolarHBondContact O-CA 3.2Å; I37-V151 HydrophobicContact CD1-CG1 3.5Å; I37-V151 HydrophobicContact CG1-CG1 3.93Å; G144-V151 WeakPolarHBondContact O-CG2 3.24Å; S148-V151 PolarHBondContact O-N 3.5Å; D149-V151 VanDerWaalsContact C-N 3.34Å | ||
| 152 | K | 98.7 | Very high | 97.8 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 22% | 0.217 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.3 | 174.8 | -53.3 | -138.7 | -170.2 | -163.3 | 0 | 109.9 | S35 Y36 I37 Y193 | S35-K152 PolarHBondContact O-N 3.04Å; Y36-K152 CarbonylContact C-O 3.48Å; Y36-K152 WeakPolarHBondContact CA-O 3.29Å; Y36-K152 HydrophobicContact CD1-CB 3.99Å; Y36-K152 HydrophobicContact CD2-CB 4.28Å; Y36-K152 HydrophobicContact CD2-CG 4.35Å; Y36-K152 HydrophobicContact CE1-CB 3.98Å; Y36-K152 HydrophobicContact CE1-CD 3.95Å; Y36-K152 HydrophobicContact CE1-CG 4.23Å; Y36-K152 HydrophobicContact CE2-CB 4.27Å; Y36-K152 HydrophobicContact CE2-CD 4.08Å; Y36-K152 HydrophobicContact CE2-CG 3.94Å; Y36-K152 HydrophobicContact CG-CB 4.14Å; Y36-K152 WeakPolarHBondContact OH-CD 3.42Å; Y36-K152 VanDerWaalsContact OH-CE 3.31Å; Y36-K152 WeakPolarHBondContact OH-CE 3.32Å; I37-K152 PolarHBondContact N-O 3.36Å; K152-Y193 HydrophobicContact CB-CE2 4.26Å; K152-Y193 HydrophobicContact CD-CE2 3.69Å; K152-Y193 PolarHBondContact NZ-OH 3Å |
| 153 | W | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 131 | 179.5 | -71.8 | 78.3 | 0 | 0 | 0 | 111 | I37 M39 L79 V145 V146 F162 M165 F189 S191 I192 Y193 | I37-W153 HydrophobicContact CD1-CZ2 4.45Å; I37-W153 HydrophobicContact CG2-CE3 4.32Å; I37-W153 HydrophobicContact CG2-CH2 4.33Å; I37-W153 HydrophobicContact CG2-CZ3 4.11Å; I37-W153 CarbonylContact O-C 3.56Å; I37-W153 WeakPolarHBondContact O-CA 3.16Å; M39-W153 HydrophobicContact CB-CE3 3.92Å; M39-W153 HydrophobicContact CB-CZ3 3.84Å; M39-W153 HydrophobicContact CG-CE3 4.42Å; M39-W153 HydrophobicContact CG-CZ3 3.95Å; L79-W153 HydrophobicContact CD2-CH2 4.04Å; L79-W153 HydrophobicContact CD2-CZ3 3.74Å; V145-W153 HydrophobicContact CG1-CH2 3.8Å; V145-W153 HydrophobicContact CG1-CZ2 3.5Å; V145-W153 VanDerWaalsContact CG1-CZ2 3.5Å; V145-W153 WeakPolarHBondContact O-CZ2 3.25Å; V145-W153 PolarHBondContact O-NE1 3.4Å; V146-W153 HydrophobicContact CG1-CZ2 3.98Å; W153-F162 HydrophobicContact CB-CZ 4.11Å; W153-F162 HydrophobicContact CD2-CE1 4.47Å; W153-F162 HydrophobicContact CE3-CE1 4.26Å; W153-F162 HydrophobicContact CE3-CZ 4.44Å; W153-M165 HydrophobicContact CH2-CE 4.46Å; W153-F189 AromaticContact CD1-CD1 3.86Å; W153-F189 AromaticContact CD2-CD1 3.67Å; W153-F189 HydrophobicContact CD2-CD1 3.67Å; W153-F189 HydrophobicContact CD2-CE1 4.08Å; W153-F189 AromaticContact CE2-CD1 3.36Å; W153-F189 AromaticContact CE2-CE1 3.66Å; W153-F189 HydrophobicContact CE3-CD1 4.27Å; W153-F189 HydrophobicContact CE3-CE1 4.31Å; W153-F189 AromaticContact CG-CD1 3.99Å; W153-F189 HydrophobicContact CG-CD1 3.99Å; W153-F189 HydrophobicContact CH2-CD1 4.31Å; W153-F189 AromaticContact CH2-CE1 3.75Å; W153-F189 HydrophobicContact CH2-CE1 3.75Å; W153-F189 AromaticContact CZ2-CD1 3.71Å; W153-F189 HydrophobicContact CZ2-CD1 3.71Å; W153-F189 AromaticContact CZ2-CE1 3.48Å; W153-F189 HydrophobicContact CZ2-CE1 3.48Å; W153-F189 VanDerWaalsContact CZ2-CE1 3.48Å; W153-F189 HydrophobicContact CZ3-CE1 4.16Å; W153-F189 AromaticContact NE1-CD1 3.5Å; W153-S191 WeakPolarHBondContact CB-O 3.34Å; W153-S191 PolarHBondContact N-O 3.13Å; W153-I192 HydrophobicContact CB-CG1 4.23Å; W153-I192 CarbonylContact O-C 3.57Å; W153-I192 WeakPolarHBondContact O-CA 3.34Å; W153-Y193 PolarHBondContact O-N 2.87Å |
| 154 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.6 | 176.6 | -41.8 | 176.2 | 0 | 0 | 0 | 108 | Y36 I37 A38 M39 Y193 F238 F239 | Y36-L154 HydrophobicContact CD1-CD1 4.24Å; Y36-L154 HydrophobicContact CD1-CD2 4.06Å; Y36-L154 HydrophobicContact CD1-CG 4.47Å; I37-L154 PolarHBondContact O-N 3.47Å; A38-L154 CarbonylContact C-O 3.59Å; A38-L154 VanDerWaalsContact CA-O 3.25Å; A38-L154 WeakPolarHBondContact CA-O 3.36Å; A38-L154 HydrophobicContact CB-CB 4.03Å; A38-L154 HydrophobicContact CB-CD1 4.37Å; M39-L154 PolarHBondContact N-O 3.26Å; L154-Y193 HydrophobicContact CD2-CD2 3.97Å; L154-F238 HydrophobicContact CB-CG 4.48Å; L154-F238 HydrophobicContact CD1-CB 4.04Å; L154-F238 HydrophobicContact CD1-CD1 3.57Å; L154-F238 HydrophobicContact CD1-CE1 4.19Å; L154-F238 HydrophobicContact CD1-CG 3.84Å; L154-F238 HydrophobicContact CD2-CD1 3.76Å; L154-F238 HydrophobicContact CD2-CD2 3.82Å; L154-F238 HydrophobicContact CD2-CE1 3.71Å; L154-F238 HydrophobicContact CD2-CE2 3.77Å; L154-F238 HydrophobicContact CD2-CG 3.81Å; L154-F238 HydrophobicContact CD2-CZ 3.71Å; L154-F238 HydrophobicContact CG-CD1 4.26Å; L154-F238 HydrophobicContact CG-CG 4.26Å; L154-F239 HydrophobicContact CD1-CE2 3.92Å; L154-F239 HydrophobicContact CD1-CZ 4.49Å |
| 155 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 173.5 | -175 | 69 | 0 | 0 | 0 | 0 | 111.2 | S158 Y193 V195 | S155-S158 WeakPolarHBondContact CB-OG 3.03Å; S155-S158 VanDerWaalsContact OG-CB 3.22Å; S155-S158 WeakPolarHBondContact OG-CB 3.46Å; S155-S158 PolarHBondContact OG-OG 3.01Å; S155-Y193 PolarHBondContact N-O 2.98Å; S155-Y193 VanDerWaalsContact N-O 3.12Å; S155-V195 WeakPolarHBondContact O-CB 3.32Å; S155-V195 WeakPolarHBondContact O-CG2 3.28Å; S155-V195 PolarHBondContact O-N 3.42Å |
| 156 | F | 98.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 24.4 Ų | 24.4 | 7% | 0.07 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -137.2 | 113.8 | 176.4 | -172.2 | -81.8 | 0 | 0 | 0 | 111 | S158 V195 K196 M199 L209 V212 T234 | F156-S158 VanDerWaalsContact C-N 3.35Å; F156-S158 PolarHBondContact O-N 3.21Å; F156-V195 HydrophobicContact CD2-CB 3.85Å; F156-V195 HydrophobicContact CD2-CG1 3.73Å; F156-V195 HydrophobicContact CE2-CG1 4.11Å; F156-K196 HydrophobicContact CD1-CB 4.49Å; F156-K196 HydrophobicContact CD2-CB 4.44Å; F156-K196 HydrophobicContact CE1-CB 4.45Å; F156-K196 HydrophobicContact CE1-CD 3.81Å; F156-K196 HydrophobicContact CE2-CB 4.4Å; F156-K196 HydrophobicContact CE2-CD 4.17Å; F156-K196 HydrophobicContact CG-CB 4.48Å; F156-K196 HydrophobicContact CZ-CB 4.41Å; F156-K196 HydrophobicContact CZ-CD 3.55Å; F156-M199 HydrophobicContact CE2-SD 3.63Å; F156-M199 HydrophobicContact CZ-SD 4.14Å; F156-L209 HydrophobicContact CB-CD1 4.34Å; F156-L209 HydrophobicContact CD1-CB 3.98Å; F156-L209 HydrophobicContact CD2-CB 4.42Å; F156-L209 HydrophobicContact CD2-CD1 3.78Å; F156-L209 HydrophobicContact CE1-CB 3.98Å; F156-L209 HydrophobicContact CE2-CB 4.42Å; F156-L209 HydrophobicContact CE2-CD1 4.21Å; F156-L209 HydrophobicContact CG-CB 4.21Å; F156-L209 HydrophobicContact CG-CD1 4.03Å; F156-L209 HydrophobicContact CZ-CB 4.2Å; F156-V212 HydrophobicContact CE2-CB 4.43Å; F156-V212 HydrophobicContact CE2-CG2 4.14Å; F156-V212 HydrophobicContact CZ-CG2 4.24Å; F156-T234 HydrophobicContact CB-CG2 4.2Å |
| 157 | H | 97.8 | Very high | 98.1 | Very high | 102 Ų | 102 | 26.6 Ų | 26.6 | 47% | 0.472 | 14% | 0.139 | S | C | . | . | S | Bend | trans | 57 | 46.9 | 179.1 | -164.8 | -171.2 | 0 | 0 | 0 | 112.8 | G159 D194 K196 Y260 | H157-G159 PolarHBondContact O-N 3.33Å; H157-D194 PolarHBondContact N-OD1 2.72Å; H157-D194 PolarHBondContact N-OD2 3.03Å; H157-K196 HydrophobicContact CB-CB 4.03Å; H157-K196 HydrophobicContact CB-CG 4.03Å; H157-Y260 AromaticContact CD2-CD1 3.35Å; H157-Y260 WeakPolarHBondContact CD2-CD1 3.38Å; H157-Y260 AromaticContact NE2-CD1 3.47Å; H157-Y260 WeakPolarHBondContact NE2-CD1 3.19Å; H157-Y260 AromaticContact NE2-CE1 3.79Å |
| 158 | S | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -99.6 | 29.3 | -150.1 | 65.8 | 0 | 0 | 0 | 0 | 115.5 | S155 F156 D161 F162 D194 | S155-S158 WeakPolarHBondContact CB-OG 3.03Å; S155-S158 VanDerWaalsContact OG-CB 3.22Å; S155-S158 WeakPolarHBondContact OG-CB 3.46Å; S155-S158 PolarHBondContact OG-OG 3.01Å; F156-S158 VanDerWaalsContact C-N 3.35Å; F156-S158 PolarHBondContact O-N 3.21Å; S158-D161 WeakPolarHBondContact CA-OD2 3.17Å; S158-D161 VanDerWaalsContact CB-OD2 3.24Å; S158-D161 WeakPolarHBondContact CB-OD2 3.15Å; S158-F162 WeakPolarHBondContact O-CD2 3.29Å; S158-F162 PolarHBondContact O-N 2.83Å; S158-F162 VanDerWaalsContact O-N 3.14Å; S158-F162 WeakPolarHBondContact OG-CD2 3.38Å; S158-F162 WeakPolarHBondContact OG-CE2 3.37Å; S158-D194 PolarHBondContact N-OD2 3.47Å; S158-D194 VanDerWaalsContact N-OD2 3.15Å | ||
| 159 | G | 98.1 | Very high | 98.2 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 6% | 0.062 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.4 | -55.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | L65 H157 G163 | L65-G159 WeakPolarHBondContact CD1-O 3.26Å; H157-G159 PolarHBondContact O-N 3.33Å; G159-G163 PolarHBondContact O-N 2.71Å |
| 160 | Y | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 19.6 Ų | 19.6 | 19% | 0.188 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 179.9 | -82.8 | -97.2 | 0 | 0 | 0 | 112.4 | F43 V46 L64 L65 N68 V69 F162 G163 Y164 | F43-Y160 HydrophobicContact CE1-CG 4.45Å; F43-Y160 AromaticContact CE2-CD1 3.87Å; F43-Y160 HydrophobicContact CE2-CD1 3.87Å; F43-Y160 HydrophobicContact CE2-CE1 4.46Å; F43-Y160 HydrophobicContact CE2-CG 4.28Å; F43-Y160 AromaticContact CZ-CD1 3.81Å; F43-Y160 HydrophobicContact CZ-CD1 3.81Å; F43-Y160 AromaticContact CZ-CG 3.75Å; F43-Y160 HydrophobicContact CZ-CG 3.75Å; V46-Y160 HydrophobicContact CG2-CE1 4.18Å; L64-Y160 PolarHBondContact O-OH 3.43Å; L65-Y160 HydrophobicContact CB-CE1 4.41Å; L65-Y160 HydrophobicContact CB-CE2 4.12Å; L65-Y160 HydrophobicContact CD1-CD2 4.38Å; L65-Y160 HydrophobicContact CG-CD1 4.3Å; L65-Y160 HydrophobicContact CG-CD2 4.25Å; L65-Y160 HydrophobicContact CG-CE1 4.37Å; L65-Y160 HydrophobicContact CG-CE2 4.32Å; L65-Y160 HydrophobicContact CG-CG 4.25Å; N68-Y160 HydrophobicContact CB-CE1 4.07Å; V69-Y160 HydrophobicContact CG2-CD1 3.73Å; V69-Y160 HydrophobicContact CG2-CE1 4.21Å; Y160-F162 PolarHBondContact O-N 2.94Å; Y160-G163 CarbonylContact O-C 3.56Å; Y160-G163 WeakPolarHBondContact O-CA 3.22Å; Y160-G163 PolarHBondContact O-N 2.85Å; Y160-Y164 HydrophobicContact CD1-CE2 4.49Å; Y160-Y164 VanDerWaalsContact O-CD2 3.28Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.34Å; Y160-Y164 PolarHBondContact O-N 2.84Å |
| 161 | D | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 20.7 Ų | 20.7 | 5% | 0.048 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.8 | -51.6 | 180 | -52.6 | -42.6 | 0 | 0 | 0 | 111.3 | M39 T41 S158 G163 Y164 M165 | M39-D161 HydrophobicContact CE-CB 3.67Å; M39-D161 HydrophobicContact SD-CB 3.7Å; T41-D161 HydrophobicContact CG2-CB 3.99Å; T41-D161 PolarHBondContact N-OD1 3.36Å; T41-D161 PolarHBondContact OG1-OD1 2.84Å; S158-D161 WeakPolarHBondContact CA-OD2 3.17Å; S158-D161 VanDerWaalsContact CB-OD2 3.24Å; S158-D161 WeakPolarHBondContact CB-OD2 3.15Å; D161-G163 VanDerWaalsContact C-N 3.3Å; D161-G163 PolarHBondContact O-N 2.63Å; D161-Y164 PolarHBondContact O-N 3.36Å; D161-M165 WeakPolarHBondContact O-CG 3.14Å; D161-M165 PolarHBondContact O-N 3.43Å |
| 162 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.1 | -27.5 | 176.4 | -77.7 | -63 | 0 | 0 | 0 | 113 | M39 W153 S158 Y160 M165 V166 L185 F189 I192 L259 | M39-F162 HydrophobicContact CE-CD1 4Å; M39-F162 HydrophobicContact CE-CD2 4.37Å; M39-F162 HydrophobicContact CE-CE1 3.76Å; M39-F162 HydrophobicContact CE-CE2 4.14Å; M39-F162 HydrophobicContact CE-CG 4.29Å; M39-F162 HydrophobicContact CE-CZ 3.83Å; W153-F162 HydrophobicContact CB-CZ 4.11Å; W153-F162 HydrophobicContact CD2-CE1 4.47Å; W153-F162 HydrophobicContact CE3-CE1 4.26Å; W153-F162 HydrophobicContact CE3-CZ 4.44Å; S158-F162 WeakPolarHBondContact O-CD2 3.29Å; S158-F162 PolarHBondContact O-N 2.83Å; S158-F162 VanDerWaalsContact O-N 3.14Å; S158-F162 WeakPolarHBondContact OG-CD2 3.38Å; S158-F162 WeakPolarHBondContact OG-CE2 3.37Å; Y160-F162 PolarHBondContact O-N 2.94Å; F162-M165 PolarHBondContact O-N 2.89Å; F162-V166 WeakPolarHBondContact O-CB 3.33Å; F162-V166 VanDerWaalsContact O-CG2 3.31Å; F162-V166 WeakPolarHBondContact O-CG2 3.38Å; F162-V166 PolarHBondContact O-N 2.68Å; F162-L185 HydrophobicContact CB-CD1 3.6Å; F162-L185 HydrophobicContact CD1-CD1 3.76Å; F162-L185 HydrophobicContact CG-CD1 3.78Å; F162-F189 HydrophobicContact CD1-CD1 4.33Å; F162-F189 AromaticContact CD1-CD2 3.99Å; F162-F189 HydrophobicContact CD1-CD2 3.99Å; F162-F189 HydrophobicContact CD1-CE1 4.43Å; F162-F189 HydrophobicContact CD1-CE2 4.09Å; F162-F189 HydrophobicContact CD1-CG 4.13Å; F162-F189 HydrophobicContact CD1-CZ 4.33Å; F162-F189 HydrophobicContact CE1-CB 4.33Å; F162-F189 AromaticContact CE1-CD1 3.77Å; F162-F189 HydrophobicContact CE1-CD1 3.77Å; F162-F189 HydrophobicContact CE1-CD2 4.17Å; F162-F189 HydrophobicContact CE1-CE1 4.1Å; F162-F189 HydrophobicContact CE1-CE2 4.46Å; F162-F189 AromaticContact CE1-CG 3.82Å; F162-F189 HydrophobicContact CE1-CG 3.82Å; F162-F189 HydrophobicContact CE1-CZ 4.45Å; F162-I192 HydrophobicContact CD1-CD1 4.33Å; F162-I192 HydrophobicContact CD2-CD1 4.31Å; F162-I192 HydrophobicContact CD2-CG2 4.45Å; F162-I192 HydrophobicContact CE1-CD1 4Å; F162-I192 HydrophobicContact CE1-CG1 4.32Å; F162-I192 HydrophobicContact CE2-CD1 3.99Å; F162-I192 HydrophobicContact CE2-CG1 4.33Å; F162-I192 HydrophobicContact CE2-CG2 3.47Å; F162-I192 VanDerWaalsContact CE2-CG2 3.47Å; F162-I192 HydrophobicContact CG-CD1 4.49Å; F162-I192 HydrophobicContact CZ-CB 4.44Å; F162-I192 HydrophobicContact CZ-CD1 3.82Å; F162-I192 HydrophobicContact CZ-CG1 3.9Å; F162-I192 HydrophobicContact CZ-CG2 3.7Å; F162-L259 HydrophobicContact CB-CD1 4.42Å; F162-L259 HydrophobicContact CD2-CD1 4.3Å; F162-L259 HydrophobicContact CD2-CD2 3.74Å; F162-L259 HydrophobicContact CE2-CD2 4Å |
| 163 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.3 | -51.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G159 Y160 D161 V166 K167 | G159-G163 PolarHBondContact O-N 2.71Å; Y160-G163 CarbonylContact O-C 3.56Å; Y160-G163 WeakPolarHBondContact O-CA 3.22Å; Y160-G163 PolarHBondContact O-N 2.85Å; D161-G163 VanDerWaalsContact C-N 3.3Å; D161-G163 PolarHBondContact O-N 2.63Å; G163-V166 PolarHBondContact O-N 2.85Å; G163-K167 WeakPolarHBondContact O-CB 3.19Å; G163-K167 PolarHBondContact O-N 3.41Å |
| 164 | Y | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 2% | 0.02 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.6 | -41 | 176.8 | -79.5 | -73 | 0 | 0 | 0 | 112.1 | F43 V69 L72 I74 Y160 D161 K167 L168 | F43-Y164 HydrophobicContact CB-CD2 4.33Å; F43-Y164 HydrophobicContact CB-CE1 4.45Å; F43-Y164 HydrophobicContact CB-CE2 3.53Å; F43-Y164 AromaticContact CD1-CD2 3.96Å; F43-Y164 HydrophobicContact CD1-CD2 3.96Å; F43-Y164 AromaticContact CD1-CE2 3.51Å; F43-Y164 HydrophobicContact CD1-CE2 3.51Å; F43-Y164 AromaticContact CD2-CE2 3.67Å; F43-Y164 HydrophobicContact CD2-CE2 3.67Å; F43-Y164 HydrophobicContact CE1-CD2 4.47Å; F43-Y164 HydrophobicContact CE1-CE2 4.07Å; F43-Y164 HydrophobicContact CE2-CE2 4.21Å; F43-Y164 HydrophobicContact CG-CD2 4.15Å; F43-Y164 AromaticContact CG-CE2 3.28Å; F43-Y164 HydrophobicContact CG-CE2 3.28Å; F43-Y164 AromaticContact CG-CZ 3.78Å; F43-Y164 HydrophobicContact CZ-CE2 4.39Å; V69-Y164 HydrophobicContact CG1-CD1 4.03Å; V69-Y164 HydrophobicContact CG1-CE1 4.24Å; V69-Y164 HydrophobicContact CG1-CG 4.23Å; V69-Y164 HydrophobicContact CG2-CD2 4.19Å; V69-Y164 HydrophobicContact CG2-CE2 3.98Å; L72-Y164 WeakPolarHBondContact CB-OH 3.33Å; I74-Y164 HydrophobicContact CB-CD1 3.83Å; I74-Y164 HydrophobicContact CB-CE1 4.32Å; I74-Y164 HydrophobicContact CB-CG 4.23Å; Y160-Y164 HydrophobicContact CD1-CE2 4.49Å; Y160-Y164 VanDerWaalsContact O-CD2 3.28Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.34Å; Y160-Y164 PolarHBondContact O-N 2.84Å; D161-Y164 PolarHBondContact O-N 3.36Å; Y164-K167 PolarHBondContact O-N 2.86Å; Y164-L168 WeakPolarHBondContact O-CB 3.22Å; Y164-L168 PolarHBondContact O-N 3.4Å |
| 165 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 177.8 | -69.2 | -60.1 | -65.6 | 0 | 0 | 112.4 | M39 L77 L140 W153 D161 F162 L168 L169 F189 | M39-M165 HydrophobicContact CE-CG 4.21Å; L77-M165 HydrophobicContact CD1-SD 3.84Å; L77-M165 HydrophobicContact CD2-CE 4.24Å; L77-M165 HydrophobicContact CD2-SD 3.82Å; L77-M165 HydrophobicContact CG-SD 4.47Å; L140-M165 HydrophobicContact CD2-CE 3.64Å; W153-M165 HydrophobicContact CH2-CE 4.46Å; D161-M165 WeakPolarHBondContact O-CG 3.14Å; D161-M165 PolarHBondContact O-N 3.43Å; F162-M165 PolarHBondContact O-N 2.89Å; M165-L168 PolarHBondContact O-N 2.78Å; M165-L169 WeakPolarHBondContact O-CB 3.35Å; M165-L169 WeakPolarHBondContact O-CD1 3.45Å; M165-L169 VanDerWaalsContact O-CG 3.27Å; M165-L169 WeakPolarHBondContact O-CG 3.47Å; M165-L169 PolarHBondContact O-N 3.41Å; M165-F189 HydrophobicContact CB-CE2 4.15Å; M165-F189 HydrophobicContact CB-CZ 3.75Å; M165-F189 HydrophobicContact CE-CE1 4.38Å; M165-F189 HydrophobicContact CE-CZ 4.1Å; M165-F189 HydrophobicContact CG-CZ 4.41Å |
| 166 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.4 | -48.6 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | F162 G163 L168 L169 T170 L174 F181 I184 L185 F189 | F162-V166 WeakPolarHBondContact O-CB 3.33Å; F162-V166 VanDerWaalsContact O-CG2 3.31Å; F162-V166 WeakPolarHBondContact O-CG2 3.38Å; F162-V166 PolarHBondContact O-N 2.68Å; G163-V166 PolarHBondContact O-N 2.85Å; V166-L168 VanDerWaalsContact C-N 3.27Å; V166-L168 PolarHBondContact O-N 2.82Å; V166-L169 PolarHBondContact O-N 3.04Å; V166-T170 HydrophobicContact CG1-CG2 4.16Å; V166-T170 WeakPolarHBondContact O-CB 2.8Å; V166-T170 WeakPolarHBondContact O-CG2 3.4Å; V166-T170 PolarHBondContact O-N 3.42Å; V166-T170 PolarHBondContact O-OG1 2.91Å; V166-L174 HydrophobicContact CB-CD2 3.88Å; V166-L174 HydrophobicContact CG1-CD2 3.62Å; V166-F181 HydrophobicContact CB-CD2 4.5Å; V166-F181 HydrophobicContact CB-CE2 4.04Å; V166-F181 HydrophobicContact CG1-CD2 4.34Å; V166-F181 HydrophobicContact CG1-CE2 4.38Å; V166-F181 HydrophobicContact CG2-CD2 4.42Å; V166-F181 HydrophobicContact CG2-CE2 3.84Å; V166-I184 HydrophobicContact CG1-CG2 3.83Å; V166-L185 HydrophobicContact CG2-CB 4.42Å; V166-L185 HydrophobicContact CG2-CD1 3.91Å; V166-F189 HydrophobicContact CG2-CE2 4.45Å |
| 167 | K | 98.6 | Very high | 97.7 | Very high | 49 Ų | 49 | 37.6 Ų | 37.6 | 21% | 0.213 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54 | -45.3 | 175.8 | 172.1 | -179.1 | 176.9 | -179.9 | 0 | 111.8 | V69 D70 L72 G163 Y164 D171 S172 L174 | V69-K167 HydrophobicContact CG1-CB 4.12Å; V69-K167 HydrophobicContact CG1-CD 3.89Å; V69-K167 VanDerWaalsContact O-CD 3.24Å; V69-K167 WeakPolarHBondContact O-CD 3.41Å; V69-K167 PolarHBondContact O-NZ 2.7Å; D70-K167 PolarHBondContact O-NZ 2.93Å; L72-K167 PolarHBondContact O-NZ 3.3Å; G163-K167 WeakPolarHBondContact O-CB 3.19Å; G163-K167 PolarHBondContact O-N 3.41Å; Y164-K167 PolarHBondContact O-N 2.86Å; K167-D171 WeakPolarHBondContact O-CA 3.42Å; K167-D171 PolarHBondContact O-N 3.09Å; K167-S172 PolarHBondContact O-N 2.76Å; K167-L174 HydrophobicContact CB-CD2 4.24Å |
| 168 | L | 97.8 | Very high | 97.6 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.1 | -45 | -179.5 | -179.9 | 150 | 0 | 0 | 0 | 111.7 | F99 T133 F136 A137 Y164 M165 V166 | F99-L168 HydrophobicContact CE1-CD1 4.4Å; F99-L168 HydrophobicContact CZ-CD1 4.28Å; T133-L168 HydrophobicContact CG2-CD1 4.28Å; F136-L168 HydrophobicContact CD1-CD1 3.79Å; F136-L168 HydrophobicContact CD1-CD2 3.79Å; F136-L168 HydrophobicContact CD1-CG 4.4Å; F136-L168 HydrophobicContact CE1-CD1 4.21Å; F136-L168 HydrophobicContact CE1-CD2 4.06Å; A137-L168 HydrophobicContact CB-CD2 3.49Å; A137-L168 VanDerWaalsContact CB-CD2 3.49Å; A137-L168 HydrophobicContact CB-CG 4.18Å; A137-L168 WeakPolarHBondContact CB-O 3.31Å; Y164-L168 WeakPolarHBondContact O-CB 3.22Å; Y164-L168 PolarHBondContact O-N 3.4Å; M165-L168 PolarHBondContact O-N 2.78Å; V166-L168 VanDerWaalsContact C-N 3.27Å; V166-L168 PolarHBondContact O-N 2.82Å |
| 169 | L | 98 | Very high | 97.4 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -76.6 | -25.7 | -175.8 | -73.1 | 167.3 | 0 | 0 | 0 | 113.5 | L140 M141 V146 M165 V166 F188 F189 | L140-L169 HydrophobicContact CD2-CD2 4.07Å; M141-L169 HydrophobicContact CE-CB 4.44Å; M141-L169 HydrophobicContact CE-CD2 4.08Å; M141-L169 WeakPolarHBondContact CE-O 3.27Å; V146-L169 HydrophobicContact CG1-CD1 4.11Å; V146-L169 HydrophobicContact CG2-CD2 4.41Å; M165-L169 WeakPolarHBondContact O-CB 3.35Å; M165-L169 WeakPolarHBondContact O-CD1 3.45Å; M165-L169 VanDerWaalsContact O-CG 3.27Å; M165-L169 WeakPolarHBondContact O-CG 3.47Å; M165-L169 PolarHBondContact O-N 3.41Å; V166-L169 PolarHBondContact O-N 3.04Å; L169-F188 HydrophobicContact CB-CD1 4.33Å; L169-F188 HydrophobicContact CB-CD2 4.5Å; L169-F188 HydrophobicContact CB-CE1 3.99Å; L169-F188 HydrophobicContact CB-CE2 4.15Å; L169-F188 HydrophobicContact CB-CZ 3.89Å; L169-F188 HydrophobicContact CD1-CB 4.18Å; L169-F188 HydrophobicContact CD1-CD1 3.82Å; L169-F188 HydrophobicContact CD1-CD2 4.41Å; L169-F188 HydrophobicContact CD1-CE1 4.31Å; L169-F188 HydrophobicContact CD1-CG 3.89Å; L169-F189 HydrophobicContact CD1-CE2 3.96Å; L169-F189 HydrophobicContact CD1-CZ 3.57Å |
| 170 | T | 97.8 | Very high | 97.3 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 15% | 0.147 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -93.7 | -11.5 | 177.1 | 61.8 | 0 | 0 | 0 | 0 | 113.3 | V166 S172 I184 F188 | V166-T170 HydrophobicContact CG1-CG2 4.16Å; V166-T170 WeakPolarHBondContact O-CB 2.8Å; V166-T170 WeakPolarHBondContact O-CG2 3.4Å; V166-T170 PolarHBondContact O-N 3.42Å; V166-T170 PolarHBondContact O-OG1 2.91Å; T170-S172 PolarHBondContact O-N 2.91Å; T170-S172 VanDerWaalsContact O-N 3.13Å; T170-S172 PolarHBondContact O-OG 3.17Å; T170-S172 VanDerWaalsContact O-OG 3.05Å; T170-S172 PolarHBondContact OG1-N 3.25Å; T170-I184 HydrophobicContact CG2-CG2 4.03Å; T170-F188 HydrophobicContact CG2-CE2 3.89Å; T170-F188 HydrophobicContact CG2-CZ 4.4Å |
| 171 | D | 96.8 | Very high | 97.2 | Very high | 100 Ų | 100 | 41.5 Ų | 41.5 | 54% | 0.535 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 41.2 | -167.9 | -171 | 30.9 | 0 | 0 | 0 | 112.2 | L134 K167 | L134-D171 HydrophobicContact CD2-CB 3.87Å; L134-D171 WeakPolarHBondContact CD2-OD1 3.39Å; L134-D171 WeakPolarHBondContact CD2-OD2 3.45Å; K167-D171 WeakPolarHBondContact O-CA 3.42Å; K167-D171 PolarHBondContact O-N 3.09Å |
| 172 | S | 96.7 | Very high | 97.1 | Very high | 35 Ų | 35 | 41.6 Ų | 41.6 | 25% | 0.245 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -144.2 | 158.7 | -171.7 | -70.8 | 0 | 0 | 0 | 0 | 110.8 | K167 T170 | K167-S172 PolarHBondContact O-N 2.76Å; T170-S172 PolarHBondContact O-N 2.91Å; T170-S172 VanDerWaalsContact O-N 3.13Å; T170-S172 PolarHBondContact O-OG 3.17Å; T170-S172 VanDerWaalsContact O-OG 3.05Å; T170-S172 PolarHBondContact OG1-N 3.25Å |
| 173 | R | 97.8 | Very high | 97 | Very high | 175 Ų | 175 | 45.8 Ų | 45.8 | 66% | 0.66 | 22% | 0.216 | S | C | * | . | P | Polyproline II helix | trans | -59.4 | 147.5 | 168 | -64.2 | -174.8 | 65.1 | -170.4 | -0.6 | 110 | D70 | D70-R173 WeakPolarHBondContact OD1-CA 3.44Å; D70-R173 IonicContact OD2-CZ 2.89Å; D70-R173 VanDerWaalsContact OD2-CZ 3.31Å; D70-R173 IonicContact OD2-NE 3.84Å; D70-R173 PolarHBondContact OD2-NE 3.4Å; D70-R173 IonicContact OD2-NH2 2.78Å; D70-R173 PolarHBondContact OD2-NH2 3.07Å |
| 174 | L | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 146.9 | 176.8 | -71.6 | -174.7 | 0 | 0 | 0 | 110.9 | L65 R66 V69 D70 V166 K167 F181 | L65-L174 HydrophobicContact CD2-CD1 3.59Å; R66-L174 HydrophobicContact CG-CB 3.81Å; V69-L174 HydrophobicContact CB-CD1 3.85Å; V69-L174 HydrophobicContact CG1-CD1 3.68Å; V69-L174 HydrophobicContact CG1-CG 4.21Å; V69-L174 HydrophobicContact CG2-CD1 4.44Å; D70-L174 PolarHBondContact OD1-N 3.17Å; V166-L174 HydrophobicContact CB-CD2 3.88Å; V166-L174 HydrophobicContact CG1-CD2 3.62Å; K167-L174 HydrophobicContact CB-CD2 4.24Å; L174-F181 HydrophobicContact CD2-CD2 4.14Å; L174-F181 HydrophobicContact CD2-CE2 4.24Å |
| 175 | P | 97.8 | Very high | 96.9 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -52.8 | 151.9 | 179.8 | -28.9 | 36.7 | 0 | 0 | 0 | 113.4 | Y62 R66 E177 E180 F181 I184 | Y62-P175 PolarHBondContact OH-O 2.83Å; R66-P175 WeakPolarHBondContact CD-O 3.42Å; P175-E177 VanDerWaalsContact C-N 3.35Å; P175-E180 HydrophobicContact CB-CB 3.71Å; P175-E180 HydrophobicContact CG-CB 4.27Å; P175-F181 HydrophobicContact CB-CB 4.45Å; P175-F181 HydrophobicContact CG-CB 4.23Å; P175-I184 HydrophobicContact CG-CD1 3.72Å |
| 176 | E | 94.9 | Very high | 96.8 | Very high | 134 Ų | 134 | 50.5 Ų | 50.5 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -71.4 | -33.9 | -179.6 | -65.2 | -165.8 | 160.4 | 0 | 0 | 112.3 | Q63 | Q63-E176 PolarHBondContact NE2-O 2.87Š|
| 177 | E | 92.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 51.8 Ų | 51.8 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -108.2 | 135.8 | -175.9 | -65 | -80.6 | 169 | 0 | 0 | 111.2 | R55 P175 H179 E180 F181 | R55-E177 IonicContact CZ-OE1 3.5Å; R55-E177 IonicContact CZ-OE2 3.8Å; R55-E177 IonicContact NH1-OE1 2.68Å; R55-E177 PolarHBondContact NH1-OE1 3Å; R55-E177 IonicContact NH1-OE2 3.69Å; R55-E177 PolarHBondContact NH1-OE2 3.03Å; R55-E177 IonicContact NH2-OE1 2.86Å; R55-E177 PolarHBondContact NH2-OE1 3.03Å; R55-E177 IonicContact NH2-OE2 3.31Å; P175-E177 VanDerWaalsContact C-N 3.35Å; E177-H179 VanDerWaalsContact C-N 3.27Å; E177-H179 VanDerWaalsContact CB-CE1 3.46Å; E177-H179 WeakPolarHBondContact CB-CE1 3.43Å; E177-H179 PolarHBondContact O-N 2.83Å; E177-H179 VanDerWaalsContact O-N 3.17Å; E177-E180 HydrophobicContact CB-CG 4.43Å; E177-E180 PolarHBondContact O-N 2.94Å; E177-E180 VanDerWaalsContact O-N 3.1Å; E177-F181 PolarHBondContact O-N 3.07Å |
| 178 | E | 94.8 | Very high | 96.7 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 16% | 0.159 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.9 | -39.2 | -173.7 | -177.8 | -175.5 | -152.6 | 0 | 0 | 113 | I58 Y62 E180 F181 F182 L262 G263 | I58-E178 WeakPolarHBondContact CG2-OE1 3.45Å; I58-E178 WeakPolarHBondContact CG2-OE2 3.31Å; Y62-E178 HydrophobicContact CD1-CB 3.74Å; Y62-E178 HydrophobicContact CD1-CG 4.47Å; Y62-E178 HydrophobicContact CD2-CB 4.13Å; Y62-E178 HydrophobicContact CD2-CG 3.98Å; Y62-E178 HydrophobicContact CE1-CB 4.24Å; Y62-E178 HydrophobicContact CG-CB 3.69Å; Y62-E178 HydrophobicContact CG-CG 3.91Å; E178-E180 VanDerWaalsContact C-N 3.32Å; E178-E180 PolarHBondContact O-N 3.06Å; E178-F181 WeakPolarHBondContact O-CB 3.32Å; E178-F181 PolarHBondContact O-N 3.2Å; E178-F182 HydrophobicContact CG-CD2 3.8Å; E178-F182 HydrophobicContact CG-CE2 3.73Å; E178-F182 WeakPolarHBondContact O-CD2 3.22Å; E178-F182 PolarHBondContact O-N 3.19Å; E178-L262 WeakPolarHBondContact OE1-CA 3.5Å; E178-L262 WeakPolarHBondContact OE1-CB 3.49Å; E178-G263 PolarHBondContact OE1-N 3.3Å |
| 179 | H | 93.9 | Very high | 96.7 | Very high | 111 Ų | 111 | 49.1 Ų | 49.1 | 51% | 0.514 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.6 | -32.1 | -177.4 | 70.3 | -80.4 | 0 | 0 | 0 | 113.1 | E177 F182 H183 | E177-H179 VanDerWaalsContact C-N 3.27Å; E177-H179 VanDerWaalsContact CB-CE1 3.46Å; E177-H179 WeakPolarHBondContact CB-CE1 3.43Å; E177-H179 PolarHBondContact O-N 2.83Å; E177-H179 VanDerWaalsContact O-N 3.17Å; H179-F182 PolarHBondContact O-N 3.24Å; H179-H183 PolarHBondContact O-N 2.84Å |
| 180 | E | 95.9 | Very high | 96.7 | Very high | 94 Ų | 94 | 50.2 Ų | 50.2 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.6 | -38 | 174.7 | -62.8 | -177.9 | 160.2 | 0 | 0 | 110.7 | P175 E177 E178 H183 I184 | P175-E180 HydrophobicContact CB-CB 3.71Å; P175-E180 HydrophobicContact CG-CB 4.27Å; E177-E180 HydrophobicContact CB-CG 4.43Å; E177-E180 PolarHBondContact O-N 2.94Å; E177-E180 VanDerWaalsContact O-N 3.1Å; E178-E180 VanDerWaalsContact C-N 3.32Å; E178-E180 PolarHBondContact O-N 3.06Å; E180-H183 WeakPolarHBondContact O-CB 3.32Å; E180-H183 PolarHBondContact O-N 3.26Å; E180-I184 PolarHBondContact O-N 3.22Å |
| 181 | F | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 171.1 | 165.5 | -97.1 | 0 | 0 | 0 | 112 | Y62 V166 L174 P175 E177 E178 H183 I184 L185 L259 | Y62-F181 HydrophobicContact CD2-CD1 4.45Å; Y62-F181 HydrophobicContact CE2-CB 3.67Å; Y62-F181 AromaticContact CE2-CD1 3.81Å; Y62-F181 HydrophobicContact CE2-CD1 3.81Å; Y62-F181 HydrophobicContact CE2-CD2 4.27Å; Y62-F181 AromaticContact CE2-CG 3.64Å; Y62-F181 HydrophobicContact CE2-CG 3.64Å; Y62-F181 WeakPolarHBondContact OH-CB 3.26Å; V166-F181 HydrophobicContact CB-CD2 4.5Å; V166-F181 HydrophobicContact CB-CE2 4.04Å; V166-F181 HydrophobicContact CG1-CD2 4.34Å; V166-F181 HydrophobicContact CG1-CE2 4.38Å; V166-F181 HydrophobicContact CG2-CD2 4.42Å; V166-F181 HydrophobicContact CG2-CE2 3.84Å; L174-F181 HydrophobicContact CD2-CD2 4.14Å; L174-F181 HydrophobicContact CD2-CE2 4.24Å; P175-F181 HydrophobicContact CB-CB 4.45Å; P175-F181 HydrophobicContact CG-CB 4.23Å; E177-F181 PolarHBondContact O-N 3.07Å; E178-F181 WeakPolarHBondContact O-CB 3.32Å; E178-F181 PolarHBondContact O-N 3.2Å; F181-H183 VanDerWaalsContact C-N 3.28Å; F181-H183 PolarHBondContact O-N 3.33Å; F181-I184 PolarHBondContact O-N 3.43Å; F181-L185 HydrophobicContact CE1-CD2 4.13Å; F181-L185 HydrophobicContact CZ-CD1 4.3Å; F181-L185 HydrophobicContact CZ-CD2 4.4Å; F181-L185 WeakPolarHBondContact O-CB 3.33Å; F181-L185 PolarHBondContact O-N 3.4Å; F181-L259 HydrophobicContact CE1-CD1 4.36Å |
| 182 | F | 96.6 | Very high | 96.7 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 4% | 0.044 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -33.1 | 176.6 | -86.6 | -81.8 | 0 | 0 | 0 | 112.8 | E178 H179 L185 N186 L259 L262 | E178-F182 HydrophobicContact CG-CD2 3.8Å; E178-F182 HydrophobicContact CG-CE2 3.73Å; E178-F182 WeakPolarHBondContact O-CD2 3.22Å; E178-F182 PolarHBondContact O-N 3.19Å; H179-F182 PolarHBondContact O-N 3.24Å; F182-L185 HydrophobicContact CD1-CD2 3.88Å; F182-L185 HydrophobicContact CE1-CD2 4.02Å; F182-N186 WeakPolarHBondContact O-CB 3.45Å; F182-N186 PolarHBondContact O-N 3.46Å; F182-N186 PolarHBondContact O-ND2 3.12Å; F182-L259 HydrophobicContact CE1-CD1 4.19Å; F182-L259 HydrophobicContact CE1-CG 4.07Å; F182-L259 HydrophobicContact CZ-CB 4.4Å; F182-L259 HydrophobicContact CZ-CD1 4.23Å; F182-L259 HydrophobicContact CZ-CG 4.29Å; F182-L262 HydrophobicContact CE2-CB 3.98Å; F182-L262 HydrophobicContact CZ-CB 3.77Å |
| 183 | H | 96.4 | Very high | 96.8 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 41% | 0.407 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61 | -50.8 | 173.5 | 178.3 | 72 | 0 | 0 | 0 | 111 | H179 E180 F181 N186 L187 E279 | H179-H183 PolarHBondContact O-N 2.84Å; E180-H183 WeakPolarHBondContact O-CB 3.32Å; E180-H183 PolarHBondContact O-N 3.26Å; F181-H183 VanDerWaalsContact C-N 3.28Å; F181-H183 PolarHBondContact O-N 3.33Å; H183-N186 PolarHBondContact O-N 2.52Å; H183-L187 WeakPolarHBondContact O-CG 3.36Å; H183-L187 PolarHBondContact O-N 3.37Å; H183-E279 IonicContact CE1-OE1 3.31Å |
| 184 | I | 97.6 | Very high | 96.9 | Very high | 45 Ų | 45 | 35.4 Ų | 35.4 | 23% | 0.231 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 177.8 | -65.5 | 171.8 | 0 | 0 | 0 | 111.4 | V166 T170 P175 E180 F181 N186 L187 F188 | V166-I184 HydrophobicContact CG1-CG2 3.83Å; T170-I184 HydrophobicContact CG2-CG2 4.03Å; P175-I184 HydrophobicContact CG-CD1 3.72Å; E180-I184 PolarHBondContact O-N 3.22Å; F181-I184 PolarHBondContact O-N 3.43Å; I184-N186 VanDerWaalsContact C-N 3.34Å; I184-N186 PolarHBondContact O-N 3.17Å; I184-L187 WeakPolarHBondContact O-CB 3.35Å; I184-L187 PolarHBondContact O-N 2.82Å; I184-F188 HydrophobicContact CG2-CD2 3.82Å; I184-F188 HydrophobicContact CG2-CE2 3.69Å; I184-F188 WeakPolarHBondContact O-CD2 3.49Å; I184-F188 PolarHBondContact O-N 3.14Å |
| 185 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.3 | -50.4 | 178.2 | -179.3 | 73.3 | 0 | 0 | 0 | 111.3 | F162 V166 F181 F182 L187 F188 F189 I192 L259 | F162-L185 HydrophobicContact CB-CD1 3.6Å; F162-L185 HydrophobicContact CD1-CD1 3.76Å; F162-L185 HydrophobicContact CG-CD1 3.78Å; V166-L185 HydrophobicContact CG2-CB 4.42Å; V166-L185 HydrophobicContact CG2-CD1 3.91Å; F181-L185 HydrophobicContact CE1-CD2 4.13Å; F181-L185 HydrophobicContact CZ-CD1 4.3Å; F181-L185 HydrophobicContact CZ-CD2 4.4Å; F181-L185 WeakPolarHBondContact O-CB 3.33Å; F181-L185 PolarHBondContact O-N 3.4Å; F182-L185 HydrophobicContact CD1-CD2 3.88Å; F182-L185 HydrophobicContact CE1-CD2 4.02Å; L185-L187 PolarHBondContact O-N 2.66Å; L185-F188 PolarHBondContact O-N 3.43Å; L185-F189 HydrophobicContact CD1-CD2 3.7Å; L185-F189 HydrophobicContact CD1-CE2 4.3Å; L185-F189 HydrophobicContact CG-CD2 4.47Å; L185-F189 WeakPolarHBondContact O-CB 3.35Å; L185-F189 WeakPolarHBondContact O-CD2 3.07Å; L185-F189 PolarHBondContact O-N 3.43Å; L185-I192 HydrophobicContact CD1-CD1 4.08Å; L185-I192 HydrophobicContact CD2-CD1 3.87Å; L185-I192 HydrophobicContact CG-CD1 3.87Å; L185-L259 HydrophobicContact CD2-CD1 3.79Å; L185-L259 HydrophobicContact CD2-CG 4.36Å |
| 186 | N | 96.6 | Very high | 96.9 | Very high | 60 Ų | 60 | 35.9 Ų | 35.9 | 32% | 0.321 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68.5 | -18.1 | -175.9 | -68.9 | -26.9 | 0 | 0 | 0 | 113.2 | F182 H183 I184 P190 | F182-N186 WeakPolarHBondContact O-CB 3.45Å; F182-N186 PolarHBondContact O-N 3.46Å; F182-N186 PolarHBondContact O-ND2 3.12Å; H183-N186 PolarHBondContact O-N 2.52Å; I184-N186 VanDerWaalsContact C-N 3.34Å; I184-N186 PolarHBondContact O-N 3.17Å; N186-P190 WeakPolarHBondContact O-CA 3.34Å |
| 187 | L | 96 | Very high | 97 | Very high | 27 Ų | 27 | 31.9 Ų | 31.9 | 14% | 0.141 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -75.4 | -50 | 173 | -65.1 | 165 | 0 | 0 | 0 | 110.8 | H183 I184 L185 F189 I283 | H183-L187 WeakPolarHBondContact O-CG 3.36Å; H183-L187 PolarHBondContact O-N 3.37Å; I184-L187 WeakPolarHBondContact O-CB 3.35Å; I184-L187 PolarHBondContact O-N 2.82Å; L185-L187 PolarHBondContact O-N 2.66Å; L187-F189 VanDerWaalsContact C-N 3.35Å; L187-I283 HydrophobicContact CD1-CD1 3.19Å; L187-I283 HydrophobicContact CD1-CG1 4.48Å; L187-I283 HydrophobicContact CD1-CG2 4.36Å; L187-I283 HydrophobicContact CD2-CD1 4.36Å; L187-I283 HydrophobicContact CG-CD1 4.4Å |
| 188 | F | 98.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.5 | -34.7 | 179 | -73.7 | -64.9 | 0 | 0 | 0 | 112.5 | M141 L147 L169 T170 I184 L185 I287 | M141-F188 HydrophobicContact CE-CE1 3.76Å; M141-F188 HydrophobicContact CE-CZ 4.22Å; M141-F188 HydrophobicContact SD-CE1 3.83Å; L147-F188 HydrophobicContact CD1-CD1 4.4Å; L147-F188 HydrophobicContact CD1-CE1 4.3Å; L147-F188 HydrophobicContact CD2-CD1 3.61Å; L147-F188 HydrophobicContact CD2-CE1 3.95Å; L147-F188 HydrophobicContact CD2-CG 4.3Å; L147-F188 HydrophobicContact CG-CD1 3.81Å; L147-F188 HydrophobicContact CG-CE1 4.19Å; L147-F188 PolarHBondContact N-O 3.23Å; L169-F188 HydrophobicContact CB-CD1 4.33Å; L169-F188 HydrophobicContact CB-CD2 4.5Å; L169-F188 HydrophobicContact CB-CE1 3.99Å; L169-F188 HydrophobicContact CB-CE2 4.15Å; L169-F188 HydrophobicContact CB-CZ 3.89Å; L169-F188 HydrophobicContact CD1-CB 4.18Å; L169-F188 HydrophobicContact CD1-CD1 3.82Å; L169-F188 HydrophobicContact CD1-CD2 4.41Å; L169-F188 HydrophobicContact CD1-CE1 4.31Å; L169-F188 HydrophobicContact CD1-CG 3.89Å; T170-F188 HydrophobicContact CG2-CE2 3.89Å; T170-F188 HydrophobicContact CG2-CZ 4.4Å; I184-F188 HydrophobicContact CG2-CD2 3.82Å; I184-F188 HydrophobicContact CG2-CE2 3.69Å; I184-F188 WeakPolarHBondContact O-CD2 3.49Å; I184-F188 PolarHBondContact O-N 3.14Å; L185-F188 PolarHBondContact O-N 3.43Å; F188-I287 HydrophobicContact CZ-CD1 4.41Å |
| 189 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -131.7 | 74.8 | -171.2 | -51.3 | -79.4 | 0 | 0 | 0 | 110.4 | V146 W153 F162 M165 V166 L169 L185 L187 S191 I192 | V146-F189 HydrophobicContact CG1-CD1 4.49Å; V146-F189 HydrophobicContact CG1-CE1 3.78Å; V146-F189 HydrophobicContact CG1-CZ 4.17Å; W153-F189 AromaticContact CD1-CD1 3.86Å; W153-F189 AromaticContact CD2-CD1 3.67Å; W153-F189 HydrophobicContact CD2-CD1 3.67Å; W153-F189 HydrophobicContact CD2-CE1 4.08Å; W153-F189 AromaticContact CE2-CD1 3.36Å; W153-F189 AromaticContact CE2-CE1 3.66Å; W153-F189 HydrophobicContact CE3-CD1 4.27Å; W153-F189 HydrophobicContact CE3-CE1 4.31Å; W153-F189 AromaticContact CG-CD1 3.99Å; W153-F189 HydrophobicContact CG-CD1 3.99Å; W153-F189 HydrophobicContact CH2-CD1 4.31Å; W153-F189 AromaticContact CH2-CE1 3.75Å; W153-F189 HydrophobicContact CH2-CE1 3.75Å; W153-F189 AromaticContact CZ2-CD1 3.71Å; W153-F189 HydrophobicContact CZ2-CD1 3.71Å; W153-F189 AromaticContact CZ2-CE1 3.48Å; W153-F189 HydrophobicContact CZ2-CE1 3.48Å; W153-F189 VanDerWaalsContact CZ2-CE1 3.48Å; W153-F189 HydrophobicContact CZ3-CE1 4.16Å; W153-F189 AromaticContact NE1-CD1 3.5Å; F162-F189 HydrophobicContact CD1-CD1 4.33Å; F162-F189 AromaticContact CD1-CD2 3.99Å; F162-F189 HydrophobicContact CD1-CD2 3.99Å; F162-F189 HydrophobicContact CD1-CE1 4.43Å; F162-F189 HydrophobicContact CD1-CE2 4.09Å; F162-F189 HydrophobicContact CD1-CG 4.13Å; F162-F189 HydrophobicContact CD1-CZ 4.33Å; F162-F189 HydrophobicContact CE1-CB 4.33Å; F162-F189 AromaticContact CE1-CD1 3.77Å; F162-F189 HydrophobicContact CE1-CD1 3.77Å; F162-F189 HydrophobicContact CE1-CD2 4.17Å; F162-F189 HydrophobicContact CE1-CE1 4.1Å; F162-F189 HydrophobicContact CE1-CE2 4.46Å; F162-F189 AromaticContact CE1-CG 3.82Å; F162-F189 HydrophobicContact CE1-CG 3.82Å; F162-F189 HydrophobicContact CE1-CZ 4.45Å; M165-F189 HydrophobicContact CB-CE2 4.15Å; M165-F189 HydrophobicContact CB-CZ 3.75Å; M165-F189 HydrophobicContact CE-CE1 4.38Å; M165-F189 HydrophobicContact CE-CZ 4.1Å; M165-F189 HydrophobicContact CG-CZ 4.41Å; V166-F189 HydrophobicContact CG2-CE2 4.45Å; L169-F189 HydrophobicContact CD1-CE2 3.96Å; L169-F189 HydrophobicContact CD1-CZ 3.57Å; L185-F189 HydrophobicContact CD1-CD2 3.7Å; L185-F189 HydrophobicContact CD1-CE2 4.3Å; L185-F189 HydrophobicContact CG-CD2 4.47Å; L185-F189 WeakPolarHBondContact O-CB 3.35Å; L185-F189 WeakPolarHBondContact O-CD2 3.07Å; L185-F189 PolarHBondContact O-N 3.43Å; L187-F189 VanDerWaalsContact C-N 3.35Å; F189-S191 PolarHBondContact O-N 3.43Å; F189-I192 HydrophobicContact CB-CD1 3.7Å; F189-I192 HydrophobicContact CB-CG1 3.77Å | ||
| 190 | P | 96.9 | Very high | 97.2 | Very high | 31 Ų | 31 | 29 Ų | 29 | 20% | 0.201 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -61.9 | -29.7 | -172.3 | -25.1 | 35.5 | 0 | 0 | 0 | 114.3 | D149 N186 | D149-P190 WeakPolarHBondContact OD1-CG 3.35Å; N186-P190 WeakPolarHBondContact O-CA 3.34Å |
| 191 | S | 97.8 | Very high | 97.1 | Very high | 19 Ų | 19 | 27.1 Ų | 27.1 | 13% | 0.133 | 14% | 0.137 | C | C | . | . | trans | -126.3 | 110.2 | 179.2 | -69.1 | 0 | 0 | 0 | 0 | 111.2 | W153 F189 | W153-S191 WeakPolarHBondContact CB-O 3.34Å; W153-S191 PolarHBondContact N-O 3.13Å; F189-S191 PolarHBondContact O-N 3.43Å | ||
| 192 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.9 | 176.8 | -55.8 | 170.1 | 0 | 0 | 0 | 109.6 | W153 F162 L185 F189 C256 G257 L259 | W153-I192 HydrophobicContact CB-CG1 4.23Å; W153-I192 CarbonylContact O-C 3.57Å; W153-I192 WeakPolarHBondContact O-CA 3.34Å; F162-I192 HydrophobicContact CD1-CD1 4.33Å; F162-I192 HydrophobicContact CD2-CD1 4.31Å; F162-I192 HydrophobicContact CD2-CG2 4.45Å; F162-I192 HydrophobicContact CE1-CD1 4Å; F162-I192 HydrophobicContact CE1-CG1 4.32Å; F162-I192 HydrophobicContact CE2-CD1 3.99Å; F162-I192 HydrophobicContact CE2-CG1 4.33Å; F162-I192 HydrophobicContact CE2-CG2 3.47Å; F162-I192 VanDerWaalsContact CE2-CG2 3.47Å; F162-I192 HydrophobicContact CG-CD1 4.49Å; F162-I192 HydrophobicContact CZ-CB 4.44Å; F162-I192 HydrophobicContact CZ-CD1 3.82Å; F162-I192 HydrophobicContact CZ-CG1 3.9Å; F162-I192 HydrophobicContact CZ-CG2 3.7Å; L185-I192 HydrophobicContact CD1-CD1 4.08Å; L185-I192 HydrophobicContact CD2-CD1 3.87Å; L185-I192 HydrophobicContact CG-CD1 3.87Å; F189-I192 HydrophobicContact CB-CD1 3.7Å; F189-I192 HydrophobicContact CB-CG1 3.77Å; I192-C256 CarbonylContact O-C 3.57Å; I192-C256 WeakPolarHBondContact O-CA 3.5Å; I192-G257 PolarHBondContact O-N 2.86Å; I192-L259 HydrophobicContact CD1-CD2 4.44Å; I192-L259 HydrophobicContact CG2-CD2 3.87Å |
| 193 | Y | 98.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 106.4 | 167.5 | -53 | -79 | 0 | 0 | 0 | 110.3 | K152 W153 L154 S155 V195 F238 I250 D252 C256 | K152-Y193 HydrophobicContact CB-CE2 4.26Å; K152-Y193 HydrophobicContact CD-CE2 3.69Å; K152-Y193 PolarHBondContact NZ-OH 3Å; W153-Y193 PolarHBondContact O-N 2.87Å; L154-Y193 HydrophobicContact CD2-CD2 3.97Å; S155-Y193 PolarHBondContact N-O 2.98Å; S155-Y193 VanDerWaalsContact N-O 3.12Å; Y193-V195 PolarHBondContact O-N 2.94Å; Y193-F238 HydrophobicContact CD2-CE2 4.26Å; Y193-F238 HydrophobicContact CD2-CZ 4.3Å; Y193-F238 HydrophobicContact CG-CE2 4.08Å; Y193-F238 HydrophobicContact CG-CZ 4.5Å; Y193-I250 HydrophobicContact CD1-CG2 3.78Å; Y193-I250 HydrophobicContact CE1-CB 4.32Å; Y193-I250 HydrophobicContact CE1-CG2 3.59Å; Y193-D252 WeakPolarHBondContact CE1-OD1 3.42Å; Y193-D252 PolarHBondContact OH-OD1 3.05Å; Y193-C256 HydrophobicContact CE1-CB 4.09Å |
| 194 | D | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 108.9 | 172 | -174.7 | -27.6 | 0 | 0 | 0 | 109.4 | H157 S158 K196 Y197 L198 R258 Y260 | H157-D194 PolarHBondContact N-OD1 2.72Å; H157-D194 PolarHBondContact N-OD2 3.03Å; S158-D194 PolarHBondContact N-OD2 3.47Å; S158-D194 VanDerWaalsContact N-OD2 3.15Å; D194-K196 PolarHBondContact O-N 2.91Å; D194-K196 VanDerWaalsContact O-N 3.17Å; D194-K196 WeakPolarHBondContact OD1-CA 3.28Å; D194-K196 WeakPolarHBondContact OD1-CB 3.28Å; D194-K196 PolarHBondContact OD1-N 3.15Å; D194-Y197 WeakPolarHBondContact O-CA 3.24Å; D194-Y197 VanDerWaalsContact O-CB 3.31Å; D194-Y197 WeakPolarHBondContact O-CB 3.14Å; D194-Y197 PolarHBondContact O-N 2.86Å; D194-Y197 PolarHBondContact OD1-N 3.21Å; D194-L198 WeakPolarHBondContact O-CD1 3.46Å; D194-L198 PolarHBondContact O-N 2.83Å; D194-R258 VanDerWaalsContact CB-O 3.31Å; D194-R258 WeakPolarHBondContact CB-O 3.24Å; D194-Y260 WeakPolarHBondContact OD2-CB 3.28Å; D194-Y260 PolarHBondContact OD2-N 3.34Å |
| 195 | V | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -52.1 | -40.1 | 179.4 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | S155 F156 Y193 Y197 L198 M199 T234 F238 M241 | S155-V195 WeakPolarHBondContact O-CB 3.32Å; S155-V195 WeakPolarHBondContact O-CG2 3.28Å; S155-V195 PolarHBondContact O-N 3.42Å; F156-V195 HydrophobicContact CD2-CB 3.85Å; F156-V195 HydrophobicContact CD2-CG1 3.73Å; F156-V195 HydrophobicContact CE2-CG1 4.11Å; Y193-V195 PolarHBondContact O-N 2.94Å; V195-Y197 VanDerWaalsContact C-N 3.25Å; V195-Y197 PolarHBondContact O-N 2.83Å; V195-L198 PolarHBondContact O-N 3.48Å; V195-M199 HydrophobicContact CG1-CG 4.43Å; V195-M199 HydrophobicContact CG1-SD 4.3Å; V195-M199 WeakPolarHBondContact O-CG 3.41Å; V195-M199 PolarHBondContact O-N 3.3Å; V195-T234 HydrophobicContact CG2-CG2 4.47Å; V195-F238 HydrophobicContact CG2-CB 3.81Å; V195-F238 HydrophobicContact CG2-CD2 4.11Å; V195-F238 HydrophobicContact CG2-CG 4.48Å; V195-M241 HydrophobicContact CB-CE 4.32Å; V195-M241 HydrophobicContact CG1-CE 3.85Å; V195-M241 HydrophobicContact CG1-SD 4.22Å; V195-M241 HydrophobicContact CG2-CE 4.29Å |
| 196 | K | 97.9 | Very high | 95.5 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 14% | 0.143 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -32.1 | 178 | -170 | 73.4 | 177.8 | -168.6 | 0 | 112.2 | F156 H157 D194 M199 G207 Y260 | F156-K196 HydrophobicContact CD1-CB 4.49Å; F156-K196 HydrophobicContact CD2-CB 4.44Å; F156-K196 HydrophobicContact CE1-CB 4.45Å; F156-K196 HydrophobicContact CE1-CD 3.81Å; F156-K196 HydrophobicContact CE2-CB 4.4Å; F156-K196 HydrophobicContact CE2-CD 4.17Å; F156-K196 HydrophobicContact CG-CB 4.48Å; F156-K196 HydrophobicContact CZ-CB 4.41Å; F156-K196 HydrophobicContact CZ-CD 3.55Å; H157-K196 HydrophobicContact CB-CB 4.03Å; H157-K196 HydrophobicContact CB-CG 4.03Å; D194-K196 PolarHBondContact O-N 2.91Å; D194-K196 VanDerWaalsContact O-N 3.17Å; D194-K196 WeakPolarHBondContact OD1-CA 3.28Å; D194-K196 WeakPolarHBondContact OD1-CB 3.28Å; D194-K196 PolarHBondContact OD1-N 3.15Å; K196-M199 HydrophobicContact CD-CE 4.27Å; K196-M199 HydrophobicContact CD-SD 4.06Å; K196-G207 PolarHBondContact NZ-O 3.46Å; K196-Y260 HydrophobicContact CB-CD2 4.22Å; K196-Y260 HydrophobicContact CB-CG 4.19Å; K196-Y260 HydrophobicContact CG-CD1 4.08Å; K196-Y260 HydrophobicContact CG-CD2 3.52Å; K196-Y260 HydrophobicContact CG-CE1 4.42Å; K196-Y260 HydrophobicContact CG-CE2 3.9Å; K196-Y260 HydrophobicContact CG-CG 3.61Å |
| 197 | Y | 96.9 | Very high | 95.5 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 20% | 0.2 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.9 | -46.8 | 172.6 | -172.7 | -87.9 | 0 | 0 | 0 | 111.6 | D194 V195 M199 K200 Y255 R258 | D194-Y197 WeakPolarHBondContact O-CA 3.24Å; D194-Y197 VanDerWaalsContact O-CB 3.31Å; D194-Y197 WeakPolarHBondContact O-CB 3.14Å; D194-Y197 PolarHBondContact O-N 2.86Å; D194-Y197 PolarHBondContact OD1-N 3.21Å; V195-Y197 VanDerWaalsContact C-N 3.25Å; V195-Y197 PolarHBondContact O-N 2.83Å; Y197-M199 PolarHBondContact O-N 2.93Å; Y197-K200 HydrophobicContact CD2-CD 4.47Å; Y197-K200 VanDerWaalsContact O-CB 3.31Å; Y197-K200 WeakPolarHBondContact O-CB 3.35Å; Y197-K200 WeakPolarHBondContact O-CG 3.33Å; Y197-K200 PolarHBondContact O-N 3.34Å; Y197-Y255 HydrophobicContact CD1-CD1 4.07Å; Y197-Y255 HydrophobicContact CE1-CD1 4.03Å; Y197-R258 HydrophobicContact CD1-CB 3.65Å; Y197-R258 HydrophobicContact CD1-CG 4.35Å; Y197-R258 HydrophobicContact CD2-CB 3.99Å; Y197-R258 HydrophobicContact CE1-CB 3.59Å; Y197-R258 HydrophobicContact CE1-CG 3.81Å; Y197-R258 HydrophobicContact CE2-CB 3.92Å; Y197-R258 HydrophobicContact CE2-CG 4.48Å; Y197-R258 HydrophobicContact CG-CB 3.86Å |
| 198 | L | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.7 | -39.1 | 177.4 | -84.2 | 77.6 | 0 | 0 | 0 | 111.8 | D194 V195 K200 S201 F238 M241 F246 I250 Y255 | D194-L198 WeakPolarHBondContact O-CD1 3.46Å; D194-L198 PolarHBondContact O-N 2.83Å; V195-L198 PolarHBondContact O-N 3.48Å; L198-K200 PolarHBondContact O-N 2.79Å; L198-S201 PolarHBondContact O-N 3.46Å; L198-F238 HydrophobicContact CD2-CD2 4.42Å; L198-F238 HydrophobicContact CD2-CE2 4.05Å; L198-M241 HydrophobicContact CB-CE 3.5Å; L198-M241 HydrophobicContact CB-SD 4.08Å; L198-M241 HydrophobicContact CD2-CE 3.59Å; L198-M241 HydrophobicContact CG-CE 4.16Å; L198-F246 HydrophobicContact CB-CE2 4.43Å; L198-F246 HydrophobicContact CB-CZ 4.16Å; L198-F246 HydrophobicContact CD2-CE2 4.35Å; L198-F246 HydrophobicContact CD2-CZ 4.35Å; L198-F246 HydrophobicContact CG-CZ 4.42Å; L198-I250 HydrophobicContact CD2-CD1 3.78Å; L198-I250 HydrophobicContact CD2-CG1 4.4Å; L198-I250 HydrophobicContact CD2-CG2 4.39Å; L198-Y255 HydrophobicContact CD1-CD1 4.4Å; L198-Y255 HydrophobicContact CG-CD1 4.03Å; L198-Y255 HydrophobicContact CG-CG 4.23Å |
| 199 | M | 96.4 | Very high | 95.5 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -52.5 | -26.6 | 175.9 | -76.2 | 169.3 | 60.4 | 0 | 0 | 114.2 | F156 V195 K196 Y197 S201 C202 L205 V212 M241 | F156-M199 HydrophobicContact CE2-SD 3.63Å; F156-M199 HydrophobicContact CZ-SD 4.14Å; V195-M199 HydrophobicContact CG1-CG 4.43Å; V195-M199 HydrophobicContact CG1-SD 4.3Å; V195-M199 WeakPolarHBondContact O-CG 3.41Å; V195-M199 PolarHBondContact O-N 3.3Å; K196-M199 HydrophobicContact CD-CE 4.27Å; K196-M199 HydrophobicContact CD-SD 4.06Å; Y197-M199 PolarHBondContact O-N 2.93Å; M199-S201 PolarHBondContact O-N 3.46Å; M199-S201 VanDerWaalsContact O-N 3.13Å; M199-C202 PolarHBondContact O-N 2.97Å; M199-L205 HydrophobicContact CE-CB 4.45Å; M199-L205 HydrophobicContact CE-CD2 4.07Å; M199-L205 HydrophobicContact CG-CB 4.4Å; M199-L205 HydrophobicContact CG-CD2 3.51Å; M199-L205 HydrophobicContact SD-CD2 4Å; M199-V212 HydrophobicContact CE-CG2 3.27Å; M199-V212 HydrophobicContact SD-CG1 4.42Å; M199-V212 HydrophobicContact SD-CG2 3.66Å; M199-M241 HydrophobicContact CG-SD 4.07Å |
| 200 | K | 93.9 | Very high | 95.4 | Very high | 129 Ų | 129 | 45.2 Ų | 45.2 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -60 | -23.9 | 175.6 | -69 | -179.9 | 169.6 | 176.9 | 0 | 113 | Y197 L198 | Y197-K200 HydrophobicContact CD2-CD 4.47Å; Y197-K200 VanDerWaalsContact O-CB 3.31Å; Y197-K200 WeakPolarHBondContact O-CB 3.35Å; Y197-K200 WeakPolarHBondContact O-CG 3.33Å; Y197-K200 PolarHBondContact O-N 3.34Å; L198-K200 PolarHBondContact O-N 2.79Å |
| 201 | S | 93.5 | Very high | 95.4 | Very high | 55 Ų | 55 | 49 Ų | 49 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -95.3 | -5.5 | 176 | -57.4 | 0 | 0 | 0 | 0 | 113.3 | L198 M199 Y255 | L198-S201 PolarHBondContact O-N 3.46Å; M199-S201 PolarHBondContact O-N 3.46Å; M199-S201 VanDerWaalsContact O-N 3.13Å; S201-Y255 WeakPolarHBondContact CB-OH 2.85Å; S201-Y255 PolarHBondContact OG-OH 3.37Å |
| 202 | C | 92.8 | Very high | 95.4 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -96.4 | 117.8 | -180 | -58.1 | 0 | 0 | 0 | 0 | 109.5 | M199 N204 L205 F245 F246 | M199-C202 PolarHBondContact O-N 2.97Å; C202-N204 PolarHBondContact O-N 3.47Å; C202-L205 HydrophobicContact CB-CB 3.92Å; C202-F245 HydrophobicContact CB-CD1 3.88Å; C202-F245 HydrophobicContact CB-CD2 4.39Å; C202-F245 HydrophobicContact CB-CE1 4.14Å; C202-F245 HydrophobicContact CB-CG 4.01Å; C202-F246 VanDerWaalsContact SG-CE2 3.51Å |
| 203 | K | 87.8 | Confident | 95.3 | Very high | 179 Ų | 179 | 48.1 Ų | 48.1 | 78% | 0.778 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 133.3 | 175.6 | -68.4 | -178.5 | -176.9 | 173.7 | 0 | 109.1 | L205 | K203-L205 VanDerWaalsContact C-N 3.26Å; K203-L205 PolarHBondContact O-N 3.38Å |
| 204 | N | 86.4 | Confident | 95.3 | Very high | 147 Ų | 147 | 52.4 Ų | 52.4 | 79% | 0.786 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 0.2 | 175.2 | -50.4 | -34.8 | 0 | 0 | 0 | 117.2 | C202 Q215 | C202-N204 PolarHBondContact O-N 3.47Å; N204-Q215 PolarHBondContact O-OE1 3.16Å; N204-Q215 VanDerWaalsContact O-OE1 3.09Å |
| 205 | L | 91.5 | Very high | 95.2 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | trans | -86.3 | 115.4 | 171.7 | -130.8 | 102.9 | 0 | 0 | 0 | 110.5 | M199 C202 K203 V212 L216 M241 F245 | M199-L205 HydrophobicContact CE-CB 4.45Å; M199-L205 HydrophobicContact CE-CD2 4.07Å; M199-L205 HydrophobicContact CG-CB 4.4Å; M199-L205 HydrophobicContact CG-CD2 3.51Å; M199-L205 HydrophobicContact SD-CD2 4Å; C202-L205 HydrophobicContact CB-CB 3.92Å; K203-L205 VanDerWaalsContact C-N 3.26Å; K203-L205 PolarHBondContact O-N 3.38Å; L205-V212 HydrophobicContact CD2-CB 4.4Å; L205-V212 HydrophobicContact CD2-CG1 3.55Å; L205-V212 HydrophobicContact CD2-CG2 4.12Å; L205-V212 HydrophobicContact CG-CG1 4.49Å; L205-L216 HydrophobicContact CD1-CD2 3.71Å; L205-L216 HydrophobicContact CD1-CG 4.17Å; L205-L216 HydrophobicContact CD2-CD1 4.48Å; L205-M241 HydrophobicContact CD2-SD 4.49Å; L205-F245 HydrophobicContact CD1-CE2 3.67Å; L205-F245 HydrophobicContact CD1-CZ 3.75Å | ||
| 206 | K | 93.2 | Very high | 95 | Very high | 156 Ų | 156 | 56.9 Ų | 56.9 | 68% | 0.678 | 29% | 0.286 | S | S | * | . | trans | -145.6 | 165.6 | -179.8 | -62.5 | -176.4 | -176.6 | 177.6 | 0 | 110.9 | Q215 | K206-Q215 PolarHBondContact O-NE2 2.9Š| ||
| 207 | G | 96.1 | Very high | 95 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 99.2 | -178.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | K196 E211 | K196-G207 PolarHBondContact NZ-O 3.46Å; G207-E211 VanDerWaalsContact C-OE2 3.28Å; G207-E211 WeakPolarHBondContact CA-OE2 3.37Å |
| 208 | G | 97 | Very high | 95 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -69.1 | 174.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q210 E211 V212 | G208-Q210 VanDerWaalsContact C-N 3.3Å; G208-Q210 PolarHBondContact O-N 3.19Å; G208-E211 PolarHBondContact N-OE2 2.89Å; G208-E211 PolarHBondContact O-N 3.38Å; G208-E211 VanDerWaalsContact O-N 3.16Å; G208-V212 WeakPolarHBondContact O-CG2 3.12Å; G208-V212 PolarHBondContact O-N 3.13Å |
| 209 | L | 97.6 | Very high | 95 | Very high | 19 Ų | 19 | 68.4 Ų | 68.4 | 10% | 0.099 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.6 | -44 | -176.5 | 178.1 | 62.2 | 0 | 0 | 0 | 112.2 | F156 V212 A213 D230 L233 T234 A237 | F156-L209 HydrophobicContact CB-CD1 4.34Å; F156-L209 HydrophobicContact CD1-CB 3.98Å; F156-L209 HydrophobicContact CD2-CB 4.42Å; F156-L209 HydrophobicContact CD2-CD1 3.78Å; F156-L209 HydrophobicContact CE1-CB 3.98Å; F156-L209 HydrophobicContact CE2-CB 4.42Å; F156-L209 HydrophobicContact CE2-CD1 4.21Å; F156-L209 HydrophobicContact CG-CB 4.21Å; F156-L209 HydrophobicContact CG-CD1 4.03Å; F156-L209 HydrophobicContact CZ-CB 4.2Å; L209-V212 PolarHBondContact O-N 2.9Å; L209-A213 WeakPolarHBondContact O-CB 3.46Å; L209-A213 PolarHBondContact O-N 3.02Å; L209-D230 HydrophobicContact CD2-CB 4.11Å; L209-L233 HydrophobicContact CD1-CG 4.48Å; L209-L233 HydrophobicContact CD2-CB 4.43Å; L209-L233 HydrophobicContact CD2-CD2 4.42Å; L209-L233 HydrophobicContact CG-CD2 4.1Å; L209-L233 HydrophobicContact CG-CG 4.38Å; L209-T234 WeakPolarHBondContact CD2-OG1 3.34Å; L209-A237 HydrophobicContact CD1-CB 4.48Å |
| 210 | Q | 97.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 69.8 Ų | 69.8 | 20% | 0.201 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 177.8 | -171.9 | 58.7 | 54.9 | 0 | 0 | 112.4 | G208 V212 A213 D214 | G208-Q210 VanDerWaalsContact C-N 3.3Å; G208-Q210 PolarHBondContact O-N 3.19Å; Q210-V212 PolarHBondContact O-N 3.28Å; Q210-A213 WeakPolarHBondContact O-CB 3.49Å; Q210-A213 PolarHBondContact O-N 3.44Å; Q210-D214 PolarHBondContact NE2-OD1 3.15Å; Q210-D214 PolarHBondContact O-N 3.24Å |
| 211 | E | 97.3 | Very high | 95.2 | Very high | 110 Ų | 110 | 65.5 Ų | 65.5 | 51% | 0.514 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63 | -34.2 | 178.6 | -62.2 | 175.5 | 143.4 | 0 | 0 | 111.6 | G207 G208 Q215 | G207-E211 VanDerWaalsContact C-OE2 3.28Å; G207-E211 WeakPolarHBondContact CA-OE2 3.37Å; G208-E211 PolarHBondContact N-OE2 2.89Å; G208-E211 PolarHBondContact O-N 3.38Å; G208-E211 VanDerWaalsContact O-N 3.16Å; E211-Q215 VanDerWaalsContact O-CG 3.32Å; E211-Q215 WeakPolarHBondContact O-CG 3.35Å; E211-Q215 PolarHBondContact O-N 3.46Å; E211-Q215 VanDerWaalsContact O-N 3.12Å; E211-Q215 PolarHBondContact O-NE2 3.31Å |
| 212 | V | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.7 | -43.6 | 174.9 | 165.9 | 0 | 0 | 0 | 0 | 111.2 | F156 M199 L205 G208 L209 Q210 D214 Q215 L216 A237 | F156-V212 HydrophobicContact CE2-CB 4.43Å; F156-V212 HydrophobicContact CE2-CG2 4.14Å; F156-V212 HydrophobicContact CZ-CG2 4.24Å; M199-V212 HydrophobicContact CE-CG2 3.27Å; M199-V212 HydrophobicContact SD-CG1 4.42Å; M199-V212 HydrophobicContact SD-CG2 3.66Å; L205-V212 HydrophobicContact CD2-CB 4.4Å; L205-V212 HydrophobicContact CD2-CG1 3.55Å; L205-V212 HydrophobicContact CD2-CG2 4.12Å; L205-V212 HydrophobicContact CG-CG1 4.49Å; G208-V212 WeakPolarHBondContact O-CG2 3.12Å; G208-V212 PolarHBondContact O-N 3.13Å; L209-V212 PolarHBondContact O-N 2.9Å; Q210-V212 PolarHBondContact O-N 3.28Å; V212-D214 VanDerWaalsContact C-N 3.31Å; V212-D214 PolarHBondContact O-N 3.12Å; V212-Q215 PolarHBondContact O-N 2.95Å; V212-L216 HydrophobicContact CG1-CD1 3.85Å; V212-L216 HydrophobicContact CG1-CG 4.46Å; V212-L216 WeakPolarHBondContact O-CB 3.36Å; V212-L216 WeakPolarHBondContact O-CG 3.36Å; V212-L216 PolarHBondContact O-N 3.29Å; V212-A237 HydrophobicContact CG1-CB 4.46Å |
| 213 | A | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L209 Q210 Q215 L216 D217 L218 L233 | L209-A213 WeakPolarHBondContact O-CB 3.46Å; L209-A213 PolarHBondContact O-N 3.02Å; Q210-A213 WeakPolarHBondContact O-CB 3.49Å; Q210-A213 PolarHBondContact O-N 3.44Å; A213-Q215 VanDerWaalsContact C-N 3.34Å; A213-Q215 PolarHBondContact O-N 3.17Å; A213-L216 CarbonylContact O-C 3.52Å; A213-L216 PolarHBondContact O-N 3.35Å; A213-L216 VanDerWaalsContact O-N 3.13Å; A213-D217 PolarHBondContact O-N 2.69Å; A213-D217 VanDerWaalsContact O-N 3.15Å; A213-L218 HydrophobicContact CB-CB 4.1Å; A213-L218 PolarHBondContact O-N 3Å; A213-L233 HydrophobicContact CB-CD1 3.7Å; A213-L233 HydrophobicContact CB-CD2 3.72Å; A213-L233 HydrophobicContact CB-CG 3.91Å |
| 214 | D | 97.3 | Very high | 95.7 | Very high | 95 Ų | 95 | 67.3 Ų | 67.3 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 177.1 | -60.6 | -18.7 | 0 | 0 | 0 | 111.4 | Q210 V212 L216 D217 | Q210-D214 PolarHBondContact NE2-OD1 3.15Å; Q210-D214 PolarHBondContact O-N 3.24Å; V212-D214 VanDerWaalsContact C-N 3.31Å; V212-D214 PolarHBondContact O-N 3.12Å; D214-L216 VanDerWaalsContact C-N 3.26Å; D214-L216 PolarHBondContact O-N 2.95Å; D214-D217 PolarHBondContact O-N 3.03Å |
| 215 | Q | 96.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 63.5 Ų | 63.5 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.7 | -23.4 | 175.8 | -77.3 | 164.1 | 65.5 | 0 | 0 | 114 | N204 K206 E211 V212 A213 | N204-Q215 PolarHBondContact O-OE1 3.16Å; N204-Q215 VanDerWaalsContact O-OE1 3.09Å; K206-Q215 PolarHBondContact O-NE2 2.9Å; E211-Q215 VanDerWaalsContact O-CG 3.32Å; E211-Q215 WeakPolarHBondContact O-CG 3.35Å; E211-Q215 PolarHBondContact O-N 3.46Å; E211-Q215 VanDerWaalsContact O-N 3.12Å; E211-Q215 PolarHBondContact O-NE2 3.31Å; V212-Q215 PolarHBondContact O-N 2.95Å; A213-Q215 VanDerWaalsContact C-N 3.34Å; A213-Q215 PolarHBondContact O-N 3.17Å |
| 216 | L | 95.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 5.7 | 178.7 | -68.7 | 176.7 | 0 | 0 | 0 | 112.7 | L205 V212 A213 D214 L218 A237 R240 M241 L244 F245 | L205-L216 HydrophobicContact CD1-CD2 3.71Å; L205-L216 HydrophobicContact CD1-CG 4.17Å; L205-L216 HydrophobicContact CD2-CD1 4.48Å; V212-L216 HydrophobicContact CG1-CD1 3.85Å; V212-L216 HydrophobicContact CG1-CG 4.46Å; V212-L216 WeakPolarHBondContact O-CB 3.36Å; V212-L216 WeakPolarHBondContact O-CG 3.36Å; V212-L216 PolarHBondContact O-N 3.29Å; A213-L216 CarbonylContact O-C 3.52Å; A213-L216 PolarHBondContact O-N 3.35Å; A213-L216 VanDerWaalsContact O-N 3.13Å; D214-L216 VanDerWaalsContact C-N 3.26Å; D214-L216 PolarHBondContact O-N 2.95Å; L216-L218 VanDerWaalsContact C-N 3.29Å; L216-L218 HydrophobicContact CB-CD1 3.8Å; L216-L218 HydrophobicContact CB-CG 3.78Å; L216-L218 HydrophobicContact CD1-CD1 4.07Å; L216-L218 PolarHBondContact O-N 3.45Å; L216-A237 HydrophobicContact CD1-CB 4.21Å; L216-R240 HydrophobicContact CB-CG 4.06Å; L216-R240 HydrophobicContact CD2-CG 4.23Å; L216-M241 HydrophobicContact CD1-CB 4.45Å; L216-L244 HydrophobicContact CD2-CD1 3.97Å; L216-F245 HydrophobicContact CD2-CE2 4.12Å |
| 217 | D | 97.1 | Very high | 96.7 | Very high | 147 Ų | 147 | 56.3 Ų | 56.3 | 79% | 0.786 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 40 | -174.9 | -61.8 | -55.2 | 0 | 0 | 0 | 113 | A213 D214 | A213-D217 PolarHBondContact O-N 2.69Å; A213-D217 VanDerWaalsContact O-N 3.15Å; D214-D217 PolarHBondContact O-N 3.03Å |
| 218 | L | 97.1 | Very high | 96.8 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 132.3 | -178.8 | -61.5 | 175.2 | 0 | 0 | 0 | 111.7 | A213 L216 L233 M236 A237 R240 | A213-L218 HydrophobicContact CB-CB 4.1Å; A213-L218 PolarHBondContact O-N 3Å; L216-L218 VanDerWaalsContact C-N 3.29Å; L216-L218 HydrophobicContact CB-CD1 3.8Å; L216-L218 HydrophobicContact CB-CG 3.78Å; L216-L218 HydrophobicContact CD1-CD1 4.07Å; L216-L218 PolarHBondContact O-N 3.45Å; L218-L233 HydrophobicContact CB-CD1 4.27Å; L218-M236 HydrophobicContact CB-CE 4.47Å; L218-M236 HydrophobicContact CD1-CB 4.02Å; L218-M236 HydrophobicContact CD2-CB 4.35Å; L218-M236 HydrophobicContact CD2-CE 4.31Å; L218-A237 HydrophobicContact CD1-CB 4.11Å; L218-R240 HydrophobicContact CD1-CB 4.26Å; L218-R240 HydrophobicContact CD2-CB 4.1Å; L218-R240 HydrophobicContact CD2-CG 4.11Å |
| 219 | Q | 96.7 | Very high | 96.9 | Very high | 151 Ų | 151 | 53.8 Ų | 53.8 | 71% | 0.706 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -94.3 | 120.4 | 175.9 | -174.1 | 179.8 | -11.6 | 0 | 0 | 110.9 | M236 | Q219-M236 WeakPolarHBondContact O-CE 3.31Š|
| 220 | R | 97.3 | Very high | 96.9 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 15% | 0.151 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 140.5 | 173.5 | 177.9 | 179.3 | -68.3 | -87.9 | 9.5 | 112 | S229 D230 L233 | R220-S229 PolarHBondContact NH1-OG 3.39Å; R220-D230 IonicContact CZ-OD1 3.68Å; R220-D230 IonicContact NH1-OD1 2.78Å; R220-D230 PolarHBondContact NH1-OD1 3.04Å; R220-D230 IonicContact NH1-OD2 3.16Å; R220-D230 IonicContact NH2-OD1 3.77Å; R220-D230 PolarHBondContact NH2-OD1 3.28Å; R220-L233 HydrophobicContact CB-CD2 4.45Å |
| 221 | I | 96.2 | Very high | 97 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | trans | -117.5 | 128.5 | 168.9 | -61.3 | 171 | 0 | 0 | 0 | 108.2 | N8 V11 S229 L232 | N8-I221 HydrophobicContact CB-CG2 4.12Å; V11-I221 HydrophobicContact CG2-CG2 3.89Å; I221-S229 WeakPolarHBondContact O-CB 3.45Å; I221-S229 PolarHBondContact O-OG 3.5Å; I221-L232 HydrophobicContact CB-CD2 3.85Å; I221-L232 HydrophobicContact CD1-CD2 4.46Å; I221-L232 HydrophobicContact CG2-CD2 4.18Å | ||
| 222 | G | 95.4 | Very high | 97.1 | Very high | 48 Ų | 48 | 46.2 Ų | 46.2 | 50% | 0.495 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 92.5 | -173.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 223 | R | 94.9 | Very high | 97.1 | Very high | 149 Ų | 149 | 46.2 Ų | 46.2 | 56% | 0.562 | 23% | 0.231 | S | C | * | . | trans | -86.6 | 137.6 | -177.2 | -67.6 | -179.5 | 178.6 | 176.3 | 1.3 | 110.3 | Q226 S229 | R223-Q226 HydrophobicContact CB-CG 4.02Å; R223-S229 WeakPolarHBondContact O-CB 3.42Å; R223-S229 PolarHBondContact O-OG 2.84Å | ||
| 224 | Q | 94.9 | Very high | 97.2 | Very high | 84 Ų | 84 | 46.2 Ų | 46.2 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -67 | 147.7 | 172.8 | -176.2 | -179 | -6.1 | 0 | 0 | 109.9 | Q226 | Q224-Q226 VanDerWaalsContact C-N 3.33Š|
| 225 | H | 95 | Very high | 97.3 | Very high | 67 Ų | 67 | 41.7 Ų | 41.7 | 31% | 0.31 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 62.1 | 42.9 | -176.6 | -58.5 | -61.8 | 0 | 0 | 0 | 111.9 | E42 S119 D230 | E42-H225 VanDerWaalsContact OE1-CA 3.29Å; E42-H225 WeakPolarHBondContact OE1-CA 3.46Å; S119-H225 WeakPolarHBondContact OG-CB 3.11Å; H225-D230 WeakPolarHBondContact CA-OD2 3.38Å; H225-D230 PolarHBondContact N-OD2 3Å |
| 226 | Q | 98.2 | Very high | 97.4 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -139 | 128.4 | 166.1 | -63.8 | -158.2 | 3.4 | 0 | 0 | 107.7 | E42 S119 L121 R223 Q224 G228 S229 D230 | E42-Q226 PolarHBondContact OE1-N 3.24Å; S119-Q226 PolarHBondContact O-NE2 3.39Å; L121-Q226 HydrophobicContact CD1-CG 3.79Å; R223-Q226 HydrophobicContact CB-CG 4.02Å; Q224-Q226 VanDerWaalsContact C-N 3.33Å; Q226-G228 PolarHBondContact O-N 3.08Å; Q226-S229 PolarHBondContact O-N 3.34Å; Q226-D230 PolarHBondContact N-OD2 2.99Å; Q226-D230 PolarHBondContact O-N 3.33Å |
| 227 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.4 | -37.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E42 Q76 G78 S231 | E42-A227 HydrophobicContact CG-CB 4.13Å; Q76-A227 HydrophobicContact CB-CB 3.71Å; G78-A227 WeakPolarHBondContact CA-O 3.42Å; A227-S231 WeakPolarHBondContact O-CB 2.93Å; A227-S231 PolarHBondContact O-N 3.37Å; A227-S231 PolarHBondContact O-OG 3.35Å |
| 228 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -56.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T94 Q226 D230 S231 L232 | T94-G228 VanDerWaalsContact CG2-O 3.29Å; T94-G228 WeakPolarHBondContact CG2-O 3.42Å; Q226-G228 PolarHBondContact O-N 3.08Å; G228-D230 PolarHBondContact O-N 2.82Å; G228-S231 PolarHBondContact O-N 2.92Å; G228-S231 PolarHBondContact O-OG 2.73Å; G228-L232 PolarHBondContact O-N 3.16Å |
| 229 | S | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 179.1 | 163.8 | 0 | 0 | 0 | 0 | 112.7 | R220 I221 R223 Q226 L232 L233 | R220-S229 PolarHBondContact NH1-OG 3.39Å; I221-S229 WeakPolarHBondContact O-CB 3.45Å; I221-S229 PolarHBondContact O-OG 3.5Å; R223-S229 WeakPolarHBondContact O-CB 3.42Å; R223-S229 PolarHBondContact O-OG 2.84Å; Q226-S229 PolarHBondContact O-N 3.34Å; S229-L232 PolarHBondContact O-N 3.22Å; S229-L233 WeakPolarHBondContact O-CB 3.49Å; S229-L233 PolarHBondContact O-N 2.93Å |
| 230 | D | 98.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.043 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.8 | -36.9 | 177.8 | -74.4 | -52.2 | 0 | 0 | 0 | 112.5 | D40 L209 R220 H225 Q226 G228 L232 L233 T234 | D40-D230 HydrophobicContact CB-CB 4.02Å; D40-D230 WeakPolarHBondContact OD2-CB 3.21Å; L209-D230 HydrophobicContact CD2-CB 4.11Å; R220-D230 IonicContact CZ-OD1 3.68Å; R220-D230 IonicContact NH1-OD1 2.78Å; R220-D230 PolarHBondContact NH1-OD1 3.04Å; R220-D230 IonicContact NH1-OD2 3.16Å; R220-D230 IonicContact NH2-OD1 3.77Å; R220-D230 PolarHBondContact NH2-OD1 3.28Å; H225-D230 WeakPolarHBondContact CA-OD2 3.38Å; H225-D230 PolarHBondContact N-OD2 3Å; Q226-D230 PolarHBondContact N-OD2 2.99Å; Q226-D230 PolarHBondContact O-N 3.33Å; G228-D230 PolarHBondContact O-N 2.82Å; D230-L232 VanDerWaalsContact C-N 3.34Å; D230-L232 PolarHBondContact O-N 3.4Å; D230-L233 PolarHBondContact O-N 2.89Å; D230-T234 WeakPolarHBondContact O-CB 3.06Å; D230-T234 PolarHBondContact O-N 2.93Å; D230-T234 PolarHBondContact O-OG1 3.17Å |
| 231 | S | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.1 | -40.1 | 171.6 | 77.4 | 0 | 0 | 0 | 0 | 111.9 | A38 G78 T80 A227 G228 T234 G235 | A38-S231 WeakPolarHBondContact CB-O 3.39Å; G78-S231 WeakPolarHBondContact O-CB 3.22Å; T80-S231 PolarHBondContact OG1-OG 3.16Å; A227-S231 WeakPolarHBondContact O-CB 2.93Å; A227-S231 PolarHBondContact O-N 3.37Å; A227-S231 PolarHBondContact O-OG 3.35Å; G228-S231 PolarHBondContact O-N 2.92Å; G228-S231 PolarHBondContact O-OG 2.73Å; S231-T234 WeakPolarHBondContact O-CB 3.31Å; S231-T234 PolarHBondContact O-N 3.21Å; S231-G235 PolarHBondContact O-N 2.88Å |
| 232 | L | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.9 | -46.7 | 177.6 | 176.4 | 56.9 | 0 | 0 | 0 | 110.8 | V11 T80 Y88 I221 G228 S229 D230 T234 G235 M236 | V11-L232 HydrophobicContact CG2-CD2 4.31Å; T80-L232 HydrophobicContact CG2-CB 4.4Å; T80-L232 HydrophobicContact CG2-CD1 3.66Å; T80-L232 VanDerWaalsContact OG1-CA 3.29Å; T80-L232 WeakPolarHBondContact OG1-CA 3.35Å; T80-L232 PolarHBondContact OG1-N 3.2Å; Y88-L232 HydrophobicContact CE1-CD1 3.64Å; I221-L232 HydrophobicContact CB-CD2 3.85Å; I221-L232 HydrophobicContact CD1-CD2 4.46Å; I221-L232 HydrophobicContact CG2-CD2 4.18Å; G228-L232 PolarHBondContact O-N 3.16Å; S229-L232 PolarHBondContact O-N 3.22Å; D230-L232 VanDerWaalsContact C-N 3.34Å; D230-L232 PolarHBondContact O-N 3.4Å; L232-T234 VanDerWaalsContact C-N 3.28Å; L232-T234 PolarHBondContact O-N 3.19Å; L232-G235 PolarHBondContact O-N 3.19Å; L232-M236 HydrophobicContact CG-SD 4.42Å; L232-M236 WeakPolarHBondContact O-CG 3.15Å; L232-M236 PolarHBondContact O-N 2.86Å |
| 233 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.1 | -34.9 | 177 | -168.5 | 62.1 | 0 | 0 | 0 | 112.2 | L209 A213 L218 R220 S229 D230 M236 A237 | L209-L233 HydrophobicContact CD1-CG 4.48Å; L209-L233 HydrophobicContact CD2-CB 4.43Å; L209-L233 HydrophobicContact CD2-CD2 4.42Å; L209-L233 HydrophobicContact CG-CD2 4.1Å; L209-L233 HydrophobicContact CG-CG 4.38Å; A213-L233 HydrophobicContact CB-CD1 3.7Å; A213-L233 HydrophobicContact CB-CD2 3.72Å; A213-L233 HydrophobicContact CB-CG 3.91Å; L218-L233 HydrophobicContact CB-CD1 4.27Å; R220-L233 HydrophobicContact CB-CD2 4.45Å; S229-L233 WeakPolarHBondContact O-CB 3.49Å; S229-L233 PolarHBondContact O-N 2.93Å; D230-L233 PolarHBondContact O-N 2.89Å; L233-M236 HydrophobicContact CD1-SD 4.3Å; L233-M236 PolarHBondContact O-N 3.15Å; L233-A237 WeakPolarHBondContact O-CB 3.44Å; L233-A237 PolarHBondContact O-N 2.85Å |
| 234 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 173.4 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | A38 F156 V195 L209 D230 S231 L232 A237 F238 | A38-T234 HydrophobicContact CB-CG2 4.45Å; F156-T234 HydrophobicContact CB-CG2 4.2Å; V195-T234 HydrophobicContact CG2-CG2 4.47Å; L209-T234 WeakPolarHBondContact CD2-OG1 3.34Å; D230-T234 WeakPolarHBondContact O-CB 3.06Å; D230-T234 PolarHBondContact O-N 2.93Å; D230-T234 PolarHBondContact O-OG1 3.17Å; S231-T234 WeakPolarHBondContact O-CB 3.31Å; S231-T234 PolarHBondContact O-N 3.21Å; L232-T234 VanDerWaalsContact C-N 3.28Å; L232-T234 PolarHBondContact O-N 3.19Å; T234-A237 PolarHBondContact O-N 3.33Å; T234-F238 PolarHBondContact O-N 3.45Å |
| 235 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | S231 L232 A237 F238 F239 | S231-G235 PolarHBondContact O-N 2.88Å; L232-G235 PolarHBondContact O-N 3.19Å; G235-A237 VanDerWaalsContact C-N 3.34Å; G235-A237 PolarHBondContact O-N 3.32Å; G235-F238 PolarHBondContact O-N 2.91Å; G235-F239 WeakPolarHBondContact O-CD2 3.16Å; G235-F239 PolarHBondContact O-N 2.99Å; G235-F239 VanDerWaalsContact O-N 3.13Å |
| 236 | M | 98.6 | Very high | 97.7 | Very high | 37 Ų | 37 | 23.4 Ų | 23.4 | 18% | 0.182 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.8 | -46.1 | 176.1 | -65.8 | 172.8 | 74.5 | 0 | 0 | 111.7 | Y88 L218 Q219 L232 L233 F238 R240 | Y88-M236 VanDerWaalsContact OH-CG 3.25Å; Y88-M236 WeakPolarHBondContact OH-CG 3.33Å; L218-M236 HydrophobicContact CB-CE 4.47Å; L218-M236 HydrophobicContact CD1-CB 4.02Å; L218-M236 HydrophobicContact CD2-CB 4.35Å; L218-M236 HydrophobicContact CD2-CE 4.31Å; Q219-M236 WeakPolarHBondContact O-CE 3.31Å; L232-M236 HydrophobicContact CG-SD 4.42Å; L232-M236 WeakPolarHBondContact O-CG 3.15Å; L232-M236 PolarHBondContact O-N 2.86Å; L233-M236 HydrophobicContact CD1-SD 4.3Å; L233-M236 PolarHBondContact O-N 3.15Å; M236-F238 PolarHBondContact O-N 3.41Å; M236-R240 VanDerWaalsContact O-CB 3.29Å; M236-R240 WeakPolarHBondContact O-CB 3.45Å; M236-R240 PolarHBondContact O-N 2.85Å |
| 237 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L209 V212 L216 L218 L233 T234 G235 M241 | L209-A237 HydrophobicContact CD1-CB 4.48Å; V212-A237 HydrophobicContact CG1-CB 4.46Å; L216-A237 HydrophobicContact CD1-CB 4.21Å; L218-A237 HydrophobicContact CD1-CB 4.11Å; L233-A237 WeakPolarHBondContact O-CB 3.44Å; L233-A237 PolarHBondContact O-N 2.85Å; T234-A237 PolarHBondContact O-N 3.33Å; G235-A237 VanDerWaalsContact C-N 3.34Å; G235-A237 PolarHBondContact O-N 3.32Å; A237-M241 WeakPolarHBondContact O-CB 3.38Å; A237-M241 PolarHBondContact O-N 3.16Å |
| 238 | F | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.3 | -55 | 177.4 | 175.8 | -94.5 | 0 | 0 | 0 | 112 | Y36 L154 Y193 V195 L198 T234 G235 M236 R240 M241 K242 I250 | Y36-F238 HydrophobicContact CD1-CE1 4.33Å; Y36-F238 HydrophobicContact CE1-CE1 4.21Å; L154-F238 HydrophobicContact CB-CG 4.48Å; L154-F238 HydrophobicContact CD1-CB 4.04Å; L154-F238 HydrophobicContact CD1-CD1 3.57Å; L154-F238 HydrophobicContact CD1-CE1 4.19Å; L154-F238 HydrophobicContact CD1-CG 3.84Å; L154-F238 HydrophobicContact CD2-CD1 3.76Å; L154-F238 HydrophobicContact CD2-CD2 3.82Å; L154-F238 HydrophobicContact CD2-CE1 3.71Å; L154-F238 HydrophobicContact CD2-CE2 3.77Å; L154-F238 HydrophobicContact CD2-CG 3.81Å; L154-F238 HydrophobicContact CD2-CZ 3.71Å; L154-F238 HydrophobicContact CG-CD1 4.26Å; L154-F238 HydrophobicContact CG-CG 4.26Å; Y193-F238 HydrophobicContact CD2-CE2 4.26Å; Y193-F238 HydrophobicContact CD2-CZ 4.3Å; Y193-F238 HydrophobicContact CG-CE2 4.08Å; Y193-F238 HydrophobicContact CG-CZ 4.5Å; V195-F238 HydrophobicContact CG2-CB 3.81Å; V195-F238 HydrophobicContact CG2-CD2 4.11Å; V195-F238 HydrophobicContact CG2-CG 4.48Å; L198-F238 HydrophobicContact CD2-CD2 4.42Å; L198-F238 HydrophobicContact CD2-CE2 4.05Å; T234-F238 PolarHBondContact O-N 3.45Å; G235-F238 PolarHBondContact O-N 2.91Å; M236-F238 PolarHBondContact O-N 3.41Å; F238-R240 PolarHBondContact O-N 3.23Å; F238-M241 PolarHBondContact O-N 3.33Å; F238-K242 HydrophobicContact CE1-CD 4Å; F238-K242 HydrophobicContact CZ-CD 4.34Å; F238-K242 VanDerWaalsContact O-CB 3.26Å; F238-K242 WeakPolarHBondContact O-CB 3.49Å; F238-K242 PolarHBondContact O-N 2.81Å; F238-I250 HydrophobicContact CE2-CG1 4.36Å; F238-I250 HydrophobicContact CZ-CG1 4.1Å |
| 239 | F | 98.4 | Very high | 97 | Very high | 28 Ų | 28 | 40.6 Ų | 40.6 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | -176.2 | -77.8 | -74.5 | 0 | 0 | 0 | 112.1 | Y36 T82 N83 E84 G86 L154 G235 M241 K242 E243 | Y36-F239 HydrophobicContact CD1-CE1 4.4Å; Y36-F239 AromaticContact CD1-CZ 3.74Å; Y36-F239 HydrophobicContact CD1-CZ 3.74Å; Y36-F239 HydrophobicContact CE1-CZ 4.4Å; Y36-F239 HydrophobicContact CG-CZ 4.06Å; T82-F239 HydrophobicContact CG2-CE2 4.24Å; T82-F239 VanDerWaalsContact OG1-CE2 3.29Å; T82-F239 WeakPolarHBondContact OG1-CE2 3.46Å; N83-F239 VanDerWaalsContact O-CZ 3.32Å; N83-F239 WeakPolarHBondContact O-CZ 3.44Å; E84-F239 WeakPolarHBondContact O-CE1 3.26Å; G86-F239 VanDerWaalsContact CA-CE1 3.48Å; G86-F239 VanDerWaalsContact CA-CZ 3.45Å; L154-F239 HydrophobicContact CD1-CE2 3.92Å; L154-F239 HydrophobicContact CD1-CZ 4.49Å; G235-F239 WeakPolarHBondContact O-CD2 3.16Å; G235-F239 PolarHBondContact O-N 2.99Å; G235-F239 VanDerWaalsContact O-N 3.13Å; F239-M241 VanDerWaalsContact C-N 3.35Å; F239-M241 PolarHBondContact O-N 3.07Å; F239-K242 HydrophobicContact CD1-CD 4.49Å; F239-K242 PolarHBondContact O-N 3.2Å; F239-E243 PolarHBondContact O-N 2.96Å |
| 240 | R | 97.7 | Very high | 96.9 | Very high | 81 Ų | 81 | 41.6 Ų | 41.6 | 31% | 0.306 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 176.5 | -173.8 | 56.4 | 172.9 | 160.6 | 2.8 | 112.3 | L216 L218 M236 F238 E243 L244 | L216-R240 HydrophobicContact CB-CG 4.06Å; L216-R240 HydrophobicContact CD2-CG 4.23Å; L218-R240 HydrophobicContact CD1-CB 4.26Å; L218-R240 HydrophobicContact CD2-CB 4.1Å; L218-R240 HydrophobicContact CD2-CG 4.11Å; M236-R240 VanDerWaalsContact O-CB 3.29Å; M236-R240 WeakPolarHBondContact O-CB 3.45Å; M236-R240 PolarHBondContact O-N 2.85Å; F238-R240 PolarHBondContact O-N 3.23Å; R240-E243 IonicContact CZ-OE2 2.72Å; R240-E243 IonicContact NH1-OE1 3.67Å; R240-E243 PolarHBondContact NH1-OE1 3.32Å; R240-E243 IonicContact NH1-OE2 3.21Å; R240-E243 PolarHBondContact NH1-OE2 3.27Å; R240-L244 HydrophobicContact CG-CD1 4.14Å; R240-L244 WeakPolarHBondContact O-CB 3.39Å; R240-L244 WeakPolarHBondContact O-CG 3.34Å; R240-L244 PolarHBondContact O-N 3.33Å; R240-L244 VanDerWaalsContact O-N 3.15Å |
| 241 | M | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.2 | -41.4 | 175.9 | -179.6 | -176.4 | 60.3 | 0 | 0 | 111.5 | V195 L198 M199 L205 L216 A237 F238 F239 E243 L244 F245 F246 | V195-M241 HydrophobicContact CB-CE 4.32Å; V195-M241 HydrophobicContact CG1-CE 3.85Å; V195-M241 HydrophobicContact CG1-SD 4.22Å; V195-M241 HydrophobicContact CG2-CE 4.29Å; L198-M241 HydrophobicContact CB-CE 3.5Å; L198-M241 HydrophobicContact CB-SD 4.08Å; L198-M241 HydrophobicContact CD2-CE 3.59Å; L198-M241 HydrophobicContact CG-CE 4.16Å; M199-M241 HydrophobicContact CG-SD 4.07Å; L205-M241 HydrophobicContact CD2-SD 4.49Å; L216-M241 HydrophobicContact CD1-CB 4.45Å; A237-M241 WeakPolarHBondContact O-CB 3.38Å; A237-M241 PolarHBondContact O-N 3.16Å; F238-M241 PolarHBondContact O-N 3.33Å; F239-M241 VanDerWaalsContact C-N 3.35Å; F239-M241 PolarHBondContact O-N 3.07Å; M241-E243 VanDerWaalsContact C-N 3.34Å; M241-E243 PolarHBondContact O-N 2.8Å; M241-L244 PolarHBondContact O-N 3.19Å; M241-F245 HydrophobicContact CG-CD2 3.94Å; M241-F245 PolarHBondContact O-N 2.82Å; M241-F246 HydrophobicContact CE-CE2 4.37Å; M241-F246 HydrophobicContact CG-CD2 4.29Å; M241-F246 HydrophobicContact CG-CE2 3.89Å; M241-F246 HydrophobicContact SD-CE2 4.19Å |
| 242 | K | 96.5 | Very high | 96.6 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 10% | 0.096 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.8 | -45 | 176.5 | 178.5 | -174 | 166 | -168.5 | 0 | 111.3 | F238 F239 F246 E247 D248 I250 | F238-K242 HydrophobicContact CE1-CD 4Å; F238-K242 HydrophobicContact CZ-CD 4.34Å; F238-K242 VanDerWaalsContact O-CB 3.26Å; F238-K242 WeakPolarHBondContact O-CB 3.49Å; F238-K242 PolarHBondContact O-N 2.81Å; F239-K242 HydrophobicContact CD1-CD 4.49Å; F239-K242 PolarHBondContact O-N 3.2Å; K242-F246 CarbonylContact O-C 3.41Å; K242-F246 WeakPolarHBondContact O-CA 3.45Å; K242-F246 WeakPolarHBondContact O-CB 3.49Å; K242-F246 PolarHBondContact O-N 3.06Å; K242-E247 PolarHBondContact O-N 2.87Å; K242-D248 WeakPolarHBondContact CE-O 3.36Å; K242-D248 PolarHBondContact NZ-O 2.81Å; K242-D248 PolarHBondContact O-N 3.09Å; K242-I250 HydrophobicContact CB-CD1 4.38Å; K242-I250 HydrophobicContact CD-CG1 4.44Å; K242-I250 HydrophobicContact CG-CD1 4.15Å; K242-I250 HydrophobicContact CG-CG1 4.19Å |
| 243 | E | 95.9 | Very high | 96.3 | Very high | 97 Ų | 97 | 51.7 Ų | 51.7 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -51.9 | 175.1 | -175.9 | -165.8 | 170.4 | 0 | 0 | 111.6 | F239 R240 M241 | F239-E243 PolarHBondContact O-N 2.96Å; R240-E243 IonicContact CZ-OE2 2.72Å; R240-E243 IonicContact NH1-OE1 3.67Å; R240-E243 PolarHBondContact NH1-OE1 3.32Å; R240-E243 IonicContact NH1-OE2 3.21Å; R240-E243 PolarHBondContact NH1-OE2 3.27Å; M241-E243 VanDerWaalsContact C-N 3.34Å; M241-E243 PolarHBondContact O-N 2.8Å |
| 244 | L | 95.3 | Very high | 96.1 | Very high | 86 Ų | 86 | 56.5 Ų | 56.5 | 45% | 0.45 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -77.4 | -33.6 | -169.6 | -70.9 | 176.8 | 0 | 0 | 0 | 114.9 | L216 R240 M241 | L216-L244 HydrophobicContact CD2-CD1 3.97Å; R240-L244 HydrophobicContact CG-CD1 4.14Å; R240-L244 WeakPolarHBondContact O-CB 3.39Å; R240-L244 WeakPolarHBondContact O-CG 3.34Å; R240-L244 PolarHBondContact O-N 3.33Å; R240-L244 VanDerWaalsContact O-N 3.15Å; M241-L244 PolarHBondContact O-N 3.19Å |
| 245 | F | 95.6 | Very high | 96 | Very high | 83 Ų | 83 | 57 Ų | 57 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -117.6 | -11.9 | -169 | -62.7 | -84.4 | 0 | 0 | 0 | 114 | C202 L205 L216 M241 | C202-F245 HydrophobicContact CB-CD1 3.88Å; C202-F245 HydrophobicContact CB-CD2 4.39Å; C202-F245 HydrophobicContact CB-CE1 4.14Å; C202-F245 HydrophobicContact CB-CG 4.01Å; L205-F245 HydrophobicContact CD1-CE2 3.67Å; L205-F245 HydrophobicContact CD1-CZ 3.75Å; L216-F245 HydrophobicContact CD2-CE2 4.12Å; M241-F245 HydrophobicContact CG-CD2 3.94Å; M241-F245 PolarHBondContact O-N 2.82Å |
| 246 | F | 94.8 | Very high | 95.9 | Very high | 25 Ų | 25 | 57.3 Ų | 57.3 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -130.8 | 11.5 | -171 | -62.9 | -86.5 | 0 | 0 | 0 | 114 | L198 C202 M241 K242 D248 T249 I250 Y255 | L198-F246 HydrophobicContact CB-CE2 4.43Å; L198-F246 HydrophobicContact CB-CZ 4.16Å; L198-F246 HydrophobicContact CD2-CE2 4.35Å; L198-F246 HydrophobicContact CD2-CZ 4.35Å; L198-F246 HydrophobicContact CG-CZ 4.42Å; C202-F246 VanDerWaalsContact SG-CE2 3.51Å; M241-F246 HydrophobicContact CE-CE2 4.37Å; M241-F246 HydrophobicContact CG-CD2 4.29Å; M241-F246 HydrophobicContact CG-CE2 3.89Å; M241-F246 HydrophobicContact SD-CE2 4.19Å; K242-F246 CarbonylContact O-C 3.41Å; K242-F246 WeakPolarHBondContact O-CA 3.45Å; K242-F246 WeakPolarHBondContact O-CB 3.49Å; K242-F246 PolarHBondContact O-N 3.06Å; F246-D248 PolarHBondContact O-N 2.87Å; F246-D248 VanDerWaalsContact O-N 3.16Å; F246-T249 CarbonylContact O-C 3.59Å; F246-T249 PolarHBondContact O-N 2.96Å; F246-I250 HydrophobicContact CB-CD1 3.65Å; F246-I250 HydrophobicContact CD1-CD1 3.77Å; F246-I250 HydrophobicContact CD2-CD1 3.78Å; F246-I250 HydrophobicContact CE1-CD1 4.34Å; F246-I250 HydrophobicContact CE2-CD1 4.35Å; F246-I250 HydrophobicContact CG-CD1 3.46Å; F246-I250 VanDerWaalsContact CG-CD1 3.46Å; F246-Y255 HydrophobicContact CD1-CE2 4.36Å; F246-Y255 HydrophobicContact CE1-CE1 4.43Å; F246-Y255 AromaticContact CE1-CE2 3.74Å; F246-Y255 HydrophobicContact CE1-CE2 3.74Å; F246-Y255 AromaticContact CE1-CZ 3.68Å |
| 247 | E | 94 | Very high | 95.7 | Very high | 176 Ų | 176 | 56.1 Ų | 56.1 | 82% | 0.822 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42.5 | 176.5 | -57.4 | 176.7 | -164.8 | 0 | 0 | 112.1 | K242 T249 | K242-E247 PolarHBondContact O-N 2.87Å; E247-T249 PolarHBondContact O-N 2.8Å; E247-T249 VanDerWaalsContact O-N 3.08Å; E247-T249 PolarHBondContact O-OG1 3.35Å |
| 248 | D | 92.9 | Very high | 95.5 | Very high | 100 Ų | 100 | 58.4 Ų | 58.4 | 54% | 0.535 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 15.2 | -177.4 | -67.3 | -54.1 | 0 | 0 | 0 | 115.8 | K242 F246 | K242-D248 WeakPolarHBondContact CE-O 3.36Å; K242-D248 PolarHBondContact NZ-O 2.81Å; K242-D248 PolarHBondContact O-N 3.09Å; F246-D248 PolarHBondContact O-N 2.87Å; F246-D248 VanDerWaalsContact O-N 3.16Å |
| 249 | T | 93.2 | Very high | 95.4 | Very high | 102 Ų | 102 | 58.4 Ų | 58.4 | 63% | 0.626 | 30% | 0.297 | S | S | * | . | trans | -137.1 | 122 | -177.1 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | F246 E247 | F246-T249 CarbonylContact O-C 3.59Å; F246-T249 PolarHBondContact O-N 2.96Å; E247-T249 PolarHBondContact O-N 2.8Å; E247-T249 VanDerWaalsContact O-N 3.08Å; E247-T249 PolarHBondContact O-OG1 3.35Å | ||
| 250 | I | 95.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 60.7 Ų | 60.7 | 11% | 0.108 | 31% | 0.306 | C | S | . | . | trans | -97.9 | 132.7 | 174.6 | -57 | -59 | 0 | 0 | 0 | 109.7 | Y193 L198 F238 K242 F246 D252 Y255 | Y193-I250 HydrophobicContact CD1-CG2 3.78Å; Y193-I250 HydrophobicContact CE1-CB 4.32Å; Y193-I250 HydrophobicContact CE1-CG2 3.59Å; L198-I250 HydrophobicContact CD2-CD1 3.78Å; L198-I250 HydrophobicContact CD2-CG1 4.4Å; L198-I250 HydrophobicContact CD2-CG2 4.39Å; F238-I250 HydrophobicContact CE2-CG1 4.36Å; F238-I250 HydrophobicContact CZ-CG1 4.1Å; K242-I250 HydrophobicContact CB-CD1 4.38Å; K242-I250 HydrophobicContact CD-CG1 4.44Å; K242-I250 HydrophobicContact CG-CD1 4.15Å; K242-I250 HydrophobicContact CG-CG1 4.19Å; F246-I250 HydrophobicContact CB-CD1 3.65Å; F246-I250 HydrophobicContact CD1-CD1 3.77Å; F246-I250 HydrophobicContact CD2-CD1 3.78Å; F246-I250 HydrophobicContact CE1-CD1 4.34Å; F246-I250 HydrophobicContact CE2-CD1 4.35Å; F246-I250 HydrophobicContact CG-CD1 3.46Å; F246-I250 VanDerWaalsContact CG-CD1 3.46Å; I250-D252 PolarHBondContact O-N 3.11Å; I250-Y255 HydrophobicContact CG2-CD2 3.77Å; I250-Y255 HydrophobicContact CG2-CG 4.17Å | ||
| 251 | D | 95.4 | Very high | 95 | Very high | 86 Ų | 86 | 58.5 Ų | 58.5 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | trans | -78.7 | 104.7 | 173.9 | 176.5 | 6.7 | 0 | 0 | 0 | 111 | A253 K254 Y255 | D251-A253 VanDerWaalsContact C-N 3.31Å; D251-A253 PolarHBondContact O-N 3.36Å; D251-A253 WeakPolarHBondContact OD1-CB 3.46Å; D251-A253 PolarHBondContact OD1-N 3.4Å; D251-A253 VanDerWaalsContact OD1-N 3.11Å; D251-K254 HydrophobicContact CB-CB 4.16Å; D251-K254 PolarHBondContact O-N 3.1Å; D251-K254 VanDerWaalsContact O-N 3.14Å; D251-K254 WeakPolarHBondContact OD2-CB 3.37Å; D251-Y255 HydrophobicContact CB-CD2 4.18Å; D251-Y255 HydrophobicContact CB-CE2 4.26Å; D251-Y255 VanDerWaalsContact O-CD2 3.24Å; D251-Y255 WeakPolarHBondContact O-CD2 3.5Å; D251-Y255 PolarHBondContact O-N 2.82Å | ||
| 252 | D | 94.9 | Very high | 94.6 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 35% | 0.353 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.1 | -40.3 | -178.2 | -72.8 | -6 | 0 | 0 | 0 | 112.6 | Y193 I250 K254 Y255 C256 | Y193-D252 WeakPolarHBondContact CE1-OD1 3.42Å; Y193-D252 PolarHBondContact OH-OD1 3.05Å; I250-D252 PolarHBondContact O-N 3.11Å; D252-K254 PolarHBondContact O-N 3.45Å; D252-K254 VanDerWaalsContact O-N 3.11Å; D252-Y255 PolarHBondContact O-N 3.14Å; D252-C256 HydrophobicContact CB-CB 4.06Å; D252-C256 WeakPolarHBondContact O-CB 3.43Å; D252-C256 PolarHBondContact O-N 3.17Å |
| 253 | A | 93.3 | Very high | 93.6 | Very high | 73 Ų | 73 | 58 Ų | 58 | 60% | 0.603 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.7 | -25.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D251 | D251-A253 VanDerWaalsContact C-N 3.31Å; D251-A253 PolarHBondContact O-N 3.36Å; D251-A253 WeakPolarHBondContact OD1-CB 3.46Å; D251-A253 PolarHBondContact OD1-N 3.4Å; D251-A253 VanDerWaalsContact OD1-N 3.11Å |
| 254 | K | 94.1 | Very high | 92.1 | Very high | 102 Ų | 102 | 57.7 Ų | 57.7 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -94.4 | -38.4 | -179 | -172.9 | 172.5 | 176.6 | -166.3 | 0 | 113.2 | D251 D252 | D251-K254 HydrophobicContact CB-CB 4.16Å; D251-K254 PolarHBondContact O-N 3.1Å; D251-K254 VanDerWaalsContact O-N 3.14Å; D251-K254 WeakPolarHBondContact OD2-CB 3.37Å; D252-K254 PolarHBondContact O-N 3.45Å; D252-K254 VanDerWaalsContact O-N 3.11Å |
| 255 | Y | 96.1 | Very high | 89.9 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -115.3 | -26.3 | -166.4 | -59.7 | -68 | 0 | 0 | 0 | 114.7 | Y197 L198 S201 F246 I250 D251 D252 G257 R258 | Y197-Y255 HydrophobicContact CD1-CD1 4.07Å; Y197-Y255 HydrophobicContact CE1-CD1 4.03Å; L198-Y255 HydrophobicContact CD1-CD1 4.4Å; L198-Y255 HydrophobicContact CG-CD1 4.03Å; L198-Y255 HydrophobicContact CG-CG 4.23Å; S201-Y255 WeakPolarHBondContact CB-OH 2.85Å; S201-Y255 PolarHBondContact OG-OH 3.37Å; F246-Y255 HydrophobicContact CD1-CE2 4.36Å; F246-Y255 HydrophobicContact CE1-CE1 4.43Å; F246-Y255 AromaticContact CE1-CE2 3.74Å; F246-Y255 HydrophobicContact CE1-CE2 3.74Å; F246-Y255 AromaticContact CE1-CZ 3.68Å; I250-Y255 HydrophobicContact CG2-CD2 3.77Å; I250-Y255 HydrophobicContact CG2-CG 4.17Å; D251-Y255 HydrophobicContact CB-CD2 4.18Å; D251-Y255 HydrophobicContact CB-CE2 4.26Å; D251-Y255 VanDerWaalsContact O-CD2 3.24Å; D251-Y255 WeakPolarHBondContact O-CD2 3.5Å; D251-Y255 PolarHBondContact O-N 2.82Å; D252-Y255 PolarHBondContact O-N 3.14Å; Y255-G257 PolarHBondContact O-N 3.11Å; Y255-R258 WeakPolarHBondContact O-CB 3.32Å; Y255-R258 PolarHBondContact O-N 2.99Å |
| 256 | C | 96.8 | Very high | 87.6 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 134.2 | -175.5 | -170.7 | 0 | 0 | 0 | 0 | 111.3 | I192 Y193 D252 R258 | I192-C256 CarbonylContact O-C 3.57Å; I192-C256 WeakPolarHBondContact O-CA 3.5Å; Y193-C256 HydrophobicContact CE1-CB 4.09Å; D252-C256 HydrophobicContact CB-CB 4.06Å; D252-C256 WeakPolarHBondContact O-CB 3.43Å; D252-C256 PolarHBondContact O-N 3.17Å; C256-R258 PolarHBondContact O-N 2.8Å |
| 257 | G | 95.6 | Very high | 84.9 | Confident | 11 Ų | 11 | 59 Ų | 59 | 11% | 0.113 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 10 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I192 Y255 | I192-G257 PolarHBondContact O-N 2.86Å; Y255-G257 PolarHBondContact O-N 3.11Å |
| 258 | R | 94.8 | Very high | 82.5 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 19% | 0.185 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -94.8 | 109.2 | -180 | -59 | -60.6 | -176.1 | -170.8 | -9.7 | 110.9 | D194 Y197 Y255 C256 G263 V266 | D194-R258 VanDerWaalsContact CB-O 3.31Å; D194-R258 WeakPolarHBondContact CB-O 3.24Å; Y197-R258 HydrophobicContact CD1-CB 3.65Å; Y197-R258 HydrophobicContact CD1-CG 4.35Å; Y197-R258 HydrophobicContact CD2-CB 3.99Å; Y197-R258 HydrophobicContact CE1-CB 3.59Å; Y197-R258 HydrophobicContact CE1-CG 3.81Å; Y197-R258 HydrophobicContact CE2-CB 3.92Å; Y197-R258 HydrophobicContact CE2-CG 4.48Å; Y197-R258 HydrophobicContact CG-CB 3.86Å; Y255-R258 WeakPolarHBondContact O-CB 3.32Å; Y255-R258 PolarHBondContact O-N 2.99Å; C256-R258 PolarHBondContact O-N 2.8Å; R258-G263 PolarHBondContact NH1-O 2.78Å; R258-V266 VanDerWaalsContact CZ-O 3.3Å; R258-V266 PolarHBondContact NH1-O 2.92Å; R258-V266 PolarHBondContact NH2-O 3.13Å |
| 259 | L | 96.4 | Very high | 79.9 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | trans | -88.4 | 138.1 | 172.5 | -56 | -172.2 | 0 | 0 | 0 | 110.7 | F162 F181 F182 L185 I192 G261 L262 | F162-L259 HydrophobicContact CB-CD1 4.42Å; F162-L259 HydrophobicContact CD2-CD1 4.3Å; F162-L259 HydrophobicContact CD2-CD2 3.74Å; F162-L259 HydrophobicContact CE2-CD2 4Å; F181-L259 HydrophobicContact CE1-CD1 4.36Å; F182-L259 HydrophobicContact CE1-CD1 4.19Å; F182-L259 HydrophobicContact CE1-CG 4.07Å; F182-L259 HydrophobicContact CZ-CB 4.4Å; F182-L259 HydrophobicContact CZ-CD1 4.23Å; F182-L259 HydrophobicContact CZ-CG 4.29Å; L185-L259 HydrophobicContact CD2-CD1 3.79Å; L185-L259 HydrophobicContact CD2-CG 4.36Å; I192-L259 HydrophobicContact CD1-CD2 4.44Å; I192-L259 HydrophobicContact CG2-CD2 3.87Å; L259-G261 PolarHBondContact O-N 3.37Å; L259-L262 HydrophobicContact CB-CB 4.33Å; L259-L262 HydrophobicContact CD1-CD1 4.4Å; L259-L262 PolarHBondContact O-N 3.27Å; L259-L262 VanDerWaalsContact O-O 3.09Å | ||
| 260 | Y | 94.8 | Very high | 77.2 | Confident | 77 Ų | 77 | 64 Ų | 64 | 30% | 0.302 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 125.2 | 176.3 | -177 | -84.4 | 0 | 0 | 0 | 110.7 | H157 D194 K196 | H157-Y260 AromaticContact CD2-CD1 3.35Å; H157-Y260 WeakPolarHBondContact CD2-CD1 3.38Å; H157-Y260 AromaticContact NE2-CD1 3.47Å; H157-Y260 WeakPolarHBondContact NE2-CD1 3.19Å; H157-Y260 AromaticContact NE2-CE1 3.79Å; D194-Y260 WeakPolarHBondContact OD2-CB 3.28Å; D194-Y260 PolarHBondContact OD2-N 3.34Å; K196-Y260 HydrophobicContact CB-CD2 4.22Å; K196-Y260 HydrophobicContact CB-CG 4.19Å; K196-Y260 HydrophobicContact CG-CD1 4.08Å; K196-Y260 HydrophobicContact CG-CD2 3.52Å; K196-Y260 HydrophobicContact CG-CE1 4.42Å; K196-Y260 HydrophobicContact CG-CE2 3.9Å; K196-Y260 HydrophobicContact CG-CG 3.61Å |
| 261 | G | 91.4 | Very high | 74.4 | Confident | 34 Ų | 34 | 70.5 Ų | 70.5 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L259 | L259-G261 PolarHBondContact O-N 3.37Š|
| 262 | L | 89.9 | Confident | 71.5 | Confident | 9 Ų | 9 | 74.6 Ų | 74.6 | 5% | 0.047 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -131.2 | 164 | -178.6 | -59.8 | 174.3 | 0 | 0 | 0 | 111.4 | Q61 L65 E178 F182 L259 T264 | Q61-L262 HydrophobicContact CB-CD2 4.1Å; L65-L262 HydrophobicContact CD1-CD1 3.72Å; E178-L262 WeakPolarHBondContact OE1-CA 3.5Å; E178-L262 WeakPolarHBondContact OE1-CB 3.49Å; F182-L262 HydrophobicContact CE2-CB 3.98Å; F182-L262 HydrophobicContact CZ-CB 3.77Å; L259-L262 HydrophobicContact CB-CB 4.33Å; L259-L262 HydrophobicContact CD1-CD1 4.4Å; L259-L262 PolarHBondContact O-N 3.27Å; L259-L262 VanDerWaalsContact O-O 3.09Å; L262-T264 PolarHBondContact O-N 2.79Å |
| 263 | G | 74.9 | Confident | 68.8 | Low | 4 Ų | 4 | 79.5 Ų | 79.5 | 4% | 0.041 | 44% | 0.443 | C | S | . | . | trans | 72.1 | 19.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | E178 R258 G265 | E178-G263 PolarHBondContact OE1-N 3.3Å; R258-G263 PolarHBondContact NH1-O 2.78Å; G263-G265 PolarHBondContact O-N 2.94Å | ||
| 264 | T | 64 | Low | 66.5 | Low | 90 Ų | 90 | 80.8 Ų | 80.8 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 5.3 | -178.2 | 60.4 | 0 | 0 | 0 | 0 | 114.9 | I58 L262 | I58-T264 WeakPolarHBondContact CD1-OG1 3.44Å; L262-T264 PolarHBondContact O-N 2.79Å |
| 265 | G | 50.1 | Low | 64.3 | Low | 74 Ų | 74 | 81 Ų | 81 | 76% | 0.763 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -10.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | G263 A267 | G263-G265 PolarHBondContact O-N 2.94Å; G265-A267 PolarHBondContact O-N 3.03Å |
| 266 | V | 46.6 | Very low | 62.4 | Low | 66 Ų | 66 | 83.6 Ų | 83.6 | 40% | 0.4 | 47% | 0.468 | S | S | . | . | trans | -96.9 | 93.7 | -177.3 | -166.5 | 0 | 0 | 0 | 0 | 108.7 | R258 Q268 | R258-V266 VanDerWaalsContact CZ-O 3.3Å; R258-V266 PolarHBondContact NH1-O 2.92Å; R258-V266 PolarHBondContact NH2-O 3.13Å; V266-Q268 PolarHBondContact O-N 3.06Å | ||
| 267 | A | 38.7 | Very low | 60.3 | Low | 80 Ų | 80 | 85.8 Ų | 85.8 | 66% | 0.661 | 49% | 0.487 | S | S | * | . | trans | -61.2 | 127.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | G265 K269 | G265-A267 PolarHBondContact O-N 3.03Å; A267-K269 PolarHBondContact O-N 3.29Å | ||
| 268 | Q | 43.8 | Very low | 57.9 | Low | 102 Ų | 102 | 92.1 Ų | 92.1 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | trans | -55.8 | 113.6 | 166.9 | -81.7 | 177.7 | -28.7 | 0 | 0 | 106 | V266 Q270 | V266-Q268 PolarHBondContact O-N 3.06Å; Q268-Q270 PolarHBondContact O-N 2.9Å | ||
| 269 | K | 38.4 | Very low | 56.1 | Low | 199 Ų | 199 | 94 Ų | 94 | 87% | 0.865 | 53% | 0.525 | S | S | * | . | trans | -58.6 | 126.7 | 163.5 | -83.4 | -176.9 | 174.8 | -179.2 | 0 | 105.3 | A267 N271 | A267-K269 PolarHBondContact O-N 3.29Å; K269-N271 PolarHBondContact O-N 3.27Å | ||
| 270 | Q | 36.2 | Very low | 54.2 | Low | 183 Ų | 183 | 96.7 Ų | 96.7 | 86% | 0.855 | 54% | 0.536 | S | S | * | . | trans | -47.4 | 134.5 | 170.7 | -72.3 | 175.3 | -21.2 | 0 | 0 | 108.4 | Q268 E272 | Q268-Q270 PolarHBondContact O-N 2.9Å; Q270-E272 PolarHBondContact O-N 3.35Å | ||
| 271 | N | 36.1 | Very low | 52.2 | Low | 157 Ų | 157 | 99.3 Ų | 99.3 | 84% | 0.84 | 55% | 0.553 | S | S | * | * | trans | -43.6 | 100 | 173.4 | -72.3 | -10.5 | 0 | 0 | 0 | 110 | K269 | K269-N271 PolarHBondContact O-N 3.27Š| ||
| 272 | E | 35.3 | Very low | 50.3 | Low | 172 Ų | 172 | 100.9 Ų | 100.9 | 80% | 0.804 | 56% | 0.559 | S | S | * | * | trans | -77.8 | 124.2 | 146.6 | -73.7 | -176.5 | 165.8 | 0 | 0 | 104.3 | Q270 V274 | Q270-E272 PolarHBondContact O-N 3.35Å; E272-V274 HydrophobicContact CB-CG2 4.47Å; E272-V274 PolarHBondContact O-N 3.36Å | ||
| 273 | D | 38.3 | Very low | 48.7 | Very low | 170 Ų | 170 | 102 Ų | 102 | 91% | 0.909 | 57% | 0.565 | S | S | * | * | trans | -57.4 | 81.4 | 174.2 | -76.8 | -42.6 | 0 | 0 | 0 | 109.6 | ||||
| 274 | V | 43.8 | Very low | 47.8 | Very low | 99 Ų | 99 | 106.1 Ų | 106.1 | 60% | 0.6 | 59% | 0.585 | S | S | * | * | trans | -97.7 | 120.9 | 165.3 | -174.5 | 0 | 0 | 0 | 0 | 105.1 | E272 S276 | E272-V274 HydrophobicContact CB-CG2 4.47Å; E272-V274 PolarHBondContact O-N 3.36Å; V274-S276 PolarHBondContact O-N 3.43Å | ||
| 275 | D | 48.9 | Very low | 47.3 | Very low | 107 Ų | 107 | 104 Ų | 104 | 57% | 0.572 | 58% | 0.577 | S | S | * | * | trans | -51.7 | 99.2 | -172.5 | -161.7 | -6.1 | 0 | 0 | 0 | 110.8 | A277 Q278 | D275-A277 PolarHBondContact O-N 2.91Å; D275-Q278 HydrophobicContact CB-CB 4.48Å; D275-Q278 PolarHBondContact O-N 3.26Å | ||
| 276 | S | 55.6 | Low | 47.6 | Very low | 64 Ų | 64 | 104.7 Ų | 104.7 | 45% | 0.448 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.9 | -21.2 | -171 | 71.2 | 0 | 0 | 0 | 0 | 112.2 | V274 K280 | V274-S276 PolarHBondContact O-N 3.43Å; S276-K280 VanDerWaalsContact O-CB 3.26Å; S276-K280 WeakPolarHBondContact O-CB 3.45Å; S276-K280 WeakPolarHBondContact O-CG 3.33Å; S276-K280 PolarHBondContact O-N 2.88Å |
| 277 | A | 52.2 | Low | 48.1 | Very low | 54 Ų | 54 | 104.2 Ų | 104.2 | 45% | 0.446 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.6 | -37.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D275 M281 | D275-A277 PolarHBondContact O-N 2.91Å; A277-M281 VanDerWaalsContact O-CB 3.3Å; A277-M281 WeakPolarHBondContact O-CB 3.5Å; A277-M281 WeakPolarHBondContact O-CG 3.31Å; A277-M281 PolarHBondContact O-N 3.36Å |
| 278 | Q | 45.1 | Very low | 48.7 | Very low | 144 Ų | 144 | 105.8 Ų | 105.8 | 67% | 0.673 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -77.7 | -33.7 | -176.8 | -161.2 | 157.5 | 8.4 | 0 | 0 | 111.8 | D275 S282 | D275-Q278 HydrophobicContact CB-CB 4.48Å; D275-Q278 PolarHBondContact O-N 3.26Å; Q278-S282 WeakPolarHBondContact O-CB 3.47Å; Q278-S282 PolarHBondContact O-N 2.76Å |
| 279 | E | 58.1 | Low | 48.7 | Very low | 87 Ų | 87 | 107.4 Ų | 107.4 | 41% | 0.407 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.8 | -44.1 | 173.2 | -153.4 | 169.8 | -165.7 | 0 | 0 | 111.2 | H183 M281 S282 I283 | H183-E279 IonicContact CE1-OE1 3.31Å; E279-M281 VanDerWaalsContact C-N 3.31Å; E279-M281 PolarHBondContact O-N 3.43Å; E279-S282 PolarHBondContact O-N 3.23Å; E279-I283 HydrophobicContact CG-CD1 4.35Å; E279-I283 WeakPolarHBondContact O-CG1 3.35Å; E279-I283 PolarHBondContact O-N 2.59Å |
| 280 | K | 56.8 | Low | 49 | Very low | 58 Ų | 58 | 103.9 Ų | 103.9 | 25% | 0.252 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.2 | -40.6 | 172.1 | -73.6 | 176.2 | -176.1 | -172.4 | 0 | 111.8 | L147 D149 S276 I283 L284 | L147-K280 PolarHBondContact O-NZ 3.38Å; D149-K280 IonicContact OD1-NZ 2.65Å; D149-K280 IonicContact OD2-NZ 3.55Å; S276-K280 VanDerWaalsContact O-CB 3.26Å; S276-K280 WeakPolarHBondContact O-CB 3.45Å; S276-K280 WeakPolarHBondContact O-CG 3.33Å; S276-K280 PolarHBondContact O-N 2.88Å; K280-I283 PolarHBondContact O-N 3.23Å; K280-L284 PolarHBondContact O-N 2.96Å; K280-L284 VanDerWaalsContact O-N 3.13Å |
| 281 | M | 52.1 | Low | 49.1 | Very low | 132 Ų | 132 | 102.1 Ų | 102.1 | 65% | 0.65 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.8 | -39.7 | 176 | -78.6 | -73.5 | -77.5 | 0 | 0 | 113.5 | A277 E279 I283 L284 A285 | A277-M281 VanDerWaalsContact O-CB 3.3Å; A277-M281 WeakPolarHBondContact O-CB 3.5Å; A277-M281 WeakPolarHBondContact O-CG 3.31Å; A277-M281 PolarHBondContact O-N 3.36Å; E279-M281 VanDerWaalsContact C-N 3.31Å; E279-M281 PolarHBondContact O-N 3.43Å; M281-I283 PolarHBondContact O-N 3Å; M281-L284 HydrophobicContact SD-CD1 4.46Å; M281-A285 PolarHBondContact O-N 2.86Å |
| 282 | S | 51.9 | Low | 49.5 | Very low | 68 Ų | 68 | 104 Ų | 104 | 48% | 0.476 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.8 | -28.8 | 177.1 | -168.8 | 0 | 0 | 0 | 0 | 112 | Q278 E279 A285 I286 | Q278-S282 WeakPolarHBondContact O-CB 3.47Å; Q278-S282 PolarHBondContact O-N 2.76Å; E279-S282 PolarHBondContact O-N 3.23Å; S282-A285 WeakPolarHBondContact O-CB 3.36Å; S282-A285 PolarHBondContact O-N 3.11Å; S282-I286 WeakPolarHBondContact O-CG1 3.29Å; S282-I286 PolarHBondContact O-N 3.07Å |
| 283 | I | 55.4 | Low | 50.2 | Low | 33 Ų | 33 | 100.7 Ų | 100.7 | 17% | 0.169 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -85.2 | -34.7 | -178.8 | -67.1 | 173.5 | 0 | 0 | 0 | 111.9 | L187 E279 K280 M281 A285 I286 I287 | L187-I283 HydrophobicContact CD1-CD1 3.19Å; L187-I283 HydrophobicContact CD1-CG1 4.48Å; L187-I283 HydrophobicContact CD1-CG2 4.36Å; L187-I283 HydrophobicContact CD2-CD1 4.36Å; L187-I283 HydrophobicContact CG-CD1 4.4Å; E279-I283 HydrophobicContact CG-CD1 4.35Å; E279-I283 WeakPolarHBondContact O-CG1 3.35Å; E279-I283 PolarHBondContact O-N 2.59Å; K280-I283 PolarHBondContact O-N 3.23Å; M281-I283 PolarHBondContact O-N 3Å; I283-A285 PolarHBondContact O-N 3.45Å; I283-I286 HydrophobicContact CG1-CD1 4.31Å; I283-I286 CarbonylContact O-C 3.54Å; I283-I286 WeakPolarHBondContact O-CA 3.46Å; I283-I286 PolarHBondContact O-N 2.78Å; I283-I287 HydrophobicContact CG2-CD1 4.14Å; I283-I287 HydrophobicContact CG2-CG1 4.4Å; I283-I287 WeakPolarHBondContact O-CG1 2.97Å; I283-I287 PolarHBondContact O-N 3.09Å |
| 284 | L | 56.2 | Low | 50.8 | Low | 90 Ų | 90 | 97 Ų | 97 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -54.3 | -37.4 | 163.1 | -81.2 | 162 | 0 | 0 | 0 | 111.1 | K280 M281 N288 | K280-L284 PolarHBondContact O-N 2.96Å; K280-L284 VanDerWaalsContact O-N 3.13Å; M281-L284 HydrophobicContact SD-CD1 4.46Å; L284-N288 WeakPolarHBondContact O-CB 3.45Å; L284-N288 PolarHBondContact O-N 3.31Å; L284-N288 PolarHBondContact O-ND2 3.36Å; L284-N288 VanDerWaalsContact O-ND2 3.11Å |
| 285 | A | 53 | Low | 51.2 | Low | 45 Ų | 45 | 96.9 Ų | 96.9 | 37% | 0.372 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.3 | -32.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M281 S282 I283 N289 | M281-A285 PolarHBondContact O-N 2.86Å; S282-A285 WeakPolarHBondContact O-CB 3.36Å; S282-A285 PolarHBondContact O-N 3.11Å; I283-A285 PolarHBondContact O-N 3.45Å; A285-N289 WeakPolarHBondContact O-CB 3.4Å; A285-N289 PolarHBondContact O-N 2.88Å; A285-N289 VanDerWaalsContact O-N 3.11Å; A285-N289 PolarHBondContact O-ND2 3.01Å; A285-N289 VanDerWaalsContact O-ND2 3.15Å |
| 286 | I | 56.8 | Low | 51.4 | Low | 89 Ų | 89 | 96.3 Ų | 96.3 | 46% | 0.456 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.7 | -43.9 | 174.2 | -69.1 | 165.1 | 0 | 0 | 0 | 111 | S282 I283 N288 N289 M290 | S282-I286 WeakPolarHBondContact O-CG1 3.29Å; S282-I286 PolarHBondContact O-N 3.07Å; I283-I286 HydrophobicContact CG1-CD1 4.31Å; I283-I286 CarbonylContact O-C 3.54Å; I283-I286 WeakPolarHBondContact O-CA 3.46Å; I283-I286 PolarHBondContact O-N 2.78Å; I286-N288 VanDerWaalsContact C-N 3.28Å; I286-N288 PolarHBondContact O-N 3.43Å; I286-N289 CarbonylContact O-C 3.52Å; I286-N289 PolarHBondContact O-N 3.34Å; I286-M290 HydrophobicContact CG2-CG 4.22Å; I286-M290 WeakPolarHBondContact O-CG 3.12Å; I286-M290 PolarHBondContact O-N 3.23Å |
| 287 | I | 57.9 | Low | 51.1 | Low | 55 Ų | 55 | 98.3 Ų | 98.3 | 28% | 0.282 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58 | -43.4 | 174.3 | -67.3 | 168.5 | 0 | 0 | 0 | 109.8 | F188 I283 N289 M290 | F188-I287 HydrophobicContact CZ-CD1 4.41Å; I283-I287 HydrophobicContact CG2-CD1 4.14Å; I283-I287 HydrophobicContact CG2-CG1 4.4Å; I283-I287 WeakPolarHBondContact O-CG1 2.97Å; I283-I287 PolarHBondContact O-N 3.09Å; I287-N289 VanDerWaalsContact C-N 3.28Å; I287-N289 PolarHBondContact O-N 3.04Å; I287-M290 PolarHBondContact O-N 3.3Å |
| 288 | N | 51.1 | Low | 51 | Low | 113 Ų | 113 | 101.3 Ų | 101.3 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.7 | -22.1 | 176 | -71.4 | -22.5 | 0 | 0 | 0 | 114.1 | L284 I286 | L284-N288 WeakPolarHBondContact O-CB 3.45Å; L284-N288 PolarHBondContact O-N 3.31Å; L284-N288 PolarHBondContact O-ND2 3.36Å; L284-N288 VanDerWaalsContact O-ND2 3.11Å; I286-N288 VanDerWaalsContact C-N 3.28Å; I286-N288 PolarHBondContact O-N 3.43Å |
| 289 | N | 43.8 | Very low | 51.4 | Low | 137 Ų | 137 | 98.2 Ų | 98.2 | 73% | 0.733 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -96.1 | -4.5 | 179.9 | -76.2 | -22.4 | 0 | 0 | 0 | 113.7 | A285 I286 I287 | A285-N289 WeakPolarHBondContact O-CB 3.4Å; A285-N289 PolarHBondContact O-N 2.88Å; A285-N289 VanDerWaalsContact O-N 3.11Å; A285-N289 PolarHBondContact O-ND2 3.01Å; A285-N289 VanDerWaalsContact O-ND2 3.15Å; I286-N289 CarbonylContact O-C 3.52Å; I286-N289 PolarHBondContact O-N 3.34Å; I287-N289 VanDerWaalsContact C-N 3.28Å; I287-N289 PolarHBondContact O-N 3.04Å |
| 290 | M | 45.3 | Very low | 50.9 | Low | 124 Ų | 124 | 99.1 Ų | 99.1 | 61% | 0.611 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -93.3 | 0.3 | 177.9 | -72.9 | -99.9 | -73.2 | 0 | 0 | 113.1 | I286 I287 | I286-M290 HydrophobicContact CG2-CG 4.22Å; I286-M290 WeakPolarHBondContact O-CG 3.12Å; I286-M290 PolarHBondContact O-N 3.23Å; I287-M290 PolarHBondContact O-N 3.3Å |
| 291 | Q | 38.2 | Very low | 50.4 | Low | 146 Ų | 146 | 102.5 Ų | 102.5 | 68% | 0.682 | 57% | 0.566 | S | S | * | * | trans | -80.3 | 134.4 | 169.3 | -68.3 | -163.3 | -38.9 | 0 | 0 | 110.8 | ||||
| 292 | P | 43.6 | Very low | 50.3 | Low | 198 Ų | 198 | 99.8 Ų | 99.8 | 100% | 1.286 | 56% | 0.558 | S | S | * | * | trans | -68.6 | 0 | 172 | 28.2 | -32.7 | 0 | 0 | 0 | 113.5 |
Retrieved 292 of 292 residues in 341.8 ms
(Link to these results)