| 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 | 76.4 | Confident | 84.7 | Confident | 158 Ų | 158 | 87.2 Ų | 87.2 | 78% | 0.778 | 46% | 0.457 | S | S | * | . | 0 | -78.5 | 0 | -63.6 | -176.2 | 78.3 | 0 | 0 | 112.1 | K3 E4 G5 V6 | M1-K3 PolarHBondContact O-N 2.6Å; M1-E4 CarbonylContact O-C 2.96Å; M1-E4 VanDerWaalsContact O-CA 3.31Å; M1-E4 WeakPolarHBondContact O-CA 3.12Å; M1-E4 WeakPolarHBondContact O-CB 3.07Å; M1-E4 PolarHBondContact O-N 3.38Å; M1-G5 PolarHBondContact O-N 3.21Å; M1-V6 HydrophobicContact CB-CB 4.24Å; M1-V6 HydrophobicContact CB-CG2 3.92Å; M1-V6 HydrophobicContact CE-CG1 4.26Å; M1-V6 HydrophobicContact CG-CG2 4.33Å; M1-V6 WeakPolarHBondContact O-CB 3.21Å; M1-V6 WeakPolarHBondContact O-CG2 3.27Å; M1-V6 PolarHBondContact O-N 3.23Å | |||
| 2 | I | 81.1 | Confident | 85.3 | Confident | 53 Ų | 53 | 87 Ų | 87 | 27% | 0.272 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -62.2 | -42.6 | -176.8 | -63.8 | 174.9 | 0 | 0 | 0 | 112.3 | E4 G5 I8 Y33 L34 H37 | I2-E4 PolarHBondContact O-N 3.02Å; I2-G5 PolarHBondContact O-N 3.25Å; I2-I8 HydrophobicContact CD1-CD1 4.41Å; I2-I8 HydrophobicContact CD1-CG2 4.49Å; I2-I8 HydrophobicContact CG1-CD1 4.43Å; I2-I8 HydrophobicContact CG1-CG1 4.26Å; I2-I8 HydrophobicContact CG2-CD1 3.74Å; I2-I8 HydrophobicContact CG2-CG1 4.28Å; I2-Y33 HydrophobicContact CB-CE1 4.4Å; I2-Y33 HydrophobicContact CD1-CD1 4.07Å; I2-Y33 HydrophobicContact CD1-CE1 3.81Å; I2-Y33 HydrophobicContact CG2-CE1 4.26Å; I2-L34 HydrophobicContact CD1-CD2 3.83Å; I2-H37 HydrophobicContact CG2-CB 4.01Å |
| 3 | K | 79.8 | Confident | 85.8 | Confident | 146 Ų | 146 | 95.8 Ų | 95.8 | 64% | 0.635 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -67.1 | -10 | 170.7 | -67 | -164.2 | 175.7 | -166.9 | 0 | 114.4 | M1 D245 | M1-K3 PolarHBondContact O-N 2.6Å; K3-D245 IonicContact NZ-OD1 3.73Å; K3-D245 PolarHBondContact NZ-OD1 3.25Å |
| 4 | E | 81.2 | Confident | 86.2 | Confident | 117 Ų | 117 | 92.6 Ų | 92.6 | 55% | 0.547 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -104 | 18.3 | 178.8 | -39.7 | -66.4 | 148.7 | 0 | 0 | 111.5 | M1 I2 V6 | M1-E4 CarbonylContact O-C 2.96Å; M1-E4 VanDerWaalsContact O-CA 3.31Å; M1-E4 WeakPolarHBondContact O-CA 3.12Å; M1-E4 WeakPolarHBondContact O-CB 3.07Å; M1-E4 PolarHBondContact O-N 3.38Å; I2-E4 PolarHBondContact O-N 3.02Å; E4-V6 VanDerWaalsContact C-N 3.32Å; E4-V6 PolarHBondContact O-N 3.24Å |
| 5 | G | 79.3 | Confident | 86.5 | Confident | 63 Ų | 63 | 87.1 Ų | 87.1 | 65% | 0.649 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 12.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | M1 I2 N7 | M1-G5 PolarHBondContact O-N 3.21Å; I2-G5 PolarHBondContact O-N 3.25Å; G5-N7 PolarHBondContact O-N 2.87Å |
| 6 | V | 84.3 | Confident | 86.9 | Confident | 54 Ų | 54 | 85.5 Ų | 85.5 | 33% | 0.327 | 44% | 0.442 | S | S | . | . | trans | -60 | 133.4 | 173.4 | 175 | 0 | 0 | 0 | 0 | 110.2 | M1 E4 I8 | M1-V6 HydrophobicContact CB-CB 4.24Å; M1-V6 HydrophobicContact CB-CG2 3.92Å; M1-V6 HydrophobicContact CE-CG1 4.26Å; M1-V6 HydrophobicContact CG-CG2 4.33Å; M1-V6 WeakPolarHBondContact O-CB 3.21Å; M1-V6 WeakPolarHBondContact O-CG2 3.27Å; M1-V6 PolarHBondContact O-N 3.23Å; E4-V6 VanDerWaalsContact C-N 3.32Å; E4-V6 PolarHBondContact O-N 3.24Å; V6-I8 PolarHBondContact O-N 3.4Å; V6-I8 VanDerWaalsContact O-N 3.13Å | ||
| 7 | N | 86.4 | Confident | 87.2 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | trans | -66.7 | 110.4 | -179.4 | 178 | 21.5 | 0 | 0 | 0 | 111 | G5 N9 E10 | G5-N7 PolarHBondContact O-N 2.87Å; N7-N9 PolarHBondContact O-N 3.29Å; N7-N9 PolarHBondContact OD1-N 2.78Å; N7-N9 VanDerWaalsContact OD1-N 3.07Å; N7-E10 HydrophobicContact CB-CB 4.15Å; N7-E10 PolarHBondContact ND2-N 2.81Å; N7-E10 VanDerWaalsContact O-CB 3.25Å; N7-E10 WeakPolarHBondContact O-CB 3.44Å; N7-E10 PolarHBondContact O-N 2.91Å; N7-E10 VanDerWaalsContact O-N 3.15Å | ||
| 8 | I | 89.6 | Confident | 87.6 | Confident | 19 Ų | 19 | 80 Ų | 80 | 10% | 0.097 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.8 | -179.4 | -42.2 | -176.6 | 0 | 0 | 0 | 111.7 | I2 V6 L34 H37 A39 | I2-I8 HydrophobicContact CD1-CD1 4.41Å; I2-I8 HydrophobicContact CD1-CG2 4.49Å; I2-I8 HydrophobicContact CG1-CD1 4.43Å; I2-I8 HydrophobicContact CG1-CG1 4.26Å; I2-I8 HydrophobicContact CG2-CD1 3.74Å; I2-I8 HydrophobicContact CG2-CG1 4.28Å; V6-I8 PolarHBondContact O-N 3.4Å; V6-I8 VanDerWaalsContact O-N 3.13Å; I8-L34 HydrophobicContact CG2-CD2 3.41Å; I8-L34 VanDerWaalsContact CG2-CD2 3.41Å; I8-H37 HydrophobicContact CD1-CB 3.49Å; I8-H37 VanDerWaalsContact CD1-CB 3.49Å; I8-H37 WeakPolarHBondContact CD1-O 2.98Å; I8-A39 HydrophobicContact CG2-CB 3.77Å |
| 9 | N | 90.9 | Very high | 87.9 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 16.9 | -179.8 | -64.5 | -38.9 | 0 | 0 | 0 | 112.4 | N7 G38 A39 D40 I43 | N7-N9 PolarHBondContact O-N 3.29Å; N7-N9 PolarHBondContact OD1-N 2.78Å; N7-N9 VanDerWaalsContact OD1-N 3.07Å; N9-G38 PolarHBondContact ND2-O 3.13Å; N9-A39 VanDerWaalsContact OD1-CA 3.29Å; N9-A39 WeakPolarHBondContact OD1-CA 3.46Å; N9-D40 PolarHBondContact OD1-N 3.23Å; N9-I43 HydrophobicContact CB-CD1 3.62Å |
| 10 | E | 90.5 | Very high | 88.3 | Confident | 119 Ų | 119 | 72.1 Ų | 72.1 | 56% | 0.556 | 38% | 0.376 | S | S | * | . | trans | -66.7 | 138.1 | 169.1 | -169.5 | 156.2 | -143.8 | 0 | 0 | 109.9 | N7 T17 | N7-E10 HydrophobicContact CB-CB 4.15Å; N7-E10 PolarHBondContact ND2-N 2.81Å; N7-E10 VanDerWaalsContact O-CB 3.25Å; N7-E10 WeakPolarHBondContact O-CB 3.44Å; N7-E10 PolarHBondContact O-N 2.91Å; N7-E10 VanDerWaalsContact O-N 3.15Å; E10-T17 WeakPolarHBondContact O-CA 3.45Å | ||
| 11 | Q | 92.3 | Very high | 88.5 | Confident | 96 Ų | 96 | 71.9 Ų | 71.9 | 45% | 0.449 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -111 | 142.5 | -178.1 | -71.9 | -178.7 | -73.3 | 0 | 0 | 109.8 | G15 W16 T17 I43 S44 | Q11-G15 PolarHBondContact NE2-O 3.49Å; Q11-W16 WeakPolarHBondContact CA-O 3.26Å; Q11-T17 HydrophobicContact CG-CG2 3.65Å; Q11-I43 HydrophobicContact CG-CG2 4.2Å; Q11-S44 PolarHBondContact NE2-O 3.27Å; Q11-S44 VanDerWaalsContact NE2-O 3.1Å |
| 12 | D | 92.3 | Very high | 89.3 | Confident | 85 Ų | 85 | 64.4 Ų | 64.4 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | trans | -74.9 | -178.1 | 169 | 79.6 | -8.2 | 0 | 0 | 0 | 112.5 | T14 G15 W16 | D12-T14 PolarHBondContact O-N 3.05Å; D12-T14 VanDerWaalsContact OD1-CA 3.25Å; D12-T14 WeakPolarHBondContact OD1-CA 3.2Å; D12-T14 PolarHBondContact OD1-N 3.49Å; D12-T14 PolarHBondContact OD1-OG1 3.27Å; D12-T14 PolarHBondContact OD2-OG1 3.4Å; D12-G15 PolarHBondContact O-N 2.94Å; D12-G15 PolarHBondContact OD1-N 2.95Å; D12-W16 PolarHBondContact N-O 2.74Å; D12-W16 PolarHBondContact OD1-N 3.08Å | ||
| 13 | E | 91.4 | Very high | 90 | Very high | 201 Ų | 201 | 61.9 Ų | 61.9 | 94% | 0.939 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -15.7 | 177.1 | -61 | -174.7 | 173.3 | 0 | 0 | 113.8 | ||
| 14 | T | 91.1 | Very high | 90.6 | Very high | 52 Ų | 52 | 57.8 Ų | 57.8 | 32% | 0.319 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 9.2 | 177.4 | 73.7 | 0 | 0 | 0 | 0 | 113.1 | D12 W16 N45 I46 | D12-T14 PolarHBondContact O-N 3.05Å; D12-T14 VanDerWaalsContact OD1-CA 3.25Å; D12-T14 WeakPolarHBondContact OD1-CA 3.2Å; D12-T14 PolarHBondContact OD1-N 3.49Å; D12-T14 PolarHBondContact OD1-OG1 3.27Å; D12-T14 PolarHBondContact OD2-OG1 3.4Å; T14-W16 VanDerWaalsContact C-N 3.32Å; T14-W16 PolarHBondContact O-N 3.2Å; T14-N45 WeakPolarHBondContact O-CB 3.27Å; T14-I46 HydrophobicContact CG2-CD1 4.23Å; T14-I46 WeakPolarHBondContact O-CG1 3.35Å; T14-I46 WeakPolarHBondContact O-CG2 3.21Å; T14-I46 PolarHBondContact O-N 3.1Å |
| 15 | G | 90.7 | Very high | 91.1 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | trans | 78.4 | 9.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q11 D12 N45 | Q11-G15 PolarHBondContact NE2-O 3.49Å; D12-G15 PolarHBondContact O-N 2.94Å; D12-G15 PolarHBondContact OD1-N 2.95Å; G15-N45 WeakPolarHBondContact O-CA 3.43Å | ||
| 16 | W | 93.4 | Very high | 91.7 | Very high | 61 Ų | 61 | 60.7 Ų | 60.7 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | trans | -80.7 | 125.2 | -179.8 | -75 | 54.9 | 0 | 0 | 0 | 110.7 | Q11 D12 T14 H20 V24 N45 | Q11-W16 WeakPolarHBondContact CA-O 3.26Å; D12-W16 PolarHBondContact N-O 2.74Å; D12-W16 PolarHBondContact OD1-N 3.08Å; T14-W16 VanDerWaalsContact C-N 3.32Å; T14-W16 PolarHBondContact O-N 3.2Å; W16-H20 HydrophobicContact CB-CB 4.33Å; W16-H20 HydrophobicContact CD2-CB 3.98Å; W16-H20 HydrophobicContact CE3-CB 3.59Å; W16-H20 HydrophobicContact CG-CB 4.31Å; W16-H20 HydrophobicContact CZ3-CB 4.28Å; W16-V24 HydrophobicContact CH2-CB 4.42Å; W16-V24 HydrophobicContact CH2-CG1 4.5Å; W16-V24 HydrophobicContact CH2-CG2 3.71Å; W16-V24 HydrophobicContact CZ3-CB 4.04Å; W16-V24 HydrophobicContact CZ3-CG1 4.44Å; W16-V24 HydrophobicContact CZ3-CG2 3.6Å; W16-N45 HydrophobicContact CG-CB 4.29Å; W16-N45 PolarHBondContact NE1-ND2 2.83Å | ||
| 17 | T | 92.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | 163.6 | 165.6 | 64.6 | 0 | 0 | 0 | 0 | 110.9 | E10 Q11 L19 H20 E21 I43 | E10-T17 WeakPolarHBondContact O-CA 3.45Å; Q11-T17 HydrophobicContact CG-CG2 3.65Å; T17-L19 PolarHBondContact O-N 3.36Å; T17-L19 PolarHBondContact OG1-N 3.08Å; T17-H20 PolarHBondContact N-ND1 3.39Å; T17-H20 WeakPolarHBondContact O-CB 3.07Å; T17-H20 PolarHBondContact O-N 3.42Å; T17-H20 PolarHBondContact OG1-ND1 2.86Å; T17-E21 PolarHBondContact O-N 2.63Å; T17-I43 HydrophobicContact CG2-CB 4.22Å; T17-I43 HydrophobicContact CG2-CD1 4.04Å; T17-I43 HydrophobicContact CG2-CG2 3.68Å |
| 18 | V | 93 | Very high | 92.3 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 42% | 0.424 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -54.2 | -27.7 | 173.5 | -166.5 | 0 | 0 | 0 | 0 | 112.1 | A22 L34 | V18-A22 VanDerWaalsContact O-CB 3.3Å; V18-A22 WeakPolarHBondContact O-CB 3.45Å; V18-A22 PolarHBondContact O-N 3.01Å; V18-L34 HydrophobicContact CB-CD1 4.4Å; V18-L34 HydrophobicContact CB-CD2 4.16Å; V18-L34 HydrophobicContact CG1-CD1 4.04Å; V18-L34 HydrophobicContact CG1-CD2 3.96Å |
| 19 | L | 94.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 175 | -173.8 | 65.2 | 0 | 0 | 0 | 113.1 | T17 A22 C23 V31 L34 L35 A39 P41 A51 L67 | T17-L19 PolarHBondContact O-N 3.36Å; T17-L19 PolarHBondContact OG1-N 3.08Å; L19-A22 PolarHBondContact O-N 2.97Å; L19-C23 PolarHBondContact O-N 2.93Å; L19-C23 PolarHBondContact O-SG 2.82Å; L19-V31 HydrophobicContact CD1-CB 4.47Å; L19-V31 HydrophobicContact CD1-CG1 4.05Å; L19-V31 HydrophobicContact CD1-CG2 4.45Å; L19-L34 HydrophobicContact CB-CD1 4.48Å; L19-L34 HydrophobicContact CD1-CB 4.13Å; L19-L34 HydrophobicContact CD1-CD1 4.29Å; L19-L35 HydrophobicContact CD1-CD2 4.01Å; L19-L35 HydrophobicContact CD1-CG 4Å; L19-L35 HydrophobicContact CD2-CD2 3.76Å; L19-A39 HydrophobicContact CB-CB 4.34Å; L19-A39 HydrophobicContact CD2-CB 4.17Å; L19-P41 HydrophobicContact CD2-CB 4.12Å; L19-A51 HydrophobicContact CD2-CB 3.76Å; L19-A51 HydrophobicContact CG-CB 3.86Å; L19-L67 HydrophobicContact CD1-CD2 4.4Å; L19-L67 HydrophobicContact CD2-CD2 4.13Å; L19-L67 HydrophobicContact CG-CD2 4.47Å |
| 20 | H | 94.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 174.4 | -68.4 | 76.2 | 0 | 0 | 0 | 110.4 | W16 T17 A22 C23 V24 I43 D49 | W16-H20 HydrophobicContact CB-CB 4.33Å; W16-H20 HydrophobicContact CD2-CB 3.98Å; W16-H20 HydrophobicContact CE3-CB 3.59Å; W16-H20 HydrophobicContact CG-CB 4.31Å; W16-H20 HydrophobicContact CZ3-CB 4.28Å; T17-H20 PolarHBondContact N-ND1 3.39Å; T17-H20 WeakPolarHBondContact O-CB 3.07Å; T17-H20 PolarHBondContact O-N 3.42Å; T17-H20 PolarHBondContact OG1-ND1 2.86Å; H20-A22 PolarHBondContact O-N 3.04Å; H20-C23 WeakPolarHBondContact O-CB 3.24Å; H20-C23 PolarHBondContact O-N 3.13Å; H20-C23 VanDerWaalsContact O-N 3.14Å; H20-V24 WeakPolarHBondContact O-CG2 3.39Å; H20-V24 PolarHBondContact O-N 3.35Å; H20-I43 PolarHBondContact CE1-O 2.87Å; H20-I43 PolarHBondContact NE2-O 3.27Å; H20-D49 PolarHBondContact NE2-O 2.6Å; H20-D49 VanDerWaalsContact NE2-O 3.16Å |
| 21 | E | 93.9 | Very high | 92.5 | Very high | 68 Ų | 68 | 62 Ų | 62 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 179.9 | -172.5 | 67.8 | 171.8 | 0 | 0 | 112 | T17 C23 V24 R25 | T17-E21 PolarHBondContact O-N 2.63Å; E21-C23 VanDerWaalsContact C-N 3.31Å; E21-C23 PolarHBondContact O-N 3.24Å; E21-V24 PolarHBondContact O-N 2.81Å; E21-R25 HydrophobicContact CG-CG 4.49Å; E21-R25 WeakPolarHBondContact O-CB 3.42Å; E21-R25 WeakPolarHBondContact O-CG 3.41Å; E21-R25 PolarHBondContact O-N 2.72Å; E21-R25 IonicContact OE1-CZ 2.75Å; E21-R25 IonicContact OE1-NE 2.73Å; E21-R25 PolarHBondContact OE1-NE 3.15Å; E21-R25 IonicContact OE1-NH2 2.66Å; E21-R25 PolarHBondContact OE1-NH2 2.85Å |
| 22 | A | 93.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.8 | -30.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V18 L19 H20 L27 M30 V31 L34 | V18-A22 VanDerWaalsContact O-CB 3.3Å; V18-A22 WeakPolarHBondContact O-CB 3.45Å; V18-A22 PolarHBondContact O-N 3.01Å; L19-A22 PolarHBondContact O-N 2.97Å; H20-A22 PolarHBondContact O-N 3.04Å; A22-L27 PolarHBondContact O-N 3.12Å; A22-M30 HydrophobicContact CB-CB 4.11Å; A22-M30 HydrophobicContact CB-CG 3.89Å; A22-M30 HydrophobicContact CB-SD 3.95Å; A22-V31 HydrophobicContact CB-CG2 3.76Å; A22-L34 HydrophobicContact CB-CD1 3.58Å |
| 23 | C | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71 | -48.8 | 172.2 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | L19 H20 E21 R25 N26 C54 A55 I63 | L19-C23 PolarHBondContact O-N 2.93Å; L19-C23 PolarHBondContact O-SG 2.82Å; H20-C23 WeakPolarHBondContact O-CB 3.24Å; H20-C23 PolarHBondContact O-N 3.13Å; H20-C23 VanDerWaalsContact O-N 3.14Å; E21-C23 VanDerWaalsContact C-N 3.31Å; E21-C23 PolarHBondContact O-N 3.24Å; C23-R25 PolarHBondContact O-N 3.06Å; C23-N26 PolarHBondContact O-N 3.12Å; C23-N26 VanDerWaalsContact O-N 3.1Å; C23-C54 HydrophobicContact CB-CB 3.98Å; C23-A55 HydrophobicContact CB-CB 4.48Å; C23-I63 HydrophobicContact CB-CG2 4.14Å; C23-I63 VanDerWaalsContact SG-CG2 3.56Å |
| 24 | V | 93.1 | Very high | 92.5 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 36% | 0.358 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.8 | -36.6 | -177.5 | 173.7 | 0 | 0 | 0 | 0 | 112.7 | W16 H20 E21 N26 C54 | W16-V24 HydrophobicContact CH2-CB 4.42Å; W16-V24 HydrophobicContact CH2-CG1 4.5Å; W16-V24 HydrophobicContact CH2-CG2 3.71Å; W16-V24 HydrophobicContact CZ3-CB 4.04Å; W16-V24 HydrophobicContact CZ3-CG1 4.44Å; W16-V24 HydrophobicContact CZ3-CG2 3.6Å; H20-V24 WeakPolarHBondContact O-CG2 3.39Å; H20-V24 PolarHBondContact O-N 3.35Å; E21-V24 PolarHBondContact O-N 2.81Å; V24-N26 PolarHBondContact O-N 2.77Å; V24-C54 HydrophobicContact CG2-CB 3.72Å |
| 25 | R | 92.7 | Very high | 92.6 | Very high | 162 Ų | 162 | 48.1 Ų | 48.1 | 61% | 0.611 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 5.1 | 173.5 | -66.6 | -175.8 | -175.6 | -134.8 | 1.6 | 114.4 | E21 C23 L27 | E21-R25 HydrophobicContact CG-CG 4.49Å; E21-R25 WeakPolarHBondContact O-CB 3.42Å; E21-R25 WeakPolarHBondContact O-CG 3.41Å; E21-R25 PolarHBondContact O-N 2.72Å; E21-R25 IonicContact OE1-CZ 2.75Å; E21-R25 IonicContact OE1-NE 2.73Å; E21-R25 PolarHBondContact OE1-NE 3.15Å; E21-R25 IonicContact OE1-NH2 2.66Å; E21-R25 PolarHBondContact OE1-NH2 2.85Å; C23-R25 PolarHBondContact O-N 3.06Å; R25-L27 HydrophobicContact CB-CD1 3.75Å; R25-L27 HydrophobicContact CB-CG 3.7Å; R25-L27 PolarHBondContact O-N 3.35Å |
| 26 | N | 91.3 | Very high | 92.6 | Very high | 80 Ų | 80 | 52.5 Ų | 52.5 | 43% | 0.428 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 53.4 | -175.2 | -167.6 | 5.2 | 0 | 0 | 0 | 113 | C23 V24 P28 V58 C60 | C23-N26 PolarHBondContact O-N 3.12Å; C23-N26 VanDerWaalsContact O-N 3.1Å; V24-N26 PolarHBondContact O-N 2.77Å; N26-P28 WeakPolarHBondContact O-CD 3.43Å; N26-V58 HydrophobicContact CB-CG1 4.02Å; N26-C60 WeakPolarHBondContact OD1-CB 3.42Å; N26-C60 PolarHBondContact OD1-SG 2.89Å |
| 27 | L | 92.6 | Very high | 92.4 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 32% | 0.319 | 25% | 0.248 | S | C | . | . | trans | -108.1 | 71.7 | -177.2 | -59.5 | 178.6 | 0 | 0 | 0 | 111.4 | A22 R25 R29 M30 V31 | A22-L27 PolarHBondContact O-N 3.12Å; R25-L27 HydrophobicContact CB-CD1 3.75Å; R25-L27 HydrophobicContact CB-CG 3.7Å; R25-L27 PolarHBondContact O-N 3.35Å; L27-R29 PolarHBondContact O-N 3.39Å; L27-R29 VanDerWaalsContact O-N 3.11Å; L27-M30 HydrophobicContact CB-CB 3.7Å; L27-M30 HydrophobicContact CD1-CB 4.45Å; L27-M30 HydrophobicContact CD1-CE 3.84Å; L27-M30 HydrophobicContact CD1-SD 3.83Å; L27-M30 WeakPolarHBondContact O-CA 2.98Å; L27-M30 WeakPolarHBondContact O-CB 3.34Å; L27-M30 PolarHBondContact O-N 2.71Å; L27-V31 PolarHBondContact O-N 3.11Å | ||
| 28 | P | 89.4 | Confident | 92.2 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -29.5 | -173.5 | 23.1 | -34 | 0 | 0 | 0 | 113.7 | N26 D32 R62 I63 | N26-P28 WeakPolarHBondContact O-CD 3.43Å; P28-D32 WeakPolarHBondContact O-CB 3.5Å; P28-D32 PolarHBondContact O-N 2.75Å; P28-R62 HydrophobicContact CB-CB 4.35Å; P28-I63 HydrophobicContact CB-CD1 4.49Å; P28-I63 HydrophobicContact CB-CG1 3.89Å |
| 29 | R | 91.2 | Very high | 92.1 | Very high | 177 Ų | 177 | 53.1 Ų | 53.1 | 67% | 0.668 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -69.4 | -34.2 | 172.6 | -68 | -174.3 | -178.5 | -178.6 | 2.2 | 112.7 | L27 Y33 | L27-R29 PolarHBondContact O-N 3.39Å; L27-R29 VanDerWaalsContact O-N 3.11Å; R29-Y33 WeakPolarHBondContact O-CB 3.26Å; R29-Y33 PolarHBondContact O-N 3.17Å |
| 30 | M | 92.1 | Very high | 91.9 | Very high | 87 Ų | 87 | 56.2 Ų | 56.2 | 43% | 0.429 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -76 | -41 | 177.2 | -170.1 | 177.2 | -72.6 | 0 | 0 | 110.4 | A22 L27 Y33 L34 | A22-M30 HydrophobicContact CB-CB 4.11Å; A22-M30 HydrophobicContact CB-CG 3.89Å; A22-M30 HydrophobicContact CB-SD 3.95Å; L27-M30 HydrophobicContact CB-CB 3.7Å; L27-M30 HydrophobicContact CD1-CB 4.45Å; L27-M30 HydrophobicContact CD1-CE 3.84Å; L27-M30 HydrophobicContact CD1-SD 3.83Å; L27-M30 WeakPolarHBondContact O-CA 2.98Å; L27-M30 WeakPolarHBondContact O-CB 3.34Å; L27-M30 PolarHBondContact O-N 2.71Å; M30-Y33 PolarHBondContact O-N 2.8Å; M30-L34 HydrophobicContact CG-CD1 3.88Å; M30-L34 HydrophobicContact CG-CG 4.28Å; M30-L34 WeakPolarHBondContact O-CB 3.26Å; M30-L34 WeakPolarHBondContact O-CD1 3.36Å; M30-L34 WeakPolarHBondContact O-CG 3.24Å; M30-L34 PolarHBondContact O-N 3.43Å |
| 31 | V | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.4 | -51.2 | 171.7 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L19 A22 L27 Y33 L34 L35 I63 A66 | L19-V31 HydrophobicContact CD1-CB 4.47Å; L19-V31 HydrophobicContact CD1-CG1 4.05Å; L19-V31 HydrophobicContact CD1-CG2 4.45Å; A22-V31 HydrophobicContact CB-CG2 3.76Å; L27-V31 PolarHBondContact O-N 3.11Å; V31-Y33 VanDerWaalsContact C-N 3.32Å; V31-Y33 PolarHBondContact O-N 3.01Å; V31-L34 PolarHBondContact O-N 2.92Å; V31-L35 HydrophobicContact CG1-CD1 3.6Å; V31-L35 HydrophobicContact CG1-CG 4.31Å; V31-L35 WeakPolarHBondContact O-CB 3.16Å; V31-L35 VanDerWaalsContact O-CG 3.27Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 2.93Å; V31-I63 HydrophobicContact CG1-CG2 4.2Å; V31-I63 HydrophobicContact CG2-CD1 4.25Å; V31-I63 HydrophobicContact CG2-CG1 4.24Å; V31-I63 HydrophobicContact CG2-CG2 4.09Å; V31-A66 HydrophobicContact CG1-CB 4.26Å |
| 32 | D | 91.5 | Very high | 91.6 | Very high | 37 Ų | 37 | 56.9 Ų | 56.9 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 176.2 | -178.9 | 45.1 | 0 | 0 | 0 | 112.2 | P28 R36 | P28-D32 WeakPolarHBondContact O-CB 3.5Å; P28-D32 PolarHBondContact O-N 2.75Å; D32-R36 VanDerWaalsContact CG-CZ 3.48Å; D32-R36 VanDerWaalsContact CG-NE 3.31Å; D32-R36 WeakPolarHBondContact O-CB 3.44Å; D32-R36 WeakPolarHBondContact O-CD 3.21Å; D32-R36 WeakPolarHBondContact O-CG 3.38Å; D32-R36 PolarHBondContact O-N 2.97Å; D32-R36 VanDerWaalsContact O-N 3.12Å; D32-R36 IonicContact OD1-CZ 3.81Å; D32-R36 IonicContact OD1-NE 2.78Å; D32-R36 PolarHBondContact OD1-NE 3.44Å; D32-R36 IonicContact OD1-NH2 3.88Å; D32-R36 PolarHBondContact OD1-NH2 2.83Å; D32-R36 IonicContact OD2-CZ 2.77Å; D32-R36 IonicContact OD2-NE 3.7Å; D32-R36 PolarHBondContact OD2-NE 3.05Å; D32-R36 IonicContact OD2-NH1 2.83Å; D32-R36 IonicContact OD2-NH2 3.55Å; D32-R36 PolarHBondContact OD2-NH2 2.85Å |
| 33 | Y | 91.7 | Very high | 91.5 | Very high | 96 Ų | 96 | 58.4 Ų | 58.4 | 38% | 0.376 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.4 | -48.8 | 174.3 | -169.3 | -80.2 | 0 | 0 | 0 | 112.2 | I2 R29 M30 V31 R36 H37 | I2-Y33 HydrophobicContact CB-CE1 4.4Å; I2-Y33 HydrophobicContact CD1-CD1 4.07Å; I2-Y33 HydrophobicContact CD1-CE1 3.81Å; I2-Y33 HydrophobicContact CG2-CE1 4.26Å; R29-Y33 WeakPolarHBondContact O-CB 3.26Å; R29-Y33 PolarHBondContact O-N 3.17Å; M30-Y33 PolarHBondContact O-N 2.8Å; V31-Y33 VanDerWaalsContact C-N 3.32Å; V31-Y33 PolarHBondContact O-N 3.01Å; Y33-R36 PolarHBondContact O-N 3.26Å; Y33-H37 AromaticContact CD1-CD2 3.57Å; Y33-H37 AromaticContact CE1-CD2 3.24Å; Y33-H37 WeakPolarHBondContact CE1-CD2 3.49Å; Y33-H37 AromaticContact CE1-NE2 3.63Å; Y33-H37 AromaticContact CE2-NE2 3.74Å; Y33-H37 AromaticContact CZ-CD2 3.48Å; Y33-H37 VanDerWaalsContact CZ-CD2 3.48Å; Y33-H37 AromaticContact CZ-NE2 3.32Å; Y33-H37 VanDerWaalsContact CZ-NE2 3.32Å; Y33-H37 PolarHBondContact O-CD2 3.38Å; Y33-H37 VanDerWaalsContact O-CD2 3.26Å; Y33-H37 PolarHBondContact O-N 3.43Å; Y33-H37 VanDerWaalsContact O-N 3.07Å; Y33-H37 PolarHBondContact OH-NE2 2.97Å |
| 34 | L | 92.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.3 | -49.5 | -179 | -72.4 | 166.3 | 0 | 0 | 0 | 111 | I2 I8 V18 L19 A22 M30 V31 R36 H37 G38 A39 | I2-L34 HydrophobicContact CD1-CD2 3.83Å; I8-L34 HydrophobicContact CG2-CD2 3.41Å; I8-L34 VanDerWaalsContact CG2-CD2 3.41Å; V18-L34 HydrophobicContact CB-CD1 4.4Å; V18-L34 HydrophobicContact CB-CD2 4.16Å; V18-L34 HydrophobicContact CG1-CD1 4.04Å; V18-L34 HydrophobicContact CG1-CD2 3.96Å; L19-L34 HydrophobicContact CB-CD1 4.48Å; L19-L34 HydrophobicContact CD1-CB 4.13Å; L19-L34 HydrophobicContact CD1-CD1 4.29Å; A22-L34 HydrophobicContact CB-CD1 3.58Å; M30-L34 HydrophobicContact CG-CD1 3.88Å; M30-L34 HydrophobicContact CG-CG 4.28Å; M30-L34 WeakPolarHBondContact O-CB 3.26Å; M30-L34 WeakPolarHBondContact O-CD1 3.36Å; M30-L34 WeakPolarHBondContact O-CG 3.24Å; M30-L34 PolarHBondContact O-N 3.43Å; V31-L34 PolarHBondContact O-N 2.92Å; L34-R36 PolarHBondContact O-N 2.89Å; L34-H37 CarbonylContact O-C 3.55Å; L34-H37 PolarHBondContact O-N 2.98Å; L34-H37 VanDerWaalsContact O-N 3.15Å; L34-G38 PolarHBondContact O-N 3.34Å; L34-A39 VanDerWaalsContact C-CB 3.45Å; L34-A39 HydrophobicContact CB-CB 3.78Å; L34-A39 WeakPolarHBondContact O-CB 3.39Å; L34-A39 PolarHBondContact O-N 2.93Å |
| 35 | L | 93.3 | Very high | 91.4 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 179.1 | -66.1 | 169.8 | 0 | 0 | 0 | 112 | L19 V31 H37 G38 P41 A66 L67 Y70 | L19-L35 HydrophobicContact CD1-CD2 4.01Å; L19-L35 HydrophobicContact CD1-CG 4Å; L19-L35 HydrophobicContact CD2-CD2 3.76Å; V31-L35 HydrophobicContact CG1-CD1 3.6Å; V31-L35 HydrophobicContact CG1-CG 4.31Å; V31-L35 WeakPolarHBondContact O-CB 3.16Å; V31-L35 VanDerWaalsContact O-CG 3.27Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 2.93Å; L35-H37 VanDerWaalsContact C-N 3.27Å; L35-H37 PolarHBondContact O-N 2.92Å; L35-G38 PolarHBondContact O-N 3.05Å; L35-G38 VanDerWaalsContact O-N 3.15Å; L35-P41 HydrophobicContact CD2-CB 3.97Å; L35-P41 HydrophobicContact CD2-CG 4.25Å; L35-A66 HydrophobicContact CD1-CB 4.29Å; L35-L67 HydrophobicContact CD1-CD2 4.03Å; L35-L67 HydrophobicContact CD2-CD2 4.16Å; L35-Y70 HydrophobicContact CB-CD1 3.94Å; L35-Y70 HydrophobicContact CB-CD2 3.6Å; L35-Y70 HydrophobicContact CB-CE1 4.1Å; L35-Y70 HydrophobicContact CB-CE2 3.79Å; L35-Y70 HydrophobicContact CB-CG 3.7Å; L35-Y70 HydrophobicContact CD1-CD2 3.6Å; L35-Y70 HydrophobicContact CD1-CE2 4.32Å; L35-Y70 HydrophobicContact CD1-CG 4.02Å; L35-Y70 HydrophobicContact CD2-CG 4.31Å; L35-Y70 HydrophobicContact CG-CD2 4.13Å; L35-Y70 HydrophobicContact CG-CG 4.22Å |
| 36 | R | 91.1 | Very high | 91.3 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61 | -33.4 | 173.4 | -76.6 | 171.9 | -164.9 | -157.1 | 7.9 | 113.8 | D32 Y33 L34 G38 Y70 | D32-R36 VanDerWaalsContact CG-CZ 3.48Å; D32-R36 VanDerWaalsContact CG-NE 3.31Å; D32-R36 WeakPolarHBondContact O-CB 3.44Å; D32-R36 WeakPolarHBondContact O-CD 3.21Å; D32-R36 WeakPolarHBondContact O-CG 3.38Å; D32-R36 PolarHBondContact O-N 2.97Å; D32-R36 VanDerWaalsContact O-N 3.12Å; D32-R36 IonicContact OD1-CZ 3.81Å; D32-R36 IonicContact OD1-NE 2.78Å; D32-R36 PolarHBondContact OD1-NE 3.44Å; D32-R36 IonicContact OD1-NH2 3.88Å; D32-R36 PolarHBondContact OD1-NH2 2.83Å; D32-R36 IonicContact OD2-CZ 2.77Å; D32-R36 IonicContact OD2-NE 3.7Å; D32-R36 PolarHBondContact OD2-NE 3.05Å; D32-R36 IonicContact OD2-NH1 2.83Å; D32-R36 IonicContact OD2-NH2 3.55Å; D32-R36 PolarHBondContact OD2-NH2 2.85Å; Y33-R36 PolarHBondContact O-N 3.26Å; L34-R36 PolarHBondContact O-N 2.89Å; R36-G38 VanDerWaalsContact C-N 3.33Å; R36-Y70 WeakPolarHBondContact CG-OH 3.13Å |
| 37 | H | 88.8 | Confident | 91.3 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 5.2 | 178.6 | -77.5 | -76.3 | 0 | 0 | 0 | 113.8 | I2 I8 Y33 L34 L35 | I2-H37 HydrophobicContact CG2-CB 4.01Å; I8-H37 HydrophobicContact CD1-CB 3.49Å; I8-H37 VanDerWaalsContact CD1-CB 3.49Å; I8-H37 WeakPolarHBondContact CD1-O 2.98Å; Y33-H37 AromaticContact CD1-CD2 3.57Å; Y33-H37 AromaticContact CE1-CD2 3.24Å; Y33-H37 WeakPolarHBondContact CE1-CD2 3.49Å; Y33-H37 AromaticContact CE1-NE2 3.63Å; Y33-H37 AromaticContact CE2-NE2 3.74Å; Y33-H37 AromaticContact CZ-CD2 3.48Å; Y33-H37 VanDerWaalsContact CZ-CD2 3.48Å; Y33-H37 AromaticContact CZ-NE2 3.32Å; Y33-H37 VanDerWaalsContact CZ-NE2 3.32Å; Y33-H37 PolarHBondContact O-CD2 3.38Å; Y33-H37 VanDerWaalsContact O-CD2 3.26Å; Y33-H37 PolarHBondContact O-N 3.43Å; Y33-H37 VanDerWaalsContact O-N 3.07Å; Y33-H37 PolarHBondContact OH-NE2 2.97Å; L34-H37 CarbonylContact O-C 3.55Å; L34-H37 PolarHBondContact O-N 2.98Å; L34-H37 VanDerWaalsContact O-N 3.15Å; L35-H37 VanDerWaalsContact C-N 3.27Å; L35-H37 PolarHBondContact O-N 2.92Å |
| 38 | G | 86.9 | Confident | 91.2 | Very high | 46 Ų | 46 | 51.9 Ų | 51.9 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | 24.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N9 L34 L35 R36 D40 | N9-G38 PolarHBondContact ND2-O 3.13Å; L34-G38 PolarHBondContact O-N 3.34Å; L35-G38 PolarHBondContact O-N 3.05Å; L35-G38 VanDerWaalsContact O-N 3.15Å; R36-G38 VanDerWaalsContact C-N 3.33Å; G38-D40 PolarHBondContact O-N 3.4Å |
| 39 | A | 91.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | trans | -60.5 | 127.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | I8 N9 L19 L34 P41 | I8-A39 HydrophobicContact CG2-CB 3.77Å; N9-A39 VanDerWaalsContact OD1-CA 3.29Å; N9-A39 WeakPolarHBondContact OD1-CA 3.46Å; L19-A39 HydrophobicContact CB-CB 4.34Å; L19-A39 HydrophobicContact CD2-CB 4.17Å; L34-A39 VanDerWaalsContact C-CB 3.45Å; L34-A39 HydrophobicContact CB-CB 3.78Å; L34-A39 WeakPolarHBondContact O-CB 3.39Å; L34-A39 PolarHBondContact O-N 2.93Å; A39-P41 WeakPolarHBondContact O-CD 3.11Å | ||
| 40 | D | 90.2 | Very high | 91.4 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 35% | 0.353 | 23% | 0.23 | S | C | . | . | trans | -85 | 115.1 | -179.1 | -173.7 | -25.2 | 0 | 0 | 0 | 109.4 | N9 G38 S42 I43 | N9-D40 PolarHBondContact OD1-N 3.23Å; G38-D40 PolarHBondContact O-N 3.4Å; D40-S42 PolarHBondContact O-N 2.78Å; D40-S42 VanDerWaalsContact OD1-CB 3.3Å; D40-S42 WeakPolarHBondContact OD1-CB 3.36Å; D40-S42 PolarHBondContact OD1-N 3.48Å; D40-S42 PolarHBondContact OD1-OG 3.37Å; D40-I43 HydrophobicContact CB-CD1 3.84Å; D40-I43 HydrophobicContact CB-CG1 4Å | ||
| 41 | P | 91.5 | Very high | 91.4 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 10% | 0.104 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 0.3 | -178.2 | 34 | -35.6 | 0 | 0 | 0 | 113.5 | L19 L35 A39 V50 L67 Y70 A72 | L19-P41 HydrophobicContact CD2-CB 4.12Å; L35-P41 HydrophobicContact CD2-CB 3.97Å; L35-P41 HydrophobicContact CD2-CG 4.25Å; A39-P41 WeakPolarHBondContact O-CD 3.11Å; P41-V50 WeakPolarHBondContact O-CG1 3.2Å; P41-L67 HydrophobicContact CB-CD2 3.84Å; P41-Y70 WeakPolarHBondContact CG-O 3.45Å; P41-A72 HydrophobicContact CB-CB 3.98Å; P41-A72 HydrophobicContact CG-CB 4.36Å |
| 42 | S | 90.3 | Very high | 91.4 | Very high | 67 Ų | 67 | 38.3 Ų | 38.3 | 47% | 0.469 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -11.2 | 177.7 | 73.8 | 0 | 0 | 0 | 0 | 114.4 | D40 | D40-S42 PolarHBondContact O-N 2.78Å; D40-S42 VanDerWaalsContact OD1-CB 3.3Å; D40-S42 WeakPolarHBondContact OD1-CB 3.36Å; D40-S42 PolarHBondContact OD1-N 3.48Å; D40-S42 PolarHBondContact OD1-OG 3.37Å |
| 43 | I | 91.4 | Very high | 91.6 | Very high | 33 Ų | 33 | 36.6 Ų | 36.6 | 17% | 0.169 | 20% | 0.2 | C | C | . | . | trans | -65.2 | 136.7 | 178.8 | -62.4 | 172.4 | 0 | 0 | 0 | 110 | N9 Q11 T17 H20 D40 | N9-I43 HydrophobicContact CB-CD1 3.62Å; Q11-I43 HydrophobicContact CG-CG2 4.2Å; T17-I43 HydrophobicContact CG2-CB 4.22Å; T17-I43 HydrophobicContact CG2-CD1 4.04Å; T17-I43 HydrophobicContact CG2-CG2 3.68Å; H20-I43 PolarHBondContact CE1-O 2.87Å; H20-I43 PolarHBondContact NE2-O 3.27Å; D40-I43 HydrophobicContact CB-CD1 3.84Å; D40-I43 HydrophobicContact CB-CG1 4Å | ||
| 44 | S | 93 | Very high | 91.6 | Very high | 51 Ų | 51 | 32 Ų | 32 | 36% | 0.357 | 18% | 0.182 | S | C | . | . | B | Isolated β-bridge | trans | -114.5 | 146.8 | 179 | 63.1 | 0 | 0 | 0 | 0 | 113 | Q11 D49 | Q11-S44 PolarHBondContact NE2-O 3.27Å; Q11-S44 VanDerWaalsContact NE2-O 3.1Å; S44-D49 CarbonylContact C-O 3.48Å; S44-D49 VanDerWaalsContact CA-O 3.26Å; S44-D49 WeakPolarHBondContact CA-O 3.29Å |
| 45 | N | 92.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | trans | -82.4 | -174.5 | 173.1 | 73 | 16.2 | 0 | 0 | 0 | 113.4 | T14 G15 W16 N47 G48 D49 | T14-N45 WeakPolarHBondContact O-CB 3.27Å; G15-N45 WeakPolarHBondContact O-CA 3.43Å; W16-N45 HydrophobicContact CG-CB 4.29Å; W16-N45 PolarHBondContact NE1-ND2 2.83Å; N45-N47 PolarHBondContact O-N 3.01Å; N45-N47 VanDerWaalsContact O-N 3.15Å; N45-N47 WeakPolarHBondContact OD1-CA 3.39Å; N45-N47 VanDerWaalsContact OD1-CB 3.31Å; N45-N47 WeakPolarHBondContact OD1-CB 3.3Å; N45-N47 PolarHBondContact OD1-N 3.08Å; N45-G48 WeakPolarHBondContact O-CA 3.44Å; N45-G48 PolarHBondContact O-N 3.23Å; N45-G48 PolarHBondContact OD1-N 3.06Å; N45-D49 PolarHBondContact N-O 2.67Å; N45-D49 WeakPolarHBondContact OD1-CB 3.44Å; N45-D49 PolarHBondContact OD1-N 2.86Å; N45-D49 VanDerWaalsContact OD1-N 3.14Å; N45-D49 PolarHBondContact OD1-O 2.97Å | ||
| 46 | I | 91.6 | Very high | 91.6 | Very high | 105 Ų | 105 | 31.6 Ų | 31.6 | 54% | 0.538 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.5 | 178.6 | 59.4 | 176.5 | 0 | 0 | 0 | 114.8 | T14 G48 H79 | T14-I46 HydrophobicContact CG2-CD1 4.23Å; T14-I46 WeakPolarHBondContact O-CG1 3.35Å; T14-I46 WeakPolarHBondContact O-CG2 3.21Å; T14-I46 PolarHBondContact O-N 3.1Å; I46-G48 VanDerWaalsContact C-N 3.26Å; I46-H79 PolarHBondContact O-CE1 3.21Å; I46-H79 PolarHBondContact O-ND1 2.87Å |
| 47 | N | 90 | Very high | 91.6 | Very high | 59 Ų | 59 | 30.8 Ų | 30.8 | 32% | 0.316 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5.2 | 174.2 | -60.7 | -30.9 | 0 | 0 | 0 | 112.3 | N45 D49 N78 H79 | N45-N47 PolarHBondContact O-N 3.01Å; N45-N47 VanDerWaalsContact O-N 3.15Å; N45-N47 WeakPolarHBondContact OD1-CA 3.39Å; N45-N47 VanDerWaalsContact OD1-CB 3.31Å; N45-N47 WeakPolarHBondContact OD1-CB 3.3Å; N45-N47 PolarHBondContact OD1-N 3.08Å; N47-D49 PolarHBondContact O-N 2.88Å; N47-N78 WeakPolarHBondContact O-CB 3.27Å; N47-H79 VanDerWaalsContact C-ND1 3.31Å; N47-H79 VanDerWaalsContact O-CB 3.23Å; N47-H79 WeakPolarHBondContact O-CB 3.45Å; N47-H79 PolarHBondContact O-N 2.9Å |
| 48 | G | 90.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | trans | 72.3 | 5.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113 | N45 I46 V50 N78 H79 | N45-G48 WeakPolarHBondContact O-CA 3.44Å; N45-G48 PolarHBondContact O-N 3.23Å; N45-G48 PolarHBondContact OD1-N 3.06Å; I46-G48 VanDerWaalsContact C-N 3.26Å; G48-V50 PolarHBondContact O-N 2.84Å; G48-N78 VanDerWaalsContact O-CA 3.3Å; G48-N78 WeakPolarHBondContact O-CA 3.47Å; G48-N78 VanDerWaalsContact O-CB 3.3Å; G48-N78 WeakPolarHBondContact O-CB 3.44Å; G48-H79 PolarHBondContact N-CE1 3.04Å; G48-H79 PolarHBondContact N-ND1 3.01Å | ||
| 49 | D | 92.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -66.6 | 129.4 | 173.5 | -70.3 | -33.5 | 0 | 0 | 0 | 107.9 | H20 S44 N45 N47 H53 R57 N78 | H20-D49 PolarHBondContact NE2-O 2.6Å; H20-D49 VanDerWaalsContact NE2-O 3.16Å; S44-D49 CarbonylContact C-O 3.48Å; S44-D49 VanDerWaalsContact CA-O 3.26Å; S44-D49 WeakPolarHBondContact CA-O 3.29Å; N45-D49 PolarHBondContact N-O 2.67Å; N45-D49 WeakPolarHBondContact OD1-CB 3.44Å; N45-D49 PolarHBondContact OD1-N 2.86Å; N45-D49 VanDerWaalsContact OD1-N 3.14Å; N45-D49 PolarHBondContact OD1-O 2.97Å; N47-D49 PolarHBondContact O-N 2.88Å; D49-H53 HydrophobicContact CB-CB 3.86Å; D49-H53 IonicContact OD1-CD2 2.76Å; D49-R57 IonicContact OD1-CZ 2.76Å; D49-R57 IonicContact OD1-NH1 3.6Å; D49-R57 IonicContact OD1-NH2 2.59Å; D49-R57 PolarHBondContact OD1-NH2 2.81Å; D49-R57 IonicContact OD2-CZ 3.97Å; D49-R57 VanDerWaalsContact OD2-CZ 3.31Å; D49-R57 IonicContact OD2-NH1 3.67Å; D49-R57 PolarHBondContact OD2-NH1 3.3Å; D49-R57 IonicContact OD2-NH2 2.82Å; D49-R57 PolarHBondContact OD2-NH2 2.84Å; D49-N78 PolarHBondContact OD1-ND2 2.79Å | ||
| 50 | V | 93.1 | Very high | 91.8 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -92.2 | 165.5 | 171 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | P41 G48 L52 H53 C54 L76 | P41-V50 WeakPolarHBondContact O-CG1 3.2Å; G48-V50 PolarHBondContact O-N 2.84Å; V50-L52 PolarHBondContact O-N 3.43Å; V50-H53 WeakPolarHBondContact CB-ND1 3.34Å; V50-H53 PolarHBondContact N-ND1 2.99Å; V50-H53 WeakPolarHBondContact O-CB 3.46Å; V50-H53 PolarHBondContact O-N 2.78Å; V50-C54 PolarHBondContact O-N 3.13Å; V50-L76 HydrophobicContact CG2-CD1 4.09Å |
| 51 | A | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -49.2 | -33 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L19 C54 A55 L67 | L19-A51 HydrophobicContact CD2-CB 3.76Å; L19-A51 HydrophobicContact CG-CB 3.86Å; A51-C54 PolarHBondContact O-N 3.03Å; A51-A55 WeakPolarHBondContact O-CB 3.39Å; A51-A55 PolarHBondContact O-N 3.05Å; A51-L67 HydrophobicContact CB-CD1 4.26Å; A51-L67 HydrophobicContact CB-CD2 3.9Å; A51-L67 WeakPolarHBondContact O-CD1 3.39Å |
| 52 | L | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.5 | -34 | 177 | -170.2 | 60.3 | 0 | 0 | 0 | 113.6 | V50 A55 A56 V64 L67 L68 A72 P74 P84 | V50-L52 PolarHBondContact O-N 3.43Å; L52-A55 PolarHBondContact O-N 3.06Å; L52-A56 WeakPolarHBondContact O-CB 3.01Å; L52-A56 PolarHBondContact O-N 3.32Å; L52-V64 HydrophobicContact CD1-CB 4.48Å; L52-V64 HydrophobicContact CD1-CG1 4.13Å; L52-V64 HydrophobicContact CD1-CG2 4.38Å; L52-L67 HydrophobicContact CB-CD1 4.29Å; L52-L67 HydrophobicContact CD1-CB 4.01Å; L52-L67 HydrophobicContact CD1-CD1 4.09Å; L52-L68 HydrophobicContact CD1-CD2 4.37Å; L52-L68 HydrophobicContact CD1-CG 4.38Å; L52-L68 HydrophobicContact CD2-CD2 3.75Å; L52-A72 HydrophobicContact CB-CB 4.31Å; L52-A72 HydrophobicContact CD2-CB 4.05Å; L52-P74 HydrophobicContact CD2-CB 4.06Å; L52-P84 HydrophobicContact CB-CG 4.14Å; L52-P84 HydrophobicContact CD2-CB 4.38Å; L52-P84 HydrophobicContact CD2-CG 3.98Å; L52-P84 HydrophobicContact CG-CB 3.89Å; L52-P84 HydrophobicContact CG-CG 3.79Å |
| 53 | H | 94.4 | Very high | 92 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 169.9 | -66.6 | 78.6 | 0 | 0 | 0 | 110.9 | D49 V50 R57 L76 N78 E82 L87 | D49-H53 HydrophobicContact CB-CB 3.86Å; D49-H53 IonicContact OD1-CD2 2.76Å; V50-H53 WeakPolarHBondContact CB-ND1 3.34Å; V50-H53 PolarHBondContact N-ND1 2.99Å; V50-H53 WeakPolarHBondContact O-CB 3.46Å; V50-H53 PolarHBondContact O-N 2.78Å; H53-R57 VanDerWaalsContact O-CB 3.25Å; H53-R57 WeakPolarHBondContact O-CB 3.47Å; H53-R57 PolarHBondContact O-N 3.42Å; H53-L76 PolarHBondContact CE1-O 2.94Å; H53-L76 PolarHBondContact NE2-O 3.22Å; H53-N78 PolarHBondContact NE2-N 3.33Å; H53-E82 PolarHBondContact CD2-O 3.09Å; H53-E82 PolarHBondContact NE2-O 2.76Å; H53-L87 HydrophobicContact CB-CD1 3.6Å |
| 54 | C | 92.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 174.7 | -71.4 | 0 | 0 | 0 | 0 | 112.3 | C23 V24 V50 A51 R57 V58 | C23-C54 HydrophobicContact CB-CB 3.98Å; V24-C54 HydrophobicContact CG2-CB 3.72Å; V50-C54 PolarHBondContact O-N 3.13Å; A51-C54 PolarHBondContact O-N 3.03Å; C54-R57 PolarHBondContact O-N 2.8Å; C54-V58 WeakPolarHBondContact O-CG2 3.42Å; C54-V58 PolarHBondContact O-N 3.13Å; C54-V58 VanDerWaalsContact O-N 3.15Å |
| 55 | A | 92.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C23 A51 L52 V58 G59 C60 I63 V64 L67 | C23-A55 HydrophobicContact CB-CB 4.48Å; A51-A55 WeakPolarHBondContact O-CB 3.39Å; A51-A55 PolarHBondContact O-N 3.05Å; L52-A55 PolarHBondContact O-N 3.06Å; A55-V58 PolarHBondContact O-N 3.38Å; A55-G59 PolarHBondContact O-N 3.04Å; A55-C60 PolarHBondContact O-N 2.74Å; A55-I63 HydrophobicContact CB-CB 4.28Å; A55-I63 HydrophobicContact CB-CG2 3.47Å; A55-I63 VanDerWaalsContact CB-CG2 3.47Å; A55-V64 HydrophobicContact CB-CG2 3.74Å; A55-L67 HydrophobicContact CB-CD1 3.52Å |
| 56 | A | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.3 | -39 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L52 V58 G59 P84 C88 L97 | L52-A56 WeakPolarHBondContact O-CB 3.01Å; L52-A56 PolarHBondContact O-N 3.32Å; A56-V58 PolarHBondContact O-N 3.22Å; A56-G59 PolarHBondContact O-N 3.23Å; A56-G59 VanDerWaalsContact O-N 3.07Å; A56-P84 HydrophobicContact CB-CB 4Å; A56-P84 WeakPolarHBondContact CB-O 3.47Å; A56-C88 HydrophobicContact CB-CB 4.44Å; A56-L97 HydrophobicContact CB-CD1 3.81Å |
| 57 | R | 91.9 | Very high | 92.1 | Very high | 85 Ų | 85 | 23.2 Ų | 23.2 | 32% | 0.321 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -60.2 | -31.9 | 173.9 | -172.5 | 179.8 | -67.1 | 140.5 | -4.1 | 113.1 | D49 H53 C54 L87 | D49-R57 IonicContact OD1-CZ 2.76Å; D49-R57 IonicContact OD1-NH1 3.6Å; D49-R57 IonicContact OD1-NH2 2.59Å; D49-R57 PolarHBondContact OD1-NH2 2.81Å; D49-R57 IonicContact OD2-CZ 3.97Å; D49-R57 VanDerWaalsContact OD2-CZ 3.31Å; D49-R57 IonicContact OD2-NH1 3.67Å; D49-R57 PolarHBondContact OD2-NH1 3.3Å; D49-R57 IonicContact OD2-NH2 2.82Å; D49-R57 PolarHBondContact OD2-NH2 2.84Å; H53-R57 VanDerWaalsContact O-CB 3.25Å; H53-R57 WeakPolarHBondContact O-CB 3.47Å; H53-R57 PolarHBondContact O-N 3.42Å; C54-R57 PolarHBondContact O-N 2.8Å; R57-L87 WeakPolarHBondContact CA-O 3.45Å; R57-L87 HydrophobicContact CB-CB 4.39Å |
| 58 | V | 91.4 | Very high | 92.2 | Very high | 53 Ų | 53 | 21 Ų | 21 | 32% | 0.321 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -82.5 | -16.8 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 113.1 | N26 C54 A55 A56 C60 | N26-V58 HydrophobicContact CB-CG1 4.02Å; C54-V58 WeakPolarHBondContact O-CG2 3.42Å; C54-V58 PolarHBondContact O-N 3.13Å; C54-V58 VanDerWaalsContact O-N 3.15Å; A55-V58 PolarHBondContact O-N 3.38Å; A56-V58 PolarHBondContact O-N 3.22Å; V58-C60 HydrophobicContact CG1-CB 4Å; V58-C60 PolarHBondContact O-N 2.79Å |
| 59 | G | 90.3 | Very high | 92.2 | Very high | 17 Ų | 17 | 27.5 Ų | 27.5 | 18% | 0.175 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 9.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A55 A56 L61 V93 | A55-G59 PolarHBondContact O-N 3.04Å; A56-G59 PolarHBondContact O-N 3.23Å; A56-G59 VanDerWaalsContact O-N 3.07Å; G59-L61 PolarHBondContact O-N 2.84Å; G59-V93 VanDerWaalsContact O-CG2 3.22Å; G59-V93 WeakPolarHBondContact O-CG2 3.14Å |
| 60 | C | 89.2 | Confident | 92 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 10% | 0.095 | 13% | 0.132 | C | C | . | . | trans | -81.5 | 93.5 | -178.7 | -175.2 | 0 | 0 | 0 | 0 | 112 | N26 A55 V58 R62 I63 V64 | N26-C60 WeakPolarHBondContact OD1-CB 3.42Å; N26-C60 PolarHBondContact OD1-SG 2.89Å; A55-C60 PolarHBondContact O-N 2.74Å; V58-C60 HydrophobicContact CG1-CB 4Å; V58-C60 PolarHBondContact O-N 2.79Å; C60-R62 PolarHBondContact O-N 3.3Å; C60-R62 VanDerWaalsContact O-N 3.09Å; C60-I63 HydrophobicContact CB-CB 4.13Å; C60-I63 HydrophobicContact CB-CD1 3.98Å; C60-I63 HydrophobicContact CB-CG1 4.14Å; C60-I63 PolarHBondContact O-N 3.43Å; C60-V64 PolarHBondContact O-N 2.66Å | ||
| 61 | L | 91.4 | Very high | 91.7 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 9% | 0.094 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -52.7 | -32.3 | 176.6 | -174.8 | 58.8 | 0 | 0 | 0 | 113.7 | G59 R65 E92 V93 F96 | G59-L61 PolarHBondContact O-N 2.84Å; L61-R65 HydrophobicContact CD1-CG 4.2Å; L61-R65 HydrophobicContact CG-CG 4.36Å; L61-R65 VanDerWaalsContact O-CB 3.27Å; L61-R65 WeakPolarHBondContact O-CB 3.42Å; L61-R65 VanDerWaalsContact O-CG 3.24Å; L61-R65 WeakPolarHBondContact O-CG 3.4Å; L61-R65 PolarHBondContact O-N 2.95Å; L61-E92 HydrophobicContact CD2-CG 3.76Å; L61-E92 WeakPolarHBondContact CD2-OE1 3.2Å; L61-E92 WeakPolarHBondContact CD2-OE2 3.23Å; L61-V93 HydrophobicContact CB-CG2 3.69Å; L61-V93 HydrophobicContact CD1-CG2 4.09Å; L61-V93 HydrophobicContact CG-CG2 4.45Å; L61-F96 HydrophobicContact CD1-CB 3.79Å; L61-F96 HydrophobicContact CD1-CD1 3.47Å; L61-F96 VanDerWaalsContact CD1-CD1 3.47Å; L61-F96 HydrophobicContact CD1-CE1 4.2Å; L61-F96 HydrophobicContact CD1-CG 3.68Å |
| 62 | R | 90.7 | Very high | 91.5 | Very high | 154 Ų | 154 | 37.1 Ų | 37.1 | 58% | 0.581 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -67.8 | -35.4 | 177.3 | -64.1 | 177.8 | 63.5 | -171.5 | 0.8 | 112.5 | P28 C60 A66 M133 | P28-R62 HydrophobicContact CB-CB 4.35Å; C60-R62 PolarHBondContact O-N 3.3Å; C60-R62 VanDerWaalsContact O-N 3.09Å; R62-A66 WeakPolarHBondContact O-CB 3.17Å; R62-A66 PolarHBondContact O-N 3.44Å; R62-M133 WeakPolarHBondContact O-CE 3.3Å |
| 63 | I | 94 | Very high | 91.2 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -77.3 | -42.5 | 176.6 | -67.6 | 174.8 | 0 | 0 | 0 | 109.8 | C23 P28 V31 A55 C60 R65 A66 L67 | C23-I63 HydrophobicContact CB-CG2 4.14Å; C23-I63 VanDerWaalsContact SG-CG2 3.56Å; P28-I63 HydrophobicContact CB-CD1 4.49Å; P28-I63 HydrophobicContact CB-CG1 3.89Å; V31-I63 HydrophobicContact CG1-CG2 4.2Å; V31-I63 HydrophobicContact CG2-CD1 4.25Å; V31-I63 HydrophobicContact CG2-CG1 4.24Å; V31-I63 HydrophobicContact CG2-CG2 4.09Å; A55-I63 HydrophobicContact CB-CB 4.28Å; A55-I63 HydrophobicContact CB-CG2 3.47Å; A55-I63 VanDerWaalsContact CB-CG2 3.47Å; C60-I63 HydrophobicContact CB-CB 4.13Å; C60-I63 HydrophobicContact CB-CD1 3.98Å; C60-I63 HydrophobicContact CB-CG1 4.14Å; C60-I63 PolarHBondContact O-N 3.43Å; I63-R65 PolarHBondContact O-N 3.38Å; I63-A66 WeakPolarHBondContact O-CB 3.43Å; I63-A66 PolarHBondContact O-N 2.72Å; I63-A66 VanDerWaalsContact O-N 3.14Å; I63-L67 HydrophobicContact CG2-CD1 3.96Å; I63-L67 HydrophobicContact CG2-CG 4.46Å; I63-L67 WeakPolarHBondContact O-CG 3.42Å; I63-L67 PolarHBondContact O-N 2.95Å |
| 64 | V | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 174.2 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | L52 A55 C60 A66 L67 L68 V93 F96 L97 | L52-V64 HydrophobicContact CD1-CB 4.48Å; L52-V64 HydrophobicContact CD1-CG1 4.13Å; L52-V64 HydrophobicContact CD1-CG2 4.38Å; A55-V64 HydrophobicContact CB-CG2 3.74Å; C60-V64 PolarHBondContact O-N 2.66Å; V64-A66 VanDerWaalsContact C-N 3.32Å; V64-A66 PolarHBondContact O-N 2.99Å; V64-L67 PolarHBondContact O-N 2.94Å; V64-L68 HydrophobicContact CG1-CD1 3.94Å; V64-L68 HydrophobicContact CG1-CG 4.43Å; V64-L68 WeakPolarHBondContact O-CG 3.28Å; V64-L68 PolarHBondContact O-N 3.02Å; V64-V93 HydrophobicContact CB-CG1 4.42Å; V64-V93 HydrophobicContact CG1-CG1 4.35Å; V64-V93 HydrophobicContact CG2-CG1 3.85Å; V64-F96 HydrophobicContact CG1-CD1 4.15Å; V64-F96 HydrophobicContact CG1-CE1 4.44Å; V64-L97 HydrophobicContact CG1-CD2 3.88Å; V64-L97 HydrophobicContact CG1-CG 4.1Å |
| 65 | R | 92.3 | Very high | 90.8 | Very high | 69 Ų | 69 | 42 Ų | 42 | 26% | 0.26 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 173.9 | -77.3 | 175.5 | -178.1 | -179.7 | 8.1 | 112.7 | L61 I63 Y69 E92 F96 M133 F136 | L61-R65 HydrophobicContact CD1-CG 4.2Å; L61-R65 HydrophobicContact CG-CG 4.36Å; L61-R65 VanDerWaalsContact O-CB 3.27Å; L61-R65 WeakPolarHBondContact O-CB 3.42Å; L61-R65 VanDerWaalsContact O-CG 3.24Å; L61-R65 WeakPolarHBondContact O-CG 3.4Å; L61-R65 PolarHBondContact O-N 2.95Å; I63-R65 PolarHBondContact O-N 3.38Å; R65-Y69 VanDerWaalsContact O-CB 3.22Å; R65-Y69 WeakPolarHBondContact O-CB 3.35Å; R65-Y69 PolarHBondContact O-N 2.94Å; R65-E92 IonicContact NH2-OE1 3.16Å; R65-F96 HydrophobicContact CB-CE1 4.37Å; R65-F96 HydrophobicContact CG-CD1 4.18Å; R65-F96 HydrophobicContact CG-CE1 3.36Å; R65-F96 HydrophobicContact CG-CE2 4.46Å; R65-F96 HydrophobicContact CG-CZ 3.55Å; R65-M133 HydrophobicContact CB-CE 3.62Å; R65-F136 PolarHBondContact NH1-O 3.2Å |
| 66 | A | 91.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.4 | -48.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V31 L35 R62 I63 V64 L68 Y69 Y70 M133 | V31-A66 HydrophobicContact CG1-CB 4.26Å; L35-A66 HydrophobicContact CD1-CB 4.29Å; R62-A66 WeakPolarHBondContact O-CB 3.17Å; R62-A66 PolarHBondContact O-N 3.44Å; I63-A66 WeakPolarHBondContact O-CB 3.43Å; I63-A66 PolarHBondContact O-N 2.72Å; I63-A66 VanDerWaalsContact O-N 3.14Å; V64-A66 VanDerWaalsContact C-N 3.32Å; V64-A66 PolarHBondContact O-N 2.99Å; A66-L68 PolarHBondContact O-N 3.17Å; A66-Y69 PolarHBondContact O-N 2.96Å; A66-Y70 WeakPolarHBondContact O-CD2 3.22Å; A66-Y70 PolarHBondContact O-N 2.71Å; A66-M133 HydrophobicContact CB-CE 4.08Å; A66-M133 HydrophobicContact CB-SD 3.85Å |
| 67 | L | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 179.9 | -71.5 | 168.3 | 0 | 0 | 0 | 112.3 | L19 L35 P41 A51 L52 A55 I63 V64 Y69 Y70 N71 A72 | L19-L67 HydrophobicContact CD1-CD2 4.4Å; L19-L67 HydrophobicContact CD2-CD2 4.13Å; L19-L67 HydrophobicContact CG-CD2 4.47Å; L35-L67 HydrophobicContact CD1-CD2 4.03Å; L35-L67 HydrophobicContact CD2-CD2 4.16Å; P41-L67 HydrophobicContact CB-CD2 3.84Å; A51-L67 HydrophobicContact CB-CD1 4.26Å; A51-L67 HydrophobicContact CB-CD2 3.9Å; A51-L67 WeakPolarHBondContact O-CD1 3.39Å; L52-L67 HydrophobicContact CB-CD1 4.29Å; L52-L67 HydrophobicContact CD1-CB 4.01Å; L52-L67 HydrophobicContact CD1-CD1 4.09Å; A55-L67 HydrophobicContact CB-CD1 3.52Å; I63-L67 HydrophobicContact CG2-CD1 3.96Å; I63-L67 HydrophobicContact CG2-CG 4.46Å; I63-L67 WeakPolarHBondContact O-CG 3.42Å; I63-L67 PolarHBondContact O-N 2.95Å; V64-L67 PolarHBondContact O-N 2.94Å; L67-Y69 VanDerWaalsContact C-N 3.33Å; L67-Y69 PolarHBondContact O-N 2.72Å; L67-Y70 CarbonylContact O-C 3.22Å; L67-Y70 VanDerWaalsContact O-C 3.31Å; L67-Y70 WeakPolarHBondContact O-CA 3.39Å; L67-Y70 PolarHBondContact O-N 3.05Å; L67-Y70 VanDerWaalsContact O-N 3.09Å; L67-N71 PolarHBondContact O-N 3.12Å; L67-A72 HydrophobicContact CB-CB 3.83Å; L67-A72 WeakPolarHBondContact O-CB 3.12Å; L67-A72 PolarHBondContact O-N 2.65Å |
| 68 | L | 92.1 | Very high | 90.4 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.063 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -38 | 176.2 | -66.6 | 176.3 | 0 | 0 | 0 | 112.2 | L52 V64 A66 Y70 N71 A72 P74 F96 L97 H100 | L52-L68 HydrophobicContact CD1-CD2 4.37Å; L52-L68 HydrophobicContact CD1-CG 4.38Å; L52-L68 HydrophobicContact CD2-CD2 3.75Å; V64-L68 HydrophobicContact CG1-CD1 3.94Å; V64-L68 HydrophobicContact CG1-CG 4.43Å; V64-L68 WeakPolarHBondContact O-CG 3.28Å; V64-L68 PolarHBondContact O-N 3.02Å; A66-L68 PolarHBondContact O-N 3.17Å; L68-Y70 VanDerWaalsContact C-N 3.25Å; L68-Y70 PolarHBondContact O-N 2.85Å; L68-N71 PolarHBondContact O-N 3Å; L68-A72 WeakPolarHBondContact CD2-O 3.29Å; L68-P74 HydrophobicContact CD2-CB 4.08Å; L68-P74 HydrophobicContact CD2-CG 4.21Å; L68-F96 HydrophobicContact CD1-CD1 4.32Å; L68-F96 HydrophobicContact CD1-CE1 3.81Å; L68-L97 HydrophobicContact CD1-CD2 4.23Å; L68-H100 HydrophobicContact CD1-CB 4.22Å |
| 69 | Y | 90.3 | Very high | 90.3 | Very high | 142 Ų | 142 | 49 Ų | 49 | 56% | 0.557 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.1 | -27.7 | 173.7 | 176.9 | -89.7 | 0 | 0 | 0 | 113 | R65 A66 L67 N71 | R65-Y69 VanDerWaalsContact O-CB 3.22Å; R65-Y69 WeakPolarHBondContact O-CB 3.35Å; R65-Y69 PolarHBondContact O-N 2.94Å; A66-Y69 PolarHBondContact O-N 2.96Å; L67-Y69 VanDerWaalsContact C-N 3.33Å; L67-Y69 PolarHBondContact O-N 2.72Å; Y69-N71 VanDerWaalsContact C-N 3.29Å |
| 70 | Y | 89.2 | Confident | 90.3 | Very high | 58 Ų | 58 | 56.4 Ų | 56.4 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 25.6 | 171.1 | -79.2 | -83.4 | 0 | 0 | 0 | 113.1 | L35 R36 P41 A66 L67 L68 A72 | L35-Y70 HydrophobicContact CB-CD1 3.94Å; L35-Y70 HydrophobicContact CB-CD2 3.6Å; L35-Y70 HydrophobicContact CB-CE1 4.1Å; L35-Y70 HydrophobicContact CB-CE2 3.79Å; L35-Y70 HydrophobicContact CB-CG 3.7Å; L35-Y70 HydrophobicContact CD1-CD2 3.6Å; L35-Y70 HydrophobicContact CD1-CE2 4.32Å; L35-Y70 HydrophobicContact CD1-CG 4.02Å; L35-Y70 HydrophobicContact CD2-CG 4.31Å; L35-Y70 HydrophobicContact CG-CD2 4.13Å; L35-Y70 HydrophobicContact CG-CG 4.22Å; R36-Y70 WeakPolarHBondContact CG-OH 3.13Å; P41-Y70 WeakPolarHBondContact CG-O 3.45Å; A66-Y70 WeakPolarHBondContact O-CD2 3.22Å; A66-Y70 PolarHBondContact O-N 2.71Å; L67-Y70 CarbonylContact O-C 3.22Å; L67-Y70 VanDerWaalsContact O-C 3.31Å; L67-Y70 WeakPolarHBondContact O-CA 3.39Å; L67-Y70 PolarHBondContact O-N 3.05Å; L67-Y70 VanDerWaalsContact O-N 3.09Å; L68-Y70 VanDerWaalsContact C-N 3.25Å; L68-Y70 PolarHBondContact O-N 2.85Å; Y70-A72 VanDerWaalsContact C-N 3.35Å; Y70-A72 PolarHBondContact O-N 3.16Å |
| 71 | N | 85.3 | Confident | 90.2 | Very high | 147 Ų | 147 | 58 Ų | 58 | 79% | 0.786 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 29.4 | 175.5 | -59.5 | -1.7 | 0 | 0 | 0 | 115.5 | L67 L68 Y69 D73 | L67-N71 PolarHBondContact O-N 3.12Å; L68-N71 PolarHBondContact O-N 3Å; Y69-N71 VanDerWaalsContact C-N 3.29Å; N71-D73 PolarHBondContact O-N 2.91Å |
| 72 | A | 89.2 | Confident | 90.1 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | trans | -62.9 | 125.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P41 L52 L67 L68 Y70 P74 | P41-A72 HydrophobicContact CB-CB 3.98Å; P41-A72 HydrophobicContact CG-CB 4.36Å; L52-A72 HydrophobicContact CB-CB 4.31Å; L52-A72 HydrophobicContact CD2-CB 4.05Å; L67-A72 HydrophobicContact CB-CB 3.83Å; L67-A72 WeakPolarHBondContact O-CB 3.12Å; L67-A72 PolarHBondContact O-N 2.65Å; L68-A72 WeakPolarHBondContact CD2-O 3.29Å; Y70-A72 VanDerWaalsContact C-N 3.35Å; Y70-A72 PolarHBondContact O-N 3.16Å; A72-P74 WeakPolarHBondContact O-CD 3.49Å | ||
| 73 | D | 88.5 | Confident | 90.2 | Very high | 65 Ų | 65 | 56.2 Ų | 56.2 | 35% | 0.348 | 28% | 0.276 | S | S | . | . | trans | -79.2 | 116.6 | -178.5 | 176 | 14.4 | 0 | 0 | 0 | 111.4 | N71 L75 L76 | N71-D73 PolarHBondContact O-N 2.91Å; D73-L75 PolarHBondContact O-N 3.36Å; D73-L75 VanDerWaalsContact OD1-CB 3.28Å; D73-L75 WeakPolarHBondContact OD1-CB 3.44Å; D73-L75 PolarHBondContact OD1-N 3.21Å; D73-L76 HydrophobicContact CB-CD1 4.01Å; D73-L76 HydrophobicContact CB-CG 3.9Å | ||
| 74 | P | 88.2 | Confident | 89.9 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -5.6 | 178.2 | 35.5 | -40.1 | 0 | 0 | 0 | 113.9 | L52 L68 A72 L97 T101 | L52-P74 HydrophobicContact CD2-CB 4.06Å; L68-P74 HydrophobicContact CD2-CB 4.08Å; L68-P74 HydrophobicContact CD2-CG 4.21Å; A72-P74 WeakPolarHBondContact O-CD 3.49Å; P74-L97 HydrophobicContact CB-CD2 4.3Å; P74-T101 HydrophobicContact CB-CG2 3.67Å; P74-T101 HydrophobicContact CG-CG2 3.83Å |
| 75 | L | 88.9 | Confident | 89.8 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 19% | 0.194 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -14.2 | -179.5 | -55.9 | 177.8 | 0 | 0 | 0 | 113 | D73 S77 K83 T101 M108 | D73-L75 PolarHBondContact O-N 3.36Å; D73-L75 VanDerWaalsContact OD1-CB 3.28Å; D73-L75 WeakPolarHBondContact OD1-CB 3.44Å; D73-L75 PolarHBondContact OD1-N 3.21Å; L75-S77 PolarHBondContact O-N 3.41Å; L75-K83 PolarHBondContact O-NZ 2.92Å; L75-T101 HydrophobicContact CD2-CG2 3.87Å; L75-M108 HydrophobicContact CD1-SD 3.96Å |
| 76 | L | 87.2 | Confident | 89.8 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 34% | 0.335 | 30% | 0.299 | S | S | . | . | trans | -59.8 | 130.6 | 177.5 | -67 | 174.1 | 0 | 0 | 0 | 111.5 | V50 H53 D73 P84 | V50-L76 HydrophobicContact CG2-CD1 4.09Å; H53-L76 PolarHBondContact CE1-O 2.94Å; H53-L76 PolarHBondContact NE2-O 3.22Å; D73-L76 HydrophobicContact CB-CD1 4.01Å; D73-L76 HydrophobicContact CB-CG 3.9Å; L76-P84 WeakPolarHBondContact O-CD 3.44Å | ||
| 77 | S | 90.9 | Very high | 89.7 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 49% | 0.49 | 30% | 0.302 | S | S | . | . | trans | -102.2 | 139.4 | 173.3 | 54 | 0 | 0 | 0 | 0 | 111 | L75 E82 | L75-S77 PolarHBondContact O-N 3.41Å; S77-E82 CarbonylContact C-O 3.59Å; S77-E82 VanDerWaalsContact CA-O 3.31Å; S77-E82 WeakPolarHBondContact CA-O 3.21Å | ||
| 78 | N | 91 | Very high | 89.5 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.032 | 31% | 0.309 | C | S | . | . | trans | -74.2 | -177.4 | 174.3 | 72.1 | 6 | 0 | 0 | 0 | 111.8 | N47 G48 D49 H53 R80 G81 E82 | N47-N78 WeakPolarHBondContact O-CB 3.27Å; G48-N78 VanDerWaalsContact O-CA 3.3Å; G48-N78 WeakPolarHBondContact O-CA 3.47Å; G48-N78 VanDerWaalsContact O-CB 3.3Å; G48-N78 WeakPolarHBondContact O-CB 3.44Å; D49-N78 PolarHBondContact OD1-ND2 2.79Å; H53-N78 PolarHBondContact NE2-N 3.33Å; N78-R80 PolarHBondContact O-N 2.77Å; N78-R80 VanDerWaalsContact O-N 3.08Å; N78-R80 WeakPolarHBondContact OD1-CA 3.43Å; N78-R80 VanDerWaalsContact OD1-CB 3.27Å; N78-R80 WeakPolarHBondContact OD1-CB 3.13Å; N78-R80 PolarHBondContact OD1-N 2.99Å; N78-G81 PolarHBondContact O-N 3.27Å; N78-G81 PolarHBondContact OD1-N 3.31Å; N78-E82 PolarHBondContact N-O 2.79Å; N78-E82 PolarHBondContact ND2-OE2 3.37Å; N78-E82 WeakPolarHBondContact OD1-CB 3.43Å; N78-E82 PolarHBondContact OD1-N 2.85Å; N78-E82 PolarHBondContact OD1-O 2.87Å | ||
| 79 | H | 90.4 | Very high | 89.3 | Confident | 145 Ų | 145 | 68.5 Ų | 68.5 | 67% | 0.671 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -6.8 | 178.7 | -60.3 | 156.1 | 0 | 0 | 0 | 114.1 | I46 N47 G48 | I46-H79 PolarHBondContact O-CE1 3.21Å; I46-H79 PolarHBondContact O-ND1 2.87Å; N47-H79 VanDerWaalsContact C-ND1 3.31Å; N47-H79 VanDerWaalsContact O-CB 3.23Å; N47-H79 WeakPolarHBondContact O-CB 3.45Å; N47-H79 PolarHBondContact O-N 2.9Å; G48-H79 PolarHBondContact N-CE1 3.04Å; G48-H79 PolarHBondContact N-ND1 3.01Å |
| 80 | R | 88.8 | Confident | 89.2 | Confident | 172 Ų | 172 | 64.3 Ų | 64.3 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -7.4 | 172 | -58.9 | 162.7 | 173.6 | -88.9 | -6.2 | 112.3 | N78 E82 | N78-R80 PolarHBondContact O-N 2.77Å; N78-R80 VanDerWaalsContact O-N 3.08Å; N78-R80 WeakPolarHBondContact OD1-CA 3.43Å; N78-R80 VanDerWaalsContact OD1-CB 3.27Å; N78-R80 WeakPolarHBondContact OD1-CB 3.13Å; N78-R80 PolarHBondContact OD1-N 2.99Å; R80-E82 VanDerWaalsContact C-N 3.32Å; R80-E82 VanDerWaalsContact CB-CD 3.49Å; R80-E82 HydrophobicContact CB-CG 3.85Å; R80-E82 WeakPolarHBondContact CD-OE1 3.36Å; R80-E82 WeakPolarHBondContact CD-OE2 3.33Å |
| 81 | G | 87.8 | Confident | 89.2 | Confident | 49 Ų | 49 | 66.6 Ų | 66.6 | 51% | 0.505 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 86.4 | -1.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N78 | N78-G81 PolarHBondContact O-N 3.27Å; N78-G81 PolarHBondContact OD1-N 3.31Å |
| 82 | E | 90.3 | Very high | 89.4 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | trans | -78.8 | 131.2 | -176 | -55.7 | 155.6 | 167.3 | 0 | 0 | 110.2 | H53 S77 N78 R80 D86 L87 | H53-E82 PolarHBondContact CD2-O 3.09Å; H53-E82 PolarHBondContact NE2-O 2.76Å; S77-E82 CarbonylContact C-O 3.59Å; S77-E82 VanDerWaalsContact CA-O 3.31Å; S77-E82 WeakPolarHBondContact CA-O 3.21Å; N78-E82 PolarHBondContact N-O 2.79Å; N78-E82 PolarHBondContact ND2-OE2 3.37Å; N78-E82 WeakPolarHBondContact OD1-CB 3.43Å; N78-E82 PolarHBondContact OD1-N 2.85Å; N78-E82 PolarHBondContact OD1-O 2.87Å; R80-E82 VanDerWaalsContact C-N 3.32Å; R80-E82 VanDerWaalsContact CB-CD 3.49Å; R80-E82 HydrophobicContact CB-CG 3.85Å; R80-E82 WeakPolarHBondContact CD-OE1 3.36Å; R80-E82 WeakPolarHBondContact CD-OE2 3.33Å; E82-D86 HydrophobicContact CB-CB 4.31Å; E82-L87 HydrophobicContact CB-CD2 4.48Å; E82-L87 HydrophobicContact CB-CG 4.35Å | ||
| 83 | K | 90.9 | Very high | 89.5 | Confident | 79 Ų | 79 | 64.2 Ų | 64.2 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | trans | -82.5 | 164.9 | 167.1 | -61.3 | -179.7 | -176.8 | -58 | 0 | 109.8 | L75 L85 D86 L87 | L75-K83 PolarHBondContact O-NZ 2.92Å; K83-L85 PolarHBondContact O-N 2.89Å; K83-L85 VanDerWaalsContact O-N 3.15Å; K83-D86 WeakPolarHBondContact CB-OD2 3.34Å; K83-D86 PolarHBondContact N-OD2 3.3Å; K83-D86 PolarHBondContact O-N 2.86Å; K83-L87 PolarHBondContact O-N 3.47Å | ||
| 84 | P | 89.3 | Confident | 89.6 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -53.3 | -35.3 | 171.8 | -27.5 | 35.5 | 0 | 0 | 0 | 113.1 | L52 A56 L76 D86 L87 L97 | L52-P84 HydrophobicContact CB-CG 4.14Å; L52-P84 HydrophobicContact CD2-CB 4.38Å; L52-P84 HydrophobicContact CD2-CG 3.98Å; L52-P84 HydrophobicContact CG-CB 3.89Å; L52-P84 HydrophobicContact CG-CG 3.79Å; A56-P84 HydrophobicContact CB-CB 4Å; A56-P84 WeakPolarHBondContact CB-O 3.47Å; L76-P84 WeakPolarHBondContact O-CD 3.44Å; P84-D86 VanDerWaalsContact C-N 3.3Å; P84-D86 PolarHBondContact O-N 3.29Å; P84-L87 PolarHBondContact O-N 2.91Å; P84-L97 HydrophobicContact CB-CD1 4.36Å |
| 85 | L | 91.6 | Very high | 89.7 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -62.4 | -34.5 | 176.4 | 179 | 59.9 | 0 | 0 | 0 | 113.2 | K83 L87 C88 S94 L97 K98 | K83-L85 PolarHBondContact O-N 2.89Å; K83-L85 VanDerWaalsContact O-N 3.15Å; L85-L87 VanDerWaalsContact C-N 3.29Å; L85-L87 PolarHBondContact O-N 3.5Å; L85-C88 VanDerWaalsContact O-CB 3.27Å; L85-C88 WeakPolarHBondContact O-CB 3.47Å; L85-C88 PolarHBondContact O-N 3.3Å; L85-S94 WeakPolarHBondContact CD1-O 3.21Å; L85-L97 HydrophobicContact CB-CB 4.41Å; L85-L97 HydrophobicContact CD1-CB 3.91Å; L85-K98 HydrophobicContact CD1-CD 4.42Å; L85-K98 HydrophobicContact CD1-CG 3.88Å; L85-K98 HydrophobicContact CD2-CG 3.69Å; L85-K98 HydrophobicContact CG-CG 4.45Å |
| 86 | D | 90.7 | Very high | 89.7 | Confident | 104 Ų | 104 | 65.1 Ų | 65.1 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -77.9 | -18.4 | -176 | -51.9 | -40.4 | 0 | 0 | 0 | 112.2 | E82 K83 P84 | E82-D86 HydrophobicContact CB-CB 4.31Å; K83-D86 WeakPolarHBondContact CB-OD2 3.34Å; K83-D86 PolarHBondContact N-OD2 3.3Å; K83-D86 PolarHBondContact O-N 2.86Å; P84-D86 VanDerWaalsContact C-N 3.3Å; P84-D86 PolarHBondContact O-N 3.29Å |
| 87 | L | 89.6 | Confident | 89.8 | Confident | 18 Ų | 18 | 62 Ų | 62 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -90.4 | -1.7 | 174.7 | -66.7 | 171.9 | 0 | 0 | 0 | 113.5 | H53 R57 E82 K83 P84 L85 H89 | H53-L87 HydrophobicContact CB-CD1 3.6Å; R57-L87 WeakPolarHBondContact CA-O 3.45Å; R57-L87 HydrophobicContact CB-CB 4.39Å; E82-L87 HydrophobicContact CB-CD2 4.48Å; E82-L87 HydrophobicContact CB-CG 4.35Å; K83-L87 PolarHBondContact O-N 3.47Å; P84-L87 PolarHBondContact O-N 2.91Å; L85-L87 VanDerWaalsContact C-N 3.29Å; L85-L87 PolarHBondContact O-N 3.5Å; L87-H89 PolarHBondContact O-N 2.74Å; L87-H89 PolarHBondContact O-ND1 3.07Å; L87-H89 VanDerWaalsContact O-ND1 3.15Å |
| 88 | C | 89.3 | Confident | 89.7 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 14% | 0.142 | 32% | 0.323 | C | S | . | . | trans | -86.9 | 110.1 | -168.2 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | A56 L85 D90 V93 S94 | A56-C88 HydrophobicContact CB-CB 4.44Å; L85-C88 VanDerWaalsContact O-CB 3.27Å; L85-C88 WeakPolarHBondContact O-CB 3.47Å; L85-C88 PolarHBondContact O-N 3.3Å; C88-D90 PolarHBondContact SG-O 3.04Å; C88-V93 VanDerWaalsContact SG-CB 3.54Å; C88-V93 WeakPolarHBondContact SG-CG1 3.48Å; C88-S94 PolarHBondContact SG-N 3.4Å | ||
| 89 | H | 87 | Confident | 89.5 | Confident | 164 Ų | 164 | 66.2 Ų | 66.2 | 76% | 0.759 | 34% | 0.337 | S | S | * | . | trans | -84.6 | -23.5 | 175.7 | -60.7 | 83.3 | 0 | 0 | 0 | 112.8 | L87 | L87-H89 PolarHBondContact O-N 2.74Å; L87-H89 PolarHBondContact O-ND1 3.07Å; L87-H89 VanDerWaalsContact O-ND1 3.15Å | ||
| 90 | D | 89.5 | Confident | 89 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | trans | -85 | 132.9 | -177.3 | -179 | -73.6 | 0 | 0 | 0 | 111.7 | C88 E92 V93 S94 | C88-D90 PolarHBondContact SG-O 3.04Å; D90-E92 WeakPolarHBondContact OD1-CA 3.39Å; D90-E92 WeakPolarHBondContact OD1-CB 3.3Å; D90-E92 PolarHBondContact OD1-N 2.96Å; D90-V93 HydrophobicContact CB-CB 4.13Å; D90-V93 HydrophobicContact CB-CG2 4.16Å; D90-V93 PolarHBondContact OD1-N 2.84Å; D90-S94 VanDerWaalsContact O-CB 3.25Å; D90-S94 WeakPolarHBondContact O-CB 3.47Å; D90-S94 PolarHBondContact O-N 3.15Å | ||
| 91 | P | 88.6 | Confident | 88.7 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 68% | 0.682 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -73.6 | -34.6 | -177.6 | 29.3 | -34.5 | 0 | 0 | 0 | 113.9 | S94 S95 | P91-S94 PolarHBondContact O-N 2.83Å; P91-S95 PolarHBondContact O-N 3.38Å; P91-S95 PolarHBondContact O-OG 2.97Å |
| 92 | E | 90.4 | Very high | 88.2 | Confident | 103 Ų | 103 | 57.8 Ų | 57.8 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.8 | -47.3 | 178 | -162.7 | -170.6 | 175.4 | 0 | 0 | 108.9 | L61 R65 D90 S94 S95 F96 | L61-E92 HydrophobicContact CD2-CG 3.76Å; L61-E92 WeakPolarHBondContact CD2-OE1 3.2Å; L61-E92 WeakPolarHBondContact CD2-OE2 3.23Å; R65-E92 IonicContact NH2-OE1 3.16Å; D90-E92 WeakPolarHBondContact OD1-CA 3.39Å; D90-E92 WeakPolarHBondContact OD1-CB 3.3Å; D90-E92 PolarHBondContact OD1-N 2.96Å; E92-S94 VanDerWaalsContact C-N 3.34Å; E92-S94 PolarHBondContact O-N 3.25Å; E92-S95 PolarHBondContact O-N 2.66Å; E92-S95 PolarHBondContact O-OG 2.78Å; E92-F96 WeakPolarHBondContact O-CB 3.47Å; E92-F96 PolarHBondContact O-N 2.82Å |
| 93 | V | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 175 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | G59 L61 V64 C88 D90 F96 L97 | G59-V93 VanDerWaalsContact O-CG2 3.22Å; G59-V93 WeakPolarHBondContact O-CG2 3.14Å; L61-V93 HydrophobicContact CB-CG2 3.69Å; L61-V93 HydrophobicContact CD1-CG2 4.09Å; L61-V93 HydrophobicContact CG-CG2 4.45Å; V64-V93 HydrophobicContact CB-CG1 4.42Å; V64-V93 HydrophobicContact CG1-CG1 4.35Å; V64-V93 HydrophobicContact CG2-CG1 3.85Å; C88-V93 VanDerWaalsContact SG-CB 3.54Å; C88-V93 WeakPolarHBondContact SG-CG1 3.48Å; D90-V93 HydrophobicContact CB-CB 4.13Å; D90-V93 HydrophobicContact CB-CG2 4.16Å; D90-V93 PolarHBondContact OD1-N 2.84Å; V93-F96 PolarHBondContact O-N 2.88Å; V93-L97 HydrophobicContact CG1-CD1 3.86Å; V93-L97 HydrophobicContact CG1-CG 4.3Å; V93-L97 WeakPolarHBondContact O-CB 3.28Å; V93-L97 PolarHBondContact O-N 3.31Å |
| 94 | S | 91.1 | Very high | 86.1 | Confident | 18 Ų | 18 | 57.1 Ų | 57.1 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 175.5 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | L85 C88 D90 P91 E92 K98 | L85-S94 WeakPolarHBondContact CD1-O 3.21Å; C88-S94 PolarHBondContact SG-N 3.4Å; D90-S94 VanDerWaalsContact O-CB 3.25Å; D90-S94 WeakPolarHBondContact O-CB 3.47Å; D90-S94 PolarHBondContact O-N 3.15Å; P91-S94 PolarHBondContact O-N 2.83Å; E92-S94 VanDerWaalsContact C-N 3.34Å; E92-S94 PolarHBondContact O-N 3.25Å; S94-K98 WeakPolarHBondContact O-CB 3.18Å; S94-K98 WeakPolarHBondContact O-CD 3.45Å; S94-K98 VanDerWaalsContact O-CG 3.29Å; S94-K98 WeakPolarHBondContact O-CG 3.35Å; S94-K98 PolarHBondContact O-N 3.23Å; S94-K98 PolarHBondContact OG-NZ 3.21Å |
| 95 | S | 89.4 | Confident | 84.7 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 174.9 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | P91 E92 K98 Q99 | P91-S95 PolarHBondContact O-N 3.38Å; P91-S95 PolarHBondContact O-OG 2.97Å; E92-S95 PolarHBondContact O-N 2.66Å; E92-S95 PolarHBondContact O-OG 2.78Å; S95-K98 PolarHBondContact O-N 3.26Å; S95-Q99 PolarHBondContact O-N 2.77Å |
| 96 | F | 90.3 | Very high | 83 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71 | -40.1 | -177.2 | -173 | -110.8 | 0 | 0 | 0 | 112.1 | L61 V64 R65 L68 E92 V93 H100 | L61-F96 HydrophobicContact CD1-CB 3.79Å; L61-F96 HydrophobicContact CD1-CD1 3.47Å; L61-F96 VanDerWaalsContact CD1-CD1 3.47Å; L61-F96 HydrophobicContact CD1-CE1 4.2Å; L61-F96 HydrophobicContact CD1-CG 3.68Å; V64-F96 HydrophobicContact CG1-CD1 4.15Å; V64-F96 HydrophobicContact CG1-CE1 4.44Å; R65-F96 HydrophobicContact CB-CE1 4.37Å; R65-F96 HydrophobicContact CG-CD1 4.18Å; R65-F96 HydrophobicContact CG-CE1 3.36Å; R65-F96 HydrophobicContact CG-CE2 4.46Å; R65-F96 HydrophobicContact CG-CZ 3.55Å; L68-F96 HydrophobicContact CD1-CD1 4.32Å; L68-F96 HydrophobicContact CD1-CE1 3.81Å; E92-F96 WeakPolarHBondContact O-CB 3.47Å; E92-F96 PolarHBondContact O-N 2.82Å; V93-F96 PolarHBondContact O-N 2.88Å; F96-H100 WeakPolarHBondContact O-CB 2.93Å; F96-H100 PolarHBondContact O-N 3.14Å |
| 97 | L | 89 | Confident | 81.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 172.5 | -77.4 | 171.5 | 0 | 0 | 0 | 112 | A56 V64 L68 P74 P84 L85 V93 H100 T101 | A56-L97 HydrophobicContact CB-CD1 3.81Å; V64-L97 HydrophobicContact CG1-CD2 3.88Å; V64-L97 HydrophobicContact CG1-CG 4.1Å; L68-L97 HydrophobicContact CD1-CD2 4.23Å; P74-L97 HydrophobicContact CB-CD2 4.3Å; P84-L97 HydrophobicContact CB-CD1 4.36Å; L85-L97 HydrophobicContact CB-CB 4.41Å; L85-L97 HydrophobicContact CD1-CB 3.91Å; V93-L97 HydrophobicContact CG1-CD1 3.86Å; V93-L97 HydrophobicContact CG1-CG 4.3Å; V93-L97 WeakPolarHBondContact O-CB 3.28Å; V93-L97 PolarHBondContact O-N 3.31Å; L97-H100 PolarHBondContact O-N 3.4Å; L97-T101 WeakPolarHBondContact O-CB 3.47Å; L97-T101 WeakPolarHBondContact O-CG2 3.37Å; L97-T101 PolarHBondContact O-N 3Å; L97-T101 PolarHBondContact O-OG1 2.75Å |
| 98 | K | 88.4 | Confident | 78.8 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 40% | 0.404 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.7 | -56.3 | 172.8 | -79.6 | 162.1 | -179.6 | 146.9 | 0 | 111 | L85 S94 S95 H100 T101 E102 | L85-K98 HydrophobicContact CD1-CD 4.42Å; L85-K98 HydrophobicContact CD1-CG 3.88Å; L85-K98 HydrophobicContact CD2-CG 3.69Å; L85-K98 HydrophobicContact CG-CG 4.45Å; S94-K98 WeakPolarHBondContact O-CB 3.18Å; S94-K98 WeakPolarHBondContact O-CD 3.45Å; S94-K98 VanDerWaalsContact O-CG 3.29Å; S94-K98 WeakPolarHBondContact O-CG 3.35Å; S94-K98 PolarHBondContact O-N 3.23Å; S94-K98 PolarHBondContact OG-NZ 3.21Å; S95-K98 PolarHBondContact O-N 3.26Å; K98-H100 VanDerWaalsContact C-N 3.27Å; K98-H100 PolarHBondContact O-N 2.85Å; K98-T101 PolarHBondContact O-N 3.49Å; K98-T101 VanDerWaalsContact O-N 3.11Å; K98-T101 PolarHBondContact O-OG1 3.01Å; K98-E102 WeakPolarHBondContact O-CB 3.43Å; K98-E102 WeakPolarHBondContact O-CG 3.32Å; K98-E102 PolarHBondContact O-N 3.28Å |
| 99 | Q | 85.5 | Confident | 76.7 | Confident | 70 Ų | 70 | 76.7 Ų | 76.7 | 33% | 0.327 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -52.7 | -43.1 | 177.6 | -169 | -164.3 | -9 | 0 | 0 | 112.6 | S95 T103 | S95-Q99 PolarHBondContact O-N 2.77Å; Q99-T103 WeakPolarHBondContact O-CB 3.2Å; Q99-T103 PolarHBondContact O-N 3.3Å; Q99-T103 PolarHBondContact O-OG1 3.35Å |
| 100 | H | 80.9 | Confident | 74.8 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -74.1 | -36.2 | -178.9 | -149.8 | 76.4 | 0 | 0 | 0 | 112.8 | L68 F96 L97 K98 T103 N104 | L68-H100 HydrophobicContact CD1-CB 4.22Å; F96-H100 WeakPolarHBondContact O-CB 2.93Å; F96-H100 PolarHBondContact O-N 3.14Å; L97-H100 PolarHBondContact O-N 3.4Å; K98-H100 VanDerWaalsContact C-N 3.27Å; K98-H100 PolarHBondContact O-N 2.85Å; H100-T103 PolarHBondContact O-N 3.04Å; H100-N104 WeakPolarHBondContact O-CB 3.29Å; H100-N104 PolarHBondContact O-N 3.01Å |
| 101 | T | 82.4 | Confident | 72.2 | Confident | 12 Ų | 12 | 74.8 Ų | 74.8 | 7% | 0.074 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.8 | -35.2 | 173.5 | 57 | 0 | 0 | 0 | 0 | 112.7 | P74 L75 L97 K98 Q105 | P74-T101 HydrophobicContact CB-CG2 3.67Å; P74-T101 HydrophobicContact CG-CG2 3.83Å; L75-T101 HydrophobicContact CD2-CG2 3.87Å; L97-T101 WeakPolarHBondContact O-CB 3.47Å; L97-T101 WeakPolarHBondContact O-CG2 3.37Å; L97-T101 PolarHBondContact O-N 3Å; L97-T101 PolarHBondContact O-OG1 2.75Å; K98-T101 PolarHBondContact O-N 3.49Å; K98-T101 VanDerWaalsContact O-N 3.11Å; K98-T101 PolarHBondContact O-OG1 3.01Å; T101-Q105 WeakPolarHBondContact O-CB 3.36Å; T101-Q105 VanDerWaalsContact O-CG 3.25Å; T101-Q105 WeakPolarHBondContact O-CG 3.14Å; T101-Q105 PolarHBondContact O-N 3.38Å; T101-Q105 PolarHBondContact O-NE2 3.43Å |
| 102 | E | 77.7 | Confident | 69.5 | Low | 119 Ų | 119 | 75.3 Ų | 75.3 | 56% | 0.556 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.3 | -45.1 | 172.5 | -72.5 | 163.8 | -157.5 | 0 | 0 | 110.9 | K98 N104 Q105 S106 | K98-E102 WeakPolarHBondContact O-CB 3.43Å; K98-E102 WeakPolarHBondContact O-CG 3.32Å; K98-E102 PolarHBondContact O-N 3.28Å; E102-N104 PolarHBondContact O-N 3.48Å; E102-Q105 PolarHBondContact O-N 2.76Å; E102-S106 PolarHBondContact O-N 3.19Å |
| 103 | T | 72.4 | Confident | 66.7 | Low | 69 Ų | 69 | 73.2 Ų | 73.2 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58 | -49.4 | 175.4 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | Q99 H100 Q105 S106 H107 | Q99-T103 WeakPolarHBondContact O-CB 3.2Å; Q99-T103 PolarHBondContact O-N 3.3Å; Q99-T103 PolarHBondContact O-OG1 3.35Å; H100-T103 PolarHBondContact O-N 3.04Å; T103-Q105 PolarHBondContact O-N 2.89Å; T103-S106 PolarHBondContact O-N 2.84Å; T103-S106 PolarHBondContact O-OG 3.35Å; T103-H107 PolarHBondContact O-N 3.03Å |
| 104 | N | 63.6 | Low | 63.9 | Low | 51 Ų | 51 | 79.2 Ų | 79.2 | 27% | 0.273 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 179 | -71.6 | -10.7 | 0 | 0 | 0 | 112.9 | H100 E102 H107 M108 | H100-N104 WeakPolarHBondContact O-CB 3.29Å; H100-N104 PolarHBondContact O-N 3.01Å; E102-N104 PolarHBondContact O-N 3.48Å; N104-H107 PolarHBondContact O-N 3.25Å; N104-M108 WeakPolarHBondContact O-CG 3.32Å; N104-M108 PolarHBondContact O-N 2.94Å |
| 105 | Q | 61.6 | Low | 60.8 | Low | 100 Ų | 100 | 81.8 Ų | 81.8 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 174.1 | -78.2 | 170.8 | 94 | 0 | 0 | 112.3 | T101 E102 T103 H107 M108 L109 | T101-Q105 WeakPolarHBondContact O-CB 3.36Å; T101-Q105 VanDerWaalsContact O-CG 3.25Å; T101-Q105 WeakPolarHBondContact O-CG 3.14Å; T101-Q105 PolarHBondContact O-N 3.38Å; T101-Q105 PolarHBondContact O-NE2 3.43Å; E102-Q105 PolarHBondContact O-N 2.76Å; T103-Q105 PolarHBondContact O-N 2.89Å; Q105-H107 VanDerWaalsContact C-N 3.26Å; Q105-H107 PolarHBondContact O-N 3.45Å; Q105-M108 PolarHBondContact O-N 3.1Å; Q105-L109 WeakPolarHBondContact O-CG 3.45Å; Q105-L109 PolarHBondContact O-N 3.14Å; Q105-L109 VanDerWaalsContact O-N 3.07Å |
| 106 | S | 56 | Low | 58.1 | Low | 75 Ų | 75 | 89.1 Ų | 89.1 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 175.5 | 78.3 | 0 | 0 | 0 | 0 | 112 | E102 T103 | E102-S106 PolarHBondContact O-N 3.19Å; T103-S106 PolarHBondContact O-N 2.84Å; T103-S106 PolarHBondContact O-OG 3.35Å |
| 107 | H | 51.6 | Low | 55.4 | Low | 146 Ų | 146 | 92.4 Ų | 92.4 | 68% | 0.676 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -76.7 | -27 | 178.7 | -143.2 | -67.7 | 0 | 0 | 0 | 113.3 | T103 N104 Q105 | T103-H107 PolarHBondContact O-N 3.03Å; N104-H107 PolarHBondContact O-N 3.25Å; Q105-H107 VanDerWaalsContact C-N 3.26Å; Q105-H107 PolarHBondContact O-N 3.45Å |
| 108 | M | 40.3 | Very low | 52.6 | Low | 124 Ų | 124 | 96 Ų | 96 | 61% | 0.611 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.6 | -42.8 | 173.1 | -77.5 | -171.9 | 69.8 | 0 | 0 | 112.7 | L75 N104 Q105 A110 S111 | L75-M108 HydrophobicContact CD1-SD 3.96Å; N104-M108 WeakPolarHBondContact O-CG 3.32Å; N104-M108 PolarHBondContact O-N 2.94Å; Q105-M108 PolarHBondContact O-N 3.1Å; M108-A110 VanDerWaalsContact C-N 3.26Å; M108-A110 PolarHBondContact O-N 3.44Å; M108-S111 PolarHBondContact O-N 3.05Å |
| 109 | L | 45.1 | Very low | 49.8 | Very low | 143 Ų | 143 | 100.7 Ų | 100.7 | 75% | 0.749 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.2 | -32.3 | -178.7 | -70.4 | 173.7 | 0 | 0 | 0 | 112.3 | Q105 S111 | Q105-L109 WeakPolarHBondContact O-CG 3.45Å; Q105-L109 PolarHBondContact O-N 3.14Å; Q105-L109 VanDerWaalsContact O-N 3.07Å; L109-S111 PolarHBondContact O-N 2.82Å |
| 110 | A | 46.6 | Very low | 47.2 | Very low | 89 Ų | 89 | 105.5 Ų | 105.5 | 74% | 0.736 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -17.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | M108 | M108-A110 VanDerWaalsContact C-N 3.26Å; M108-A110 PolarHBondContact O-N 3.44Å |
| 111 | S | 35 | Very low | 44.7 | Very low | 91 Ų | 91 | 111.8 Ų | 111.8 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 11.1 | -171.7 | -168.8 | 0 | 0 | 0 | 0 | 114.9 | M108 L109 G113 | M108-S111 PolarHBondContact O-N 3.05Å; L109-S111 PolarHBondContact O-N 2.82Å; S111-G113 PolarHBondContact O-N 2.88Å |
| 112 | S | 32.1 | Very low | 42 | Very low | 115 Ų | 115 | 117 Ų | 117 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | -78.2 | 51.8 | 179.7 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 113 | G | 30.8 | Very low | 39.6 | Very low | 60 Ų | 60 | 120.9 Ų | 120.9 | 62% | 0.619 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -133 | 19.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S111 | S111-G113 PolarHBondContact O-N 2.88Š|
| 114 | S | 31.9 | Very low | 37.4 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 88% | 0.881 | 70% | 0.701 | S | S | * | * | trans | 67.6 | 148 | -170.4 | 84 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 115 | G | 26.9 | Very low | 35.9 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 71% | 0.712 | S | S | * | * | cis | 142.2 | 48.4 | 0.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 116 | K | 32.7 | Very low | 34.3 | Very low | 212 Ų | 212 | 125.8 Ų | 125.8 | 92% | 0.922 | 71% | 0.712 | S | S | * | * | trans | -144.9 | 98.7 | 168.9 | -105 | 156.8 | -170.9 | 170.8 | 0 | 110.8 | ||||
| 117 | S | 32.4 | Very low | 33 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | trans | -60.9 | 139.7 | 164.6 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 118 | S | 30.8 | Very low | 31.9 | Very low | 75 Ų | 75 | 126 Ų | 126 | 52% | 0.524 | 72% | 0.72 | S | S | . | * | 175.1 | 139.2 | 119.4 | 43.5 | 0 | 0 | 0 | 0 | 112.7 | L120 | S118-L120 VanDerWaalsContact O-CD1 3.25Å; S118-L120 WeakPolarHBondContact O-CD1 3.4Å; S118-L120 PolarHBondContact O-N 3.39Å; S118-L120 VanDerWaalsContact O-N 3.1Å | |||
| 119 | H | 29 | Very low | 31.4 | Very low | 192 Ų | 192 | 123.4 Ų | 123.4 | 89% | 0.889 | 71% | 0.711 | S | S | * | * | trans | 52.5 | 32 | 159.4 | -56.5 | -62.2 | 0 | 0 | 0 | 119.1 | K121 | H119-K121 PolarHBondContact O-N 2.95Š| ||
| 120 | L | 31.2 | Very low | 30.8 | Very low | 171 Ų | 171 | 122.6 Ų | 122.6 | 90% | 0.895 | 70% | 0.701 | S | S | * | * | trans | -77.2 | 71 | 175.3 | -98.4 | 68.5 | 0 | 0 | 0 | 113.8 | S118 | S118-L120 VanDerWaalsContact O-CD1 3.25Å; S118-L120 WeakPolarHBondContact O-CD1 3.4Å; S118-L120 PolarHBondContact O-N 3.39Å; S118-L120 VanDerWaalsContact O-N 3.1Å | ||
| 121 | K | 29.4 | Very low | 30.2 | Very low | 191 Ų | 191 | 125.3 Ų | 125.3 | 83% | 0.83 | 70% | 0.699 | S | S | * | * | trans | 52.1 | 95.6 | 140.5 | -145.8 | 165.9 | -170.8 | 178.1 | 0 | 117.5 | H119 R123 | H119-K121 PolarHBondContact O-N 2.95Å; K121-R123 PolarHBondContact O-N 2.77Å; K121-R123 VanDerWaalsContact O-N 3.09Å | ||
| 122 | V | 24.6 | Very low | 30.1 | Very low | 121 Ų | 121 | 126 Ų | 126 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | trans | -36.6 | 113.1 | 150.5 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | Q124 | V122-Q124 HydrophobicContact CG1-CG 3.78Š| ||
| 123 | R | 27.5 | Very low | 30.1 | Very low | 201 Ų | 201 | 124.5 Ų | 124.5 | 76% | 0.758 | 68% | 0.676 | S | S | * | * | trans | -94.1 | 85.3 | 161.2 | -170.6 | 174.7 | -172 | 176 | 3.5 | 107.3 | K121 H125 | K121-R123 PolarHBondContact O-N 2.77Å; K121-R123 VanDerWaalsContact O-N 3.09Å; R123-H125 WeakPolarHBondContact CD-NE2 3.36Å; R123-H125 PolarHBondContact O-CD2 3.45Å; R123-H125 PolarHBondContact O-N 3.28Å; R123-H125 VanDerWaalsContact O-N 3.12Å | ||
| 124 | Q | 25.5 | Very low | 30.3 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 65% | 0.645 | 68% | 0.676 | S | S | * | * | trans | -55.2 | 120 | 162.9 | -82 | 176.2 | 19.1 | 0 | 0 | 106.7 | V122 T126 | V122-Q124 HydrophobicContact CG1-CG 3.78Å; Q124-T126 HydrophobicContact CB-CG2 4.43Å; Q124-T126 PolarHBondContact O-N 2.68Å; Q124-T126 PolarHBondContact O-OG1 3.15Å | ||
| 125 | H | 33.7 | Very low | 30.4 | Very low | 110 Ų | 110 | 123.9 Ų | 123.9 | 51% | 0.509 | 66% | 0.662 | S | S | . | * | trans | -84.2 | 58.4 | 172 | -84 | -83.4 | 0 | 0 | 0 | 109.7 | R123 H127 | R123-H125 WeakPolarHBondContact CD-NE2 3.36Å; R123-H125 PolarHBondContact O-CD2 3.45Å; R123-H125 PolarHBondContact O-N 3.28Å; R123-H125 VanDerWaalsContact O-N 3.12Å; H125-H127 PolarHBondContact O-N 3.49Å | ||
| 126 | T | 27.3 | Very low | 30.7 | Very low | 75 Ų | 75 | 128 Ų | 128 | 46% | 0.46 | 66% | 0.66 | S | S | . | * | trans | -53.1 | 131.1 | 161.4 | 35.6 | 0 | 0 | 0 | 0 | 108.9 | Q124 | Q124-T126 HydrophobicContact CB-CG2 4.43Å; Q124-T126 PolarHBondContact O-N 2.68Å; Q124-T126 PolarHBondContact O-OG1 3.15Å | ||
| 127 | H | 28.8 | Very low | 30.6 | Very low | 168 Ų | 168 | 123.4 Ų | 123.4 | 78% | 0.778 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 29.3 | 92.3 | 167.7 | -57.4 | -96 | 0 | 0 | 0 | 117.6 | H125 | H125-H127 PolarHBondContact O-N 3.49Š|
| 128 | G | 27.8 | Very low | 30.5 | Very low | 58 Ų | 58 | 121.7 Ų | 121.7 | 60% | 0.598 | 66% | 0.655 | S | S | * | * | trans | -172.9 | -49 | 166.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | K130 | G128-K130 VanDerWaalsContact C-N 3.3Å; G128-K130 PolarHBondContact O-N 3.37Å | ||
| 129 | T | 31.4 | Very low | 30.2 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 42% | 0.423 | 66% | 0.664 | S | S | . | * | trans | -83.7 | 63.7 | -160.8 | -12.3 | 0 | 0 | 0 | 0 | 114.2 | H131 | T129-H131 PolarHBondContact O-N 3.34Š| ||
| 130 | K | 32.5 | Very low | 30.1 | Very low | 125 Ų | 125 | 121 Ų | 121 | 54% | 0.543 | 66% | 0.662 | S | S | . | * | trans | -74.7 | 49 | 174.5 | -61.4 | -175.4 | -179.6 | -174.5 | 0 | 112.3 | G128 E244 | G128-K130 VanDerWaalsContact C-N 3.3Å; G128-K130 PolarHBondContact O-N 3.37Å; K130-E244 IonicContact NZ-OE1 3.31Å; K130-E244 PolarHBondContact NZ-OE1 2.84Å; K130-E244 IonicContact NZ-OE2 2.74Å; K130-E244 PolarHBondContact NZ-OE2 3.08Å | ||
| 131 | H | 33.6 | Very low | 29.8 | Very low | 146 Ų | 146 | 117.3 Ų | 117.3 | 68% | 0.676 | 65% | 0.646 | S | S | * | * | trans | -121.8 | 68.4 | 178 | -155.9 | -65.3 | 0 | 0 | 0 | 113 | T129 | T129-H131 PolarHBondContact O-N 3.34Š| ||
| 132 | L | 32.9 | Very low | 29.7 | Very low | 107 Ų | 107 | 112.7 Ų | 112.7 | 56% | 0.56 | 64% | 0.638 | S | S | * | * | trans | 16.1 | 114.9 | 144.2 | -58.5 | 170.7 | 0 | 0 | 0 | 117.3 | S134 | L132-S134 WeakPolarHBondContact CB-OG 3.37Å; L132-S134 PolarHBondContact O-N 2.95Å | ||
| 133 | M | 31.9 | Very low | 29.8 | Very low | 82 Ų | 82 | 111.3 Ų | 111.3 | 40% | 0.404 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -71 | 38.6 | 156.5 | -67.1 | 174.4 | 61.1 | 0 | 0 | 112.4 | R62 R65 A66 | R62-M133 WeakPolarHBondContact O-CE 3.3Å; R65-M133 HydrophobicContact CB-CE 3.62Å; A66-M133 HydrophobicContact CB-CE 4.08Å; A66-M133 HydrophobicContact CB-SD 3.85Å |
| 134 | S | 35.5 | Very low | 29.7 | Very low | 89 Ų | 89 | 106.8 Ų | 106.8 | 62% | 0.622 | 63% | 0.633 | S | S | * | * | trans | -107.7 | 21.2 | 174.1 | 76.8 | 0 | 0 | 0 | 0 | 112.4 | L132 | L132-S134 WeakPolarHBondContact CB-OG 3.37Å; L132-S134 PolarHBondContact O-N 2.95Å | ||
| 135 | S | 32.6 | Very low | 29.9 | Very low | 84 Ų | 84 | 107.1 Ų | 107.1 | 59% | 0.587 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -137.5 | 35.9 | -179.8 | -170.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 136 | F | 34.5 | Very low | 29.5 | Very low | 159 Ų | 159 | 109.4 Ų | 109.4 | 70% | 0.697 | 65% | 0.648 | S | S | * | * | trans | -139.3 | 51.4 | 172.4 | -95.2 | -72.4 | 0 | 0 | 0 | 111.6 | R65 | R65-F136 PolarHBondContact NH1-O 3.2Š| ||
| 137 | S | 30.1 | Very low | 29.5 | Very low | 114 Ų | 114 | 112.8 Ų | 112.8 | 80% | 0.797 | 66% | 0.659 | S | S | * | * | trans | -110.2 | 120.7 | 170.2 | -61.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 138 | G | 29.2 | Very low | 29.7 | Very low | 80 Ų | 80 | 113.5 Ų | 113.5 | 83% | 0.825 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 86.8 | 36.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 139 | T | 26.2 | Very low | 29.8 | Very low | 115 Ų | 115 | 114.3 Ų | 114.3 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | trans | -126.7 | 103.1 | 145 | 56.5 | 0 | 0 | 0 | 0 | 108.6 | V141 | T139-V141 PolarHBondContact O-N 3.28Š| ||
| 140 | T | 26.9 | Very low | 29.7 | Very low | 138 Ų | 138 | 115.2 Ų | 115.2 | 85% | 0.847 | 69% | 0.693 | S | S | * | * | trans | -61.1 | 122.6 | 171.1 | 24.6 | 0 | 0 | 0 | 0 | 109.6 | S142 | T140-S142 PolarHBondContact O-N 3.42Š| ||
| 141 | V | 24 | Very low | 29.6 | Very low | 93 Ų | 93 | 113.3 Ų | 113.3 | 56% | 0.564 | 71% | 0.709 | S | S | * | * | trans | -87.1 | 102.4 | 164.1 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | T139 | T139-V141 PolarHBondContact O-N 3.28Š| ||
| 142 | S | 27.4 | Very low | 29.6 | Very low | 94 Ų | 94 | 109.9 Ų | 109.9 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | trans | -165.9 | 110.9 | 152.7 | -82.6 | 0 | 0 | 0 | 0 | 107.2 | T140 | T140-S142 PolarHBondContact O-N 3.42Š| ||
| 143 | S | 27.4 | Very low | 29.6 | Very low | 93 Ų | 93 | 113.8 Ų | 113.8 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | cis | 98 | 114.4 | 48.2 | 68 | 0 | 0 | 0 | 0 | 112 | ||||
| 144 | S | 25.3 | Very low | 29.5 | Very low | 105 Ų | 105 | 115.8 Ų | 115.8 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 71 | 150.8 | 145.1 | -51.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 145 | I | 28.5 | Very low | 29.3 | Very low | 145 Ų | 145 | 117.5 Ų | 117.5 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | trans | 67 | 85.7 | 159.4 | -58.2 | 146.8 | 0 | 0 | 0 | 114.2 | ||||
| 146 | E | 25.6 | Very low | 29.2 | Very low | 158 Ų | 158 | 117.2 Ų | 117.2 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | 71.4 | 123.2 | 79.4 | -69.5 | 175.2 | -170.2 | 0 | 0 | 116.1 | |||||
| 147 | H | 27.8 | Very low | 29 | Very low | 147 Ų | 147 | 112.2 Ų | 112.2 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | trans | 81.1 | 119.3 | 138.9 | -74.3 | -52 | 0 | 0 | 0 | 122.9 | ||||
| 148 | H | 32.8 | Very low | 29 | Very low | 183 Ų | 183 | 113 Ų | 113 | 85% | 0.847 | 72% | 0.717 | S | S | * | * | trans | 74.2 | 139.2 | 158.6 | -47.5 | -58.3 | 0 | 0 | 0 | 118.5 | ||||
| 149 | G | 29.2 | Very low | 29 | Very low | 75 Ų | 75 | 113.1 Ų | 113.1 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | cis | 162.1 | 122.6 | -10 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 150 | G | 30.7 | Very low | 29.1 | Very low | 87 Ų | 87 | 112.2 Ų | 112.2 | 90% | 0.897 | 71% | 0.709 | S | S | * | * | trans | 86.8 | 141.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 151 | G | 30.1 | Very low | 29.3 | Very low | 85 Ų | 85 | 112.7 Ų | 112.7 | 88% | 0.876 | 71% | 0.714 | S | S | * | * | cis | 150.3 | 123.9 | -9.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 152 | G | 33 | Very low | 29.6 | Very low | 75 Ų | 75 | 112.9 Ų | 112.9 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | 159.4 | 89.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 153 | K | 32 | Very low | 29.6 | Very low | 189 Ų | 189 | 115.1 Ų | 115.1 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | 73.6 | 155.2 | 142.9 | -92.6 | -171.8 | 171.1 | -163.3 | 0 | 122 | ||||
| 154 | D | 31.4 | Very low | 29.8 | Very low | 123 Ų | 123 | 117.3 Ų | 117.3 | 66% | 0.658 | 73% | 0.727 | S | S | * | * | trans | 68.9 | 99.8 | 155.1 | -52.7 | -13.2 | 0 | 0 | 0 | 119.2 | ||||
| 155 | N | 31 | Very low | 29.9 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | trans | 27.4 | 120.2 | 147.7 | -48.1 | -20.8 | 0 | 0 | 0 | 119.5 | ||||
| 156 | S | 30.7 | Very low | 30 | Very low | 78 Ų | 78 | 119 Ų | 119 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | 175.6 | 169.9 | 115.8 | 58.2 | 0 | 0 | 0 | 0 | 116.1 | A876 N877 M878 | S156-A876 WeakPolarHBondContact CA-O 3.17Å; S156-N877 VanDerWaalsContact CB-C 3.47Å; S156-M878 PolarHBondContact OG-O 3.39Å | |||
| 157 | S | 30.3 | Very low | 30 | Very low | 55 Ų | 55 | 119.6 Ų | 119.6 | 39% | 0.385 | 73% | 0.729 | S | S | . | * | trans | -140.3 | 141.4 | 168.6 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | A876 N877 | S157-A876 VanDerWaalsContact N-C 3.34Å; S157-N877 VanDerWaalsContact N-N 3.13Å; S157-N877 PolarHBondContact O-N 2.94Å; S157-N877 PolarHBondContact O-OD1 3.29Å | ||
| 158 | I | 29.7 | Very low | 30.2 | Very low | 131 Ų | 131 | 117 Ų | 117 | 67% | 0.672 | 73% | 0.727 | S | S | * | * | 178.5 | 152.4 | 124 | -96.1 | 176.4 | 0 | 0 | 0 | 110.3 | N877 | I158-N877 WeakPolarHBondContact CD1-OD1 3.41Š| |||
| 159 | A | 29.8 | Very low | 30.3 | Very low | 82 Ų | 82 | 117.9 Ų | 117.9 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | trans | 58.1 | 107.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 160 | S | 26.4 | Very low | 30.5 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | 35 | 117.3 | 120.4 | -51.1 | 0 | 0 | 0 | 0 | 120.3 | S162 | S160-S162 PolarHBondContact O-N 2.84Š| |||
| 161 | P | 31.8 | Very low | 30.8 | Very low | 147 Ų | 147 | 123.7 Ų | 123.7 | 96% | 0.955 | 73% | 0.725 | S | S | * | * | trans | -72.5 | 76.7 | 158.1 | 32.4 | -34 | 0 | 0 | 0 | 110 | ||||
| 162 | S | 30.4 | Very low | 30.9 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | trans | -85.5 | 126.4 | 175.7 | 60 | 0 | 0 | 0 | 0 | 111.5 | S160 | S160-S162 PolarHBondContact O-N 2.84Š| ||
| 163 | N | 28.4 | Very low | 30.9 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | 81.4 | 148.2 | 151.2 | -123.7 | 7.1 | 0 | 0 | 0 | 119 | ||||
| 164 | I | 30 | Very low | 30.8 | Very low | 138 Ų | 138 | 122.1 Ų | 122.1 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | trans | 73.1 | 105.8 | 154 | -67.7 | 163.6 | 0 | 0 | 0 | 115.6 | ||||
| 165 | Y | 27.9 | Very low | 30.7 | Very low | 211 Ų | 211 | 121.1 Ų | 121.1 | 83% | 0.827 | 70% | 0.699 | S | S | * | * | 85.2 | 135.4 | 81.3 | -135.4 | -119.1 | 0 | 0 | 0 | 110.4 | |||||
| 166 | S | 30 | Very low | 30.7 | Very low | 75 Ų | 75 | 119 Ų | 119 | 52% | 0.524 | 69% | 0.694 | S | S | . | * | cis | -148.4 | 150.9 | 7.5 | 9.2 | 0 | 0 | 0 | 0 | 110.6 | S168 | S166-S168 PolarHBondContact O-N 2.93Š| ||
| 167 | D | 26.5 | Very low | 30.6 | Very low | 170 Ų | 170 | 118.9 Ų | 118.9 | 91% | 0.909 | 70% | 0.704 | S | S | * | * | trans | -77.3 | 104.7 | 159.1 | -154.2 | 0.5 | 0 | 0 | 0 | 106.6 | E169 | D167-E169 PolarHBondContact O-N 2.84Š| ||
| 168 | S | 32.4 | Very low | 30.5 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | trans | -96.7 | 83 | -166 | 59 | 0 | 0 | 0 | 0 | 112.3 | S166 D170 | S166-S168 PolarHBondContact O-N 2.93Å; S168-D170 PolarHBondContact O-N 3.04Å | ||
| 169 | E | 33.7 | Very low | 30.3 | Very low | 202 Ų | 202 | 123.7 Ų | 123.7 | 94% | 0.944 | 73% | 0.726 | S | S | * | * | trans | -70.3 | 82.9 | 150.1 | -69.6 | -173.1 | 154.6 | 0 | 0 | 108.2 | D167 | D167-E169 PolarHBondContact O-N 2.84Š| ||
| 170 | D | 35.1 | Very low | 30.4 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 56% | 0.556 | 74% | 0.735 | S | S | * | * | trans | -137.3 | 78.1 | 179.4 | -168.1 | 29.1 | 0 | 0 | 0 | 112.3 | S168 G172 H173 | S168-D170 PolarHBondContact O-N 3.04Å; D170-G172 PolarHBondContact O-N 3.23Å; D170-H173 IonicContact OD2-CD2 3.27Å | ||
| 171 | D | 35.3 | Very low | 30.4 | Very low | 180 Ų | 180 | 128.5 Ų | 128.5 | 96% | 0.963 | 74% | 0.736 | S | S | * | * | trans | -78 | 102.7 | 158.2 | -97.9 | -39.4 | 0 | 0 | 0 | 108.7 | ||||
| 172 | G | 32.5 | Very low | 30.5 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 73% | 0.729 | S | S | * | * | trans | 152.3 | -5.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | D170 S174 | D170-G172 PolarHBondContact O-N 3.23Å; G172-S174 PolarHBondContact O-N 2.95Å | ||
| 173 | H | 33.8 | Very low | 30.4 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | -74.4 | 84.3 | 179.5 | -96 | -62.6 | 0 | 0 | 0 | 113.7 | D170 L175 | D170-H173 IonicContact OD2-CD2 3.27Å; H173-L175 PolarHBondContact O-N 2.85Å; H173-L175 VanDerWaalsContact O-N 3.16Å | ||
| 174 | S | 29.7 | Very low | 30.7 | Very low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | trans | -76.9 | 100.8 | 174.6 | -160.3 | 0 | 0 | 0 | 0 | 112.3 | G172 | G172-S174 PolarHBondContact O-N 2.95Š| ||
| 175 | L | 28.5 | Very low | 30.6 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 53% | 0.534 | 74% | 0.735 | S | S | . | * | trans | 77.8 | 117.3 | 149.6 | -60.5 | 156.7 | 0 | 0 | 0 | 120.9 | H173 | H173-L175 PolarHBondContact O-N 2.85Å; H173-L175 VanDerWaalsContact O-N 3.16Å | ||
| 176 | S | 31.1 | Very low | 30.8 | Very low | 82 Ų | 82 | 128 Ų | 128 | 57% | 0.573 | 74% | 0.738 | S | S | * | * | trans | 76 | 146.5 | 132 | 76 | 0 | 0 | 0 | 0 | 120 | S989 | S176-S989 WeakPolarHBondContact OG-CB 3.24Å; S176-S989 PolarHBondContact OG-OG 3.26Å | ||
| 177 | G | 30 | Very low | 31 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | -170.1 | -54.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 178 | L | 28.4 | Very low | 31 | Very low | 155 Ų | 155 | 131 Ų | 131 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | 65.2 | 128.2 | -174.4 | -71 | 161.3 | 0 | 0 | 0 | 117.1 | ||||
| 179 | N | 25.3 | Very low | 30.9 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 39.2 | 112.7 | 142.2 | -55.6 | -5.2 | 0 | 0 | 0 | 121 | ||||
| 180 | I | 31.2 | Very low | 30.6 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | -131.2 | 128.6 | 121.7 | -83.9 | 107.2 | 0 | 0 | 0 | 109 | |||||
| 181 | T | 26.9 | Very low | 30.4 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 69% | 0.693 | 74% | 0.741 | S | S | * | * | trans | -89.6 | 139.3 | 174.8 | -45.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 182 | T | 33.5 | Very low | 30 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 82% | 0.816 | 73% | 0.729 | S | S | * | * | trans | -130 | 100 | 162.5 | 35.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 183 | N | 27.9 | Very low | 29.8 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -69.1 | 132 | 164.6 | -88.5 | -47.6 | 0 | 0 | 0 | 109.7 | ||||
| 184 | I | 34.9 | Very low | 29.7 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 81% | 0.805 | 72% | 0.724 | S | S | * | * | trans | -129 | 112.4 | 145.7 | -62.1 | -176 | 0 | 0 | 0 | 107 | ||||
| 185 | S | 28.1 | Very low | 29.6 | Very low | 94 Ų | 94 | 128 Ų | 128 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | trans | -87.7 | 140.3 | -178.4 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 186 | H | 33.1 | Very low | 29.7 | Very low | 193 Ų | 193 | 129.6 Ų | 129.6 | 89% | 0.894 | 73% | 0.729 | S | S | * | * | trans | -116 | 78.2 | 158.6 | -84.8 | -69.3 | 0 | 0 | 0 | 110.1 | ||||
| 187 | H | 32.9 | Very low | 29.6 | Very low | 164 Ų | 164 | 132 Ų | 132 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -94.1 | 141.9 | 174.1 | -147.8 | 2.7 | 0 | 0 | 0 | 110.2 | ||||
| 188 | N | 27.9 | Very low | 29.7 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | 89.3 | 157 | 148.7 | -145.3 | -2.3 | 0 | 0 | 0 | 119.4 | ||||
| 189 | I | 29.7 | Very low | 29.8 | Very low | 141 Ų | 141 | 133 Ų | 133 | 72% | 0.723 | 72% | 0.719 | S | S | * | * | trans | 70.9 | 73.5 | 172.8 | -42.7 | -179.2 | 0 | 0 | 0 | 115.7 | ||||
| 190 | S | 26.7 | Very low | 30 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | trans | -62.3 | 153.3 | 138.6 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | N192 | S190-N192 PolarHBondContact OG-N 3.18Š| ||
| 191 | P | 31.6 | Very low | 30.1 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | -125.4 | 120.1 | 115.2 | 34 | -30.9 | 0 | 0 | 0 | 113.5 | N193 | P191-N193 PolarHBondContact O-N 2.9Š| |||
| 192 | N | 27 | Very low | 30 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | trans | -46.5 | 123 | 140.8 | -76.7 | -24.4 | 0 | 0 | 0 | 108.9 | S190 | S190-N192 PolarHBondContact OG-N 3.18Š| ||
| 193 | N | 28.7 | Very low | 29.8 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | -149.6 | 115 | 102.4 | -124.1 | -12.8 | 0 | 0 | 0 | 112.3 | P191 | P191-N193 PolarHBondContact O-N 2.9Š| |||
| 194 | T | 30.5 | Very low | 29.9 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 58% | 0.583 | 69% | 0.689 | S | S | * | * | 17 | 130.2 | 109.9 | -18.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 195 | N | 28.6 | Very low | 29.6 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | 179.5 | 140.1 | 118.7 | -81.2 | -26.5 | 0 | 0 | 0 | 108.1 | |||||
| 196 | Q | 30.3 | Very low | 29.7 | Very low | 135 Ų | 135 | 125 Ų | 125 | 63% | 0.631 | 68% | 0.683 | S | S | * | * | cis | -153.6 | 144.1 | -4.4 | -114.8 | 157.7 | 24.2 | 0 | 0 | 107 | ||||
| 197 | Q | 29.5 | Very low | 29.5 | Very low | 131 Ų | 131 | 118.9 Ų | 118.9 | 61% | 0.612 | 67% | 0.673 | S | S | * | * | 67.3 | 133.9 | 99.9 | -152.3 | 173.1 | 5.1 | 0 | 0 | 112.5 | D199 | Q197-D199 WeakPolarHBondContact CG-OD2 3.44Å; Q197-D199 PolarHBondContact NE2-OD2 2.93Å | |||
| 198 | L | 31.1 | Very low | 29.3 | Very low | 147 Ų | 147 | 118.6 Ų | 118.6 | 77% | 0.77 | 67% | 0.671 | S | S | * | * | cis | -128.3 | 139.3 | 38.2 | -71.9 | 147.9 | 0 | 0 | 0 | 110.3 | ||||
| 199 | D | 30.2 | Very low | 29.3 | Very low | 104 Ų | 104 | 117.7 Ų | 117.7 | 56% | 0.556 | 66% | 0.658 | S | S | * | * | 63.2 | 140.2 | 71.7 | -60.7 | -13.5 | 0 | 0 | 0 | 113.1 | Q197 | Q197-D199 WeakPolarHBondContact CG-OD2 3.44Å; Q197-D199 PolarHBondContact NE2-OD2 2.93Å | |||
| 200 | L | 29.5 | Very low | 29.3 | Very low | 135 Ų | 135 | 115.1 Ų | 115.1 | 71% | 0.707 | 65% | 0.646 | S | S | * | * | cis | -178.9 | 173.7 | -27 | -118.5 | 166.5 | 0 | 0 | 0 | 107 | ||||
| 201 | N | 33.5 | Very low | 29.7 | Very low | 144 Ų | 144 | 118.6 Ų | 118.6 | 77% | 0.77 | 65% | 0.652 | S | S | * | * | trans | 74.3 | 134.1 | 157.9 | -61 | -34.4 | 0 | 0 | 0 | 121.8 | ||||
| 202 | C | 25.2 | Very low | 30 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | trans | -73.3 | -169.1 | 166.8 | -47 | 0 | 0 | 0 | 0 | 112.6 | S204 | C202-S204 PolarHBondContact O-N 3.26Š| ||
| 203 | L | 28.7 | Very low | 30.2 | Very low | 133 Ų | 133 | 114.4 Ų | 114.4 | 70% | 0.696 | 63% | 0.63 | S | S | * | * | trans | 75.9 | 12.7 | 149.5 | -64.7 | 164.6 | 0 | 0 | 0 | 120.5 | T1311 | L203-T1311 HydrophobicContact CB-CG2 4.09Å; L203-T1311 HydrophobicContact CD2-CG2 3.61Å; L203-T1311 HydrophobicContact CG-CG2 4.44Å; L203-T1311 WeakPolarHBondContact O-CB 3.28Å; L203-T1311 WeakPolarHBondContact O-CG2 3.42Å; L203-T1311 PolarHBondContact O-OG1 2.82Å | ||
| 204 | S | 30.3 | Very low | 30.4 | Very low | 48 Ų | 48 | 110.7 Ų | 110.7 | 34% | 0.336 | 62% | 0.615 | S | S | . | * | trans | 58.4 | -174.5 | 136.3 | -14.9 | 0 | 0 | 0 | 0 | 121.2 | C202 V1309 A1310 T1311 | C202-S204 PolarHBondContact O-N 3.26Å; S204-V1309 VanDerWaalsContact CB-CG1 3.43Å; S204-V1309 WeakPolarHBondContact OG-CG1 3.39Å; S204-A1310 VanDerWaalsContact CB-N 3.28Å; S204-A1310 WeakPolarHBondContact CB-O 3.26Å; S204-A1310 VanDerWaalsContact OG-C 3.22Å; S204-A1310 PolarHBondContact OG-N 3.21Å; S204-A1310 PolarHBondContact OG-O 3.04Å; S204-T1311 VanDerWaalsContact C-OG1 3.26Å; S204-T1311 VanDerWaalsContact CB-OG1 3.27Å; S204-T1311 WeakPolarHBondContact CB-OG1 3.3Å; S204-T1311 PolarHBondContact O-OG1 3.34Å | ||
| 205 | S | 28.8 | Very low | 30.3 | Very low | 82 Ų | 82 | 109 Ų | 109 | 57% | 0.573 | 61% | 0.607 | S | S | * | * | trans | -160.3 | 178.3 | 136.3 | -151.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 206 | T | 29.7 | Very low | 30.8 | Very low | 124 Ų | 124 | 108.2 Ų | 108.2 | 76% | 0.761 | 61% | 0.608 | S | S | * | * | trans | -67.8 | 132.5 | 164.1 | -46.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 207 | G | 28.9 | Very low | 30.8 | Very low | 65 Ų | 65 | 106 Ų | 106 | 67% | 0.67 | 61% | 0.608 | S | S | * | * | trans | 147.4 | 86.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 208 | H | 29.5 | Very low | 30.9 | Very low | 158 Ų | 158 | 107.5 Ų | 107.5 | 73% | 0.731 | 62% | 0.619 | S | S | * | * | trans | 53.9 | 101.1 | 140.3 | -67.7 | -29.8 | 0 | 0 | 0 | 121.1 | ||||
| 209 | Y | 27.7 | Very low | 31.1 | Very low | 123 Ų | 123 | 104 Ų | 104 | 48% | 0.482 | 61% | 0.605 | S | S | . | * | 100.8 | 101.2 | 125.2 | -63.9 | -43 | 0 | 0 | 0 | 121.4 | M471 | Y209-M471 VanDerWaalsContact CD1-C 3.42Å; Y209-M471 WeakPolarHBondContact CD1-O 3.5Å; Y209-M471 HydrophobicContact CE1-CB 3.86Å; Y209-M471 WeakPolarHBondContact CE1-O 3.39Å | |||
| 210 | N | 29.2 | Very low | 31.1 | Very low | 87 Ų | 87 | 103.1 Ų | 103.1 | 47% | 0.465 | 61% | 0.607 | S | S | . | * | trans | 81.9 | 98.6 | 150 | -61.1 | -71.3 | 0 | 0 | 0 | 118.4 | N472 | N210-N472 WeakPolarHBondContact ND2-CA 3.38Å; N210-N472 PolarHBondContact ND2-N 2.89Å; N210-N472 PolarHBondContact ND2-O 3.02Å | ||
| 211 | H | 36.1 | Very low | 31.2 | Very low | 166 Ų | 166 | 103.1 Ų | 103.1 | 77% | 0.769 | 61% | 0.613 | S | S | * | * | cis | 71.6 | 134 | 48.7 | -159 | -118.3 | 0 | 0 | 0 | 111.7 | ||||
| 212 | P | 37.4 | Very low | 31.4 | Very low | 87 Ų | 87 | 101.4 Ų | 101.4 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | cis | -140 | -167.3 | 4.2 | 43.4 | -22.9 | 0 | 0 | 0 | 115.2 | ||||
| 213 | T | 31.1 | Very low | 31.7 | Very low | 75 Ų | 75 | 106 Ų | 106 | 46% | 0.46 | 62% | 0.617 | S | S | . | * | cis | -154.1 | 130.9 | 7 | -19.6 | 0 | 0 | 0 | 0 | 114.7 | A1305 G1306 | T213-A1305 VanDerWaalsContact C-C 3.47Å; T213-A1305 CarbonylContact C-O 3.18Å; T213-A1305 PolarHBondContact N-O 2.9Å; T213-A1305 CarbonylContact O-C 3.31Å; T213-A1305 WeakPolarHBondContact O-CA 3.21Å; T213-A1305 PolarHBondContact O-N 2.69Å; T213-G1306 CarbonylContact C-O 3.03Å; T213-G1306 VanDerWaalsContact CA-O 3.26Å; T213-G1306 WeakPolarHBondContact CA-O 3.3Å; T213-G1306 PolarHBondContact N-O 3.44Å | ||
| 214 | S | 31.9 | Very low | 31.6 | Very low | 56 Ų | 56 | 105 Ų | 105 | 39% | 0.392 | 62% | 0.621 | S | S | . | * | trans | 65.9 | 138.3 | 161 | 69.3 | 0 | 0 | 0 | 0 | 120.2 | T1304 A1305 G1306 | S214-T1304 WeakPolarHBondContact OG-CB 3.42Å; S214-T1304 VanDerWaalsContact OG-CG2 3.24Å; S214-T1304 WeakPolarHBondContact OG-CG2 3.48Å; S214-A1305 CarbonylContact O-C 3.52Å; S214-A1305 WeakPolarHBondContact O-CA 3.25Å; S214-A1305 PolarHBondContact O-N 2.73Å; S214-G1306 PolarHBondContact N-O 3.33Å; S214-G1306 PolarHBondContact O-N 2.75Å | ||
| 215 | S | 29.9 | Very low | 31.6 | Very low | 61 Ų | 61 | 109.8 Ų | 109.8 | 43% | 0.427 | 65% | 0.647 | S | S | . | * | trans | -142.4 | -164.4 | 174.3 | -55.3 | 0 | 0 | 0 | 0 | 107.9 | G1306 Q1307 | S215-G1306 WeakPolarHBondContact OG-CA 3.3Å; S215-G1306 PolarHBondContact OG-N 2.87Å; S215-Q1307 WeakPolarHBondContact OG-CB 3.46Å; S215-Q1307 PolarHBondContact OG-N 3.06Å | ||
| 216 | P | 37.4 | Very low | 31.5 | Very low | 102 Ų | 102 | 112.2 Ų | 112.2 | 66% | 0.662 | 66% | 0.659 | S | S | * | * | -128.2 | 177.9 | -110.2 | 34.2 | -12.9 | 0 | 0 | 0 | 115.5 | |||||
| 217 | S | 30.2 | Very low | 31.4 | Very low | 89 Ų | 89 | 113.7 Ų | 113.7 | 62% | 0.622 | 66% | 0.662 | S | S | * | * | trans | 51.9 | 115.6 | 141 | 63.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 218 | L | 32.8 | Very low | 31.3 | Very low | 162 Ų | 162 | 117.8 Ų | 117.8 | 85% | 0.848 | 67% | 0.666 | S | S | * | * | 67.4 | 173.5 | 125 | -65.1 | 172.6 | 0 | 0 | 0 | 119 | |||||
| 219 | P | 35.8 | Very low | 31.2 | Very low | 72 Ų | 72 | 119.3 Ų | 119.3 | 47% | 0.468 | 67% | 0.673 | S | S | . | * | cis | -131.4 | -170.1 | -32.6 | 27.9 | -6.1 | 0 | 0 | 0 | 114 | ||||
| 220 | S | 28.6 | Very low | 31.2 | Very low | 86 Ų | 86 | 120.2 Ų | 120.2 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | trans | 94.8 | 99.8 | 146.2 | -55.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 221 | V | 32.4 | Very low | 31.1 | Very low | 136 Ų | 136 | 121.1 Ų | 121.1 | 82% | 0.824 | 70% | 0.697 | S | S | * | * | 50.5 | 137.2 | 101 | 168.9 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 222 | P | 37.5 | Very low | 30.8 | Very low | 107 Ų | 107 | 118 Ų | 118 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | cis | -141.9 | -175.2 | -24.5 | 40.1 | -21.1 | 0 | 0 | 0 | 114.6 | ||||
| 223 | K | 30.9 | Very low | 30.3 | Very low | 208 Ų | 208 | 119.7 Ų | 119.7 | 90% | 0.904 | 71% | 0.709 | S | S | * | * | -165.3 | 154 | 128.2 | -109.6 | 160.6 | -173.1 | 170.9 | 0 | 112.2 | |||||
| 224 | S | 26.6 | Very low | 30.6 | Very low | 111 Ų | 111 | 120.5 Ų | 120.5 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | -90.4 | 136.9 | -173.5 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 225 | V | 30.3 | Very low | 30.6 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 90% | 0.897 | 72% | 0.719 | S | S | * | * | trans | -133.8 | 124.9 | 140.1 | -103.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 226 | T | 27.3 | Very low | 30.8 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | trans | -75.3 | 127.7 | 168.3 | 45.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 227 | D | 28.7 | Very low | 31.1 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 83% | 0.829 | 73% | 0.728 | S | S | * | * | trans | -138.9 | 155.3 | 144.6 | -139.3 | -29.6 | 0 | 0 | 0 | 110.3 | ||||
| 228 | M | 25.4 | Very low | 31.6 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | trans | -94.6 | 144.1 | -167.1 | -59.8 | 173.1 | -74.5 | 0 | 0 | 111.2 | ||||
| 229 | H | 28.9 | Very low | 31.9 | Very low | 189 Ų | 189 | 124.3 Ų | 124.3 | 88% | 0.875 | 70% | 0.701 | S | S | * | * | -154.3 | 135.5 | 112.5 | -124.4 | -85.7 | 0 | 0 | 0 | 114.1 | |||||
| 230 | I | 27.4 | Very low | 32.3 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | trans | -90.1 | 132.4 | 173.7 | -60.7 | 162.7 | 0 | 0 | 0 | 108.1 | ||||
| 231 | S | 26.7 | Very low | 32.8 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | 163.1 | 116.7 | 131.1 | -75.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 232 | S | 29.2 | Very low | 33.1 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | -173.7 | 49.5 | 144.8 | -87.2 | 0 | 0 | 0 | 0 | 112.2 | K234 | S232-K234 PolarHBondContact O-N 2.98Š| ||
| 233 | S | 28.4 | Very low | 32.8 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | trans | -78.5 | 114.9 | 176.4 | 49.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 234 | K | 36.4 | Very low | 33.3 | Very low | 92 Ų | 92 | 122.1 Ų | 122.1 | 40% | 0.4 | 67% | 0.667 | S | S | . | * | trans | -124.9 | 110.8 | 175.3 | -69.7 | -167.4 | 176 | -174.4 | 0 | 114.4 | S232 E423 | S232-K234 PolarHBondContact O-N 2.98Å; K234-E423 IonicContact NZ-OE1 2.59Å; K234-E423 PolarHBondContact NZ-OE1 2.91Å | ||
| 235 | S | 31.5 | Very low | 33.7 | Very low | 95 Ų | 95 | 122.7 Ų | 122.7 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | trans | 84.7 | 43.5 | 144.1 | -137.8 | 0 | 0 | 0 | 0 | 121.2 | K237 H1146 | S235-K237 PolarHBondContact O-N 2.86Å; S235-H1146 VanDerWaalsContact C-CE1 3.44Å; S235-H1146 PolarHBondContact O-CE1 3.23Å; S235-H1146 VanDerWaalsContact O-CE1 3.28Å; S235-H1146 PolarHBondContact O-NE2 2.83Å; S235-H1146 VanDerWaalsContact O-NE2 3.15Å | ||
| 236 | L | 35.1 | Very low | 34.3 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 75% | 0.754 | 66% | 0.66 | S | S | * | * | trans | -65.1 | 113.3 | 160.2 | -96.5 | 95.9 | 0 | 0 | 0 | 109.5 | K238 H1146 | L236-K238 PolarHBondContact O-N 2.93Å; L236-H1146 VanDerWaalsContact CD1-CE1 3.49Å; L236-H1146 WeakPolarHBondContact CD1-CE1 3.45Å; L236-H1146 PolarHBondContact N-CE1 2.94Å | ||
| 237 | K | 42.8 | Very low | 34.9 | Very low | 123 Ų | 123 | 125 Ų | 125 | 54% | 0.535 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 125.3 | -177.6 | -71.6 | 165.6 | 175 | 170.3 | 0 | 109.9 | S235 E1224 | S235-K237 PolarHBondContact O-N 2.86Å; K237-E1224 IonicContact NZ-OE1 3.9Å; K237-E1224 PolarHBondContact NZ-OE1 3.26Å; K237-E1224 IonicContact NZ-OE2 3.72Å; K237-E1224 PolarHBondContact NZ-OE2 3.03Å |
| 238 | K | 41.8 | Very low | 35.4 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 49% | 0.491 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -48.3 | 138.6 | -177.6 | -167.2 | 88.3 | 179.1 | -166.5 | 0 | 111.8 | L236 P240 E244 | L236-K238 PolarHBondContact O-N 2.93Å; K238-P240 WeakPolarHBondContact O-CD 3.37Å; K238-E244 VanDerWaalsContact CE-CD 3.48Å; K238-E244 WeakPolarHBondContact CE-OE1 3.23Å; K238-E244 IonicContact NZ-OE1 2.74Å; K238-E244 PolarHBondContact NZ-OE1 3.36Å; K238-E244 IonicContact NZ-OE2 3.48Å; K238-E244 PolarHBondContact NZ-OE2 3.31Å |
| 239 | D | 38.2 | Very low | 35.9 | Very low | 75 Ų | 75 | 124.3 Ų | 124.3 | 40% | 0.401 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -66 | 125.9 | 175 | 179.9 | 32.6 | 0 | 0 | 0 | 111.3 | Y241 A242 R1157 | D239-Y241 PolarHBondContact O-N 3.11Å; D239-A242 HydrophobicContact CB-CB 4.26Å; D239-A242 WeakPolarHBondContact O-CB 3.37Å; D239-A242 PolarHBondContact O-N 2.9Å; D239-R1157 IonicContact OD1-NH1 2.68Å |
| 240 | P | 44.7 | Very low | 36 | Very low | 95 Ų | 95 | 124 Ų | 124 | 62% | 0.617 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -2.6 | 176 | 25.5 | -37.5 | 0 | 0 | 0 | 115.6 | K238 | K238-P240 WeakPolarHBondContact O-CD 3.37Š|
| 241 | Y | 38.5 | Very low | 36.2 | Very low | 175 Ų | 175 | 123 Ų | 123 | 69% | 0.686 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 4 | 172.1 | -59.5 | -76.6 | 0 | 0 | 0 | 113.8 | D239 F243 | D239-Y241 PolarHBondContact O-N 3.11Å; Y241-F243 PolarHBondContact O-N 2.74Å |
| 242 | A | 37.8 | Very low | 36.6 | Very low | 45 Ų | 45 | 123.2 Ų | 123.2 | 37% | 0.372 | 65% | 0.654 | S | S | . | * | trans | -75.1 | 103.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | D239 E244 | D239-A242 HydrophobicContact CB-CB 4.26Å; D239-A242 WeakPolarHBondContact O-CB 3.37Å; D239-A242 PolarHBondContact O-N 2.9Å; A242-E244 PolarHBondContact O-N 3.18Å | ||
| 243 | F | 32.7 | Very low | 36.6 | Very low | 166 Ų | 166 | 123.9 Ų | 123.9 | 73% | 0.728 | 65% | 0.65 | S | S | * | * | trans | -60.2 | 117.1 | 166.1 | -72 | -98.8 | 0 | 0 | 0 | 109.3 | Y241 | Y241-F243 PolarHBondContact O-N 2.74Š| ||
| 244 | E | 41.1 | Very low | 36.7 | Very low | 82 Ų | 82 | 122.2 Ų | 122.2 | 38% | 0.383 | 63% | 0.631 | S | S | . | * | trans | -93.5 | 137.2 | 158.9 | -55.2 | -72.2 | 87.2 | 0 | 0 | 107.1 | K130 K238 A242 D246 | K130-E244 IonicContact NZ-OE1 3.31Å; K130-E244 PolarHBondContact NZ-OE1 2.84Å; K130-E244 IonicContact NZ-OE2 2.74Å; K130-E244 PolarHBondContact NZ-OE2 3.08Å; K238-E244 VanDerWaalsContact CE-CD 3.48Å; K238-E244 WeakPolarHBondContact CE-OE1 3.23Å; K238-E244 IonicContact NZ-OE1 2.74Å; K238-E244 PolarHBondContact NZ-OE1 3.36Å; K238-E244 IonicContact NZ-OE2 3.48Å; K238-E244 PolarHBondContact NZ-OE2 3.31Å; A242-E244 PolarHBondContact O-N 3.18Å; E244-D246 PolarHBondContact O-N 3.07Å | ||
| 245 | D | 35.8 | Very low | 36.4 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 65% | 0.652 | 65% | 0.649 | S | S | * | * | trans | -67.1 | 108 | 163.1 | -60.7 | -109 | 0 | 0 | 0 | 108.3 | K3 | K3-D245 IonicContact NZ-OD1 3.73Å; K3-D245 PolarHBondContact NZ-OD1 3.25Å | ||
| 246 | D | 41.8 | Very low | 36.5 | Very low | 163 Ų | 163 | 120 Ų | 120 | 87% | 0.872 | 63% | 0.631 | S | S | * | * | trans | -76.9 | 118.4 | 170.7 | -81.5 | -37.3 | 0 | 0 | 0 | 109.6 | E244 | E244-D246 PolarHBondContact O-N 3.07Š| ||
| 247 | E | 40.2 | Very low | 36.2 | Very low | 167 Ų | 167 | 120 Ų | 120 | 78% | 0.78 | 63% | 0.632 | S | S | * | * | trans | -99 | 144.5 | 166.4 | -71.7 | -164.5 | 163.3 | 0 | 0 | 111.9 | ||||
| 248 | N | 38.6 | Very low | 35.6 | Very low | 137 Ų | 137 | 118.5 Ų | 118.5 | 73% | 0.733 | 64% | 0.637 | S | S | * | * | trans | 65.2 | 110.1 | 164.1 | -55.7 | -27 | 0 | 0 | 0 | 119.2 | ||||
| 249 | D | 35.3 | Very low | 35.1 | Very low | 155 Ų | 155 | 119.8 Ų | 119.8 | 83% | 0.829 | 65% | 0.649 | S | S | * | * | 179.6 | 115.9 | 99.9 | -99.6 | -17.7 | 0 | 0 | 0 | 113 | |||||
| 250 | E | 31.2 | Very low | 34.7 | Very low | 183 Ų | 183 | 122.8 Ų | 122.8 | 86% | 0.855 | 66% | 0.664 | S | S | * | * | trans | -150.7 | 84.1 | 163.8 | -108.9 | -72.8 | 179 | 0 | 0 | 110.4 | ||||
| 251 | T | 33.2 | Very low | 34.1 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | trans | -139.4 | 170.9 | 163.8 | 67.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 252 | V | 34.5 | Very low | 34 | Very low | 109 Ų | 109 | 122.4 Ų | 122.4 | 66% | 0.661 | 67% | 0.668 | S | S | * | * | trans | 85.2 | 71.6 | 176.7 | -160 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 253 | N | 29.8 | Very low | 33.6 | Very low | 115 Ų | 115 | 124 Ų | 124 | 62% | 0.615 | 68% | 0.681 | S | S | * | * | trans | -146.9 | 147.5 | 140.2 | -97.4 | -39.6 | 0 | 0 | 0 | 110 | A563 | N253-A563 HydrophobicContact CB-CB 4.41Š| ||
| 254 | N | 30.7 | Very low | 33.4 | Very low | 87 Ų | 87 | 121.8 Ų | 121.8 | 47% | 0.465 | 69% | 0.686 | S | S | . | * | trans | -174.6 | -177.7 | -166.8 | -75.1 | -62.9 | 0 | 0 | 0 | 110.3 | A563 T564 C565 | N254-A563 HydrophobicContact CB-CB 4.15Å; N254-A563 WeakPolarHBondContact O-CA 3.25Å; N254-A563 VanDerWaalsContact O-CB 3.22Å; N254-A563 WeakPolarHBondContact O-CB 3.1Å; N254-T564 CarbonylContact C-O 3.33Å; N254-T564 VanDerWaalsContact CB-C 3.42Å; N254-T564 WeakPolarHBondContact CB-O 3.42Å; N254-C565 HydrophobicContact CB-CB 3.37Å; N254-C565 WeakPolarHBondContact OD1-CB 3.21Å | ||
| 255 | S | 29.8 | Very low | 32.9 | Very low | 112 Ų | 112 | 121 Ų | 121 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | trans | -157.2 | 123.9 | 164.9 | 58.8 | 0 | 0 | 0 | 0 | 116.8 | T564 | S255-T564 CarbonylContact C-O 3.57Å; S255-T564 WeakPolarHBondContact CA-O 3.36Å; S255-T564 PolarHBondContact N-O 3.43Å | ||
| 256 | G | 33.3 | Very low | 32.5 | Very low | 28 Ų | 28 | 121.4 Ų | 121.4 | 29% | 0.289 | 71% | 0.707 | S | S | . | * | trans | 86.5 | 160 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T564 C565 | G256-T564 PolarHBondContact N-O 3.03Å; G256-C565 WeakPolarHBondContact O-CA 3.27Å | ||
| 257 | N | 28.9 | Very low | 31.9 | Very low | 145 Ų | 145 | 120 Ų | 120 | 78% | 0.775 | 70% | 0.699 | S | S | * | * | cis | -157.1 | 143.9 | -3.8 | -130.3 | -11.6 | 0 | 0 | 0 | 109.2 | ||||
| 258 | S | 30 | Very low | 31.2 | Very low | 92 Ų | 92 | 118.3 Ų | 118.3 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | 59 | 134.7 | 106.4 | -70.6 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 259 | L | 30.1 | Very low | 30.8 | Very low | 139 Ų | 139 | 116 Ų | 116 | 73% | 0.728 | 69% | 0.691 | S | S | * | * | cis | -168.9 | 156.4 | 13.5 | -103.6 | 157.9 | 0 | 0 | 0 | 112 | ||||
| 260 | L | 30.7 | Very low | 30.5 | Very low | 138 Ų | 138 | 115.6 Ų | 115.6 | 72% | 0.723 | 69% | 0.688 | S | S | * | * | trans | 63.3 | 160.5 | 147.8 | -64.4 | 167.3 | 0 | 0 | 0 | 121.2 | ||||
| 261 | H | 31.6 | Very low | 30.3 | Very low | 170 Ų | 170 | 113.1 Ų | 113.1 | 79% | 0.787 | 68% | 0.681 | S | S | * | * | cis | -165.6 | 172.8 | -43.6 | -122.4 | -140.4 | 0 | 0 | 0 | 110.6 | ||||
| 262 | P | 36.5 | Very low | 30.2 | Very low | 92 Ų | 92 | 112.4 Ų | 112.4 | 60% | 0.597 | 68% | 0.676 | S | S | * | * | trans | -124.5 | -140.4 | -147.6 | 47.4 | -37.1 | 0 | 0 | 0 | 114.8 | ||||
| 263 | A | 29.8 | Very low | 29.8 | Very low | 79 Ų | 79 | 113.6 Ų | 113.6 | 65% | 0.653 | 68% | 0.679 | S | S | * | * | trans | 83.3 | 142.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 264 | S | 29.2 | Very low | 29.7 | Very low | 119 Ų | 119 | 112.4 Ų | 112.4 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | cis | -178.3 | 155.8 | -7.9 | 47.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 265 | G | 29.2 | Very low | 29.6 | Very low | 66 Ų | 66 | 116.9 Ų | 116.9 | 68% | 0.68 | 69% | 0.694 | S | S | * | * | trans | 165.9 | 95.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 266 | V | 28.5 | Very low | 29.5 | Very low | 131 Ų | 131 | 115.5 Ų | 115.5 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | trans | 37.5 | 128.7 | 130.4 | -76.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 267 | N | 28.2 | Very low | 29.2 | Very low | 132 Ų | 132 | 121 Ų | 121 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | 97.2 | 114.4 | 129.2 | -68.7 | 0.9 | 0 | 0 | 0 | 123.1 | |||||
| 268 | N | 26.6 | Very low | 29.2 | Very low | 133 Ų | 133 | 117.7 Ų | 117.7 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | 74.4 | 103.9 | 124.3 | -66.6 | 8 | 0 | 0 | 0 | 122.8 | |||||
| 269 | S | 28.9 | Very low | 29.2 | Very low | 89 Ų | 89 | 121.6 Ų | 121.6 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | 75.4 | 150.9 | 110.5 | -50.3 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 270 | N | 29.5 | Very low | 29 | Very low | 145 Ų | 145 | 122.3 Ų | 122.3 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | 75.2 | 142.6 | 164.9 | -48.2 | -31.6 | 0 | 0 | 0 | 114.5 | ||||
| 271 | N | 27.7 | Very low | 29 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | cis | -161.8 | 161.7 | -11.2 | -128.8 | -7.8 | 0 | 0 | 0 | 112 | ||||
| 272 | T | 29.6 | Very low | 28.9 | Very low | 108 Ų | 108 | 117.7 Ų | 117.7 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | trans | 49.5 | 134.3 | 144.7 | 60.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 273 | N | 27.3 | Very low | 28.6 | Very low | 134 Ų | 134 | 122 Ų | 122 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | 113.4 | 110.2 | 116.8 | -96.8 | 24.8 | 0 | 0 | 0 | 122.3 | |||||
| 274 | T | 27.4 | Very low | 28.7 | Very low | 90 Ų | 90 | 123.4 Ų | 123.4 | 55% | 0.552 | 75% | 0.751 | S | S | * | * | 67.7 | 118.5 | 122.8 | 58.6 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 275 | Q | 28 | Very low | 29 | Very low | 181 Ų | 181 | 122.7 Ų | 122.7 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | 76.6 | 173.1 | 122.8 | -65.9 | 175.8 | 12.9 | 0 | 0 | 120.2 | |||||
| 276 | A | 28 | Very low | 29.2 | Very low | 83 Ų | 83 | 125.8 Ų | 125.8 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | trans | 69.3 | 95.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 277 | T | 26.6 | Very low | 29.7 | Very low | 144 Ų | 144 | 121.7 Ų | 121.7 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | 56.9 | 107.9 | 76 | 71.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 278 | G | 30 | Very low | 30.2 | Very low | 76 Ų | 76 | 118.2 Ų | 118.2 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | trans | -170.9 | 73.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 279 | H | 28.9 | Very low | 30.8 | Very low | 174 Ų | 174 | 116 Ų | 116 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | trans | 32.1 | 128.8 | 150.8 | -79.3 | -54 | 0 | 0 | 0 | 123.9 | ||||
| 280 | I | 27.3 | Very low | 31.1 | Very low | 154 Ų | 154 | 118.2 Ų | 118.2 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | trans | 67.3 | 122.5 | 130.1 | -59.1 | 166.6 | 0 | 0 | 0 | 119 | ||||
| 281 | G | 31 | Very low | 31.3 | Very low | 78 Ų | 78 | 113.9 Ų | 113.9 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | 172.8 | 79.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 282 | V | 28.9 | Very low | 31.7 | Very low | 132 Ų | 132 | 111.2 Ų | 111.2 | 80% | 0.8 | 71% | 0.705 | S | S | * | * | trans | -79.4 | 127.9 | -176 | -93.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 283 | H | 29.9 | Very low | 32.2 | Very low | 183 Ų | 183 | 107.5 Ų | 107.5 | 85% | 0.847 | 68% | 0.683 | S | S | * | * | 154.1 | 117 | 119 | -106.8 | -145.7 | 0 | 0 | 0 | 118 | |||||
| 284 | S | 32.9 | Very low | 32.7 | Very low | 109 Ų | 109 | 104.9 Ų | 104.9 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | trans | 77.1 | 116.6 | 138.7 | -147.1 | 0 | 0 | 0 | 0 | 127.6 | ||||
| 285 | S | 35.2 | Very low | 32.9 | Very low | 103 Ų | 103 | 102.8 Ų | 102.8 | 72% | 0.72 | 66% | 0.657 | S | S | * | * | trans | 96.4 | 109.1 | 133.6 | 29.9 | 0 | 0 | 0 | 0 | 128.5 | ||||
| 286 | C | 33.2 | Very low | 33.7 | Very low | 132 Ų | 132 | 101.5 Ų | 101.5 | 89% | 0.892 | 65% | 0.649 | S | S | * | * | trans | 73.4 | 164 | 154.2 | 82 | 0 | 0 | 0 | 0 | 124 | ||||
| 287 | G | 39.2 | Very low | 34.1 | Very low | 44 Ų | 44 | 103 Ų | 103 | 45% | 0.454 | 65% | 0.645 | S | S | . | * | cis | -178.1 | 179.1 | -0.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 288 | V | 37.8 | Very low | 34.5 | Very low | 60 Ų | 60 | 102.5 Ų | 102.5 | 36% | 0.364 | 63% | 0.631 | S | S | . | * | trans | -150.6 | 179.1 | -167.7 | -145.7 | 0 | 0 | 0 | 0 | 119.1 | L349 S350 G447 | V288-L349 HydrophobicContact CB-CD1 4.25Å; V288-L349 VanDerWaalsContact O-CD1 3.27Å; V288-L349 WeakPolarHBondContact O-CD1 3.38Å; V288-L349 WeakPolarHBondContact O-CD2 3.16Å; V288-S350 WeakPolarHBondContact CB-OG 2.93Å; V288-S350 WeakPolarHBondContact CG1-OG 3.33Å; V288-G447 WeakPolarHBondContact CG2-O 3.24Å | ||
| 289 | S | 39.5 | Very low | 34.7 | Very low | 85 Ų | 85 | 101.3 Ų | 101.3 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | trans | -163.1 | -172 | -179.4 | -162.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 290 | V | 35.8 | Very low | 34.7 | Very low | 136 Ų | 136 | 96.7 Ų | 96.7 | 82% | 0.824 | 59% | 0.594 | S | S | * | * | trans | 89.4 | 153.6 | 165.6 | -172.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 291 | G | 32.7 | Very low | 34.8 | Very low | 54 Ų | 54 | 93.4 Ų | 93.4 | 56% | 0.557 | 59% | 0.585 | S | S | * | * | trans | 150.8 | 0 | 158.1 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 292 | T | 37 | Very low | 34.7 | Very low | 76 Ų | 76 | 94 Ų | 94 | 47% | 0.466 | 58% | 0.577 | S | S | . | * | 0 | 0 | 0 | 56 | 0 | 0 | 0 | 0 | 126.6 | Q428 | T292-Q428 VanDerWaalsContact C-OE1 3.25Å; T292-Q428 HydrophobicContact CG2-CB 3.68Å; T292-Q428 HydrophobicContact CG2-CG 4.12Å; T292-Q428 PolarHBondContact O-OE1 2.81Å | |||
| 293 | P | 40.6 | Very low | 34.7 | Very low | 29 Ų | 29 | 92 Ų | 92 | 19% | 0.188 | 56% | 0.562 | C | S | . | * | 0 | 0 | 0 | 45.5 | -22.7 | 0 | 0 | 0 | 129.8 | H424 Q425 Q428 L432 | P293-H424 HydrophobicContact CB-CB 4.07Å; P293-H424 WeakPolarHBondContact CB-O 2.94Å; P293-Q425 HydrophobicContact CB-CB 3.59Å; P293-Q425 HydrophobicContact CB-CG 3.59Å; P293-Q425 HydrophobicContact CG-CB 3.96Å; P293-Q425 HydrophobicContact CG-CG 3.39Å; P293-Q425 WeakPolarHBondContact O-CB 3.5Å; P293-Q425 PolarHBondContact O-NE2 3.35Å; P293-Q428 HydrophobicContact CB-CB 4.08Å; P293-L432 HydrophobicContact CG-CD1 4.34Å | |||
| 294 | V | 37.3 | Very low | 34.6 | Very low | 79 Ų | 79 | 87.2 Ų | 87.2 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | 0 | 0 | 0 | -104.6 | 0 | 0 | 0 | 0 | 123.9 | L421 M422 Q425 | V294-L421 CarbonylContact C-O 3.16Å; V294-L421 PolarHBondContact N-O 2.79Å; V294-M422 WeakPolarHBondContact O-CA 3.32Å; V294-M422 WeakPolarHBondContact O-CG 3.37Å; V294-Q425 HydrophobicContact CB-CB 4.04Å; V294-Q425 HydrophobicContact CG1-CB 3.58Å; V294-Q425 HydrophobicContact CG1-CG 4.32Å | |||
| 295 | N | 31.7 | Very low | 34.4 | Very low | 46 Ų | 46 | 85.1 Ų | 85.1 | 25% | 0.246 | 53% | 0.532 | C | S | . | . | 0 | 0 | 0 | -179.4 | -12.4 | 0 | 0 | 0 | 120.3 | M422 Q425 Q426 | N295-M422 VanDerWaalsContact CA-O 3.29Å; N295-M422 WeakPolarHBondContact CA-O 3.32Å; N295-M422 PolarHBondContact N-SD 3.34Å; N295-Q425 PolarHBondContact ND2-O 3.45Å; N295-Q426 VanDerWaalsContact CG-NE2 3.31Å; N295-Q426 PolarHBondContact ND2-NE2 2.7Å; N295-Q426 VanDerWaalsContact ND2-NE2 3.16Å; N295-Q426 PolarHBondContact OD1-NE2 3.34Å | |||
| 296 | F | 45 | Very low | 34.2 | Very low | 155 Ų | 155 | 85.1 Ų | 85.1 | 68% | 0.68 | 52% | 0.522 | S | S | * | . | 0 | 0 | 0 | -106.1 | -56.4 | 0 | 0 | 0 | 126 | Y419 M422 | F296-Y419 HydrophobicContact CB-CE1 4.38Å; F296-M422 HydrophobicContact CB-CE 3.57Å; F296-M422 HydrophobicContact CB-SD 4.3Å | |||
| 297 | N | 35.5 | Very low | 33.9 | Very low | 113 Ų | 113 | 81.5 Ų | 81.5 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | 0 | 0 | 0 | -162.3 | -9.8 | 0 | 0 | 0 | 124.5 | |||||
| 298 | K | 35 | Very low | 33.6 | Very low | 134 Ų | 134 | 83 Ų | 83 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | 0 | 133.5 | 0 | -163.7 | -149.4 | 173.1 | -168.8 | 0 | 129 | K1227 | K298-K1227 HydrophobicContact CG-CG 4.38Š| |||
| 299 | S | 33.5 | Very low | 33.4 | Very low | 51 Ų | 51 | 85.2 Ų | 85.2 | 36% | 0.357 | 51% | 0.513 | S | S | . | . | 145 | 96.3 | 126.4 | -58.3 | 0 | 0 | 0 | 0 | 125.5 | C1230 | S299-C1230 VanDerWaalsContact CA-SG 3.59Å; S299-C1230 PolarHBondContact N-SG 3.01Å; S299-C1230 PolarHBondContact O-SG 2.88Å | |||
| 300 | T | 30.3 | Very low | 33 | Very low | 77 Ų | 77 | 85.2 Ų | 85.2 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | trans | 58.1 | 133.3 | 152.4 | 32.7 | 0 | 0 | 0 | 0 | 128.2 | K1226 | T300-K1226 WeakPolarHBondContact CA-O 3.48Å; T300-K1226 HydrophobicContact CG2-CB 3.92Å; T300-K1226 PolarHBondContact N-O 3.04Å | ||
| 301 | S | 28.5 | Very low | 32.9 | Very low | 85 Ų | 85 | 85.5 Ų | 85.5 | 59% | 0.594 | 51% | 0.505 | S | S | * | . | trans | 81.3 | 117.3 | 134.3 | 65.4 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 302 | S | 29.3 | Very low | 33 | Very low | 91 Ų | 91 | 87.1 Ų | 87.1 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | 77.4 | 102.1 | 125.2 | 69.8 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 303 | N | 28.4 | Very low | 32.8 | Very low | 90 Ų | 90 | 89.1 Ų | 89.1 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | 86.5 | 122.8 | 119.4 | -101.8 | -32.9 | 0 | 0 | 0 | 124.9 | N1283 | N303-N1283 VanDerWaalsContact CA-OD1 3.29Å; N303-N1283 WeakPolarHBondContact CA-OD1 3.22Å; N303-N1283 HydrophobicContact CB-CB 4.15Å; N303-N1283 VanDerWaalsContact CG-CB 3.45Å; N303-N1283 VanDerWaalsContact N-CG 3.34Å; N303-N1283 PolarHBondContact N-OD1 3.39Å; N303-N1283 WeakPolarHBondContact OD1-CB 3.23Å; N303-N1283 VanDerWaalsContact OD1-CG 3.22Å; N303-N1283 PolarHBondContact OD1-ND2 2.79Å | |||
| 304 | S | 28 | Very low | 32.5 | Very low | 82 Ų | 82 | 95.1 Ų | 95.1 | 57% | 0.573 | 55% | 0.545 | S | S | * | . | trans | 82.8 | 84 | 141.2 | 46.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 305 | T | 28.8 | Very low | 32.3 | Very low | 65 Ų | 65 | 96.3 Ų | 96.3 | 40% | 0.399 | 55% | 0.553 | S | S | . | * | 56.3 | 150.7 | 106.2 | 53 | 0 | 0 | 0 | 0 | 124.5 | T1297 T1298 | T305-T1297 PolarHBondContact OG1-O 2.79Å; T305-T1298 HydrophobicContact CG2-CG2 4.02Å; T305-T1298 WeakPolarHBondContact CG2-OG1 3.46Å | |||
| 306 | I | 30.3 | Very low | 32.5 | Very low | 103 Ų | 103 | 100 Ų | 100 | 53% | 0.528 | 58% | 0.578 | S | S | . | * | trans | 80.6 | 138.2 | 161 | -61 | 147.5 | 0 | 0 | 0 | 116.4 | T1297 T1299 | I306-T1297 WeakPolarHBondContact CD1-O 3.4Å; I306-T1299 WeakPolarHBondContact CD1-OG1 2.94Å | ||
| 307 | S | 28.5 | Very low | 31.9 | Very low | 57 Ų | 57 | 98.5 Ų | 98.5 | 40% | 0.399 | 58% | 0.581 | S | S | . | * | cis | -166.9 | 143.8 | -21.2 | -98.7 | 0 | 0 | 0 | 0 | 109.6 | T1299 | S307-T1299 PolarHBondContact OG-O 2.74Å; S307-T1299 VanDerWaalsContact OG-O 3.08Å | ||
| 308 | T | 32.4 | Very low | 32 | Very low | 75 Ų | 75 | 100 Ų | 100 | 46% | 0.46 | 59% | 0.594 | S | S | . | * | 87.7 | 152 | 72.8 | -42.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 309 | T | 32.3 | Very low | 31.7 | Very low | 107 Ų | 107 | 99.5 Ų | 99.5 | 66% | 0.656 | 60% | 0.603 | S | S | * | * | trans | 97.8 | 149.3 | 162.3 | -37.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 310 | T | 32.5 | Very low | 31.6 | Very low | 85 Ų | 85 | 103.2 Ų | 103.2 | 52% | 0.521 | 62% | 0.623 | S | S | . | * | -169 | 159.5 | -92.9 | 35.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 311 | I | 33.2 | Very low | 31.4 | Very low | 142 Ų | 142 | 106.5 Ų | 106.5 | 73% | 0.728 | 64% | 0.637 | S | S | * | * | trans | 85.8 | 108.8 | 138.5 | -80.3 | 164.2 | 0 | 0 | 0 | 122.3 | ||||
| 312 | T | 33.9 | Very low | 31.4 | Very low | 88 Ų | 88 | 108.1 Ų | 108.1 | 54% | 0.54 | 64% | 0.643 | S | S | . | * | 74.6 | 113.1 | 117.2 | -47.9 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 313 | T | 33.8 | Very low | 31.4 | Very low | 117 Ų | 117 | 111.2 Ų | 111.2 | 72% | 0.718 | 65% | 0.652 | S | S | * | * | 36.7 | 149.2 | 115.1 | -15.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 314 | I | 33.3 | Very low | 31.4 | Very low | 155 Ų | 155 | 111.6 Ų | 111.6 | 80% | 0.795 | 66% | 0.658 | S | S | * | * | -162.7 | 159.9 | 79.1 | -83.7 | 177.9 | 0 | 0 | 0 | 113.7 | |||||
| 315 | T | 34.1 | Very low | 31.4 | Very low | 104 Ų | 104 | 114 Ų | 114 | 64% | 0.638 | 66% | 0.664 | S | S | * | * | trans | -76.4 | 164.1 | -173.1 | -28.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 316 | T | 35.1 | Very low | 31.5 | Very low | 125 Ų | 125 | 116.5 Ų | 116.5 | 77% | 0.767 | 68% | 0.68 | S | S | * | * | trans | -158.3 | 164.6 | 133.4 | -4.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 317 | T | 33.7 | Very low | 31.4 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -134.2 | 155.8 | -166.8 | 37.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 318 | T | 36.7 | Very low | 31.6 | Very low | 143 Ų | 143 | 120.8 Ų | 120.8 | 88% | 0.877 | 70% | 0.703 | S | S | * | * | trans | -159 | 151.6 | 160 | -67.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 319 | T | 29 | Very low | 31.4 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | trans | -110.2 | 151.4 | -174.4 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 320 | T | 31.9 | Very low | 31.7 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | -169.9 | 116.9 | 147.6 | 7.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 321 | I | 26.5 | Very low | 31.6 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | 49.4 | 106.4 | 126.9 | -60.8 | -179.7 | 0 | 0 | 0 | 120.4 | |||||
| 322 | V | 27.3 | Very low | 31.5 | Very low | 119 Ų | 119 | 123 Ų | 123 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | trans | 57.9 | 115.7 | 131.4 | -177.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 323 | N | 29.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 125 Ų | 125 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | -155.1 | 160.9 | 109.6 | -125.2 | -36.9 | 0 | 0 | 0 | 114.6 | |||||
| 324 | T | 28.7 | Very low | 31.2 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | trans | -97.7 | 154.8 | -171.7 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 325 | N | 28.7 | Very low | 31 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | 171.2 | 137.5 | 109.9 | -87.5 | -24.1 | 0 | 0 | 0 | 114.6 | |||||
| 326 | T | 29.8 | Very low | 30.8 | Very low | 118 Ų | 118 | 126 Ų | 126 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | trans | 63.9 | 141.1 | 147.5 | 57.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 327 | N | 28.8 | Very low | 30.5 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | cis | -157.6 | 171.2 | 3.2 | -126.3 | -16.2 | 0 | 0 | 0 | 114.1 | ||||
| 328 | T | 33.2 | Very low | 30.1 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | trans | 62.9 | 89.7 | 155.8 | 47.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 329 | S | 28.9 | Very low | 29.9 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | 68.8 | 152.3 | 104.2 | -70.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 330 | P | 37.9 | Very low | 29.8 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | trans | -135.9 | -143.3 | -130.5 | 44.8 | -26.3 | 0 | 0 | 0 | 113.5 | ||||
| 331 | N | 29.6 | Very low | 29.6 | Very low | 147 Ų | 147 | 121.1 Ų | 121.1 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | trans | 90.7 | 139.6 | 174.9 | -68.6 | -7.3 | 0 | 0 | 0 | 116.3 | ||||
| 332 | S | 31.5 | Very low | 29.7 | Very low | 83 Ų | 83 | 121.2 Ų | 121.2 | 58% | 0.58 | 72% | 0.719 | S | S | * | * | cis | -171.4 | 158.5 | -12.8 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 333 | N | 30.9 | Very low | 29.8 | Very low | 129 Ų | 129 | 118.1 Ų | 118.1 | 69% | 0.69 | 70% | 0.703 | S | S | * | * | trans | 81.1 | 109 | 148.4 | -63 | -17.4 | 0 | 0 | 0 | 120.7 | ||||
| 334 | N | 29.6 | Very low | 29.9 | Very low | 131 Ų | 131 | 115.2 Ų | 115.2 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | 67.6 | 115.4 | 117.4 | -55.4 | -4.3 | 0 | 0 | 0 | 118.5 | |||||
| 335 | S | 30.1 | Very low | 29.9 | Very low | 98 Ų | 98 | 116 Ų | 116 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | cis | 80.5 | 118.9 | 46.8 | 82.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 336 | I | 28.9 | Very low | 30.1 | Very low | 168 Ų | 168 | 112.7 Ų | 112.7 | 86% | 0.862 | 66% | 0.664 | S | S | * | * | trans | 176.1 | 126.1 | 143.1 | -91.2 | 150.6 | 0 | 0 | 0 | 102.1 | ||||
| 337 | G | 29 | Very low | 30.1 | Very low | 60 Ų | 60 | 115.9 Ų | 115.9 | 62% | 0.619 | 66% | 0.663 | S | S | * | * | cis | 97.2 | 130.3 | 43.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 338 | S | 26.9 | Very low | 30.1 | Very low | 102 Ų | 102 | 115.6 Ų | 115.6 | 71% | 0.713 | 66% | 0.657 | S | S | * | * | cis | -162.6 | -173.3 | 12.1 | -56.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 339 | I | 30.6 | Very low | 29.9 | Very low | 156 Ų | 156 | 114.2 Ų | 114.2 | 80% | 0.8 | 65% | 0.645 | S | S | * | * | trans | 58.3 | 145.1 | 151.3 | 64.9 | 169.2 | 0 | 0 | 0 | 119.6 | ||||
| 340 | D | 28.1 | Very low | 29.8 | Very low | 133 Ų | 133 | 112 Ų | 112 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | cis | -163.3 | 155.3 | -30 | -128.8 | -58.5 | 0 | 0 | 0 | 109.3 | ||||
| 341 | S | 27.2 | Very low | 29.3 | Very low | 92 Ų | 92 | 111.1 Ų | 111.1 | 64% | 0.643 | 63% | 0.626 | S | S | * | * | trans | 34.3 | 124.4 | 141.6 | -63.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 342 | L | 27.8 | Very low | 29.3 | Very low | 148 Ų | 148 | 109.8 Ų | 109.8 | 78% | 0.775 | 63% | 0.628 | S | S | * | * | trans | 84.2 | 117 | 135.9 | -94.2 | 67.4 | 0 | 0 | 0 | 123.4 | ||||
| 343 | S | 30.6 | Very low | 29 | Very low | 55 Ų | 55 | 113.4 Ų | 113.4 | 39% | 0.385 | 64% | 0.641 | S | S | . | * | 96.2 | 143.8 | 108.9 | -158.1 | 0 | 0 | 0 | 0 | 122.2 | S453 E454 | S343-S453 VanDerWaalsContact C-OG 3.23Å; S343-S453 WeakPolarHBondContact O-CB 3.28Å; S343-S453 PolarHBondContact O-OG 3.47Å; S343-E454 CarbonylContact C-O 3.53Å; S343-E454 WeakPolarHBondContact CA-O 3.48Å; S343-E454 PolarHBondContact N-OE1 2.88Å | |||
| 344 | K | 30.2 | Very low | 28.8 | Very low | 93 Ų | 93 | 115.6 Ų | 115.6 | 40% | 0.404 | 65% | 0.652 | S | S | . | * | trans | -51.9 | 156.8 | -168.7 | -106.3 | 170.9 | -146.3 | 162.2 | 0 | 115.2 | E454 A455 | K344-E454 WeakPolarHBondContact CA-O 3.48Å; K344-E454 WeakPolarHBondContact CB-O 3.28Å; K344-E454 WeakPolarHBondContact CG-O 3.49Å; K344-E454 PolarHBondContact N-O 3.24Å; K344-A455 WeakPolarHBondContact CD-O 3.44Å; K344-A455 WeakPolarHBondContact CE-O 3.4Å; K344-A455 VanDerWaalsContact CG-O 3.28Å; K344-A455 WeakPolarHBondContact CG-O 3.37Å; K344-A455 VanDerWaalsContact NZ-C 3.34Å; K344-A455 PolarHBondContact NZ-O 3.48Å | ||
| 345 | H | 29.9 | Very low | 28.6 | Very low | 116 Ų | 116 | 114 Ų | 114 | 54% | 0.537 | 65% | 0.651 | S | S | . | * | cis | -170.8 | 129.8 | 35.5 | -134 | -49.3 | 0 | 0 | 0 | 114 | T452 S453 | H345-T452 CarbonylContact C-O 3.27Å; H345-T452 VanDerWaalsContact C-OG1 3.24Å; H345-T452 VanDerWaalsContact N-CB 3.25Å; H345-T452 PolarHBondContact N-OG1 3Å; H345-T452 PolarHBondContact O-OG1 2.74Å; H345-T452 VanDerWaalsContact O-OG1 3.08Å; H345-S453 WeakPolarHBondContact CA-O 3.3Å | ||
| 346 | T | 32.2 | Very low | 28.3 | Very low | 63 Ų | 63 | 114.9 Ų | 114.9 | 39% | 0.387 | 65% | 0.652 | S | S | . | * | trans | 64.7 | 163.9 | 137.9 | -73.2 | 0 | 0 | 0 | 0 | 121.5 | T452 | T346-T452 PolarHBondContact N-O 3.27Š| ||
| 347 | R | 30.1 | Very low | 28.1 | Very low | 185 Ų | 185 | 112.4 Ų | 112.4 | 70% | 0.698 | 65% | 0.645 | S | S | * | * | trans | 70.2 | 155.5 | 167.8 | -78.7 | 159.6 | -137.9 | -77.6 | 0.3 | 118.4 | C450 T451 | R347-C450 CarbonylContact O-C 3.59Å; R347-T451 PolarHBondContact O-N 2.9Å | ||
| 348 | Q | 29.7 | Very low | 28 | Very low | 130 Ų | 130 | 116 Ų | 116 | 61% | 0.607 | 66% | 0.655 | S | S | * | * | cis | -172.5 | 173.6 | -31.6 | -162 | 174.2 | 13.7 | 0 | 0 | 109.6 | ||||
| 349 | L | 27.5 | Very low | 28 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 44% | 0.44 | 65% | 0.654 | S | S | . | * | trans | 94 | 148.7 | 150.5 | -64.1 | 167 | 0 | 0 | 0 | 121 | V288 | V288-L349 HydrophobicContact CB-CD1 4.25Å; V288-L349 VanDerWaalsContact O-CD1 3.27Å; V288-L349 WeakPolarHBondContact O-CD1 3.38Å; V288-L349 WeakPolarHBondContact O-CD2 3.16Å | ||
| 350 | S | 27.8 | Very low | 27.7 | Very low | 68 Ų | 68 | 116.8 Ų | 116.8 | 48% | 0.476 | 66% | 0.656 | S | S | . | * | trans | 81.9 | 100.7 | 153.9 | -55.6 | 0 | 0 | 0 | 0 | 119.2 | V288 | V288-S350 WeakPolarHBondContact CB-OG 2.93Å; V288-S350 WeakPolarHBondContact CG1-OG 3.33Å | ||
| 351 | S | 26.9 | Very low | 27.7 | Very low | 92 Ų | 92 | 113.4 Ų | 113.4 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | trans | -63.9 | 144.6 | 155.3 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 352 | S | 29.5 | Very low | 27.7 | Very low | 119 Ų | 119 | 116.3 Ų | 116.3 | 83% | 0.832 | 66% | 0.661 | S | S | * | * | trans | -165.9 | 147.1 | 132.3 | 44.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 353 | N | 25.4 | Very low | 27.6 | Very low | 160 Ų | 160 | 115.4 Ų | 115.4 | 86% | 0.856 | 66% | 0.656 | S | S | * | * | trans | -81 | 135.1 | 178.6 | -58.6 | -60.3 | 0 | 0 | 0 | 110.4 | ||||
| 354 | L | 26.8 | Very low | 27.4 | Very low | 174 Ų | 174 | 118.7 Ų | 118.7 | 91% | 0.911 | 67% | 0.668 | S | S | * | * | trans | -154.8 | 118.7 | 140.5 | -136.4 | 71.6 | 0 | 0 | 0 | 111.3 | ||||
| 355 | S | 24.4 | Very low | 27.4 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | trans | -65.1 | 153.3 | 151.2 | -49.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 356 | T | 24.4 | Very low | 27.2 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 71% | 0.712 | 70% | 0.695 | S | S | * | * | -173.8 | 175.8 | 64.3 | 45 | 0 | 0 | 0 | 0 | 110 | |||||
| 357 | T | 25.8 | Very low | 27.3 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | trans | 51.5 | 108.7 | 150.3 | 47.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 358 | V | 26.4 | Very low | 27.4 | Very low | 134 Ų | 134 | 122.4 Ų | 122.4 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | cis | 49.1 | 92.3 | 48.1 | -165.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 359 | E | 26.2 | Very low | 27.6 | Very low | 152 Ų | 152 | 122 Ų | 122 | 71% | 0.71 | 72% | 0.717 | S | S | * | * | -161.4 | 166.7 | 117.9 | -116.1 | 176.5 | 168.6 | 0 | 0 | 113.6 | |||||
| 360 | C | 24.9 | Very low | 27.9 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | trans | -45.9 | 156.2 | 175.7 | -52.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 361 | G | 28.1 | Very low | 28.2 | Very low | 63 Ų | 63 | 126.1 Ų | 126.1 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | cis | 133.9 | -174.3 | 19.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 362 | N | 26.6 | Very low | 28.4 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | 66 | 154.5 | 174.4 | -65.9 | -19 | 0 | 0 | 0 | 115.7 | ||||
| 363 | I | 26.5 | Very low | 28.3 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | cis | -149.8 | 140.9 | -5.2 | -120.4 | 160.9 | 0 | 0 | 0 | 110.5 | ||||
| 364 | I | 26.4 | Very low | 28.6 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | trans | 23.9 | 133.1 | 146.1 | -38.5 | 156.7 | 0 | 0 | 0 | 120.4 | ||||
| 365 | L | 30.9 | Very low | 28.7 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | 156.8 | 94.6 | 124.9 | -82 | 169.9 | 0 | 0 | 0 | 109.7 | |||||
| 366 | D | 25.7 | Very low | 29 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | 60.5 | 105.1 | 86.1 | -81.3 | -35.5 | 0 | 0 | 0 | 115.9 | |||||
| 367 | S | 34.3 | Very low | 29.2 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | -174.7 | 118 | 121 | -80.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 368 | N | 31.9 | Very low | 29.3 | Very low | 142 Ų | 142 | 125.5 Ų | 125.5 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | 41.4 | 133 | 128.8 | -53.9 | -22.1 | 0 | 0 | 0 | 119.4 | |||||
| 369 | N | 33.4 | Very low | 29.4 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 65% | 0.652 | 73% | 0.727 | S | S | * | * | cis | -156.9 | 165.6 | 29.2 | -135.6 | 35.5 | 0 | 0 | 0 | 114.1 | ||||
| 370 | D | 34.5 | Very low | 29.5 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | trans | 73.2 | 88.4 | 149.4 | -65.1 | -35.8 | 0 | 0 | 0 | 122.2 | ||||
| 371 | N | 32.4 | Very low | 29.6 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 65% | 0.652 | 72% | 0.722 | S | S | * | * | 100.1 | 101.3 | 113.3 | -64.5 | -36.5 | 0 | 0 | 0 | 122.7 | |||||
| 372 | T | 31.1 | Very low | 29.6 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | 66.1 | 141.2 | 127.3 | 63.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 373 | L | 29.2 | Very low | 29.7 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | cis | -154.4 | 171.6 | 6 | -150 | 66.3 | 0 | 0 | 0 | 112.2 | ||||
| 374 | T | 31 | Very low | 29.8 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | -34.2 | 162.5 | 168.2 | 55.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 375 | G | 29.6 | Very low | 30.1 | Very low | 62 Ų | 62 | 126.2 Ų | 126.2 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | cis | 129 | 106.3 | -0.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 376 | T | 29.8 | Very low | 29.9 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | 68.8 | 153.8 | 131.6 | -28.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 377 | I | 29.1 | Very low | 30.2 | Very low | 139 Ų | 139 | 121.6 Ų | 121.6 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | 103.4 | 87.9 | 153.9 | -49.3 | -177.1 | 0 | 0 | 0 | 120.2 | ||||
| 378 | N | 27.8 | Very low | 29.7 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | 53.9 | 143 | 114.8 | -47.9 | -8.4 | 0 | 0 | 0 | 125.8 | |||||
| 379 | S | 28.4 | Very low | 29.3 | Very low | 119 Ų | 119 | 121.6 Ų | 121.6 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | trans | 83.6 | 157.2 | 143.6 | 81.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 380 | A | 29.3 | Very low | 28.8 | Very low | 82 Ų | 82 | 118.2 Ų | 118.2 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | cis | -153.9 | 144 | 14.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 381 | F | 26.7 | Very low | 28.4 | Very low | 173 Ų | 173 | 114.1 Ų | 114.1 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | trans | 53.5 | 107.9 | 137 | -80.7 | -99.1 | 0 | 0 | 0 | 124.8 | ||||
| 382 | T | 27.1 | Very low | 28.1 | Very low | 99 Ų | 99 | 109.9 Ų | 109.9 | 61% | 0.607 | 66% | 0.662 | S | S | * | * | 50.2 | 133.6 | 122.3 | 64.7 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 383 | T | 29.8 | Very low | 27.8 | Very low | 130 Ų | 130 | 107.2 Ų | 107.2 | 80% | 0.798 | 64% | 0.639 | S | S | * | * | trans | -159 | 103.1 | 144.2 | -70.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 384 | T | 27.1 | Very low | 27.7 | Very low | 122 Ų | 122 | 105.3 Ų | 105.3 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | 68.1 | 114.6 | 98.1 | -44.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 385 | I | 32.4 | Very low | 27.7 | Very low | 167 Ų | 167 | 105.9 Ų | 105.9 | 86% | 0.856 | 64% | 0.638 | S | S | * | * | trans | 173.9 | 144.8 | 133.7 | -90.2 | 156 | 0 | 0 | 0 | 109.4 | ||||
| 386 | A | 28.4 | Very low | 27.5 | Very low | 84 Ų | 84 | 107.8 Ų | 107.8 | 69% | 0.694 | 64% | 0.641 | S | S | * | * | trans | -100.5 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 387 | P | 30.8 | Very low | 27.3 | Very low | 106 Ų | 106 | 109.2 Ų | 109.2 | 69% | 0.688 | 64% | 0.644 | S | S | * | * | cis | -144.7 | -168.5 | 17.1 | 41.1 | -18.9 | 0 | 0 | 0 | 117.4 | ||||
| 388 | N | 23.2 | Very low | 27.1 | Very low | 140 Ų | 140 | 110 Ų | 110 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 98.1 | 113.2 | 159.1 | -56.9 | -21.9 | 0 | 0 | 0 | 119.6 | S390 | N388-S390 PolarHBondContact O-N 3.37Š|
| 389 | N | 23.7 | Very low | 26.8 | Very low | 108 Ų | 108 | 111.2 Ų | 111.2 | 58% | 0.578 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 61.6 | 31.5 | 154.6 | -73.1 | -12.7 | 0 | 0 | 0 | 120.4 | A1273 | N389-A1273 PolarHBondContact O-N 2.87Š|
| 390 | S | 24.5 | Very low | 26.4 | Very low | 51 Ų | 51 | 111.2 Ų | 111.2 | 36% | 0.357 | 66% | 0.655 | S | S | . | * | trans | -121.2 | 107.4 | 144.8 | 65.4 | 0 | 0 | 0 | 0 | 106.8 | N388 K1269 I1271 | N388-S390 PolarHBondContact O-N 3.37Å; S390-K1269 CarbonylContact C-O 3.56Å; S390-K1269 WeakPolarHBondContact CB-O 3.09Å; S390-K1269 PolarHBondContact OG-O 2.93Å; S390-I1271 VanDerWaalsContact CB-O 3.26Å; S390-I1271 WeakPolarHBondContact CB-O 3.44Å | ||
| 391 | S | 25.9 | Very low | 26.1 | Very low | 31 Ų | 31 | 110.4 Ų | 110.4 | 22% | 0.217 | 65% | 0.654 | C | S | . | * | 77 | 130.8 | 88.2 | 83 | 0 | 0 | 0 | 0 | 114.8 | F1268 K1269 I1271 | S391-F1268 PolarHBondContact OG-O 3.32Å; S391-F1268 VanDerWaalsContact OG-O 3.12Å; S391-K1269 VanDerWaalsContact O-CA 3.3Å; S391-K1269 WeakPolarHBondContact O-CA 3.04Å; S391-K1269 PolarHBondContact OG-O 2.59Å; S391-K1269 VanDerWaalsContact OG-O 3.12Å; S391-I1271 WeakPolarHBondContact CB-O 3.31Å; S391-I1271 PolarHBondContact OG-O 3.33Å | |||
| 392 | N | 25.2 | Very low | 26.1 | Very low | 32 Ų | 32 | 107.7 Ų | 107.7 | 17% | 0.171 | 66% | 0.657 | C | S | . | * | trans | 77.5 | 137.1 | 150.4 | -52 | -35.4 | 0 | 0 | 0 | 122.6 | K1244 F1268 K1269 | N392-K1244 WeakPolarHBondContact OD1-CD 3.26Å; N392-K1244 PolarHBondContact OD1-NZ 3.14Å; N392-F1268 HydrophobicContact CB-CD1 3.33Å; N392-F1268 HydrophobicContact CB-CE1 3.48Å; N392-F1268 VanDerWaalsContact CB-CE1 3.48Å; N392-F1268 HydrophobicContact CB-CG 4.41Å; N392-F1268 WeakPolarHBondContact ND2-CD1 3.44Å; N392-F1268 VanDerWaalsContact ND2-CE1 3.35Å; N392-F1268 WeakPolarHBondContact ND2-CE1 3.27Å; N392-F1268 PolarHBondContact ND2-O 2.84Å; N392-K1269 HydrophobicContact CB-CG 4.11Å; N392-K1269 WeakPolarHBondContact O-CE 3.28Å; N392-K1269 WeakPolarHBondContact O-CG 3.4Å | ||
| 393 | Y | 24.1 | Very low | 26.1 | Very low | 62 Ų | 62 | 109.9 Ų | 109.9 | 24% | 0.243 | 67% | 0.669 | C | S | . | * | trans | 42.7 | 150 | 161.9 | -74.7 | -65.4 | 0 | 0 | 0 | 123.7 | L408 R409 M1241 F1268 K1269 | Y393-L408 HydrophobicContact CE1-CB 4.41Å; Y393-R409 HydrophobicContact CD2-CG 4.41Å; Y393-R409 HydrophobicContact CE1-CB 3.9Å; Y393-R409 HydrophobicContact CE1-CG 4.43Å; Y393-R409 HydrophobicContact CE2-CB 3.97Å; Y393-R409 VanDerWaalsContact CE2-CD 3.46Å; Y393-R409 HydrophobicContact CE2-CG 3.59Å; Y393-R409 WeakPolarHBondContact OH-CA 3.49Å; Y393-M1241 HydrophobicContact CD2-CE 4.47Å; Y393-M1241 HydrophobicContact CE2-CE 3.47Å; Y393-M1241 VanDerWaalsContact CE2-CE 3.47Å; Y393-M1241 VanDerWaalsContact OH-CE 3.29Å; Y393-M1241 WeakPolarHBondContact OH-CE 3.07Å; Y393-F1268 AromaticContact CD2-CD1 3.95Å; Y393-F1268 HydrophobicContact CD2-CD1 3.95Å; Y393-F1268 AromaticContact CD2-CE1 3.52Å; Y393-F1268 HydrophobicContact CD2-CE1 3.52Å; Y393-F1268 HydrophobicContact CE2-CD1 4.33Å; Y393-F1268 AromaticContact CE2-CE1 3.51Å; Y393-F1268 HydrophobicContact CE2-CE1 3.51Å; Y393-F1268 HydrophobicContact CE2-CZ 4.16Å; Y393-K1269 WeakPolarHBondContact O-CE 3.38Å; Y393-K1269 PolarHBondContact O-NZ 3.11Å | ||
| 394 | T | 27.3 | Very low | 26.1 | Very low | 110 Ų | 110 | 107.4 Ų | 107.4 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | trans | 63.3 | 88.7 | 156.2 | 45.6 | 0 | 0 | 0 | 0 | 120.1 | K1269 | T394-K1269 PolarHBondContact OG1-NZ 3.4Š| ||
| 395 | T | 31.4 | Very low | 26.3 | Very low | 138 Ų | 138 | 104.8 Ų | 104.8 | 85% | 0.847 | 67% | 0.667 | S | S | * | * | trans | -147.7 | 152.5 | 139.1 | 32.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 396 | S | 26.2 | Very low | 26.5 | Very low | 102 Ų | 102 | 101.5 Ų | 101.5 | 71% | 0.713 | 66% | 0.657 | S | S | * | * | cis | -167.6 | 141.4 | -34 | 45.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 397 | N | 25.5 | Very low | 27 | Very low | 164 Ų | 164 | 101.2 Ų | 101.2 | 88% | 0.877 | 65% | 0.648 | S | S | * | * | trans | -157.5 | 143.6 | 151.4 | -137.9 | -11.9 | 0 | 0 | 0 | 110.8 | ||||
| 398 | N | 24.8 | Very low | 27.5 | Very low | 156 Ų | 156 | 101.1 Ų | 101.1 | 83% | 0.834 | 64% | 0.641 | S | S | * | * | trans | -98.9 | 133.6 | -168.6 | -66.7 | -50.4 | 0 | 0 | 0 | 112.6 | ||||
| 399 | N | 20.9 | Very low | 28.6 | Very low | 159 Ų | 159 | 97.4 Ų | 97.4 | 85% | 0.85 | 62% | 0.616 | S | S | * | * | trans | -148.4 | 167.8 | 131.2 | -158.8 | 9.7 | 0 | 0 | 0 | 110.5 | ||||
| 400 | C | 21.2 | Very low | 29.7 | Very low | 120 Ų | 120 | 97.5 Ų | 97.5 | 81% | 0.811 | 62% | 0.616 | S | S | * | * | trans | -64.9 | 130.6 | 173.5 | 179.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 401 | G | 22.4 | Very low | 30.6 | Very low | 65 Ų | 65 | 101.6 Ų | 101.6 | 67% | 0.67 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 93 | 166.4 | 148.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 402 | S | 26.2 | Very low | 31.6 | Very low | 115 Ų | 115 | 105.4 Ų | 105.4 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 37.2 | 119.8 | 144.4 | -154.6 | 0 | 0 | 0 | 0 | 120.2 | ||
| 403 | V | 27.3 | Very low | 32.7 | Very low | 145 Ų | 145 | 106.8 Ų | 106.8 | 88% | 0.879 | 65% | 0.652 | S | S | * | * | trans | 58.4 | 103.5 | 154.4 | -178.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 404 | G | 30.7 | Very low | 33.8 | Very low | 78 Ų | 78 | 110.1 Ų | 110.1 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | trans | 176.7 | 97.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 405 | G | 30.6 | Very low | 34.8 | Very low | 67 Ų | 67 | 107.8 Ų | 107.8 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | trans | 74.8 | 135.9 | 157 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 406 | P | 36.1 | Very low | 35.6 | Very low | 98 Ų | 98 | 102.7 Ų | 102.7 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | trans | -60.7 | 141.7 | 166.4 | -22.2 | 34.1 | 0 | 0 | 0 | 111.2 | L410 | P406-L410 HydrophobicContact CB-CB 4.1Å; P406-L410 HydrophobicContact CB-CD2 4.47Å | ||
| 407 | P | 39.2 | Very low | 36.8 | Very low | 78 Ų | 78 | 99.4 Ų | 99.4 | 51% | 0.506 | 60% | 0.603 | S | S | . | * | trans | -52.6 | 151 | 179.4 | -28 | 33.8 | 0 | 0 | 0 | 112.8 | R409 L410 R411 | P407-R409 HydrophobicContact CB-CB 4.32Å; P407-R409 PolarHBondContact O-N 2.95Å; P407-L410 HydrophobicContact CG-CD1 4.43Å; P407-L410 CarbonylContact O-C 3.55Å; P407-L410 WeakPolarHBondContact O-CA 3.42Å; P407-L410 PolarHBondContact O-N 3.19Å; P407-R411 PolarHBondContact O-N 3.2Å | ||
| 408 | L | 42.1 | Very low | 37.8 | Very low | 104 Ų | 104 | 95.7 Ų | 95.7 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -51.6 | -28.4 | 170.8 | -86.6 | 168.3 | 0 | 0 | 0 | 112.6 | Y393 R411 F412 | Y393-L408 HydrophobicContact CE1-CB 4.41Å; L408-R411 CarbonylContact O-C 3.57Å; L408-R411 PolarHBondContact O-N 3.13Å; L408-F412 HydrophobicContact CB-CD2 4.42Å; L408-F412 HydrophobicContact CB-CE2 4.3Å; L408-F412 HydrophobicContact CD2-CE2 3.98Å; L408-F412 HydrophobicContact CD2-CZ 4.3Å; L408-F412 WeakPolarHBondContact O-CD2 3.2Å; L408-F412 PolarHBondContact O-N 3.2Å |
| 409 | R | 45.5 | Very low | 38.7 | Very low | 63 Ų | 63 | 93.9 Ų | 93.9 | 24% | 0.238 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -64.8 | -46.7 | 172.8 | -163.6 | 166.4 | -177.2 | 163.5 | -4.3 | 113.5 | Y393 P407 R411 A413 E1248 F1268 | Y393-R409 HydrophobicContact CD2-CG 4.41Å; Y393-R409 HydrophobicContact CE1-CB 3.9Å; Y393-R409 HydrophobicContact CE1-CG 4.43Å; Y393-R409 HydrophobicContact CE2-CB 3.97Å; Y393-R409 VanDerWaalsContact CE2-CD 3.46Å; Y393-R409 HydrophobicContact CE2-CG 3.59Å; Y393-R409 WeakPolarHBondContact OH-CA 3.49Å; P407-R409 HydrophobicContact CB-CB 4.32Å; P407-R409 PolarHBondContact O-N 2.95Å; R409-R411 VanDerWaalsContact C-N 3.31Å; R409-A413 VanDerWaalsContact O-CB 3.28Å; R409-A413 WeakPolarHBondContact O-CB 3.3Å; R409-A413 PolarHBondContact O-N 3.43Å; R409-E1248 IonicContact CZ-OE2 2.74Å; R409-E1248 IonicContact NH2-OE2 3.01Å; R409-E1248 PolarHBondContact NH2-OE2 3.34Å; R409-F1268 VanDerWaalsContact NH1-CD1 3.3Å; R409-F1268 VanDerWaalsContact NH2-CG 3.25Å |
| 410 | L | 47.1 | Very low | 40.4 | Very low | 109 Ų | 109 | 90 Ų | 90 | 57% | 0.571 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.1 | -28.8 | 168.8 | -96.8 | 79.4 | 0 | 0 | 0 | 111.8 | P406 P407 K414 | P406-L410 HydrophobicContact CB-CB 4.1Å; P406-L410 HydrophobicContact CB-CD2 4.47Å; P407-L410 HydrophobicContact CG-CD1 4.43Å; P407-L410 CarbonylContact O-C 3.55Å; P407-L410 WeakPolarHBondContact O-CA 3.42Å; P407-L410 PolarHBondContact O-N 3.19Å; L410-K414 WeakPolarHBondContact O-CA 3.46Å; L410-K414 WeakPolarHBondContact O-CB 3.49Å; L410-K414 PolarHBondContact O-N 3.34Å |
| 411 | R | 43.9 | Very low | 41.9 | Very low | 137 Ų | 137 | 88.8 Ų | 88.8 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.2 | -43.3 | 179.6 | -167.5 | 176.5 | 176.8 | 158.6 | 5.6 | 111.5 | P407 L408 R409 K414 E415 | P407-R411 PolarHBondContact O-N 3.2Å; L408-R411 CarbonylContact O-C 3.57Å; L408-R411 PolarHBondContact O-N 3.13Å; R409-R411 VanDerWaalsContact C-N 3.31Å; R411-K414 CarbonylContact O-C 3.22Å; R411-K414 PolarHBondContact O-N 2.78Å; R411-E415 HydrophobicContact CG-CG 4.24Å; R411-E415 IonicContact CZ-OE1 2.71Å; R411-E415 VanDerWaalsContact CZ-OE1 3.27Å; R411-E415 IonicContact NE-OE1 2.68Å; R411-E415 PolarHBondContact NE-OE1 2.77Å; R411-E415 IonicContact NE-OE2 2.71Å; R411-E415 PolarHBondContact NE-OE2 2.94Å; R411-E415 IonicContact NH2-OE1 2.77Å; R411-E415 PolarHBondContact NH2-OE1 3.02Å; R411-E415 WeakPolarHBondContact O-CA 3.2Å; R411-E415 WeakPolarHBondContact O-CB 3.29Å; R411-E415 WeakPolarHBondContact O-CG 3.49Å; R411-E415 PolarHBondContact O-N 2.93Å |
| 412 | F | 46.8 | Very low | 43.5 | Very low | 111 Ų | 111 | 87.3 Ų | 87.3 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71 | -37 | 171.1 | -69.4 | -58.2 | 0 | 0 | 0 | 111.7 | L408 K414 E415 A416 | L408-F412 HydrophobicContact CB-CD2 4.42Å; L408-F412 HydrophobicContact CB-CE2 4.3Å; L408-F412 HydrophobicContact CD2-CE2 3.98Å; L408-F412 HydrophobicContact CD2-CZ 4.3Å; L408-F412 WeakPolarHBondContact O-CD2 3.2Å; L408-F412 PolarHBondContact O-N 3.2Å; F412-K414 VanDerWaalsContact C-N 3.27Å; F412-K414 PolarHBondContact O-N 3.3Å; F412-E415 PolarHBondContact O-N 2.73Å; F412-A416 WeakPolarHBondContact O-CA 3.19Å; F412-A416 WeakPolarHBondContact O-CB 3.25Å; F412-A416 PolarHBondContact O-N 2.68Å |
| 413 | A | 46.5 | Very low | 44.8 | Very low | 61 Ų | 61 | 86 Ų | 86 | 50% | 0.504 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -32.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R409 G417 | R409-A413 VanDerWaalsContact O-CB 3.28Å; R409-A413 WeakPolarHBondContact O-CB 3.3Å; R409-A413 PolarHBondContact O-N 3.43Å; A413-G417 WeakPolarHBondContact O-CA 3.47Å; A413-G417 PolarHBondContact O-N 2.75Å |
| 414 | K | 47.7 | Very low | 46.3 | Very low | 133 Ų | 133 | 83.2 Ų | 83.2 | 58% | 0.578 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -83 | -34.8 | 176.5 | -177.6 | 176.9 | 177.6 | -179.6 | 0 | 113.3 | L410 R411 F412 Q418 | L410-K414 WeakPolarHBondContact O-CA 3.46Å; L410-K414 WeakPolarHBondContact O-CB 3.49Å; L410-K414 PolarHBondContact O-N 3.34Å; R411-K414 CarbonylContact O-C 3.22Å; R411-K414 PolarHBondContact O-N 2.78Å; F412-K414 VanDerWaalsContact C-N 3.27Å; F412-K414 PolarHBondContact O-N 3.3Å; K414-Q418 WeakPolarHBondContact O-CA 3.41Å; K414-Q418 WeakPolarHBondContact O-CB 3.42Å; K414-Q418 WeakPolarHBondContact O-CG 3.43Å; K414-Q418 PolarHBondContact O-N 2.89Å; K414-Q418 PolarHBondContact O-OE1 2.84Å |
| 415 | E | 48.4 | Very low | 47.6 | Very low | 61 Ų | 61 | 81.6 Ų | 81.6 | 29% | 0.285 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -83.7 | -38.8 | 179.5 | -75.3 | 174.1 | 172.5 | 0 | 0 | 110.3 | R411 F412 Y419 | R411-E415 HydrophobicContact CG-CG 4.24Å; R411-E415 IonicContact CZ-OE1 2.71Å; R411-E415 VanDerWaalsContact CZ-OE1 3.27Å; R411-E415 IonicContact NE-OE1 2.68Å; R411-E415 PolarHBondContact NE-OE1 2.77Å; R411-E415 IonicContact NE-OE2 2.71Å; R411-E415 PolarHBondContact NE-OE2 2.94Å; R411-E415 IonicContact NH2-OE1 2.77Å; R411-E415 PolarHBondContact NH2-OE1 3.02Å; R411-E415 WeakPolarHBondContact O-CA 3.2Å; R411-E415 WeakPolarHBondContact O-CB 3.29Å; R411-E415 WeakPolarHBondContact O-CG 3.49Å; R411-E415 PolarHBondContact O-N 2.93Å; F412-E415 PolarHBondContact O-N 2.73Å; E415-Y419 WeakPolarHBondContact O-CB 3.35Å; E415-Y419 WeakPolarHBondContact O-CD2 3.48Å; E415-Y419 PolarHBondContact O-N 2.77Å |
| 416 | A | 49.2 | Very low | 49 | Very low | 31 Ų | 31 | 82.5 Ų | 82.5 | 26% | 0.256 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.3 | -42.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F412 Q418 Y419 T420 | F412-A416 WeakPolarHBondContact O-CA 3.19Å; F412-A416 WeakPolarHBondContact O-CB 3.25Å; F412-A416 PolarHBondContact O-N 2.68Å; A416-Q418 VanDerWaalsContact C-N 3.28Å; A416-Q418 CarbonylContact O-C 3.36Å; A416-Q418 PolarHBondContact O-N 3.05Å; A416-Y419 CarbonylContact O-C 3.51Å; A416-Y419 WeakPolarHBondContact O-CA 3.46Å; A416-Y419 PolarHBondContact O-N 3.42Å; A416-T420 WeakPolarHBondContact O-CG2 3.47Å; A416-T420 PolarHBondContact O-N 3.45Å; A416-T420 PolarHBondContact O-OG1 3.08Å; A416-T420 VanDerWaalsContact O-OG1 3.08Å |
| 417 | G | 51.3 | Low | 49.9 | Very low | 32 Ų | 32 | 81.7 Ų | 81.7 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.7 | -30.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A413 T420 L421 | A413-G417 WeakPolarHBondContact O-CA 3.47Å; A413-G417 PolarHBondContact O-N 2.75Å; G417-T420 PolarHBondContact O-OG1 2.87Å; G417-L421 WeakPolarHBondContact O-CB 3.36Å; G417-L421 PolarHBondContact O-N 3.23Å |
| 418 | Q | 46.9 | Very low | 50.6 | Low | 87 Ų | 87 | 80 Ų | 80 | 41% | 0.407 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.7 | -65.6 | 159.7 | -82 | 169.3 | -25.2 | 0 | 0 | 108.1 | K414 A416 T420 L421 M422 | K414-Q418 WeakPolarHBondContact O-CA 3.41Å; K414-Q418 WeakPolarHBondContact O-CB 3.42Å; K414-Q418 WeakPolarHBondContact O-CG 3.43Å; K414-Q418 PolarHBondContact O-N 2.89Å; K414-Q418 PolarHBondContact O-OE1 2.84Å; A416-Q418 VanDerWaalsContact C-N 3.28Å; A416-Q418 CarbonylContact O-C 3.36Å; A416-Q418 PolarHBondContact O-N 3.05Å; Q418-T420 PolarHBondContact O-N 2.98Å; Q418-L421 CarbonylContact O-C 3.36Å; Q418-L421 WeakPolarHBondContact O-CA 3.12Å; Q418-L421 WeakPolarHBondContact O-CB 3.49Å; Q418-L421 PolarHBondContact O-N 3.09Å; Q418-M422 HydrophobicContact CB-CG 4.24Å; Q418-M422 WeakPolarHBondContact O-CA 3.35Å; Q418-M422 WeakPolarHBondContact O-CB 3.42Å; Q418-M422 WeakPolarHBondContact O-CG 3.37Å; Q418-M422 PolarHBondContact O-N 3.2Å |
| 419 | Y | 41.9 | Very low | 50.9 | Low | 117 Ų | 117 | 78.6 Ų | 78.6 | 46% | 0.459 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -50.1 | -28.8 | -174.6 | -80.1 | -61.8 | 0 | 0 | 0 | 115.3 | F296 E415 A416 M422 E423 | F296-Y419 HydrophobicContact CB-CE1 4.38Å; E415-Y419 WeakPolarHBondContact O-CB 3.35Å; E415-Y419 WeakPolarHBondContact O-CD2 3.48Å; E415-Y419 PolarHBondContact O-N 2.77Å; A416-Y419 CarbonylContact O-C 3.51Å; A416-Y419 WeakPolarHBondContact O-CA 3.46Å; A416-Y419 PolarHBondContact O-N 3.42Å; Y419-M422 HydrophobicContact CD1-CE 3.74Å; Y419-M422 HydrophobicContact CE1-CE 3.78Å; Y419-M422 HydrophobicContact CG-CE 4.42Å; Y419-M422 CarbonylContact O-C 3.59Å; Y419-M422 WeakPolarHBondContact O-CB 3.34Å; Y419-E423 PolarHBondContact O-N 3.19Å |
| 420 | T | 57.5 | Low | 51 | Low | 78 Ų | 78 | 79.4 Ų | 79.4 | 48% | 0.479 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -85.5 | -43.7 | 174.6 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | A416 G417 Q418 M422 E423 H424 | A416-T420 WeakPolarHBondContact O-CG2 3.47Å; A416-T420 PolarHBondContact O-N 3.45Å; A416-T420 PolarHBondContact O-OG1 3.08Å; A416-T420 VanDerWaalsContact O-OG1 3.08Å; G417-T420 PolarHBondContact O-OG1 2.87Å; Q418-T420 PolarHBondContact O-N 2.98Å; T420-M422 PolarHBondContact O-N 3.35Å; T420-M422 VanDerWaalsContact O-N 3.14Å; T420-E423 PolarHBondContact O-N 3.27Å; T420-H424 PolarHBondContact O-N 2.99Å; T420-H424 PolarHBondContact O-ND1 2.98Å |
| 421 | L | 52.6 | Low | 50.9 | Low | 94 Ų | 94 | 77.6 Ų | 77.6 | 49% | 0.492 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.1 | -26.6 | 162 | -175.4 | 75.8 | 0 | 0 | 0 | 110.8 | V294 G417 Q418 H424 | V294-L421 CarbonylContact C-O 3.16Å; V294-L421 PolarHBondContact N-O 2.79Å; G417-L421 WeakPolarHBondContact O-CB 3.36Å; G417-L421 PolarHBondContact O-N 3.23Å; Q418-L421 CarbonylContact O-C 3.36Å; Q418-L421 WeakPolarHBondContact O-CA 3.12Å; Q418-L421 WeakPolarHBondContact O-CB 3.49Å; Q418-L421 PolarHBondContact O-N 3.09Å; L421-H424 VanDerWaalsContact O-CB 3.31Å; L421-H424 WeakPolarHBondContact O-CB 3.28Å; L421-H424 PolarHBondContact O-N 2.99Å |
| 422 | M | 55.8 | Low | 51.1 | Low | 35 Ų | 35 | 73.5 Ų | 73.5 | 17% | 0.172 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -78.9 | -43 | 179 | -60.6 | -126.6 | -84.8 | 0 | 0 | 112.7 | V294 N295 F296 Q418 Y419 T420 H424 Q425 Q426 | V294-M422 WeakPolarHBondContact O-CA 3.32Å; V294-M422 WeakPolarHBondContact O-CG 3.37Å; N295-M422 VanDerWaalsContact CA-O 3.29Å; N295-M422 WeakPolarHBondContact CA-O 3.32Å; N295-M422 PolarHBondContact N-SD 3.34Å; F296-M422 HydrophobicContact CB-CE 3.57Å; F296-M422 HydrophobicContact CB-SD 4.3Å; Q418-M422 HydrophobicContact CB-CG 4.24Å; Q418-M422 WeakPolarHBondContact O-CA 3.35Å; Q418-M422 WeakPolarHBondContact O-CB 3.42Å; Q418-M422 WeakPolarHBondContact O-CG 3.37Å; Q418-M422 PolarHBondContact O-N 3.2Å; Y419-M422 HydrophobicContact CD1-CE 3.74Å; Y419-M422 HydrophobicContact CE1-CE 3.78Å; Y419-M422 HydrophobicContact CG-CE 4.42Å; Y419-M422 CarbonylContact O-C 3.59Å; Y419-M422 WeakPolarHBondContact O-CB 3.34Å; T420-M422 PolarHBondContact O-N 3.35Å; T420-M422 VanDerWaalsContact O-N 3.14Å; M422-H424 PolarHBondContact O-N 3.5Å; M422-Q425 CarbonylContact O-C 3.24Å; M422-Q425 PolarHBondContact O-N 3.08Å; M422-Q426 PolarHBondContact O-N 2.67Å; M422-Q426 VanDerWaalsContact O-N 3.08Å |
| 423 | E | 54.4 | Low | 50.8 | Low | 86 Ų | 86 | 72.1 Ų | 72.1 | 40% | 0.402 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.9 | -18.2 | 166.6 | -158 | 148.7 | -153.6 | 0 | 0 | 111.4 | K234 Y419 T420 Q426 Q427 | K234-E423 IonicContact NZ-OE1 2.59Å; K234-E423 PolarHBondContact NZ-OE1 2.91Å; Y419-E423 PolarHBondContact O-N 3.19Å; T420-E423 PolarHBondContact O-N 3.27Å; E423-Q426 PolarHBondContact O-N 2.83Å; E423-Q427 WeakPolarHBondContact O-CB 3.43Å; E423-Q427 PolarHBondContact O-N 2.78Å |
| 424 | H | 58.6 | Low | 50.6 | Low | 88 Ų | 88 | 74.2 Ų | 74.2 | 41% | 0.407 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -79.2 | -30.7 | 173.2 | -71.9 | 60.8 | 0 | 0 | 0 | 117.1 | P293 T420 L421 M422 Q426 Q428 | P293-H424 HydrophobicContact CB-CB 4.07Å; P293-H424 WeakPolarHBondContact CB-O 2.94Å; T420-H424 PolarHBondContact O-N 2.99Å; T420-H424 PolarHBondContact O-ND1 2.98Å; L421-H424 VanDerWaalsContact O-CB 3.31Å; L421-H424 WeakPolarHBondContact O-CB 3.28Å; L421-H424 PolarHBondContact O-N 2.99Å; M422-H424 PolarHBondContact O-N 3.5Å; H424-Q426 VanDerWaalsContact C-N 3.3Å; H424-Q428 PolarHBondContact CD2-OE1 3.45Å; H424-Q428 CarbonylContact O-C 3.54Å; H424-Q428 WeakPolarHBondContact O-CA 3.32Å; H424-Q428 WeakPolarHBondContact O-CB 3.45Å; H424-Q428 PolarHBondContact O-N 2.86Å |
| 425 | Q | 58 | Low | 50.2 | Low | 44 Ų | 44 | 70.1 Ų | 70.1 | 21% | 0.206 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -102.8 | 32.4 | 158.7 | -121.7 | -179.4 | 135.8 | 0 | 0 | 110.6 | P293 V294 N295 M422 Q429 | P293-Q425 HydrophobicContact CB-CB 3.59Å; P293-Q425 HydrophobicContact CB-CG 3.59Å; P293-Q425 HydrophobicContact CG-CB 3.96Å; P293-Q425 HydrophobicContact CG-CG 3.39Å; P293-Q425 WeakPolarHBondContact O-CB 3.5Å; P293-Q425 PolarHBondContact O-NE2 3.35Å; V294-Q425 HydrophobicContact CB-CB 4.04Å; V294-Q425 HydrophobicContact CG1-CB 3.58Å; V294-Q425 HydrophobicContact CG1-CG 4.32Å; N295-Q425 PolarHBondContact ND2-O 3.45Å; M422-Q425 CarbonylContact O-C 3.24Å; M422-Q425 PolarHBondContact O-N 3.08Å; Q425-Q429 HydrophobicContact CB-CB 4.16Å; Q425-Q429 HydrophobicContact CB-CG 4.5Å; Q425-Q429 VanDerWaalsContact CD-NE2 3.29Å; Q425-Q429 HydrophobicContact CG-CB 3.52Å; Q425-Q429 HydrophobicContact CG-CG 3.59Å; Q425-Q429 PolarHBondContact O-OE1 2.96Å |
| 426 | Q | 58.6 | Low | 49.6 | Very low | 85 Ų | 85 | 72.5 Ų | 72.5 | 40% | 0.397 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -91 | -65.8 | 131.2 | -142.3 | 99.1 | 109.2 | 0 | 0 | 109 | N295 M422 E423 H424 Q429 I430 | N295-Q426 VanDerWaalsContact CG-NE2 3.31Å; N295-Q426 PolarHBondContact ND2-NE2 2.7Å; N295-Q426 VanDerWaalsContact ND2-NE2 3.16Å; N295-Q426 PolarHBondContact OD1-NE2 3.34Å; M422-Q426 PolarHBondContact O-N 2.67Å; M422-Q426 VanDerWaalsContact O-N 3.08Å; E423-Q426 PolarHBondContact O-N 2.83Å; H424-Q426 VanDerWaalsContact C-N 3.3Å; Q426-Q429 WeakPolarHBondContact O-CB 3.36Å; Q426-Q429 PolarHBondContact O-N 3.45Å; Q426-Q429 VanDerWaalsContact O-N 3.07Å; Q426-I430 HydrophobicContact CG-CD1 4.36Å; Q426-I430 WeakPolarHBondContact O-CD1 3.4Å; Q426-I430 VanDerWaalsContact O-CG1 3.3Å; Q426-I430 WeakPolarHBondContact O-CG1 3.26Å; Q426-I430 PolarHBondContact O-N 3.42Å |
| 427 | Q | 56.4 | Low | 48.7 | Very low | 81 Ų | 81 | 75.2 Ų | 75.2 | 38% | 0.379 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.8 | -54.1 | -168 | -167.3 | 54.8 | 56.8 | 0 | 0 | 112.4 | E423 Q429 I430 D431 | E423-Q427 WeakPolarHBondContact O-CB 3.43Å; E423-Q427 PolarHBondContact O-N 2.78Å; Q427-Q429 VanDerWaalsContact C-N 3.31Å; Q427-Q429 PolarHBondContact O-N 3.27Å; Q427-I430 CarbonylContact O-C 3.54Å; Q427-I430 WeakPolarHBondContact O-CA 3.5Å; Q427-I430 VanDerWaalsContact O-CB 3.25Å; Q427-I430 WeakPolarHBondContact O-CB 3.2Å; Q427-I430 PolarHBondContact O-N 2.96Å; Q427-I430 VanDerWaalsContact O-N 3.11Å; Q427-D431 PolarHBondContact NE2-OD1 3.3Å; Q427-D431 PolarHBondContact O-N 2.82Å; Q427-D431 VanDerWaalsContact O-OD2 3.11Å |
| 428 | Q | 54 | Low | 47.8 | Very low | 42 Ų | 42 | 80.8 Ų | 80.8 | 20% | 0.196 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -84 | 1.1 | 175.6 | -43.6 | 171.2 | -45.8 | 0 | 0 | 113.4 | T292 P293 H424 D431 L432 | T292-Q428 VanDerWaalsContact C-OE1 3.25Å; T292-Q428 HydrophobicContact CG2-CB 3.68Å; T292-Q428 HydrophobicContact CG2-CG 4.12Å; T292-Q428 PolarHBondContact O-OE1 2.81Å; P293-Q428 HydrophobicContact CB-CB 4.08Å; H424-Q428 PolarHBondContact CD2-OE1 3.45Å; H424-Q428 CarbonylContact O-C 3.54Å; H424-Q428 WeakPolarHBondContact O-CA 3.32Å; H424-Q428 WeakPolarHBondContact O-CB 3.45Å; H424-Q428 PolarHBondContact O-N 2.86Å; Q428-D431 WeakPolarHBondContact CA-OD2 3.31Å; Q428-L432 WeakPolarHBondContact O-CB 3.06Å; Q428-L432 WeakPolarHBondContact O-CD1 3.3Å; Q428-L432 WeakPolarHBondContact O-CG 3.06Å; Q428-L432 PolarHBondContact O-N 2.99Å |
| 429 | Q | 47.3 | Very low | 47.2 | Very low | 75 Ų | 75 | 80.3 Ų | 80.3 | 35% | 0.35 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -78.2 | -38.6 | 156.6 | -141.6 | 157.5 | 47 | 0 | 0 | 110.1 | Q425 Q426 Q427 S433 | Q425-Q429 HydrophobicContact CB-CB 4.16Å; Q425-Q429 HydrophobicContact CB-CG 4.5Å; Q425-Q429 VanDerWaalsContact CD-NE2 3.29Å; Q425-Q429 HydrophobicContact CG-CB 3.52Å; Q425-Q429 HydrophobicContact CG-CG 3.59Å; Q425-Q429 PolarHBondContact O-OE1 2.96Å; Q426-Q429 WeakPolarHBondContact O-CB 3.36Å; Q426-Q429 PolarHBondContact O-N 3.45Å; Q426-Q429 VanDerWaalsContact O-N 3.07Å; Q427-Q429 VanDerWaalsContact C-N 3.31Å; Q427-Q429 PolarHBondContact O-N 3.27Å; Q429-S433 WeakPolarHBondContact O-CB 3.44Å; Q429-S433 PolarHBondContact O-N 3.38Å; Q429-S433 PolarHBondContact O-OG 2.93Å |
| 430 | I | 47.9 | Very low | 46.7 | Very low | 80 Ų | 80 | 79.9 Ų | 79.9 | 41% | 0.41 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64 | -49.8 | 172.7 | -66.2 | 158 | 0 | 0 | 0 | 107.8 | Q426 Q427 L432 S433 L434 | Q426-I430 HydrophobicContact CG-CD1 4.36Å; Q426-I430 WeakPolarHBondContact O-CD1 3.4Å; Q426-I430 VanDerWaalsContact O-CG1 3.3Å; Q426-I430 WeakPolarHBondContact O-CG1 3.26Å; Q426-I430 PolarHBondContact O-N 3.42Å; Q427-I430 CarbonylContact O-C 3.54Å; Q427-I430 WeakPolarHBondContact O-CA 3.5Å; Q427-I430 VanDerWaalsContact O-CB 3.25Å; Q427-I430 WeakPolarHBondContact O-CB 3.2Å; Q427-I430 PolarHBondContact O-N 2.96Å; Q427-I430 VanDerWaalsContact O-N 3.11Å; I430-L432 PolarHBondContact O-N 2.98Å; I430-S433 WeakPolarHBondContact CA-OG 3.42Å; I430-S433 CarbonylContact O-C 3.51Å; I430-S433 PolarHBondContact O-N 3.06Å; I430-S433 VanDerWaalsContact O-N 3.13Å; I430-S433 PolarHBondContact O-OG 2.86Å; I430-L434 HydrophobicContact CG2-CD1 3.99Å; I430-L434 WeakPolarHBondContact O-CB 2.99Å; I430-L434 WeakPolarHBondContact O-CD1 3.19Å; I430-L434 VanDerWaalsContact O-CG 3.3Å; I430-L434 WeakPolarHBondContact O-CG 3.37Å; I430-L434 PolarHBondContact O-N 3.34Å |
| 431 | D | 45.5 | Very low | 45.4 | Very low | 71 Ų | 71 | 84.1 Ų | 84.1 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 176.9 | -42.2 | -36.7 | 0 | 0 | 0 | 112.5 | Q427 Q428 L434 S435 | Q427-D431 PolarHBondContact NE2-OD1 3.3Å; Q427-D431 PolarHBondContact O-N 2.82Å; Q427-D431 VanDerWaalsContact O-OD2 3.11Å; Q428-D431 WeakPolarHBondContact CA-OD2 3.31Å; D431-L434 CarbonylContact O-C 3.59Å; D431-L434 WeakPolarHBondContact O-CB 3.02Å; D431-L434 PolarHBondContact O-N 3.19Å; D431-S435 PolarHBondContact O-N 2.7Å; D431-S435 VanDerWaalsContact O-N 3.1Å |
| 432 | L | 48 | Very low | 44.3 | Very low | 51 Ų | 51 | 85 Ų | 85 | 27% | 0.267 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.4 | -33.1 | 171.4 | -79.8 | 170.7 | 0 | 0 | 0 | 113.1 | P293 Q428 I430 L434 S435 N436 | P293-L432 HydrophobicContact CG-CD1 4.34Å; Q428-L432 WeakPolarHBondContact O-CB 3.06Å; Q428-L432 WeakPolarHBondContact O-CD1 3.3Å; Q428-L432 WeakPolarHBondContact O-CG 3.06Å; Q428-L432 PolarHBondContact O-N 2.99Å; I430-L432 PolarHBondContact O-N 2.98Å; L432-L434 PolarHBondContact O-N 3.47Å; L432-S435 WeakPolarHBondContact CA-OG 3.47Å; L432-S435 PolarHBondContact O-N 2.98Å; L432-S435 VanDerWaalsContact O-N 3.1Å; L432-S435 PolarHBondContact O-OG 3.47Å; L432-N436 WeakPolarHBondContact O-CB 3.17Å; L432-N436 PolarHBondContact O-N 3.3Å; L432-N436 PolarHBondContact O-OD1 3.18Å |
| 433 | S | 39.7 | Very low | 42.9 | Very low | 83 Ų | 83 | 89.5 Ų | 89.5 | 58% | 0.58 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.3 | -19.5 | 173.1 | 71.9 | 0 | 0 | 0 | 0 | 112.5 | Q429 I430 | Q429-S433 WeakPolarHBondContact O-CB 3.44Å; Q429-S433 PolarHBondContact O-N 3.38Å; Q429-S433 PolarHBondContact O-OG 2.93Å; I430-S433 WeakPolarHBondContact CA-OG 3.42Å; I430-S433 CarbonylContact O-C 3.51Å; I430-S433 PolarHBondContact O-N 3.06Å; I430-S433 VanDerWaalsContact O-N 3.13Å; I430-S433 PolarHBondContact O-OG 2.86Å |
| 434 | L | 42.9 | Very low | 41.8 | Very low | 104 Ų | 104 | 90 Ų | 90 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -10.1 | 168.4 | -70.5 | 161.7 | 0 | 0 | 0 | 112.8 | I430 D431 L432 | I430-L434 HydrophobicContact CG2-CD1 3.99Å; I430-L434 WeakPolarHBondContact O-CB 2.99Å; I430-L434 WeakPolarHBondContact O-CD1 3.19Å; I430-L434 VanDerWaalsContact O-CG 3.3Å; I430-L434 WeakPolarHBondContact O-CG 3.37Å; I430-L434 PolarHBondContact O-N 3.34Å; D431-L434 CarbonylContact O-C 3.59Å; D431-L434 WeakPolarHBondContact O-CB 3.02Å; D431-L434 PolarHBondContact O-N 3.19Å; L432-L434 PolarHBondContact O-N 3.47Å |
| 435 | S | 39.9 | Very low | 40.5 | Very low | 47 Ų | 47 | 91.1 Ų | 91.1 | 33% | 0.329 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -26.2 | 176.8 | 73.3 | 0 | 0 | 0 | 0 | 114.7 | D431 L432 C437 E438 | D431-S435 PolarHBondContact O-N 2.7Å; D431-S435 VanDerWaalsContact O-N 3.1Å; L432-S435 WeakPolarHBondContact CA-OG 3.47Å; L432-S435 PolarHBondContact O-N 2.98Å; L432-S435 VanDerWaalsContact O-N 3.1Å; L432-S435 PolarHBondContact O-OG 3.47Å; S435-C437 PolarHBondContact O-N 3.11Å; S435-C437 VanDerWaalsContact O-N 3.16Å; S435-E438 WeakPolarHBondContact O-CB 3.48Å; S435-E438 PolarHBondContact O-N 3.3Å |
| 436 | N | 34.5 | Very low | 39.1 | Very low | 111 Ų | 111 | 93.9 Ų | 93.9 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 12.2 | -176.3 | -74.2 | 18.5 | 0 | 0 | 0 | 113.7 | L432 E438 | L432-N436 WeakPolarHBondContact O-CB 3.17Å; L432-N436 PolarHBondContact O-N 3.3Å; L432-N436 PolarHBondContact O-OD1 3.18Å; N436-E438 VanDerWaalsContact C-N 3.32Å |
| 437 | C | 31 | Very low | 37.7 | Very low | 89 Ų | 89 | 91.3 Ų | 91.3 | 60% | 0.601 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 5.7 | 156.1 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | S435 | S435-C437 PolarHBondContact O-N 3.11Å; S435-C437 VanDerWaalsContact O-N 3.16Å |
| 438 | E | 32.2 | Very low | 36.3 | Very low | 148 Ų | 148 | 93.9 Ų | 93.9 | 69% | 0.692 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -119 | 68.9 | 172.1 | -62.5 | -168 | 146.6 | 0 | 0 | 112 | S435 N436 | S435-E438 WeakPolarHBondContact O-CB 3.48Å; S435-E438 PolarHBondContact O-N 3.3Å; N436-E438 VanDerWaalsContact C-N 3.32Å |
| 439 | T | 34 | Very low | 34.9 | Very low | 77 Ų | 77 | 98.3 Ų | 98.3 | 47% | 0.472 | 57% | 0.574 | S | S | . | * | trans | -110.3 | 145.3 | 163.8 | 50.1 | 0 | 0 | 0 | 0 | 109.9 | E528 | T439-E528 WeakPolarHBondContact CB-OE1 3.35Å; T439-E528 WeakPolarHBondContact CB-OE2 3.33Å; T439-E528 PolarHBondContact OG1-OE1 3.33Å; T439-E528 PolarHBondContact OG1-OE2 3.36Å | ||
| 440 | N | 31.3 | Very low | 33.8 | Very low | 108 Ų | 108 | 99.2 Ų | 99.2 | 58% | 0.578 | 59% | 0.588 | S | S | * | * | cis | -145.3 | 143.5 | 2.2 | -116.8 | -55.8 | 0 | 0 | 0 | 109.5 | E528 | N440-E528 WeakPolarHBondContact ND2-CG 3.35Å; N440-E528 PolarHBondContact ND2-OE2 3.43Å | ||
| 441 | L | 30.3 | Very low | 32.6 | Very low | 168 Ų | 168 | 100 Ų | 100 | 88% | 0.88 | 60% | 0.597 | S | S | * | * | trans | -171.9 | 80 | 150.5 | -107.2 | 165.9 | 0 | 0 | 0 | 113.7 | ||||
| 442 | V | 29.7 | Very low | 31.7 | Very low | 113 Ų | 113 | 100.6 Ų | 100.6 | 69% | 0.685 | 60% | 0.603 | S | S | * | * | trans | 36.5 | 110.7 | 149.7 | -168.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 443 | P | 26.8 | Very low | 30.5 | Very low | 128 Ų | 128 | 101 Ų | 101 | 83% | 0.831 | 61% | 0.61 | S | S | * | * | trans | -104.5 | 141.7 | 150.2 | 35.7 | -27.9 | 0 | 0 | 0 | 112 | ||||
| 444 | S | 31.3 | Very low | 29.7 | Very low | 96 Ų | 96 | 102 Ų | 102 | 67% | 0.671 | 61% | 0.606 | S | S | * | * | trans | -146.4 | 113.5 | 177.7 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 445 | S | 30.6 | Very low | 28.9 | Very low | 113 Ų | 113 | 99.2 Ų | 99.2 | 79% | 0.79 | 60% | 0.598 | S | S | * | * | trans | 61.2 | 147.4 | 161.8 | 61.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 446 | S | 29.5 | Very low | 28.4 | Very low | 102 Ų | 102 | 101.1 Ų | 101.1 | 71% | 0.713 | 61% | 0.611 | S | S | * | * | cis | -169.8 | 149.2 | -14.6 | -97 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 447 | G | 28.3 | Very low | 28 | Very low | 30 Ų | 30 | 103.5 Ų | 103.5 | 31% | 0.309 | 62% | 0.618 | S | S | . | * | trans | 103.2 | 155.9 | 143.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | V288 | V288-G447 WeakPolarHBondContact CG2-O 3.24Š| ||
| 448 | I | 28.4 | Very low | 27.8 | Very low | 135 Ų | 135 | 105 Ų | 105 | 69% | 0.692 | 63% | 0.625 | S | S | * | * | trans | 67.9 | 98.7 | 159.1 | -45.8 | 178.4 | 0 | 0 | 0 | 115.2 | ||||
| 449 | I | 23.7 | Very low | 27.5 | Very low | 135 Ų | 135 | 102.6 Ų | 102.6 | 69% | 0.692 | 62% | 0.62 | S | S | * | * | 76.8 | 144 | 58 | -56 | 167.7 | 0 | 0 | 0 | 113.5 | |||||
| 450 | C | 23.5 | Very low | 27.1 | Very low | 94 Ų | 94 | 104.8 Ų | 104.8 | 64% | 0.635 | 63% | 0.633 | S | S | * | * | trans | 102.1 | 125.1 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 114.6 | R347 | R347-C450 CarbonylContact O-C 3.59Š| ||
| 451 | T | 23.9 | Very low | 27 | Very low | 98 Ų | 98 | 105.2 Ų | 105.2 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | cis | 121 | 120.7 | 7 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | R347 | R347-T451 PolarHBondContact O-N 2.9Š| ||
| 452 | T | 25.8 | Very low | 26.8 | Very low | 83 Ų | 83 | 102.3 Ų | 102.3 | 51% | 0.509 | 63% | 0.633 | S | S | . | * | trans | -172.7 | 148.3 | 144.3 | 17.9 | 0 | 0 | 0 | 0 | 109 | H345 T346 | H345-T452 CarbonylContact C-O 3.27Å; H345-T452 VanDerWaalsContact C-OG1 3.24Å; H345-T452 VanDerWaalsContact N-CB 3.25Å; H345-T452 PolarHBondContact N-OG1 3Å; H345-T452 PolarHBondContact O-OG1 2.74Å; H345-T452 VanDerWaalsContact O-OG1 3.08Å; T346-T452 PolarHBondContact N-O 3.27Å | ||
| 453 | S | 23.6 | Very low | 27.1 | Very low | 60 Ų | 60 | 104.1 Ų | 104.1 | 42% | 0.42 | 64% | 0.639 | S | S | . | * | 64.3 | 159 | 89.3 | -141 | 0 | 0 | 0 | 0 | 115.4 | S343 H345 | S343-S453 VanDerWaalsContact C-OG 3.23Å; S343-S453 WeakPolarHBondContact O-CB 3.28Å; S343-S453 PolarHBondContact O-OG 3.47Å; H345-S453 WeakPolarHBondContact CA-O 3.3Å | |||
| 454 | E | 22.9 | Very low | 27.4 | Very low | 104 Ų | 104 | 102.8 Ų | 102.8 | 49% | 0.486 | 63% | 0.632 | S | S | . | * | cis | 140.9 | 95.9 | 16.9 | 147 | 61 | -109.5 | 0 | 0 | 114.5 | S343 K344 | S343-E454 CarbonylContact C-O 3.53Å; S343-E454 WeakPolarHBondContact CA-O 3.48Å; S343-E454 PolarHBondContact N-OE1 2.88Å; K344-E454 WeakPolarHBondContact CA-O 3.48Å; K344-E454 WeakPolarHBondContact CB-O 3.28Å; K344-E454 WeakPolarHBondContact CG-O 3.49Å; K344-E454 PolarHBondContact N-O 3.24Å | ||
| 455 | A | 26.3 | Very low | 27.5 | Very low | 45 Ų | 45 | 104.7 Ų | 104.7 | 37% | 0.372 | 64% | 0.635 | S | S | . | * | trans | 48.5 | 161.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | K344 | K344-A455 WeakPolarHBondContact CD-O 3.44Å; K344-A455 WeakPolarHBondContact CE-O 3.4Å; K344-A455 VanDerWaalsContact CG-O 3.28Å; K344-A455 WeakPolarHBondContact CG-O 3.37Å; K344-A455 VanDerWaalsContact NZ-C 3.34Å; K344-A455 PolarHBondContact NZ-O 3.48Å | ||
| 456 | S | 28.5 | Very low | 27.7 | Very low | 86 Ų | 86 | 105.2 Ų | 105.2 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | cis | -145.6 | 168.2 | 22.1 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 457 | H | 26.9 | Very low | 27.9 | Very low | 161 Ų | 161 | 106.2 Ų | 106.2 | 75% | 0.745 | 63% | 0.626 | S | S | * | * | cis | 89.4 | 87.7 | 4 | -158.8 | -68.1 | 0 | 0 | 0 | 118.5 | ||||
| 458 | V | 25.5 | Very low | 28.2 | Very low | 122 Ų | 122 | 111.6 Ų | 111.6 | 74% | 0.739 | 64% | 0.643 | S | S | * | * | trans | -144.1 | 97.9 | 162 | -177.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 459 | T | 26.7 | Very low | 28.6 | Very low | 97 Ų | 97 | 112.1 Ų | 112.1 | 60% | 0.595 | 65% | 0.647 | S | S | * | * | 53.3 | 138.2 | 88.5 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 460 | V | 25.8 | Very low | 29.2 | Very low | 122 Ų | 122 | 111.2 Ų | 111.2 | 74% | 0.739 | 64% | 0.644 | S | S | * | * | -166.3 | 134.9 | 78.1 | 145.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 461 | V | 28.9 | Very low | 29.8 | Very low | 118 Ų | 118 | 111.9 Ų | 111.9 | 72% | 0.715 | 64% | 0.639 | S | S | * | * | trans | 56.4 | 112.1 | 152.1 | 177.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 462 | S | 27.2 | Very low | 30.4 | Very low | 106 Ų | 106 | 110.5 Ų | 110.5 | 74% | 0.741 | 63% | 0.628 | S | S | * | * | trans | -80.1 | 155.4 | 152.9 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 463 | D | 35.6 | Very low | 30.8 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 81% | 0.813 | 63% | 0.634 | S | S | * | * | trans | -134.6 | 154.1 | 159.3 | -83.6 | -52.2 | 0 | 0 | 0 | 111 | ||||
| 464 | S | 32.6 | Very low | 31.3 | Very low | 100 Ų | 100 | 117.4 Ų | 117.4 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | trans | -141.8 | 166.4 | 177.4 | -56 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 465 | D | 33.9 | Very low | 31.7 | Very low | 136 Ų | 136 | 119.3 Ų | 119.3 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | cis | -158.6 | 161.5 | 32.7 | -90.4 | -69.1 | 0 | 0 | 0 | 111 | ||||
| 466 | N | 34.3 | Very low | 32 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 66% | 0.658 | 67% | 0.667 | S | S | * | * | trans | 45.7 | 154.8 | 142.5 | -61.3 | -34.7 | 0 | 0 | 0 | 122.2 | ||||
| 467 | D | 33.5 | Very low | 32 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 66% | 0.658 | 67% | 0.67 | S | S | * | * | cis | -169.6 | 152.4 | 47.2 | -121.5 | -21.1 | 0 | 0 | 0 | 116.7 | ||||
| 468 | H | 35.3 | Very low | 32.2 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 67% | 0.667 | 67% | 0.669 | S | S | * | * | trans | 52.3 | 128.1 | 146.6 | -78.1 | 59.4 | 0 | 0 | 0 | 126 | ||||
| 469 | N | 36.6 | Very low | 32.3 | Very low | 146 Ų | 146 | 124 Ų | 124 | 78% | 0.781 | 67% | 0.668 | S | S | * | * | 153.6 | 112.8 | 114.1 | -83.7 | -58 | 0 | 0 | 0 | 121.3 | |||||
| 470 | N | 35.5 | Very low | 32.7 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | 96.3 | 128.4 | 117.8 | -139 | 19.8 | 0 | 0 | 0 | 128.5 | |||||
| 471 | M | 36.6 | Very low | 33 | Very low | 108 Ų | 108 | 127 Ų | 127 | 53% | 0.532 | 68% | 0.676 | S | S | . | * | trans | 66.4 | 175.8 | 157.2 | -65.3 | -46.1 | 172.8 | 0 | 0 | 124.9 | Y209 | Y209-M471 VanDerWaalsContact CD1-C 3.42Å; Y209-M471 WeakPolarHBondContact CD1-O 3.5Å; Y209-M471 HydrophobicContact CE1-CB 3.86Å; Y209-M471 WeakPolarHBondContact CE1-O 3.39Å | ||
| 472 | N | 37.1 | Very low | 33.3 | Very low | 68 Ų | 68 | 124.5 Ų | 124.5 | 36% | 0.364 | 68% | 0.675 | S | S | . | * | -161.6 | 161.8 | -77.3 | -142.7 | -20.8 | 0 | 0 | 0 | 117.1 | N210 | N210-N472 WeakPolarHBondContact ND2-CA 3.38Å; N210-N472 PolarHBondContact ND2-N 2.89Å; N210-N472 PolarHBondContact ND2-O 3.02Å | |||
| 473 | F | 33.5 | Very low | 33.7 | Very low | 146 Ų | 146 | 124.5 Ų | 124.5 | 64% | 0.64 | 68% | 0.675 | S | S | * | * | trans | 64.1 | 160.9 | 156 | -63 | -48.3 | 0 | 0 | 0 | 124.5 | ||||
| 474 | Q | 34.3 | Very low | 33.7 | Very low | 142 Ų | 142 | 123.9 Ų | 123.9 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | cis | 169.7 | 153.2 | -45.4 | 165.7 | 168.2 | 70.4 | 0 | 0 | 115 | ||||
| 475 | M | 31.7 | Very low | 33.9 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 71% | 0.709 | 67% | 0.67 | S | S | * | * | trans | 77.9 | 159.3 | 156.7 | -89.4 | 176 | -172.1 | 0 | 0 | 120.3 | ||||
| 476 | N | 31.7 | Very low | 34 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 60% | 0.604 | 67% | 0.669 | S | S | * | * | cis | -158.4 | 151.6 | 9.4 | -131.9 | -13.7 | 0 | 0 | 0 | 118 | ||||
| 477 | I | 28.8 | Very low | 34.2 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 66% | 0.656 | 67% | 0.668 | S | S | * | * | trans | 50 | 116 | 138.2 | -78.6 | 166.8 | 0 | 0 | 0 | 124 | ||||
| 478 | N | 31.4 | Very low | 34.2 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | 162.9 | 120.8 | 108.5 | -103.4 | -32.7 | 0 | 0 | 0 | 110.4 | |||||
| 479 | N | 28.1 | Very low | 34.2 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | 59.8 | 112.6 | 71.7 | -93.5 | -1.4 | 0 | 0 | 0 | 116.8 | |||||
| 480 | N | 33.9 | Very low | 34.4 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 67% | 0.674 | 66% | 0.664 | S | S | * | * | 172.5 | 136.4 | 103.4 | -93 | -21.2 | 0 | 0 | 0 | 117.4 | |||||
| 481 | N | 32.8 | Very low | 34.4 | Very low | 156 Ų | 156 | 122.9 Ų | 122.9 | 83% | 0.834 | 67% | 0.666 | S | S | * | * | trans | 71.3 | 139.5 | 136.7 | -58.3 | -15.5 | 0 | 0 | 0 | 124 | ||||
| 482 | G | 34.1 | Very low | 34.3 | Very low | 66 Ų | 66 | 122.4 Ų | 122.4 | 68% | 0.68 | 67% | 0.673 | S | S | * | * | trans | 137.8 | 66.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 483 | S | 36.3 | Very low | 34.1 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | 60.1 | 132 | 96.3 | 70.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 484 | D | 36.4 | Very low | 34 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | cis | -172.3 | 164.6 | 5.9 | -120.1 | 41.8 | 0 | 0 | 0 | 107.4 | ||||
| 485 | N | 36 | Very low | 34 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 67% | 0.674 | 71% | 0.711 | S | S | * | * | cis | -169.2 | -173.2 | -10.6 | -151 | -42.8 | 0 | 0 | 0 | 109 | ||||
| 486 | V | 37.3 | Very low | 33.9 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 70% | 0.697 | 72% | 0.718 | S | S | * | * | trans | 67.8 | 110.2 | 155.6 | 170.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 487 | S | 36.7 | Very low | 33.8 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | cis | 78.2 | 151.9 | 48.3 | 87.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 488 | N | 35.2 | Very low | 33.8 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | cis | -173.7 | 169.1 | -9.9 | -110.5 | 34.4 | 0 | 0 | 0 | 107.1 | ||||
| 489 | E | 35.1 | Very low | 33.8 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 61% | 0.607 | 74% | 0.737 | S | S | * | * | cis | -173 | -160.2 | -24.8 | -154.8 | -120.3 | 93.4 | 0 | 0 | 107.7 | ||||
| 490 | H | 39.6 | Very low | 34 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 63% | 0.634 | 74% | 0.737 | S | S | * | * | trans | 74 | 152.7 | 159.8 | -65.7 | -11 | 0 | 0 | 0 | 119.8 | ||||
| 491 | N | 35.1 | Very low | 33.8 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | cis | -160.7 | 170.8 | -16.3 | -112.4 | -27.3 | 0 | 0 | 0 | 114.4 | ||||
| 492 | S | 35 | Very low | 33.8 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | trans | -29.5 | 166.9 | 167.9 | 61.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 493 | N | 33.5 | Very low | 33.6 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | -171.5 | -176.5 | 53 | -159.2 | 5.1 | 0 | 0 | 0 | 115.7 | |||||
| 494 | M | 30.9 | Very low | 33.6 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | trans | -103.8 | 175.2 | -166.5 | -52.8 | -174.2 | -179.9 | 0 | 0 | 117.8 | ||||
| 495 | G | 34 | Very low | 33.2 | Very low | 74 Ų | 74 | 131.9 Ų | 131.9 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | trans | 179.2 | 145 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 496 | T | 30.7 | Very low | 32.9 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | -147.3 | 148.2 | -166.2 | -45.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 497 | S | 29.5 | Very low | 32.6 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | -168.1 | -179.5 | 150.1 | -147.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 498 | M | 29.1 | Very low | 32.2 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -135.9 | 176 | -157.2 | -43.2 | 172.4 | -170.6 | 0 | 0 | 116 | ||||
| 499 | T | 31.3 | Very low | 32.1 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | 146.2 | 99.2 | 125.5 | -59.5 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 500 | I | 31.1 | Very low | 32.1 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | 69.3 | 142.9 | 124.4 | -60.9 | 178 | 0 | 0 | 0 | 127 | |||||
| 501 | K | 30.8 | Very low | 31.8 | Very low | 193 Ų | 193 | 131.6 Ų | 131.6 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | 81.1 | 150.6 | 156.5 | -88.1 | 163.8 | -180 | -175.8 | 0 | 121.9 | ||||
| 502 | S | 31.5 | Very low | 31.6 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | cis | -174.7 | 156.2 | -26.4 | -106.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 503 | E | 31.5 | Very low | 31.5 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | 79.6 | 153.2 | 151.2 | -75.4 | 173.2 | -143.4 | 0 | 0 | 126.1 | ||||
| 504 | P | 36.4 | Very low | 31.4 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | trans | -141.9 | -157 | -163.8 | 38.6 | -13.1 | 0 | 0 | 0 | 118.2 | ||||
| 505 | V | 27.6 | Very low | 31.4 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | 112.9 | 148.5 | 155.6 | -172.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 506 | T | 29.9 | Very low | 31 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | trans | 98.2 | 153 | 169 | 68.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 507 | V | 29.1 | Very low | 30.9 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | -173.4 | 152 | -55.2 | 134.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 508 | S | 28.7 | Very low | 30.8 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | 72.6 | 152.5 | 164.5 | -71.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 509 | G | 34.4 | Very low | 30.7 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | trans | 170.9 | 22.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 510 | D | 33.8 | Very low | 30.4 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | trans | 41 | 123.9 | 153.6 | -75.4 | 29.8 | 0 | 0 | 0 | 126.4 | ||||
| 511 | K | 34.4 | Very low | 30.4 | Very low | 155 Ų | 155 | 127.1 Ų | 127.1 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | 84.6 | 108.9 | 126.3 | -69.5 | -171.2 | 179.5 | 91.5 | 0 | 126 | |||||
| 512 | E | 31.6 | Very low | 30.2 | Very low | 134 Ų | 134 | 121.4 Ų | 121.4 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | 75.6 | 154.2 | 98.8 | -147.1 | 176.8 | -146.7 | 0 | 0 | 123 | |||||
| 513 | L | 32.3 | Very low | 30 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | trans | 100.5 | 85.1 | 157.8 | -55.3 | 176.3 | 0 | 0 | 0 | 122 | ||||
| 514 | N | 30.7 | Very low | 29.8 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | 85.6 | 122.6 | 107.6 | -74.2 | 0.8 | 0 | 0 | 0 | 125.7 | |||||
| 515 | H | 30.4 | Very low | 29.5 | Very low | 150 Ų | 150 | 122.2 Ų | 122.2 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | 92.1 | 122.1 | 122.3 | -72.8 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 516 | V | 27 | Very low | 29.6 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 74% | 0.739 | 72% | 0.724 | S | S | * | * | 89.8 | 135 | 62.4 | 153.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 517 | S | 27.2 | Very low | 29.7 | Very low | 86 Ų | 86 | 117.8 Ų | 117.8 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | cis | -170.5 | 170.9 | -6.1 | -99.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 518 | T | 28.1 | Very low | 29.9 | Very low | 128 Ų | 128 | 116.8 Ų | 116.8 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | 41.7 | 137.4 | 146.2 | 58.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 519 | S | 28 | Very low | 30 | Very low | 107 Ų | 107 | 120 Ų | 120 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | 158.6 | 160 | 82 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 520 | C | 25 | Very low | 29.8 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | cis | -164.8 | -152.1 | -32.7 | -87.1 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 521 | H | 29.1 | Very low | 29.7 | Very low | 164 Ų | 164 | 123.9 Ų | 123.9 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | cis | -162.9 | 164.8 | 2.2 | -147.9 | -79.7 | 0 | 0 | 0 | 110 | ||||
| 522 | S | 28.1 | Very low | 29.7 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 51% | 0.51 | 73% | 0.729 | S | S | . | * | trans | 45.5 | 108.7 | 157.4 | -74.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 523 | E | 25.8 | Very low | 29.7 | Very low | 177 Ų | 177 | 123.1 Ų | 123.1 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | 59.5 | 107.4 | 117 | -61.4 | 155.9 | 131.6 | 0 | 0 | 121.3 | |||||
| 524 | S | 29.1 | Very low | 29.7 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | 161.9 | 136.5 | 100.6 | -169.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 525 | S | 29.4 | Very low | 29.7 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 57.1 | 100.9 | 150.8 | -177.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 526 | G | 30.4 | Very low | 29.8 | Very low | 79 Ų | 79 | 120.2 Ų | 120.2 | 81% | 0.814 | 73% | 0.73 | S | S | * | * | 116 | 133.9 | 122.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 527 | G | 30.7 | Very low | 30.3 | Very low | 83 Ų | 83 | 118.6 Ų | 118.6 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | trans | 105.6 | 143.8 | 161 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 528 | E | 33.3 | Very low | 30.6 | Very low | 106 Ų | 106 | 122 Ų | 122 | 50% | 0.495 | 73% | 0.732 | S | S | . | * | trans | -123.7 | 162.7 | -178.2 | -66.9 | 173.6 | 71.6 | 0 | 0 | 111.7 | T439 N440 | T439-E528 WeakPolarHBondContact CB-OE1 3.35Å; T439-E528 WeakPolarHBondContact CB-OE2 3.33Å; T439-E528 PolarHBondContact OG1-OE1 3.33Å; T439-E528 PolarHBondContact OG1-OE2 3.36Å; N440-E528 WeakPolarHBondContact ND2-CG 3.35Å; N440-E528 PolarHBondContact ND2-OE2 3.43Å | ||
| 529 | E | 30.4 | Very low | 30.9 | Very low | 189 Ų | 189 | 127.4 Ų | 127.4 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | -166.4 | 170.8 | 115.4 | -109.6 | -172.7 | 158.9 | 0 | 0 | 113.9 | |||||
| 530 | I | 31.2 | Very low | 31.2 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -87.6 | 159.6 | -153.2 | -25.5 | 177.2 | 0 | 0 | 0 | 114.1 | ||||
| 531 | S | 31.8 | Very low | 31.5 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 89% | 0.888 | 73% | 0.731 | S | S | * | * | trans | -152.5 | 135.7 | 151.3 | -146.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 532 | A | 33.5 | Very low | 31.8 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | trans | -117.4 | 147.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 533 | Q | 31.6 | Very low | 31.9 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | trans | -90.3 | 150.6 | 173.8 | -73.5 | -177.6 | -29.2 | 0 | 0 | 112.1 | ||||
| 534 | K | 32.8 | Very low | 32.2 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 65% | 0.648 | 70% | 0.702 | S | S | * | * | trans | -131.8 | 114.9 | -161.3 | -178.6 | 164.5 | -174.4 | 154.4 | 0 | 113.7 | A799 | K534-A799 HydrophobicContact CG-CB 4.48Š| ||
| 535 | V | 30.9 | Very low | 32.3 | Very low | 127 Ų | 127 | 120.7 Ų | 120.7 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 150.9 | 174.4 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 536 | P | 32.7 | Very low | 32.3 | Very low | 43 Ų | 43 | 122.1 Ų | 122.1 | 28% | 0.279 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -81.4 | 140.8 | -176.9 | -15.6 | 32.6 | 0 | 0 | 0 | 115.8 | A799 A800 | P536-A799 HydrophobicContact CB-CB 4.13Å; P536-A799 HydrophobicContact CG-CB 4.01Å; P536-A800 HydrophobicContact CB-CB 3.81Å; P536-A800 VanDerWaalsContact CB-N 3.33Å; P536-A800 HydrophobicContact CG-CB 4.02Å |
| 537 | P | 37.9 | Very low | 32.3 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 57% | 0.571 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 136.6 | 162.9 | 31 | -33.7 | 0 | 0 | 0 | 111.1 | T798 | P537-T798 HydrophobicContact CG-CG2 3.61Š|
| 538 | L | 31.9 | Very low | 32.3 | Very low | 157 Ų | 157 | 123.1 Ų | 123.1 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 131.6 | 176.3 | -68.4 | 165.8 | 0 | 0 | 0 | 110.7 | ||
| 539 | R | 34.3 | Very low | 32.1 | Very low | 242 Ų | 242 | 125.5 Ų | 125.5 | 91% | 0.913 | 71% | 0.714 | S | S | * | * | trans | -92.5 | 111.1 | 174.5 | -172.5 | 174.9 | -173.6 | 171.2 | 1.1 | 109.8 | K541 | R539-K541 PolarHBondContact O-N 2.96Š| ||
| 540 | I | 35.6 | Very low | 32.1 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | trans | -61.6 | 135.9 | 167.9 | -61.6 | 176.1 | 0 | 0 | 0 | 108.4 | F542 | I540-F542 HydrophobicContact CG2-CE1 4.5Š| ||
| 541 | K | 30.5 | Very low | 32 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 57% | 0.574 | 71% | 0.712 | S | S | * | * | trans | -85 | 148.2 | -175.7 | -168.7 | 159.9 | 155.9 | -98.3 | 0 | 109.7 | R539 D1216 | R539-K541 PolarHBondContact O-N 2.96Å; K541-D1216 IonicContact NZ-OD1 3.45Å; K541-D1216 PolarHBondContact NZ-OD1 2.92Å | ||
| 542 | F | 36 | Very low | 32 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 53% | 0.526 | 71% | 0.707 | S | S | . | * | trans | -122.6 | 101.4 | 165.3 | -64.1 | -39.7 | 0 | 0 | 0 | 108.2 | I540 S544 W1213 | I540-F542 HydrophobicContact CG2-CE1 4.5Å; F542-S544 PolarHBondContact O-N 2.91Å; F542-W1213 AromaticContact CD1-CD1 3.83Å; F542-W1213 AromaticContact CD1-NE1 3.65Å | ||
| 543 | A | 29.2 | Very low | 31.8 | Very low | 43 Ų | 43 | 123.2 Ų | 123.2 | 36% | 0.355 | 71% | 0.707 | S | S | . | * | trans | -66.7 | 111.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | D1216 | A543-D1216 WeakPolarHBondContact CB-OD2 3.3Å; A543-D1216 PolarHBondContact N-OD2 3.01Å | ||
| 544 | S | 32.5 | Very low | 31.7 | Very low | 86 Ų | 86 | 122 Ų | 122 | 60% | 0.601 | 70% | 0.702 | S | S | * | * | trans | -160.3 | 132.3 | 163.9 | -78 | 0 | 0 | 0 | 0 | 110.9 | F542 | F542-S544 PolarHBondContact O-N 2.91Š| ||
| 545 | G | 31.7 | Very low | 31.4 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | trans | 83.2 | 94.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 546 | T | 29 | Very low | 31.4 | Very low | 147 Ų | 147 | 119.3 Ų | 119.3 | 90% | 0.902 | 70% | 0.704 | S | S | * | * | trans | -110.6 | 116.8 | 167.4 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 547 | S | 30.8 | Very low | 31.3 | Very low | 121 Ų | 121 | 121 Ų | 121 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | trans | -160.9 | 138.2 | 152.8 | 55.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 548 | G | 30 | Very low | 30.8 | Very low | 61 Ų | 61 | 120.1 Ų | 120.1 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | trans | -82.1 | -162.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 549 | D | 30.2 | Very low | 30.6 | Very low | 157 Ų | 157 | 116.2 Ų | 116.2 | 84% | 0.84 | 69% | 0.69 | S | S | * | * | cis | -149.6 | -164.5 | 7.9 | -79.4 | -63.9 | 0 | 0 | 0 | 110.9 | ||||
| 550 | E | 30.5 | Very low | 30.4 | Very low | 186 Ų | 186 | 106.1 Ų | 106.1 | 87% | 0.869 | 66% | 0.657 | S | S | * | * | trans | 78.6 | 161.5 | 165.1 | -60.9 | -72.9 | 106.6 | 0 | 0 | 119.1 | ||||
| 551 | S | 28.3 | Very low | 30.1 | Very low | 108 Ų | 108 | 104.5 Ų | 104.5 | 76% | 0.755 | 65% | 0.653 | S | S | * | * | trans | -158.2 | 135.3 | -158.3 | 61.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 552 | S | 32 | Very low | 30 | Very low | 113 Ų | 113 | 101.3 Ų | 101.3 | 79% | 0.79 | 66% | 0.658 | S | S | * | * | trans | 175.2 | 116.9 | 143.9 | 54.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 553 | S | 29.3 | Very low | 30 | Very low | 104 Ų | 104 | 97.2 Ų | 97.2 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | trans | 24.4 | 134 | 135.9 | 67.3 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 554 | M | 29.1 | Very low | 30 | Very low | 156 Ų | 156 | 99.8 Ų | 99.8 | 77% | 0.768 | 66% | 0.657 | S | S | * | * | 135.8 | 136.8 | 123 | -67.1 | -134 | 104.2 | 0 | 0 | 120.2 | |||||
| 555 | T | 27.2 | Very low | 29.8 | Very low | 117 Ų | 117 | 100 Ų | 100 | 72% | 0.718 | 66% | 0.658 | S | S | * | * | trans | 51.3 | 128.4 | 153.4 | 52.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 556 | S | 30.1 | Very low | 29.7 | Very low | 104 Ų | 104 | 99.3 Ų | 99.3 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | cis | 85.3 | 146.5 | 46.7 | 88.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 557 | S | 30.5 | Very low | 29.8 | Very low | 79 Ų | 79 | 95.8 Ų | 95.8 | 55% | 0.552 | 64% | 0.643 | S | S | * | * | cis | -160 | 166.8 | 16.8 | -64 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 558 | C | 28.4 | Very low | 29.7 | Very low | 68 Ų | 68 | 97.7 Ų | 97.7 | 46% | 0.459 | 64% | 0.643 | S | S | . | * | trans | 57.8 | -172.6 | 143.8 | 76.3 | 0 | 0 | 0 | 0 | 123.1 | R820 | C558-R820 VanDerWaalsContact CA-O 3.29Å; C558-R820 WeakPolarHBondContact CA-O 2.85Å | ||
| 559 | M | 27.1 | Very low | 29.5 | Very low | 75 Ų | 75 | 102.1 Ų | 102.1 | 37% | 0.369 | 65% | 0.651 | S | S | . | * | -132 | 148.8 | -82.2 | -94.1 | -162.7 | 73.4 | 0 | 0 | 111.9 | K819 R820 K821 | M559-K819 HydrophobicContact CG-CB 4.35Å; M559-K819 HydrophobicContact CG-CD 4.48Å; M559-K819 WeakPolarHBondContact SD-CA 3.39Å; M559-K819 HydrophobicContact SD-CB 3.3Å; M559-K819 WeakPolarHBondContact SD-CB 3.47Å; M559-K819 HydrophobicContact SD-CD 3.55Å; M559-K819 VanDerWaalsContact SD-CD 3.55Å; M559-K819 HydrophobicContact SD-CG 3.27Å; M559-K819 WeakPolarHBondContact SD-CG 3.36Å; M559-R820 HydrophobicContact CE-CB 3.97Å; M559-R820 HydrophobicContact CG-CB 3.8Å; M559-R820 VanDerWaalsContact CG-O 3.28Å; M559-R820 WeakPolarHBondContact CG-O 3.14Å; M559-R820 HydrophobicContact SD-CB 3.83Å; M559-R820 PolarHBondContact SD-N 3.06Å; M559-K821 HydrophobicContact CG-CB 4.26Å | |||
| 560 | S | 30.5 | Very low | 29.2 | Very low | 31 Ų | 31 | 100.4 Ų | 100.4 | 22% | 0.217 | 65% | 0.646 | C | S | . | * | 75.9 | 105.2 | 59.4 | -108.9 | 0 | 0 | 0 | 0 | 115.4 | K821 | S560-K821 WeakPolarHBondContact OG-CD 3.41Å; S560-K821 PolarHBondContact OG-NZ 2.97Å | |||
| 561 | V | 29.3 | Very low | 28.9 | Very low | 104 Ų | 104 | 103 Ų | 103 | 63% | 0.63 | 65% | 0.648 | S | S | * | * | 76 | 148.5 | 91.8 | -50.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 562 | G | 29.3 | Very low | 28.7 | Very low | 65 Ų | 65 | 102.5 Ų | 102.5 | 67% | 0.67 | 64% | 0.642 | S | S | * | * | trans | 134.8 | 63.6 | 152 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 563 | A | 34.5 | Very low | 28.3 | Very low | 33 Ų | 33 | 103.8 Ų | 103.8 | 27% | 0.273 | 64% | 0.639 | S | S | . | * | 29.9 | 143.9 | 118.6 | 0 | 0 | 0 | 0 | 0 | 126.5 | N253 N254 | N253-A563 HydrophobicContact CB-CB 4.41Å; N254-A563 HydrophobicContact CB-CB 4.15Å; N254-A563 WeakPolarHBondContact O-CA 3.25Å; N254-A563 VanDerWaalsContact O-CB 3.22Å; N254-A563 WeakPolarHBondContact O-CB 3.1Å | |||
| 564 | T | 29.2 | Very low | 28.1 | Very low | 97 Ų | 97 | 105 Ų | 105 | 60% | 0.595 | 64% | 0.637 | S | S | * | * | trans | -158.5 | 158.7 | 161 | 45.3 | 0 | 0 | 0 | 0 | 112.4 | N254 S255 G256 | N254-T564 CarbonylContact C-O 3.33Å; N254-T564 VanDerWaalsContact CB-C 3.42Å; N254-T564 WeakPolarHBondContact CB-O 3.42Å; S255-T564 CarbonylContact C-O 3.57Å; S255-T564 WeakPolarHBondContact CA-O 3.36Å; S255-T564 PolarHBondContact N-O 3.43Å; G256-T564 PolarHBondContact N-O 3.03Å | ||
| 565 | C | 28.1 | Very low | 28.1 | Very low | 91 Ų | 91 | 104.2 Ų | 104.2 | 62% | 0.615 | 64% | 0.636 | S | S | * | * | trans | -146.4 | 162.4 | -169.9 | 133 | 0 | 0 | 0 | 0 | 117 | N254 G256 | N254-C565 HydrophobicContact CB-CB 3.37Å; N254-C565 WeakPolarHBondContact OD1-CB 3.21Å; G256-C565 WeakPolarHBondContact O-CA 3.27Å | ||
| 566 | G | 31.2 | Very low | 28.2 | Very low | 68 Ų | 68 | 103.4 Ų | 103.4 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | trans | 135.2 | 153.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 567 | G | 31.3 | Very low | 28.2 | Very low | 73 Ų | 73 | 105.5 Ų | 105.5 | 75% | 0.753 | 63% | 0.629 | S | S | * | * | trans | 130 | 118.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 568 | L | 28.4 | Very low | 28.2 | Very low | 161 Ų | 161 | 106.8 Ų | 106.8 | 84% | 0.843 | 63% | 0.63 | S | S | * | * | 71.4 | 138.4 | 122.5 | -66.6 | 166.7 | 0 | 0 | 0 | 126.9 | |||||
| 569 | I | 25.4 | Very low | 28.2 | Very low | 155 Ų | 155 | 110.3 Ų | 110.3 | 80% | 0.795 | 64% | 0.644 | S | S | * | * | trans | 85.4 | 166.7 | 138.1 | -73.3 | 167.7 | 0 | 0 | 0 | 121.4 | ||||
| 570 | T | 23.3 | Very low | 28.2 | Very low | 121 Ų | 121 | 111.2 Ų | 111.2 | 74% | 0.742 | 66% | 0.657 | S | S | * | * | trans | -106.9 | 146.4 | -154.5 | 55.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 571 | R | 25.5 | Very low | 28.2 | Very low | 240 Ų | 240 | 114.5 Ų | 114.5 | 91% | 0.906 | 68% | 0.681 | S | S | * | * | trans | 67.6 | -179.1 | 152.5 | -135.1 | 177.4 | -176.7 | -179.7 | 0.2 | 114.7 | ||||
| 572 | P | 24.2 | Very low | 28.3 | Very low | 98 Ų | 98 | 115.8 Ų | 115.8 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | -93.7 | -179 | -106.2 | 42.5 | -33.6 | 0 | 0 | 0 | 114.6 | |||||
| 573 | I | 23.6 | Very low | 28.3 | Very low | 140 Ų | 140 | 119.9 Ų | 119.9 | 72% | 0.718 | 69% | 0.686 | S | S | * | * | trans | 74.3 | 125.1 | 150.7 | -79.9 | 164.6 | 0 | 0 | 0 | 117.2 | ||||
| 574 | N | 25.1 | Very low | 28.1 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | trans | 43.8 | 132.4 | 143.3 | -56.9 | 4.4 | 0 | 0 | 0 | 122 | ||||
| 575 | N | 27.4 | Very low | 28.2 | Very low | 139 Ų | 139 | 125 Ų | 125 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | 97.6 | 138.2 | 120.5 | -87.8 | 23.1 | 0 | 0 | 0 | 122.3 | |||||
| 576 | V | 29.9 | Very low | 28.4 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 61% | 0.606 | 72% | 0.719 | S | S | * | * | trans | 88.5 | 93.3 | 134.7 | 164.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 577 | E | 29.8 | Very low | 28.4 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | 82.5 | 152.1 | 124 | -74.1 | 174.6 | -137.4 | 0 | 0 | 119.4 | |||||
| 578 | N | 30 | Very low | 28.6 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 56% | 0.561 | 70% | 0.7 | S | S | * | * | cis | -143.7 | 141 | 11.5 | -127 | -32.9 | 0 | 0 | 0 | 114.5 | ||||
| 579 | N | 28.6 | Very low | 28.8 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | trans | 63.3 | 145.8 | 149.2 | -68.7 | -35.2 | 0 | 0 | 0 | 120.8 | ||||
| 580 | S | 27.8 | Very low | 29.2 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | cis | -147 | 130.4 | 4.9 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 581 | S | 30 | Very low | 29.6 | Very low | 101 Ų | 101 | 123 Ų | 123 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | trans | 61.7 | 153.5 | 144.1 | 67.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 582 | N | 31.2 | Very low | 29.9 | Very low | 131 Ų | 131 | 116.7 Ų | 116.7 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | cis | -167.8 | 160.8 | -21.6 | -98.6 | 18.2 | 0 | 0 | 0 | 103.8 | ||||
| 583 | E | 29.1 | Very low | 30.1 | Very low | 151 Ų | 151 | 121.4 Ų | 121.4 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | cis | -171.1 | 155.7 | -16.6 | -107.6 | 179 | 128.6 | 0 | 0 | 106.4 | ||||
| 584 | S | 31.5 | Very low | 30.6 | Very low | 107 Ų | 107 | 120 Ų | 120 | 75% | 0.748 | 65% | 0.654 | S | S | * | * | trans | 66.3 | 158.4 | 161.5 | 81.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 585 | N | 30.3 | Very low | 30.5 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 69% | 0.69 | 66% | 0.663 | S | S | * | * | cis | -170.4 | 173.4 | -12.5 | -110.3 | 23.5 | 0 | 0 | 0 | 107.1 | ||||
| 586 | M | 32 | Very low | 30.5 | Very low | 149 Ų | 149 | 124 Ų | 124 | 73% | 0.734 | 66% | 0.662 | S | S | * | * | cis | 177.2 | 149.8 | -29.1 | -104.3 | -171.8 | -177 | 0 | 0 | 106.1 | ||||
| 587 | N | 32.3 | Very low | 30.3 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 64% | 0.642 | 66% | 0.664 | S | S | * | * | cis | -168.2 | 170.2 | -16.3 | -142.6 | 62.5 | 0 | 0 | 0 | 109.6 | ||||
| 588 | D | 34.8 | Very low | 30.2 | Very low | 79 Ų | 79 | 123.2 Ų | 123.2 | 42% | 0.422 | 67% | 0.667 | S | S | . | * | trans | 66.6 | 171.8 | 159.8 | -70 | -66.9 | 0 | 0 | 0 | 118.9 | E1046 D1047 | D588-E1046 CarbonylContact C-O 3.59Å; D588-E1046 CarbonylContact O-C 3.55Å; D588-E1046 VanDerWaalsContact O-O 3.04Å; D588-D1047 PolarHBondContact O-N 3.49Å | ||
| 589 | K | 34.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 126 Ų | 126 | 50% | 0.5 | 68% | 0.681 | S | S | . | * | -165.3 | -170.9 | -57.8 | -145.3 | 163.3 | 55.7 | -78.5 | 0 | 113.9 | E1046 D1047 | K589-E1046 PolarHBondContact N-O 3.06Å; K589-E1046 CarbonylContact O-C 3.08Å; K589-D1047 VanDerWaalsContact N-N 3.15Å | |||
| 590 | C | 33.1 | Very low | 30.2 | Very low | 53 Ų | 53 | 122.4 Ų | 122.4 | 36% | 0.358 | 68% | 0.678 | S | S | . | * | trans | 92.4 | -178.6 | 155.7 | -64.5 | 0 | 0 | 0 | 0 | 120.5 | D1045 R1048 | C590-D1045 HydrophobicContact CB-CB 3.81Å; C590-D1045 VanDerWaalsContact CB-OD2 3.26Å; C590-D1045 WeakPolarHBondContact CB-OD2 3.37Å; C590-D1045 PolarHBondContact SG-OD2 2.85Å; C590-R1048 VanDerWaalsContact O-CD 3.3Å; C590-R1048 WeakPolarHBondContact O-CD 3.29Å; C590-R1048 PolarHBondContact O-NE 2.86Å | ||
| 591 | D | 31.6 | Very low | 30.2 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 60% | 0.599 | 69% | 0.688 | S | S | * | * | trans | -162.6 | 162 | -135.8 | -147.2 | -26.3 | 0 | 0 | 0 | 119 | R1048 | D591-R1048 VanDerWaalsContact CG-CZ 3.43Å; D591-R1048 IonicContact OD1-CZ 3.39Å; D591-R1048 VanDerWaalsContact OD1-CZ 3.31Å; D591-R1048 IonicContact OD1-NH1 2.92Å; D591-R1048 PolarHBondContact OD1-NH1 3.02Å; D591-R1048 IonicContact OD1-NH2 3.31Å; D591-R1048 PolarHBondContact OD1-NH2 2.88Å; D591-R1048 IonicContact OD2-CZ 3.91Å; D591-R1048 IonicContact OD2-NH1 3.89Å; D591-R1048 IonicContact OD2-NH2 2.76Å; D591-R1048 PolarHBondContact OD2-NH2 3.34Å | ||
| 592 | V | 30.9 | Very low | 30 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 65% | 0.648 | 69% | 0.692 | S | S | * | * | trans | 88.8 | 108.7 | 149.5 | 177.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 593 | K | 30 | Very low | 29.7 | Very low | 198 Ų | 198 | 128.3 Ų | 128.3 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | trans | 60.7 | -179.4 | 146.8 | -101.4 | 171.1 | -177.9 | 168.4 | 0 | 117.9 | ||||
| 594 | P | 33.6 | Very low | 29.6 | Very low | 109 Ų | 109 | 126 Ų | 126 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | cis | -133.4 | 178.6 | -12.6 | 40.7 | -23.1 | 0 | 0 | 0 | 116.8 | ||||
| 595 | R | 22.9 | Very low | 29.3 | Very low | 233 Ų | 233 | 127.1 Ų | 127.1 | 88% | 0.879 | 69% | 0.689 | S | S | * | * | trans | 13.8 | 145.2 | 141.5 | -75.7 | -176.7 | 172.7 | 168.4 | -3.4 | 124.1 | ||||
| 596 | V | 27.3 | Very low | 29.2 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | trans | 91.6 | 97.5 | 132.5 | 162.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 597 | S | 25.5 | Very low | 29.2 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | 82 | 148.7 | 116.3 | -56.1 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 598 | D | 27.9 | Very low | 29.2 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 75% | 0.749 | 69% | 0.69 | S | S | * | * | trans | 88 | 128.4 | 147.1 | -57 | -26.4 | 0 | 0 | 0 | 122.9 | ||||
| 599 | D | 28.6 | Very low | 29.3 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 87% | 0.866 | 71% | 0.708 | S | S | * | * | trans | 59.5 | 144.5 | 151.6 | -65 | -22.7 | 0 | 0 | 0 | 123.2 | ||||
| 600 | G | 29.5 | Very low | 29.3 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | 163.9 | 16 | 154 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 601 | L | 27.1 | Very low | 29.4 | Very low | 161 Ų | 161 | 134 Ų | 134 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | 33.2 | 119.6 | 161.9 | -81.7 | 134.6 | 0 | 0 | 0 | 120.8 | ||||
| 602 | M | 25.9 | Very low | 29.4 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | 29.4 | 133.5 | 122.2 | -56.2 | -71.5 | -160.7 | 0 | 0 | 120.1 | |||||
| 603 | T | 26.3 | Very low | 29.3 | Very low | 127 Ų | 127 | 135 Ų | 135 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | -166.4 | 109.9 | 114.8 | -78.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 604 | V | 26.1 | Very low | 29.4 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 61% | 0.612 | 74% | 0.744 | S | S | * | * | trans | 16.2 | 125.8 | 137.1 | -152.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 605 | N | 26.6 | Very low | 29 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | 163.6 | 118.5 | 117.6 | -87.4 | -63.3 | 0 | 0 | 0 | 110.1 | |||||
| 606 | N | 28.3 | Very low | 29.1 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | 71.1 | 108.6 | 70.9 | -71.1 | -37 | 0 | 0 | 0 | 114.6 | |||||
| 607 | K | 31.6 | Very low | 29.1 | Very low | 201 Ų | 201 | 121.4 Ų | 121.4 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | 168.9 | 152.5 | 126.7 | -95 | -170.1 | 174.2 | -173.3 | 0 | 111.5 | |||||
| 608 | S | 32.5 | Very low | 29 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 52% | 0.524 | 72% | 0.723 | S | S | . | * | cis | -171.6 | 178.5 | -28.9 | 43 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 609 | D | 36.1 | Very low | 29 | Very low | 150 Ų | 150 | 119.6 Ų | 119.6 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | trans | 74.8 | 110.1 | 155.9 | -48.7 | -50.3 | 0 | 0 | 0 | 118.2 | ||||
| 610 | G | 34.7 | Very low | 28.8 | Very low | 70 Ų | 70 | 117.2 Ų | 117.2 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | cis | 137 | 176.3 | -18.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 611 | K | 34.7 | Very low | 28.5 | Very low | 164 Ų | 164 | 118.2 Ų | 118.2 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | trans | 67.9 | 148.1 | 167.6 | -64.5 | 168.9 | 153.4 | -78.1 | 0 | 117.1 | ||||
| 612 | E | 31.2 | Very low | 28.4 | Very low | 146 Ų | 146 | 113.2 Ų | 113.2 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | cis | -147.7 | 121.4 | -13.1 | -116.2 | 154.4 | 164.8 | 0 | 0 | 106.9 | ||||
| 613 | A | 30.1 | Very low | 28.3 | Very low | 94 Ų | 94 | 110 Ų | 110 | 78% | 0.777 | 66% | 0.66 | S | S | * | * | 60.9 | 101 | 95.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 614 | G | 31.2 | Very low | 28.2 | Very low | 80 Ų | 80 | 106.3 Ų | 106.3 | 83% | 0.825 | 64% | 0.639 | S | S | * | * | trans | -149.7 | 17.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 615 | V | 26.1 | Very low | 28.1 | Very low | 122 Ų | 122 | 107 Ų | 107 | 74% | 0.739 | 64% | 0.643 | S | S | * | * | trans | 10.7 | 145 | 160.1 | 177.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 616 | T | 24.9 | Very low | 28.2 | Very low | 114 Ų | 114 | 106.4 Ų | 106.4 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | trans | 82.2 | 96.3 | 163.6 | 38.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 617 | V | 27.2 | Very low | 28.3 | Very low | 58 Ų | 58 | 104.4 Ų | 104.4 | 35% | 0.352 | 64% | 0.64 | S | S | . | * | trans | 43.2 | 104.7 | 133.5 | -149.6 | 0 | 0 | 0 | 0 | 117.8 | T918 | V617-T918 HydrophobicContact CB-CG2 4.12Å; V617-T918 HydrophobicContact CG1-CG2 3.42Å; V617-T918 VanDerWaalsContact CG1-CG2 3.42Å; V617-T918 HydrophobicContact CG2-CG2 3.65Å; V617-T918 WeakPolarHBondContact CG2-OG1 3.28Å | ||
| 618 | T | 23.4 | Very low | 28.1 | Very low | 119 Ų | 119 | 100.2 Ų | 100.2 | 73% | 0.73 | 63% | 0.631 | S | S | * | * | trans | 158.5 | 76.2 | 150.5 | 33.4 | 0 | 0 | 0 | 0 | 112.1 | D919 | T618-D919 PolarHBondContact N-OD2 2.96Š| ||
| 619 | S | 26.7 | Very low | 28.1 | Very low | 76 Ų | 76 | 102.1 Ų | 102.1 | 53% | 0.531 | 64% | 0.641 | S | S | . | * | trans | -158.8 | 115.1 | 152.1 | -137.6 | 0 | 0 | 0 | 0 | 107.5 | D919 | S619-D919 PolarHBondContact N-OD2 3.09Š| ||
| 620 | I | 23.7 | Very low | 27.8 | Very low | 112 Ų | 112 | 100.4 Ų | 100.4 | 57% | 0.574 | 63% | 0.629 | S | S | * | * | cis | 57.2 | 136.2 | 32.5 | -31.7 | 174 | 0 | 0 | 0 | 112.4 | ||||
| 621 | V | 23.2 | Very low | 27.7 | Very low | 90 Ų | 90 | 101.6 Ų | 101.6 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | trans | 68.6 | 125.6 | 179.5 | -156.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 622 | S | 26.7 | Very low | 27.4 | Very low | 56 Ų | 56 | 95.8 Ų | 95.8 | 39% | 0.392 | 59% | 0.592 | S | S | . | * | cis | -136.4 | 88.3 | 46.6 | -58.2 | 0 | 0 | 0 | 0 | 114.8 | S938 | S622-S938 VanDerWaalsContact O-CB 3.22Å; S622-S938 WeakPolarHBondContact O-CB 3.4Å | ||
| 623 | T | 23.5 | Very low | 27.3 | Very low | 95 Ų | 95 | 93.7 Ų | 93.7 | 58% | 0.583 | 59% | 0.593 | S | S | * | * | -80.8 | 101.9 | 128.3 | 34.5 | 0 | 0 | 0 | 0 | 108.1 | V939 | T623-V939 VanDerWaalsContact CA-CG1 3.47Å; T623-V939 HydrophobicContact CG2-CG1 4.03Å | |||
| 624 | S | 24.1 | Very low | 27.1 | Very low | 49 Ų | 49 | 95.3 Ų | 95.3 | 34% | 0.343 | 60% | 0.598 | S | S | . | * | trans | -147.1 | 128.2 | 174.6 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | V939 | S624-V939 WeakPolarHBondContact O-CG2 3.41Š| ||
| 625 | V | 24.4 | Very low | 26.9 | Very low | 116 Ų | 116 | 96.5 Ų | 96.5 | 70% | 0.703 | 59% | 0.593 | S | S | * | * | trans | 59.8 | 137.6 | 158.8 | -56.1 | 0 | 0 | 0 | 0 | 118.9 | V939 | V625-V939 VanDerWaalsContact O-CG2 3.25Å; V625-V939 WeakPolarHBondContact O-CG2 3.41Å | ||
| 626 | V | 27.3 | Very low | 26.9 | Very low | 118 Ų | 118 | 95.8 Ų | 95.8 | 72% | 0.715 | 59% | 0.594 | S | S | * | * | cis | -142.9 | 123.2 | 39.1 | 177.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 627 | S | 31.1 | Very low | 27.1 | Very low | 88 Ų | 88 | 96.7 Ų | 96.7 | 62% | 0.615 | 60% | 0.599 | S | S | * | * | trans | 63.4 | 134.1 | 154.7 | -56.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 628 | V | 28.1 | Very low | 27.1 | Very low | 113 Ų | 113 | 101.1 Ų | 101.1 | 69% | 0.685 | 62% | 0.616 | S | S | * | * | cis | 76.1 | 137.3 | 31 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 629 | P | 32.3 | Very low | 27.4 | Very low | 114 Ų | 114 | 101.6 Ų | 101.6 | 74% | 0.74 | 61% | 0.614 | S | S | * | * | cis | -114.4 | 175 | 11.9 | 12.8 | 13.1 | 0 | 0 | 0 | 114.7 | ||||
| 630 | E | 30.3 | Very low | 27.6 | Very low | 114 Ų | 114 | 105.6 Ų | 105.6 | 53% | 0.533 | 63% | 0.628 | S | S | . | * | cis | 111.6 | 139.5 | 13.3 | -161.7 | -163.1 | -121.9 | 0 | 0 | 114.3 | ||||
| 631 | K | 30.6 | Very low | 28.1 | Very low | 95 Ų | 95 | 103.5 Ų | 103.5 | 41% | 0.413 | 63% | 0.634 | S | S | . | * | trans | 89.6 | 143.9 | 172.6 | -71.2 | 130.7 | -176.6 | 170.5 | 0 | 119.3 | T947 T948 T949 | K631-T947 WeakPolarHBondContact CE-O 3.47Å; K631-T948 VanDerWaalsContact CE-C 3.46Å; K631-T948 WeakPolarHBondContact CE-O 3.47Å; K631-T948 PolarHBondContact NZ-O 2.95Å; K631-T949 WeakPolarHBondContact CE-O 3.27Å; K631-T949 PolarHBondContact NZ-O 3.19Å | ||
| 632 | V | 28.9 | Very low | 28.7 | Very low | 43 Ų | 43 | 107.4 Ų | 107.4 | 26% | 0.261 | 65% | 0.652 | S | S | . | * | cis | 143.3 | 128.8 | -23.2 | 158.9 | 0 | 0 | 0 | 0 | 110.2 | T945 T947 | V632-T945 HydrophobicContact CG2-CG2 3.75Å; V632-T947 HydrophobicContact CG1-CG2 4.25Å | ||
| 633 | S | 28.5 | Very low | 29.3 | Very low | 101 Ų | 101 | 108.7 Ų | 108.7 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | trans | 165.9 | 115.4 | 130.4 | -73.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 634 | C | 26.1 | Very low | 30 | Very low | 129 Ų | 129 | 108.7 Ų | 108.7 | 87% | 0.872 | 67% | 0.67 | S | S | * | * | trans | 59 | 178.9 | 130.8 | -58.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 635 | S | 27.4 | Very low | 30.8 | Very low | 104 Ų | 104 | 113.3 Ų | 113.3 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -150.7 | 171.6 | -151.9 | 63.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 636 | S | 26.9 | Very low | 31.7 | Very low | 108 Ų | 108 | 111 Ų | 111 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | 80.1 | 131.7 | 155.8 | -44.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 637 | V | 29.3 | Very low | 32.1 | Very low | 133 Ų | 133 | 111.9 Ų | 111.9 | 81% | 0.806 | 70% | 0.702 | S | S | * | * | 176.2 | 155.8 | 128.4 | 150.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 638 | E | 27.2 | Very low | 32.5 | Very low | 151 Ų | 151 | 111.2 Ų | 111.2 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | trans | -91.2 | 168.3 | -163.5 | -45.5 | 106.3 | 126.7 | 0 | 0 | 117.3 | ||||
| 639 | N | 28.7 | Very low | 32.8 | Very low | 129 Ų | 129 | 110.2 Ų | 110.2 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | 168.4 | 119.2 | 111.1 | -87.1 | -65.7 | 0 | 0 | 0 | 117.5 | |||||
| 640 | I | 31.3 | Very low | 32.7 | Very low | 160 Ų | 160 | 110.9 Ų | 110.9 | 82% | 0.821 | 71% | 0.714 | S | S | * | * | trans | 61.3 | 127.6 | 131.8 | -53.4 | 167.8 | 0 | 0 | 0 | 123.4 | ||||
| 641 | G | 34.6 | Very low | 32.7 | Very low | 68 Ų | 68 | 110.9 Ų | 110.9 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | 143.5 | 85.8 | 139 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 642 | D | 35 | Very low | 32.7 | Very low | 172 Ų | 172 | 113 Ų | 113 | 92% | 0.92 | 74% | 0.737 | S | S | * | * | trans | 29.2 | 143.6 | 142.1 | -46.3 | -23.9 | 0 | 0 | 0 | 128.3 | ||||
| 643 | G | 38.9 | Very low | 32.8 | Very low | 82 Ų | 82 | 117.3 Ų | 117.3 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | 143.9 | 119.1 | 137.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 644 | N | 39.6 | Very low | 32.8 | Very low | 96 Ų | 96 | 116 Ų | 116 | 51% | 0.513 | 76% | 0.758 | S | S | . | * | trans | -95.6 | 166.1 | -164.7 | -102.1 | 42.9 | 0 | 0 | 0 | 122.9 | V971 | N644-V971 WeakPolarHBondContact OD1-CG1 3.5Å; N644-V971 WeakPolarHBondContact OD1-CG2 3.41Å | ||
| 645 | D | 41 | Very low | 33 | Very low | 146 Ų | 146 | 117 Ų | 117 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | 67.5 | 153 | 138 | -61.5 | -23.4 | 0 | 0 | 0 | 128 | ||||
| 646 | G | 42.1 | Very low | 33.4 | Very low | 67 Ų | 67 | 115.4 Ų | 115.4 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | trans | 179.7 | -30.4 | 141.8 | 0 | 0 | 0 | 0 | 0 | 130.3 | ||||
| 647 | S | 37.1 | Very low | 33.6 | Very low | 137 Ų | 137 | 116.3 Ų | 116.3 | 96% | 0.958 | 76% | 0.762 | S | S | * | * | trans | 63.6 | 167.4 | 175.4 | 82 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 648 | G | 38.3 | Very low | 33.7 | Very low | 74 Ų | 74 | 115.4 Ų | 115.4 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | trans | 145.1 | 55.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 127 | ||||
| 649 | A | 33.8 | Very low | 34 | Very low | 92 Ų | 92 | 116.2 Ų | 116.2 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | 42.3 | 117.8 | 145.3 | 0 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 650 | T | 31.7 | Very low | 33.9 | Very low | 127 Ų | 127 | 116 Ų | 116 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | 59.6 | 136.7 | 122.4 | -32.8 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 651 | T | 30.1 | Very low | 33.8 | Very low | 114 Ų | 114 | 114.2 Ų | 114.2 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | 148 | 96.5 | 122.7 | -56.3 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 652 | I | 29.6 | Very low | 33.6 | Very low | 141 Ų | 141 | 118.4 Ų | 118.4 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | trans | 67.6 | 145.6 | 131.4 | -59 | 177.3 | 0 | 0 | 0 | 124.2 | ||||
| 653 | T | 31.1 | Very low | 33.4 | Very low | 133 Ų | 133 | 115.8 Ų | 115.8 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | trans | 68.7 | 142.7 | 161.5 | 40.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 654 | A | 29.9 | Very low | 32.8 | Very low | 72 Ų | 72 | 119.3 Ų | 119.3 | 60% | 0.595 | 74% | 0.742 | S | S | * | * | cis | 168.9 | 154.3 | -17.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 655 | T | 30.4 | Very low | 32.2 | Very low | 151 Ų | 151 | 124.2 Ų | 124.2 | 93% | 0.926 | 75% | 0.754 | S | S | * | * | trans | 61.4 | 136.1 | 160.4 | 53.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 656 | G | 34.1 | Very low | 31.4 | Very low | 70 Ų | 70 | 121.8 Ų | 121.8 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | 153.8 | 57.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 657 | T | 31.7 | Very low | 30.6 | Very low | 128 Ų | 128 | 123.1 Ų | 123.1 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 27.9 | 149.4 | 145.9 | 50.1 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 658 | T | 32.2 | Very low | 30.3 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | 81.9 | 124.2 | 144.4 | 40 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 659 | E | 32.2 | Very low | 29.8 | Very low | 167 Ų | 167 | 127.1 Ų | 127.1 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | trans | 73.1 | 92.1 | 134.5 | -67.6 | 177.2 | -175.2 | 0 | 0 | 122.2 | ||||
| 660 | T | 27.5 | Very low | 29.6 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 77% | 0.767 | 73% | 0.728 | S | S | * | * | 42.7 | 140 | 117.4 | 59.5 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 661 | V | 28.5 | Very low | 29.6 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | trans | 127.8 | 133.4 | 142.1 | 175.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 662 | H | 31.2 | Very low | 29.7 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | trans | 72 | 124.6 | 163.1 | -83.5 | -49.1 | 0 | 0 | 0 | 122.9 | ||||
| 663 | D | 31.1 | Very low | 29.8 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | 67.4 | 110.5 | 126.2 | -61.3 | 4 | 0 | 0 | 0 | 123.6 | |||||
| 664 | Q | 25.7 | Very low | 29.9 | Very low | 157 Ų | 157 | 128.1 Ų | 128.1 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | 44.3 | 148 | 117.3 | -53.7 | -169.7 | 31.1 | 0 | 0 | 122.3 | |||||
| 665 | Y | 26.4 | Very low | 30.1 | Very low | 198 Ų | 198 | 126.6 Ų | 126.6 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | 81.6 | 102.4 | 161.1 | -79.3 | -77 | 0 | 0 | 0 | 120.1 | ||||
| 666 | S | 24.7 | Very low | 30.1 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 67% | 0.671 | 66% | 0.664 | S | S | * | * | 75.3 | 125.9 | 126.2 | -81.7 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 667 | S | 25.6 | Very low | 30.1 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 66% | 0.657 | 65% | 0.654 | S | S | * | * | 87.3 | 161.3 | 123.9 | 73.5 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 668 | H | 29.9 | Very low | 30 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 69% | 0.69 | 65% | 0.65 | S | S | * | * | trans | 71.7 | 118.1 | 176.1 | -70.3 | -71.4 | 0 | 0 | 0 | 115.8 | ||||
| 669 | H | 28.7 | Very low | 29.9 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 68% | 0.676 | 65% | 0.652 | S | S | * | * | 73.3 | 147.6 | 98.5 | -76.9 | -142.4 | 0 | 0 | 0 | 112.7 | |||||
| 670 | E | 30.2 | Very low | 29.8 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 70% | 0.696 | 65% | 0.649 | S | S | * | * | cis | -143.3 | 133.7 | 6.7 | -130.9 | 137.7 | -145.5 | 0 | 0 | 106 | ||||
| 671 | K | 31.8 | Very low | 29.9 | Very low | 182 Ų | 182 | 123.1 Ų | 123.1 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | 68.7 | 150.3 | 66.8 | -148.3 | -160.8 | 171.2 | -173.2 | 0 | 113.5 | |||||
| 672 | L | 31.4 | Very low | 30 | Very low | 134 Ų | 134 | 123 Ų | 123 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | trans | 77.1 | 138.6 | -177.9 | -74.8 | 87.9 | 0 | 0 | 0 | 113.6 | ||||
| 673 | S | 31.1 | Very low | 29.8 | Very low | 77 Ų | 77 | 122.3 Ų | 122.3 | 54% | 0.538 | 64% | 0.642 | S | S | . | * | cis | -171.9 | -174.1 | -0.3 | -109.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 674 | Q | 34.2 | Very low | 29.7 | Very low | 87 Ų | 87 | 121.8 Ų | 121.8 | 41% | 0.407 | 64% | 0.642 | S | S | . | * | cis | 168.9 | 161.5 | -26.7 | -100.9 | -179.8 | -48 | 0 | 0 | 103 | E965 M966 C967 | Q674-E965 HydrophobicContact CG-CB 4.21Å; Q674-E965 PolarHBondContact NE2-OE2 3.17Å; Q674-M966 CarbonylContact C-O 3.52Å; Q674-M966 WeakPolarHBondContact CA-O 3.46Å; Q674-M966 PolarHBondContact N-O 3.07Å; Q674-C967 VanDerWaalsContact C-C 3.5Å; Q674-C967 CarbonylContact C-O 3.56Å; Q674-C967 VanDerWaalsContact C-O 3.27Å; Q674-C967 CarbonylContact O-C 3.04Å | ||
| 675 | S | 33 | Very low | 30 | Very low | 40 Ų | 40 | 120.5 Ų | 120.5 | 28% | 0.28 | 64% | 0.636 | S | S | . | * | cis | -164.4 | 150.8 | -24.3 | 45.4 | 0 | 0 | 0 | 0 | 110.7 | C967 | S675-C967 CarbonylContact C-O 3.06Å; S675-C967 VanDerWaalsContact CA-N 3.34Å; S675-C967 WeakPolarHBondContact CA-O 3.29Å; S675-C967 PolarHBondContact N-O 2.95Å | ||
| 676 | Y | 31.1 | Very low | 30.3 | Very low | 123 Ų | 123 | 117.9 Ų | 117.9 | 48% | 0.482 | 63% | 0.631 | S | S | . | * | trans | 101.1 | 155.3 | 160.8 | -61 | -84.1 | 0 | 0 | 0 | 122.2 | E965 M966 | Y676-E965 HydrophobicContact CE2-CG 4.49Å; Y676-E965 VanDerWaalsContact OH-CD 3.22Å; Y676-E965 PolarHBondContact OH-OE1 2.93Å; Y676-M966 HydrophobicContact CD1-CE 3.39Å; Y676-M966 HydrophobicContact CD2-CE 4.28Å; Y676-M966 HydrophobicContact CE1-CE 3.46Å; Y676-M966 VanDerWaalsContact CE1-CE 3.46Å; Y676-M966 HydrophobicContact CE2-CE 4.35Å; Y676-M966 HydrophobicContact CG-CE 3.77Å | ||
| 677 | D | 33.3 | Very low | 30.7 | Very low | 98 Ų | 98 | 118.5 Ų | 118.5 | 52% | 0.524 | 63% | 0.626 | S | S | . | * | -178.2 | 179.7 | -58.4 | -153.5 | -7.9 | 0 | 0 | 0 | 110.9 | M966 | D677-M966 HydrophobicContact CB-CE 3.89Å; D677-M966 HydrophobicContact CB-SD 3.74Å; D677-M966 WeakPolarHBondContact OD2-CE 3.32Å | |||
| 678 | H | 31 | Very low | 31.1 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 69% | 0.694 | 63% | 0.627 | S | S | * | * | trans | 68 | 143.9 | 151.8 | -83.6 | -76.5 | 0 | 0 | 0 | 118 | ||||
| 679 | V | 29.6 | Very low | 31.3 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 75% | 0.745 | 63% | 0.63 | S | S | * | * | cis | -170.6 | 177.8 | -13.1 | 77.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 680 | V | 29.1 | Very low | 31.5 | Very low | 116 Ų | 116 | 117.7 Ų | 117.7 | 70% | 0.703 | 63% | 0.626 | S | S | * | * | cis | -154.8 | 148.8 | 18.6 | 112.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 681 | A | 30.3 | Very low | 31.7 | Very low | 72 Ų | 72 | 116.3 Ų | 116.3 | 60% | 0.595 | 63% | 0.628 | S | S | * | * | 69 | 157.5 | 65.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 682 | T | 29.5 | Very low | 31.8 | Very low | 118 Ų | 118 | 115.5 Ų | 115.5 | 72% | 0.724 | 63% | 0.627 | S | S | * | * | cis | -178.3 | 156.5 | -16.4 | 24.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 683 | N | 28.2 | Very low | 31.9 | Very low | 142 Ų | 142 | 114.5 Ų | 114.5 | 76% | 0.759 | 62% | 0.622 | S | S | * | * | cis | -178.1 | 162.4 | -25.5 | -112.4 | 16.6 | 0 | 0 | 0 | 111.9 | ||||
| 684 | V | 29.7 | Very low | 32 | Very low | 106 Ų | 106 | 116.3 Ų | 116.3 | 64% | 0.642 | 64% | 0.635 | S | S | * | * | trans | 80.4 | 113.6 | 136.9 | 162.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 685 | H | 31.5 | Very low | 31.9 | Very low | 131 Ų | 131 | 118.3 Ų | 118.3 | 61% | 0.606 | 65% | 0.647 | S | S | * | * | 71.3 | 152.6 | 126.2 | -78.1 | -128.5 | 0 | 0 | 0 | 128.5 | |||||
| 686 | H | 33.1 | Very low | 31.7 | Very low | 143 Ų | 143 | 121.3 Ų | 121.3 | 66% | 0.662 | 67% | 0.668 | S | S | * | * | trans | 78.1 | 157.8 | 134.9 | -80 | -24.2 | 0 | 0 | 0 | 122.7 | ||||
| 687 | N | 32.6 | Very low | 31.5 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 58% | 0.578 | 68% | 0.679 | S | S | * | * | cis | -169.1 | 163.8 | -31 | -124.5 | 34.1 | 0 | 0 | 0 | 112.5 | ||||
| 688 | E | 32.9 | Very low | 31.4 | Very low | 143 Ų | 143 | 122 Ų | 122 | 67% | 0.668 | 69% | 0.692 | S | S | * | * | trans | 82.5 | 140.8 | 136.8 | -88.5 | 169.9 | -137.1 | 0 | 0 | 127.8 | ||||
| 689 | L | 34.8 | Very low | 32.1 | Very low | 144 Ų | 144 | 120.3 Ų | 120.3 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | trans | 73.9 | 147.9 | 139.5 | -70 | 169.8 | 0 | 0 | 0 | 121.2 | ||||
| 690 | S | 33.9 | Very low | 32.3 | Very low | 86 Ų | 86 | 119.6 Ų | 119.6 | 60% | 0.601 | 69% | 0.692 | S | S | * | * | cis | -175.5 | -174.7 | -15.9 | -154.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 691 | T | 33.4 | Very low | 32.4 | Very low | 120 Ų | 120 | 118.7 Ų | 118.7 | 74% | 0.736 | 69% | 0.691 | S | S | * | * | trans | 71.4 | 152.1 | 148.2 | 44.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 692 | E | 34.2 | Very low | 32.5 | Very low | 165 Ų | 165 | 121.3 Ų | 121.3 | 77% | 0.771 | 70% | 0.699 | S | S | * | * | cis | -149.9 | 175.1 | 3.4 | -101.6 | -113.9 | 143.6 | 0 | 0 | 114.4 | ||||
| 693 | L | 33.2 | Very low | 32.4 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 59% | 0.592 | 70% | 0.7 | S | S | * | * | trans | -51.6 | 167.6 | -172.3 | -72.8 | 82.3 | 0 | 0 | 0 | 119.9 | I695 | L693-I695 HydrophobicContact CD2-CD1 3.68Å; L693-I695 HydrophobicContact CD2-CG1 4.34Å | ||
| 694 | S | 33.6 | Very low | 32.7 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | 168.4 | 166.1 | 84.3 | 45.5 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 695 | I | 31.3 | Very low | 32.8 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 66% | 0.656 | 71% | 0.706 | S | S | * | * | cis | -165.4 | 134.7 | -42.3 | -138 | 169.3 | 0 | 0 | 0 | 113.2 | L693 | L693-I695 HydrophobicContact CD2-CD1 3.68Å; L693-I695 HydrophobicContact CD2-CG1 4.34Å | ||
| 696 | S | 29.4 | Very low | 32.8 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | trans | 68.1 | 164.5 | 150.2 | 85.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 697 | C | 27.8 | Very low | 32.9 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | cis | -172 | 150.5 | -28 | -101.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 698 | T | 29.9 | Very low | 33 | Very low | 129 Ų | 129 | 117.1 Ų | 117.1 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | 73.2 | 141.6 | 139.6 | 52.4 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 699 | P | 45.3 | Very low | 33.1 | Very low | 115 Ų | 115 | 117.6 Ų | 117.6 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | trans | -104.4 | -140.9 | 155.4 | 34.3 | -16.4 | 0 | 0 | 0 | 110.3 | ||||
| 700 | P | 35.6 | Very low | 32.9 | Very low | 107 Ų | 107 | 116.7 Ų | 116.7 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | cis | -145 | -168.2 | -8.6 | 41.8 | -19.8 | 0 | 0 | 0 | 118.3 | ||||
| 701 | S | 29.9 | Very low | 32.7 | Very low | 98 Ų | 98 | 117.7 Ų | 117.7 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | trans | 90.3 | 173.3 | 137.8 | 77.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 702 | T | 32.4 | Very low | 32.5 | Very low | 126 Ų | 126 | 117 Ų | 117 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | 82.9 | 155.2 | 168.8 | 71.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 703 | C | 28.1 | Very low | 32.4 | Very low | 110 Ų | 110 | 115.7 Ų | 115.7 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | cis | -164.9 | -159.8 | -27.3 | -92.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 704 | T | 34.2 | Very low | 32.1 | Very low | 118 Ų | 118 | 117.4 Ų | 117.4 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | cis | -167.8 | 171.7 | 7.9 | -19.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 705 | T | 32.2 | Very low | 31.8 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | 67.2 | 149.1 | 149.7 | 46.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 706 | S | 31.3 | Very low | 31.7 | Very low | 95 Ų | 95 | 119.4 Ų | 119.4 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | cis | -169.4 | 160.2 | -9.1 | 48.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 707 | T | 35.6 | Very low | 31.7 | Very low | 139 Ų | 139 | 120.4 Ų | 120.4 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | 75.9 | 158.5 | 169.6 | 70.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 708 | G | 35 | Very low | 31.9 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | cis | 143.1 | 163 | -3.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 709 | M | 34 | Very low | 31.9 | Very low | 154 Ų | 154 | 118.9 Ų | 118.9 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | cis | -162.6 | 159.1 | -6.5 | -63.1 | -174.2 | 62.4 | 0 | 0 | 111.8 | ||||
| 710 | N | 30.2 | Very low | 31.2 | Very low | 124 Ų | 124 | 120 Ų | 120 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | trans | 65 | 159.8 | 148.5 | -70.5 | 19.4 | 0 | 0 | 0 | 122.5 | ||||
| 711 | T | 31 | Very low | 30.7 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | cis | -166.9 | 116.4 | -32.4 | 35.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 712 | S | 29.2 | Very low | 30.8 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | 61.5 | 145.3 | 128.5 | 71.9 | 0 | 0 | 0 | 0 | 128 | |||||
| 713 | V | 30.9 | Very low | 30.5 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | trans | 112.2 | 131.2 | 146.7 | -173.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 714 | N | 27 | Very low | 30.5 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -81.2 | 164.6 | 175.8 | -71.5 | -29.7 | 0 | 0 | 0 | 113.6 | ||||
| 715 | I | 28.4 | Very low | 30.3 | Very low | 166 Ų | 166 | 123.9 Ų | 123.9 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | -169.7 | 159.1 | 117.4 | -98.5 | 158.5 | 0 | 0 | 0 | 112.1 | |||||
| 716 | T | 27.9 | Very low | 30.1 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -67.5 | 163.1 | -163.5 | 49.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 717 | S | 30.4 | Very low | 30 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | 99.3 | 150.4 | 141.6 | 81.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 718 | G | 31.2 | Very low | 29.8 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | 135.5 | 93.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 719 | V | 31 | Very low | 29.6 | Very low | 129 Ų | 129 | 130 Ų | 130 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | trans | -40.9 | 135.9 | 168.6 | -90.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 720 | N | 29.2 | Very low | 29.4 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 55.1 | 149.8 | 132.7 | -61 | -1.8 | 0 | 0 | 0 | 123.4 | ||||
| 721 | T | 26.4 | Very low | 29.6 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 83.7 | 141.6 | 140.4 | 27.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 722 | V | 30.2 | Very low | 29.7 | Very low | 121 Ų | 121 | 127 Ų | 127 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 80.8 | 84.2 | 152.4 | 174.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 723 | E | 26 | Very low | 29.8 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | 79.8 | 166.4 | 108.1 | -135.7 | 176.8 | -131.3 | 0 | 0 | 122.2 | |||||
| 724 | M | 29.6 | Very low | 30 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | trans | 75.2 | 93.5 | 159.2 | -64.2 | -63.9 | 162.8 | 0 | 0 | 121.1 | ||||
| 725 | S | 28.9 | Very low | 30.1 | Very low | 91 Ų | 91 | 127 Ų | 127 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | 90.6 | 109.5 | 112.3 | -66.4 | 0 | 0 | 0 | 0 | 123 | |||||
| 726 | S | 29 | Very low | 30.2 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | 80.7 | 114.3 | 113 | -58.6 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 727 | N | 28.5 | Very low | 30.3 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | 51.9 | 120.9 | 122.9 | -57.7 | -28.6 | 0 | 0 | 0 | 121 | |||||
| 728 | R | 32 | Very low | 30.3 | Very low | 230 Ų | 230 | 131.6 Ų | 131.6 | 87% | 0.868 | 74% | 0.74 | S | S | * | * | -177.9 | 120.2 | 107.2 | -95.9 | 161.6 | -176.7 | -160.2 | -0.4 | 110 | |||||
| 729 | S | 31 | Very low | 30.3 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | 68.2 | 141.5 | 87 | 88 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 730 | N | 30.3 | Very low | 30.1 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | cis | -169.9 | 160.3 | 46.1 | -136.4 | -3.1 | 0 | 0 | 0 | 113.6 | ||||
| 731 | A | 34.2 | Very low | 30 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | trans | 63.2 | 154.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 732 | S | 32.9 | Very low | 30 | Very low | 91 Ų | 91 | 131.9 Ų | 131.9 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | cis | -177.4 | 153.5 | -23.6 | 57 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 733 | N | 30 | Very low | 29.8 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | 65.1 | 163.6 | 152.4 | -71.2 | -15.6 | 0 | 0 | 0 | 117.9 | ||||
| 734 | A | 35.3 | Very low | 29.7 | Very low | 90 Ų | 90 | 132.5 Ų | 132.5 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | cis | -174.7 | 171.6 | -20.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 735 | N | 30.7 | Very low | 29.6 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 78% | 0.781 | 72% | 0.721 | S | S | * | * | cis | -174.9 | 160.4 | -35.5 | -171.4 | 2.2 | 0 | 0 | 0 | 107.7 | ||||
| 736 | R | 29 | Very low | 29.5 | Very low | 223 Ų | 223 | 131.8 Ų | 131.8 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | trans | 70.8 | 151.2 | 178.2 | -67.3 | -178.3 | 160.3 | -158.8 | -5 | 117.6 | ||||
| 737 | V | 31 | Very low | 29.3 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 54% | 0.539 | 73% | 0.731 | S | S | . | * | cis | 124.5 | 135.6 | -5.5 | 164 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 738 | K | 29.6 | Very low | 29.2 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | trans | 72.5 | 150.8 | 169.1 | -83.3 | -167.2 | 175.8 | -168.5 | 0 | 117.7 | ||||
| 739 | V | 30.9 | Very low | 29.2 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 66% | 0.655 | 72% | 0.718 | S | S | * | * | cis | -176 | 168.9 | -25.9 | 110.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 740 | D | 28 | Very low | 29.2 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | trans | 68.4 | 116.1 | 162.5 | -76 | -17.5 | 0 | 0 | 0 | 121.6 | ||||
| 741 | N | 25.9 | Very low | 29.2 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 68% | 0.684 | 72% | 0.724 | S | S | * | * | 75.3 | 144.3 | 121.1 | -70.8 | -34.1 | 0 | 0 | 0 | 124.7 | |||||
| 742 | T | 26.3 | Very low | 28.9 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | 73 | 122 | 142.6 | 45.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 743 | L | 26.4 | Very low | 29 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | trans | 70.4 | 123.9 | 136.2 | -94.4 | 71.2 | 0 | 0 | 0 | 121.4 | ||||
| 744 | E | 24 | Very low | 29 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | 74 | 161.9 | 129.3 | -76.7 | 176.3 | -172.8 | 0 | 0 | 122.1 | |||||
| 745 | T | 27.3 | Very low | 28.8 | Very low | 115 Ų | 115 | 132 Ų | 132 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 60.7 | 87.5 | 161 | 46.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 746 | S | 26.3 | Very low | 28.9 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | 47.2 | 157.2 | 101.6 | 68.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 747 | E | 26.7 | Very low | 29 | Very low | 168 Ų | 168 | 125.5 Ų | 125.5 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | trans | 93.5 | 100.6 | 156.1 | -58.2 | -139.9 | 120.3 | 0 | 0 | 119.5 | ||||
| 748 | C | 26.1 | Very low | 29.1 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 58% | 0.581 | 72% | 0.718 | S | S | * | * | 90.1 | 124.8 | 111.8 | -73.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 749 | H | 30.3 | Very low | 29.5 | Very low | 168 Ų | 168 | 124.6 Ų | 124.6 | 78% | 0.778 | 71% | 0.709 | S | S | * | * | trans | 66.2 | 127.7 | 136.8 | -68.2 | 60.3 | 0 | 0 | 0 | 118.5 | ||||
| 750 | G | 31.1 | Very low | 29.6 | Very low | 65 Ų | 65 | 124.5 Ų | 124.5 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | cis | 138.2 | 173.3 | 2.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 751 | K | 30.6 | Very low | 29.9 | Very low | 199 Ų | 199 | 123.8 Ų | 123.8 | 87% | 0.865 | 70% | 0.701 | S | S | * | * | trans | 69.4 | 156.5 | 172.6 | -59.1 | 169 | -176.1 | 171.7 | 0 | 115 | ||||
| 752 | S | 28.8 | Very low | 30.4 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | cis | -170.1 | 148.6 | -22.3 | 175.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 753 | G | 35 | Very low | 30.8 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | trans | -174.5 | 56.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 754 | N | 29.7 | Very low | 31.4 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | 40.8 | 110 | 147.4 | -74.9 | 1.7 | 0 | 0 | 0 | 122.2 | ||||
| 755 | N | 30.5 | Very low | 31.8 | Very low | 126 Ų | 126 | 121.6 Ų | 121.6 | 67% | 0.674 | 68% | 0.684 | S | S | * | * | 84.6 | 144.8 | 112.2 | -60.8 | -10.8 | 0 | 0 | 0 | 122.9 | |||||
| 756 | N | 32.4 | Very low | 32 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | 81 | 139.9 | 150.6 | -69.7 | -4.7 | 0 | 0 | 0 | 119.1 | ||||
| 757 | S | 32.6 | Very low | 32.3 | Very low | 81 Ų | 81 | 126 Ų | 126 | 57% | 0.566 | 68% | 0.681 | S | S | * | * | cis | -172 | 140.8 | -14 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 758 | N | 31.9 | Very low | 32.6 | Very low | 122 Ų | 122 | 124 Ų | 124 | 65% | 0.652 | 68% | 0.676 | S | S | * | * | trans | 65.9 | 157.8 | 152.5 | -67.8 | 6.9 | 0 | 0 | 0 | 117.4 | ||||
| 759 | H | 37.7 | Very low | 33 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 65% | 0.648 | 68% | 0.675 | S | S | * | * | cis | -169.8 | 162.5 | -11.7 | -103.8 | -6.2 | 0 | 0 | 0 | 106.5 | ||||
| 760 | N | 34.9 | Very low | 33.3 | Very low | 105 Ų | 105 | 122 Ų | 122 | 56% | 0.561 | 67% | 0.671 | S | S | * | * | cis | -168.7 | 150.9 | -18.6 | -118.7 | 13 | 0 | 0 | 0 | 109 | ||||
| 761 | N | 34.3 | Very low | 33.5 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 60% | 0.599 | 67% | 0.669 | S | S | * | * | trans | 61.6 | 160.4 | 142 | -63 | 2.1 | 0 | 0 | 0 | 120.1 | ||||
| 762 | H | 35.8 | Very low | 33.9 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 68% | 0.681 | 65% | 0.654 | S | S | * | * | cis | -132.8 | 133.7 | -5.5 | -95.8 | -47.6 | 0 | 0 | 0 | 106.4 | ||||
| 763 | T | 34.6 | Very low | 34.2 | Very low | 91 Ų | 91 | 118.7 Ų | 118.7 | 56% | 0.558 | 64% | 0.639 | S | S | * | * | 55.6 | 125.9 | 66.2 | 72.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 764 | H | 39.2 | Very low | 34.4 | Very low | 146 Ų | 146 | 118.9 Ų | 118.9 | 68% | 0.676 | 63% | 0.625 | S | S | * | * | -172.2 | 137.7 | 69.7 | -101.5 | -43.1 | 0 | 0 | 0 | 111.2 | |||||
| 765 | N | 31.3 | Very low | 34.8 | Very low | 106 Ų | 106 | 118.8 Ų | 118.8 | 57% | 0.567 | 63% | 0.625 | S | S | * | * | 71.8 | 143.4 | 91 | -84.7 | 10.9 | 0 | 0 | 0 | 116.3 | |||||
| 766 | R | 32.4 | Very low | 35.1 | Very low | 190 Ų | 190 | 119.3 Ų | 119.3 | 72% | 0.717 | 63% | 0.628 | S | S | * | * | cis | -178.4 | 167.3 | -10.5 | -121.1 | -179.4 | -157.8 | 174.6 | 1.6 | 112 | ||||
| 767 | N | 33.4 | Very low | 35.3 | Very low | 121 Ų | 121 | 115.6 Ų | 115.6 | 65% | 0.647 | 63% | 0.626 | S | S | * | * | trans | 70.9 | 151.8 | 145.4 | -71.8 | 18 | 0 | 0 | 0 | 119.4 | ||||
| 768 | N | 33.1 | Very low | 35.5 | Very low | 127 Ų | 127 | 117.7 Ų | 117.7 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | cis | -162.3 | 153.2 | -6.6 | -128.2 | 24.6 | 0 | 0 | 0 | 115.4 | ||||
| 769 | S | 34.5 | Very low | 35.8 | Very low | 80 Ų | 80 | 121.6 Ų | 121.6 | 56% | 0.559 | 64% | 0.636 | S | S | * | * | trans | 69 | 118.5 | 133.4 | -77.9 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 770 | N | 35.7 | Very low | 35.7 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 70% | 0.695 | 64% | 0.635 | S | S | * | * | 110.5 | 116.4 | 109 | -76.5 | 23.7 | 0 | 0 | 0 | 123.6 | |||||
| 771 | N | 36.2 | Very low | 35.8 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | 101.6 | 110.6 | 119.6 | -72.2 | 21.3 | 0 | 0 | 0 | 124.8 | |||||
| 772 | N | 37.1 | Very low | 35.8 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 56% | 0.556 | 65% | 0.646 | S | S | * | * | 104.7 | 123.1 | 114.1 | -71.8 | 15.5 | 0 | 0 | 0 | 124.9 | P1043 | N772-P1043 VanDerWaalsContact O-CB 3.3Å; N772-P1043 WeakPolarHBondContact O-CB 3.43Å | |||
| 773 | N | 37 | Very low | 36 | Very low | 89 Ų | 89 | 122.2 Ų | 122.2 | 48% | 0.476 | 65% | 0.648 | S | S | . | * | 103.4 | 102.1 | 124.4 | -78.8 | 26.5 | 0 | 0 | 0 | 126.6 | P1043 | N773-P1043 CarbonylContact C-O 3.58Š| |||
| 774 | T | 38.2 | Very low | 35.9 | Very low | 77 Ų | 77 | 123.8 Ų | 123.8 | 47% | 0.472 | 65% | 0.653 | S | S | . | * | 82 | 118.9 | 119.3 | 58.5 | 0 | 0 | 0 | 0 | 124.5 | P1043 | T774-P1043 PolarHBondContact N-O 3.28Š| |||
| 775 | N | 37.2 | Very low | 35.9 | Very low | 130 Ų | 130 | 123.2 Ų | 123.2 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | 130.1 | 120 | 101.1 | -97.1 | -19.2 | 0 | 0 | 0 | 120.9 | |||||
| 776 | N | 37.4 | Very low | 36.1 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | trans | 49.3 | 133.2 | 142.7 | -62.6 | -50.3 | 0 | 0 | 0 | 121.5 | ||||
| 777 | G | 37.7 | Very low | 36.3 | Very low | 75 Ų | 75 | 123.9 Ų | 123.9 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | cis | 173.9 | -151 | 6.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 778 | N | 37.1 | Very low | 36.4 | Very low | 126 Ų | 126 | 126 Ų | 126 | 67% | 0.674 | 67% | 0.666 | S | S | * | * | cis | -170.4 | 149 | -7.7 | -142.1 | -53.9 | 0 | 0 | 0 | 110.9 | ||||
| 779 | R | 37.1 | Very low | 36.4 | Very low | 203 Ų | 203 | 132.2 Ų | 132.2 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | trans | 62.4 | 148.2 | 165.4 | -76.2 | 169.6 | -176 | -126 | 7.8 | 120.2 | ||||
| 780 | E | 35.5 | Very low | 36.4 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 62% | 0.621 | 68% | 0.68 | S | S | * | * | cis | -152.1 | 132.1 | 5.4 | -139.5 | 145.2 | -139.4 | 0 | 0 | 114 | ||||
| 781 | V | 36.3 | Very low | 36.4 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 78% | 0.782 | 68% | 0.676 | S | S | * | * | trans | 56.6 | 131.5 | 136.4 | 169.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 782 | S | 36.2 | Very low | 36.3 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 61% | 0.608 | 68% | 0.678 | S | S | * | * | cis | -172.8 | 141.6 | -5.8 | -98.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 783 | K | 38.1 | Very low | 36.6 | Very low | 168 Ų | 168 | 127.9 Ų | 127.9 | 73% | 0.73 | 66% | 0.658 | S | S | * | * | trans | 68.9 | 148.6 | 136.7 | -63.8 | -174.3 | 152.3 | -66.5 | 0 | 122.4 | ||||
| 784 | D | 34.5 | Very low | 36.6 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 66% | 0.663 | 65% | 0.653 | S | S | * | * | cis | -159.1 | 175.4 | -9.1 | -95.7 | -23 | 0 | 0 | 0 | 112.3 | ||||
| 785 | T | 37.2 | Very low | 36.8 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | trans | -142.1 | -165.2 | -172 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 786 | H | 36.8 | Very low | 36.9 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 60% | 0.602 | 66% | 0.661 | S | S | * | * | cis | -177.7 | 160.5 | 26.9 | -156.4 | 24.6 | 0 | 0 | 0 | 115.8 | ||||
| 787 | R | 35.6 | Very low | 37.3 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 68% | 0.679 | 66% | 0.661 | S | S | * | * | trans | 70 | 174.8 | 161 | -64.5 | 173.4 | -169.7 | -168.8 | 3.8 | 121.5 | ||||
| 788 | H | 35.3 | Very low | 38.7 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | -168.4 | 156.4 | -71.5 | -83.6 | -20.5 | 0 | 0 | 0 | 117.5 | |||||
| 789 | R | 34 | Very low | 39.7 | Very low | 256 Ų | 256 | 125 Ų | 125 | 97% | 0.966 | 62% | 0.617 | S | S | * | * | trans | 81.8 | 176 | 156 | -80.2 | -177.1 | 172.7 | -170.8 | -0.8 | 123.1 | ||||
| 790 | S | 34.6 | Very low | 40.7 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 56% | 0.559 | 60% | 0.604 | S | S | * | * | trans | -157.5 | 179.1 | -164.3 | -163.6 | 0 | 0 | 0 | 0 | 113 | V829 T830 | S790-V829 WeakPolarHBondContact OG-CB 3.4Å; S790-V829 VanDerWaalsContact OG-CG1 3.3Å; S790-V829 WeakPolarHBondContact OG-CG1 3.24Å; S790-T830 WeakPolarHBondContact OG-CG2 3.25Å | ||
| 791 | G | 35 | Very low | 41.8 | Very low | 59 Ų | 59 | 116.8 Ų | 116.8 | 61% | 0.608 | 60% | 0.597 | S | S | * | * | cis | 174.9 | -156.9 | 15.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 792 | R | 35.2 | Very low | 42.9 | Very low | 177 Ų | 177 | 117.6 Ų | 117.6 | 67% | 0.668 | 59% | 0.586 | S | S | * | * | trans | 118.9 | 105.9 | 155.2 | -158.8 | 171 | -167.8 | 178 | 6.5 | 123.7 | T828 | R792-T828 HydrophobicContact CB-CG2 3.9Å; R792-T828 HydrophobicContact CG-CG2 3.77Å | ||
| 793 | T | 44 | Very low | 44.2 | Very low | 24 Ų | 24 | 117.9 Ų | 117.9 | 15% | 0.147 | 58% | 0.578 | C | S | . | * | trans | 89 | 114.2 | 137.6 | 61.7 | 0 | 0 | 0 | 0 | 127.2 | R825 S826 D827 | T793-R825 HydrophobicContact CG2-CB 4.45Å; T793-R825 VanDerWaalsContact O-CZ 3.25Å; T793-R825 PolarHBondContact O-NE 2.76Å; T793-R825 PolarHBondContact O-NH2 3.14Å; T793-R825 WeakPolarHBondContact OG1-CD 3.17Å; T793-R825 PolarHBondContact OG1-NE 2.82Å; T793-R825 PolarHBondContact OG1-NH1 2.64Å; T793-R825 PolarHBondContact OG1-NH2 2.84Å; T793-S826 WeakPolarHBondContact CA-O 3.43Å; T793-S826 WeakPolarHBondContact CB-O 3.21Å; T793-S826 WeakPolarHBondContact CG2-O 3.47Å; T793-D827 VanDerWaalsContact CA-CG 3.49Å; T793-D827 WeakPolarHBondContact CA-OD2 3.11Å; T793-D827 WeakPolarHBondContact CG2-O 3.45Å; T793-D827 PolarHBondContact N-OD2 3.18Å; T793-D827 VanDerWaalsContact N-OD2 3.12Å | ||
| 794 | L | 36.3 | Very low | 45.4 | Very low | 69 Ų | 69 | 116.4 Ų | 116.4 | 36% | 0.361 | 57% | 0.572 | S | S | . | * | trans | -176.8 | 134.5 | 149.2 | -124.4 | 175.3 | 0 | 0 | 0 | 120.8 | R823 R825 D827 | L794-R823 HydrophobicContact CD1-CG 4.2Å; L794-R823 HydrophobicContact CD2-CG 3.77Å; L794-R823 HydrophobicContact CG-CG 4.31Å; L794-R825 HydrophobicContact CG-CG 4.46Å; L794-D827 PolarHBondContact N-OD1 3.04Å; L794-D827 PolarHBondContact N-OD2 3.48Å | ||
| 795 | R | 42.9 | Very low | 46.7 | Very low | 160 Ų | 160 | 114.3 Ų | 114.3 | 60% | 0.604 | 56% | 0.558 | S | S | * | * | trans | -102.7 | 160.4 | -172.5 | -159.6 | 178.6 | -170.3 | 163.8 | -1.1 | 118.7 | S824 R825 S826 | R795-S824 WeakPolarHBondContact CB-O 3.36Å; R795-S824 PolarHBondContact N-O 3Å; R795-S824 VanDerWaalsContact N-O 3.15Å; R795-R825 PolarHBondContact NH1-O 2.76Å; R795-S826 WeakPolarHBondContact CB-OG 3.34Å; R795-S826 VanDerWaalsContact CD-OG 3.29Å; R795-S826 WeakPolarHBondContact CD-OG 3.36Å; R795-S826 VanDerWaalsContact CG-OG 3.23Å; R795-S826 WeakPolarHBondContact CG-OG 3.42Å | ||
| 796 | S | 38.9 | Very low | 47.8 | Very low | 106 Ų | 106 | 113.8 Ų | 113.8 | 74% | 0.741 | 55% | 0.546 | S | S | * | . | trans | -166.3 | 134.7 | 162 | 60.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 797 | H | 44.4 | Very low | 49 | Very low | 157 Ų | 157 | 114.8 Ų | 114.8 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | trans | 31.3 | 152.3 | 154.4 | -67.7 | -89.5 | 0 | 0 | 0 | 126.5 | Q801 | H797-Q801 PolarHBondContact ND1-OE1 3.08Š| ||
| 798 | T | 67.8 | Low | 49.9 | Very low | 76 Ų | 76 | 112.4 Ų | 112.4 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | trans | -112.3 | 147.3 | -174.5 | -46.9 | 0 | 0 | 0 | 0 | 113.4 | P537 A800 Q801 | P537-T798 HydrophobicContact CG-CG2 3.61Å; T798-A800 PolarHBondContact O-N 3.22Å; T798-Q801 WeakPolarHBondContact O-CB 3.35Å; T798-Q801 PolarHBondContact O-N 3Å | ||
| 799 | A | 58.3 | Low | 50.2 | Low | 7 Ų | 7 | 111.6 Ų | 111.6 | 6% | 0.058 | 54% | 0.536 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -14.3 | -165 | 0 | 0 | 0 | 0 | 0 | 117.6 | K534 P536 Q801 R802 E803 | K534-A799 HydrophobicContact CG-CB 4.48Å; P536-A799 HydrophobicContact CB-CB 4.13Å; P536-A799 HydrophobicContact CG-CB 4.01Å; A799-Q801 PolarHBondContact O-N 3.42Å; A799-Q801 VanDerWaalsContact O-N 3.15Å; A799-R802 HydrophobicContact CB-CG 4.47Å; A799-R802 WeakPolarHBondContact O-CA 3.4Å; A799-R802 VanDerWaalsContact O-CB 3.29Å; A799-R802 WeakPolarHBondContact O-CB 3.4Å; A799-R802 PolarHBondContact O-N 3.49Å; A799-E803 PolarHBondContact O-N 3.48Å |
| 800 | A | 57.2 | Low | 51.1 | Low | 61 Ų | 61 | 108 Ų | 108 | 50% | 0.504 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.9 | -18.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P536 T798 | P536-A800 HydrophobicContact CB-CB 3.81Å; P536-A800 VanDerWaalsContact CB-N 3.33Å; P536-A800 HydrophobicContact CG-CB 4.02Å; T798-A800 PolarHBondContact O-N 3.22Å |
| 801 | Q | 60.4 | Low | 51.7 | Low | 102 Ų | 102 | 109.4 Ų | 109.4 | 48% | 0.477 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -84.8 | -19.5 | 172.2 | -158.6 | 163.2 | -1 | 0 | 0 | 112.3 | H797 T798 A799 E805 | H797-Q801 PolarHBondContact ND1-OE1 3.08Å; T798-Q801 WeakPolarHBondContact O-CB 3.35Å; T798-Q801 PolarHBondContact O-N 3Å; A799-Q801 PolarHBondContact O-N 3.42Å; A799-Q801 VanDerWaalsContact O-N 3.15Å; Q801-E805 PolarHBondContact O-N 3.46Å |
| 802 | R | 59 | Low | 51.8 | Low | 146 Ų | 146 | 113.9 Ų | 113.9 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.5 | -51.5 | 169.6 | -67.3 | -179.7 | 176.8 | -175.7 | -4.2 | 110.6 | A799 K804 E805 E806 | A799-R802 HydrophobicContact CB-CG 4.47Å; A799-R802 WeakPolarHBondContact O-CA 3.4Å; A799-R802 VanDerWaalsContact O-CB 3.29Å; A799-R802 WeakPolarHBondContact O-CB 3.4Å; A799-R802 PolarHBondContact O-N 3.49Å; R802-K804 PolarHBondContact O-N 3.32Å; R802-E805 CarbonylContact O-C 3.17Å; R802-E805 PolarHBondContact O-N 3.25Å; R802-E806 VanDerWaalsContact O-CB 3.26Å; R802-E806 WeakPolarHBondContact O-CB 3.26Å; R802-E806 PolarHBondContact O-N 3.08Å |
| 803 | E | 63.2 | Low | 51.7 | Low | 92 Ų | 92 | 113.2 Ų | 113.2 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -57.8 | -28.1 | -179.5 | -158.8 | -153.2 | 134 | 0 | 0 | 112.6 | A799 K807 | A799-E803 PolarHBondContact O-N 3.48Å; E803-K807 IonicContact OE1-NZ 2.88Å; E803-K807 PolarHBondContact OE1-NZ 2.68Å |
| 804 | K | 63.5 | Low | 51.1 | Low | 138 Ų | 138 | 115.4 Ų | 115.4 | 60% | 0.6 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.7 | -49.9 | 172.5 | -169.6 | -176.8 | 175.5 | -170.6 | 0 | 112.5 | R802 E806 K807 E808 | R802-K804 PolarHBondContact O-N 3.32Å; K804-E806 VanDerWaalsContact C-N 3.26Å; K804-E806 PolarHBondContact O-N 3.04Å; K804-K807 PolarHBondContact O-N 3.5Å; K804-E808 PolarHBondContact O-N 2.94Å |
| 805 | E | 60.9 | Low | 51.1 | Low | 79 Ų | 79 | 118.7 Ų | 118.7 | 37% | 0.369 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.7 | -25.2 | 177.5 | -81.6 | -170.2 | -142.4 | 0 | 0 | 113.7 | Q801 R802 E808 R809 | Q801-E805 PolarHBondContact O-N 3.46Å; R802-E805 CarbonylContact O-C 3.17Å; R802-E805 PolarHBondContact O-N 3.25Å; E805-E808 PolarHBondContact O-N 3.21Å; E805-R809 IonicContact OE2-CZ 3.61Å; E805-R809 VanDerWaalsContact OE2-CZ 3.28Å; E805-R809 IonicContact OE2-NH1 2.63Å; E805-R809 PolarHBondContact OE2-NH1 3.04Å; E805-R809 IonicContact OE2-NH2 3.17Å; E805-R809 PolarHBondContact OE2-NH2 3.32Å |
| 806 | E | 60.4 | Low | 50.6 | Low | 124 Ų | 124 | 116.1 Ų | 116.1 | 58% | 0.579 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.1 | -33.4 | 178.7 | -166.1 | 156.9 | -140.4 | 0 | 0 | 111.1 | R802 K804 E808 R809 | R802-E806 VanDerWaalsContact O-CB 3.26Å; R802-E806 WeakPolarHBondContact O-CB 3.26Å; R802-E806 PolarHBondContact O-N 3.08Å; K804-E806 VanDerWaalsContact C-N 3.26Å; K804-E806 PolarHBondContact O-N 3.04Å; E806-E808 VanDerWaalsContact C-N 3.29Å; E806-E808 PolarHBondContact O-N 3.27Å; E806-R809 PolarHBondContact O-N 3.18Å |
| 807 | K | 61.2 | Low | 50.4 | Low | 150 Ų | 150 | 117.6 Ų | 117.6 | 65% | 0.652 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -12.3 | 170.6 | -74.5 | 165.5 | -179.8 | 165.2 | 0 | 114 | E803 K804 | E803-K807 IonicContact OE1-NZ 2.88Å; E803-K807 PolarHBondContact OE1-NZ 2.68Å; K804-K807 PolarHBondContact O-N 3.5Å |
| 808 | E | 56 | Low | 49.8 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 61% | 0.607 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 0.7 | 173.8 | -78.5 | 175.1 | 158.3 | 0 | 0 | 113.2 | K804 E805 E806 | K804-E808 PolarHBondContact O-N 2.94Å; E805-E808 PolarHBondContact O-N 3.21Å; E806-E808 VanDerWaalsContact C-N 3.29Å; E806-E808 PolarHBondContact O-N 3.27Å |
| 809 | R | 41.3 | Very low | 48.5 | Very low | 151 Ų | 151 | 123.5 Ų | 123.5 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -135.1 | 41 | -176.3 | -64.4 | -171.2 | -70.3 | -110.1 | 6.1 | 113.7 | E805 E806 T811 | E805-R809 IonicContact OE2-CZ 3.61Å; E805-R809 VanDerWaalsContact OE2-CZ 3.28Å; E805-R809 IonicContact OE2-NH1 2.63Å; E805-R809 PolarHBondContact OE2-NH1 3.04Å; E805-R809 IonicContact OE2-NH2 3.17Å; E805-R809 PolarHBondContact OE2-NH2 3.32Å; E806-R809 PolarHBondContact O-N 3.18Å; R809-T811 CarbonylContact C-O 3.56Å |
| 810 | H | 53.1 | Low | 47.2 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 83% | 0.833 | 65% | 0.646 | S | S | * | * | trans | -130.7 | 12.5 | 168 | -106.8 | 37.2 | 0 | 0 | 0 | 113.8 | ||||
| 811 | T | 45.8 | Very low | 46.2 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 68% | 0.675 | 64% | 0.635 | S | S | * | * | S | Bend | -76.5 | 147.1 | 128.1 | 47.3 | 0 | 0 | 0 | 0 | 108.1 | R809 | R809-T811 CarbonylContact C-O 3.56Š| |
| 812 | D | 38.4 | Very low | 45 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 71.2 | 122.4 | -175 | -53.7 | -28.4 | 0 | 0 | 0 | 115.2 | ||
| 813 | D | 32.5 | Very low | 43.7 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 87% | 0.872 | 64% | 0.639 | S | S | * | * | trans | -75.7 | 166 | -174.2 | -130.7 | -41.2 | 0 | 0 | 0 | 112.6 | ||||
| 814 | A | 32.6 | Very low | 42.3 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 59% | 0.587 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 56.9 | 116.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 815 | T | 34.4 | Very low | 40.7 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 85% | 0.847 | 64% | 0.639 | S | S | * | * | trans | 74.9 | 153.6 | 139.2 | 65.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 816 | P | 33.8 | Very low | 39.8 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 69% | 0.688 | 64% | 0.639 | S | S | * | * | trans | -127.3 | 169.6 | -136.8 | 44.4 | -32.9 | 0 | 0 | 0 | 117 | ||||
| 817 | I | 34.7 | Very low | 39.1 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 70% | 0.697 | 63% | 0.633 | S | S | * | * | trans | 66.8 | 101.2 | 150.3 | -68.8 | 153.9 | 0 | 0 | 0 | 116.8 | ||||
| 818 | K | 31.9 | Very low | 38.3 | Very low | 183 Ų | 183 | 124.6 Ų | 124.6 | 80% | 0.796 | 63% | 0.627 | S | S | * | * | 175.4 | 126 | 114 | -95.1 | 139 | -166.2 | 158.7 | 0 | 111.2 | |||||
| 819 | K | 39.2 | Very low | 37.8 | Very low | 174 Ų | 174 | 122 Ų | 122 | 76% | 0.757 | 62% | 0.62 | S | S | * | * | 167.7 | 133.8 | 111.2 | -81.3 | -155.3 | 175.1 | 173.1 | 0 | 113.4 | M559 | M559-K819 HydrophobicContact CG-CB 4.35Å; M559-K819 HydrophobicContact CG-CD 4.48Å; M559-K819 WeakPolarHBondContact SD-CA 3.39Å; M559-K819 HydrophobicContact SD-CB 3.3Å; M559-K819 WeakPolarHBondContact SD-CB 3.47Å; M559-K819 HydrophobicContact SD-CD 3.55Å; M559-K819 VanDerWaalsContact SD-CD 3.55Å; M559-K819 HydrophobicContact SD-CG 3.27Å; M559-K819 WeakPolarHBondContact SD-CG 3.36Å | |||
| 820 | R | 30.9 | Very low | 38.2 | Very low | 175 Ų | 175 | 119.2 Ų | 119.2 | 66% | 0.66 | 62% | 0.62 | S | S | * | * | trans | -67 | 174.1 | 177.1 | -146.8 | 168.9 | 179.8 | 162.4 | -3.9 | 109.3 | C558 M559 | C558-R820 VanDerWaalsContact CA-O 3.29Å; C558-R820 WeakPolarHBondContact CA-O 2.85Å; M559-R820 HydrophobicContact CE-CB 3.97Å; M559-R820 HydrophobicContact CG-CB 3.8Å; M559-R820 VanDerWaalsContact CG-O 3.28Å; M559-R820 WeakPolarHBondContact CG-O 3.14Å; M559-R820 HydrophobicContact SD-CB 3.83Å; M559-R820 PolarHBondContact SD-N 3.06Å | ||
| 821 | K | 37.4 | Very low | 38.1 | Very low | 62 Ų | 62 | 117.6 Ų | 117.6 | 27% | 0.27 | 62% | 0.617 | S | S | . | * | 170.2 | 169.7 | 53.6 | -167.6 | 168 | -174.7 | 163.6 | 0 | 110.1 | M559 S560 | M559-K821 HydrophobicContact CG-CB 4.26Å; S560-K821 WeakPolarHBondContact OG-CD 3.41Å; S560-K821 PolarHBondContact OG-NZ 2.97Å | |||
| 822 | L | 34.6 | Very low | 37.5 | Very low | 101 Ų | 101 | 120 Ų | 120 | 53% | 0.529 | 62% | 0.62 | S | S | . | * | trans | 97.4 | 138.3 | 162.3 | -56.2 | 170.4 | 0 | 0 | 0 | 116.3 | ||||
| 823 | R | 31.5 | Very low | 38.2 | Very low | 155 Ų | 155 | 120.1 Ų | 120.1 | 59% | 0.585 | 62% | 0.616 | S | S | * | * | cis | -168.7 | 129.5 | -29.6 | -140.4 | -177 | -173.6 | 131.6 | -6.2 | 111.5 | L794 | L794-R823 HydrophobicContact CD1-CG 4.2Å; L794-R823 HydrophobicContact CD2-CG 3.77Å; L794-R823 HydrophobicContact CG-CG 4.31Å | ||
| 824 | S | 33.1 | Very low | 38.9 | Very low | 78 Ų | 78 | 116.6 Ų | 116.6 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | trans | -170.9 | 169.1 | 148.6 | -166.2 | 0 | 0 | 0 | 0 | 110.3 | R795 | R795-S824 WeakPolarHBondContact CB-O 3.36Å; R795-S824 PolarHBondContact N-O 3Å; R795-S824 VanDerWaalsContact N-O 3.15Å | ||
| 825 | R | 31.6 | Very low | 39.5 | Very low | 127 Ų | 127 | 119.4 Ų | 119.4 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | trans | -127.4 | 161.5 | -160.7 | -70.6 | 167.2 | 154.2 | -169.6 | -22.2 | 112.1 | T793 L794 R795 | T793-R825 HydrophobicContact CG2-CB 4.45Å; T793-R825 VanDerWaalsContact O-CZ 3.25Å; T793-R825 PolarHBondContact O-NE 2.76Å; T793-R825 PolarHBondContact O-NH2 3.14Å; T793-R825 WeakPolarHBondContact OG1-CD 3.17Å; T793-R825 PolarHBondContact OG1-NE 2.82Å; T793-R825 PolarHBondContact OG1-NH1 2.64Å; T793-R825 PolarHBondContact OG1-NH2 2.84Å; L794-R825 HydrophobicContact CG-CG 4.46Å; R795-R825 PolarHBondContact NH1-O 2.76Å | ||
| 826 | S | 41.2 | Very low | 39.7 | Very low | 54 Ų | 54 | 117.8 Ų | 117.8 | 38% | 0.378 | 60% | 0.596 | S | S | . | * | cis | 84.2 | 134.6 | -22.1 | -53.7 | 0 | 0 | 0 | 0 | 123.5 | T793 R795 | T793-S826 WeakPolarHBondContact CA-O 3.43Å; T793-S826 WeakPolarHBondContact CB-O 3.21Å; T793-S826 WeakPolarHBondContact CG2-O 3.47Å; R795-S826 WeakPolarHBondContact CB-OG 3.34Å; R795-S826 VanDerWaalsContact CD-OG 3.29Å; R795-S826 WeakPolarHBondContact CD-OG 3.36Å; R795-S826 VanDerWaalsContact CG-OG 3.23Å; R795-S826 WeakPolarHBondContact CG-OG 3.42Å | ||
| 827 | D | 46 | Very low | 40 | Very low | 86 Ų | 86 | 120.6 Ų | 120.6 | 46% | 0.46 | 60% | 0.599 | S | S | . | * | trans | 78.8 | 141.7 | 159.1 | 49.6 | -71.7 | 0 | 0 | 0 | 124.6 | T793 L794 | T793-D827 VanDerWaalsContact CA-CG 3.49Å; T793-D827 WeakPolarHBondContact CA-OD2 3.11Å; T793-D827 WeakPolarHBondContact CG2-O 3.45Å; T793-D827 PolarHBondContact N-OD2 3.18Å; T793-D827 VanDerWaalsContact N-OD2 3.12Å; L794-D827 PolarHBondContact N-OD1 3.04Å; L794-D827 PolarHBondContact N-OD2 3.48Å | ||
| 828 | T | 45.1 | Very low | 40.3 | Very low | 84 Ų | 84 | 122.1 Ų | 122.1 | 52% | 0.515 | 60% | 0.603 | S | S | . | * | trans | -157.7 | 106.2 | 147.7 | 34.5 | 0 | 0 | 0 | 0 | 113.3 | R792 | R792-T828 HydrophobicContact CB-CG2 3.9Å; R792-T828 HydrophobicContact CG-CG2 3.77Å | ||
| 829 | V | 44.4 | Very low | 40.6 | Very low | 75 Ų | 75 | 117.8 Ų | 117.8 | 46% | 0.455 | 60% | 0.596 | S | S | . | * | trans | 18.4 | 130.8 | 130.5 | -123.8 | 0 | 0 | 0 | 0 | 117.4 | S790 | S790-V829 WeakPolarHBondContact OG-CB 3.4Å; S790-V829 VanDerWaalsContact OG-CG1 3.3Å; S790-V829 WeakPolarHBondContact OG-CG1 3.24Å | ||
| 830 | T | 50.7 | Low | 40.4 | Very low | 94 Ų | 94 | 120.9 Ų | 120.9 | 58% | 0.577 | 60% | 0.603 | S | S | * | * | cis | -158 | 143.6 | 46.5 | 48.4 | 0 | 0 | 0 | 0 | 115.7 | S790 | S790-T830 WeakPolarHBondContact OG-CG2 3.25Š| ||
| 831 | N | 49.8 | Very low | 40.6 | Very low | 145 Ų | 145 | 118 Ų | 118 | 78% | 0.775 | 61% | 0.61 | S | S | * | * | 34.1 | 160.7 | 125.2 | -45.1 | 19.2 | 0 | 0 | 0 | 122 | |||||
| 832 | H | 33.4 | Very low | 40.5 | Very low | 161 Ų | 161 | 119 Ų | 119 | 75% | 0.745 | 64% | 0.637 | S | S | * | * | cis | 178.2 | -173.9 | -30.1 | -166.7 | -101.7 | 0 | 0 | 0 | 107.6 | ||||
| 833 | E | 52.7 | Low | 40.5 | Very low | 154 Ų | 154 | 120.2 Ų | 120.2 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | trans | 81.4 | 143.9 | 160.2 | -61.9 | -166.2 | -148.7 | 0 | 0 | 118.7 | ||||
| 834 | N | 47.1 | Very low | 40.7 | Very low | 90 Ų | 90 | 116 Ų | 116 | 48% | 0.481 | 66% | 0.659 | S | S | . | * | cis | -167.5 | 156.1 | -8.3 | -119.1 | -26.7 | 0 | 0 | 0 | 115.3 | ||||
| 835 | I | 46.2 | Very low | 40.7 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 67% | 0.667 | 68% | 0.676 | S | S | * | * | trans | 83.3 | 101.1 | 144 | -69 | 165.1 | 0 | 0 | 0 | 122.1 | ||||
| 836 | S | 39.1 | Very low | 40.8 | Very low | 104 Ų | 104 | 117.6 Ų | 117.6 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | 76.7 | 168.6 | 119.6 | -53.4 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 837 | Q | 40.2 | Very low | 40.5 | Very low | 165 Ų | 165 | 121.1 Ų | 121.1 | 77% | 0.771 | 70% | 0.704 | S | S | * | * | trans | -112.3 | 147.6 | -159 | -65.5 | 178.6 | -7 | 0 | 0 | 116.7 | ||||
| 838 | Q | 41.2 | Very low | 39.9 | Very low | 167 Ų | 167 | 123.7 Ų | 123.7 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | trans | 53.8 | 145.6 | 139.6 | -58.8 | 177.7 | 26.1 | 0 | 0 | 120.8 | ||||
| 839 | S | 37.1 | Very low | 39.4 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | 179.9 | 145.8 | 62.3 | -58.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 840 | R | 34.9 | Very low | 39 | Very low | 239 Ų | 239 | 126 Ų | 126 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | trans | 62.8 | 156 | 140.8 | -70.9 | 175.7 | 178.7 | -179.5 | -0.5 | 120.7 | ||||
| 841 | S | 34.8 | Very low | 38.4 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | cis | -177.3 | 149.4 | -10.4 | 50.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 842 | G | 35.7 | Very low | 37.8 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | 102.6 | 159.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 843 | S | 35.4 | Very low | 37.6 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | cis | -173.2 | 136 | -6.2 | 179.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 844 | G | 35.9 | Very low | 37.1 | Very low | 67 Ų | 67 | 123.3 Ų | 123.3 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | trans | 90.1 | 162.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 845 | I | 31.4 | Very low | 36.3 | Very low | 173 Ų | 173 | 126.1 Ų | 126.1 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | cis | -160.8 | 138.6 | -6.8 | -96.2 | 155 | 0 | 0 | 0 | 111.7 | ||||
| 846 | G | 35.3 | Very low | 35.6 | Very low | 65 Ų | 65 | 125.8 Ų | 125.8 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | trans | 81.8 | 156.4 | 146.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 847 | T | 33.3 | Very low | 35.1 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | cis | -170.9 | 135.9 | -9.5 | 20.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 848 | V | 34.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | trans | 66.8 | 145.8 | 139.8 | 172.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 849 | N | 35 | Very low | 34 | Very low | 147 Ų | 147 | 124.4 Ų | 124.4 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | cis | -176.1 | -167.7 | -25.7 | -157.4 | 14.9 | 0 | 0 | 0 | 106.3 | ||||
| 850 | A | 36.3 | Very low | 33.7 | Very low | 61 Ų | 61 | 124.8 Ų | 124.8 | 50% | 0.504 | 77% | 0.769 | S | S | . | * | cis | -168.8 | 169.1 | 4.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 851 | N | 37 | Very low | 33.5 | Very low | 133 Ų | 133 | 116.8 Ų | 116.8 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 79.2 | 110.1 | 138 | -67.9 | -3.9 | 0 | 0 | 0 | 126 | ||||
| 852 | N | 36.5 | Very low | 33.3 | Very low | 146 Ų | 146 | 117 Ų | 117 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | 103.5 | 136.9 | 119.1 | -64.9 | -3.3 | 0 | 0 | 0 | 123.9 | |||||
| 853 | S | 30.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 117.4 Ų | 117.4 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -113.4 | -152.5 | 174.6 | -40.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 854 | P | 41.4 | Very low | 32.9 | Very low | 103 Ų | 103 | 116.9 Ų | 116.9 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | cis | -141.6 | -175.1 | -7.2 | 42.9 | -23.5 | 0 | 0 | 0 | 117.2 | ||||
| 855 | I | 30 | Very low | 32.6 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | 67.5 | 127.1 | 148.9 | -75.9 | 157.6 | 0 | 0 | 0 | 117.8 | ||||
| 856 | T | 32.8 | Very low | 32.7 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | -172.1 | 132.5 | 76 | -42.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 857 | T | 28.7 | Very low | 32.6 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | trans | 15.8 | 145.6 | 145.2 | -23.2 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 858 | V | 27.8 | Very low | 32.6 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | 80.8 | 140.2 | 148.3 | -92.2 | 0 | 0 | 0 | 0 | 127 | ||||
| 859 | H | 29 | Very low | 32.6 | Very low | 171 Ų | 171 | 119 Ų | 119 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | trans | 93.1 | 98.5 | 140.7 | -91 | -64.8 | 0 | 0 | 0 | 124.3 | ||||
| 860 | A | 30.3 | Very low | 32.5 | Very low | 100 Ų | 100 | 115.4 Ų | 115.4 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | 59.8 | 138.7 | 121.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 861 | G | 31.7 | Very low | 32.4 | Very low | 70 Ų | 70 | 117.6 Ų | 117.6 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | 141.7 | 115.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 862 | S | 31.1 | Very low | 32.2 | Very low | 120 Ų | 120 | 116.6 Ų | 116.6 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | 68.8 | 125.3 | 72.6 | -165.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 863 | S | 30.9 | Very low | 32.1 | Very low | 91 Ų | 91 | 117.7 Ų | 117.7 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -170.3 | 168.4 | 2.6 | 29.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 864 | T | 30.4 | Very low | 32.2 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | 62.9 | 143.8 | 158.5 | 48.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 865 | E | 30.3 | Very low | 31.7 | Very low | 177 Ų | 177 | 117.3 Ų | 117.3 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | cis | -156.8 | 174 | 4 | -126.1 | 154.8 | -140.1 | 0 | 0 | 113.9 | ||||
| 866 | S | 33.4 | Very low | 31.7 | Very low | 97 Ų | 97 | 112.6 Ų | 112.6 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | trans | -60.4 | 156.2 | -175.1 | 43.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 867 | S | 33.7 | Very low | 31.5 | Very low | 111 Ų | 111 | 111.6 Ų | 111.6 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | cis | 82.4 | 151.7 | 24.4 | 89.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 868 | N | 32.6 | Very low | 31.7 | Very low | 129 Ų | 129 | 113.3 Ų | 113.3 | 69% | 0.69 | 71% | 0.713 | S | S | * | * | cis | -163.8 | -175.4 | 9.3 | -157.4 | -3.8 | 0 | 0 | 0 | 114 | ||||
| 869 | V | 34.8 | Very low | 31.8 | Very low | 103 Ų | 103 | 114.6 Ų | 114.6 | 62% | 0.624 | 72% | 0.716 | S | S | * | * | trans | 76.4 | 111.9 | 153 | -64.9 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 870 | S | 32.7 | Very low | 31.9 | Very low | 72 Ų | 72 | 111.1 Ų | 111.1 | 50% | 0.503 | 71% | 0.706 | S | S | . | * | 73.5 | 120.6 | 112.4 | -52.1 | 0 | 0 | 0 | 0 | 127.8 | |||||
| 871 | S | 33.9 | Very low | 32 | Very low | 108 Ų | 108 | 112.5 Ų | 112.5 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | 94.4 | 124 | 116.8 | 69.1 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 872 | S | 34 | Very low | 31.9 | Very low | 111 Ų | 111 | 116.7 Ų | 116.7 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | trans | 93.9 | 146.7 | 131.9 | -66.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 873 | N | 33.9 | Very low | 31.9 | Very low | 169 Ų | 169 | 117.2 Ų | 117.2 | 90% | 0.904 | 69% | 0.693 | S | S | * | * | trans | 85.3 | 160.6 | 164.3 | -67.5 | -1.4 | 0 | 0 | 0 | 119.9 | ||||
| 874 | A | 32.3 | Very low | 32 | Very low | 92 Ų | 92 | 117.2 Ų | 117.2 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | trans | -125.8 | -155.7 | -149.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 875 | V | 30.9 | Very low | 32.3 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | trans | 101.4 | 137.8 | 159.5 | -158.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 876 | A | 30.7 | Very low | 32.5 | Very low | 49 Ų | 49 | 115.8 Ų | 115.8 | 41% | 0.405 | 70% | 0.697 | S | S | . | * | trans | 34.8 | 119.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 124.7 | S156 S157 | S156-A876 WeakPolarHBondContact CA-O 3.17Å; S157-A876 VanDerWaalsContact N-C 3.34Å | ||
| 877 | N | 29.2 | Very low | 32.2 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 55% | 0.545 | 70% | 0.702 | S | S | . | * | 49.6 | 107.9 | 125.7 | -53.5 | 17.2 | 0 | 0 | 0 | 121.3 | S156 S157 I158 | S156-N877 VanDerWaalsContact CB-C 3.47Å; S157-N877 VanDerWaalsContact N-N 3.13Å; S157-N877 PolarHBondContact O-N 2.94Å; S157-N877 PolarHBondContact O-OD1 3.29Å; I158-N877 WeakPolarHBondContact CD1-OD1 3.41Å | |||
| 878 | M | 31.2 | Very low | 31.9 | Very low | 153 Ų | 153 | 118.4 Ų | 118.4 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -167.1 | 145.2 | 138.6 | -126 | 172.2 | 174 | 0 | 0 | 110.2 | S156 | S156-M878 PolarHBondContact OG-O 3.39Š| ||
| 879 | D | 30.5 | Very low | 31.4 | Very low | 148 Ų | 148 | 117.4 Ų | 117.4 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | -107.6 | -178.1 | -174.2 | -160.6 | -11.9 | 0 | 0 | 0 | 109.1 | ||||
| 880 | V | 32 | Very low | 31 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 59% | 0.594 | 71% | 0.706 | S | S | * | * | trans | 81 | 101.9 | 145.2 | 147.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 881 | I | 31.6 | Very low | 30.6 | Very low | 129 Ų | 129 | 120.4 Ų | 120.4 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | 110.8 | 138.3 | 118.7 | -79.5 | -175.5 | 0 | 0 | 0 | 123.2 | |||||
| 882 | E | 30.2 | Very low | 30.1 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | trans | 62.7 | 150.1 | 162.3 | -81.5 | 144.3 | -155.7 | 0 | 0 | 119.5 | ||||
| 883 | D | 31.3 | Very low | 29.7 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | cis | -115.9 | 149 | 8 | -89.3 | -62.9 | 0 | 0 | 0 | 113.3 | ||||
| 884 | T | 33.2 | Very low | 29.3 | Very low | 90 Ų | 90 | 117.1 Ų | 117.1 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | 66.4 | 133.9 | 65.3 | -20.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 885 | H | 35.3 | Very low | 29.1 | Very low | 178 Ų | 178 | 121.4 Ų | 121.4 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | cis | -147.7 | 165 | 22.3 | -50.4 | -109.2 | 0 | 0 | 0 | 112.6 | ||||
| 886 | G | 35.9 | Very low | 28.9 | Very low | 85 Ų | 85 | 121.3 Ų | 121.3 | 88% | 0.876 | 71% | 0.71 | S | S | * | * | trans | 160.8 | 80.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 887 | C | 25.4 | Very low | 28.7 | Very low | 117 Ų | 117 | 126 Ų | 126 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -114.2 | 178.9 | 180 | -165.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 888 | L | 27.9 | Very low | 28.6 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | 82.7 | 141.4 | 166 | -54.6 | 177.3 | 0 | 0 | 0 | 117.1 | ||||
| 889 | T | 23.6 | Very low | 28.4 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | cis | 178.5 | 162 | -30.4 | 23.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 890 | V | 25.4 | Very low | 28.2 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | trans | 69.6 | 138.2 | 144.4 | 158 | 0 | 0 | 0 | 0 | 117 | ||||
| 891 | T | 23.4 | Very low | 28.1 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | cis | -170.3 | 171.1 | -5.1 | 29.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 892 | V | 25.2 | Very low | 27.9 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 75% | 0.745 | 74% | 0.738 | S | S | * | * | trans | 80.2 | 97.2 | 140.7 | 158.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 893 | S | 24.3 | Very low | 27.8 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | 81.8 | 137.1 | 116.8 | -51.2 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 894 | S | 25.2 | Very low | 27.6 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | trans | 67.7 | 109.6 | 135.9 | 60.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 895 | Q | 27.7 | Very low | 27.4 | Very low | 181 Ų | 181 | 127.6 Ų | 127.6 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | 38 | 129.8 | 118.2 | -61.3 | 174.2 | -1.1 | 0 | 0 | 120 | |||||
| 896 | S | 27.7 | Very low | 27 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | -169.8 | 145.9 | 106.1 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 897 | D | 26.5 | Very low | 26.6 | Very low | 146 Ų | 146 | 128.9 Ų | 128.9 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | trans | -69.3 | 153.6 | -176 | -52 | -99.3 | 0 | 0 | 0 | 116.9 | ||||
| 898 | S | 27.6 | Very low | 26.6 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | -176.8 | 127.5 | 122 | 26.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 899 | H | 27.4 | Very low | 26.5 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | cis | 77.2 | 155.9 | 32 | -154.9 | 68.6 | 0 | 0 | 0 | 114.9 | ||||
| 900 | M | 25.9 | Very low | 26.9 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 71% | 0.714 | 74% | 0.736 | S | S | * | * | trans | 67.6 | 140.3 | -154.9 | -42.1 | -53.9 | -74.7 | 0 | 0 | 111.3 | ||||
| 901 | G | 29.1 | Very low | 27.2 | Very low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | cis | 128.3 | 149.5 | 19.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 902 | N | 27.4 | Very low | 27.4 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 57% | 0.567 | 74% | 0.735 | S | S | * | * | cis | -161.4 | 155.6 | 16.4 | -116.5 | 25.9 | 0 | 0 | 0 | 109.3 | ||||
| 903 | E | 27.9 | Very low | 27.6 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | trans | 67.4 | 158.1 | 139.5 | -71 | 167.3 | 153.6 | 0 | 0 | 118.8 | ||||
| 904 | E | 27.4 | Very low | 27.5 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 58% | 0.579 | 74% | 0.742 | S | S | * | * | cis | -156.5 | 143.2 | 9.3 | -139 | -178.2 | -166.3 | 0 | 0 | 113.2 | ||||
| 905 | K | 28.6 | Very low | 27.6 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | trans | 63.7 | 159.9 | 155.7 | -72.2 | 154.3 | -165 | 160.5 | 0 | 116.4 | ||||
| 906 | K | 27.6 | Very low | 27.6 | Very low | 173 Ų | 173 | 128.3 Ų | 128.3 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | cis | -153.3 | 125.3 | 18.8 | -156.5 | 158.7 | 171.6 | -73.1 | 0 | 114.2 | ||||
| 907 | V | 26.5 | Very low | 27.6 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | trans | 65.4 | 109.9 | 145.6 | 169.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 908 | S | 26 | Very low | 27.7 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | 83.6 | 146.7 | 83.2 | -138.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 909 | M | 27 | Very low | 27.8 | Very low | 173 Ų | 173 | 124.1 Ų | 124.1 | 85% | 0.852 | 70% | 0.703 | S | S | * | * | cis | -147.9 | 148.8 | 31.4 | -64.1 | 168.1 | 49.8 | 0 | 0 | 115.5 | ||||
| 910 | G | 30.7 | Very low | 28 | Very low | 80 Ų | 80 | 120.5 Ų | 120.5 | 83% | 0.825 | 68% | 0.684 | S | S | * | * | trans | 76 | 147.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 911 | S | 32.6 | Very low | 28.3 | Very low | 109 Ų | 109 | 115.2 Ų | 115.2 | 76% | 0.762 | 66% | 0.659 | S | S | * | * | cis | -157.5 | 129.4 | -10.8 | -165.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 912 | S | 27.3 | Very low | 28.6 | Very low | 95 Ų | 95 | 115.5 Ų | 115.5 | 66% | 0.664 | 65% | 0.648 | S | S | * | * | 57 | 126 | 62.4 | -61.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 913 | Q | 28.3 | Very low | 28.9 | Very low | 177 Ų | 177 | 114.3 Ų | 114.3 | 83% | 0.827 | 64% | 0.644 | S | S | * | * | cis | -153.5 | 135 | -3 | -93.2 | 157.8 | -25.1 | 0 | 0 | 105.5 | ||||
| 914 | C | 23.1 | Very low | 29 | Very low | 110 Ų | 110 | 112.4 Ų | 112.4 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | 52.8 | 106.4 | 68.6 | -167 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 915 | T | 27.3 | Very low | 29.2 | Very low | 130 Ų | 130 | 111.5 Ų | 111.5 | 80% | 0.798 | 64% | 0.636 | S | S | * | * | 177.3 | 161.3 | 120.6 | 28.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 916 | V | 27.6 | Very low | 29.2 | Very low | 119 Ų | 119 | 107.4 Ų | 107.4 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | trans | 90.1 | 90.6 | 160.5 | -162.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 917 | L | 28.4 | Very low | 29.4 | Very low | 138 Ų | 138 | 105.5 Ų | 105.5 | 72% | 0.723 | 62% | 0.615 | S | S | * | * | trans | 53.9 | 128.2 | 132.8 | -52.9 | 177.8 | 0 | 0 | 0 | 120.2 | ||||
| 918 | T | 28.1 | Very low | 29.8 | Very low | 80 Ų | 80 | 105.4 Ų | 105.4 | 49% | 0.491 | 61% | 0.614 | S | S | . | * | cis | 169.3 | 168.8 | 36.8 | 23.3 | 0 | 0 | 0 | 0 | 113.7 | V617 | V617-T918 HydrophobicContact CB-CG2 4.12Å; V617-T918 HydrophobicContact CG1-CG2 3.42Å; V617-T918 VanDerWaalsContact CG1-CG2 3.42Å; V617-T918 HydrophobicContact CG2-CG2 3.65Å; V617-T918 WeakPolarHBondContact CG2-OG1 3.28Å | ||
| 919 | D | 30.1 | Very low | 30.2 | Very low | 77 Ų | 77 | 104.4 Ų | 104.4 | 41% | 0.412 | 61% | 0.606 | S | S | . | * | trans | 65.9 | 135.9 | 162.3 | -59.3 | -6.2 | 0 | 0 | 0 | 121.9 | T618 S619 | T618-D919 PolarHBondContact N-OD2 2.96Å; S619-D919 PolarHBondContact N-OD2 3.09Å | ||
| 920 | K | 30.5 | Very low | 30.2 | Very low | 90 Ų | 90 | 100.8 Ų | 100.8 | 39% | 0.391 | 59% | 0.594 | S | S | . | * | trans | 14.5 | 154.9 | 158.6 | -80.4 | -179.7 | 125.5 | 24.8 | 0 | 123.8 | ||||
| 921 | D | 32.7 | Very low | 30.3 | Very low | 35 Ų | 35 | 99.7 Ų | 99.7 | 19% | 0.187 | 57% | 0.574 | C | S | . | * | cis | -160.2 | 122.7 | 6.7 | -99.5 | -43.8 | 0 | 0 | 0 | 114.5 | E934 G935 H937 | D921-E934 PolarHBondContact N-OE1 3.19Å; D921-E934 CarbonylContact O-C 3.58Å; D921-E934 VanDerWaalsContact O-C 3.22Å; D921-E934 WeakPolarHBondContact O-CA 3.22Å; D921-G935 WeakPolarHBondContact O-CA 3.25Å; D921-G935 PolarHBondContact O-N 3.03Å; D921-H937 VanDerWaalsContact CG-CD2 3.48Å; D921-H937 IonicContact OD1-CD2 2.77Å; D921-H937 IonicContact OD1-NE2 3.14Å; D921-H937 PolarHBondContact OD1-NE2 3.4Å; D921-H937 IonicContact OD2-CD2 2.68Å; D921-H937 PolarHBondContact OD2-CD2 3.25Å; D921-H937 IonicContact OD2-NE2 3.13Å; D921-H937 PolarHBondContact OD2-NE2 2.74Å | ||
| 922 | T | 36.4 | Very low | 30.1 | Very low | 73 Ų | 73 | 100.7 Ų | 100.7 | 45% | 0.448 | 57% | 0.566 | S | S | . | * | trans | 107.9 | -103.4 | 154.6 | -19.4 | 0 | 0 | 0 | 0 | 125.4 | I933 | T922-I933 VanDerWaalsContact C-CG1 3.46Å; T922-I933 WeakPolarHBondContact O-CG1 3.49Å | ||
| 923 | T | 33.3 | Very low | 30.3 | Very low | 80 Ų | 80 | 101.2 Ų | 101.2 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | trans | -139.2 | 174.9 | -149.8 | 22.3 | 0 | 0 | 0 | 0 | 121.6 | I933 E934 | T923-I933 CarbonylContact O-C 3.42Å; T923-I933 WeakPolarHBondContact O-CA 3.13Å; T923-I933 PolarHBondContact O-N 3.38Å; T923-E934 CarbonylContact C-O 3.59Å; T923-E934 WeakPolarHBondContact CA-O 3.47Å; T923-E934 WeakPolarHBondContact CB-O 3.48Å; T923-E934 VanDerWaalsContact N-C 3.33Å; T923-E934 PolarHBondContact N-O 3.03Å; T923-E934 PolarHBondContact O-N 3.42Å; T923-E934 PolarHBondContact OG1-O 2.59Å | ||
| 924 | D | 30.2 | Very low | 30.5 | Very low | 116 Ų | 116 | 98.2 Ų | 98.2 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | trans | 93.4 | 120.2 | 156.2 | -136.4 | 44.8 | 0 | 0 | 0 | 125.9 | S931 E932 | D924-S931 VanDerWaalsContact C-C 3.49Å; D924-S931 CarbonylContact C-O 3.42Å; D924-S931 VanDerWaalsContact C-O 3.24Å; D924-E932 VanDerWaalsContact N-N 3.12Å | ||
| 925 | M | 30.5 | Very low | 30.9 | Very low | 105 Ų | 105 | 95.2 Ų | 95.2 | 52% | 0.517 | 53% | 0.534 | S | S | . | . | trans | 51.1 | 145.2 | 150.7 | -68.6 | -73.3 | 162.2 | 0 | 0 | 124.5 | V930 S931 | M925-V930 CarbonylContact C-O 3.57Å; M925-S931 PolarHBondContact N-O 2.99Å | ||
| 926 | H | 29.6 | Very low | 31.1 | Very low | 74 Ų | 74 | 92 Ų | 92 | 34% | 0.343 | 53% | 0.527 | S | S | . | . | trans | 93.6 | 109.4 | 147 | -34 | -97.5 | 0 | 0 | 0 | 117.3 | C929 V930 | H926-C929 WeakPolarHBondContact CE1-CB 3.39Å; H926-C929 PolarHBondContact CE1-SG 3.2Å; H926-C929 WeakPolarHBondContact ND1-CB 3.35Å; H926-V930 PolarHBondContact N-O 3.29Å; H926-V930 VanDerWaalsContact N-O 3.08Å | ||
| 927 | M | 31.4 | Very low | 31.2 | Very low | 134 Ų | 134 | 90.7 Ų | 90.7 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | S | Bend | cis | -136.3 | 144.2 | 5.8 | -78.1 | -72.6 | -74.9 | 0 | 0 | 107.7 | V930 | M927-V930 WeakPolarHBondContact O-CG2 3.24Š|
| 928 | T | 35.3 | Very low | 31.2 | Very low | 114 Ų | 114 | 87.7 Ų | 87.7 | 70% | 0.699 | 50% | 0.504 | S | S | * | . | S | Bend | cis | -131.4 | 45.7 | 6.4 | -36.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 929 | C | 34.1 | Very low | 31.2 | Very low | 83 Ų | 83 | 86.7 Ų | 86.7 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | S | Bend | cis | -117.1 | 149.8 | 15 | 7.1 | 0 | 0 | 0 | 0 | 112.6 | H926 | H926-C929 WeakPolarHBondContact CE1-CB 3.39Å; H926-C929 PolarHBondContact CE1-SG 3.2Å; H926-C929 WeakPolarHBondContact ND1-CB 3.35Å |
| 930 | V | 25.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 87.3 Ų | 87.3 | 59% | 0.594 | 51% | 0.508 | S | S | * | . | trans | -117.6 | -179.4 | 160.4 | -176.3 | 0 | 0 | 0 | 0 | 106.1 | M925 H926 M927 | M925-V930 CarbonylContact C-O 3.57Å; H926-V930 PolarHBondContact N-O 3.29Å; H926-V930 VanDerWaalsContact N-O 3.08Å; M927-V930 WeakPolarHBondContact O-CG2 3.24Å | ||
| 931 | S | 32.8 | Very low | 31.1 | Very low | 56 Ų | 56 | 86.6 Ų | 86.6 | 39% | 0.392 | 51% | 0.514 | S | S | . | . | trans | 80 | 147.3 | 161.8 | -71.7 | 0 | 0 | 0 | 0 | 118.5 | D924 M925 | D924-S931 VanDerWaalsContact C-C 3.49Å; D924-S931 CarbonylContact C-O 3.42Å; D924-S931 VanDerWaalsContact C-O 3.24Å; M925-S931 PolarHBondContact N-O 2.99Å | ||
| 932 | E | 28.6 | Very low | 30.8 | Very low | 131 Ų | 131 | 90.1 Ų | 90.1 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | cis | 72.6 | 122.7 | -7.8 | -59 | 166.7 | -80.1 | 0 | 0 | 118.9 | D924 | D924-E932 VanDerWaalsContact N-N 3.12Š| ||
| 933 | I | 32.6 | Very low | 30.5 | Very low | 105 Ų | 105 | 92.5 Ų | 92.5 | 54% | 0.538 | 56% | 0.556 | S | S | . | * | cis | -151.4 | 125.1 | 11.8 | -97 | 145.6 | 0 | 0 | 0 | 113.8 | T922 T923 | T922-I933 VanDerWaalsContact C-CG1 3.46Å; T922-I933 WeakPolarHBondContact O-CG1 3.49Å; T923-I933 CarbonylContact O-C 3.42Å; T923-I933 WeakPolarHBondContact O-CA 3.13Å; T923-I933 PolarHBondContact O-N 3.38Å | ||
| 934 | E | 32.8 | Very low | 30.1 | Very low | 114 Ų | 114 | 94.1 Ų | 94.1 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | trans | -171.7 | 159.2 | 143.1 | -101.4 | -63.4 | 100.2 | 0 | 0 | 109.6 | D921 T923 | D921-E934 PolarHBondContact N-OE1 3.19Å; D921-E934 CarbonylContact O-C 3.58Å; D921-E934 VanDerWaalsContact O-C 3.22Å; D921-E934 WeakPolarHBondContact O-CA 3.22Å; T923-E934 CarbonylContact C-O 3.59Å; T923-E934 WeakPolarHBondContact CA-O 3.47Å; T923-E934 WeakPolarHBondContact CB-O 3.48Å; T923-E934 VanDerWaalsContact N-C 3.33Å; T923-E934 PolarHBondContact N-O 3.03Å; T923-E934 PolarHBondContact O-N 3.42Å; T923-E934 PolarHBondContact OG1-O 2.59Å | ||
| 935 | G | 30.6 | Very low | 29.9 | Very low | 47 Ų | 47 | 93.3 Ų | 93.3 | 49% | 0.485 | 57% | 0.565 | S | S | . | * | cis | 154.4 | 126.8 | -11.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | D921 | D921-G935 WeakPolarHBondContact O-CA 3.25Å; D921-G935 PolarHBondContact O-N 3.03Å | ||
| 936 | G | 31.8 | Very low | 29.7 | Very low | 64 Ų | 64 | 94.4 Ų | 94.4 | 66% | 0.66 | 57% | 0.572 | S | S | * | * | cis | -167.1 | -164.2 | -6.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 937 | H | 30.3 | Very low | 29.5 | Very low | 91 Ų | 91 | 94.2 Ų | 94.2 | 42% | 0.421 | 58% | 0.576 | S | S | . | * | cis | -172.4 | 175.8 | -11.7 | -124.5 | -50.1 | 0 | 0 | 0 | 111.2 | D921 | D921-H937 VanDerWaalsContact CG-CD2 3.48Å; D921-H937 IonicContact OD1-CD2 2.77Å; D921-H937 IonicContact OD1-NE2 3.14Å; D921-H937 PolarHBondContact OD1-NE2 3.4Å; D921-H937 IonicContact OD2-CD2 2.68Å; D921-H937 PolarHBondContact OD2-CD2 3.25Å; D921-H937 IonicContact OD2-NE2 3.13Å; D921-H937 PolarHBondContact OD2-NE2 2.74Å | ||
| 938 | S | 28 | Very low | 29.2 | Very low | 75 Ų | 75 | 92.1 Ų | 92.1 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | trans | 75.8 | 144.7 | 163.2 | 90 | 0 | 0 | 0 | 0 | 120.5 | S622 | S622-S938 VanDerWaalsContact O-CB 3.22Å; S622-S938 WeakPolarHBondContact O-CB 3.4Å | ||
| 939 | V | 27.8 | Very low | 28.8 | Very low | 59 Ų | 59 | 91.7 Ų | 91.7 | 36% | 0.358 | 57% | 0.568 | S | S | . | * | cis | -155.6 | 154.4 | -12.1 | -112.4 | 0 | 0 | 0 | 0 | 115.6 | T623 S624 V625 | T623-V939 VanDerWaalsContact CA-CG1 3.47Å; T623-V939 HydrophobicContact CG2-CG1 4.03Å; S624-V939 WeakPolarHBondContact O-CG2 3.41Å; V625-V939 VanDerWaalsContact O-CG2 3.25Å; V625-V939 WeakPolarHBondContact O-CG2 3.41Å | ||
| 940 | S | 29.1 | Very low | 28.6 | Very low | 90 Ų | 90 | 93.4 Ų | 93.4 | 63% | 0.629 | 58% | 0.576 | S | S | * | * | trans | 11.4 | 148.7 | 136.8 | -47.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 941 | S | 28.7 | Very low | 28.8 | Very low | 75 Ų | 75 | 94.8 Ų | 94.8 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | cis | -164.9 | 157.2 | 49.9 | -53.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 942 | S | 27.4 | Very low | 28.7 | Very low | 109 Ų | 109 | 98.5 Ų | 98.5 | 76% | 0.762 | 60% | 0.596 | S | S | * | * | trans | -157 | 116.8 | 151 | -81 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 943 | T | 29 | Very low | 28.9 | Very low | 123 Ų | 123 | 98.2 Ų | 98.2 | 76% | 0.755 | 60% | 0.599 | S | S | * | * | trans | -134.9 | 131.8 | -172.8 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 944 | T | 26.5 | Very low | 28.9 | Very low | 114 Ų | 114 | 99.2 Ų | 99.2 | 70% | 0.699 | 61% | 0.605 | S | S | * | * | trans | -149.1 | 132.3 | 162 | -44.8 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 945 | T | 25.3 | Very low | 28.9 | Very low | 98 Ų | 98 | 97 Ų | 97 | 60% | 0.601 | 60% | 0.602 | S | S | * | * | cis | -154 | 174.2 | 48.7 | -42.6 | 0 | 0 | 0 | 0 | 110.4 | V632 | V632-T945 HydrophobicContact CG2-CG2 3.75Š| ||
| 946 | I | 25.9 | Very low | 29.1 | Very low | 128 Ų | 128 | 104 Ų | 104 | 66% | 0.656 | 62% | 0.619 | S | S | * | * | trans | 79.1 | 117.5 | 167.6 | -57.2 | 169.7 | 0 | 0 | 0 | 113.6 | ||||
| 947 | T | 25.4 | Very low | 29.2 | Very low | 70 Ų | 70 | 108.1 Ų | 108.1 | 43% | 0.429 | 62% | 0.619 | S | S | . | * | cis | -160.4 | 168.9 | 3.4 | 6.8 | 0 | 0 | 0 | 0 | 115.1 | K631 V632 | K631-T947 WeakPolarHBondContact CE-O 3.47Å; V632-T947 HydrophobicContact CG1-CG2 4.25Å | ||
| 948 | T | 26.5 | Very low | 29.3 | Very low | 91 Ų | 91 | 110.2 Ų | 110.2 | 56% | 0.558 | 63% | 0.631 | S | S | * | * | trans | 63 | 114.6 | 150 | 47.7 | 0 | 0 | 0 | 0 | 121.5 | K631 | K631-T948 VanDerWaalsContact CE-C 3.46Å; K631-T948 WeakPolarHBondContact CE-O 3.47Å; K631-T948 PolarHBondContact NZ-O 2.95Å | ||
| 949 | T | 26.9 | Very low | 29.5 | Very low | 104 Ų | 104 | 112.7 Ų | 112.7 | 64% | 0.638 | 63% | 0.634 | S | S | * | * | trans | 62.9 | 144.8 | 152.6 | 59.6 | 0 | 0 | 0 | 0 | 116.8 | K631 | K631-T949 WeakPolarHBondContact CE-O 3.27Å; K631-T949 PolarHBondContact NZ-O 3.19Å | ||
| 950 | T | 28.2 | Very low | 29.8 | Very low | 120 Ų | 120 | 115.4 Ų | 115.4 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | cis | -152.8 | -171.1 | -8.2 | 7.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 951 | D | 31.2 | Very low | 30 | Very low | 127 Ų | 127 | 117 Ų | 117 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | cis | -152.4 | -150.2 | 17.8 | -151.6 | 80.9 | 0 | 0 | 0 | 111.3 | ||||
| 952 | N | 29.1 | Very low | 30.3 | Very low | 133 Ų | 133 | 121.1 Ų | 121.1 | 71% | 0.711 | 66% | 0.663 | S | S | * | * | trans | -81.4 | 177.8 | 173.5 | -52.6 | -83.5 | 0 | 0 | 0 | 111.1 | ||||
| 953 | D | 34.5 | Very low | 30.6 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 67% | 0.674 | 66% | 0.66 | S | S | * | * | cis | -165.8 | 156.5 | 21.1 | -160.3 | 13.4 | 0 | 0 | 0 | 113.6 | ||||
| 954 | N | 31.1 | Very low | 31 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 67% | 0.668 | 65% | 0.65 | S | S | * | * | trans | 51.1 | 145.4 | 148.2 | -91.5 | -51.8 | 0 | 0 | 0 | 122.2 | ||||
| 955 | S | 33.3 | Very low | 31.2 | Very low | 69 Ų | 69 | 120 Ų | 120 | 48% | 0.483 | 63% | 0.634 | S | S | . | * | cis | -170.3 | 150.5 | 4.3 | -143.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 956 | K | 35.3 | Very low | 31.5 | Very low | 192 Ų | 192 | 118.3 Ų | 118.3 | 84% | 0.835 | 62% | 0.62 | S | S | * | * | trans | 68.7 | 148.6 | 153.5 | -64.6 | 154.2 | -168.7 | 166 | 0 | 118.2 | ||||
| 957 | K | 33.2 | Very low | 31.5 | Very low | 151 Ų | 151 | 115.3 Ų | 115.3 | 66% | 0.657 | 61% | 0.61 | S | S | * | * | cis | -153.9 | 139.5 | -2.1 | -142.2 | -161.8 | 160 | -92.8 | 0 | 109.7 | E959 | K957-E959 IonicContact NZ-OE2 2.7Å; K957-E959 PolarHBondContact NZ-OE2 2.79Å | ||
| 958 | M | 32.2 | Very low | 31.8 | Very low | 136 Ų | 136 | 115 Ų | 115 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | trans | 34.9 | 152.3 | 131.3 | -70.9 | 162.6 | 130.6 | 0 | 0 | 121.9 | ||||
| 959 | E | 33.9 | Very low | 32.1 | Very low | 126 Ų | 126 | 117 Ų | 117 | 59% | 0.589 | 63% | 0.633 | S | S | * | * | cis | -155.5 | 136.1 | 12.1 | -119.7 | 146 | 142.1 | 0 | 0 | 106.7 | K957 | K957-E959 IonicContact NZ-OE2 2.7Å; K957-E959 PolarHBondContact NZ-OE2 2.79Å | ||
| 960 | V | 33.8 | Very low | 32.4 | Very low | 117 Ų | 117 | 115.9 Ų | 115.9 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | 74.4 | 132.9 | 93.4 | 165.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 961 | D | 33.2 | Very low | 32.5 | Very low | 124 Ų | 124 | 114.1 Ų | 114.1 | 66% | 0.663 | 62% | 0.623 | S | S | * | * | cis | -144.8 | 142.3 | 21.9 | -114.9 | -21.8 | 0 | 0 | 0 | 111.4 | ||||
| 962 | E | 35.2 | Very low | 32.5 | Very low | 160 Ų | 160 | 113.4 Ų | 113.4 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | 67.9 | 149 | 98.9 | -83.2 | -154.8 | 159.7 | 0 | 0 | 117.8 | |||||
| 963 | K | 33.3 | Very low | 32.7 | Very low | 159 Ų | 159 | 113.2 Ų | 113.2 | 69% | 0.691 | 63% | 0.631 | S | S | * | * | cis | 180 | -175 | -23.9 | -125.4 | -163.1 | 159.4 | -151.4 | 0 | 107.6 | ||||
| 964 | P | 37.3 | Very low | 32.6 | Very low | 85 Ų | 85 | 111.2 Ų | 111.2 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | -140.3 | -154.7 | -85.2 | 42.8 | -20.4 | 0 | 0 | 0 | 115.6 | |||||
| 965 | E | 30.8 | Very low | 32.7 | Very low | 79 Ų | 79 | 114.4 Ų | 114.4 | 37% | 0.369 | 64% | 0.64 | S | S | . | * | trans | 78.3 | 140.1 | 151.4 | -75.4 | 159.3 | -136.5 | 0 | 0 | 121.9 | Q674 Y676 | Q674-E965 HydrophobicContact CG-CB 4.21Å; Q674-E965 PolarHBondContact NE2-OE2 3.17Å; Y676-E965 HydrophobicContact CE2-CG 4.49Å; Y676-E965 VanDerWaalsContact OH-CD 3.22Å; Y676-E965 PolarHBondContact OH-OE1 2.93Å | ||
| 966 | M | 31 | Very low | 32.5 | Very low | 63 Ų | 63 | 117.7 Ų | 117.7 | 31% | 0.31 | 65% | 0.652 | S | S | . | * | -178 | -155 | -53.2 | -178.4 | 161.1 | 42 | 0 | 0 | 113 | Q674 Y676 D677 | Q674-M966 CarbonylContact C-O 3.52Å; Q674-M966 WeakPolarHBondContact CA-O 3.46Å; Q674-M966 PolarHBondContact N-O 3.07Å; Y676-M966 HydrophobicContact CD1-CE 3.39Å; Y676-M966 HydrophobicContact CD2-CE 4.28Å; Y676-M966 HydrophobicContact CE1-CE 3.46Å; Y676-M966 VanDerWaalsContact CE1-CE 3.46Å; Y676-M966 HydrophobicContact CE2-CE 4.35Å; Y676-M966 HydrophobicContact CG-CE 3.77Å; D677-M966 HydrophobicContact CB-CE 3.89Å; D677-M966 HydrophobicContact CB-SD 3.74Å; D677-M966 WeakPolarHBondContact OD2-CE 3.32Å | |||
| 967 | C | 25.7 | Very low | 32.3 | Very low | 64 Ų | 64 | 115.2 Ų | 115.2 | 43% | 0.432 | 65% | 0.647 | S | S | . | * | trans | -72 | 130.5 | -165.6 | -46.7 | 0 | 0 | 0 | 0 | 124.4 | Q674 S675 | Q674-C967 VanDerWaalsContact C-C 3.5Å; Q674-C967 CarbonylContact C-O 3.56Å; Q674-C967 VanDerWaalsContact C-O 3.27Å; Q674-C967 CarbonylContact O-C 3.04Å; S675-C967 CarbonylContact C-O 3.06Å; S675-C967 VanDerWaalsContact CA-N 3.34Å; S675-C967 WeakPolarHBondContact CA-O 3.29Å; S675-C967 PolarHBondContact N-O 2.95Å | ||
| 968 | G | 32.5 | Very low | 32.2 | Very low | 63 Ų | 63 | 115.9 Ų | 115.9 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | 67.8 | -162.4 | 107.2 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 969 | T | 31.9 | Very low | 32.1 | Very low | 134 Ų | 134 | 116.4 Ų | 116.4 | 82% | 0.822 | 66% | 0.66 | S | S | * | * | trans | 81.7 | 140.8 | 165.9 | -49.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 970 | A | 32.5 | Very low | 32.1 | Very low | 80 Ų | 80 | 114.1 Ų | 114.1 | 66% | 0.661 | 67% | 0.67 | S | S | * | * | cis | -170.9 | -147.1 | -25.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 971 | V | 30.9 | Very low | 32 | Very low | 84 Ų | 84 | 113.3 Ų | 113.3 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | trans | 101.3 | 98.8 | 162.5 | -172.9 | 0 | 0 | 0 | 0 | 117.4 | N644 | N644-V971 WeakPolarHBondContact OD1-CG1 3.5Å; N644-V971 WeakPolarHBondContact OD1-CG2 3.41Å | ||
| 972 | S | 31.8 | Very low | 32 | Very low | 112 Ų | 112 | 113.8 Ų | 113.8 | 78% | 0.783 | 67% | 0.673 | S | S | * | * | 81.8 | 162.8 | 94.1 | -56.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 973 | V | 32.6 | Very low | 31.7 | Very low | 129 Ų | 129 | 113 Ų | 113 | 78% | 0.782 | 67% | 0.673 | S | S | * | * | cis | -157.4 | 139.8 | 41.8 | 172.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 974 | A | 32.1 | Very low | 31.7 | Very low | 84 Ų | 84 | 110.9 Ų | 110.9 | 69% | 0.694 | 67% | 0.674 | S | S | * | * | trans | 27.4 | 150.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 975 | K | 33.8 | Very low | 31.3 | Very low | 192 Ų | 192 | 113.6 Ų | 113.6 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | cis | -166.8 | 174.1 | 49.9 | -82.5 | -175.7 | 177.6 | 175.1 | 0 | 110.8 | ||||
| 976 | L | 29 | Very low | 31.3 | Very low | 138 Ų | 138 | 115.4 Ų | 115.4 | 72% | 0.723 | 70% | 0.7 | S | S | * | * | cis | -175.3 | 165 | -32.2 | -99.6 | 178.9 | 0 | 0 | 0 | 107.8 | ||||
| 977 | N | 31.4 | Very low | 31.3 | Very low | 139 Ų | 139 | 118.5 Ų | 118.5 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | 82.8 | 126.8 | 175.6 | -56.7 | 7.2 | 0 | 0 | 0 | 115.2 | ||||
| 978 | M | 30.6 | Very low | 31.5 | Very low | 166 Ų | 166 | 120.3 Ų | 120.3 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | cis | 76.3 | 130.8 | 38.4 | -56.2 | -59.8 | -167.1 | 0 | 0 | 113 | ||||
| 979 | D | 31.3 | Very low | 31.3 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | cis | -129 | 162.3 | 2.4 | -69.5 | -64.2 | 0 | 0 | 0 | 109.7 | ||||
| 980 | G | 32.8 | Very low | 31.2 | Very low | 77 Ų | 77 | 118.6 Ų | 118.6 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | 80.9 | 142.4 | 76.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 981 | S | 32.7 | Very low | 31.1 | Very low | 100 Ų | 100 | 118 Ų | 118 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | cis | -167.6 | 167.7 | -3.4 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 982 | N | 32.5 | Very low | 31.1 | Very low | 135 Ų | 135 | 122 Ų | 122 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | 74.3 | 149.9 | 167.8 | -38.3 | -15.7 | 0 | 0 | 0 | 116.6 | ||||
| 983 | D | 28.8 | Very low | 31.1 | Very low | 142 Ų | 142 | 123.1 Ų | 123.1 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | cis | -168.7 | 168.8 | -30.6 | -104.4 | -42.7 | 0 | 0 | 0 | 109.5 | ||||
| 984 | V | 34.2 | Very low | 31.2 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 70% | 0.703 | 72% | 0.717 | S | S | * | * | trans | 70 | 101.4 | 168.6 | -162.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 985 | D | 29 | Very low | 31.5 | Very low | 141 Ų | 141 | 120.6 Ų | 120.6 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | 31.8 | 144.9 | 120.2 | -44.8 | -45.7 | 0 | 0 | 0 | 119.8 | |||||
| 986 | V | 30.7 | Very low | 31.6 | Very low | 118 Ų | 118 | 117.2 Ų | 117.2 | 72% | 0.715 | 72% | 0.715 | S | S | * | * | -160.2 | 125.4 | 56.8 | 160.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 987 | V | 30.3 | Very low | 32 | Very low | 127 Ų | 127 | 116.1 Ų | 116.1 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | trans | 45.7 | 137.5 | 134.3 | 178.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 988 | S | 29.9 | Very low | 32.1 | Very low | 102 Ų | 102 | 115.1 Ų | 115.1 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | cis | -167.1 | 168.4 | -15.5 | -97.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 989 | S | 28.4 | Very low | 32.2 | Very low | 55 Ų | 55 | 112.5 Ų | 112.5 | 39% | 0.385 | 71% | 0.706 | S | S | . | * | trans | -104.2 | -168.1 | 167.1 | 48.1 | 0 | 0 | 0 | 0 | 112.9 | S176 | S176-S989 WeakPolarHBondContact OG-CB 3.24Å; S176-S989 PolarHBondContact OG-OG 3.26Å | ||
| 990 | V | 30.5 | Very low | 32.3 | Very low | 106 Ų | 106 | 111 Ų | 111 | 64% | 0.642 | 70% | 0.702 | S | S | * | * | trans | 108.6 | 138.8 | 152.4 | -170.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 991 | S | 30.6 | Very low | 32.4 | Very low | 68 Ų | 68 | 113.7 Ų | 113.7 | 48% | 0.476 | 70% | 0.703 | S | S | . | * | trans | -61 | 161.6 | 179.6 | -160.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 992 | E | 30.8 | Very low | 32.5 | Very low | 168 Ų | 168 | 113.3 Ų | 113.3 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | 66.9 | 134.4 | 143.6 | -89.7 | 174.4 | 125.6 | 0 | 0 | 123.6 | ||||
| 993 | V | 31.2 | Very low | 32.7 | Very low | 136 Ų | 136 | 113.8 Ų | 113.8 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | 54.9 | 105.1 | 148.4 | -172.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 994 | G | 33.9 | Very low | 33.1 | Very low | 70 Ų | 70 | 110.1 Ų | 110.1 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | 103.6 | 81.8 | 127.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 995 | A | 38.1 | Very low | 33.2 | Very low | 90 Ų | 90 | 111.8 Ų | 111.8 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | trans | 61.5 | 95.2 | 133.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 996 | T | 37.6 | Very low | 33.5 | Very low | 120 Ų | 120 | 109.9 Ų | 109.9 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | 72.7 | 103.3 | 120.7 | 52.9 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 997 | T | 36.6 | Very low | 33.7 | Very low | 116 Ų | 116 | 107.8 Ų | 107.8 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | 96.3 | 146.4 | 108.5 | -48.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 998 | V | 34.2 | Very low | 33.8 | Very low | 117 Ų | 117 | 109.6 Ų | 109.6 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | trans | 65.4 | 150.6 | 165.9 | -84.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 999 | V | 32.1 | Very low | 34 | Very low | 111 Ų | 111 | 108.9 Ų | 108.9 | 67% | 0.673 | 73% | 0.73 | S | S | * | * | cis | -134.3 | 171.1 | 17.8 | -169.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1000 | T | 34 | Very low | 34.2 | Very low | 115 Ų | 115 | 112.1 Ų | 112.1 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -90 | -178.9 | -177.5 | 60.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1001 | T | 33.4 | Very low | 34.4 | Very low | 134 Ų | 134 | 111.8 Ų | 111.8 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | 176.3 | 146 | 118.2 | 30.1 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1002 | A | 35.7 | Very low | 34.5 | Very low | 92 Ų | 92 | 114.8 Ų | 114.8 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | 68.3 | 166 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1003 | V | 37.1 | Very low | 34.8 | Very low | 145 Ų | 145 | 111.9 Ų | 111.9 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | cis | -146.9 | 143.5 | 16.9 | -174.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1004 | G | 37.6 | Very low | 34.8 | Very low | 65 Ų | 65 | 110.5 Ų | 110.5 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | trans | 95.9 | 155.6 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1005 | V | 36 | Very low | 34.8 | Very low | 151 Ų | 151 | 112.5 Ų | 112.5 | 92% | 0.915 | 76% | 0.761 | S | S | * | * | cis | -154.9 | 178.3 | -4.3 | -163.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1006 | A | 35.5 | Very low | 34.5 | Very low | 101 Ų | 101 | 113.2 Ų | 113.2 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | -154.5 | 151.8 | -106.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1007 | G | 35 | Very low | 34.3 | Very low | 74 Ų | 74 | 113.1 Ų | 113.1 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | 145.9 | 154.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1008 | I | 32.6 | Very low | 34.1 | Very low | 165 Ų | 165 | 112.7 Ų | 112.7 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | cis | -149.6 | 125.8 | 3.8 | -64.5 | 179.3 | 0 | 0 | 0 | 110.8 | ||||
| 1009 | A | 33.6 | Very low | 33.8 | Very low | 88 Ų | 88 | 114.8 Ų | 114.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 48.8 | 165.7 | 150 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1010 | T | 32.1 | Very low | 34 | Very low | 123 Ų | 123 | 114.9 Ų | 114.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | cis | -150.8 | 149.3 | 9.7 | 39.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1011 | S | 35.7 | Very low | 33.9 | Very low | 98 Ų | 98 | 117.8 Ų | 117.8 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | 55.2 | 133.2 | 151.8 | 57.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1012 | T | 32.2 | Very low | 33.8 | Very low | 131 Ų | 131 | 119 Ų | 119 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | cis | 87.5 | 152.9 | 22.9 | 73.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1013 | P | 37.5 | Very low | 33.5 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | -142.4 | 176.5 | -56.7 | 41.4 | -23.3 | 0 | 0 | 0 | 116.2 | |||||
| 1014 | S | 30.2 | Very low | 33.2 | Very low | 108 Ų | 108 | 117.7 Ų | 117.7 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 51.6 | 135.2 | 148.1 | 64.7 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1015 | S | 33.9 | Very low | 32.9 | Very low | 112 Ų | 112 | 118 Ų | 118 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | 170.1 | 122.5 | 130.6 | 62.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1016 | S | 32.5 | Very low | 32.5 | Very low | 105 Ų | 105 | 122.1 Ų | 122.1 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | 28.6 | 148.8 | 137.8 | 63.4 | 0 | 0 | 0 | 0 | 128.6 | ||||
| 1017 | S | 33 | Very low | 32.1 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 84.7 | 157 | 146.8 | 84.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1018 | S | 32.6 | Very low | 32 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | cis | -156.5 | 161.4 | 3.5 | 61.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1019 | L | 28.3 | Very low | 31.8 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 6.4 | 141 | 149 | -126.5 | 70 | 0 | 0 | 0 | 120.5 | ||||
| 1020 | V | 35.5 | Very low | 31.9 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | -175.5 | 156.4 | 85.4 | 156.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1021 | E | 32.5 | Very low | 31.8 | Very low | 176 Ų | 176 | 128.5 Ų | 128.5 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | 2.4 | 173.1 | 161.8 | -61.9 | 169.9 | 147.7 | 0 | 0 | 123.9 | ||||
| 1022 | Q | 31.5 | Very low | 31.7 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | cis | 176.4 | 150.3 | -40.2 | -160.1 | -174 | 98 | 0 | 0 | 108 | ||||
| 1023 | T | 28.8 | Very low | 31.8 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | 74.6 | 135.9 | 165.8 | 76.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1024 | G | 31.1 | Very low | 31.6 | Very low | 85 Ų | 85 | 131.5 Ų | 131.5 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | 79.5 | 136.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1025 | G | 30 | Very low | 31.7 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | cis | 157.3 | 125.1 | -13.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1026 | R | 28.4 | Very low | 31.9 | Very low | 238 Ų | 238 | 134.5 Ų | 134.5 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | 74.2 | 123 | 161 | -48.4 | 178.5 | 74.9 | 179.1 | 4.7 | 119.2 | ||||
| 1027 | S | 27.4 | Very low | 32.1 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 51.7 | 111.8 | 136.9 | 62.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1028 | S | 32.8 | Very low | 32.4 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | -154.5 | 123.9 | 128.3 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1029 | E | 28.1 | Very low | 32.7 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | trans | -75.1 | 138.3 | 164.5 | -63.4 | 153.1 | 126 | 0 | 0 | 109.1 | ||||
| 1030 | A | 35.4 | Very low | 33.3 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -162.6 | 119.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1031 | D | 31.1 | Very low | 33.3 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -70.4 | 140 | 168.1 | -69.7 | -63 | 0 | 0 | 0 | 111.1 | ||||
| 1032 | C | 33.8 | Very low | 33.6 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -154.7 | 55.9 | 160.9 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | M1034 | C1032-M1034 PolarHBondContact O-N 3.15Š| ||
| 1033 | D | 32.5 | Very low | 34.1 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -58.2 | 124.9 | 159 | -175.5 | 16.6 | 0 | 0 | 0 | 108.9 | ||||
| 1034 | M | 33.9 | Very low | 34.6 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 61% | 0.611 | 77% | 0.769 | S | S | * | * | trans | -152.6 | 93.4 | 177.1 | -122.1 | -52.9 | 173.8 | 0 | 0 | 113.4 | C1032 Y1036 | C1032-M1034 PolarHBondContact O-N 3.15Å; M1034-Y1036 HydrophobicContact CE-CD2 4.35Å; M1034-Y1036 HydrophobicContact CE-CE2 3.64Å; M1034-Y1036 HydrophobicContact CG-CD2 4.16Å; M1034-Y1036 HydrophobicContact CG-CE2 4.11Å; M1034-Y1036 PolarHBondContact O-N 3.42Å; M1034-Y1036 HydrophobicContact SD-CD2 3.39Å; M1034-Y1036 WeakPolarHBondContact SD-CD2 3.48Å; M1034-Y1036 HydrophobicContact SD-CE2 3.3Å; M1034-Y1036 WeakPolarHBondContact SD-CE2 3.28Å; M1034-Y1036 HydrophobicContact SD-CG 4.36Å | ||
| 1035 | S | 33.8 | Very low | 35 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -66.9 | 103.8 | 167 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1036 | Y | 36.6 | Very low | 35.4 | Very low | 181 Ų | 181 | 132 Ų | 132 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | trans | -123.8 | 101.9 | 170.9 | -96 | -69.6 | 0 | 0 | 0 | 112.3 | M1034 | M1034-Y1036 HydrophobicContact CE-CD2 4.35Å; M1034-Y1036 HydrophobicContact CE-CE2 3.64Å; M1034-Y1036 HydrophobicContact CG-CD2 4.16Å; M1034-Y1036 HydrophobicContact CG-CE2 4.11Å; M1034-Y1036 PolarHBondContact O-N 3.42Å; M1034-Y1036 HydrophobicContact SD-CD2 3.39Å; M1034-Y1036 WeakPolarHBondContact SD-CD2 3.48Å; M1034-Y1036 HydrophobicContact SD-CE2 3.3Å; M1034-Y1036 WeakPolarHBondContact SD-CE2 3.28Å; M1034-Y1036 HydrophobicContact SD-CG 4.36Å | ||
| 1037 | L | 37.7 | Very low | 36.4 | Very low | 175 Ų | 175 | 124.1 Ų | 124.1 | 92% | 0.916 | 72% | 0.724 | S | S | * | * | trans | -163.7 | 43 | 131.9 | -104.7 | 171.3 | 0 | 0 | 0 | 111.2 | ||||
| 1038 | F | 38.4 | Very low | 37.1 | Very low | 197 Ų | 197 | 125.2 Ų | 125.2 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | trans | -80.7 | 137.3 | 163.8 | -121.4 | -88.7 | 0 | 0 | 0 | 108.9 | ||||
| 1039 | C | 38.3 | Very low | 37.7 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -169.5 | 156.7 | 155.6 | -124.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1040 | P | 41 | Very low | 38.4 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | cis | -113.2 | 161.5 | -14.4 | 21.1 | -0.1 | 0 | 0 | 0 | 113.1 | ||||
| 1041 | S | 37.3 | Very low | 38.8 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 83% | 0.825 | 69% | 0.688 | S | S | * | * | trans | -67.6 | 136.6 | -178 | -44 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1042 | A | 37.3 | Very low | 39.5 | Very low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 69% | 0.687 | S | S | * | * | trans | -109.9 | 120.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1043 | P | 42.5 | Very low | 40 | Very low | 72 Ų | 72 | 125.8 Ų | 125.8 | 47% | 0.468 | 68% | 0.682 | S | S | . | * | trans | -76 | 160.8 | -178.6 | -11.7 | 27.6 | 0 | 0 | 0 | 112.1 | N772 N773 T774 | N772-P1043 VanDerWaalsContact O-CB 3.3Å; N772-P1043 WeakPolarHBondContact O-CB 3.43Å; N773-P1043 CarbonylContact C-O 3.58Å; T774-P1043 PolarHBondContact N-O 3.28Å | ||
| 1044 | G | 39.8 | Very low | 40.4 | Very low | 40 Ų | 40 | 125.2 Ų | 125.2 | 41% | 0.412 | 68% | 0.678 | S | S | . | * | trans | 65 | 69.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1045 | D | 38.7 | Very low | 41.1 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | -156.6 | 107.3 | 125.4 | -104.6 | -8.2 | 0 | 0 | 0 | 107.4 | C590 | C590-D1045 HydrophobicContact CB-CB 3.81Å; C590-D1045 VanDerWaalsContact CB-OD2 3.26Å; C590-D1045 WeakPolarHBondContact CB-OD2 3.37Å; C590-D1045 PolarHBondContact SG-OD2 2.85Å | |||
| 1046 | E | 38.4 | Very low | 41.7 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 59% | 0.589 | 69% | 0.687 | S | S | * | * | trans | -91.4 | 161 | 153.6 | -95 | -116.1 | 83.3 | 0 | 0 | 106.7 | D588 K589 K1049 | D588-E1046 CarbonylContact C-O 3.59Å; D588-E1046 CarbonylContact O-C 3.55Å; D588-E1046 VanDerWaalsContact O-O 3.04Å; K589-E1046 PolarHBondContact N-O 3.06Å; K589-E1046 CarbonylContact O-C 3.08Å; E1046-K1049 IonicContact OE1-NZ 3.94Å; E1046-K1049 PolarHBondContact OE1-NZ 2.83Å; E1046-K1049 IonicContact OE2-NZ 3.99Å; E1046-K1049 PolarHBondContact OE2-NZ 2.83Å | ||
| 1047 | D | 49.2 | Very low | 43.1 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 39% | 0.39 | 68% | 0.683 | S | S | . | * | cis | -115.6 | 143.8 | 9.9 | -169.5 | -50.7 | 0 | 0 | 0 | 111.5 | D588 K589 K1049 | D588-D1047 PolarHBondContact O-N 3.49Å; K589-D1047 VanDerWaalsContact N-N 3.15Å; D1047-K1049 VanDerWaalsContact CG-NZ 3.32Å; D1047-K1049 VanDerWaalsContact OD1-CB 3.25Å; D1047-K1049 WeakPolarHBondContact OD1-CB 3.38Å; D1047-K1049 WeakPolarHBondContact OD1-CG 3.45Å; D1047-K1049 PolarHBondContact OD1-N 3.4Å; D1047-K1049 IonicContact OD1-NZ 2.73Å; D1047-K1049 WeakPolarHBondContact OD2-CD 3.46Å; D1047-K1049 IonicContact OD2-NZ 2.94Å; D1047-K1049 PolarHBondContact OD2-NZ 2.88Å | ||
| 1048 | R | 43 | Very low | 44.8 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 51% | 0.506 | 66% | 0.661 | S | S | . | * | trans | -138.9 | 40.1 | 169.1 | -145.6 | 179.2 | -156.2 | 176.5 | 13.9 | 114.4 | C590 D591 D1050 | C590-R1048 VanDerWaalsContact O-CD 3.3Å; C590-R1048 WeakPolarHBondContact O-CD 3.29Å; C590-R1048 PolarHBondContact O-NE 2.86Å; D591-R1048 VanDerWaalsContact CG-CZ 3.43Å; D591-R1048 IonicContact OD1-CZ 3.39Å; D591-R1048 VanDerWaalsContact OD1-CZ 3.31Å; D591-R1048 IonicContact OD1-NH1 2.92Å; D591-R1048 PolarHBondContact OD1-NH1 3.02Å; D591-R1048 IonicContact OD1-NH2 3.31Å; D591-R1048 PolarHBondContact OD1-NH2 2.88Å; D591-R1048 IonicContact OD2-CZ 3.91Å; D591-R1048 IonicContact OD2-NH1 3.89Å; D591-R1048 IonicContact OD2-NH2 2.76Å; D591-R1048 PolarHBondContact OD2-NH2 3.34Å; R1048-D1050 PolarHBondContact O-N 3.22Å | ||
| 1049 | K | 44.1 | Very low | 46.5 | Very low | 138 Ų | 138 | 119.2 Ų | 119.2 | 60% | 0.6 | 65% | 0.647 | S | S | * | * | trans | -73.5 | 60.4 | 178.9 | -65.2 | 176.4 | -172.3 | 70 | 0 | 113 | E1046 D1047 | E1046-K1049 IonicContact OE1-NZ 3.94Å; E1046-K1049 PolarHBondContact OE1-NZ 2.83Å; E1046-K1049 IonicContact OE2-NZ 3.99Å; E1046-K1049 PolarHBondContact OE2-NZ 2.83Å; D1047-K1049 VanDerWaalsContact CG-NZ 3.32Å; D1047-K1049 VanDerWaalsContact OD1-CB 3.25Å; D1047-K1049 WeakPolarHBondContact OD1-CB 3.38Å; D1047-K1049 WeakPolarHBondContact OD1-CG 3.45Å; D1047-K1049 PolarHBondContact OD1-N 3.4Å; D1047-K1049 IonicContact OD1-NZ 2.73Å; D1047-K1049 WeakPolarHBondContact OD2-CD 3.46Å; D1047-K1049 IonicContact OD2-NZ 2.94Å; D1047-K1049 PolarHBondContact OD2-NZ 2.88Å | ||
| 1050 | D | 42.7 | Very low | 48.4 | Very low | 141 Ų | 141 | 122.4 Ų | 122.4 | 75% | 0.754 | 64% | 0.644 | S | S | * | * | trans | -150.9 | 32.7 | 178.2 | -137.9 | 8.5 | 0 | 0 | 0 | 112.4 | R1048 | R1048-D1050 PolarHBondContact O-N 3.22Š| ||
| 1051 | V | 45.7 | Very low | 50.3 | Low | 106 Ų | 106 | 118.4 Ų | 118.4 | 64% | 0.642 | 62% | 0.623 | S | S | * | * | trans | -137 | 23.5 | -178.4 | -149 | 0 | 0 | 0 | 0 | 113.8 | L1053 | V1051-L1053 PolarHBondContact O-N 2.95Š| ||
| 1052 | E | 44.3 | Very low | 52.1 | Low | 185 Ų | 185 | 119.1 Ų | 119.1 | 86% | 0.864 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -71.1 | 102.4 | 165.1 | -174 | 171.7 | -156.3 | 0 | 0 | 109.2 | ||
| 1053 | L | 44.3 | Very low | 53.9 | Low | 136 Ų | 136 | 116.9 Ų | 116.9 | 71% | 0.712 | 59% | 0.593 | S | S | * | * | trans | 41.8 | 78.5 | 166.6 | -65.8 | 172.4 | 0 | 0 | 0 | 114.3 | V1051 K1055 | V1051-L1053 PolarHBondContact O-N 2.95Å; L1053-K1055 HydrophobicContact CB-CB 4.42Å; L1053-K1055 PolarHBondContact O-N 3.33Å | ||
| 1054 | L | 41.8 | Very low | 55.7 | Low | 144 Ų | 144 | 115.7 Ų | 115.7 | 75% | 0.754 | 59% | 0.589 | S | S | * | * | trans | -58.5 | 71.7 | 135.2 | -75.1 | 175.3 | 0 | 0 | 0 | 108.7 | F1056 | L1054-F1056 HydrophobicContact CB-CD2 4.31Å; L1054-F1056 HydrophobicContact CB-CE2 4.25Å; L1054-F1056 WeakPolarHBondContact O-CD2 3.3Å; L1054-F1056 PolarHBondContact O-N 2.97Å | ||
| 1055 | K | 48.3 | Very low | 57.5 | Low | 166 Ų | 166 | 118.5 Ų | 118.5 | 72% | 0.722 | 59% | 0.591 | S | S | * | * | trans | -67.9 | 85.2 | 166.3 | -170.6 | 173.7 | -174.7 | 176.2 | 0 | 104.9 | L1053 Q1057 | L1053-K1055 HydrophobicContact CB-CB 4.42Å; L1053-K1055 PolarHBondContact O-N 3.33Å; K1055-Q1057 PolarHBondContact O-N 3.33Å | ||
| 1056 | F | 47.1 | Very low | 59.3 | Low | 178 Ų | 178 | 117.4 Ų | 117.4 | 78% | 0.781 | 59% | 0.585 | S | S | * | * | trans | -53 | 94.6 | 169 | -87.1 | -95.9 | 0 | 0 | 0 | 106.6 | L1054 N1058 | L1054-F1056 HydrophobicContact CB-CD2 4.31Å; L1054-F1056 HydrophobicContact CB-CE2 4.25Å; L1054-F1056 WeakPolarHBondContact O-CD2 3.3Å; L1054-F1056 PolarHBondContact O-N 2.97Å; F1056-N1058 VanDerWaalsContact C-N 3.35Å; F1056-N1058 PolarHBondContact O-N 3.48Å | ||
| 1057 | Q | 64.8 | Low | 61.2 | Low | 134 Ų | 134 | 114.4 Ų | 114.4 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | trans | -60.4 | 105.4 | 177.1 | -178.4 | 65.5 | 21.7 | 0 | 0 | 105.2 | K1055 P1059 | K1055-Q1057 PolarHBondContact O-N 3.33Å; Q1057-P1059 VanDerWaalsContact O-N 3.08Å | ||
| 1058 | N | 73.9 | Confident | 62.8 | Low | 85 Ų | 85 | 115.3 Ų | 115.3 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | trans | -49 | 120.5 | -164.2 | 178.8 | -6.5 | 0 | 0 | 0 | 108.7 | F1056 Y1060 G1061 K1062 | F1056-N1058 VanDerWaalsContact C-N 3.35Å; F1056-N1058 PolarHBondContact O-N 3.48Å; N1058-Y1060 PolarHBondContact O-N 2.72Å; N1058-Y1060 VanDerWaalsContact O-N 3.17Å; N1058-Y1060 WeakPolarHBondContact OD1-CB 3.42Å; N1058-Y1060 VanDerWaalsContact OD1-CD2 3.24Å; N1058-Y1060 WeakPolarHBondContact OD1-CD2 3.13Å; N1058-Y1060 PolarHBondContact OD1-N 2.76Å; N1058-Y1060 VanDerWaalsContact OD1-N 3.11Å; N1058-G1061 CarbonylContact O-C 3.21Å; N1058-G1061 WeakPolarHBondContact O-CA 3.19Å; N1058-G1061 PolarHBondContact O-N 2.93Å; N1058-K1062 PolarHBondContact O-N 3.48Å | ||
| 1059 | P | 74.5 | Confident | 64.3 | Low | 89 Ų | 89 | 112.9 Ų | 112.9 | 58% | 0.578 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -57.6 | -34.5 | -175.7 | 21.3 | -32.7 | 0 | 0 | 0 | 111.3 | Q1057 G1061 K1062 A1063 | Q1057-P1059 VanDerWaalsContact O-N 3.08Å; P1059-G1061 PolarHBondContact O-N 2.93Å; P1059-K1062 PolarHBondContact O-N 2.91Å; P1059-A1063 WeakPolarHBondContact O-CB 3.16Å; P1059-A1063 PolarHBondContact O-N 3.18Å |
| 1060 | Y | 77.3 | Confident | 65.8 | Low | 189 Ų | 189 | 107.3 Ų | 107.3 | 74% | 0.741 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.3 | -36.6 | 172.1 | -56.3 | -66.2 | 0 | 0 | 0 | 112.6 | N1058 A1063 A1064 | N1058-Y1060 PolarHBondContact O-N 2.72Å; N1058-Y1060 VanDerWaalsContact O-N 3.17Å; N1058-Y1060 WeakPolarHBondContact OD1-CB 3.42Å; N1058-Y1060 VanDerWaalsContact OD1-CD2 3.24Å; N1058-Y1060 WeakPolarHBondContact OD1-CD2 3.13Å; N1058-Y1060 PolarHBondContact OD1-N 2.76Å; N1058-Y1060 VanDerWaalsContact OD1-N 3.11Å; Y1060-A1063 PolarHBondContact O-N 2.92Å; Y1060-A1064 WeakPolarHBondContact O-CB 3.31Å; Y1060-A1064 PolarHBondContact O-N 3.19Å |
| 1061 | G | 81.3 | Confident | 67.4 | Low | 31 Ų | 31 | 107.1 Ų | 107.1 | 32% | 0.32 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.4 | -40 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1058 P1059 A1064 E1065 | N1058-G1061 CarbonylContact O-C 3.21Å; N1058-G1061 WeakPolarHBondContact O-CA 3.19Å; N1058-G1061 PolarHBondContact O-N 2.93Å; P1059-G1061 PolarHBondContact O-N 2.93Å; G1061-A1064 PolarHBondContact O-N 2.84Å; G1061-E1065 PolarHBondContact O-N 2.9Å; G1061-E1065 VanDerWaalsContact O-N 3.11Å |
| 1062 | K | 75.2 | Confident | 69 | Low | 134 Ų | 134 | 107.4 Ų | 107.4 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.7 | -39.9 | 172.7 | -171.8 | -175.5 | 175.3 | -168.9 | 0 | 111.5 | N1058 P1059 E1065 L1066 | N1058-K1062 PolarHBondContact O-N 3.48Å; P1059-K1062 PolarHBondContact O-N 2.91Å; K1062-E1065 PolarHBondContact O-N 3.16Å; K1062-L1066 WeakPolarHBondContact O-CG 3.26Å; K1062-L1066 PolarHBondContact O-N 2.93Å; K1062-L1066 VanDerWaalsContact O-N 3.1Å |
| 1063 | A | 75.8 | Confident | 70.5 | Confident | 44 Ų | 44 | 101.4 Ų | 101.4 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1059 Y1060 E1065 L1066 N1067 | P1059-A1063 WeakPolarHBondContact O-CB 3.16Å; P1059-A1063 PolarHBondContact O-N 3.18Å; Y1060-A1063 PolarHBondContact O-N 2.92Å; A1063-E1065 PolarHBondContact O-N 2.87Å; A1063-L1066 PolarHBondContact O-N 3.29Å; A1063-N1067 WeakPolarHBondContact O-CB 3.44Å; A1063-N1067 PolarHBondContact O-N 2.87Å; A1063-N1067 PolarHBondContact O-ND2 2.89Å |
| 1064 | A | 80 | Confident | 72.1 | Confident | 47 Ų | 47 | 96.3 Ų | 96.3 | 39% | 0.388 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1060 G1061 N1067 K1068 | Y1060-A1064 WeakPolarHBondContact O-CB 3.31Å; Y1060-A1064 PolarHBondContact O-N 3.19Å; G1061-A1064 PolarHBondContact O-N 2.84Å; A1064-N1067 PolarHBondContact O-N 3.36Å; A1064-K1068 PolarHBondContact O-N 3.41Å |
| 1065 | E | 77.7 | Confident | 73.9 | Confident | 100 Ų | 100 | 95.7 Ų | 95.7 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 177.5 | -172.1 | 54.5 | -137.6 | 0 | 0 | 112 | G1061 K1062 A1063 N1067 K1068 N1069 | G1061-E1065 PolarHBondContact O-N 2.9Å; G1061-E1065 VanDerWaalsContact O-N 3.11Å; K1062-E1065 PolarHBondContact O-N 3.16Å; A1063-E1065 PolarHBondContact O-N 2.87Å; E1065-N1067 VanDerWaalsContact C-N 3.32Å; E1065-N1067 PolarHBondContact O-N 2.95Å; E1065-K1068 WeakPolarHBondContact O-CB 3.25Å; E1065-K1068 PolarHBondContact O-N 3.49Å; E1065-K1068 VanDerWaalsContact O-N 3.12Å; E1065-N1069 PolarHBondContact O-N 3.4Å; E1065-N1069 PolarHBondContact O-ND2 3.07Å; E1065-N1069 PolarHBondContact OE1-ND2 3.08Å |
| 1066 | L | 75.7 | Confident | 75.4 | Confident | 86 Ų | 86 | 92.5 Ų | 92.5 | 45% | 0.45 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 173.3 | -70.9 | 169.5 | 0 | 0 | 0 | 111.1 | K1062 A1063 K1068 N1069 L1070 | K1062-L1066 WeakPolarHBondContact O-CG 3.26Å; K1062-L1066 PolarHBondContact O-N 2.93Å; K1062-L1066 VanDerWaalsContact O-N 3.1Å; A1063-L1066 PolarHBondContact O-N 3.29Å; L1066-K1068 VanDerWaalsContact C-N 3.25Å; L1066-K1068 PolarHBondContact O-N 3.05Å; L1066-N1069 PolarHBondContact O-N 2.87Å; L1066-L1070 WeakPolarHBondContact O-CB 3.41Å; L1066-L1070 PolarHBondContact O-N 3.26Å |
| 1067 | N | 78.4 | Confident | 77 | Confident | 63 Ų | 63 | 84.9 Ų | 84.9 | 34% | 0.337 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.2 | -26.8 | 176.5 | -87.5 | -94.2 | 0 | 0 | 0 | 113.9 | A1063 A1064 E1065 L1070 R1071 | A1063-N1067 WeakPolarHBondContact O-CB 3.44Å; A1063-N1067 PolarHBondContact O-N 2.87Å; A1063-N1067 PolarHBondContact O-ND2 2.89Å; A1064-N1067 PolarHBondContact O-N 3.36Å; E1065-N1067 VanDerWaalsContact C-N 3.32Å; E1065-N1067 PolarHBondContact O-N 2.95Å; N1067-L1070 WeakPolarHBondContact O-CB 2.94Å; N1067-R1071 WeakPolarHBondContact O-CG 3.39Å; N1067-R1071 PolarHBondContact O-N 2.68Å; N1067-R1071 PolarHBondContact O-NE 3.11Å; N1067-R1071 PolarHBondContact O-NH2 3.48Å |
| 1068 | K | 81.8 | Confident | 77.8 | Confident | 91 Ų | 91 | 82.7 Ų | 82.7 | 40% | 0.396 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.7 | -53.2 | 174.5 | -174.9 | -177.3 | 177.8 | -174 | 0 | 111.1 | A1064 E1065 L1066 L1070 R1071 E1072 | A1064-K1068 PolarHBondContact O-N 3.41Å; E1065-K1068 WeakPolarHBondContact O-CB 3.25Å; E1065-K1068 PolarHBondContact O-N 3.49Å; E1065-K1068 VanDerWaalsContact O-N 3.12Å; L1066-K1068 VanDerWaalsContact C-N 3.25Å; L1066-K1068 PolarHBondContact O-N 3.05Å; K1068-L1070 PolarHBondContact O-N 3.24Å; K1068-R1071 PolarHBondContact O-N 3.48Å; K1068-R1071 VanDerWaalsContact O-N 3.12Å; K1068-E1072 PolarHBondContact O-N 2.94Å; K1068-E1072 VanDerWaalsContact O-N 3.1Å |
| 1069 | N | 75.8 | Confident | 78.3 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 44% | 0.444 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.1 | -34.5 | 177.1 | -69.4 | -90.6 | 0 | 0 | 0 | 111.8 | E1065 L1066 L1073 | E1065-N1069 PolarHBondContact O-N 3.4Å; E1065-N1069 PolarHBondContact O-ND2 3.07Å; E1065-N1069 PolarHBondContact OE1-ND2 3.08Å; L1066-N1069 PolarHBondContact O-N 2.87Å; N1069-L1073 VanDerWaalsContact O-CB 3.31Å; N1069-L1073 WeakPolarHBondContact O-CB 3.43Å; N1069-L1073 PolarHBondContact O-N 3.43Å |
| 1070 | L | 74.8 | Confident | 78.8 | Confident | 21 Ų | 21 | 82.7 Ų | 82.7 | 11% | 0.11 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -56.1 | -54.8 | 169.7 | -109.6 | 51.1 | 0 | 0 | 0 | 113.2 | L1066 N1067 K1068 E1072 L1073 V1074 Y1181 | L1066-L1070 WeakPolarHBondContact O-CB 3.41Å; L1066-L1070 PolarHBondContact O-N 3.26Å; N1067-L1070 WeakPolarHBondContact O-CB 2.94Å; K1068-L1070 PolarHBondContact O-N 3.24Å; L1070-E1072 VanDerWaalsContact C-N 3.33Å; L1070-E1072 PolarHBondContact O-N 3.34Å; L1070-L1073 PolarHBondContact O-N 3.11Å; L1070-V1074 WeakPolarHBondContact O-CG2 3.45Å; L1070-V1074 PolarHBondContact O-N 3.41Å; L1070-Y1181 WeakPolarHBondContact CD1-O 3.45Å; L1070-Y1181 WeakPolarHBondContact CD2-O 3.21Å; L1070-Y1181 WeakPolarHBondContact CG-O 3.07Å |
| 1071 | R | 77 | Confident | 79.1 | Confident | 137 Ų | 137 | 80.4 Ų | 80.4 | 52% | 0.517 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | -178.6 | -77.8 | -179.2 | -78.1 | -93.8 | 4.4 | 111.4 | N1067 K1068 L1073 V1074 N1075 | N1067-R1071 WeakPolarHBondContact O-CG 3.39Å; N1067-R1071 PolarHBondContact O-N 2.68Å; N1067-R1071 PolarHBondContact O-NE 3.11Å; N1067-R1071 PolarHBondContact O-NH2 3.48Å; K1068-R1071 PolarHBondContact O-N 3.48Å; K1068-R1071 VanDerWaalsContact O-N 3.12Å; R1071-L1073 PolarHBondContact O-N 3.25Å; R1071-V1074 PolarHBondContact O-N 3.46Å; R1071-N1075 WeakPolarHBondContact O-CB 3.27Å; R1071-N1075 PolarHBondContact O-N 2.86Å; R1071-N1075 PolarHBondContact O-OD1 2.87Å |
| 1072 | E | 79.3 | Confident | 79.3 | Confident | 112 Ų | 112 | 81.3 Ų | 81.3 | 52% | 0.523 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 174.4 | -172.4 | 179.9 | 158.4 | 0 | 0 | 112.1 | K1068 L1070 V1074 N1075 N1076 | K1068-E1072 PolarHBondContact O-N 2.94Å; K1068-E1072 VanDerWaalsContact O-N 3.1Å; L1070-E1072 VanDerWaalsContact C-N 3.33Å; L1070-E1072 PolarHBondContact O-N 3.34Å; E1072-V1074 PolarHBondContact O-N 3.26Å; E1072-N1075 PolarHBondContact O-N 2.78Å; E1072-N1076 PolarHBondContact O-N 3.06Å; E1072-N1076 PolarHBondContact O-ND2 3.19Å |
| 1073 | L | 75.9 | Confident | 79.8 | Confident | 60 Ų | 60 | 83.9 Ų | 83.9 | 31% | 0.314 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -73 | -27 | -179 | -172 | 52.7 | 0 | 0 | 0 | 113.4 | N1069 L1070 R1071 Y1181 | N1069-L1073 VanDerWaalsContact O-CB 3.31Å; N1069-L1073 WeakPolarHBondContact O-CB 3.43Å; N1069-L1073 PolarHBondContact O-N 3.43Å; L1070-L1073 PolarHBondContact O-N 3.11Å; R1071-L1073 PolarHBondContact O-N 3.25Å; L1073-Y1181 HydrophobicContact CD1-CE1 4.46Å; L1073-Y1181 HydrophobicContact CD2-CD1 3.65Å; L1073-Y1181 HydrophobicContact CD2-CE1 3.23Å; L1073-Y1181 HydrophobicContact CD2-CE2 4.48Å; L1073-Y1181 HydrophobicContact CD2-CG 4.43Å; L1073-Y1181 HydrophobicContact CG-CD1 3.98Å; L1073-Y1181 HydrophobicContact CG-CD2 4.28Å; L1073-Y1181 HydrophobicContact CG-CE1 3.59Å; L1073-Y1181 HydrophobicContact CG-CE2 3.91Å; L1073-Y1181 HydrophobicContact CG-CG 4.32Å |
| 1074 | V | 78 | Confident | 80.4 | Confident | 29 Ų | 29 | 84.3 Ų | 84.3 | 18% | 0.176 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -70.9 | -45.5 | 168.2 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | L1070 R1071 E1072 N1076 L1077 Y1181 | L1070-V1074 WeakPolarHBondContact O-CG2 3.45Å; L1070-V1074 PolarHBondContact O-N 3.41Å; R1071-V1074 PolarHBondContact O-N 3.46Å; E1072-V1074 PolarHBondContact O-N 3.26Å; V1074-N1076 PolarHBondContact O-N 3.09Å; V1074-L1077 WeakPolarHBondContact O-CB 3.4Å; V1074-L1077 PolarHBondContact O-N 3.14Å; V1074-Y1181 HydrophobicContact CG2-CD2 3.99Å; V1074-Y1181 HydrophobicContact CG2-CG 4.3Å |
| 1075 | N | 80 | Confident | 80.7 | Confident | 131 Ų | 131 | 82.8 Ų | 82.8 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.7 | -26.9 | 178.6 | -68.9 | -3 | 0 | 0 | 0 | 112.8 | R1071 E1072 L1077 | R1071-N1075 WeakPolarHBondContact O-CB 3.27Å; R1071-N1075 PolarHBondContact O-N 2.86Å; R1071-N1075 PolarHBondContact O-OD1 2.87Å; E1072-N1075 PolarHBondContact O-N 2.78Å; N1075-L1077 VanDerWaalsContact C-N 3.31Å; N1075-L1077 PolarHBondContact O-N 3.4Å |
| 1076 | N | 79.9 | Confident | 81 | Confident | 99 Ų | 99 | 83.6 Ų | 83.6 | 53% | 0.529 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -3 | 175.5 | -81 | -61.3 | 0 | 0 | 0 | 114.6 | E1072 V1074 Q1169 | E1072-N1076 PolarHBondContact O-N 3.06Å; E1072-N1076 PolarHBondContact O-ND2 3.19Å; V1074-N1076 PolarHBondContact O-N 3.09Å; N1076-Q1169 PolarHBondContact O-NE2 2.84Å |
| 1077 | L | 80.6 | Confident | 81.4 | Confident | 17 Ų | 17 | 80.1 Ų | 80.1 | 9% | 0.089 | 42% | 0.417 | C | S | . | . | trans | -83.2 | 137.8 | 171 | -65.5 | 176.9 | 0 | 0 | 0 | 110.7 | V1074 N1075 K1171 Y1173 I1178 Y1181 | V1074-L1077 WeakPolarHBondContact O-CB 3.4Å; V1074-L1077 PolarHBondContact O-N 3.14Å; N1075-L1077 VanDerWaalsContact C-N 3.31Å; N1075-L1077 PolarHBondContact O-N 3.4Å; L1077-K1171 HydrophobicContact CD2-CB 4.46Å; L1077-Y1173 HydrophobicContact CB-CD2 3.64Å; L1077-Y1173 HydrophobicContact CB-CE2 4.43Å; L1077-Y1173 HydrophobicContact CB-CG 4.43Å; L1077-I1178 HydrophobicContact CD1-CG1 4.21Å; L1077-Y1181 HydrophobicContact CD1-CD2 4.14Å; L1077-Y1181 HydrophobicContact CD1-CE2 3.85Å; L1077-Y1181 HydrophobicContact CD2-CE2 4.18Å; L1077-Y1181 HydrophobicContact CG-CE2 4.12Å | ||
| 1078 | V | 81.6 | Confident | 81.9 | Confident | 89 Ų | 89 | 81.2 Ų | 81.2 | 54% | 0.539 | 42% | 0.417 | S | S | . | . | trans | -123.9 | 144 | -179.1 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | V1080 Q1169 Y1173 | V1078-V1080 VanDerWaalsContact C-N 3.31Å; V1078-V1080 PolarHBondContact O-N 2.85Å; V1078-Q1169 PolarHBondContact O-OE1 3.11Å; V1078-Y1173 WeakPolarHBondContact O-CB 3.22Å | ||
| 1079 | K | 84 | Confident | 82.3 | Confident | 138 Ų | 138 | 83.5 Ų | 83.5 | 60% | 0.6 | 43% | 0.429 | S | S | * | . | trans | -70.5 | 81.2 | -179.9 | -165.2 | -170.9 | -175.2 | -168.5 | 0 | 111.4 | H1081 | K1079-H1081 WeakPolarHBondContact CD-NE2 3.25Å; K1079-H1081 WeakPolarHBondContact CE-NE2 3.27Å; K1079-H1081 PolarHBondContact O-CD2 2.94Å; K1079-H1081 PolarHBondContact O-N 3.47Å | ||
| 1080 | V | 83.8 | Confident | 83 | Confident | 36 Ų | 36 | 83.3 Ų | 83.3 | 22% | 0.218 | 43% | 0.428 | C | S | . | . | trans | -72.5 | 122.9 | 178.2 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | V1078 A1163 L1164 A1167 | V1078-V1080 VanDerWaalsContact C-N 3.31Å; V1078-V1080 PolarHBondContact O-N 2.85Å; V1080-A1163 HydrophobicContact CG1-CB 3.6Å; V1080-L1164 HydrophobicContact CB-CD2 4.08Å; V1080-L1164 HydrophobicContact CG1-CD2 4.3Å; V1080-L1164 HydrophobicContact CG2-CD2 4.08Å; V1080-A1167 HydrophobicContact CG2-CB 3.46Å; V1080-A1167 VanDerWaalsContact CG2-CB 3.46Å | ||
| 1081 | H | 83.6 | Confident | 83.8 | Confident | 140 Ų | 140 | 82.8 Ų | 82.8 | 65% | 0.648 | 43% | 0.425 | S | S | * | . | trans | -106.4 | 106.5 | 174.2 | -78.1 | -87.7 | 0 | 0 | 0 | 110.6 | K1079 | K1079-H1081 WeakPolarHBondContact CD-NE2 3.25Å; K1079-H1081 WeakPolarHBondContact CE-NE2 3.27Å; K1079-H1081 PolarHBondContact O-CD2 2.94Å; K1079-H1081 PolarHBondContact O-N 3.47Å | ||
| 1082 | P | 87 | Confident | 84.4 | Confident | 51 Ų | 51 | 77 Ų | 77 | 33% | 0.331 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 140.2 | 176.1 | -17.8 | 32.1 | 0 | 0 | 0 | 111.7 | T1160 A1163 | P1082-T1160 HydrophobicContact CG-CG2 4.18Å; P1082-A1163 HydrophobicContact CB-CB 3.97Å; P1082-A1163 HydrophobicContact CG-CB 4.1Å |
| 1083 | K | 85.9 | Confident | 85 | Confident | 187 Ų | 187 | 74.4 Ų | 74.4 | 81% | 0.813 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 129.5 | 172.3 | -175.4 | 172.5 | -179.8 | 173.6 | 0 | 110.2 | ||
| 1084 | A | 87 | Confident | 85.7 | Confident | 53 Ų | 53 | 73.5 Ų | 73.5 | 44% | 0.438 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -61 | 153.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1088 | A1084-Y1088 HydrophobicContact CB-CD1 3.85Å; A1084-Y1088 HydrophobicContact CB-CG 3.93Å |
| 1085 | P | 87.9 | Confident | 86.2 | Confident | 16 Ų | 16 | 74.6 Ų | 74.6 | 10% | 0.104 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 159.6 | 170.1 | -18.1 | 26.5 | 0 | 0 | 0 | 114 | G1087 Y1088 Y1091 V1155 L1156 Q1159 | P1085-G1087 PolarHBondContact O-N 3.25Å; P1085-Y1088 HydrophobicContact CG-CD2 4.08Å; P1085-Y1088 WeakPolarHBondContact O-CB 3.48Å; P1085-Y1088 PolarHBondContact O-N 3.45Å; P1085-Y1091 HydrophobicContact CB-CE1 4.22Å; P1085-Y1091 HydrophobicContact CB-CE2 4.31Å; P1085-Y1091 VanDerWaalsContact CB-OH 3.28Å; P1085-Y1091 WeakPolarHBondContact CB-OH 3.41Å; P1085-Y1091 HydrophobicContact CG-CE2 3.82Å; P1085-V1155 HydrophobicContact CG-CG1 4.29Å; P1085-L1156 HydrophobicContact CG-CD2 3.77Å; P1085-Q1159 VanDerWaalsContact CG-OE1 3.27Å |
| 1086 | C | 82.6 | Confident | 86.6 | Confident | 116 Ų | 116 | 76.3 Ų | 76.3 | 78% | 0.784 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 134.5 | 158.1 | -169.4 | 0 | 0 | 0 | 0 | 108.7 | Y1088 | C1086-Y1088 VanDerWaalsContact C-N 3.31Å; C1086-Y1088 PolarHBondContact O-N 3.06Å |
| 1087 | G | 84.2 | Confident | 86.8 | Confident | 14 Ų | 14 | 75.6 Ų | 75.6 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 16.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P1085 Q1089 D1090 Y1091 H1290 | P1085-G1087 PolarHBondContact O-N 3.25Å; G1087-Q1089 VanDerWaalsContact C-N 3.26Å; G1087-Q1089 PolarHBondContact O-N 2.93Å; G1087-D1090 VanDerWaalsContact CA-OD2 3.23Å; G1087-D1090 WeakPolarHBondContact CA-OD2 3.35Å; G1087-D1090 WeakPolarHBondContact O-CB 3.33Å; G1087-D1090 PolarHBondContact O-N 3.33Å; G1087-Y1091 WeakPolarHBondContact O-CD1 3.06Å; G1087-Y1091 PolarHBondContact O-N 2.99Å; G1087-H1290 WeakPolarHBondContact CA-NE2 3.19Å |
| 1088 | Y | 89.7 | Confident | 87.1 | Confident | 85 Ų | 85 | 77.3 Ų | 77.3 | 33% | 0.333 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -56.6 | -34.9 | -176.1 | 179.8 | -118.5 | 0 | 0 | 0 | 114.4 | A1084 P1085 C1086 D1090 Y1091 V1094 L1156 | A1084-Y1088 HydrophobicContact CB-CD1 3.85Å; A1084-Y1088 HydrophobicContact CB-CG 3.93Å; P1085-Y1088 HydrophobicContact CG-CD2 4.08Å; P1085-Y1088 WeakPolarHBondContact O-CB 3.48Å; P1085-Y1088 PolarHBondContact O-N 3.45Å; C1086-Y1088 VanDerWaalsContact C-N 3.31Å; C1086-Y1088 PolarHBondContact O-N 3.06Å; Y1088-D1090 PolarHBondContact O-N 3.09Å; Y1088-Y1091 HydrophobicContact CD2-CD2 4.06Å; Y1088-Y1091 HydrophobicContact CD2-CE2 4.48Å; Y1088-Y1091 HydrophobicContact CD2-CG 4.35Å; Y1088-Y1091 WeakPolarHBondContact O-CB 3.47Å; Y1088-Y1091 PolarHBondContact O-N 3.49Å; Y1088-V1094 HydrophobicContact CD1-CG2 4.41Å; Y1088-V1094 HydrophobicContact CD2-CG2 4.02Å; Y1088-V1094 HydrophobicContact CE1-CG2 3.96Å; Y1088-V1094 HydrophobicContact CE2-CG2 3.52Å; Y1088-V1094 HydrophobicContact CG-CG2 4.44Å; Y1088-V1094 VanDerWaalsContact CZ-CG2 3.49Å; Y1088-V1094 VanDerWaalsContact O-CG2 3.29Å; Y1088-V1094 WeakPolarHBondContact O-CG2 3.18Å; Y1088-L1156 HydrophobicContact CD2-CD2 4.01Å; Y1088-L1156 HydrophobicContact CE2-CD1 4.07Å; Y1088-L1156 HydrophobicContact CE2-CD2 3.69Å |
| 1089 | Q | 89.3 | Confident | 87.1 | Confident | 139 Ų | 139 | 73.8 Ų | 73.8 | 65% | 0.65 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -68 | -23.4 | 177.9 | -58.2 | -63.9 | 4.2 | 0 | 0 | 112.6 | G1087 T1095 | G1087-Q1089 VanDerWaalsContact C-N 3.26Å; G1087-Q1089 PolarHBondContact O-N 2.93Å; Q1089-T1095 VanDerWaalsContact O-CG2 3.24Å; Q1089-T1095 WeakPolarHBondContact O-CG2 3.31Å |
| 1090 | D | 90.2 | Very high | 86.5 | Confident | 79 Ų | 79 | 70.9 Ų | 70.9 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -89 | -7.6 | -179.1 | -41.2 | -57.6 | 0 | 0 | 0 | 112.1 | G1087 Y1088 A1289 H1290 | G1087-D1090 VanDerWaalsContact CA-OD2 3.23Å; G1087-D1090 WeakPolarHBondContact CA-OD2 3.35Å; G1087-D1090 WeakPolarHBondContact O-CB 3.33Å; G1087-D1090 PolarHBondContact O-N 3.33Å; Y1088-D1090 PolarHBondContact O-N 3.09Å; D1090-A1289 HydrophobicContact CB-CB 3.42Å; D1090-A1289 VanDerWaalsContact CB-CB 3.42Å; D1090-H1290 IonicContact OD2-CD2 2.65Å; D1090-H1290 IonicContact OD2-CE1 2.72Å; D1090-H1290 IonicContact OD2-NE2 2.79Å; D1090-H1290 PolarHBondContact OD2-NE2 3.17Å |
| 1091 | Y | 92.2 | Very high | 85.5 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 4% | 0.043 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -61.6 | 143.8 | 179.4 | -83.7 | 26.7 | 0 | 0 | 0 | 110.7 | P1085 G1087 Y1088 L1093 V1094 T1095 E1152 | P1085-Y1091 HydrophobicContact CB-CE1 4.22Å; P1085-Y1091 HydrophobicContact CB-CE2 4.31Å; P1085-Y1091 VanDerWaalsContact CB-OH 3.28Å; P1085-Y1091 WeakPolarHBondContact CB-OH 3.41Å; P1085-Y1091 HydrophobicContact CG-CE2 3.82Å; G1087-Y1091 WeakPolarHBondContact O-CD1 3.06Å; G1087-Y1091 PolarHBondContact O-N 2.99Å; Y1088-Y1091 HydrophobicContact CD2-CD2 4.06Å; Y1088-Y1091 HydrophobicContact CD2-CE2 4.48Å; Y1088-Y1091 HydrophobicContact CD2-CG 4.35Å; Y1088-Y1091 WeakPolarHBondContact O-CB 3.47Å; Y1088-Y1091 PolarHBondContact O-N 3.49Å; Y1091-L1093 PolarHBondContact O-N 3.36Å; Y1091-V1094 PolarHBondContact O-N 3.06Å; Y1091-T1095 PolarHBondContact O-N 3.01Å; Y1091-T1095 PolarHBondContact O-OG1 3.16Å; Y1091-E1152 WeakPolarHBondContact CA-OE1 3.26Å; Y1091-E1152 WeakPolarHBondContact CB-OE2 3.35Å; Y1091-E1152 HydrophobicContact CD1-CG 4.48Å; Y1091-E1152 HydrophobicContact CD2-CB 3.59Å; Y1091-E1152 HydrophobicContact CD2-CG 3.6Å; Y1091-E1152 HydrophobicContact CE2-CB 3.77Å; Y1091-E1152 HydrophobicContact CE2-CG 3.85Å; Y1091-E1152 HydrophobicContact CG-CB 4.38Å; Y1091-E1152 HydrophobicContact CG-CG 3.92Å |
| 1092 | L | 90.7 | Very high | 84.6 | Confident | 16 Ų | 16 | 71.1 Ų | 71.1 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -31.4 | 177.7 | -161 | 53 | 0 | 0 | 0 | 111.4 | V1094 R1096 Y1098 E1145 Q1148 L1149 E1152 | L1092-V1094 VanDerWaalsContact C-N 3.27Å; L1092-V1094 PolarHBondContact O-N 3.39Å; L1092-R1096 WeakPolarHBondContact O-CA 3.34Å; L1092-R1096 PolarHBondContact O-N 3.45Å; L1092-Y1098 HydrophobicContact CD1-CD1 4.09Å; L1092-Y1098 HydrophobicContact CD1-CG 4.49Å; L1092-Y1098 HydrophobicContact CG-CD1 3.84Å; L1092-Y1098 HydrophobicContact CG-CG 4.38Å; L1092-Y1098 WeakPolarHBondContact O-CD1 3.5Å; L1092-Y1098 WeakPolarHBondContact O-CE1 3.36Å; L1092-E1145 HydrophobicContact CD2-CB 3.87Å; L1092-E1145 HydrophobicContact CD2-CG 4.08Å; L1092-Q1148 HydrophobicContact CB-CG 4.14Å; L1092-Q1148 HydrophobicContact CD2-CB 4.28Å; L1092-Q1148 HydrophobicContact CD2-CG 3.99Å; L1092-L1149 HydrophobicContact CB-CD2 3.79Å; L1092-L1149 HydrophobicContact CB-CG 4.37Å; L1092-L1149 HydrophobicContact CD2-CD2 4.38Å; L1092-L1149 HydrophobicContact CD2-CG 4.15Å; L1092-L1149 HydrophobicContact CG-CD2 3.91Å; L1092-L1149 HydrophobicContact CG-CG 4.21Å; L1092-E1152 WeakPolarHBondContact CB-OE1 3.45Å; L1092-E1152 PolarHBondContact N-OE1 3.46Å; L1092-E1152 PolarHBondContact N-OE2 3.38Å |
| 1093 | L | 90.2 | Very high | 83.7 | Confident | 56 Ų | 56 | 72.9 Ų | 72.9 | 29% | 0.293 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.7 | -28.3 | 168.9 | -75.5 | 172.3 | 0 | 0 | 0 | 114.6 | Y1091 L1149 E1152 Q1153 L1156 | Y1091-L1093 PolarHBondContact O-N 3.36Å; L1093-L1149 HydrophobicContact CB-CD2 4.37Å; L1093-L1149 HydrophobicContact CD2-CD2 3.73Å; L1093-L1149 HydrophobicContact CG-CD2 3.75Å; L1093-E1152 HydrophobicContact CD1-CB 3.7Å; L1093-E1152 HydrophobicContact CG-CB 4.25Å; L1093-E1152 PolarHBondContact N-OE2 2.87Å; L1093-Q1153 HydrophobicContact CD1-CB 4.03Å; L1093-L1156 HydrophobicContact CD1-CD1 3.71Å |
| 1094 | V | 90.5 | Very high | 83 | Confident | 42 Ų | 42 | 68 Ų | 68 | 26% | 0.255 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -100.9 | -47.4 | -173.5 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | Y1088 Y1091 L1092 R1096 | Y1088-V1094 HydrophobicContact CD1-CG2 4.41Å; Y1088-V1094 HydrophobicContact CD2-CG2 4.02Å; Y1088-V1094 HydrophobicContact CE1-CG2 3.96Å; Y1088-V1094 HydrophobicContact CE2-CG2 3.52Å; Y1088-V1094 HydrophobicContact CG-CG2 4.44Å; Y1088-V1094 VanDerWaalsContact CZ-CG2 3.49Å; Y1088-V1094 VanDerWaalsContact O-CG2 3.29Å; Y1088-V1094 WeakPolarHBondContact O-CG2 3.18Å; Y1091-V1094 PolarHBondContact O-N 3.06Å; L1092-V1094 VanDerWaalsContact C-N 3.27Å; L1092-V1094 PolarHBondContact O-N 3.39Å; V1094-R1096 VanDerWaalsContact C-N 3.29Å; V1094-R1096 PolarHBondContact O-N 3.04Å |
| 1095 | T | 89.4 | Confident | 82 | Confident | 51 Ų | 51 | 70.3 Ų | 70.3 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.3 | -29.3 | 175.5 | 58 | 0 | 0 | 0 | 0 | 112.9 | Q1089 Y1091 N1097 | Q1089-T1095 VanDerWaalsContact O-CG2 3.24Å; Q1089-T1095 WeakPolarHBondContact O-CG2 3.31Å; Y1091-T1095 PolarHBondContact O-N 3.01Å; Y1091-T1095 PolarHBondContact O-OG1 3.16Å; T1095-N1097 PolarHBondContact O-N 3Å; T1095-N1097 VanDerWaalsContact O-N 3.11Å; T1095-N1097 PolarHBondContact O-OD1 3.32Å |
| 1096 | R | 87.6 | Confident | 81.3 | Confident | 168 Ų | 168 | 72.8 Ų | 72.8 | 63% | 0.634 | 38% | 0.383 | S | S | * | . | trans | 60.1 | 12 | -177.9 | -56.2 | 177.8 | -174.2 | 174.9 | 3.1 | 115.5 | L1092 V1094 Y1098 | L1092-R1096 WeakPolarHBondContact O-CA 3.34Å; L1092-R1096 PolarHBondContact O-N 3.45Å; V1094-R1096 VanDerWaalsContact C-N 3.29Å; V1094-R1096 PolarHBondContact O-N 3.04Å; R1096-Y1098 HydrophobicContact CB-CE1 4.23Å; R1096-Y1098 PolarHBondContact O-N 3.48Å | ||
| 1097 | N | 84.9 | Confident | 81.1 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | trans | -80 | 57.8 | -176.7 | -68.5 | -28.7 | 0 | 0 | 0 | 112.1 | T1095 F1106 | T1095-N1097 PolarHBondContact O-N 3Å; T1095-N1097 VanDerWaalsContact O-N 3.11Å; T1095-N1097 PolarHBondContact O-OD1 3.32Å; N1097-F1106 HydrophobicContact CB-CD1 4.2Å; N1097-F1106 HydrophobicContact CB-CE1 3.66Å; N1097-F1106 HydrophobicContact CB-CE2 4.18Å; N1097-F1106 HydrophobicContact CB-CZ 3.65Å; N1097-F1106 VanDerWaalsContact OD1-CZ 3.23Å; N1097-F1106 WeakPolarHBondContact OD1-CZ 3.49Å | ||
| 1098 | Y | 85.8 | Confident | 81 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 21% | 0.212 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -127.5 | 148.1 | -175.3 | 51.4 | -109.8 | 0 | 0 | 0 | 112.8 | L1092 R1096 L1100 A1101 L1149 | L1092-Y1098 HydrophobicContact CD1-CD1 4.09Å; L1092-Y1098 HydrophobicContact CD1-CG 4.49Å; L1092-Y1098 HydrophobicContact CG-CD1 3.84Å; L1092-Y1098 HydrophobicContact CG-CG 4.38Å; L1092-Y1098 WeakPolarHBondContact O-CD1 3.5Å; L1092-Y1098 WeakPolarHBondContact O-CE1 3.36Å; R1096-Y1098 HydrophobicContact CB-CE1 4.23Å; R1096-Y1098 PolarHBondContact O-N 3.48Å; Y1098-L1100 HydrophobicContact CD2-CB 3.59Å; Y1098-L1100 HydrophobicContact CD2-CG 4.35Å; Y1098-L1100 HydrophobicContact CE2-CB 3.87Å; Y1098-L1100 PolarHBondContact O-N 3.36Å; Y1098-A1101 HydrophobicContact CD2-CB 4.17Å; Y1098-A1101 HydrophobicContact CE2-CB 4.14Å; Y1098-A1101 WeakPolarHBondContact O-CB 3.45Å; Y1098-A1101 PolarHBondContact O-N 3.36Å; Y1098-L1149 HydrophobicContact CD1-CD1 4.2Å; Y1098-L1149 HydrophobicContact CD1-CD2 4.05Å; Y1098-L1149 HydrophobicContact CE1-CD1 4.35Å; Y1098-L1149 HydrophobicContact CE1-CD2 4Å; Y1098-L1149 HydrophobicContact CG-CD1 4.32Å |
| 1099 | L | 81.6 | Confident | 80.8 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -60.8 | -25 | 178.9 | -72.3 | 177.5 | 0 | 0 | 0 | 113.8 | A1101 N1102 F1106 A1107 L1138 Q1141 E1145 | L1099-A1101 PolarHBondContact O-N 3.07Å; L1099-A1101 VanDerWaalsContact O-N 3.08Å; L1099-N1102 WeakPolarHBondContact O-CA 3.25Å; L1099-N1102 PolarHBondContact O-N 3.32Å; L1099-F1106 HydrophobicContact CD2-CB 4.24Å; L1099-A1107 HydrophobicContact CD2-CB 4.19Å; L1099-L1138 HydrophobicContact CD1-CD1 3.61Å; L1099-L1138 HydrophobicContact CD1-CG 4.2Å; L1099-L1138 HydrophobicContact CD2-CD1 3.9Å; L1099-L1138 HydrophobicContact CG-CD1 4.38Å; L1099-Q1141 HydrophobicContact CD1-CB 3.68Å; L1099-Q1141 HydrophobicContact CD1-CG 3.6Å; L1099-Q1141 HydrophobicContact CG-CG 4.5Å; L1099-E1145 WeakPolarHBondContact CB-OE2 3.35Å; L1099-E1145 PolarHBondContact N-OE2 3.08Å |
| 1100 | L | 72.5 | Confident | 80.6 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 41% | 0.408 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -61.7 | -13.7 | 175 | -51.7 | 175 | 0 | 0 | 0 | 113.1 | Y1098 N1102 H1146 L1149 | Y1098-L1100 HydrophobicContact CD2-CB 3.59Å; Y1098-L1100 HydrophobicContact CD2-CG 4.35Å; Y1098-L1100 HydrophobicContact CE2-CB 3.87Å; Y1098-L1100 PolarHBondContact O-N 3.36Å; L1100-N1102 PolarHBondContact O-N 2.97Å; L1100-H1146 HydrophobicContact CD1-CB 4.48Å; L1100-L1149 HydrophobicContact CD1-CD1 3.66Å |
| 1101 | A | 62 | Low | 80.5 | Confident | 45 Ų | 45 | 69.2 Ų | 69.2 | 37% | 0.372 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -80 | 6.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1098 L1099 Q1103 | Y1098-A1101 HydrophobicContact CD2-CB 4.17Å; Y1098-A1101 HydrophobicContact CE2-CB 4.14Å; Y1098-A1101 WeakPolarHBondContact O-CB 3.45Å; Y1098-A1101 PolarHBondContact O-N 3.36Å; L1099-A1101 PolarHBondContact O-N 3.07Å; L1099-A1101 VanDerWaalsContact O-N 3.08Å; A1101-Q1103 HydrophobicContact CB-CB 4.42Å; A1101-Q1103 HydrophobicContact CB-CG 4.06Å; A1101-Q1103 PolarHBondContact O-N 3.41Å |
| 1102 | N | 65 | Low | 80.3 | Confident | 135 Ų | 135 | 73.6 Ų | 73.6 | 72% | 0.722 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 21.9 | -169.8 | -158.4 | 42.3 | 0 | 0 | 0 | 114.2 | L1099 L1100 L1104 | L1099-N1102 WeakPolarHBondContact O-CA 3.25Å; L1099-N1102 PolarHBondContact O-N 3.32Å; L1100-N1102 PolarHBondContact O-N 2.97Å; N1102-L1104 WeakPolarHBondContact O-CD1 3.49Å; N1102-L1104 PolarHBondContact O-N 3.31Å |
| 1103 | Q | 68 | Low | 80.1 | Confident | 88 Ų | 88 | 77.6 Ų | 77.6 | 41% | 0.411 | 42% | 0.415 | S | S | . | . | trans | -90.4 | 83 | -178.9 | -73.6 | 173.1 | -25.2 | 0 | 0 | 110.1 | A1101 S1105 F1106 | A1101-Q1103 HydrophobicContact CB-CB 4.42Å; A1101-Q1103 HydrophobicContact CB-CG 4.06Å; A1101-Q1103 PolarHBondContact O-N 3.41Å; Q1103-S1105 PolarHBondContact O-N 2.84Å; Q1103-F1106 HydrophobicContact CB-CD2 3.78Å; Q1103-F1106 HydrophobicContact CB-CE2 3.95Å; Q1103-F1106 PolarHBondContact O-N 3.15Å | ||
| 1104 | L | 71.8 | Confident | 80 | Confident | 86 Ų | 86 | 77 Ų | 77 | 45% | 0.45 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -56 | -15.9 | 179.9 | -84.7 | 66 | 0 | 0 | 0 | 113.8 | N1102 F1106 A1107 | N1102-L1104 WeakPolarHBondContact O-CD1 3.49Å; N1102-L1104 PolarHBondContact O-N 3.31Å; L1104-F1106 PolarHBondContact O-N 3.45Å; L1104-F1106 VanDerWaalsContact O-N 3.15Å; L1104-A1107 WeakPolarHBondContact O-CB 3.41Å; L1104-A1107 PolarHBondContact O-N 3.5Å |
| 1105 | S | 66.6 | Low | 79.7 | Confident | 100 Ų | 100 | 76.3 Ų | 76.3 | 70% | 0.699 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -55.7 | -22.4 | 170 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | Q1103 | Q1103-S1105 PolarHBondContact O-N 2.84Š|
| 1106 | F | 73.5 | Confident | 79.3 | Confident | 68 Ų | 68 | 79.8 Ų | 79.8 | 30% | 0.298 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -92.3 | 1.9 | 175.8 | -60.7 | -65.5 | 0 | 0 | 0 | 113.8 | N1097 L1099 Q1103 L1104 T1108 Q1141 | N1097-F1106 HydrophobicContact CB-CD1 4.2Å; N1097-F1106 HydrophobicContact CB-CE1 3.66Å; N1097-F1106 HydrophobicContact CB-CE2 4.18Å; N1097-F1106 HydrophobicContact CB-CZ 3.65Å; N1097-F1106 VanDerWaalsContact OD1-CZ 3.23Å; N1097-F1106 WeakPolarHBondContact OD1-CZ 3.49Å; L1099-F1106 HydrophobicContact CD2-CB 4.24Å; Q1103-F1106 HydrophobicContact CB-CD2 3.78Å; Q1103-F1106 HydrophobicContact CB-CE2 3.95Å; Q1103-F1106 PolarHBondContact O-N 3.15Å; L1104-F1106 PolarHBondContact O-N 3.45Å; L1104-F1106 VanDerWaalsContact O-N 3.15Å; F1106-T1108 PolarHBondContact O-N 3.15Å; F1106-Q1141 PolarHBondContact O-NE2 2.97Å |
| 1107 | A | 77.9 | Confident | 78.9 | Confident | 24 Ų | 24 | 77.5 Ų | 77.5 | 20% | 0.198 | 43% | 0.434 | C | S | . | . | trans | -66.4 | 118.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1099 L1104 Y1109 L1138 | L1099-A1107 HydrophobicContact CD2-CB 4.19Å; L1104-A1107 WeakPolarHBondContact O-CB 3.41Å; L1104-A1107 PolarHBondContact O-N 3.5Å; A1107-Y1109 VanDerWaalsContact C-N 3.35Å; A1107-L1138 HydrophobicContact CB-CD1 3.99Å | ||
| 1108 | T | 81.4 | Confident | 78.9 | Confident | 116 Ų | 116 | 74.8 Ų | 74.8 | 71% | 0.712 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -78.6 | -21.8 | 179.1 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | F1106 Q1141 | F1106-T1108 PolarHBondContact O-N 3.15Å; T1108-Q1141 VanDerWaalsContact CB-OE1 3.32Å; T1108-Q1141 PolarHBondContact OG1-OE1 2.78Å; T1108-Q1141 VanDerWaalsContact OG1-OE1 3.13Å |
| 1109 | Y | 85.9 | Confident | 78.7 | Confident | 25 Ų | 25 | 77.4 Ų | 77.4 | 10% | 0.098 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -95.1 | 123.3 | 175.9 | -174.5 | -91.2 | 0 | 0 | 0 | 110.6 | A1107 R1112 E1130 Y1134 A1137 P1280 | A1107-Y1109 VanDerWaalsContact C-N 3.35Å; Y1109-R1112 PolarHBondContact OH-NE 3.41Å; Y1109-E1130 WeakPolarHBondContact CE1-OE1 3.41Å; Y1109-E1130 PolarHBondContact OH-OE1 2.75Å; Y1109-Y1134 AromaticContact CD1-CD2 3.92Å; Y1109-Y1134 HydrophobicContact CD1-CD2 3.92Å; Y1109-Y1134 HydrophobicContact CE1-CD2 4.38Å; Y1109-A1137 HydrophobicContact CD1-CB 3.8Å; Y1109-A1137 HydrophobicContact CD2-CB 4.05Å; Y1109-A1137 HydrophobicContact CG-CB 3.54Å; Y1109-P1280 HydrophobicContact CD2-CG 3.87Å; Y1109-P1280 HydrophobicContact CE2-CG 4.19Å |
| 1110 | V | 85.5 | Confident | 78.7 | Confident | 119 Ų | 119 | 80.5 Ų | 80.5 | 72% | 0.721 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -99.4 | 128.9 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | R1112 | V1110-R1112 PolarHBondContact O-N 2.94Š|
| 1111 | K | 87.6 | Confident | 79.1 | Confident | 74 Ų | 74 | 79.4 Ų | 79.4 | 32% | 0.322 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 128.5 | 177.3 | -161.5 | -171 | -179.1 | -167 | 0 | 110.7 | E1130 E1131 Y1134 | K1111-E1130 HydrophobicContact CD-CG 4.37Å; K1111-E1130 HydrophobicContact CG-CG 3.55Å; K1111-E1131 IonicContact NZ-OE1 3.33Å; K1111-E1131 PolarHBondContact NZ-OE1 3.44Å; K1111-E1131 IonicContact NZ-OE2 3.2Å; K1111-Y1134 HydrophobicContact CB-CD2 4.01Å |
| 1112 | R | 87.5 | Confident | 80.4 | Confident | 104 Ų | 104 | 78 Ų | 78 | 39% | 0.392 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 146.8 | 178.6 | -59.2 | 173.7 | -176.7 | -132.9 | 0 | 111.8 | Y1109 V1110 F1126 E1130 | Y1109-R1112 PolarHBondContact OH-NE 3.41Å; V1110-R1112 PolarHBondContact O-N 2.94Å; R1112-F1126 HydrophobicContact CB-CE1 4.42Å; R1112-F1126 HydrophobicContact CB-CZ 4.09Å; R1112-E1130 HydrophobicContact CB-CG 4.16Å; R1112-E1130 WeakPolarHBondContact CG-OE1 3.5Å; R1112-E1130 PolarHBondContact N-OE1 3.15Å |
| 1113 | S | 87.5 | Confident | 81.6 | Confident | 99 Ų | 99 | 73.3 Ų | 73.3 | 69% | 0.692 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -80.3 | 149.2 | 164.9 | 56.7 | 0 | 0 | 0 | 0 | 111 | ||
| 1114 | P | 87 | Confident | 82.6 | Confident | 44 Ų | 44 | 76 Ų | 76 | 29% | 0.286 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 145.4 | 173 | 24.4 | -33.5 | 0 | 0 | 0 | 112 | V1123 F1126 | P1114-V1123 HydrophobicContact CB-CG1 4.17Å; P1114-V1123 HydrophobicContact CG-CG1 4.12Å; P1114-F1126 VanDerWaalsContact CA-CD1 3.5Å; P1114-F1126 VanDerWaalsContact CA-CE1 3.49Å; P1114-F1126 HydrophobicContact CB-CD1 3.68Å; P1114-F1126 HydrophobicContact CB-CE1 4.19Å; P1114-F1126 HydrophobicContact CB-CG 4.19Å |
| 1115 | P | 85.2 | Confident | 83.5 | Confident | 27 Ų | 27 | 72.8 Ų | 72.8 | 18% | 0.175 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 136.6 | 172.6 | -22.1 | 32.6 | 0 | 0 | 0 | 112.3 | H1117 L1118 Y1275 | P1115-H1117 PolarHBondContact O-N 2.89Å; P1115-H1117 VanDerWaalsContact O-N 3.08Å; P1115-L1118 VanDerWaalsContact O-CB 3.26Å; P1115-L1118 WeakPolarHBondContact O-CB 3.3Å; P1115-L1118 PolarHBondContact O-N 3.45Å; P1115-Y1275 HydrophobicContact CB-CE1 4.28Å; P1115-Y1275 HydrophobicContact CG-CD1 3.92Å; P1115-Y1275 HydrophobicContact CG-CE1 4.05Å |
| 1116 | S | 80.1 | Confident | 84.8 | Confident | 125 Ų | 125 | 68.2 Ų | 68.2 | 87% | 0.874 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -6.9 | -173.9 | 55.5 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1117 | H | 80.3 | Confident | 85.6 | Confident | 119 Ų | 119 | 67.7 Ų | 67.7 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 19.7 | -178.3 | 46.7 | -88.9 | 0 | 0 | 0 | 112 | P1115 Y1275 | P1115-H1117 PolarHBondContact O-N 2.89Å; P1115-H1117 VanDerWaalsContact O-N 3.08Å; H1117-Y1275 PolarHBondContact CD2-OH 3.48Å; H1117-Y1275 AromaticContact NE2-CE1 3.78Å |
| 1118 | L | 83.3 | Confident | 86.3 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 14% | 0.136 | 40% | 0.402 | C | S | . | . | trans | -99.2 | 133.6 | -175.4 | -167.9 | 59.8 | 0 | 0 | 0 | 111.3 | P1115 F1122 V1123 F1126 W1247 Y1275 | P1115-L1118 VanDerWaalsContact O-CB 3.26Å; P1115-L1118 WeakPolarHBondContact O-CB 3.3Å; P1115-L1118 PolarHBondContact O-N 3.45Å; L1118-F1122 HydrophobicContact CD1-CB 3.5Å; L1118-F1122 VanDerWaalsContact CD1-CB 3.5Å; L1118-F1122 HydrophobicContact CD1-CG 4.19Å; L1118-F1122 HydrophobicContact CD2-CB 3.95Å; L1118-F1122 WeakPolarHBondContact CD2-O 3.49Å; L1118-F1122 HydrophobicContact CG-CB 3.6Å; L1118-V1123 HydrophobicContact CB-CG2 3.9Å; L1118-V1123 HydrophobicContact CD2-CG2 4.17Å; L1118-V1123 HydrophobicContact CG-CG2 4.04Å; L1118-V1123 WeakPolarHBondContact O-CG2 3.41Å; L1118-F1126 HydrophobicContact CD2-CB 3.96Å; L1118-F1126 HydrophobicContact CD2-CG 4.48Å; L1118-W1247 HydrophobicContact CD1-CH2 3.55Å; L1118-W1247 HydrophobicContact CD1-CZ3 3.82Å; L1118-W1247 HydrophobicContact CD2-CH2 3.7Å; L1118-W1247 HydrophobicContact CD2-CZ2 4.26Å; L1118-W1247 HydrophobicContact CG-CH2 4.26Å; L1118-Y1275 HydrophobicContact CD1-CE2 4.48Å | ||
| 1119 | E | 81.6 | Confident | 86.9 | Confident | 110 Ų | 110 | 67.2 Ų | 67.2 | 51% | 0.514 | 37% | 0.369 | S | S | . | . | trans | -63.2 | 144.7 | 176.1 | 170 | 177.3 | -131.9 | 0 | 0 | 111.2 | T1121 F1122 V1123 | E1119-T1121 VanDerWaalsContact C-N 3.25Å; E1119-T1121 PolarHBondContact O-N 3.26Å; E1119-T1121 VanDerWaalsContact O-N 3.13Å; E1119-F1122 HydrophobicContact CB-CD2 4.12Å; E1119-F1122 HydrophobicContact CG-CD2 4.46Å; E1119-F1122 CarbonylContact O-C 3.56Å; E1119-F1122 WeakPolarHBondContact O-CA 3.11Å; E1119-F1122 PolarHBondContact O-N 2.97Å; E1119-F1122 WeakPolarHBondContact OE2-CE2 3.2Å; E1119-V1123 PolarHBondContact O-N 3.21Å | ||
| 1120 | A | 83 | Confident | 87.2 | Confident | 79 Ų | 79 | 66 Ų | 66 | 65% | 0.653 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -52.4 | -40.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1122 V1123 E1124 | A1120-F1122 PolarHBondContact O-N 3.26Å; A1120-V1123 PolarHBondContact O-N 3.41Å; A1120-V1123 VanDerWaalsContact O-N 3.08Å; A1120-E1124 PolarHBondContact O-N 3.38Å; A1120-E1124 VanDerWaalsContact O-N 3.1Å |
| 1121 | T | 81.2 | Confident | 87.6 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -27.2 | 176.2 | -55.7 | 0 | 0 | 0 | 0 | 113.7 | E1119 K1250 T1254 | E1119-T1121 VanDerWaalsContact C-N 3.25Å; E1119-T1121 PolarHBondContact O-N 3.26Å; E1119-T1121 VanDerWaalsContact O-N 3.13Å; T1121-K1250 HydrophobicContact CG2-CD 4.17Å; T1121-K1250 HydrophobicContact CG2-CG 4.18Å; T1121-T1254 HydrophobicContact CG2-CG2 3.96Å |
| 1122 | F | 88.7 | Confident | 87.9 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -95.6 | -20.7 | 172.6 | -68.1 | -93.4 | 0 | 0 | 0 | 113.1 | L1118 E1119 A1120 E1124 L1125 F1126 W1247 K1250 T1251 T1254 | L1118-F1122 HydrophobicContact CD1-CB 3.5Å; L1118-F1122 VanDerWaalsContact CD1-CB 3.5Å; L1118-F1122 HydrophobicContact CD1-CG 4.19Å; L1118-F1122 HydrophobicContact CD2-CB 3.95Å; L1118-F1122 WeakPolarHBondContact CD2-O 3.49Å; L1118-F1122 HydrophobicContact CG-CB 3.6Å; E1119-F1122 HydrophobicContact CB-CD2 4.12Å; E1119-F1122 HydrophobicContact CG-CD2 4.46Å; E1119-F1122 CarbonylContact O-C 3.56Å; E1119-F1122 WeakPolarHBondContact O-CA 3.11Å; E1119-F1122 PolarHBondContact O-N 2.97Å; E1119-F1122 WeakPolarHBondContact OE2-CE2 3.2Å; A1120-F1122 PolarHBondContact O-N 3.26Å; F1122-E1124 VanDerWaalsContact C-N 3.35Å; F1122-L1125 HydrophobicContact CD1-CD2 4.44Å; F1122-L1125 PolarHBondContact O-N 2.63Å; F1122-F1126 VanDerWaalsContact O-CB 3.28Å; F1122-F1126 WeakPolarHBondContact O-CB 3.38Å; F1122-F1126 PolarHBondContact O-N 3.19Å; F1122-W1247 HydrophobicContact CB-CH2 4.15Å; F1122-W1247 HydrophobicContact CB-CZ3 4.27Å; F1122-W1247 HydrophobicContact CD1-CD2 4.01Å; F1122-W1247 AromaticContact CD1-CE3 3.47Å; F1122-W1247 HydrophobicContact CD1-CE3 3.47Å; F1122-W1247 VanDerWaalsContact CD1-CE3 3.47Å; F1122-W1247 HydrophobicContact CD1-CH2 4.1Å; F1122-W1247 AromaticContact CD1-CZ3 3.5Å; F1122-W1247 HydrophobicContact CD1-CZ3 3.5Å; F1122-W1247 HydrophobicContact CE1-CD2 4.4Å; F1122-W1247 AromaticContact CE1-CE3 3.75Å; F1122-W1247 HydrophobicContact CE1-CE3 3.75Å; F1122-W1247 HydrophobicContact CE1-CZ3 4.12Å; F1122-W1247 HydrophobicContact CG-CZ3 4.17Å; F1122-K1250 HydrophobicContact CD1-CB 4.39Å; F1122-K1250 HydrophobicContact CD1-CG 4.35Å; F1122-K1250 HydrophobicContact CE1-CB 3.91Å; F1122-K1250 HydrophobicContact CE1-CG 4.19Å; F1122-K1250 HydrophobicContact CZ-CB 4.38Å; F1122-K1250 HydrophobicContact CZ-CG 4.48Å; F1122-T1251 WeakPolarHBondContact CE1-OG1 3.36Å; F1122-T1251 WeakPolarHBondContact CZ-OG1 3.4Å; F1122-T1254 HydrophobicContact CE2-CG2 4.11Å |
| 1123 | V | 89.6 | Confident | 88.2 | Confident | 38 Ų | 38 | 60.9 Ų | 60.9 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 171.6 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | P1114 L1118 E1119 A1120 F1126 N1127 | P1114-V1123 HydrophobicContact CB-CG1 4.17Å; P1114-V1123 HydrophobicContact CG-CG1 4.12Å; L1118-V1123 HydrophobicContact CB-CG2 3.9Å; L1118-V1123 HydrophobicContact CD2-CG2 4.17Å; L1118-V1123 HydrophobicContact CG-CG2 4.04Å; L1118-V1123 WeakPolarHBondContact O-CG2 3.41Å; E1119-V1123 PolarHBondContact O-N 3.21Å; A1120-V1123 PolarHBondContact O-N 3.41Å; A1120-V1123 VanDerWaalsContact O-N 3.08Å; V1123-F1126 PolarHBondContact O-N 3.35Å; V1123-N1127 WeakPolarHBondContact O-CB 3.12Å; V1123-N1127 PolarHBondContact O-N 3.5Å; V1123-N1127 PolarHBondContact O-ND2 3.02Å |
| 1124 | E | 89.1 | Confident | 88.5 | Confident | 145 Ų | 145 | 58.2 Ų | 58.2 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.3 | -53.9 | 171.8 | -170.8 | 169.5 | -149.4 | 0 | 0 | 110.8 | A1120 F1122 F1126 N1127 E1128 | A1120-E1124 PolarHBondContact O-N 3.38Å; A1120-E1124 VanDerWaalsContact O-N 3.1Å; F1122-E1124 VanDerWaalsContact C-N 3.35Å; E1124-F1126 PolarHBondContact O-N 3.11Å; E1124-N1127 PolarHBondContact O-N 3.17Å; E1124-N1127 VanDerWaalsContact O-N 3.17Å; E1124-E1128 PolarHBondContact O-N 3.28Å |
| 1125 | L | 91 | Very high | 88.7 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 9% | 0.094 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 176.6 | -177.5 | 64.7 | 0 | 0 | 0 | 113 | F1122 N1127 Q1129 D1246 W1247 K1250 | F1122-L1125 HydrophobicContact CD1-CD2 4.44Å; F1122-L1125 PolarHBondContact O-N 2.63Å; L1125-N1127 VanDerWaalsContact C-N 3.35Å; L1125-Q1129 HydrophobicContact CD1-CG 4.12Å; L1125-Q1129 HydrophobicContact CG-CG 4.41Å; L1125-Q1129 VanDerWaalsContact O-CB 3.28Å; L1125-Q1129 WeakPolarHBondContact O-CB 3.19Å; L1125-Q1129 VanDerWaalsContact O-CG 3.23Å; L1125-Q1129 WeakPolarHBondContact O-CG 3.32Å; L1125-Q1129 PolarHBondContact O-N 2.9Å; L1125-D1246 HydrophobicContact CD1-CB 4.34Å; L1125-W1247 HydrophobicContact CD2-CD2 4.33Å; L1125-W1247 HydrophobicContact CD2-CG 3.99Å; L1125-K1250 HydrophobicContact CD2-CB 3.88Å; L1125-K1250 HydrophobicContact CD2-CG 4.07Å |
| 1126 | F | 93.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 1% | 0.013 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.3 | -178.6 | -81 | 0 | 0 | 0 | 111.2 | R1112 P1114 L1118 F1122 V1123 E1124 E1130 W1247 Y1275 | R1112-F1126 HydrophobicContact CB-CE1 4.42Å; R1112-F1126 HydrophobicContact CB-CZ 4.09Å; P1114-F1126 VanDerWaalsContact CA-CD1 3.5Å; P1114-F1126 VanDerWaalsContact CA-CE1 3.49Å; P1114-F1126 HydrophobicContact CB-CD1 3.68Å; P1114-F1126 HydrophobicContact CB-CE1 4.19Å; P1114-F1126 HydrophobicContact CB-CG 4.19Å; L1118-F1126 HydrophobicContact CD2-CB 3.96Å; L1118-F1126 HydrophobicContact CD2-CG 4.48Å; F1122-F1126 VanDerWaalsContact O-CB 3.28Å; F1122-F1126 WeakPolarHBondContact O-CB 3.38Å; F1122-F1126 PolarHBondContact O-N 3.19Å; V1123-F1126 PolarHBondContact O-N 3.35Å; E1124-F1126 PolarHBondContact O-N 3.11Å; F1126-E1130 HydrophobicContact CD1-CB 4.35Å; F1126-E1130 HydrophobicContact CE1-CB 4.02Å; F1126-E1130 HydrophobicContact CE1-CG 4.28Å; F1126-E1130 WeakPolarHBondContact O-CB 3.47Å; F1126-E1130 PolarHBondContact O-N 2.87Å; F1126-W1247 HydrophobicContact CB-CZ2 4.27Å; F1126-W1247 HydrophobicContact CD2-CZ2 4.25Å; F1126-Y1275 WeakPolarHBondContact CD2-O 3.3Å; F1126-Y1275 WeakPolarHBondContact CE2-O 3.46Å |
| 1127 | N | 92 | Very high | 89.8 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.9 | -43.1 | -179.4 | -74 | -33.8 | 0 | 0 | 0 | 111.7 | V1123 E1124 L1125 E1130 E1131 | V1123-N1127 WeakPolarHBondContact O-CB 3.12Å; V1123-N1127 PolarHBondContact O-N 3.5Å; V1123-N1127 PolarHBondContact O-ND2 3.02Å; E1124-N1127 PolarHBondContact O-N 3.17Å; E1124-N1127 VanDerWaalsContact O-N 3.17Å; L1125-N1127 VanDerWaalsContact C-N 3.35Å; N1127-E1130 PolarHBondContact O-N 3.04Å; N1127-E1131 PolarHBondContact O-N 3.44Å |
| 1128 | E | 91.6 | Very high | 90.4 | Very high | 128 Ų | 128 | 50.2 Ų | 50.2 | 60% | 0.598 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -57.9 | -54.3 | 172.9 | -179.9 | 173.3 | -142.1 | 0 | 0 | 110.8 | E1124 E1130 E1131 E1132 | E1124-E1128 PolarHBondContact O-N 3.28Å; E1128-E1130 VanDerWaalsContact C-N 3.29Å; E1128-E1130 PolarHBondContact O-N 3.03Å; E1128-E1131 WeakPolarHBondContact O-CB 3.34Å; E1128-E1131 PolarHBondContact O-N 2.76Å; E1128-E1131 VanDerWaalsContact O-N 3.12Å; E1128-E1132 PolarHBondContact O-N 2.98Å |
| 1129 | Q | 94 | Very high | 90.8 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -26.8 | 179.9 | -71.7 | -172.8 | -10.1 | 0 | 0 | 114.2 | L1125 R1133 Q1243 | L1125-Q1129 HydrophobicContact CD1-CG 4.12Å; L1125-Q1129 HydrophobicContact CG-CG 4.41Å; L1125-Q1129 VanDerWaalsContact O-CB 3.28Å; L1125-Q1129 WeakPolarHBondContact O-CB 3.19Å; L1125-Q1129 VanDerWaalsContact O-CG 3.23Å; L1125-Q1129 WeakPolarHBondContact O-CG 3.32Å; L1125-Q1129 PolarHBondContact O-N 2.9Å; Q1129-R1133 WeakPolarHBondContact O-CB 3.34Å; Q1129-R1133 VanDerWaalsContact O-CG 3.3Å; Q1129-R1133 WeakPolarHBondContact O-CG 3.46Å; Q1129-R1133 PolarHBondContact O-N 2.95Å; Q1129-Q1243 HydrophobicContact CB-CG 4.21Å; Q1129-Q1243 HydrophobicContact CG-CB 4.32Å; Q1129-Q1243 HydrophobicContact CG-CG 3.8Å; Q1129-Q1243 VanDerWaalsContact NE2-CA 3.29Å; Q1129-Q1243 PolarHBondContact NE2-O 3.15Å; Q1129-Q1243 PolarHBondContact O-NE2 3.45Å |
| 1130 | E | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -78.2 | -29 | 173.9 | -172.2 | 63.6 | -158.6 | 0 | 0 | 112 | Y1109 K1111 R1112 F1126 N1127 E1128 R1133 Y1134 | Y1109-E1130 WeakPolarHBondContact CE1-OE1 3.41Å; Y1109-E1130 PolarHBondContact OH-OE1 2.75Å; K1111-E1130 HydrophobicContact CD-CG 4.37Å; K1111-E1130 HydrophobicContact CG-CG 3.55Å; R1112-E1130 HydrophobicContact CB-CG 4.16Å; R1112-E1130 WeakPolarHBondContact CG-OE1 3.5Å; R1112-E1130 PolarHBondContact N-OE1 3.15Å; F1126-E1130 HydrophobicContact CD1-CB 4.35Å; F1126-E1130 HydrophobicContact CE1-CB 4.02Å; F1126-E1130 HydrophobicContact CE1-CG 4.28Å; F1126-E1130 WeakPolarHBondContact O-CB 3.47Å; F1126-E1130 PolarHBondContact O-N 2.87Å; N1127-E1130 PolarHBondContact O-N 3.04Å; E1128-E1130 VanDerWaalsContact C-N 3.29Å; E1128-E1130 PolarHBondContact O-N 3.03Å; E1130-R1133 IonicContact OE2-CZ 2.79Å; E1130-R1133 IonicContact OE2-NE 3.28Å; E1130-R1133 PolarHBondContact OE2-NE 2.9Å; E1130-R1133 IonicContact OE2-NH2 2.76Å; E1130-R1133 PolarHBondContact OE2-NH2 3.13Å; E1130-Y1134 WeakPolarHBondContact O-CB 3.21Å; E1130-Y1134 PolarHBondContact O-N 2.73Å |
| 1131 | E | 92.5 | Very high | 91.9 | Very high | 101 Ų | 101 | 43 Ų | 43 | 47% | 0.472 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 165.7 | -66.9 | -65 | -179.1 | 0 | 0 | 111 | K1111 N1127 E1128 R1133 Y1134 A1135 | K1111-E1131 IonicContact NZ-OE1 3.33Å; K1111-E1131 PolarHBondContact NZ-OE1 3.44Å; K1111-E1131 IonicContact NZ-OE2 3.2Å; N1127-E1131 PolarHBondContact O-N 3.44Å; E1128-E1131 WeakPolarHBondContact O-CB 3.34Å; E1128-E1131 PolarHBondContact O-N 2.76Å; E1128-E1131 VanDerWaalsContact O-N 3.12Å; E1131-R1133 PolarHBondContact O-N 2.75Å; E1131-Y1134 PolarHBondContact O-N 3.1Å; E1131-A1135 VanDerWaalsContact O-CB 3.32Å; E1131-A1135 WeakPolarHBondContact O-CB 3.38Å; E1131-A1135 PolarHBondContact O-N 2.83Å |
| 1132 | E | 93.7 | Very high | 92.5 | Very high | 85 Ų | 85 | 41.8 Ų | 41.8 | 40% | 0.397 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 173.6 | -65.7 | -172.4 | 133.9 | 0 | 0 | 111.9 | E1128 Y1134 A1135 Q1136 L1239 Q1243 | E1128-E1132 PolarHBondContact O-N 2.98Å; E1132-Y1134 PolarHBondContact O-N 3.31Å; E1132-A1135 PolarHBondContact O-N 2.83Å; E1132-Q1136 VanDerWaalsContact O-CB 3.27Å; E1132-Q1136 WeakPolarHBondContact O-CB 3.01Å; E1132-Q1136 PolarHBondContact O-N 2.68Å; E1132-L1239 HydrophobicContact CB-CD1 4.45Å; E1132-L1239 HydrophobicContact CB-CD2 4.37Å; E1132-Q1243 PolarHBondContact OE2-NE2 2.74Å |
| 1133 | R | 94.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 178 | -74.8 | -177 | -59.9 | -102.2 | 4.7 | 111.8 | Q1129 E1130 E1131 A1137 L1239 P1277 I1279 | Q1129-R1133 WeakPolarHBondContact O-CB 3.34Å; Q1129-R1133 VanDerWaalsContact O-CG 3.3Å; Q1129-R1133 WeakPolarHBondContact O-CG 3.46Å; Q1129-R1133 PolarHBondContact O-N 2.95Å; E1130-R1133 IonicContact OE2-CZ 2.79Å; E1130-R1133 IonicContact OE2-NE 3.28Å; E1130-R1133 PolarHBondContact OE2-NE 2.9Å; E1130-R1133 IonicContact OE2-NH2 2.76Å; E1130-R1133 PolarHBondContact OE2-NH2 3.13Å; E1131-R1133 PolarHBondContact O-N 2.75Å; R1133-A1137 WeakPolarHBondContact O-CB 3.42Å; R1133-A1137 PolarHBondContact O-N 2.77Å; R1133-L1239 HydrophobicContact CG-CD2 4.17Å; R1133-P1277 WeakPolarHBondContact CD-O 3.32Å; R1133-I1279 HydrophobicContact CB-CD1 4.28Å; R1133-I1279 HydrophobicContact CB-CG1 4.14Å; R1133-I1279 HydrophobicContact CG-CD1 4.31Å; R1133-I1279 HydrophobicContact CG-CG1 4.11Å |
| 1134 | Y | 93.3 | Very high | 93 | Very high | 43 Ų | 43 | 42.2 Ų | 42.2 | 17% | 0.169 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -47.1 | 175.6 | 179.1 | -97.5 | 0 | 0 | 0 | 111.5 | Y1109 K1111 E1130 E1131 E1132 A1137 L1138 | Y1109-Y1134 AromaticContact CD1-CD2 3.92Å; Y1109-Y1134 HydrophobicContact CD1-CD2 3.92Å; Y1109-Y1134 HydrophobicContact CE1-CD2 4.38Å; K1111-Y1134 HydrophobicContact CB-CD2 4.01Å; E1130-Y1134 WeakPolarHBondContact O-CB 3.21Å; E1130-Y1134 PolarHBondContact O-N 2.73Å; E1131-Y1134 PolarHBondContact O-N 3.1Å; E1132-Y1134 PolarHBondContact O-N 3.31Å; Y1134-A1137 PolarHBondContact O-N 3.39Å; Y1134-L1138 WeakPolarHBondContact O-CB 3.33Å; Y1134-L1138 PolarHBondContact O-N 2.97Å |
| 1135 | A | 92.6 | Very high | 93.2 | Very high | 56 Ų | 56 | 36.2 Ų | 36.2 | 46% | 0.463 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1131 E1132 L1138 K1139 | E1131-A1135 VanDerWaalsContact O-CB 3.32Å; E1131-A1135 WeakPolarHBondContact O-CB 3.38Å; E1131-A1135 PolarHBondContact O-N 2.83Å; E1132-A1135 PolarHBondContact O-N 2.83Å; A1135-L1138 PolarHBondContact O-N 3.09Å; A1135-K1139 WeakPolarHBondContact O-CB 3.49Å; A1135-K1139 PolarHBondContact O-N 2.8Å |
| 1136 | Q | 94.5 | Very high | 93.3 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 17% | 0.173 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 175.4 | -174.9 | 84.1 | -57.2 | 0 | 0 | 111.4 | E1132 K1139 H1140 E1235 L1239 I1279 | E1132-Q1136 VanDerWaalsContact O-CB 3.27Å; E1132-Q1136 WeakPolarHBondContact O-CB 3.01Å; E1132-Q1136 PolarHBondContact O-N 2.68Å; Q1136-K1139 WeakPolarHBondContact O-CB 3.43Å; Q1136-H1140 WeakPolarHBondContact O-CB 3.39Å; Q1136-H1140 PolarHBondContact O-CD2 3.06Å; Q1136-H1140 VanDerWaalsContact O-CD2 3.28Å; Q1136-H1140 PolarHBondContact O-N 2.85Å; Q1136-E1235 PolarHBondContact NE2-O 2.87Å; Q1136-E1235 VanDerWaalsContact NE2-O 3.15Å; Q1136-L1239 HydrophobicContact CB-CD2 3.96Å; Q1136-L1239 HydrophobicContact CG-CD2 4.1Å; Q1136-I1279 HydrophobicContact CB-CD1 3.62Å; Q1136-I1279 HydrophobicContact CG-CD1 3.52Å |
| 1137 | A | 93.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 5% | 0.05 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.2 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1109 R1133 Y1134 H1140 Q1141 I1279 | Y1109-A1137 HydrophobicContact CD1-CB 3.8Å; Y1109-A1137 HydrophobicContact CD2-CB 4.05Å; Y1109-A1137 HydrophobicContact CG-CB 3.54Å; R1133-A1137 WeakPolarHBondContact O-CB 3.42Å; R1133-A1137 PolarHBondContact O-N 2.77Å; Y1134-A1137 PolarHBondContact O-N 3.39Å; A1137-H1140 PolarHBondContact O-N 2.76Å; A1137-Q1141 PolarHBondContact O-N 3.41Å; A1137-I1279 HydrophobicContact CB-CG2 3.88Å |
| 1138 | L | 91.7 | Very high | 93.5 | Very high | 48 Ų | 48 | 36.4 Ų | 36.4 | 25% | 0.251 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.4 | -44.3 | 176.2 | -163.6 | 77.2 | 0 | 0 | 0 | 111.2 | L1099 A1107 Y1134 A1135 Q1141 S1142 | L1099-L1138 HydrophobicContact CD1-CD1 3.61Å; L1099-L1138 HydrophobicContact CD1-CG 4.2Å; L1099-L1138 HydrophobicContact CD2-CD1 3.9Å; L1099-L1138 HydrophobicContact CG-CD1 4.38Å; A1107-L1138 HydrophobicContact CB-CD1 3.99Å; Y1134-L1138 WeakPolarHBondContact O-CB 3.33Å; Y1134-L1138 PolarHBondContact O-N 2.97Å; A1135-L1138 PolarHBondContact O-N 3.09Å; L1138-Q1141 PolarHBondContact O-N 3.41Å; L1138-S1142 WeakPolarHBondContact O-CB 3.49Å; L1138-S1142 PolarHBondContact O-N 3.4Å; L1138-S1142 PolarHBondContact O-OG 3.43Å |
| 1139 | K | 93.1 | Very high | 93.6 | Very high | 44 Ų | 44 | 31.3 Ų | 31.3 | 19% | 0.191 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -52.9 | -55.5 | 168.1 | 177.7 | -156.7 | 178.3 | -166.1 | 0 | 110 | A1135 Q1136 Q1141 S1142 E1143 E1235 | A1135-K1139 WeakPolarHBondContact O-CB 3.49Å; A1135-K1139 PolarHBondContact O-N 2.8Å; Q1136-K1139 WeakPolarHBondContact O-CB 3.43Å; K1139-Q1141 VanDerWaalsContact C-N 3.29Å; K1139-Q1141 PolarHBondContact O-N 3.24Å; K1139-S1142 PolarHBondContact O-N 2.99Å; K1139-S1142 PolarHBondContact O-OG 3.01Å; K1139-E1143 WeakPolarHBondContact CE-OE1 3.3Å; K1139-E1143 HydrophobicContact CG-CG 4.47Å; K1139-E1143 WeakPolarHBondContact O-CG 2.88Å; K1139-E1143 PolarHBondContact O-N 3.37Å; K1139-E1235 VanDerWaalsContact NZ-CD 3.31Å; K1139-E1235 IonicContact NZ-OE1 2.92Å; K1139-E1235 IonicContact NZ-OE2 3.12Å; K1139-E1235 PolarHBondContact NZ-OE2 3.37Å |
| 1140 | H | 95 | Very high | 93.6 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -37.8 | -178.4 | -72.4 | -176.5 | 0 | 0 | 0 | 113.2 | Q1136 A1137 R1144 Q1232 E1235 | Q1136-H1140 WeakPolarHBondContact O-CB 3.39Å; Q1136-H1140 PolarHBondContact O-CD2 3.06Å; Q1136-H1140 VanDerWaalsContact O-CD2 3.28Å; Q1136-H1140 PolarHBondContact O-N 2.85Å; A1137-H1140 PolarHBondContact O-N 2.76Å; H1140-R1144 WeakPolarHBondContact O-CG 3.25Å; H1140-R1144 PolarHBondContact O-N 3.09Å; H1140-R1144 PolarHBondContact O-NH1 2.84Å; H1140-Q1232 VanDerWaalsContact CA-NE2 3.35Å; H1140-Q1232 HydrophobicContact CB-CG 4.17Å; H1140-Q1232 PolarHBondContact CE1-O 3.16Å; H1140-Q1232 PolarHBondContact O-NE2 3.1Å; H1140-E1235 IonicContact CD2-OE2 3.77Å; H1140-E1235 PolarHBondContact CD2-OE2 2.91Å; H1140-E1235 IonicContact CE1-OE2 2.94Å; H1140-E1235 IonicContact NE2-OE2 3.54Å; H1140-E1235 PolarHBondContact NE2-OE2 3.1Å |
| 1141 | Q | 92.6 | Very high | 93.7 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.1 | -50 | 174.8 | -175 | 178.7 | -32.1 | 0 | 0 | 111.9 | L1099 F1106 T1108 A1137 L1138 K1139 E1143 R1144 E1145 | L1099-Q1141 HydrophobicContact CD1-CB 3.68Å; L1099-Q1141 HydrophobicContact CD1-CG 3.6Å; L1099-Q1141 HydrophobicContact CG-CG 4.5Å; F1106-Q1141 PolarHBondContact O-NE2 2.97Å; T1108-Q1141 VanDerWaalsContact CB-OE1 3.32Å; T1108-Q1141 PolarHBondContact OG1-OE1 2.78Å; T1108-Q1141 VanDerWaalsContact OG1-OE1 3.13Å; A1137-Q1141 PolarHBondContact O-N 3.41Å; L1138-Q1141 PolarHBondContact O-N 3.41Å; K1139-Q1141 VanDerWaalsContact C-N 3.29Å; K1139-Q1141 PolarHBondContact O-N 3.24Å; Q1141-E1143 PolarHBondContact O-N 3.25Å; Q1141-R1144 WeakPolarHBondContact O-CB 3.33Å; Q1141-R1144 PolarHBondContact O-N 2.9Å; Q1141-E1145 HydrophobicContact CG-CG 4.43Å; Q1141-E1145 WeakPolarHBondContact CG-OE1 3.49Å; Q1141-E1145 PolarHBondContact NE2-OE1 2.92Å; Q1141-E1145 PolarHBondContact O-N 2.8Å |
| 1142 | S | 91.9 | Very high | 93.8 | Very high | 30 Ų | 30 | 27.5 Ų | 27.5 | 21% | 0.21 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.2 | -33.3 | 179.7 | 68.6 | 0 | 0 | 0 | 0 | 112.9 | L1138 K1139 H1146 | L1138-S1142 WeakPolarHBondContact O-CB 3.49Å; L1138-S1142 PolarHBondContact O-N 3.4Å; L1138-S1142 PolarHBondContact O-OG 3.43Å; K1139-S1142 PolarHBondContact O-N 2.99Å; K1139-S1142 PolarHBondContact O-OG 3.01Å; S1142-H1146 WeakPolarHBondContact O-CB 3.47Å; S1142-H1146 PolarHBondContact O-N 3.15Å |
| 1143 | E | 94.3 | Very high | 93.8 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 14% | 0.136 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.8 | -31.3 | 173 | -71.6 | 179.4 | 157.9 | 0 | 0 | 114 | K1139 Q1141 L1147 L1228 R1231 Q1232 | K1139-E1143 WeakPolarHBondContact CE-OE1 3.3Å; K1139-E1143 HydrophobicContact CG-CG 4.47Å; K1139-E1143 WeakPolarHBondContact O-CG 2.88Å; K1139-E1143 PolarHBondContact O-N 3.37Å; Q1141-E1143 PolarHBondContact O-N 3.25Å; E1143-L1147 PolarHBondContact O-N 3.32Å; E1143-L1228 HydrophobicContact CB-CD1 4.07Å; E1143-L1228 HydrophobicContact CB-CD2 4.46Å; E1143-R1231 IonicContact OE1-CZ 3.75Å; E1143-R1231 IonicContact OE1-NH2 3.93Å; E1143-R1231 PolarHBondContact OE1-NH2 3.18Å; E1143-R1231 IonicContact OE2-NH2 2.77Å; E1143-R1231 PolarHBondContact OE2-NH2 2.92Å; E1143-Q1232 PolarHBondContact OE2-NE2 3.12Å |
| 1144 | R | 94.6 | Very high | 93.9 | Very high | 33 Ų | 33 | 28.3 Ų | 28.3 | 13% | 0.125 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -75.1 | -46.4 | 176 | -70.7 | -175.4 | -59.2 | -99.5 | 5.4 | 110.9 | H1140 Q1141 H1146 L1147 Q1148 L1228 F1285 | H1140-R1144 WeakPolarHBondContact O-CG 3.25Å; H1140-R1144 PolarHBondContact O-N 3.09Å; H1140-R1144 PolarHBondContact O-NH1 2.84Å; Q1141-R1144 WeakPolarHBondContact O-CB 3.33Å; Q1141-R1144 PolarHBondContact O-N 2.9Å; R1144-H1146 VanDerWaalsContact C-N 3.31Å; R1144-H1146 PolarHBondContact O-N 2.92Å; R1144-L1147 WeakPolarHBondContact O-CB 3.48Å; R1144-L1147 PolarHBondContact O-N 2.94Å; R1144-L1147 VanDerWaalsContact O-N 3.1Å; R1144-Q1148 PolarHBondContact O-N 3.44Å; R1144-L1228 HydrophobicContact CG-CD2 3.93Å; R1144-F1285 HydrophobicContact CB-CD2 4.12Å; R1144-F1285 HydrophobicContact CB-CE1 4.18Å; R1144-F1285 HydrophobicContact CB-CE2 3.76Å; R1144-F1285 HydrophobicContact CB-CZ 3.78Å; R1144-F1285 HydrophobicContact CG-CD1 4.09Å; R1144-F1285 HydrophobicContact CG-CE1 3.67Å; R1144-F1285 HydrophobicContact CG-CE2 4.19Å; R1144-F1285 HydrophobicContact CG-CG 4.5Å; R1144-F1285 HydrophobicContact CG-CZ 3.73Å |
| 1145 | E | 93.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 8% | 0.084 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.8 | -44 | 173.4 | -68.2 | 171.3 | -174 | 0 | 0 | 111.5 | L1092 L1099 Q1141 L1147 Q1148 L1149 | L1092-E1145 HydrophobicContact CD2-CB 3.87Å; L1092-E1145 HydrophobicContact CD2-CG 4.08Å; L1099-E1145 WeakPolarHBondContact CB-OE2 3.35Å; L1099-E1145 PolarHBondContact N-OE2 3.08Å; Q1141-E1145 HydrophobicContact CG-CG 4.43Å; Q1141-E1145 WeakPolarHBondContact CG-OE1 3.49Å; Q1141-E1145 PolarHBondContact NE2-OE1 2.92Å; Q1141-E1145 PolarHBondContact O-N 2.8Å; E1145-L1147 VanDerWaalsContact C-N 3.28Å; E1145-L1147 PolarHBondContact O-N 3Å; E1145-Q1148 WeakPolarHBondContact O-CB 3.3Å; E1145-Q1148 PolarHBondContact O-N 3.39Å; E1145-L1149 VanDerWaalsContact O-CG 3.3Å; E1145-L1149 WeakPolarHBondContact O-CG 3.27Å; E1145-L1149 PolarHBondContact O-N 3.36Å |
| 1146 | H | 93.8 | Very high | 93.9 | Very high | 44 Ų | 44 | 26 Ų | 26 | 20% | 0.204 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54.9 | -43.2 | 173.5 | 179.6 | 107.8 | 0 | 0 | 0 | 112.6 | S235 L236 L1100 S1142 R1144 L1149 G1150 | S235-H1146 VanDerWaalsContact C-CE1 3.44Å; S235-H1146 PolarHBondContact O-CE1 3.23Å; S235-H1146 VanDerWaalsContact O-CE1 3.28Å; S235-H1146 PolarHBondContact O-NE2 2.83Å; S235-H1146 VanDerWaalsContact O-NE2 3.15Å; L236-H1146 VanDerWaalsContact CD1-CE1 3.49Å; L236-H1146 WeakPolarHBondContact CD1-CE1 3.45Å; L236-H1146 PolarHBondContact N-CE1 2.94Å; L1100-H1146 HydrophobicContact CD1-CB 4.48Å; S1142-H1146 WeakPolarHBondContact O-CB 3.47Å; S1142-H1146 PolarHBondContact O-N 3.15Å; R1144-H1146 VanDerWaalsContact C-N 3.31Å; R1144-H1146 PolarHBondContact O-N 2.92Å; H1146-L1149 PolarHBondContact O-N 3.43Å; H1146-G1150 PolarHBondContact O-N 2.88Å |
| 1147 | L | 95.2 | Very high | 93.8 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 7% | 0.068 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.4 | -39.6 | 179.4 | -169.5 | 69.8 | 0 | 0 | 0 | 111.8 | E1143 R1144 E1145 G1150 A1151 F1221 E1224 K1225 L1228 F1285 L1287 | E1143-L1147 PolarHBondContact O-N 3.32Å; R1144-L1147 WeakPolarHBondContact O-CB 3.48Å; R1144-L1147 PolarHBondContact O-N 2.94Å; R1144-L1147 VanDerWaalsContact O-N 3.1Å; E1145-L1147 VanDerWaalsContact C-N 3.28Å; E1145-L1147 PolarHBondContact O-N 3Å; L1147-G1150 PolarHBondContact O-N 3.22Å; L1147-A1151 PolarHBondContact O-N 3.15Å; L1147-F1221 HydrophobicContact CD1-CD1 3.75Å; L1147-F1221 HydrophobicContact CD1-CE1 4.11Å; L1147-F1221 HydrophobicContact CG-CD1 4.13Å; L1147-E1224 HydrophobicContact CD1-CB 3.71Å; L1147-E1224 WeakPolarHBondContact CD1-OE2 3.5Å; L1147-E1224 HydrophobicContact CD2-CB 4.29Å; L1147-K1225 VanDerWaalsContact CD2-CA 3.46Å; L1147-K1225 HydrophobicContact CD2-CB 3.7Å; L1147-L1228 HydrophobicContact CB-CD2 4.41Å; L1147-L1228 HydrophobicContact CD2-CD2 4.19Å; L1147-F1285 HydrophobicContact CD2-CZ 4.05Å; L1147-L1287 HydrophobicContact CD2-CD2 4.1Å; L1147-L1287 HydrophobicContact CG-CD2 4.27Å |
| 1148 | Q | 93.7 | Very high | 93.8 | Very high | 27 Ų | 27 | 28.9 Ų | 28.9 | 13% | 0.126 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.2 | -51.6 | 172.5 | 169.1 | 169.3 | 2.6 | 0 | 0 | 111.1 | L1092 R1144 E1145 G1150 A1151 E1152 | L1092-Q1148 HydrophobicContact CB-CG 4.14Å; L1092-Q1148 HydrophobicContact CD2-CB 4.28Å; L1092-Q1148 HydrophobicContact CD2-CG 3.99Å; R1144-Q1148 PolarHBondContact O-N 3.44Å; E1145-Q1148 WeakPolarHBondContact O-CB 3.3Å; E1145-Q1148 PolarHBondContact O-N 3.39Å; Q1148-G1150 PolarHBondContact O-N 3.46Å; Q1148-A1151 WeakPolarHBondContact O-CA 3.37Å; Q1148-A1151 WeakPolarHBondContact O-CB 3.47Å; Q1148-A1151 PolarHBondContact O-N 3.28Å; Q1148-E1152 HydrophobicContact CG-CG 4.27Å; Q1148-E1152 VanDerWaalsContact CG-OE1 3.3Å; Q1148-E1152 WeakPolarHBondContact CG-OE1 3.48Å; Q1148-E1152 PolarHBondContact NE2-OE1 2.85Å; Q1148-E1152 WeakPolarHBondContact O-CG 3.3Å; Q1148-E1152 PolarHBondContact O-N 3.46Å |
| 1149 | L | 94.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 28 Ų | 28 | 11% | 0.11 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.8 | -38.7 | 176.2 | -69.2 | 167.1 | 0 | 0 | 0 | 111.9 | L1092 L1093 Y1098 L1100 E1145 H1146 Q1153 | L1092-L1149 HydrophobicContact CB-CD2 3.79Å; L1092-L1149 HydrophobicContact CB-CG 4.37Å; L1092-L1149 HydrophobicContact CD2-CD2 4.38Å; L1092-L1149 HydrophobicContact CD2-CG 4.15Å; L1092-L1149 HydrophobicContact CG-CD2 3.91Å; L1092-L1149 HydrophobicContact CG-CG 4.21Å; L1093-L1149 HydrophobicContact CB-CD2 4.37Å; L1093-L1149 HydrophobicContact CD2-CD2 3.73Å; L1093-L1149 HydrophobicContact CG-CD2 3.75Å; Y1098-L1149 HydrophobicContact CD1-CD1 4.2Å; Y1098-L1149 HydrophobicContact CD1-CD2 4.05Å; Y1098-L1149 HydrophobicContact CE1-CD1 4.35Å; Y1098-L1149 HydrophobicContact CE1-CD2 4Å; Y1098-L1149 HydrophobicContact CG-CD1 4.32Å; L1100-L1149 HydrophobicContact CD1-CD1 3.66Å; E1145-L1149 VanDerWaalsContact O-CG 3.3Å; E1145-L1149 WeakPolarHBondContact O-CG 3.27Å; E1145-L1149 PolarHBondContact O-N 3.36Å; H1146-L1149 PolarHBondContact O-N 3.43Å; L1149-Q1153 VanDerWaalsContact O-CB 3.25Å; L1149-Q1153 WeakPolarHBondContact O-CB 3.08Å; L1149-Q1153 PolarHBondContact O-N 3.48Å |
| 1150 | G | 94.8 | Very high | 93.7 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 24% | 0.237 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | H1146 L1147 Q1148 A1154 F1221 | H1146-G1150 PolarHBondContact O-N 2.88Å; L1147-G1150 PolarHBondContact O-N 3.22Å; Q1148-G1150 PolarHBondContact O-N 3.46Å; G1150-A1154 WeakPolarHBondContact O-CB 3.29Å; G1150-A1154 PolarHBondContact O-N 3.4Å; G1150-F1221 VanDerWaalsContact C-CE1 3.43Å; G1150-F1221 VanDerWaalsContact O-CZ 3.24Å; G1150-F1221 WeakPolarHBondContact O-CZ 3.23Å |
| 1151 | A | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.1 | -48.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1147 Q1148 Q1153 A1154 V1155 F1221 F1288 | L1147-A1151 PolarHBondContact O-N 3.15Å; Q1148-A1151 WeakPolarHBondContact O-CA 3.37Å; Q1148-A1151 WeakPolarHBondContact O-CB 3.47Å; Q1148-A1151 PolarHBondContact O-N 3.28Å; A1151-Q1153 PolarHBondContact O-N 2.82Å; A1151-A1154 WeakPolarHBondContact O-CB 3.47Å; A1151-A1154 PolarHBondContact O-N 3.07Å; A1151-V1155 PolarHBondContact O-N 3.3Å; A1151-V1155 VanDerWaalsContact O-N 3.09Å; A1151-F1221 HydrophobicContact CB-CB 4.01Å; A1151-F1221 HydrophobicContact CB-CD1 3.69Å; A1151-F1221 HydrophobicContact CB-CD2 4Å; A1151-F1221 HydrophobicContact CB-CE1 4.15Å; A1151-F1221 HydrophobicContact CB-CE2 4.44Å; A1151-F1221 HydrophobicContact CB-CG 3.61Å; A1151-F1221 VanDerWaalsContact N-CE1 3.35Å; A1151-F1288 HydrophobicContact CB-CE1 3.94Å; A1151-F1288 HydrophobicContact CB-CZ 3.86Å |
| 1152 | E | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.2 | -47.8 | 174.9 | -70 | 177 | -178.2 | 0 | 0 | 111.3 | Y1091 L1092 L1093 Q1148 A1154 V1155 L1156 F1288 | Y1091-E1152 WeakPolarHBondContact CA-OE1 3.26Å; Y1091-E1152 WeakPolarHBondContact CB-OE2 3.35Å; Y1091-E1152 HydrophobicContact CD1-CG 4.48Å; Y1091-E1152 HydrophobicContact CD2-CB 3.59Å; Y1091-E1152 HydrophobicContact CD2-CG 3.6Å; Y1091-E1152 HydrophobicContact CE2-CB 3.77Å; Y1091-E1152 HydrophobicContact CE2-CG 3.85Å; Y1091-E1152 HydrophobicContact CG-CB 4.38Å; Y1091-E1152 HydrophobicContact CG-CG 3.92Å; L1092-E1152 WeakPolarHBondContact CB-OE1 3.45Å; L1092-E1152 PolarHBondContact N-OE1 3.46Å; L1092-E1152 PolarHBondContact N-OE2 3.38Å; L1093-E1152 HydrophobicContact CD1-CB 3.7Å; L1093-E1152 HydrophobicContact CG-CB 4.25Å; L1093-E1152 PolarHBondContact N-OE2 2.87Å; Q1148-E1152 HydrophobicContact CG-CG 4.27Å; Q1148-E1152 VanDerWaalsContact CG-OE1 3.3Å; Q1148-E1152 WeakPolarHBondContact CG-OE1 3.48Å; Q1148-E1152 PolarHBondContact NE2-OE1 2.85Å; Q1148-E1152 WeakPolarHBondContact O-CG 3.3Å; Q1148-E1152 PolarHBondContact O-N 3.46Å; E1152-A1154 VanDerWaalsContact C-N 3.33Å; E1152-A1154 PolarHBondContact O-N 3.27Å; E1152-V1155 PolarHBondContact O-N 3.36Å; E1152-L1156 WeakPolarHBondContact O-CG 3.32Å; E1152-L1156 PolarHBondContact O-N 3.17Å; E1152-L1156 VanDerWaalsContact O-N 3.09Å; E1152-F1288 HydrophobicContact CG-CD1 4.29Å |
| 1153 | Q | 94.6 | Very high | 93.3 | Very high | 85 Ų | 85 | 32.7 Ų | 32.7 | 40% | 0.397 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.4 | -35.3 | 178.6 | -160.7 | -166.8 | 60.5 | 0 | 0 | 112.2 | L1093 L1149 A1151 L1156 R1157 | L1093-Q1153 HydrophobicContact CD1-CB 4.03Å; L1149-Q1153 VanDerWaalsContact O-CB 3.25Å; L1149-Q1153 WeakPolarHBondContact O-CB 3.08Å; L1149-Q1153 PolarHBondContact O-N 3.48Å; A1151-Q1153 PolarHBondContact O-N 2.82Å; Q1153-L1156 PolarHBondContact O-N 3.1Å; Q1153-R1157 VanDerWaalsContact O-CG 3.28Å; Q1153-R1157 WeakPolarHBondContact O-CG 3.43Å; Q1153-R1157 PolarHBondContact O-N 3.06Å |
| 1154 | A | 94.8 | Very high | 93 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 15% | 0.149 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | G1150 A1151 E1152 R1157 A1158 I1217 F1221 | G1150-A1154 WeakPolarHBondContact O-CB 3.29Å; G1150-A1154 PolarHBondContact O-N 3.4Å; A1151-A1154 WeakPolarHBondContact O-CB 3.47Å; A1151-A1154 PolarHBondContact O-N 3.07Å; E1152-A1154 VanDerWaalsContact C-N 3.33Å; E1152-A1154 PolarHBondContact O-N 3.27Å; A1154-R1157 PolarHBondContact O-N 3.27Å; A1154-A1158 PolarHBondContact O-N 3.24Å; A1154-I1217 HydrophobicContact CB-CD1 4.22Å; A1154-I1217 HydrophobicContact CB-CG1 4.3Å; A1154-I1217 HydrophobicContact CB-CG2 3.79Å; A1154-F1221 HydrophobicContact CB-CE2 3.65Å; A1154-F1221 HydrophobicContact CB-CZ 4.15Å |
| 1155 | V | 93.5 | Very high | 92.7 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 174.4 | 172 | 0 | 0 | 0 | 0 | 111.2 | P1085 A1151 E1152 A1158 Q1159 L1214 I1217 F1288 | P1085-V1155 HydrophobicContact CG-CG1 4.29Å; A1151-V1155 PolarHBondContact O-N 3.3Å; A1151-V1155 VanDerWaalsContact O-N 3.09Å; E1152-V1155 PolarHBondContact O-N 3.36Å; V1155-A1158 PolarHBondContact O-N 2.8Å; V1155-Q1159 PolarHBondContact O-N 2.96Å; V1155-L1214 HydrophobicContact CG1-CD2 4.08Å; V1155-L1214 HydrophobicContact CG2-CD2 4.37Å; V1155-I1217 HydrophobicContact CG2-CG2 4.18Å; V1155-F1288 HydrophobicContact CG2-CE1 3.6Å; V1155-F1288 HydrophobicContact CG2-CZ 3.81Å |
| 1156 | L | 93.5 | Very high | 92.3 | Very high | 38 Ų | 38 | 36.2 Ų | 36.2 | 20% | 0.199 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.8 | -65.8 | 170.3 | 0 | 0 | 0 | 112.1 | P1085 Y1088 L1093 E1152 Q1153 A1158 Q1159 T1160 | P1085-L1156 HydrophobicContact CG-CD2 3.77Å; Y1088-L1156 HydrophobicContact CD2-CD2 4.01Å; Y1088-L1156 HydrophobicContact CE2-CD1 4.07Å; Y1088-L1156 HydrophobicContact CE2-CD2 3.69Å; L1093-L1156 HydrophobicContact CD1-CD1 3.71Å; E1152-L1156 WeakPolarHBondContact O-CG 3.32Å; E1152-L1156 PolarHBondContact O-N 3.17Å; E1152-L1156 VanDerWaalsContact O-N 3.09Å; Q1153-L1156 PolarHBondContact O-N 3.1Å; L1156-A1158 VanDerWaalsContact C-N 3.3Å; L1156-A1158 PolarHBondContact O-N 3.49Å; L1156-Q1159 PolarHBondContact O-N 2.99Å; L1156-T1160 PolarHBondContact O-N 3.44Å; L1156-T1160 PolarHBondContact O-OG1 2.94Å |
| 1157 | R | 92.8 | Very high | 92 | Very high | 95 Ų | 95 | 35.8 Ų | 35.8 | 36% | 0.358 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.2 | -40.7 | 173.8 | -70.2 | 174 | -165.1 | -99.5 | 14.7 | 111.5 | D239 Q1153 A1154 R1161 | D239-R1157 IonicContact OD1-NH1 2.68Å; Q1153-R1157 VanDerWaalsContact O-CG 3.28Å; Q1153-R1157 WeakPolarHBondContact O-CG 3.43Å; Q1153-R1157 PolarHBondContact O-N 3.06Å; A1154-R1157 PolarHBondContact O-N 3.27Å; R1157-R1161 WeakPolarHBondContact O-CB 3.43Å; R1157-R1161 PolarHBondContact O-N 2.89Å |
| 1158 | A | 92.2 | Very high | 91.4 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 7% | 0.066 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1154 V1155 L1156 R1161 G1162 L1214 I1217 | A1154-A1158 PolarHBondContact O-N 3.24Å; V1155-A1158 PolarHBondContact O-N 2.8Å; L1156-A1158 VanDerWaalsContact C-N 3.3Å; L1156-A1158 PolarHBondContact O-N 3.49Å; A1158-R1161 PolarHBondContact O-N 3.22Å; A1158-G1162 PolarHBondContact O-N 2.7Å; A1158-L1214 HydrophobicContact CB-CD2 4.21Å; A1158-I1217 HydrophobicContact CB-CD1 3.71Å |
| 1159 | Q | 91.7 | Very high | 90.7 | Very high | 29 Ų | 29 | 40.6 Ų | 40.6 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -46.6 | 174.5 | -77.2 | 173.6 | -25.6 | 0 | 0 | 112.5 | P1085 V1155 L1156 R1161 G1162 A1163 F1210 | P1085-Q1159 VanDerWaalsContact CG-OE1 3.27Å; V1155-Q1159 PolarHBondContact O-N 2.96Å; L1156-Q1159 PolarHBondContact O-N 2.99Å; Q1159-R1161 VanDerWaalsContact C-N 3.3Å; Q1159-R1161 PolarHBondContact O-N 3.18Å; Q1159-G1162 PolarHBondContact O-N 3.22Å; Q1159-G1162 VanDerWaalsContact O-N 3.11Å; Q1159-A1163 PolarHBondContact O-N 3.5Å; Q1159-F1210 HydrophobicContact CG-CE2 4.05Å; Q1159-F1210 HydrophobicContact CG-CZ 3.82Å |
| 1160 | T | 91.2 | Very high | 89.8 | Confident | 58 Ų | 58 | 44.2 Ų | 44.2 | 36% | 0.356 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 175.6 | -60.8 | 0 | 0 | 0 | 0 | 111 | P1082 L1156 G1162 A1163 L1164 | P1082-T1160 HydrophobicContact CG-CG2 4.18Å; L1156-T1160 PolarHBondContact O-N 3.44Å; L1156-T1160 PolarHBondContact O-OG1 2.94Å; T1160-G1162 PolarHBondContact O-N 2.79Å; T1160-A1163 PolarHBondContact O-N 3.39Å; T1160-L1164 HydrophobicContact CG2-CD1 4.04Å; T1160-L1164 HydrophobicContact CG2-CG 4.47Å; T1160-L1164 WeakPolarHBondContact O-CB 3.44Å; T1160-L1164 VanDerWaalsContact O-CG 3.26Å; T1160-L1164 WeakPolarHBondContact O-CG 3.29Å; T1160-L1164 PolarHBondContact O-N 2.7Å |
| 1161 | R | 89.9 | Confident | 89 | Confident | 109 Ų | 109 | 46 Ų | 46 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 174.2 | -174.3 | -179.8 | 175.3 | -157.4 | -1.2 | 112.7 | R1157 A1158 Q1159 A1165 W1213 | R1157-R1161 WeakPolarHBondContact O-CB 3.43Å; R1157-R1161 PolarHBondContact O-N 2.89Å; A1158-R1161 PolarHBondContact O-N 3.22Å; Q1159-R1161 VanDerWaalsContact C-N 3.3Å; Q1159-R1161 PolarHBondContact O-N 3.18Å; R1161-A1165 VanDerWaalsContact O-CB 3.25Å; R1161-A1165 WeakPolarHBondContact O-CB 3.5Å; R1161-A1165 PolarHBondContact O-N 2.95Å; R1161-W1213 HydrophobicContact CB-CZ3 4.32Å; R1161-W1213 HydrophobicContact CG-CH2 4.18Å; R1161-W1213 HydrophobicContact CG-CZ3 3.87Å |
| 1162 | G | 91.2 | Very high | 88.4 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | A1158 Q1159 T1160 A1165 V1166 | A1158-G1162 PolarHBondContact O-N 2.7Å; Q1159-G1162 PolarHBondContact O-N 3.22Å; Q1159-G1162 VanDerWaalsContact O-N 3.11Å; T1160-G1162 PolarHBondContact O-N 2.79Å; G1162-A1165 PolarHBondContact O-N 2.92Å; G1162-V1166 WeakPolarHBondContact O-CG2 3.45Å; G1162-V1166 PolarHBondContact O-N 3.16Å |
| 1163 | A | 90.1 | Very high | 87.9 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1080 P1082 Q1159 T1160 A1165 V1166 A1167 | V1080-A1163 HydrophobicContact CG1-CB 3.6Å; P1082-A1163 HydrophobicContact CB-CB 3.97Å; P1082-A1163 HydrophobicContact CG-CB 4.1Å; Q1159-A1163 PolarHBondContact O-N 3.5Å; T1160-A1163 PolarHBondContact O-N 3.39Å; A1163-A1165 VanDerWaalsContact C-N 3.32Å; A1163-A1165 PolarHBondContact O-N 2.86Å; A1163-V1166 PolarHBondContact O-N 3.45Å; A1163-A1167 PolarHBondContact O-N 2.88Å |
| 1164 | L | 88.4 | Confident | 87.3 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 174.4 | -72.1 | 171 | 0 | 0 | 0 | 112 | V1080 T1160 A1167 N1168 Q1169 P1172 | V1080-L1164 HydrophobicContact CB-CD2 4.08Å; V1080-L1164 HydrophobicContact CG1-CD2 4.3Å; V1080-L1164 HydrophobicContact CG2-CD2 4.08Å; T1160-L1164 HydrophobicContact CG2-CD1 4.04Å; T1160-L1164 HydrophobicContact CG2-CG 4.47Å; T1160-L1164 WeakPolarHBondContact O-CB 3.44Å; T1160-L1164 VanDerWaalsContact O-CG 3.26Å; T1160-L1164 WeakPolarHBondContact O-CG 3.29Å; T1160-L1164 PolarHBondContact O-N 2.7Å; L1164-A1167 CarbonylContact O-C 3.5Å; L1164-A1167 WeakPolarHBondContact O-CA 3.23Å; L1164-A1167 PolarHBondContact O-N 3.42Å; L1164-N1168 PolarHBondContact O-N 3.49Å; L1164-N1168 VanDerWaalsContact O-N 3.11Å; L1164-Q1169 HydrophobicContact CD2-CB 4.44Å; L1164-Q1169 PolarHBondContact O-N 2.95Å; L1164-P1172 HydrophobicContact CD1-CB 4.15Å; L1164-P1172 HydrophobicContact CD2-CB 4.15Å |
| 1165 | A | 87.6 | Confident | 86.6 | Confident | 30 Ų | 30 | 57.3 Ų | 57.3 | 25% | 0.248 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.4 | -28.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1161 G1162 A1163 A1167 N1168 F1205 | R1161-A1165 VanDerWaalsContact O-CB 3.25Å; R1161-A1165 WeakPolarHBondContact O-CB 3.5Å; R1161-A1165 PolarHBondContact O-N 2.95Å; G1162-A1165 PolarHBondContact O-N 2.92Å; A1163-A1165 VanDerWaalsContact C-N 3.32Å; A1163-A1165 PolarHBondContact O-N 2.86Å; A1165-A1167 VanDerWaalsContact C-N 3.34Å; A1165-N1168 PolarHBondContact O-N 3.03Å; A1165-F1205 HydrophobicContact CB-CB 3.69Å; A1165-F1205 HydrophobicContact CB-CD1 4.37Å; A1165-F1205 HydrophobicContact CB-CD2 3.62Å; A1165-F1205 HydrophobicContact CB-CE2 4.33Å; A1165-F1205 HydrophobicContact CB-CG 3.63Å |
| 1166 | V | 86.6 | Confident | 86 | Confident | 101 Ų | 101 | 60.6 Ų | 60.6 | 61% | 0.612 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.3 | -37.4 | 166.8 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | G1162 A1163 N1168 F1205 | G1162-V1166 WeakPolarHBondContact O-CG2 3.45Å; G1162-V1166 PolarHBondContact O-N 3.16Å; A1163-V1166 PolarHBondContact O-N 3.45Å; V1166-N1168 PolarHBondContact O-N 3.24Å; V1166-F1205 HydrophobicContact CG2-CD1 3.74Å; V1166-F1205 HydrophobicContact CG2-CE1 3.43Å; V1166-F1205 VanDerWaalsContact CG2-CE1 3.43Å; V1166-F1205 HydrophobicContact CG2-CZ 4.38Å |
| 1167 | A | 86.2 | Confident | 85.2 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 30% | 0.298 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1080 A1163 L1164 A1165 Q1169 | V1080-A1167 HydrophobicContact CG2-CB 3.46Å; V1080-A1167 VanDerWaalsContact CG2-CB 3.46Å; A1163-A1167 PolarHBondContact O-N 2.88Å; L1164-A1167 CarbonylContact O-C 3.5Å; L1164-A1167 WeakPolarHBondContact O-CA 3.23Å; L1164-A1167 PolarHBondContact O-N 3.42Å; A1165-A1167 VanDerWaalsContact C-N 3.34Å; A1167-Q1169 PolarHBondContact O-N 3.12Å |
| 1168 | N | 83 | Confident | 84.5 | Confident | 112 Ų | 112 | 56.3 Ų | 56.3 | 60% | 0.599 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 28.5 | -173.6 | -46.3 | -68.6 | 0 | 0 | 0 | 114.4 | L1164 A1165 V1166 | L1164-N1168 PolarHBondContact O-N 3.49Å; L1164-N1168 VanDerWaalsContact O-N 3.11Å; A1165-N1168 PolarHBondContact O-N 3.03Å; V1166-N1168 PolarHBondContact O-N 3.24Å |
| 1169 | Q | 78.3 | Confident | 83.7 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | trans | -108.8 | 129.1 | -176.4 | -78.7 | 174.3 | -1.3 | 0 | 0 | 112.4 | N1076 V1078 L1164 A1167 | N1076-Q1169 PolarHBondContact O-NE2 2.84Å; V1078-Q1169 PolarHBondContact O-OE1 3.11Å; L1164-Q1169 HydrophobicContact CD2-CB 4.44Å; L1164-Q1169 PolarHBondContact O-N 2.95Å; A1167-Q1169 PolarHBondContact O-N 3.12Å | ||
| 1170 | S | 77 | Confident | 82.8 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 67% | 0.671 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -90.1 | -21.4 | -179.4 | 56.8 | 0 | 0 | 0 | 0 | 114 | ||
| 1171 | K | 76.9 | Confident | 81.8 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -116.6 | 144.9 | 169.6 | -69.1 | -162.6 | -167.3 | 173 | 0 | 110 | L1077 S1180 Y1181 | L1077-K1171 HydrophobicContact CD2-CB 4.46Å; K1171-S1180 PolarHBondContact NZ-OG 2.83Å; K1171-Y1181 HydrophobicContact CD-CE1 4.26Å; K1171-Y1181 HydrophobicContact CD-CE2 4.22Å; K1171-Y1181 WeakPolarHBondContact CD-OH 3.43Å |
| 1172 | P | 82.7 | Confident | 80.8 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 31% | 0.312 | 30% | 0.302 | S | S | . | . | trans | -73.5 | 140.4 | 171.9 | 29.4 | -32.5 | 0 | 0 | 0 | 111.9 | L1164 S1174 S1177 | L1164-P1172 HydrophobicContact CD1-CB 4.15Å; L1164-P1172 HydrophobicContact CD2-CB 4.15Å; P1172-S1174 WeakPolarHBondContact O-CB 3.5Å; P1172-S1174 PolarHBondContact O-N 3.39Å; P1172-S1174 PolarHBondContact O-OG 3.27Å; P1172-S1177 VanDerWaalsContact O-CB 3.29Å; P1172-S1177 WeakPolarHBondContact O-CB 3.4Å; P1172-S1177 PolarHBondContact O-OG 3.05Å | ||
| 1173 | Y | 82.8 | Confident | 79.4 | Confident | 123 Ų | 123 | 57.3 Ų | 57.3 | 48% | 0.482 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -55.9 | 110.2 | 164 | -175.4 | -77.1 | 0 | 0 | 0 | 109.1 | L1077 V1078 | L1077-Y1173 HydrophobicContact CB-CD2 3.64Å; L1077-Y1173 HydrophobicContact CB-CE2 4.43Å; L1077-Y1173 HydrophobicContact CB-CG 4.43Å; V1078-Y1173 WeakPolarHBondContact O-CB 3.22Å |
| 1174 | S | 82 | Confident | 77.9 | Confident | 35 Ų | 35 | 62.2 Ų | 62.2 | 25% | 0.245 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -165.2 | 148.2 | -168.2 | 54.9 | 0 | 0 | 0 | 0 | 110.2 | P1172 C1176 S1177 I1178 | P1172-S1174 WeakPolarHBondContact O-CB 3.5Å; P1172-S1174 PolarHBondContact O-N 3.39Å; P1172-S1174 PolarHBondContact O-OG 3.27Å; S1174-C1176 PolarHBondContact O-N 2.82Å; S1174-S1177 WeakPolarHBondContact O-CA 3.12Å; S1174-S1177 PolarHBondContact O-N 3.35Å; S1174-S1177 VanDerWaalsContact OG-CB 3.23Å; S1174-S1177 WeakPolarHBondContact OG-CB 3.15Å; S1174-S1177 PolarHBondContact OG-N 2.93Å; S1174-S1177 PolarHBondContact OG-OG 3.48Å; S1174-I1178 WeakPolarHBondContact O-CG1 3.33Å; S1174-I1178 PolarHBondContact O-N 3.38Å |
| 1175 | F | 80.9 | Confident | 76.3 | Confident | 133 Ų | 133 | 63.9 Ų | 63.9 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -55.1 | -38.8 | 176.3 | -177.7 | -108.4 | 0 | 0 | 0 | 112.3 | I1178 L1179 | F1175-I1178 PolarHBondContact O-N 3.12Å; F1175-L1179 HydrophobicContact CD1-CD1 3.94Å; F1175-L1179 HydrophobicContact CD1-CG 4.28Å; F1175-L1179 HydrophobicContact CE1-CD1 3.36Å; F1175-L1179 HydrophobicContact CE1-CG 3.96Å; F1175-L1179 HydrophobicContact CE2-CD1 4.45Å; F1175-L1179 HydrophobicContact CE2-CD2 4.26Å; F1175-L1179 HydrophobicContact CE2-CG 4.24Å; F1175-L1179 HydrophobicContact CZ-CD1 3.66Å; F1175-L1179 HydrophobicContact CZ-CD2 4.07Å; F1175-L1179 HydrophobicContact CZ-CG 3.94Å; F1175-L1179 WeakPolarHBondContact O-CB 3.49Å; F1175-L1179 WeakPolarHBondContact O-CG 3.35Å; F1175-L1179 PolarHBondContact O-N 3.26Å |
| 1176 | C | 80.3 | Confident | 74.4 | Confident | 83 Ų | 83 | 71.3 Ų | 71.3 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | S1174 I1178 L1179 S1180 | S1174-C1176 PolarHBondContact O-N 2.82Å; C1176-I1178 PolarHBondContact O-N 3.2Å; C1176-L1179 PolarHBondContact O-N 3.15Å; C1176-S1180 VanDerWaalsContact O-CB 3.24Å; C1176-S1180 WeakPolarHBondContact O-CB 3.44Å; C1176-S1180 PolarHBondContact O-N 3.07Å; C1176-S1180 PolarHBondContact O-OG 3.23Å |
| 1177 | S | 76.7 | Confident | 72.8 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 6% | 0.056 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 176.5 | -66 | 0 | 0 | 0 | 0 | 112.1 | P1172 S1174 S1180 Y1181 | P1172-S1177 VanDerWaalsContact O-CB 3.29Å; P1172-S1177 WeakPolarHBondContact O-CB 3.4Å; P1172-S1177 PolarHBondContact O-OG 3.05Å; S1174-S1177 WeakPolarHBondContact O-CA 3.12Å; S1174-S1177 PolarHBondContact O-N 3.35Å; S1174-S1177 VanDerWaalsContact OG-CB 3.23Å; S1174-S1177 WeakPolarHBondContact OG-CB 3.15Å; S1174-S1177 PolarHBondContact OG-N 2.93Å; S1174-S1177 PolarHBondContact OG-OG 3.48Å; S1177-S1180 VanDerWaalsContact CA-OG 3.3Å; S1177-S1180 WeakPolarHBondContact CA-OG 3.14Å; S1177-S1180 CarbonylContact O-C 3.38Å; S1177-S1180 PolarHBondContact O-N 2.95Å; S1177-S1180 PolarHBondContact O-OG 3.1Å; S1177-Y1181 VanDerWaalsContact O-CD2 3.24Å; S1177-Y1181 WeakPolarHBondContact O-CD2 3.33Å; S1177-Y1181 PolarHBondContact O-N 3.49Å |
| 1178 | I | 78.6 | Confident | 71 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 17% | 0.174 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 176.5 | -63 | 165.9 | 0 | 0 | 0 | 111.3 | L1077 S1174 F1175 C1176 S1180 Y1181 N1182 | L1077-I1178 HydrophobicContact CD1-CG1 4.21Å; S1174-I1178 WeakPolarHBondContact O-CG1 3.33Å; S1174-I1178 PolarHBondContact O-N 3.38Å; F1175-I1178 PolarHBondContact O-N 3.12Å; C1176-I1178 PolarHBondContact O-N 3.2Å; I1178-S1180 VanDerWaalsContact C-N 3.3Å; I1178-S1180 PolarHBondContact O-N 3.43Å; I1178-Y1181 PolarHBondContact O-N 2.91Å; I1178-Y1181 VanDerWaalsContact O-N 3.07Å; I1178-N1182 WeakPolarHBondContact O-CB 3.34Å; I1178-N1182 PolarHBondContact O-N 2.89Å |
| 1179 | L | 76.3 | Confident | 69.4 | Low | 27 Ų | 27 | 70.9 Ų | 70.9 | 14% | 0.141 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.8 | -30.8 | 172.6 | -69.6 | -171.3 | 0 | 0 | 0 | 113.2 | F1175 C1176 Y1181 L1184 T1185 | F1175-L1179 HydrophobicContact CD1-CD1 3.94Å; F1175-L1179 HydrophobicContact CD1-CG 4.28Å; F1175-L1179 HydrophobicContact CE1-CD1 3.36Å; F1175-L1179 HydrophobicContact CE1-CG 3.96Å; F1175-L1179 HydrophobicContact CE2-CD1 4.45Å; F1175-L1179 HydrophobicContact CE2-CD2 4.26Å; F1175-L1179 HydrophobicContact CE2-CG 4.24Å; F1175-L1179 HydrophobicContact CZ-CD1 3.66Å; F1175-L1179 HydrophobicContact CZ-CD2 4.07Å; F1175-L1179 HydrophobicContact CZ-CG 3.94Å; F1175-L1179 WeakPolarHBondContact O-CB 3.49Å; F1175-L1179 WeakPolarHBondContact O-CG 3.35Å; F1175-L1179 PolarHBondContact O-N 3.26Å; C1176-L1179 PolarHBondContact O-N 3.15Å; L1179-Y1181 PolarHBondContact O-N 3.38Å; L1179-L1184 HydrophobicContact CD2-CB 3.83Å; L1179-L1184 HydrophobicContact CD2-CD1 3.64Å; L1179-L1184 HydrophobicContact CD2-CG 4.4Å; L1179-T1185 VanDerWaalsContact C-OG1 3.24Å; L1179-T1185 HydrophobicContact CB-CG2 4.06Å; L1179-T1185 HydrophobicContact CD1-CG2 4.41Å; L1179-T1185 PolarHBondContact O-N 3.15Å; L1179-T1185 PolarHBondContact O-OG1 2.92Å |
| 1180 | S | 71.4 | Confident | 67.7 | Low | 23 Ų | 23 | 75.2 Ų | 75.2 | 16% | 0.161 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 6.1 | 172.7 | 80.1 | 0 | 0 | 0 | 0 | 113.6 | K1171 C1176 S1177 I1178 T1185 I1187 | K1171-S1180 PolarHBondContact NZ-OG 2.83Å; C1176-S1180 VanDerWaalsContact O-CB 3.24Å; C1176-S1180 WeakPolarHBondContact O-CB 3.44Å; C1176-S1180 PolarHBondContact O-N 3.07Å; C1176-S1180 PolarHBondContact O-OG 3.23Å; S1177-S1180 VanDerWaalsContact CA-OG 3.3Å; S1177-S1180 WeakPolarHBondContact CA-OG 3.14Å; S1177-S1180 CarbonylContact O-C 3.38Å; S1177-S1180 PolarHBondContact O-N 2.95Å; S1177-S1180 PolarHBondContact O-OG 3.1Å; I1178-S1180 VanDerWaalsContact C-N 3.3Å; I1178-S1180 PolarHBondContact O-N 3.43Å; S1180-T1185 VanDerWaalsContact CA-OG1 3.32Å; S1180-T1185 WeakPolarHBondContact CA-OG1 3.27Å; S1180-T1185 PolarHBondContact N-OG1 3.38Å; S1180-I1187 VanDerWaalsContact O-CD1 3.23Å; S1180-I1187 WeakPolarHBondContact O-CD1 3.45Å |
| 1181 | Y | 71.5 | Confident | 65.9 | Low | 24 Ų | 24 | 73.4 Ų | 73.4 | 9% | 0.094 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -53.8 | 162.7 | -67.5 | -42.3 | 0 | 0 | 0 | 109.6 | L1070 L1073 V1074 L1077 K1171 S1177 I1178 L1179 D1183 | L1070-Y1181 WeakPolarHBondContact CD1-O 3.45Å; L1070-Y1181 WeakPolarHBondContact CD2-O 3.21Å; L1070-Y1181 WeakPolarHBondContact CG-O 3.07Å; L1073-Y1181 HydrophobicContact CD1-CE1 4.46Å; L1073-Y1181 HydrophobicContact CD2-CD1 3.65Å; L1073-Y1181 HydrophobicContact CD2-CE1 3.23Å; L1073-Y1181 HydrophobicContact CD2-CE2 4.48Å; L1073-Y1181 HydrophobicContact CD2-CG 4.43Å; L1073-Y1181 HydrophobicContact CG-CD1 3.98Å; L1073-Y1181 HydrophobicContact CG-CD2 4.28Å; L1073-Y1181 HydrophobicContact CG-CE1 3.59Å; L1073-Y1181 HydrophobicContact CG-CE2 3.91Å; L1073-Y1181 HydrophobicContact CG-CG 4.32Å; V1074-Y1181 HydrophobicContact CG2-CD2 3.99Å; V1074-Y1181 HydrophobicContact CG2-CG 4.3Å; L1077-Y1181 HydrophobicContact CD1-CD2 4.14Å; L1077-Y1181 HydrophobicContact CD1-CE2 3.85Å; L1077-Y1181 HydrophobicContact CD2-CE2 4.18Å; L1077-Y1181 HydrophobicContact CG-CE2 4.12Å; K1171-Y1181 HydrophobicContact CD-CE1 4.26Å; K1171-Y1181 HydrophobicContact CD-CE2 4.22Å; K1171-Y1181 WeakPolarHBondContact CD-OH 3.43Å; S1177-Y1181 VanDerWaalsContact O-CD2 3.24Å; S1177-Y1181 WeakPolarHBondContact O-CD2 3.33Å; S1177-Y1181 PolarHBondContact O-N 3.49Å; I1178-Y1181 PolarHBondContact O-N 2.91Å; I1178-Y1181 VanDerWaalsContact O-N 3.07Å; L1179-Y1181 PolarHBondContact O-N 3.38Å; Y1181-D1183 PolarHBondContact O-N 2.92Å |
| 1182 | N | 68.1 | Low | 64 | Low | 68 Ų | 68 | 77.3 Ų | 77.3 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 20.9 | -174.8 | -67.3 | -4.7 | 0 | 0 | 0 | 116.9 | I1178 L1184 | I1178-N1182 WeakPolarHBondContact O-CB 3.34Å; I1178-N1182 PolarHBondContact O-N 2.89Å; N1182-L1184 HydrophobicContact CB-CD1 4.1Å; N1182-L1184 HydrophobicContact CB-CG 4.42Å; N1182-L1184 WeakPolarHBondContact O-CG 3.21Å; N1182-L1184 PolarHBondContact O-N 3.1Å |
| 1183 | D | 61.4 | Low | 62.1 | Low | 89 Ų | 89 | 81.4 Ų | 81.4 | 48% | 0.476 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 6 | -177.3 | -67.5 | -34 | 0 | 0 | 0 | 115.6 | Y1181 T1185 | Y1181-D1183 PolarHBondContact O-N 2.92Å; D1183-T1185 VanDerWaalsContact C-N 3.25Å; D1183-T1185 PolarHBondContact O-N 3.14Å |
| 1184 | L | 59.2 | Low | 59.8 | Low | 123 Ų | 123 | 80.4 Ų | 80.4 | 64% | 0.644 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -78.9 | -4.2 | 179.8 | -74.1 | 167.6 | 0 | 0 | 0 | 113.8 | L1179 N1182 | L1179-L1184 HydrophobicContact CD2-CB 3.83Å; L1179-L1184 HydrophobicContact CD2-CD1 3.64Å; L1179-L1184 HydrophobicContact CD2-CG 4.4Å; N1182-L1184 HydrophobicContact CB-CD1 4.1Å; N1182-L1184 HydrophobicContact CB-CG 4.42Å; N1182-L1184 WeakPolarHBondContact O-CG 3.21Å; N1182-L1184 PolarHBondContact O-N 3.1Å |
| 1185 | T | 55 | Low | 57.7 | Low | 57 Ų | 57 | 85.6 Ų | 85.6 | 35% | 0.35 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -132.8 | 147.9 | 166.8 | 48.3 | 0 | 0 | 0 | 0 | 108.5 | L1179 S1180 D1183 I1187 | L1179-T1185 VanDerWaalsContact C-OG1 3.24Å; L1179-T1185 HydrophobicContact CB-CG2 4.06Å; L1179-T1185 HydrophobicContact CD1-CG2 4.41Å; L1179-T1185 PolarHBondContact O-N 3.15Å; L1179-T1185 PolarHBondContact O-OG1 2.92Å; S1180-T1185 VanDerWaalsContact CA-OG1 3.32Å; S1180-T1185 WeakPolarHBondContact CA-OG1 3.27Å; S1180-T1185 PolarHBondContact N-OG1 3.38Å; D1183-T1185 VanDerWaalsContact C-N 3.25Å; D1183-T1185 PolarHBondContact O-N 3.14Å; T1185-I1187 PolarHBondContact O-N 3.02Å |
| 1186 | Y | 47.8 | Very low | 55.9 | Low | 186 Ų | 186 | 85.6 Ų | 85.6 | 73% | 0.729 | 46% | 0.459 | S | S | * | . | trans | -60.3 | 102.3 | 178.1 | 178.2 | -95.2 | 0 | 0 | 0 | 109.8 | P1188 | Y1186-P1188 HydrophobicContact CD1-CB 4.49Å; Y1186-P1188 HydrophobicContact CD1-CG 4.04Å; Y1186-P1188 HydrophobicContact CE1-CB 3.9Å; Y1186-P1188 HydrophobicContact CE1-CG 3.88Å; Y1186-P1188 VanDerWaalsContact O-CD 3.27Å; Y1186-P1188 WeakPolarHBondContact O-CD 3.44Å | ||
| 1187 | I | 53.5 | Low | 54.1 | Low | 60 Ų | 60 | 90 Ų | 90 | 31% | 0.308 | 47% | 0.471 | S | S | . | . | trans | -77.7 | 110.8 | 165.9 | -50.1 | 175.2 | 0 | 0 | 0 | 105.4 | S1180 T1185 V1190 | S1180-I1187 VanDerWaalsContact O-CD1 3.23Å; S1180-I1187 WeakPolarHBondContact O-CD1 3.45Å; T1185-I1187 PolarHBondContact O-N 3.02Å; I1187-V1190 HydrophobicContact CG2-CG2 4.4Å | ||
| 1188 | P | 48.4 | Very low | 52.4 | Low | 69 Ų | 69 | 97.5 Ų | 97.5 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | trans | -59.6 | 128.1 | 171.1 | -15.3 | 30 | 0 | 0 | 0 | 106.7 | Y1186 V1190 | Y1186-P1188 HydrophobicContact CD1-CB 4.49Å; Y1186-P1188 HydrophobicContact CD1-CG 4.04Å; Y1186-P1188 HydrophobicContact CE1-CB 3.9Å; Y1186-P1188 HydrophobicContact CE1-CG 3.88Å; Y1186-P1188 VanDerWaalsContact O-CD 3.27Å; Y1186-P1188 WeakPolarHBondContact O-CD 3.44Å; P1188-V1190 WeakPolarHBondContact O-CG2 3.3Å; P1188-V1190 PolarHBondContact O-N 3.44Å | ||
| 1189 | P | 47.7 | Very low | 51.1 | Low | 111 Ų | 111 | 103.2 Ų | 103.2 | 72% | 0.721 | 53% | 0.532 | S | S | * | . | trans | -59.6 | 104 | -169.3 | 21.2 | -32.7 | 0 | 0 | 0 | 110.2 | G1191 | P1189-G1191 PolarHBondContact O-N 3.48Š| ||
| 1190 | V | 43.5 | Very low | 49.5 | Very low | 120 Ų | 120 | 106.1 Ų | 106.1 | 73% | 0.727 | 55% | 0.547 | S | S | * | . | trans | -68.5 | 98.1 | -176.5 | -171.3 | 0 | 0 | 0 | 0 | 106.8 | I1187 P1188 K1192 | I1187-V1190 HydrophobicContact CG2-CG2 4.4Å; P1188-V1190 WeakPolarHBondContact O-CG2 3.3Å; P1188-V1190 PolarHBondContact O-N 3.44Å; V1190-K1192 VanDerWaalsContact C-N 3.34Å; V1190-K1192 PolarHBondContact O-N 2.91Å | ||
| 1191 | G | 38.5 | Very low | 48.2 | Very low | 59 Ų | 59 | 112.5 Ų | 112.5 | 61% | 0.608 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -60 | 87.5 | -162.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1189 | P1189-G1191 PolarHBondContact O-N 3.48Š|
| 1192 | K | 37.2 | Very low | 47.2 | Very low | 143 Ų | 143 | 122 Ų | 122 | 62% | 0.622 | 61% | 0.614 | S | S | * | * | trans | 59.6 | 138.3 | -166.8 | -68.3 | -170.1 | 170.4 | -170.4 | 0 | 115.4 | V1190 E1194 | V1190-K1192 VanDerWaalsContact C-N 3.34Å; V1190-K1192 PolarHBondContact O-N 2.91Å; K1192-E1194 HydrophobicContact CB-CB 4.2Å; K1192-E1194 HydrophobicContact CB-CG 4.03Å; K1192-E1194 HydrophobicContact CD-CG 3.9Å; K1192-E1194 WeakPolarHBondContact CD-OE1 3.41Å; K1192-E1194 WeakPolarHBondContact CD-OE2 3.47Å; K1192-E1194 WeakPolarHBondContact CE-OE1 3.43Å; K1192-E1194 IonicContact NZ-OE1 2.69Å; K1192-E1194 PolarHBondContact NZ-OE1 2.85Å; K1192-E1194 IonicContact NZ-OE2 2.67Å; K1192-E1194 PolarHBondContact O-N 3.49Å | ||
| 1193 | L | 43.8 | Very low | 46.9 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 71% | 0.707 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -74.5 | 54.4 | 162.3 | -168 | 72.2 | 0 | 0 | 0 | 110.5 | R1196 | L1193-R1196 HydrophobicContact CD1-CB 3.96Å; L1193-R1196 HydrophobicContact CG-CB 4.41Å |
| 1194 | E | 33.9 | Very low | 47.2 | Very low | 101 Ų | 101 | 129 Ų | 129 | 47% | 0.472 | 64% | 0.637 | S | S | . | * | trans | -94.8 | -6.5 | 177.5 | -89.8 | 175.3 | 178.7 | 0 | 0 | 112.8 | K1192 | K1192-E1194 HydrophobicContact CB-CB 4.2Å; K1192-E1194 HydrophobicContact CB-CG 4.03Å; K1192-E1194 HydrophobicContact CD-CG 3.9Å; K1192-E1194 WeakPolarHBondContact CD-OE1 3.41Å; K1192-E1194 WeakPolarHBondContact CD-OE2 3.47Å; K1192-E1194 WeakPolarHBondContact CE-OE1 3.43Å; K1192-E1194 IonicContact NZ-OE1 2.69Å; K1192-E1194 PolarHBondContact NZ-OE1 2.85Å; K1192-E1194 IonicContact NZ-OE2 2.67Å; K1192-E1194 PolarHBondContact O-N 3.49Å | ||
| 1195 | N | 38.4 | Very low | 48.4 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 78% | 0.775 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -113.6 | 9.2 | -174.3 | -81.1 | 39.5 | 0 | 0 | 0 | 114.8 | ||
| 1196 | R | 43.1 | Very low | 49.9 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 50% | 0.498 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -97 | -11.1 | 176.3 | -159.3 | 172.5 | -178 | -171.1 | -3.2 | 113.6 | L1193 | L1193-R1196 HydrophobicContact CD1-CB 3.96Å; L1193-R1196 HydrophobicContact CG-CB 4.41Å |
| 1197 | E | 42.1 | Very low | 51.8 | Low | 176 Ų | 176 | 121.1 Ų | 121.1 | 82% | 0.822 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -90.5 | -12.3 | 179.4 | -65.2 | 173.7 | -157.8 | 0 | 0 | 112.8 | ||
| 1198 | E | 41.6 | Very low | 53.5 | Low | 165 Ų | 165 | 128.3 Ų | 128.3 | 77% | 0.771 | 64% | 0.635 | S | S | * | * | trans | -104.6 | 24.6 | 177.5 | -61.5 | -167.2 | 155.4 | 0 | 0 | 113.4 | N1200 | E1198-N1200 PolarHBondContact O-N 3.3Š| ||
| 1199 | E | 50.6 | Low | 55.5 | Low | 155 Ų | 155 | 126.4 Ų | 126.4 | 72% | 0.724 | 62% | 0.622 | S | S | * | * | trans | -72.5 | 81.7 | 171.3 | -167.3 | 159.4 | -137.6 | 0 | 0 | 109.9 | I1201 | E1199-I1201 PolarHBondContact O-N 3.16Š| ||
| 1200 | N | 43.7 | Very low | 57.6 | Low | 87 Ų | 87 | 123.5 Ų | 123.5 | 47% | 0.465 | 60% | 0.598 | S | S | . | * | trans | -39.6 | 120.6 | 179.7 | 165.5 | 37.3 | 0 | 0 | 0 | 112.4 | E1198 R1202 D1203 | E1198-N1200 PolarHBondContact O-N 3.3Å; N1200-R1202 PolarHBondContact O-N 3.48Å; N1200-R1202 WeakPolarHBondContact OD1-CB 3.5Å; N1200-R1202 PolarHBondContact OD1-N 3.38Å; N1200-D1203 WeakPolarHBondContact CB-OD2 3.26Å; N1200-D1203 PolarHBondContact ND2-OD2 2.61Å; N1200-D1203 PolarHBondContact O-N 2.92Å | ||
| 1201 | I | 44 | Very low | 59.9 | Low | 157 Ų | 157 | 123 Ų | 123 | 81% | 0.805 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -51.5 | -27 | -174.7 | -58.3 | 167 | 0 | 0 | 0 | 112.6 | E1199 D1203 R1204 | E1199-I1201 PolarHBondContact O-N 3.16Å; I1201-D1203 VanDerWaalsContact C-N 3.32Å; I1201-D1203 PolarHBondContact O-N 3.36Å; I1201-R1204 WeakPolarHBondContact O-CB 3.31Å; I1201-R1204 PolarHBondContact O-N 3.36Å |
| 1202 | R | 48.9 | Very low | 62.5 | Low | 225 Ų | 225 | 120.8 Ų | 120.8 | 85% | 0.849 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -71.1 | -19.6 | 179 | -158.6 | 175.5 | -173 | 158 | 1 | 114.5 | N1200 R1204 | N1200-R1202 PolarHBondContact O-N 3.48Å; N1200-R1202 WeakPolarHBondContact OD1-CB 3.5Å; N1200-R1202 PolarHBondContact OD1-N 3.38Å; R1202-R1204 VanDerWaalsContact C-N 3.3Å |
| 1203 | D | 61.8 | Low | 65.2 | Low | 121 Ų | 121 | 115.3 Ų | 115.3 | 65% | 0.647 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -88.9 | 4.9 | 179 | -66.7 | -59 | 0 | 0 | 0 | 113 | N1200 I1201 F1205 | N1200-D1203 WeakPolarHBondContact CB-OD2 3.26Å; N1200-D1203 PolarHBondContact ND2-OD2 2.61Å; N1200-D1203 PolarHBondContact O-N 2.92Å; I1201-D1203 VanDerWaalsContact C-N 3.32Å; I1201-D1203 PolarHBondContact O-N 3.36Å; D1203-F1205 PolarHBondContact O-N 3.12Å |
| 1204 | R | 69 | Low | 67.5 | Low | 182 Ų | 182 | 110.9 Ų | 110.9 | 69% | 0.687 | 52% | 0.52 | S | S | * | . | trans | -56 | 132 | 175.8 | -170.5 | 178.3 | -172.8 | -141.3 | 0.2 | 111.7 | I1201 R1202 T1206 | I1201-R1204 WeakPolarHBondContact O-CB 3.31Å; I1201-R1204 PolarHBondContact O-N 3.36Å; R1202-R1204 VanDerWaalsContact C-N 3.3Å; R1204-T1206 PolarHBondContact O-N 2.76Å; R1204-T1206 PolarHBondContact O-OG1 2.89Å | ||
| 1205 | F | 83.5 | Confident | 70.4 | Confident | 45 Ų | 45 | 110.7 Ų | 110.7 | 20% | 0.197 | 52% | 0.519 | C | S | . | . | trans | -51.9 | 134.2 | 179.5 | 176.4 | -93.2 | 0 | 0 | 0 | 112.8 | A1165 V1166 D1203 F1210 W1213 | A1165-F1205 HydrophobicContact CB-CB 3.69Å; A1165-F1205 HydrophobicContact CB-CD1 4.37Å; A1165-F1205 HydrophobicContact CB-CD2 3.62Å; A1165-F1205 HydrophobicContact CB-CE2 4.33Å; A1165-F1205 HydrophobicContact CB-CG 3.63Å; V1166-F1205 HydrophobicContact CG2-CD1 3.74Å; V1166-F1205 HydrophobicContact CG2-CE1 3.43Å; V1166-F1205 VanDerWaalsContact CG2-CE1 3.43Å; V1166-F1205 HydrophobicContact CG2-CZ 4.38Å; D1203-F1205 PolarHBondContact O-N 3.12Å; F1205-F1210 HydrophobicContact CE2-CB 3.84Å; F1205-F1210 HydrophobicContact CZ-CB 3.71Å; F1205-F1210 HydrophobicContact CZ-CG 4.36Å; F1205-W1213 AromaticContact CD2-CH2 3.89Å; F1205-W1213 HydrophobicContact CD2-CH2 3.89Å; F1205-W1213 HydrophobicContact CD2-CZ3 4.29Å; F1205-W1213 AromaticContact CE2-CH2 3.95Å; F1205-W1213 HydrophobicContact CE2-CH2 3.95Å; F1205-W1213 AromaticContact CE2-CZ3 3.88Å; F1205-W1213 HydrophobicContact CE2-CZ3 3.88Å | ||
| 1206 | T | 86.1 | Confident | 73.1 | Confident | 63 Ų | 63 | 104.4 Ų | 104.4 | 39% | 0.387 | 49% | 0.485 | S | S | . | . | trans | -138.4 | 140 | -175.5 | -64.6 | 0 | 0 | 0 | 0 | 108.3 | R1204 R1208 T1209 | R1204-T1206 PolarHBondContact O-N 2.76Å; R1204-T1206 PolarHBondContact O-OG1 2.89Å; T1206-R1208 HydrophobicContact CG2-CB 4.26Å; T1206-R1208 HydrophobicContact CG2-CG 4.35Å; T1206-R1208 PolarHBondContact O-N 3.43Å; T1206-T1209 PolarHBondContact O-N 3.14Å; T1206-T1209 PolarHBondContact O-OG1 3.37Å | ||
| 1207 | P | 87.7 | Confident | 75.5 | Confident | 92 Ų | 92 | 99.4 Ų | 99.4 | 60% | 0.597 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -52.9 | -26.7 | -178.6 | -30.5 | 36.6 | 0 | 0 | 0 | 115.3 | F1210 I1211 | P1207-F1210 PolarHBondContact O-N 3.15Å; P1207-I1211 WeakPolarHBondContact O-CG1 3.42Å; P1207-I1211 PolarHBondContact O-N 3.2Å; P1207-I1211 VanDerWaalsContact O-N 3.08Å |
| 1208 | R | 90.2 | Very high | 78 | Confident | 212 Ų | 212 | 93.8 Ų | 93.8 | 80% | 0.8 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.5 | -36.3 | 173.1 | -60.6 | -174.5 | -169.9 | -84.8 | 1 | 113.5 | T1206 I1211 G1212 | T1206-R1208 HydrophobicContact CG2-CB 4.26Å; T1206-R1208 HydrophobicContact CG2-CG 4.35Å; T1206-R1208 PolarHBondContact O-N 3.43Å; R1208-I1211 PolarHBondContact O-N 3.43Å; R1208-G1212 PolarHBondContact O-N 2.78Å |
| 1209 | T | 90.3 | Very high | 80.6 | Confident | 29 Ų | 29 | 89.3 Ų | 89.3 | 18% | 0.178 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -71.1 | -38.3 | 178.6 | 67.8 | 0 | 0 | 0 | 0 | 110.6 | T1206 G1212 W1213 | T1206-T1209 PolarHBondContact O-N 3.14Å; T1206-T1209 PolarHBondContact O-OG1 3.37Å; T1209-G1212 PolarHBondContact O-N 3.4Å; T1209-W1213 PolarHBondContact O-N 3.06Å; T1209-W1213 PolarHBondContact O-NE1 2.87Å |
| 1210 | F | 91.2 | Very high | 82.7 | Confident | 49 Ų | 49 | 85.4 Ų | 85.4 | 22% | 0.215 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 171.8 | 174.9 | -114.2 | 0 | 0 | 0 | 112.8 | Q1159 F1205 P1207 G1212 W1213 L1214 | Q1159-F1210 HydrophobicContact CG-CE2 4.05Å; Q1159-F1210 HydrophobicContact CG-CZ 3.82Å; F1205-F1210 HydrophobicContact CE2-CB 3.84Å; F1205-F1210 HydrophobicContact CZ-CB 3.71Å; F1205-F1210 HydrophobicContact CZ-CG 4.36Å; P1207-F1210 PolarHBondContact O-N 3.15Å; F1210-G1212 VanDerWaalsContact C-N 3.3Å; F1210-G1212 PolarHBondContact O-N 2.74Å; F1210-W1213 HydrophobicContact CD2-CE3 4.38Å; F1210-W1213 PolarHBondContact O-N 2.82Å; F1210-L1214 HydrophobicContact CD1-CD1 4.4Å; F1210-L1214 HydrophobicContact CE1-CD1 3.78Å; F1210-L1214 HydrophobicContact CE2-CD1 4.27Å; F1210-L1214 HydrophobicContact CE2-CD2 4.31Å; F1210-L1214 HydrophobicContact CE2-CG 4.23Å; F1210-L1214 HydrophobicContact CZ-CD1 3.69Å; F1210-L1214 HydrophobicContact CZ-CD2 4.34Å; F1210-L1214 HydrophobicContact CZ-CG 4.15Å; F1210-L1214 PolarHBondContact O-N 3.47Å |
| 1211 | I | 91.8 | Very high | 85.3 | Confident | 109 Ų | 109 | 82.2 Ų | 82.2 | 56% | 0.559 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.3 | -41.4 | 174.2 | -66.5 | 163.4 | 0 | 0 | 0 | 110.8 | P1207 R1208 W1213 L1214 Q1215 | P1207-I1211 WeakPolarHBondContact O-CG1 3.42Å; P1207-I1211 PolarHBondContact O-N 3.2Å; P1207-I1211 VanDerWaalsContact O-N 3.08Å; R1208-I1211 PolarHBondContact O-N 3.43Å; I1211-W1213 PolarHBondContact O-N 2.87Å; I1211-L1214 PolarHBondContact O-N 2.84Å; I1211-Q1215 PolarHBondContact O-N 2.83Å |
| 1212 | G | 93.1 | Very high | 87.7 | Confident | 14 Ų | 14 | 77.1 Ų | 77.1 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59 | -42.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1208 T1209 F1210 L1214 Q1215 D1216 | R1208-G1212 PolarHBondContact O-N 2.78Å; T1209-G1212 PolarHBondContact O-N 3.4Å; F1210-G1212 VanDerWaalsContact C-N 3.3Å; F1210-G1212 PolarHBondContact O-N 2.74Å; G1212-L1214 PolarHBondContact O-N 3.28Å; G1212-Q1215 PolarHBondContact O-N 3.04Å; G1212-D1216 PolarHBondContact O-N 3.28Å |
| 1213 | W | 93.7 | Very high | 89.9 | Confident | 28 Ų | 28 | 70.4 Ų | 70.4 | 11% | 0.106 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 175.8 | -58 | -15 | 0 | 0 | 0 | 112.3 | F542 R1161 F1205 T1209 F1210 I1211 I1217 | F542-W1213 AromaticContact CD1-CD1 3.83Å; F542-W1213 AromaticContact CD1-NE1 3.65Å; R1161-W1213 HydrophobicContact CB-CZ3 4.32Å; R1161-W1213 HydrophobicContact CG-CH2 4.18Å; R1161-W1213 HydrophobicContact CG-CZ3 3.87Å; F1205-W1213 AromaticContact CD2-CH2 3.89Å; F1205-W1213 HydrophobicContact CD2-CH2 3.89Å; F1205-W1213 HydrophobicContact CD2-CZ3 4.29Å; F1205-W1213 AromaticContact CE2-CH2 3.95Å; F1205-W1213 HydrophobicContact CE2-CH2 3.95Å; F1205-W1213 AromaticContact CE2-CZ3 3.88Å; F1205-W1213 HydrophobicContact CE2-CZ3 3.88Å; T1209-W1213 PolarHBondContact O-N 3.06Å; T1209-W1213 PolarHBondContact O-NE1 2.87Å; F1210-W1213 HydrophobicContact CD2-CE3 4.38Å; F1210-W1213 PolarHBondContact O-N 2.82Å; I1211-W1213 PolarHBondContact O-N 2.87Å; W1213-I1217 WeakPolarHBondContact O-CD1 3.23Å; W1213-I1217 VanDerWaalsContact O-CG1 3.26Å; W1213-I1217 WeakPolarHBondContact O-CG1 3.47Å; W1213-I1217 PolarHBondContact O-N 2.78Å; W1213-I1217 VanDerWaalsContact O-N 3.08Å |
| 1214 | L | 93.7 | Very high | 91.5 | Very high | 42 Ų | 42 | 66.7 Ų | 66.7 | 22% | 0.22 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 175.5 | -66.9 | 179 | 0 | 0 | 0 | 111.8 | V1155 A1158 F1210 I1211 G1212 I1217 I1218 | V1155-L1214 HydrophobicContact CG1-CD2 4.08Å; V1155-L1214 HydrophobicContact CG2-CD2 4.37Å; A1158-L1214 HydrophobicContact CB-CD2 4.21Å; F1210-L1214 HydrophobicContact CD1-CD1 4.4Å; F1210-L1214 HydrophobicContact CE1-CD1 3.78Å; F1210-L1214 HydrophobicContact CE2-CD1 4.27Å; F1210-L1214 HydrophobicContact CE2-CD2 4.31Å; F1210-L1214 HydrophobicContact CE2-CG 4.23Å; F1210-L1214 HydrophobicContact CZ-CD1 3.69Å; F1210-L1214 HydrophobicContact CZ-CD2 4.34Å; F1210-L1214 HydrophobicContact CZ-CG 4.15Å; F1210-L1214 PolarHBondContact O-N 3.47Å; I1211-L1214 PolarHBondContact O-N 2.84Å; G1212-L1214 PolarHBondContact O-N 3.28Å; L1214-I1217 WeakPolarHBondContact O-CB 3.25Å; L1214-I1217 PolarHBondContact O-N 2.76Å; L1214-I1218 WeakPolarHBondContact O-CG1 3.22Å; L1214-I1218 PolarHBondContact O-N 3.22Å |
| 1215 | Q | 93.6 | Very high | 92.9 | Very high | 97 Ų | 97 | 58.2 Ų | 58.2 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.4 | -44.7 | 176 | -168 | 65.4 | 51.1 | 0 | 0 | 112.3 | I1211 G1212 I1217 I1218 D1219 | I1211-Q1215 PolarHBondContact O-N 2.83Å; G1212-Q1215 PolarHBondContact O-N 3.04Å; Q1215-I1217 PolarHBondContact O-N 3.22Å; Q1215-I1218 PolarHBondContact O-N 3.25Å; Q1215-D1219 PolarHBondContact NE2-OD1 3.07Å; Q1215-D1219 WeakPolarHBondContact O-CB 3.38Å; Q1215-D1219 PolarHBondContact O-N 2.91Å |
| 1216 | D | 95.8 | Very high | 93.5 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.7 | -32.1 | 175.1 | -86.3 | -40.2 | 0 | 0 | 0 | 111.1 | K541 A543 G1212 T1220 | K541-D1216 IonicContact NZ-OD1 3.45Å; K541-D1216 PolarHBondContact NZ-OD1 2.92Å; A543-D1216 WeakPolarHBondContact CB-OD2 3.3Å; A543-D1216 PolarHBondContact N-OD2 3.01Å; G1212-D1216 PolarHBondContact O-N 3.28Å; D1216-T1220 WeakPolarHBondContact O-CB 3.47Å; D1216-T1220 PolarHBondContact O-N 3.32Å; D1216-T1220 PolarHBondContact O-OG1 3.49Å |
| 1217 | I | 94.2 | Very high | 93.9 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 14% | 0.138 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.2 | -54.2 | 172.5 | -72 | 163.6 | 0 | 0 | 0 | 111.4 | A1154 V1155 A1158 W1213 L1214 Q1215 D1219 T1220 F1221 | A1154-I1217 HydrophobicContact CB-CD1 4.22Å; A1154-I1217 HydrophobicContact CB-CG1 4.3Å; A1154-I1217 HydrophobicContact CB-CG2 3.79Å; V1155-I1217 HydrophobicContact CG2-CG2 4.18Å; A1158-I1217 HydrophobicContact CB-CD1 3.71Å; W1213-I1217 WeakPolarHBondContact O-CD1 3.23Å; W1213-I1217 VanDerWaalsContact O-CG1 3.26Å; W1213-I1217 WeakPolarHBondContact O-CG1 3.47Å; W1213-I1217 PolarHBondContact O-N 2.78Å; W1213-I1217 VanDerWaalsContact O-N 3.08Å; L1214-I1217 WeakPolarHBondContact O-CB 3.25Å; L1214-I1217 PolarHBondContact O-N 2.76Å; Q1215-I1217 PolarHBondContact O-N 3.22Å; I1217-D1219 VanDerWaalsContact C-N 3.33Å; I1217-D1219 PolarHBondContact O-N 3.41Å; I1217-T1220 WeakPolarHBondContact O-CB 3.3Å; I1217-T1220 PolarHBondContact O-N 3.07Å; I1217-F1221 HydrophobicContact CG2-CD2 3.91Å; I1217-F1221 HydrophobicContact CG2-CE2 4.13Å; I1217-F1221 WeakPolarHBondContact O-CD2 3.49Å; I1217-F1221 PolarHBondContact O-N 3.19Å |
| 1218 | I | 93.4 | Very high | 94.4 | Very high | 58 Ų | 58 | 59.3 Ų | 59.3 | 30% | 0.297 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.4 | -47.9 | -178.8 | -68.1 | 162.6 | 0 | 0 | 0 | 110.6 | L1214 Q1215 T1220 F1221 Q1222 F1288 | L1214-I1218 WeakPolarHBondContact O-CG1 3.22Å; L1214-I1218 PolarHBondContact O-N 3.22Å; Q1215-I1218 PolarHBondContact O-N 3.25Å; I1218-T1220 VanDerWaalsContact C-N 3.27Å; I1218-T1220 PolarHBondContact O-N 2.9Å; I1218-F1221 PolarHBondContact O-N 3.37Å; I1218-Q1222 HydrophobicContact CG2-CG 4.19Å; I1218-Q1222 WeakPolarHBondContact O-CB 3.24Å; I1218-Q1222 VanDerWaalsContact O-CG 3.26Å; I1218-Q1222 WeakPolarHBondContact O-CG 3.41Å; I1218-Q1222 PolarHBondContact O-N 3.44Å; I1218-F1288 HydrophobicContact CG1-CE2 4.16Å |
| 1219 | D | 95.5 | Very high | 94.6 | Very high | 71 Ų | 71 | 50 Ų | 50 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.9 | -37.4 | 177.3 | -73.2 | 2.5 | 0 | 0 | 0 | 111.8 | Q1215 I1217 N1223 | Q1215-D1219 PolarHBondContact NE2-OD1 3.07Å; Q1215-D1219 WeakPolarHBondContact O-CB 3.38Å; Q1215-D1219 PolarHBondContact O-N 2.91Å; I1217-D1219 VanDerWaalsContact C-N 3.33Å; I1217-D1219 PolarHBondContact O-N 3.41Å; D1219-N1223 WeakPolarHBondContact O-CB 3.24Å; D1219-N1223 PolarHBondContact O-N 3.24Å; D1219-N1223 PolarHBondContact O-ND2 2.94Å |
| 1220 | T | 96.7 | Very high | 94.9 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.5 | -50.6 | 178.1 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | D1216 I1217 I1218 N1223 E1224 | D1216-T1220 WeakPolarHBondContact O-CB 3.47Å; D1216-T1220 PolarHBondContact O-N 3.32Å; D1216-T1220 PolarHBondContact O-OG1 3.49Å; I1217-T1220 WeakPolarHBondContact O-CB 3.3Å; I1217-T1220 PolarHBondContact O-N 3.07Å; I1218-T1220 VanDerWaalsContact C-N 3.27Å; I1218-T1220 PolarHBondContact O-N 2.9Å; T1220-N1223 CarbonylContact O-C 3.37Å; T1220-N1223 PolarHBondContact O-N 3.33Å; T1220-E1224 PolarHBondContact O-N 2.86Å |
| 1221 | F | 96.9 | Very high | 95.2 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.6 | -34.5 | -176.8 | -77.5 | -84.8 | 0 | 0 | 0 | 113 | L1147 G1150 A1151 A1154 I1217 I1218 N1223 E1224 K1225 L1287 | L1147-F1221 HydrophobicContact CD1-CD1 3.75Å; L1147-F1221 HydrophobicContact CD1-CE1 4.11Å; L1147-F1221 HydrophobicContact CG-CD1 4.13Å; G1150-F1221 VanDerWaalsContact C-CE1 3.43Å; G1150-F1221 VanDerWaalsContact O-CZ 3.24Å; G1150-F1221 WeakPolarHBondContact O-CZ 3.23Å; A1151-F1221 HydrophobicContact CB-CB 4.01Å; A1151-F1221 HydrophobicContact CB-CD1 3.69Å; A1151-F1221 HydrophobicContact CB-CD2 4Å; A1151-F1221 HydrophobicContact CB-CE1 4.15Å; A1151-F1221 HydrophobicContact CB-CE2 4.44Å; A1151-F1221 HydrophobicContact CB-CG 3.61Å; A1151-F1221 VanDerWaalsContact N-CE1 3.35Å; A1154-F1221 HydrophobicContact CB-CE2 3.65Å; A1154-F1221 HydrophobicContact CB-CZ 4.15Å; I1217-F1221 HydrophobicContact CG2-CD2 3.91Å; I1217-F1221 HydrophobicContact CG2-CE2 4.13Å; I1217-F1221 WeakPolarHBondContact O-CD2 3.49Å; I1217-F1221 PolarHBondContact O-N 3.19Å; I1218-F1221 PolarHBondContact O-N 3.37Å; F1221-N1223 PolarHBondContact O-N 3.34Å; F1221-E1224 PolarHBondContact O-N 2.68Å; F1221-K1225 VanDerWaalsContact O-CB 3.26Å; F1221-K1225 WeakPolarHBondContact O-CB 3.24Å; F1221-K1225 PolarHBondContact O-N 2.71Å; F1221-L1287 HydrophobicContact CB-CD1 3.93Å |
| 1222 | Q | 94.8 | Very high | 95.5 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 24% | 0.238 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -33.1 | 169.8 | -68.2 | -73.1 | 2.7 | 0 | 0 | 111.9 | I1218 K1226 L1287 | I1218-Q1222 HydrophobicContact CG2-CG 4.19Å; I1218-Q1222 WeakPolarHBondContact O-CB 3.24Å; I1218-Q1222 VanDerWaalsContact O-CG 3.26Å; I1218-Q1222 WeakPolarHBondContact O-CG 3.41Å; I1218-Q1222 PolarHBondContact O-N 3.44Å; Q1222-K1226 WeakPolarHBondContact O-CB 3.19Å; Q1222-K1226 VanDerWaalsContact O-CG 3.31Å; Q1222-K1226 WeakPolarHBondContact O-CG 3.29Å; Q1222-K1226 PolarHBondContact O-N 3.35Å; Q1222-K1226 VanDerWaalsContact O-N 3.14Å; Q1222-L1287 HydrophobicContact CG-CD1 3.86Å |
| 1223 | N | 95.5 | Very high | 95.6 | Very high | 84 Ų | 84 | 47.8 Ų | 47.8 | 45% | 0.449 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -79 | -26.4 | 174.3 | -81.1 | -57.8 | 0 | 0 | 0 | 114.1 | D1219 T1220 F1221 K1227 | D1219-N1223 WeakPolarHBondContact O-CB 3.24Å; D1219-N1223 PolarHBondContact O-N 3.24Å; D1219-N1223 PolarHBondContact O-ND2 2.94Å; T1220-N1223 CarbonylContact O-C 3.37Å; T1220-N1223 PolarHBondContact O-N 3.33Å; F1221-N1223 PolarHBondContact O-N 3.34Å; N1223-K1227 VanDerWaalsContact O-CD 3.31Å; N1223-K1227 WeakPolarHBondContact O-CD 3.4Å; N1223-K1227 WeakPolarHBondContact O-CE 3.32Å; N1223-K1227 VanDerWaalsContact O-CG 3.3Å; N1223-K1227 WeakPolarHBondContact O-CG 3.36Å |
| 1224 | E | 96 | Very high | 95.7 | Very high | 43 Ų | 43 | 51.2 Ų | 51.2 | 20% | 0.201 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72 | -44.3 | 167.9 | -71.7 | -168.7 | 163 | 0 | 0 | 110.7 | K237 L1147 T1220 F1221 K1226 K1227 L1228 | K237-E1224 IonicContact NZ-OE1 3.9Å; K237-E1224 PolarHBondContact NZ-OE1 3.26Å; K237-E1224 IonicContact NZ-OE2 3.72Å; K237-E1224 PolarHBondContact NZ-OE2 3.03Å; L1147-E1224 HydrophobicContact CD1-CB 3.71Å; L1147-E1224 WeakPolarHBondContact CD1-OE2 3.5Å; L1147-E1224 HydrophobicContact CD2-CB 4.29Å; T1220-E1224 PolarHBondContact O-N 2.86Å; F1221-E1224 PolarHBondContact O-N 2.68Å; E1224-K1226 PolarHBondContact O-N 3.49Å; E1224-K1227 WeakPolarHBondContact O-CB 3.34Å; E1224-K1227 PolarHBondContact O-N 2.88Å; E1224-L1228 PolarHBondContact O-N 3.41Å |
| 1225 | K | 96.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.6 | -47.8 | 176.1 | 169.7 | 171.9 | 163.7 | -166.2 | 0 | 112.9 | L1147 F1221 K1227 L1228 L1229 D1284 F1285 L1287 | L1147-K1225 VanDerWaalsContact CD2-CA 3.46Å; L1147-K1225 HydrophobicContact CD2-CB 3.7Å; F1221-K1225 VanDerWaalsContact O-CB 3.26Å; F1221-K1225 WeakPolarHBondContact O-CB 3.24Å; F1221-K1225 PolarHBondContact O-N 2.71Å; K1225-K1227 VanDerWaalsContact C-N 3.26Å; K1225-K1227 PolarHBondContact O-N 2.84Å; K1225-L1228 PolarHBondContact O-N 2.68Å; K1225-L1229 HydrophobicContact CG-CD1 4.4Å; K1225-L1229 PolarHBondContact O-N 2.93Å; K1225-D1284 VanDerWaalsContact CE-CG 3.43Å; K1225-D1284 WeakPolarHBondContact CE-OD1 3.42Å; K1225-D1284 WeakPolarHBondContact CE-OD2 3.32Å; K1225-D1284 IonicContact NZ-OD1 2.78Å; K1225-D1284 PolarHBondContact NZ-OD1 2.95Å; K1225-D1284 IonicContact NZ-OD2 2.68Å; K1225-D1284 PolarHBondContact NZ-OD2 3.5Å; K1225-F1285 HydrophobicContact CB-CZ 4.45Å; K1225-F1285 HydrophobicContact CD-CD1 4.38Å; K1225-F1285 HydrophobicContact CD-CE1 4.13Å; K1225-F1285 HydrophobicContact CD-CZ 4.28Å; K1225-F1285 WeakPolarHBondContact CE-O 3.24Å; K1225-F1285 HydrophobicContact CG-CD1 4.3Å; K1225-F1285 HydrophobicContact CG-CE1 3.69Å; K1225-F1285 HydrophobicContact CG-CZ 4.01Å; K1225-F1285 PolarHBondContact NZ-O 2.81Å; K1225-L1287 HydrophobicContact CB-CD2 4.37Å; K1225-L1287 HydrophobicContact CD-CD1 3.99Å; K1225-L1287 HydrophobicContact CD-CD2 3.97Å; K1225-L1287 HydrophobicContact CD-CG 3.82Å |
| 1226 | K | 95.7 | Very high | 95.9 | Very high | 112 Ų | 112 | 45.9 Ų | 45.9 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.1 | -27.8 | 176 | -77.2 | 172.7 | -176.9 | 176.7 | 0 | 114 | T300 Q1222 E1224 | T300-K1226 WeakPolarHBondContact CA-O 3.48Å; T300-K1226 HydrophobicContact CG2-CB 3.92Å; T300-K1226 PolarHBondContact N-O 3.04Å; Q1222-K1226 WeakPolarHBondContact O-CB 3.19Å; Q1222-K1226 VanDerWaalsContact O-CG 3.31Å; Q1222-K1226 WeakPolarHBondContact O-CG 3.29Å; Q1222-K1226 PolarHBondContact O-N 3.35Å; Q1222-K1226 VanDerWaalsContact O-N 3.14Å; E1224-K1226 PolarHBondContact O-N 3.49Å |
| 1227 | K | 96.2 | Very high | 95.8 | Very high | 95 Ų | 95 | 49.2 Ų | 49.2 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -79.7 | -42 | 173.5 | -62.8 | 161.7 | -164.8 | 161.3 | 0 | 110.8 | K298 N1223 E1224 K1225 R1231 | K298-K1227 HydrophobicContact CG-CG 4.38Å; N1223-K1227 VanDerWaalsContact O-CD 3.31Å; N1223-K1227 WeakPolarHBondContact O-CD 3.4Å; N1223-K1227 WeakPolarHBondContact O-CE 3.32Å; N1223-K1227 VanDerWaalsContact O-CG 3.3Å; N1223-K1227 WeakPolarHBondContact O-CG 3.36Å; E1224-K1227 WeakPolarHBondContact O-CB 3.34Å; E1224-K1227 PolarHBondContact O-N 2.88Å; K1225-K1227 VanDerWaalsContact C-N 3.26Å; K1225-K1227 PolarHBondContact O-N 2.84Å; K1227-R1231 PolarHBondContact O-N 3.5Å; K1227-R1231 VanDerWaalsContact O-N 3.13Å |
| 1228 | L | 96.5 | Very high | 95.8 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.3 | -52.8 | -179.6 | -178.8 | 62.1 | 0 | 0 | 0 | 111.6 | E1143 R1144 L1147 E1224 K1225 C1230 R1231 Q1232 F1285 | E1143-L1228 HydrophobicContact CB-CD1 4.07Å; E1143-L1228 HydrophobicContact CB-CD2 4.46Å; R1144-L1228 HydrophobicContact CG-CD2 3.93Å; L1147-L1228 HydrophobicContact CB-CD2 4.41Å; L1147-L1228 HydrophobicContact CD2-CD2 4.19Å; E1224-L1228 PolarHBondContact O-N 3.41Å; K1225-L1228 PolarHBondContact O-N 2.68Å; L1228-C1230 VanDerWaalsContact C-N 3.34Å; L1228-C1230 PolarHBondContact O-N 2.96Å; L1228-R1231 WeakPolarHBondContact O-CB 3.34Å; L1228-R1231 PolarHBondContact O-N 2.78Å; L1228-Q1232 HydrophobicContact CD1-CG 4.19Å; L1228-Q1232 HydrophobicContact CG-CG 4.41Å; L1228-Q1232 WeakPolarHBondContact O-CG 3.42Å; L1228-Q1232 PolarHBondContact O-N 3.1Å; L1228-F1285 HydrophobicContact CD2-CE1 4.5Å; L1228-F1285 HydrophobicContact CD2-CZ 4.17Å |
| 1229 | L | 96.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.089 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -35 | -174.7 | -67.8 | -180 | 0 | 0 | 0 | 113.8 | K1225 L1233 V1281 P1282 F1285 | K1225-L1229 HydrophobicContact CG-CD1 4.4Å; K1225-L1229 PolarHBondContact O-N 2.93Å; L1229-L1233 WeakPolarHBondContact O-CB 3.35Å; L1229-L1233 PolarHBondContact O-N 3.23Å; L1229-V1281 HydrophobicContact CD2-CG1 4.39Å; L1229-P1282 HydrophobicContact CD2-CG 4.44Å; L1229-P1282 WeakPolarHBondContact CD2-O 3.47Å; L1229-F1285 HydrophobicContact CD1-CD1 4.03Å; L1229-F1285 HydrophobicContact CD1-CE1 4.13Å; L1229-F1285 HydrophobicContact CD2-CD1 3.84Å; L1229-F1285 HydrophobicContact CD2-CE1 3.73Å; L1229-F1285 HydrophobicContact CG-CD1 4.22Å; L1229-F1285 HydrophobicContact CG-CE1 3.94Å |
| 1230 | C | 95.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.4 | -41.7 | 170.5 | 151.8 | 0 | 0 | 0 | 0 | 112.1 | S299 L1228 Q1232 L1233 H1234 | S299-C1230 VanDerWaalsContact CA-SG 3.59Å; S299-C1230 PolarHBondContact N-SG 3.01Å; S299-C1230 PolarHBondContact O-SG 2.88Å; L1228-C1230 VanDerWaalsContact C-N 3.34Å; L1228-C1230 PolarHBondContact O-N 2.96Å; C1230-Q1232 VanDerWaalsContact C-N 3.26Å; C1230-Q1232 PolarHBondContact O-N 3.46Å; C1230-L1233 PolarHBondContact O-N 2.81Å; C1230-L1233 VanDerWaalsContact O-N 3.14Å; C1230-H1234 PolarHBondContact O-N 2.71Å; C1230-H1234 PolarHBondContact SG-CE1 3.21Å |
| 1231 | R | 97.1 | Very high | 95.6 | Very high | 89 Ų | 89 | 45 Ų | 45 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 177.7 | -161.8 | -169.8 | 66.2 | -134.3 | -4.9 | 109.9 | E1143 K1227 L1228 L1233 H1234 E1235 | E1143-R1231 IonicContact OE1-CZ 3.75Å; E1143-R1231 IonicContact OE1-NH2 3.93Å; E1143-R1231 PolarHBondContact OE1-NH2 3.18Å; E1143-R1231 IonicContact OE2-NH2 2.77Å; E1143-R1231 PolarHBondContact OE2-NH2 2.92Å; K1227-R1231 PolarHBondContact O-N 3.5Å; K1227-R1231 VanDerWaalsContact O-N 3.13Å; L1228-R1231 WeakPolarHBondContact O-CB 3.34Å; L1228-R1231 PolarHBondContact O-N 2.78Å; R1231-L1233 PolarHBondContact O-N 3.31Å; R1231-H1234 PolarHBondContact O-N 3.48Å; R1231-E1235 VanDerWaalsContact CD-OE1 3.28Å; R1231-E1235 WeakPolarHBondContact CD-OE1 3.47Å; R1231-E1235 HydrophobicContact CG-CG 4.41Å; R1231-E1235 VanDerWaalsContact CG-OE1 3.3Å; R1231-E1235 WeakPolarHBondContact CG-OE1 3.37Å; R1231-E1235 IonicContact CZ-OE1 3.18Å; R1231-E1235 IonicContact NE-OE1 3.71Å; R1231-E1235 PolarHBondContact NE-OE1 2.77Å; R1231-E1235 VanDerWaalsContact O-CB 3.25Å; R1231-E1235 WeakPolarHBondContact O-CB 3.42Å; R1231-E1235 WeakPolarHBondContact O-CG 3.41Å; R1231-E1235 PolarHBondContact O-N 3.33Å |
| 1232 | Q | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 174.4 | -66.6 | -173.9 | -9.7 | 0 | 0 | 112.2 | H1140 E1143 L1228 C1230 E1235 A1236 V1281 | H1140-Q1232 VanDerWaalsContact CA-NE2 3.35Å; H1140-Q1232 HydrophobicContact CB-CG 4.17Å; H1140-Q1232 PolarHBondContact CE1-O 3.16Å; H1140-Q1232 PolarHBondContact O-NE2 3.1Å; E1143-Q1232 PolarHBondContact OE2-NE2 3.12Å; L1228-Q1232 HydrophobicContact CD1-CG 4.19Å; L1228-Q1232 HydrophobicContact CG-CG 4.41Å; L1228-Q1232 WeakPolarHBondContact O-CG 3.42Å; L1228-Q1232 PolarHBondContact O-N 3.1Å; C1230-Q1232 VanDerWaalsContact C-N 3.26Å; C1230-Q1232 PolarHBondContact O-N 3.46Å; Q1232-E1235 PolarHBondContact O-N 3.46Å; Q1232-A1236 VanDerWaalsContact O-CB 3.32Å; Q1232-A1236 WeakPolarHBondContact O-CB 3.23Å; Q1232-A1236 PolarHBondContact O-N 2.85Å; Q1232-V1281 HydrophobicContact CB-CG1 3.91Å; Q1232-V1281 HydrophobicContact CB-CG2 4.19Å |
| 1233 | L | 95.7 | Very high | 95.4 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 32% | 0.319 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.4 | -51.6 | 173.4 | -178.6 | 61.6 | 0 | 0 | 0 | 112 | L1229 C1230 R1231 E1235 A1236 E1237 | L1229-L1233 WeakPolarHBondContact O-CB 3.35Å; L1229-L1233 PolarHBondContact O-N 3.23Å; C1230-L1233 PolarHBondContact O-N 2.81Å; C1230-L1233 VanDerWaalsContact O-N 3.14Å; R1231-L1233 PolarHBondContact O-N 3.31Å; L1233-E1235 VanDerWaalsContact C-N 3.3Å; L1233-E1235 PolarHBondContact O-N 2.96Å; L1233-A1236 PolarHBondContact O-N 3.41Å; L1233-A1236 VanDerWaalsContact O-N 3.16Å; L1233-E1237 HydrophobicContact CD1-CG 4.14Å; L1233-E1237 HydrophobicContact CG-CG 4.46Å; L1233-E1237 WeakPolarHBondContact O-CB 2.93Å; L1233-E1237 WeakPolarHBondContact O-CG 3.42Å; L1233-E1237 PolarHBondContact O-N 3.13Å |
| 1234 | H | 95.4 | Very high | 95.2 | Very high | 101 Ų | 101 | 42 Ų | 42 | 47% | 0.468 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.4 | -35.8 | 178 | -66.4 | 178.4 | 0 | 0 | 0 | 112.4 | C1230 R1231 S1238 | C1230-H1234 PolarHBondContact O-N 2.71Å; C1230-H1234 PolarHBondContact SG-CE1 3.21Å; R1231-H1234 PolarHBondContact O-N 3.48Å; H1234-S1238 WeakPolarHBondContact O-CB 3.29Å; H1234-S1238 PolarHBondContact O-N 3.07Å; H1234-S1238 PolarHBondContact O-OG 2.72Å |
| 1235 | E | 96.1 | Very high | 94.9 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 12% | 0.121 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.2 | -32.9 | 174.9 | -77.9 | 176.6 | -149.5 | 0 | 0 | 113.1 | Q1136 K1139 H1140 R1231 Q1232 L1233 S1238 L1239 | Q1136-E1235 PolarHBondContact NE2-O 2.87Å; Q1136-E1235 VanDerWaalsContact NE2-O 3.15Å; K1139-E1235 VanDerWaalsContact NZ-CD 3.31Å; K1139-E1235 IonicContact NZ-OE1 2.92Å; K1139-E1235 IonicContact NZ-OE2 3.12Å; K1139-E1235 PolarHBondContact NZ-OE2 3.37Å; H1140-E1235 IonicContact CD2-OE2 3.77Å; H1140-E1235 PolarHBondContact CD2-OE2 2.91Å; H1140-E1235 IonicContact CE1-OE2 2.94Å; H1140-E1235 IonicContact NE2-OE2 3.54Å; H1140-E1235 PolarHBondContact NE2-OE2 3.1Å; R1231-E1235 VanDerWaalsContact CD-OE1 3.28Å; R1231-E1235 WeakPolarHBondContact CD-OE1 3.47Å; R1231-E1235 HydrophobicContact CG-CG 4.41Å; R1231-E1235 VanDerWaalsContact CG-OE1 3.3Å; R1231-E1235 WeakPolarHBondContact CG-OE1 3.37Å; R1231-E1235 IonicContact CZ-OE1 3.18Å; R1231-E1235 IonicContact NE-OE1 3.71Å; R1231-E1235 PolarHBondContact NE-OE1 2.77Å; R1231-E1235 VanDerWaalsContact O-CB 3.25Å; R1231-E1235 WeakPolarHBondContact O-CB 3.42Å; R1231-E1235 WeakPolarHBondContact O-CG 3.41Å; R1231-E1235 PolarHBondContact O-N 3.33Å; Q1232-E1235 PolarHBondContact O-N 3.46Å; L1233-E1235 VanDerWaalsContact C-N 3.3Å; L1233-E1235 PolarHBondContact O-N 2.96Å; E1235-S1238 PolarHBondContact O-OG 3.15Å; E1235-L1239 WeakPolarHBondContact O-CB 3.5Å; E1235-L1239 PolarHBondContact O-N 3.31Å |
| 1236 | A | 95.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.5 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1232 L1233 M1240 L1278 I1279 V1281 | Q1232-A1236 VanDerWaalsContact O-CB 3.32Å; Q1232-A1236 WeakPolarHBondContact O-CB 3.23Å; Q1232-A1236 PolarHBondContact O-N 2.85Å; L1233-A1236 PolarHBondContact O-N 3.41Å; L1233-A1236 VanDerWaalsContact O-N 3.16Å; A1236-M1240 WeakPolarHBondContact O-CB 3.27Å; A1236-M1240 PolarHBondContact O-N 3.3Å; A1236-L1278 VanDerWaalsContact C-CD1 3.49Å; A1236-L1278 HydrophobicContact CB-CD1 3.86Å; A1236-L1278 WeakPolarHBondContact O-CD1 3.47Å; A1236-I1279 HydrophobicContact CB-CB 3.92Å; A1236-V1281 HydrophobicContact CB-CG2 3.93Å |
| 1237 | E | 94.2 | Very high | 94.3 | Very high | 82 Ų | 82 | 41.1 Ų | 41.1 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 176.6 | -72.3 | 179.8 | 153 | 0 | 0 | 111.5 | L1233 M1240 M1241 L1278 | L1233-E1237 HydrophobicContact CD1-CG 4.14Å; L1233-E1237 HydrophobicContact CG-CG 4.46Å; L1233-E1237 WeakPolarHBondContact O-CB 2.93Å; L1233-E1237 WeakPolarHBondContact O-CG 3.42Å; L1233-E1237 PolarHBondContact O-N 3.13Å; E1237-M1240 PolarHBondContact O-N 3.03Å; E1237-M1241 WeakPolarHBondContact O-CB 3.46Å; E1237-M1241 WeakPolarHBondContact O-CG 3.42Å; E1237-M1241 PolarHBondContact O-N 2.82Å; E1237-L1278 HydrophobicContact CG-CD1 3.99Å |
| 1238 | S | 95 | Very high | 93.8 | Very high | 46 Ų | 46 | 37.3 Ų | 37.3 | 32% | 0.322 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 177.8 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | H1234 E1235 M1241 V1242 | H1234-S1238 WeakPolarHBondContact O-CB 3.29Å; H1234-S1238 PolarHBondContact O-N 3.07Å; H1234-S1238 PolarHBondContact O-OG 2.72Å; E1235-S1238 PolarHBondContact O-OG 3.15Å; S1238-M1241 PolarHBondContact O-N 2.82Å; S1238-V1242 WeakPolarHBondContact O-CG2 3.18Å; S1238-V1242 PolarHBondContact O-N 3.26Å |
| 1239 | L | 95.2 | Very high | 93.3 | Very high | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.1 | -48 | 175.5 | -175.7 | 63.6 | 0 | 0 | 0 | 111.4 | E1132 R1133 Q1136 E1235 M1241 V1242 Q1243 I1279 | E1132-L1239 HydrophobicContact CB-CD1 4.45Å; E1132-L1239 HydrophobicContact CB-CD2 4.37Å; R1133-L1239 HydrophobicContact CG-CD2 4.17Å; Q1136-L1239 HydrophobicContact CB-CD2 3.96Å; Q1136-L1239 HydrophobicContact CG-CD2 4.1Å; E1235-L1239 WeakPolarHBondContact O-CB 3.5Å; E1235-L1239 PolarHBondContact O-N 3.31Å; L1239-M1241 PolarHBondContact O-N 2.95Å; L1239-V1242 PolarHBondContact O-N 3.02Å; L1239-Q1243 HydrophobicContact CD1-CG 4.08Å; L1239-Q1243 HydrophobicContact CG-CG 4.23Å; L1239-Q1243 WeakPolarHBondContact O-CB 3.5Å; L1239-Q1243 VanDerWaalsContact O-CG 3.28Å; L1239-Q1243 WeakPolarHBondContact O-CG 3.31Å; L1239-Q1243 PolarHBondContact O-N 3.15Å; L1239-I1279 HydrophobicContact CD2-CD1 3.99Å |
| 1240 | M | 93.8 | Very high | 92.8 | Very high | 32 Ų | 32 | 44 Ų | 44 | 16% | 0.158 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.1 | -37.2 | 174.6 | -179.2 | -155.8 | 54.1 | 0 | 0 | 111.8 | A1236 E1237 K1244 V1276 L1278 | A1236-M1240 WeakPolarHBondContact O-CB 3.27Å; A1236-M1240 PolarHBondContact O-N 3.3Å; E1237-M1240 PolarHBondContact O-N 3.03Å; M1240-K1244 HydrophobicContact CG-CD 4.27Å; M1240-K1244 WeakPolarHBondContact O-CB 3.22Å; M1240-K1244 WeakPolarHBondContact O-CD 2.98Å; M1240-K1244 VanDerWaalsContact O-CG 3.27Å; M1240-K1244 WeakPolarHBondContact O-CG 3.14Å; M1240-K1244 PolarHBondContact O-N 2.99Å; M1240-V1276 HydrophobicContact CG-CG1 4.02Å; M1240-L1278 HydrophobicContact CB-CD1 4.15Å; M1240-L1278 HydrophobicContact CE-CD1 4.49Å; M1240-L1278 HydrophobicContact SD-CB 4.09Å; M1240-L1278 HydrophobicContact SD-CD1 4.23Å |
| 1241 | M | 92 | Very high | 92.2 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 21% | 0.207 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -76.9 | -32.6 | -179.9 | -69.9 | -58.5 | -66.8 | 0 | 0 | 113.7 | Y393 E1237 S1238 L1239 K1244 L1245 F1268 | Y393-M1241 HydrophobicContact CD2-CE 4.47Å; Y393-M1241 HydrophobicContact CE2-CE 3.47Å; Y393-M1241 VanDerWaalsContact CE2-CE 3.47Å; Y393-M1241 VanDerWaalsContact OH-CE 3.29Å; Y393-M1241 WeakPolarHBondContact OH-CE 3.07Å; E1237-M1241 WeakPolarHBondContact O-CB 3.46Å; E1237-M1241 WeakPolarHBondContact O-CG 3.42Å; E1237-M1241 PolarHBondContact O-N 2.82Å; S1238-M1241 PolarHBondContact O-N 2.82Å; L1239-M1241 PolarHBondContact O-N 2.95Å; M1241-K1244 HydrophobicContact SD-CD 4.15Å; M1241-L1245 WeakPolarHBondContact O-CG 3.4Å; M1241-L1245 PolarHBondContact O-N 2.79Å; M1241-F1268 HydrophobicContact CE-CE1 3.92Å; M1241-F1268 HydrophobicContact CE-CZ 3.71Å |
| 1242 | V | 93.5 | Very high | 91.4 | Very high | 75 Ų | 75 | 47.9 Ų | 47.9 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.2 | -54.1 | 167.9 | 170.9 | 0 | 0 | 0 | 0 | 109.4 | S1238 L1239 K1244 L1245 D1246 | S1238-V1242 WeakPolarHBondContact O-CG2 3.18Å; S1238-V1242 PolarHBondContact O-N 3.26Å; L1239-V1242 PolarHBondContact O-N 3.02Å; V1242-K1244 VanDerWaalsContact C-N 3.25Å; V1242-K1244 PolarHBondContact O-N 2.86Å; V1242-K1244 VanDerWaalsContact O-N 3.13Å; V1242-L1245 WeakPolarHBondContact O-CA 3.25Å; V1242-L1245 VanDerWaalsContact O-CB 3.3Å; V1242-L1245 WeakPolarHBondContact O-CB 3.39Å; V1242-L1245 PolarHBondContact O-N 3.18Å; V1242-D1246 PolarHBondContact O-N 3.12Å; V1242-D1246 VanDerWaalsContact O-N 3.09Å |
| 1243 | Q | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.9 | -36.4 | -177.5 | -72.3 | -174.2 | -13.1 | 0 | 0 | 112.9 | Q1129 E1132 L1239 D1246 W1247 V1276 | Q1129-Q1243 HydrophobicContact CB-CG 4.21Å; Q1129-Q1243 HydrophobicContact CG-CB 4.32Å; Q1129-Q1243 HydrophobicContact CG-CG 3.8Å; Q1129-Q1243 VanDerWaalsContact NE2-CA 3.29Å; Q1129-Q1243 PolarHBondContact NE2-O 3.15Å; Q1129-Q1243 PolarHBondContact O-NE2 3.45Å; E1132-Q1243 PolarHBondContact OE2-NE2 2.74Å; L1239-Q1243 HydrophobicContact CD1-CG 4.08Å; L1239-Q1243 HydrophobicContact CG-CG 4.23Å; L1239-Q1243 WeakPolarHBondContact O-CB 3.5Å; L1239-Q1243 VanDerWaalsContact O-CG 3.28Å; L1239-Q1243 WeakPolarHBondContact O-CG 3.31Å; L1239-Q1243 PolarHBondContact O-N 3.15Å; Q1243-D1246 WeakPolarHBondContact CA-OD2 3.28Å; Q1243-D1246 PolarHBondContact O-N 2.86Å; Q1243-W1247 VanDerWaalsContact O-CD1 3.22Å; Q1243-W1247 PolarHBondContact O-N 2.93Å; Q1243-V1276 HydrophobicContact CB-CG1 3.48Å; Q1243-V1276 VanDerWaalsContact CB-CG1 3.48Å |
| 1244 | K | 91.2 | Very high | 89.8 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.7 | -31.5 | 171.8 | -78.4 | 167.5 | 169.3 | 178.3 | 0 | 114.1 | N392 M1240 M1241 V1242 E1248 F1268 I1271 V1276 | N392-K1244 WeakPolarHBondContact OD1-CD 3.26Å; N392-K1244 PolarHBondContact OD1-NZ 3.14Å; M1240-K1244 HydrophobicContact CG-CD 4.27Å; M1240-K1244 WeakPolarHBondContact O-CB 3.22Å; M1240-K1244 WeakPolarHBondContact O-CD 2.98Å; M1240-K1244 VanDerWaalsContact O-CG 3.27Å; M1240-K1244 WeakPolarHBondContact O-CG 3.14Å; M1240-K1244 PolarHBondContact O-N 2.99Å; M1241-K1244 HydrophobicContact SD-CD 4.15Å; V1242-K1244 VanDerWaalsContact C-N 3.25Å; V1242-K1244 PolarHBondContact O-N 2.86Å; V1242-K1244 VanDerWaalsContact O-N 3.13Å; K1244-E1248 PolarHBondContact O-N 2.88Å; K1244-F1268 HydrophobicContact CB-CD2 4.19Å; K1244-F1268 HydrophobicContact CB-CE2 3.44Å; K1244-F1268 VanDerWaalsContact CB-CE2 3.44Å; K1244-F1268 HydrophobicContact CB-CZ 3.82Å; K1244-F1268 HydrophobicContact CD-CZ 4.42Å; K1244-I1271 HydrophobicContact CB-CD1 4.19Å; K1244-I1271 HydrophobicContact CG-CD1 4.38Å; K1244-I1271 VanDerWaalsContact O-CD1 3.29Å; K1244-I1271 WeakPolarHBondContact O-CD1 3.47Å; K1244-V1276 HydrophobicContact CG-CB 3.9Å; K1244-V1276 HydrophobicContact CG-CG1 3.94Å; K1244-V1276 HydrophobicContact CG-CG2 4.16Å |
| 1245 | L | 89.3 | Confident | 88.7 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 36% | 0.361 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.1 | -37 | 175.2 | -69.2 | 166.7 | 0 | 0 | 0 | 110.4 | M1241 V1242 E1248 M1249 F1268 | M1241-L1245 WeakPolarHBondContact O-CG 3.4Å; M1241-L1245 PolarHBondContact O-N 2.79Å; V1242-L1245 WeakPolarHBondContact O-CA 3.25Å; V1242-L1245 VanDerWaalsContact O-CB 3.3Å; V1242-L1245 WeakPolarHBondContact O-CB 3.39Å; V1242-L1245 PolarHBondContact O-N 3.18Å; L1245-E1248 PolarHBondContact O-N 3.12Å; L1245-M1249 WeakPolarHBondContact O-CB 3.25Å; L1245-M1249 PolarHBondContact O-N 2.94Å; L1245-F1268 HydrophobicContact CD2-CD2 4.27Å; L1245-F1268 HydrophobicContact CD2-CE2 3.67Å; L1245-F1268 HydrophobicContact CD2-CZ 4.26Å; L1245-F1268 HydrophobicContact CG-CE2 3.89Å; L1245-F1268 HydrophobicContact CG-CZ 4.44Å |
| 1246 | D | 91.1 | Very high | 87.1 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 34% | 0.342 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 175.1 | -48.2 | -43.8 | 0 | 0 | 0 | 110.9 | L1125 V1242 Q1243 M1249 K1250 | L1125-D1246 HydrophobicContact CD1-CB 4.34Å; V1242-D1246 PolarHBondContact O-N 3.12Å; V1242-D1246 VanDerWaalsContact O-N 3.09Å; Q1243-D1246 WeakPolarHBondContact CA-OD2 3.28Å; Q1243-D1246 PolarHBondContact O-N 2.86Å; D1246-M1249 PolarHBondContact O-N 2.73Å; D1246-K1250 WeakPolarHBondContact O-CB 3.29Å; D1246-K1250 PolarHBondContact O-N 2.83Å |
| 1247 | W | 89.7 | Confident | 85.3 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 2% | 0.023 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 171 | -86.5 | 68.8 | 0 | 0 | 0 | 112.2 | L1118 F1122 L1125 F1126 Q1243 M1249 K1250 T1251 I1271 Y1275 V1276 | L1118-W1247 HydrophobicContact CD1-CH2 3.55Å; L1118-W1247 HydrophobicContact CD1-CZ3 3.82Å; L1118-W1247 HydrophobicContact CD2-CH2 3.7Å; L1118-W1247 HydrophobicContact CD2-CZ2 4.26Å; L1118-W1247 HydrophobicContact CG-CH2 4.26Å; F1122-W1247 HydrophobicContact CB-CH2 4.15Å; F1122-W1247 HydrophobicContact CB-CZ3 4.27Å; F1122-W1247 HydrophobicContact CD1-CD2 4.01Å; F1122-W1247 AromaticContact CD1-CE3 3.47Å; F1122-W1247 HydrophobicContact CD1-CE3 3.47Å; F1122-W1247 VanDerWaalsContact CD1-CE3 3.47Å; F1122-W1247 HydrophobicContact CD1-CH2 4.1Å; F1122-W1247 AromaticContact CD1-CZ3 3.5Å; F1122-W1247 HydrophobicContact CD1-CZ3 3.5Å; F1122-W1247 HydrophobicContact CE1-CD2 4.4Å; F1122-W1247 AromaticContact CE1-CE3 3.75Å; F1122-W1247 HydrophobicContact CE1-CE3 3.75Å; F1122-W1247 HydrophobicContact CE1-CZ3 4.12Å; F1122-W1247 HydrophobicContact CG-CZ3 4.17Å; L1125-W1247 HydrophobicContact CD2-CD2 4.33Å; L1125-W1247 HydrophobicContact CD2-CG 3.99Å; F1126-W1247 HydrophobicContact CB-CZ2 4.27Å; F1126-W1247 HydrophobicContact CD2-CZ2 4.25Å; Q1243-W1247 VanDerWaalsContact O-CD1 3.22Å; Q1243-W1247 PolarHBondContact O-N 2.93Å; W1247-M1249 VanDerWaalsContact C-N 3.31Å; W1247-M1249 PolarHBondContact O-N 3.18Å; W1247-K1250 PolarHBondContact O-N 3.32Å; W1247-T1251 WeakPolarHBondContact O-CB 2.95Å; W1247-T1251 PolarHBondContact O-N 2.93Å; W1247-T1251 PolarHBondContact O-OG1 3.42Å; W1247-I1271 HydrophobicContact CB-CD1 3.8Å; W1247-I1271 HydrophobicContact CB-CG1 4.45Å; W1247-Y1275 AromaticContact CE3-CD2 3.92Å; W1247-Y1275 HydrophobicContact CE3-CD2 3.92Å; W1247-Y1275 HydrophobicContact CH2-CD1 4.43Å; W1247-Y1275 AromaticContact CH2-CD2 3.55Å; W1247-Y1275 HydrophobicContact CH2-CD2 3.55Å; W1247-Y1275 HydrophobicContact CH2-CE2 4.34Å; W1247-Y1275 AromaticContact CH2-CG 3.61Å; W1247-Y1275 HydrophobicContact CH2-CG 3.61Å; W1247-Y1275 HydrophobicContact CZ2-CG 4.35Å; W1247-Y1275 AromaticContact CZ3-CD2 3.17Å; W1247-Y1275 HydrophobicContact CZ3-CD2 3.17Å; W1247-Y1275 AromaticContact CZ3-CE2 3.87Å; W1247-Y1275 HydrophobicContact CZ3-CE2 3.87Å; W1247-Y1275 AromaticContact CZ3-CG 3.75Å; W1247-Y1275 HydrophobicContact CZ3-CG 3.75Å; W1247-V1276 VanDerWaalsContact CD1-CG2 3.42Å; W1247-V1276 HydrophobicContact CD2-CG2 4.19Å; W1247-V1276 HydrophobicContact CG-CG2 3.82Å |
| 1248 | E | 86.4 | Confident | 83.4 | Confident | 14 Ų | 14 | 56 Ų | 56 | 7% | 0.065 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -40 | 175.2 | 175.9 | 179.3 | -164.9 | 0 | 0 | 111.9 | R409 K1244 L1245 R1252 V1267 F1268 | R409-E1248 IonicContact CZ-OE2 2.74Å; R409-E1248 IonicContact NH2-OE2 3.01Å; R409-E1248 PolarHBondContact NH2-OE2 3.34Å; K1244-E1248 PolarHBondContact O-N 2.88Å; L1245-E1248 PolarHBondContact O-N 3.12Å; E1248-R1252 WeakPolarHBondContact O-CB 3.3Å; E1248-R1252 WeakPolarHBondContact O-CD 3.07Å; E1248-R1252 WeakPolarHBondContact O-CG 3.48Å; E1248-R1252 PolarHBondContact O-N 3.01Å; E1248-R1252 IonicContact OE1-CZ 2.67Å; E1248-R1252 IonicContact OE1-NE 3.35Å; E1248-R1252 PolarHBondContact OE1-NE 3.34Å; E1248-R1252 IonicContact OE1-NH2 2.6Å; E1248-R1252 PolarHBondContact OE1-NH2 2.84Å; E1248-V1267 HydrophobicContact CG-CB 4.5Å; E1248-F1268 HydrophobicContact CB-CD2 4.01Å; E1248-F1268 WeakPolarHBondContact OE2-CB 3.36Å; E1248-F1268 WeakPolarHBondContact OE2-CD2 3.42Å |
| 1249 | M | 85.4 | Confident | 81.4 | Confident | 113 Ų | 113 | 60.4 Ų | 60.4 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63 | -46.4 | 174.2 | -164.4 | 68.7 | 74.7 | 0 | 0 | 110.7 | L1245 D1246 W1247 T1251 R1252 E1253 | L1245-M1249 WeakPolarHBondContact O-CB 3.25Å; L1245-M1249 PolarHBondContact O-N 2.94Å; D1246-M1249 PolarHBondContact O-N 2.73Å; W1247-M1249 VanDerWaalsContact C-N 3.31Å; W1247-M1249 PolarHBondContact O-N 3.18Å; M1249-T1251 PolarHBondContact O-N 3.34Å; M1249-R1252 CarbonylContact O-C 3.49Å; M1249-R1252 WeakPolarHBondContact O-CA 3.45Å; M1249-R1252 WeakPolarHBondContact O-CB 3.05Å; M1249-R1252 PolarHBondContact O-N 3.08Å; M1249-E1253 WeakPolarHBondContact O-CG 3.02Å; M1249-E1253 PolarHBondContact O-N 3.27Å |
| 1250 | K | 86.3 | Confident | 79.4 | Confident | 60 Ų | 60 | 67 Ų | 67 | 26% | 0.261 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.6 | -35.8 | -178.8 | -153.2 | 55 | 157.3 | -175.2 | 0 | 113 | T1121 F1122 L1125 D1246 W1247 E1253 T1254 | T1121-K1250 HydrophobicContact CG2-CD 4.17Å; T1121-K1250 HydrophobicContact CG2-CG 4.18Å; F1122-K1250 HydrophobicContact CD1-CB 4.39Å; F1122-K1250 HydrophobicContact CD1-CG 4.35Å; F1122-K1250 HydrophobicContact CE1-CB 3.91Å; F1122-K1250 HydrophobicContact CE1-CG 4.19Å; F1122-K1250 HydrophobicContact CZ-CB 4.38Å; F1122-K1250 HydrophobicContact CZ-CG 4.48Å; L1125-K1250 HydrophobicContact CD2-CB 3.88Å; L1125-K1250 HydrophobicContact CD2-CG 4.07Å; D1246-K1250 WeakPolarHBondContact O-CB 3.29Å; D1246-K1250 PolarHBondContact O-N 2.83Å; W1247-K1250 PolarHBondContact O-N 3.32Å; K1250-E1253 WeakPolarHBondContact CD-OE2 3.2Å; K1250-E1253 WeakPolarHBondContact CE-OE2 3.48Å; K1250-E1253 IonicContact NZ-OE2 2.84Å; K1250-E1253 PolarHBondContact NZ-OE2 2.85Å; K1250-E1253 PolarHBondContact O-N 3.48Å; K1250-T1254 PolarHBondContact O-N 3.29Å; K1250-T1254 PolarHBondContact O-OG1 3.41Å |
| 1251 | T | 82.7 | Confident | 77.4 | Confident | 35 Ų | 35 | 68.7 Ų | 68.7 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.5 | -34 | 170.3 | -51.1 | 0 | 0 | 0 | 0 | 112.1 | F1122 W1247 M1249 T1254 L1255 V1267 | F1122-T1251 WeakPolarHBondContact CE1-OG1 3.36Å; F1122-T1251 WeakPolarHBondContact CZ-OG1 3.4Å; W1247-T1251 WeakPolarHBondContact O-CB 2.95Å; W1247-T1251 PolarHBondContact O-N 2.93Å; W1247-T1251 PolarHBondContact O-OG1 3.42Å; M1249-T1251 PolarHBondContact O-N 3.34Å; T1251-T1254 WeakPolarHBondContact CA-OG1 3.22Å; T1251-T1254 PolarHBondContact O-OG1 2.92Å; T1251-L1255 WeakPolarHBondContact O-CB 3.46Å; T1251-L1255 PolarHBondContact O-N 2.8Å; T1251-V1267 HydrophobicContact CG2-CG1 3.55Å |
| 1252 | R | 80.7 | Confident | 75.5 | Confident | 141 Ų | 141 | 72.4 Ų | 72.4 | 53% | 0.532 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.6 | -38.4 | 172.1 | -71.3 | 164.5 | -179.9 | -127.1 | 5.2 | 112.1 | E1248 M1249 A1256 | E1248-R1252 WeakPolarHBondContact O-CB 3.3Å; E1248-R1252 WeakPolarHBondContact O-CD 3.07Å; E1248-R1252 WeakPolarHBondContact O-CG 3.48Å; E1248-R1252 PolarHBondContact O-N 3.01Å; E1248-R1252 IonicContact OE1-CZ 2.67Å; E1248-R1252 IonicContact OE1-NE 3.35Å; E1248-R1252 PolarHBondContact OE1-NE 3.34Å; E1248-R1252 IonicContact OE1-NH2 2.6Å; E1248-R1252 PolarHBondContact OE1-NH2 2.84Å; M1249-R1252 CarbonylContact O-C 3.49Å; M1249-R1252 WeakPolarHBondContact O-CA 3.45Å; M1249-R1252 WeakPolarHBondContact O-CB 3.05Å; M1249-R1252 PolarHBondContact O-N 3.08Å; R1252-A1256 WeakPolarHBondContact O-CB 3.33Å; R1252-A1256 PolarHBondContact O-N 3.2Å |
| 1253 | E | 82.7 | Confident | 73.7 | Confident | 110 Ų | 110 | 72.3 Ų | 72.3 | 51% | 0.514 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 174 | -74.4 | 174.4 | -164.8 | 0 | 0 | 111.7 | M1249 K1250 | M1249-E1253 WeakPolarHBondContact O-CG 3.02Å; M1249-E1253 PolarHBondContact O-N 3.27Å; K1250-E1253 WeakPolarHBondContact CD-OE2 3.2Å; K1250-E1253 WeakPolarHBondContact CE-OE2 3.48Å; K1250-E1253 IonicContact NZ-OE2 2.84Å; K1250-E1253 PolarHBondContact NZ-OE2 2.85Å; K1250-E1253 PolarHBondContact O-N 3.48Å |
| 1254 | T | 76.9 | Confident | 71.8 | Confident | 33 Ų | 33 | 77.6 Ų | 77.6 | 20% | 0.202 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.5 | -44.2 | 178.6 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | T1121 F1122 K1250 T1251 A1256 S1257 | T1121-T1254 HydrophobicContact CG2-CG2 3.96Å; F1122-T1254 HydrophobicContact CE2-CG2 4.11Å; K1250-T1254 PolarHBondContact O-N 3.29Å; K1250-T1254 PolarHBondContact O-OG1 3.41Å; T1251-T1254 WeakPolarHBondContact CA-OG1 3.22Å; T1251-T1254 PolarHBondContact O-OG1 2.92Å; T1254-A1256 VanDerWaalsContact C-N 3.31Å; T1254-A1256 PolarHBondContact O-N 3.46Å; T1254-S1257 WeakPolarHBondContact O-CB 3.25Å; T1254-S1257 PolarHBondContact O-N 3.2Å; T1254-S1257 PolarHBondContact O-OG 3.42Å |
| 1255 | L | 70.8 | Confident | 70.2 | Confident | 54 Ų | 54 | 80.9 Ų | 80.9 | 28% | 0.283 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69 | -24.7 | 178.9 | -171 | 62.4 | 0 | 0 | 0 | 113.2 | T1251 S1257 N1258 C1261 | T1251-L1255 WeakPolarHBondContact O-CB 3.46Å; T1251-L1255 PolarHBondContact O-N 2.8Å; L1255-S1257 PolarHBondContact O-N 3.21Å; L1255-S1257 VanDerWaalsContact O-N 3.13Å; L1255-N1258 HydrophobicContact CD1-CB 4.39Å; L1255-N1258 CarbonylContact O-C 3.41Å; L1255-N1258 WeakPolarHBondContact O-CA 3.34Å; L1255-N1258 PolarHBondContact O-N 3.28Å; L1255-C1261 HydrophobicContact CD1-CB 3.82Å; L1255-C1261 HydrophobicContact CD2-CB 4.1Å; L1255-C1261 HydrophobicContact CG-CB 4.05Å |
| 1256 | A | 62.8 | Low | 68.9 | Low | 54 Ų | 54 | 80.9 Ų | 80.9 | 45% | 0.446 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1252 T1254 N1258 | R1252-A1256 WeakPolarHBondContact O-CB 3.33Å; R1252-A1256 PolarHBondContact O-N 3.2Å; T1254-A1256 VanDerWaalsContact C-N 3.31Å; T1254-A1256 PolarHBondContact O-N 3.46Å; A1256-N1258 VanDerWaalsContact C-N 3.26Å |
| 1257 | S | 58.1 | Low | 67.8 | Low | 89 Ų | 89 | 78.8 Ų | 78.8 | 62% | 0.622 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.9 | 168.1 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | T1254 L1255 | T1254-S1257 WeakPolarHBondContact O-CB 3.25Å; T1254-S1257 PolarHBondContact O-N 3.2Å; T1254-S1257 PolarHBondContact O-OG 3.42Å; L1255-S1257 PolarHBondContact O-N 3.21Å; L1255-S1257 VanDerWaalsContact O-N 3.13Å |
| 1258 | N | 54.1 | Low | 66.8 | Low | 101 Ų | 101 | 78.5 Ų | 78.5 | 54% | 0.54 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -110.2 | 90.1 | 177.6 | -75.2 | -79.7 | 0 | 0 | 0 | 109.9 | L1255 A1256 D1260 C1261 | L1255-N1258 HydrophobicContact CD1-CB 4.39Å; L1255-N1258 CarbonylContact O-C 3.41Å; L1255-N1258 WeakPolarHBondContact O-CA 3.34Å; L1255-N1258 PolarHBondContact O-N 3.28Å; A1256-N1258 VanDerWaalsContact C-N 3.26Å; N1258-D1260 PolarHBondContact O-N 3.44Å; N1258-C1261 PolarHBondContact O-N 2.91Å |
| 1259 | I | 53.1 | Low | 66 | Low | 139 Ų | 139 | 80.6 Ų | 80.6 | 71% | 0.713 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.2 | -162 | -71.6 | 171.3 | 0 | 0 | 0 | 115 | ||
| 1260 | D | 53.3 | Low | 65.2 | Low | 161 Ų | 161 | 79.6 Ų | 79.6 | 86% | 0.861 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -4.6 | -171.7 | -64 | -43.6 | 0 | 0 | 0 | 115.6 | N1258 | N1258-D1260 PolarHBondContact O-N 3.44Š|
| 1261 | C | 51.5 | Low | 64.8 | Low | 67 Ų | 67 | 77.1 Ų | 77.1 | 45% | 0.453 | 44% | 0.439 | S | S | . | . | trans | -102.6 | -7.7 | -166 | -66.2 | 0 | 0 | 0 | 0 | 116.4 | L1255 N1258 G1263 | L1255-C1261 HydrophobicContact CD1-CB 3.82Å; L1255-C1261 HydrophobicContact CD2-CB 4.1Å; L1255-C1261 HydrophobicContact CG-CB 4.05Å; N1258-C1261 PolarHBondContact O-N 2.91Å; C1261-G1263 VanDerWaalsContact C-N 3.29Å; C1261-G1263 PolarHBondContact O-N 2.85Å | ||
| 1262 | I | 53 | Low | 64.5 | Low | 119 Ų | 119 | 77.6 Ų | 77.6 | 61% | 0.61 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -7.9 | -152.7 | -63.9 | 169.1 | 0 | 0 | 0 | 115.2 | ||
| 1263 | G | 55.3 | Low | 64.5 | Low | 74 Ų | 74 | 73.1 Ų | 73.1 | 76% | 0.763 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -11.6 | -161.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | C1261 | C1261-G1263 VanDerWaalsContact C-N 3.29Å; C1261-G1263 PolarHBondContact O-N 2.85Å |
| 1264 | V | 53.8 | Low | 64.5 | Low | 111 Ų | 111 | 72.5 Ų | 72.5 | 67% | 0.673 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -135 | -13.5 | -158.6 | -162.8 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1265 | V | 56.4 | Low | 64.9 | Low | 85 Ų | 85 | 73.2 Ų | 73.2 | 52% | 0.515 | 44% | 0.435 | S | S | . | . | trans | -97.9 | 125.4 | -174.4 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | V1267 D1270 | V1265-V1267 HydrophobicContact CB-CG2 4Å; V1265-V1267 HydrophobicContact CG1-CG2 3.83Å; V1265-V1267 PolarHBondContact O-N 2.98Å; V1265-D1270 VanDerWaalsContact CG1-OD2 3.24Å; V1265-D1270 WeakPolarHBondContact CG1-OD2 2.99Å | ||
| 1266 | D | 62.7 | Low | 65.7 | Low | 68 Ų | 68 | 70.7 Ų | 70.7 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | trans | -78.7 | 66.2 | 167.8 | -170.9 | -3.5 | 0 | 0 | 0 | 108.4 | F1268 K1269 | D1266-F1268 CarbonylContact O-C 3.59Å; D1266-F1268 PolarHBondContact O-N 3.39Å; D1266-K1269 HydrophobicContact CB-CG 4.41Å; D1266-K1269 WeakPolarHBondContact O-CB 3.49Å; D1266-K1269 PolarHBondContact O-N 2.92Å; D1266-K1269 VanDerWaalsContact OD2-CD 3.27Å; D1266-K1269 WeakPolarHBondContact OD2-CD 3.33Å; D1266-K1269 WeakPolarHBondContact OD2-CE 2.9Å; D1266-K1269 WeakPolarHBondContact OD2-CG 3.31Å | ||
| 1267 | V | 67.6 | Low | 67 | Low | 20 Ų | 20 | 68.5 Ų | 68.5 | 12% | 0.121 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -46 | -35.2 | -172.4 | 171.1 | 0 | 0 | 0 | 0 | 112.3 | E1248 T1251 V1265 K1269 D1270 I1271 | E1248-V1267 HydrophobicContact CG-CB 4.5Å; T1251-V1267 HydrophobicContact CG2-CG1 3.55Å; V1265-V1267 HydrophobicContact CB-CG2 4Å; V1265-V1267 HydrophobicContact CG1-CG2 3.83Å; V1265-V1267 PolarHBondContact O-N 2.98Å; V1267-K1269 VanDerWaalsContact C-N 3.33Å; V1267-K1269 PolarHBondContact O-N 3.12Å; V1267-D1270 PolarHBondContact O-N 3.5Å; V1267-D1270 VanDerWaalsContact O-N 3.11Å; V1267-I1271 PolarHBondContact O-N 3.42Å |
| 1268 | F | 69.6 | Low | 68.6 | Low | 1 Ų | 1 | 67.7 Ų | 67.7 | 0% | 0.004 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -52.5 | -48 | 174 | -161.2 | -111.2 | 0 | 0 | 0 | 112.2 | S391 N392 Y393 R409 M1241 K1244 L1245 E1248 D1266 D1270 I1271 | S391-F1268 PolarHBondContact OG-O 3.32Å; S391-F1268 VanDerWaalsContact OG-O 3.12Å; N392-F1268 HydrophobicContact CB-CD1 3.33Å; N392-F1268 HydrophobicContact CB-CE1 3.48Å; N392-F1268 VanDerWaalsContact CB-CE1 3.48Å; N392-F1268 HydrophobicContact CB-CG 4.41Å; N392-F1268 WeakPolarHBondContact ND2-CD1 3.44Å; N392-F1268 VanDerWaalsContact ND2-CE1 3.35Å; N392-F1268 WeakPolarHBondContact ND2-CE1 3.27Å; N392-F1268 PolarHBondContact ND2-O 2.84Å; Y393-F1268 AromaticContact CD2-CD1 3.95Å; Y393-F1268 HydrophobicContact CD2-CD1 3.95Å; Y393-F1268 AromaticContact CD2-CE1 3.52Å; Y393-F1268 HydrophobicContact CD2-CE1 3.52Å; Y393-F1268 HydrophobicContact CE2-CD1 4.33Å; Y393-F1268 AromaticContact CE2-CE1 3.51Å; Y393-F1268 HydrophobicContact CE2-CE1 3.51Å; Y393-F1268 HydrophobicContact CE2-CZ 4.16Å; R409-F1268 VanDerWaalsContact NH1-CD1 3.3Å; R409-F1268 VanDerWaalsContact NH2-CG 3.25Å; M1241-F1268 HydrophobicContact CE-CE1 3.92Å; M1241-F1268 HydrophobicContact CE-CZ 3.71Å; K1244-F1268 HydrophobicContact CB-CD2 4.19Å; K1244-F1268 HydrophobicContact CB-CE2 3.44Å; K1244-F1268 VanDerWaalsContact CB-CE2 3.44Å; K1244-F1268 HydrophobicContact CB-CZ 3.82Å; K1244-F1268 HydrophobicContact CD-CZ 4.42Å; L1245-F1268 HydrophobicContact CD2-CD2 4.27Å; L1245-F1268 HydrophobicContact CD2-CE2 3.67Å; L1245-F1268 HydrophobicContact CD2-CZ 4.26Å; L1245-F1268 HydrophobicContact CG-CE2 3.89Å; L1245-F1268 HydrophobicContact CG-CZ 4.44Å; E1248-F1268 HydrophobicContact CB-CD2 4.01Å; E1248-F1268 WeakPolarHBondContact OE2-CB 3.36Å; E1248-F1268 WeakPolarHBondContact OE2-CD2 3.42Å; D1266-F1268 CarbonylContact O-C 3.59Å; D1266-F1268 PolarHBondContact O-N 3.39Å; F1268-D1270 PolarHBondContact O-N 3.43Å; F1268-I1271 HydrophobicContact CD2-CD1 4.29Å; F1268-I1271 PolarHBondContact O-N 2.94Å |
| 1269 | K | 70.1 | Confident | 70.5 | Confident | 57 Ų | 57 | 63.2 Ų | 63.2 | 25% | 0.248 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.8 | -13.9 | 179.3 | -68.2 | -167.6 | -178.5 | -156.6 | 0 | 115.1 | S390 S391 N392 Y393 T394 D1266 V1267 | S390-K1269 CarbonylContact C-O 3.56Å; S390-K1269 WeakPolarHBondContact CB-O 3.09Å; S390-K1269 PolarHBondContact OG-O 2.93Å; S391-K1269 VanDerWaalsContact O-CA 3.3Å; S391-K1269 WeakPolarHBondContact O-CA 3.04Å; S391-K1269 PolarHBondContact OG-O 2.59Å; S391-K1269 VanDerWaalsContact OG-O 3.12Å; N392-K1269 HydrophobicContact CB-CG 4.11Å; N392-K1269 WeakPolarHBondContact O-CE 3.28Å; N392-K1269 WeakPolarHBondContact O-CG 3.4Å; Y393-K1269 WeakPolarHBondContact O-CE 3.38Å; Y393-K1269 PolarHBondContact O-NZ 3.11Å; T394-K1269 PolarHBondContact OG1-NZ 3.4Å; D1266-K1269 HydrophobicContact CB-CG 4.41Å; D1266-K1269 WeakPolarHBondContact O-CB 3.49Å; D1266-K1269 PolarHBondContact O-N 2.92Å; D1266-K1269 VanDerWaalsContact OD2-CD 3.27Å; D1266-K1269 WeakPolarHBondContact OD2-CD 3.33Å; D1266-K1269 WeakPolarHBondContact OD2-CE 2.9Å; D1266-K1269 WeakPolarHBondContact OD2-CG 3.31Å; V1267-K1269 VanDerWaalsContact C-N 3.33Å; V1267-K1269 PolarHBondContact O-N 3.12Å |
| 1270 | D | 68.4 | Low | 72.3 | Confident | 93 Ų | 93 | 60.6 Ų | 60.6 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -98.4 | -6.2 | -179.1 | -59.4 | -40.9 | 0 | 0 | 0 | 112.1 | V1265 V1267 F1268 P1272 | V1265-D1270 VanDerWaalsContact CG1-OD2 3.24Å; V1265-D1270 WeakPolarHBondContact CG1-OD2 2.99Å; V1267-D1270 PolarHBondContact O-N 3.5Å; V1267-D1270 VanDerWaalsContact O-N 3.11Å; F1268-D1270 PolarHBondContact O-N 3.43Å; D1270-P1272 WeakPolarHBondContact O-CD 3.12Å |
| 1271 | I | 76.9 | Confident | 74.2 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -62.9 | 116.1 | 172.5 | -60.3 | 166.9 | 0 | 0 | 0 | 109.6 | S390 S391 K1244 W1247 V1267 F1268 V1276 | S390-I1271 VanDerWaalsContact CB-O 3.26Å; S390-I1271 WeakPolarHBondContact CB-O 3.44Å; S391-I1271 WeakPolarHBondContact CB-O 3.31Å; S391-I1271 PolarHBondContact OG-O 3.33Å; K1244-I1271 HydrophobicContact CB-CD1 4.19Å; K1244-I1271 HydrophobicContact CG-CD1 4.38Å; K1244-I1271 VanDerWaalsContact O-CD1 3.29Å; K1244-I1271 WeakPolarHBondContact O-CD1 3.47Å; W1247-I1271 HydrophobicContact CB-CD1 3.8Å; W1247-I1271 HydrophobicContact CB-CG1 4.45Å; V1267-I1271 PolarHBondContact O-N 3.42Å; F1268-I1271 HydrophobicContact CD2-CD1 4.29Å; F1268-I1271 PolarHBondContact O-N 2.94Å; I1271-V1276 HydrophobicContact CG2-CG2 4.31Å |
| 1272 | P | 77.2 | Confident | 76.1 | Confident | 44 Ų | 44 | 52.8 Ų | 52.8 | 29% | 0.286 | 32% | 0.316 | S | S | . | . | trans | -64.2 | 141.4 | 176.4 | -22.4 | 34.8 | 0 | 0 | 0 | 112.5 | D1270 N1274 Y1275 | D1270-P1272 WeakPolarHBondContact O-CD 3.12Å; P1272-N1274 PolarHBondContact O-N 3.1Å; P1272-Y1275 HydrophobicContact CB-CD2 4.47Å; P1272-Y1275 HydrophobicContact CB-CG 4.46Å; P1272-Y1275 HydrophobicContact CG-CD2 4.03Å; P1272-Y1275 HydrophobicContact CG-CE2 3.81Å; P1272-Y1275 HydrophobicContact CG-CG 4.5Å; P1272-Y1275 PolarHBondContact O-N 3.43Å | ||
| 1273 | A | 80.4 | Confident | 77.9 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N389 P1277 | N389-A1273 PolarHBondContact O-N 2.87Å; A1273-P1277 WeakPolarHBondContact O-CA 3.4Å |
| 1274 | N | 82.3 | Confident | 79.6 | Confident | 98 Ų | 98 | 49.7 Ų | 49.7 | 52% | 0.524 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -23.1 | 175.8 | -68.3 | -12.5 | 0 | 0 | 0 | 113.6 | P1272 | P1272-N1274 PolarHBondContact O-N 3.1Š|
| 1275 | Y | 85.1 | Confident | 81.4 | Confident | 47 Ų | 47 | 45.4 Ų | 45.4 | 18% | 0.184 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -42.3 | -177.5 | -67.6 | -3.5 | 0 | 0 | 0 | 111.7 | P1115 H1117 L1118 F1126 W1247 P1272 P1277 | P1115-Y1275 HydrophobicContact CB-CE1 4.28Å; P1115-Y1275 HydrophobicContact CG-CD1 3.92Å; P1115-Y1275 HydrophobicContact CG-CE1 4.05Å; H1117-Y1275 PolarHBondContact CD2-OH 3.48Å; H1117-Y1275 AromaticContact NE2-CE1 3.78Å; L1118-Y1275 HydrophobicContact CD1-CE2 4.48Å; F1126-Y1275 WeakPolarHBondContact CD2-O 3.3Å; F1126-Y1275 WeakPolarHBondContact CE2-O 3.46Å; W1247-Y1275 AromaticContact CE3-CD2 3.92Å; W1247-Y1275 HydrophobicContact CE3-CD2 3.92Å; W1247-Y1275 HydrophobicContact CH2-CD1 4.43Å; W1247-Y1275 AromaticContact CH2-CD2 3.55Å; W1247-Y1275 HydrophobicContact CH2-CD2 3.55Å; W1247-Y1275 HydrophobicContact CH2-CE2 4.34Å; W1247-Y1275 AromaticContact CH2-CG 3.61Å; W1247-Y1275 HydrophobicContact CH2-CG 3.61Å; W1247-Y1275 HydrophobicContact CZ2-CG 4.35Å; W1247-Y1275 AromaticContact CZ3-CD2 3.17Å; W1247-Y1275 HydrophobicContact CZ3-CD2 3.17Å; W1247-Y1275 AromaticContact CZ3-CE2 3.87Å; W1247-Y1275 HydrophobicContact CZ3-CE2 3.87Å; W1247-Y1275 AromaticContact CZ3-CG 3.75Å; W1247-Y1275 HydrophobicContact CZ3-CG 3.75Å; P1272-Y1275 HydrophobicContact CB-CD2 4.47Å; P1272-Y1275 HydrophobicContact CB-CG 4.46Å; P1272-Y1275 HydrophobicContact CG-CD2 4.03Å; P1272-Y1275 HydrophobicContact CG-CE2 3.81Å; P1272-Y1275 HydrophobicContact CG-CG 4.5Å; P1272-Y1275 PolarHBondContact O-N 3.43Å; Y1275-P1277 VanDerWaalsContact C-CD 3.48Å; Y1275-P1277 WeakPolarHBondContact O-CD 3.34Å |
| 1276 | V | 89 | Confident | 83 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -121.1 | 78.5 | 172.3 | -170.3 | 0 | 0 | 0 | 0 | 109.5 | M1240 Q1243 K1244 W1247 I1271 | M1240-V1276 HydrophobicContact CG-CG1 4.02Å; Q1243-V1276 HydrophobicContact CB-CG1 3.48Å; Q1243-V1276 VanDerWaalsContact CB-CG1 3.48Å; K1244-V1276 HydrophobicContact CG-CB 3.9Å; K1244-V1276 HydrophobicContact CG-CG1 3.94Å; K1244-V1276 HydrophobicContact CG-CG2 4.16Å; W1247-V1276 VanDerWaalsContact CD1-CG2 3.42Å; W1247-V1276 HydrophobicContact CD2-CG2 4.19Å; W1247-V1276 HydrophobicContact CG-CG2 3.82Å; I1271-V1276 HydrophobicContact CG2-CG2 4.31Å |
| 1277 | P | 89.7 | Confident | 84.4 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 144 | -179.8 | 30.9 | -35.6 | 0 | 0 | 0 | 112.1 | R1133 A1273 Y1275 | R1133-P1277 WeakPolarHBondContact CD-O 3.32Å; A1273-P1277 WeakPolarHBondContact O-CA 3.4Å; Y1275-P1277 VanDerWaalsContact C-CD 3.48Å; Y1275-P1277 WeakPolarHBondContact O-CD 3.34Å |
| 1278 | L | 91.7 | Very high | 85.4 | Confident | 71 Ų | 71 | 40.1 Ų | 40.1 | 37% | 0.372 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -68.1 | 138.6 | 168.8 | -174.4 | 65.7 | 0 | 0 | 0 | 110.5 | A1236 E1237 M1240 | A1236-L1278 VanDerWaalsContact C-CD1 3.49Å; A1236-L1278 HydrophobicContact CB-CD1 3.86Å; A1236-L1278 WeakPolarHBondContact O-CD1 3.47Å; E1237-L1278 HydrophobicContact CG-CD1 3.99Å; M1240-L1278 HydrophobicContact CB-CD1 4.15Å; M1240-L1278 HydrophobicContact CE-CD1 4.49Å; M1240-L1278 HydrophobicContact SD-CB 4.09Å; M1240-L1278 HydrophobicContact SD-CD1 4.23Å |
| 1279 | I | 93.2 | Very high | 85.8 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 131.7 | 173.2 | -62.4 | 169.8 | 0 | 0 | 0 | 109.3 | R1133 Q1136 A1137 A1236 L1239 V1281 | R1133-I1279 HydrophobicContact CB-CD1 4.28Å; R1133-I1279 HydrophobicContact CB-CG1 4.14Å; R1133-I1279 HydrophobicContact CG-CD1 4.31Å; R1133-I1279 HydrophobicContact CG-CG1 4.11Å; Q1136-I1279 HydrophobicContact CB-CD1 3.62Å; Q1136-I1279 HydrophobicContact CG-CD1 3.52Å; A1137-I1279 HydrophobicContact CB-CG2 3.88Å; A1236-I1279 HydrophobicContact CB-CB 3.92Å; L1239-I1279 HydrophobicContact CD2-CD1 3.99Å; I1279-V1281 PolarHBondContact O-N 2.91Å |
| 1280 | P | 92.1 | Very high | 85.8 | Confident | 84 Ų | 84 | 44.8 Ų | 44.8 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | trans | -72.6 | 99.8 | -179.6 | 29.4 | -34.8 | 0 | 0 | 0 | 111.5 | Y1109 | Y1109-P1280 HydrophobicContact CD2-CG 3.87Å; Y1109-P1280 HydrophobicContact CE2-CG 4.19Å | ||
| 1281 | V | 93.1 | Very high | 86.2 | Confident | 24 Ų | 24 | 42.3 Ų | 42.3 | 15% | 0.145 | 24% | 0.241 | C | C | . | . | trans | -85.1 | 122.8 | 170.8 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | L1229 Q1232 A1236 I1279 | L1229-V1281 HydrophobicContact CD2-CG1 4.39Å; Q1232-V1281 HydrophobicContact CB-CG1 3.91Å; Q1232-V1281 HydrophobicContact CB-CG2 4.19Å; A1236-V1281 HydrophobicContact CB-CG2 3.93Å; I1279-V1281 PolarHBondContact O-N 2.91Å | ||
| 1282 | P | 90.5 | Very high | 85.6 | Confident | 40 Ų | 40 | 46.6 Ų | 46.6 | 26% | 0.26 | 27% | 0.269 | S | S | . | . | trans | -72.9 | 143 | 178.6 | 30.8 | -34.6 | 0 | 0 | 0 | 110.7 | L1229 | L1229-P1282 HydrophobicContact CD2-CG 4.44Å; L1229-P1282 WeakPolarHBondContact CD2-O 3.47Å | ||
| 1283 | N | 89.7 | Confident | 84.7 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -82.5 | -20.5 | -171.9 | -57.4 | -68 | 0 | 0 | 0 | 113.6 | N303 | N303-N1283 VanDerWaalsContact CA-OD1 3.29Å; N303-N1283 WeakPolarHBondContact CA-OD1 3.22Å; N303-N1283 HydrophobicContact CB-CB 4.15Å; N303-N1283 VanDerWaalsContact CG-CB 3.45Å; N303-N1283 VanDerWaalsContact N-CG 3.34Å; N303-N1283 PolarHBondContact N-OD1 3.39Å; N303-N1283 WeakPolarHBondContact OD1-CB 3.23Å; N303-N1283 VanDerWaalsContact OD1-CG 3.22Å; N303-N1283 PolarHBondContact OD1-ND2 2.79Å |
| 1284 | D | 91.2 | Very high | 83.2 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | trans | -152.7 | 164.5 | 168.3 | -156.9 | 73.1 | 0 | 0 | 0 | 108.8 | K1225 | K1225-D1284 VanDerWaalsContact CE-CG 3.43Å; K1225-D1284 WeakPolarHBondContact CE-OD1 3.42Å; K1225-D1284 WeakPolarHBondContact CE-OD2 3.32Å; K1225-D1284 IonicContact NZ-OD1 2.78Å; K1225-D1284 PolarHBondContact NZ-OD1 2.95Å; K1225-D1284 IonicContact NZ-OD2 2.68Å; K1225-D1284 PolarHBondContact NZ-OD2 3.5Å | ||
| 1285 | F | 91.9 | Very high | 81 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 9% | 0.092 | 32% | 0.317 | C | S | . | . | trans | -157.3 | 149.7 | 175.6 | 67.2 | -86.8 | 0 | 0 | 0 | 109.7 | R1144 L1147 K1225 L1228 L1229 L1287 | R1144-F1285 HydrophobicContact CB-CD2 4.12Å; R1144-F1285 HydrophobicContact CB-CE1 4.18Å; R1144-F1285 HydrophobicContact CB-CE2 3.76Å; R1144-F1285 HydrophobicContact CB-CZ 3.78Å; R1144-F1285 HydrophobicContact CG-CD1 4.09Å; R1144-F1285 HydrophobicContact CG-CE1 3.67Å; R1144-F1285 HydrophobicContact CG-CE2 4.19Å; R1144-F1285 HydrophobicContact CG-CG 4.5Å; R1144-F1285 HydrophobicContact CG-CZ 3.73Å; L1147-F1285 HydrophobicContact CD2-CZ 4.05Å; K1225-F1285 HydrophobicContact CB-CZ 4.45Å; K1225-F1285 HydrophobicContact CD-CD1 4.38Å; K1225-F1285 HydrophobicContact CD-CE1 4.13Å; K1225-F1285 HydrophobicContact CD-CZ 4.28Å; K1225-F1285 WeakPolarHBondContact CE-O 3.24Å; K1225-F1285 HydrophobicContact CG-CD1 4.3Å; K1225-F1285 HydrophobicContact CG-CE1 3.69Å; K1225-F1285 HydrophobicContact CG-CZ 4.01Å; K1225-F1285 PolarHBondContact NZ-O 2.81Å; L1228-F1285 HydrophobicContact CD2-CE1 4.5Å; L1228-F1285 HydrophobicContact CD2-CZ 4.17Å; L1229-F1285 HydrophobicContact CD1-CD1 4.03Å; L1229-F1285 HydrophobicContact CD1-CE1 4.13Å; L1229-F1285 HydrophobicContact CD2-CD1 3.84Å; L1229-F1285 HydrophobicContact CD2-CE1 3.73Å; L1229-F1285 HydrophobicContact CG-CD1 4.22Å; L1229-F1285 HydrophobicContact CG-CE1 3.94Å; F1285-L1287 HydrophobicContact CE2-CD2 4.14Å | ||
| 1286 | P | 90.7 | Very high | 78.6 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 25% | 0.247 | 32% | 0.323 | C | S | . | . | trans | -61.6 | 139.6 | 179.1 | 25.6 | -34.4 | 0 | 0 | 0 | 111.7 | F1288 D1291 V1293 | P1286-F1288 WeakPolarHBondContact CB-O 3.43Å; P1286-D1291 HydrophobicContact CB-CB 4.05Å; P1286-V1293 HydrophobicContact CG-CG2 4.36Å | ||
| 1287 | L | 91.1 | Very high | 75.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -94.8 | -22.5 | 165.4 | -69.2 | 175.7 | 0 | 0 | 0 | 111.6 | L1147 F1221 Q1222 K1225 F1285 D1291 | L1147-L1287 HydrophobicContact CD2-CD2 4.1Å; L1147-L1287 HydrophobicContact CG-CD2 4.27Å; F1221-L1287 HydrophobicContact CB-CD1 3.93Å; Q1222-L1287 HydrophobicContact CG-CD1 3.86Å; K1225-L1287 HydrophobicContact CB-CD2 4.37Å; K1225-L1287 HydrophobicContact CD-CD1 3.99Å; K1225-L1287 HydrophobicContact CD-CD2 3.97Å; K1225-L1287 HydrophobicContact CD-CG 3.82Å; F1285-L1287 HydrophobicContact CE2-CD2 4.14Å; L1287-D1291 WeakPolarHBondContact CA-OD2 3.19Å; L1287-D1291 PolarHBondContact N-OD2 3.01Å |
| 1288 | F | 89.2 | Confident | 73.1 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 11% | 0.105 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -135.1 | 150.6 | 172.1 | -51.6 | -77 | 0 | 0 | 0 | 109.1 | A1151 E1152 V1155 I1218 P1286 H1290 D1291 | A1151-F1288 HydrophobicContact CB-CE1 3.94Å; A1151-F1288 HydrophobicContact CB-CZ 3.86Å; E1152-F1288 HydrophobicContact CG-CD1 4.29Å; V1155-F1288 HydrophobicContact CG2-CE1 3.6Å; V1155-F1288 HydrophobicContact CG2-CZ 3.81Å; I1218-F1288 HydrophobicContact CG1-CE2 4.16Å; P1286-F1288 WeakPolarHBondContact CB-O 3.43Å; F1288-H1290 PolarHBondContact O-N 3.11Å; F1288-D1291 PolarHBondContact N-OD2 2.74Å; F1288-D1291 WeakPolarHBondContact O-CB 3.03Å; F1288-D1291 PolarHBondContact O-N 2.84Å |
| 1289 | A | 78 | Confident | 70 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 34% | 0.339 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D1090 | D1090-A1289 HydrophobicContact CB-CB 3.42Å; D1090-A1289 VanDerWaalsContact CB-CB 3.42Å |
| 1290 | H | 70.5 | Confident | 67.2 | Low | 116 Ų | 116 | 71.9 Ų | 71.9 | 54% | 0.537 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 6.3 | 179 | -67.7 | -101.9 | 0 | 0 | 0 | 113.2 | G1087 D1090 F1288 | G1087-H1290 WeakPolarHBondContact CA-NE2 3.19Å; D1090-H1290 IonicContact OD2-CD2 2.65Å; D1090-H1290 IonicContact OD2-CE1 2.72Å; D1090-H1290 IonicContact OD2-NE2 2.79Å; D1090-H1290 PolarHBondContact OD2-NE2 3.17Å; F1288-H1290 PolarHBondContact O-N 3.11Å |
| 1291 | D | 77.4 | Confident | 64.1 | Low | 41 Ų | 41 | 72.4 Ų | 72.4 | 22% | 0.219 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -64.4 | 136.2 | 168.1 | -76.2 | -23.7 | 0 | 0 | 0 | 109.7 | P1286 L1287 F1288 V1293 | P1286-D1291 HydrophobicContact CB-CB 4.05Å; L1287-D1291 WeakPolarHBondContact CA-OD2 3.19Å; L1287-D1291 PolarHBondContact N-OD2 3.01Å; F1288-D1291 PolarHBondContact N-OD2 2.74Å; F1288-D1291 WeakPolarHBondContact O-CB 3.03Å; F1288-D1291 PolarHBondContact O-N 2.84Å; D1291-V1293 PolarHBondContact O-N 2.85Å |
| 1292 | P | 64.5 | Low | 61.1 | Low | 97 Ų | 97 | 78.6 Ų | 78.6 | 63% | 0.63 | 43% | 0.431 | S | S | * | . | trans | -65.3 | 107.4 | 178.9 | 26.5 | -33.8 | 0 | 0 | 0 | 110.4 | H1294 | P1292-H1294 VanDerWaalsContact C-N 3.34Å; P1292-H1294 PolarHBondContact O-N 2.82Å | ||
| 1293 | V | 58.2 | Low | 58.2 | Low | 106 Ų | 106 | 82.8 Ų | 82.8 | 64% | 0.642 | 46% | 0.456 | S | S | * | . | trans | -67.6 | 92.5 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | P1286 D1291 R1295 | P1286-V1293 HydrophobicContact CG-CG2 4.36Å; D1291-V1293 PolarHBondContact O-N 2.85Å; V1293-R1295 PolarHBondContact O-N 2.71Å | ||
| 1294 | H | 47.4 | Very low | 55.5 | Low | 155 Ų | 155 | 85.4 Ų | 85.4 | 72% | 0.718 | 47% | 0.474 | S | S | * | . | trans | -66 | 82.8 | 167.9 | -74.7 | -64.7 | 0 | 0 | 0 | 109.5 | P1292 A1296 | P1292-H1294 VanDerWaalsContact C-N 3.34Å; P1292-H1294 PolarHBondContact O-N 2.82Å; H1294-A1296 VanDerWaalsContact C-N 3.28Å; H1294-A1296 PolarHBondContact O-N 3Å | ||
| 1295 | R | 37 | Very low | 52.8 | Low | 221 Ų | 221 | 85.2 Ų | 85.2 | 83% | 0.834 | 48% | 0.483 | S | S | * | . | trans | -64.5 | 86.1 | 177.4 | -172.6 | 176.6 | -173.7 | 157.4 | 2 | 110 | V1293 T1297 | V1293-R1295 PolarHBondContact O-N 2.71Å; R1295-T1297 PolarHBondContact O-N 2.86Å | ||
| 1296 | A | 34.7 | Very low | 50.2 | Low | 39 Ų | 39 | 85.9 Ų | 85.9 | 32% | 0.322 | 50% | 0.496 | S | S | . | . | trans | -53 | 115.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | H1294 T1298 | H1294-A1296 VanDerWaalsContact C-N 3.28Å; H1294-A1296 PolarHBondContact O-N 3Å; A1296-T1298 PolarHBondContact O-N 3.25Å | ||
| 1297 | T | 29.2 | Very low | 47.5 | Very low | 91 Ų | 91 | 91.8 Ų | 91.8 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | trans | -75 | 113.1 | -174 | -59.6 | 0 | 0 | 0 | 0 | 108.8 | T305 I306 R1295 T1299 | T305-T1297 PolarHBondContact OG1-O 2.79Å; I306-T1297 WeakPolarHBondContact CD1-O 3.4Å; R1295-T1297 PolarHBondContact O-N 2.86Å; T1297-T1299 WeakPolarHBondContact CG2-OG1 3.12Å | ||
| 1298 | T | 34.6 | Very low | 44.9 | Very low | 93 Ų | 93 | 95.1 Ų | 95.1 | 57% | 0.571 | 55% | 0.554 | S | S | * | * | trans | -94.9 | 85 | 169 | -51.9 | 0 | 0 | 0 | 0 | 108 | T305 A1296 T1300 | T305-T1298 HydrophobicContact CG2-CG2 4.02Å; T305-T1298 WeakPolarHBondContact CG2-OG1 3.46Å; A1296-T1298 PolarHBondContact O-N 3.25Å; T1298-T1300 PolarHBondContact O-N 2.66Å | ||
| 1299 | T | 26.5 | Very low | 42.3 | Very low | 68 Ų | 68 | 98.7 Ų | 98.7 | 42% | 0.417 | 58% | 0.578 | S | S | . | * | trans | -73.7 | 68.2 | 178.8 | -46.3 | 0 | 0 | 0 | 0 | 111.4 | I306 S307 T1297 T1301 | I306-T1299 WeakPolarHBondContact CD1-OG1 2.94Å; S307-T1299 PolarHBondContact OG-O 2.74Å; S307-T1299 VanDerWaalsContact OG-O 3.08Å; T1297-T1299 WeakPolarHBondContact CG2-OG1 3.12Å; T1299-T1301 PolarHBondContact O-N 3.17Å | ||
| 1300 | T | 32.8 | Very low | 40.3 | Very low | 84 Ų | 84 | 100.1 Ų | 100.1 | 52% | 0.515 | 59% | 0.59 | S | S | . | * | trans | -82.4 | 101.9 | 163.2 | -51.1 | 0 | 0 | 0 | 0 | 107.8 | T1298 I1302 | T1298-T1300 PolarHBondContact O-N 2.66Å; T1300-I1302 PolarHBondContact O-N 2.67Å | ||
| 1301 | T | 28 | Very low | 38.6 | Very low | 94 Ų | 94 | 96.6 Ų | 96.6 | 58% | 0.577 | 58% | 0.577 | S | S | * | * | trans | -63.4 | 130.4 | -179.1 | 15.5 | 0 | 0 | 0 | 0 | 112 | T1299 | T1299-T1301 PolarHBondContact O-N 3.17Š| ||
| 1302 | I | 29.2 | Very low | 36.6 | Very low | 155 Ų | 155 | 99.3 Ų | 99.3 | 80% | 0.795 | 60% | 0.604 | S | S | * | * | trans | -108.6 | 129.9 | 171.6 | -59.3 | 172.9 | 0 | 0 | 0 | 107.5 | T1300 | T1300-I1302 PolarHBondContact O-N 2.67Š| ||
| 1303 | T | 31 | Very low | 35.2 | Very low | 127 Ų | 127 | 100.1 Ų | 100.1 | 78% | 0.779 | 61% | 0.608 | S | S | * | * | trans | -154.9 | 100.2 | 175 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1304 | T | 31.9 | Very low | 34 | Very low | 106 Ų | 106 | 100.7 Ų | 100.7 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | trans | -159.2 | 138 | 163.4 | 15.1 | 0 | 0 | 0 | 0 | 108.5 | S214 | S214-T1304 WeakPolarHBondContact OG-CB 3.42Å; S214-T1304 VanDerWaalsContact OG-CG2 3.24Å; S214-T1304 WeakPolarHBondContact OG-CG2 3.48Å | ||
| 1305 | A | 34.7 | Very low | 33.2 | Very low | 73 Ų | 73 | 101.2 Ų | 101.2 | 60% | 0.603 | 62% | 0.617 | S | S | * | * | trans | -164.7 | 137 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T213 S214 | T213-A1305 VanDerWaalsContact C-C 3.47Å; T213-A1305 CarbonylContact C-O 3.18Å; T213-A1305 PolarHBondContact N-O 2.9Å; T213-A1305 CarbonylContact O-C 3.31Å; T213-A1305 WeakPolarHBondContact O-CA 3.21Å; T213-A1305 PolarHBondContact O-N 2.69Å; S214-A1305 CarbonylContact O-C 3.52Å; S214-A1305 WeakPolarHBondContact O-CA 3.25Å; S214-A1305 PolarHBondContact O-N 2.73Å | ||
| 1306 | G | 36.7 | Very low | 32.9 | Very low | 35 Ų | 35 | 95.4 Ų | 95.4 | 36% | 0.361 | 61% | 0.61 | S | S | . | * | trans | 89.6 | 104.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | T213 S214 S215 | T213-G1306 CarbonylContact C-O 3.03Å; T213-G1306 VanDerWaalsContact CA-O 3.26Å; T213-G1306 WeakPolarHBondContact CA-O 3.3Å; T213-G1306 PolarHBondContact N-O 3.44Å; S214-G1306 PolarHBondContact N-O 3.33Å; S214-G1306 PolarHBondContact O-N 2.75Å; S215-G1306 WeakPolarHBondContact OG-CA 3.3Å; S215-G1306 PolarHBondContact OG-N 2.87Å | ||
| 1307 | Q | 34.9 | Very low | 32.8 | Very low | 162 Ų | 162 | 99.6 Ų | 99.6 | 76% | 0.757 | 63% | 0.632 | S | S | * | * | cis | 84.8 | 143.9 | 42.5 | -141.1 | 177.1 | 45.1 | 0 | 0 | 114.7 | S215 V1309 | S215-Q1307 WeakPolarHBondContact OG-CB 3.46Å; S215-Q1307 PolarHBondContact OG-N 3.06Å; Q1307-V1309 HydrophobicContact CG-CG2 4.38Å | ||
| 1308 | G | 36.5 | Very low | 33.1 | Very low | 69 Ų | 69 | 102.5 Ų | 102.5 | 71% | 0.711 | 64% | 0.642 | S | S | * | * | trans | 126.2 | 97 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1309 | V | 35.5 | Very low | 33.1 | Very low | 100 Ų | 100 | 103.6 Ų | 103.6 | 61% | 0.606 | 65% | 0.651 | S | S | * | * | cis | 99.4 | 120.7 | 24.7 | 179.1 | 0 | 0 | 0 | 0 | 113.1 | S204 Q1307 | S204-V1309 VanDerWaalsContact CB-CG1 3.43Å; S204-V1309 WeakPolarHBondContact OG-CG1 3.39Å; Q1307-V1309 HydrophobicContact CG-CG2 4.38Å | ||
| 1310 | A | 36.3 | Very low | 33.3 | Very low | 70 Ų | 70 | 104.7 Ų | 104.7 | 58% | 0.579 | 66% | 0.661 | S | S | * | * | trans | -151.4 | 164.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S204 | S204-A1310 VanDerWaalsContact CB-N 3.28Å; S204-A1310 WeakPolarHBondContact CB-O 3.26Å; S204-A1310 VanDerWaalsContact OG-C 3.22Å; S204-A1310 PolarHBondContact OG-N 3.21Å; S204-A1310 PolarHBondContact OG-O 3.04Å | ||
| 1311 | T | 34.1 | Very low | 33.3 | Very low | 43 Ų | 43 | 107.2 Ų | 107.2 | 26% | 0.264 | 68% | 0.677 | S | S | . | * | trans | -168.9 | 158.1 | -175.6 | 38.7 | 0 | 0 | 0 | 0 | 116.2 | L203 S204 | L203-T1311 HydrophobicContact CB-CG2 4.09Å; L203-T1311 HydrophobicContact CD2-CG2 3.61Å; L203-T1311 HydrophobicContact CG-CG2 4.44Å; L203-T1311 WeakPolarHBondContact O-CB 3.28Å; L203-T1311 WeakPolarHBondContact O-CG2 3.42Å; L203-T1311 PolarHBondContact O-OG1 2.82Å; S204-T1311 VanDerWaalsContact C-OG1 3.26Å; S204-T1311 VanDerWaalsContact CB-OG1 3.27Å; S204-T1311 WeakPolarHBondContact CB-OG1 3.3Å; S204-T1311 PolarHBondContact O-OG1 3.34Å | ||
| 1312 | A | 34.2 | Very low | 33.6 | Very low | 97 Ų | 97 | 108.4 Ų | 108.4 | 80% | 0.802 | 69% | 0.686 | S | S | * | * | trans | 179.9 | 155.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1313 | T | 34.9 | Very low | 33.8 | Very low | 115 Ų | 115 | 108 Ų | 108 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | cis | -170.7 | 153.8 | -24.6 | -163.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1314 | T | 34.2 | Very low | 34 | Very low | 118 Ų | 118 | 107.8 Ų | 107.8 | 72% | 0.724 | 69% | 0.685 | S | S | * | * | trans | 63.1 | 157.7 | 162.9 | 62.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1315 | M | 29.5 | Very low | 33.9 | Very low | 166 Ų | 166 | 109.5 Ų | 109.5 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | cis | -165.4 | 163 | -12.2 | -111.7 | -74.1 | 171.8 | 0 | 0 | 111.9 | ||||
| 1316 | S | 30.9 | Very low | 33.8 | Very low | 99 Ų | 99 | 112.1 Ų | 112.1 | 69% | 0.692 | 70% | 0.697 | S | S | * | * | trans | 70 | 146.7 | 155 | -121.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 1317 | T | 33.7 | Very low | 33.7 | Very low | 127 Ų | 127 | 115.1 Ų | 115.1 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | cis | -151.4 | 154.9 | -3.6 | -24.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1318 | I | 36.2 | Very low | 33.6 | Very low | 151 Ų | 151 | 113.2 Ų | 113.2 | 77% | 0.774 | 71% | 0.71 | S | S | * | * | trans | -106.8 | 139.3 | 174.1 | -69.3 | 161.4 | 0 | 0 | 0 | 107.8 | ||||
| 1319 | P | 34.5 | Very low | 33.5 | Very low | 116 Ų | 116 | 115 Ų | 115 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | -160.7 | 137.8 | 97.2 | 39.6 | -17.1 | 0 | 0 | 0 | 120.9 | |||||
| 1320 | S | 30.4 | Very low | 33.3 | Very low | 92 Ų | 92 | 116.9 Ų | 116.9 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | 45.5 | 130.5 | 120.8 | -48.3 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1321 | T | 31.8 | Very low | 33.3 | Very low | 136 Ų | 136 | 119.4 Ų | 119.4 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | 69.2 | 166.1 | 140.3 | 58.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1322 | P | 34.1 | Very low | 33.3 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | cis | -129.5 | -172.9 | -1.2 | 41.1 | -23.6 | 0 | 0 | 0 | 116.1 | ||||
| 1323 | I | 34.4 | Very low | 33.4 | Very low | 146 Ų | 146 | 123.5 Ų | 123.5 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -79.5 | 146.3 | 174.8 | -59.9 | 158.9 | 0 | 0 | 0 | 112.4 | I1325 | I1323-I1325 HydrophobicContact CG2-CG1 3.99Š| ||
| 1324 | P | 34.2 | Very low | 33.3 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | -109.5 | 152.7 | 156.4 | 37 | -28.3 | 0 | 0 | 0 | 113.5 | ||||
| 1325 | I | 30.7 | Very low | 33.1 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | -139.1 | 157.7 | -179.9 | -35.3 | 175.3 | 0 | 0 | 0 | 109.2 | I1323 | I1323-I1325 HydrophobicContact CG2-CG1 3.99Š| ||
| 1326 | T | 32 | Very low | 33.3 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | 76.4 | 168.6 | 162.7 | 75.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1327 | P | 35.2 | Very low | 33.4 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | -144.4 | -166.2 | -55 | 42 | -24.4 | 0 | 0 | 0 | 115.2 | |||||
| 1328 | T | 31.6 | Very low | 33.4 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | trans | 71.2 | 154.2 | 154 | 53.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1329 | T | 35.3 | Very low | 33.4 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | cis | -164 | 154.6 | 1.3 | 7.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1330 | N | 31 | Very low | 33.3 | Very low | 141 Ų | 141 | 121.7 Ų | 121.7 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | 65.5 | 152.5 | 150.1 | -60.2 | -15.7 | 0 | 0 | 0 | 119.3 | ||||
| 1331 | T | 37.5 | Very low | 33.7 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | cis | -155.4 | 137.3 | 40 | -49.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1332 | T | 33.3 | Very low | 33.8 | Very low | 100 Ų | 100 | 123 Ų | 123 | 61% | 0.613 | 74% | 0.735 | S | S | * | * | trans | -0.7 | 141.2 | 140.6 | -15.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1333 | T | 35.2 | Very low | 33.7 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | -167.9 | 125.7 | 64.9 | 40.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1334 | H | 34 | Very low | 33.6 | Very low | 152 Ų | 152 | 121.7 Ų | 121.7 | 70% | 0.704 | 74% | 0.736 | S | S | * | * | 85.8 | 116.4 | 84.5 | -106.9 | -86.6 | 0 | 0 | 0 | 117.9 | |||||
| 1335 | T | 30.7 | Very low | 33.5 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 52.9 | 147 | 138.5 | 49.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1336 | A | 33.7 | Very low | 33.6 | Very low | 79 Ų | 79 | 119.1 Ų | 119.1 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | cis | -175.5 | 156 | -7.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1337 | V | 31.9 | Very low | 33.6 | Very low | 126 Ų | 126 | 118.5 Ų | 118.5 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | 64.2 | 142.1 | 136.6 | 169 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1338 | N | 34.4 | Very low | 33.6 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | trans | 90.1 | 104.5 | 160 | -77.9 | -15.7 | 0 | 0 | 0 | 121.9 | ||||
| 1339 | N | 34.8 | Very low | 33.9 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | 80.9 | 105.8 | 116.6 | -61 | -9.5 | 0 | 0 | 0 | 122.6 | |||||
| 1340 | S | 33.5 | Very low | 34.1 | Very low | 114 Ų | 114 | 119.5 Ų | 119.5 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | 93.9 | 148.4 | 124.4 | -59.6 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1341 | P | 39 | Very low | 34.3 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | trans | -116.3 | 147.7 | -153.6 | 38.5 | -25.9 | 0 | 0 | 0 | 114.7 | ||||
| 1342 | T | 34.2 | Very low | 34.1 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | trans | -149.8 | 120.8 | 156.7 | -9.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1343 | V | 32 | Very low | 34.1 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | trans | -2.9 | 131.2 | 151.1 | -161.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1344 | S | 30.4 | Very low | 34.1 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | 154.1 | 124.2 | 123.6 | -67.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1345 | A | 32.6 | Very low | 34.1 | Very low | 85 Ų | 85 | 123.7 Ų | 123.7 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | trans | 61.9 | 122.4 | 136.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 1346 | T | 32.8 | Very low | 34.3 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 50.1 | 136.3 | 133.8 | 61.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1347 | T | 33 | Very low | 34.3 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | -175.6 | 150.9 | 57.8 | -39.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1348 | T | 35.6 | Very low | 34.4 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | trans | 48.4 | 110.2 | 156.8 | 44.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1349 | T | 37 | Very low | 34.4 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | 12.8 | 154.5 | 115.9 | 54.5 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1350 | P | 39.4 | Very low | 34.4 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | cis | -140.1 | -158.2 | -7.1 | 37.3 | -14.5 | 0 | 0 | 0 | 114.9 | ||||
| 1351 | T | 34.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 69% | 0.693 | 80% | 0.795 | S | S | * | * | trans | 77.9 | 96.2 | 154.5 | 37 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1352 | I | 33.3 | Very low | 34.1 | Very low | 144 Ų | 144 | 127.4 Ų | 127.4 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | 46.3 | 105.5 | 113.5 | -58.4 | 169.2 | 0 | 0 | 0 | 117.6 | |||||
| 1353 | N | 34.2 | Very low | 34.1 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | 175.8 | 128.5 | 108.1 | -107.5 | -21.8 | 0 | 0 | 0 | 112.9 | |||||
| 1354 | S | 34.5 | Very low | 34.3 | Very low | 199 Ų | 199 | 126.1 Ų | 126.1 | 100% | 1.392 | 79% | 0.794 | S | S | * | * | trans | -170.1 | 0 | 147.4 | -75.8 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 1,354 of 1,354 residues in 238.2 ms
(Link to these results)