| 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 | 42.2 | Very low | 69.4 | Low | 219 Ų | 219 | 101.4 Ų | 101.4 | 100% | 1.079 | 51% | 0.51 | S | S | * | . | 0 | 150.8 | 0 | -63.3 | 169.2 | -171.3 | 0 | 0 | 108.4 | N3 | M1-N3 PolarHBondContact O-N 2.77Š| |||
| 2 | R | 53.3 | Low | 71.2 | Confident | 169 Ų | 169 | 99.8 Ų | 99.8 | 64% | 0.638 | 51% | 0.513 | S | S | * | . | trans | -71.6 | 124 | 157.3 | -69.8 | -177.7 | -171.8 | 170 | 6.2 | 105.4 | E4 | R2-E4 PolarHBondContact O-N 3.03Š| ||
| 3 | N | 61.4 | Low | 72.7 | Confident | 84 Ų | 84 | 93.8 Ų | 93.8 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | trans | -80.4 | 103 | 172.3 | -173.5 | -2.6 | 0 | 0 | 0 | 106 | M1 L5 L6 | M1-N3 PolarHBondContact O-N 2.77Å; N3-L5 PolarHBondContact O-N 2.85Å; N3-L5 WeakPolarHBondContact OD1-CB 3.3Å; N3-L5 PolarHBondContact OD1-N 2.82Å; N3-L6 HydrophobicContact CB-CD1 4.01Å; N3-L6 HydrophobicContact CB-CG 4.09Å; N3-L6 WeakPolarHBondContact O-CB 3.5Å; N3-L6 PolarHBondContact O-N 3.13Å | ||
| 4 | E | 64.9 | Low | 74.1 | Confident | 15 Ų | 15 | 88 Ų | 88 | 7% | 0.07 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -64 | -22.3 | -172.9 | -57.5 | -66.7 | 144.1 | 0 | 0 | 111.6 | R2 L6 D7 F10 E41 R55 | R2-E4 PolarHBondContact O-N 3.03Å; E4-L6 PolarHBondContact O-N 2.95Å; E4-L6 VanDerWaalsContact O-N 3.11Å; E4-D7 WeakPolarHBondContact O-CB 3.49Å; E4-D7 PolarHBondContact O-N 3.19Å; E4-F10 HydrophobicContact CB-CD2 4Å; E4-F10 HydrophobicContact CB-CE2 4.38Å; E4-F10 HydrophobicContact CB-CG 4.29Å; E4-F10 VanDerWaalsContact O-CB 3.26Å; E4-F10 WeakPolarHBondContact O-CB 3.46Å; E4-E41 HydrophobicContact CB-CG 4.45Å; E4-R55 IonicContact OE1-CZ 2.83Å; E4-R55 IonicContact OE1-NH1 3.27Å; E4-R55 PolarHBondContact OE1-NH1 3.4Å; E4-R55 IonicContact OE1-NH2 2.73Å; E4-R55 PolarHBondContact OE1-NH2 3.43Å; E4-R55 IonicContact OE2-CZ 2.76Å; E4-R55 IonicContact OE2-NH1 2.79Å; E4-R55 PolarHBondContact OE2-NH1 3.25Å; E4-R55 IonicContact OE2-NH2 3.35Å |
| 5 | L | 60.3 | Low | 75.1 | Confident | 106 Ų | 106 | 86.3 Ų | 86.3 | 56% | 0.555 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -57.3 | -19.7 | 167.2 | -69.6 | 163.5 | 0 | 0 | 0 | 114.1 | N3 | N3-L5 PolarHBondContact O-N 2.85Å; N3-L5 WeakPolarHBondContact OD1-CB 3.3Å; N3-L5 PolarHBondContact OD1-N 2.82Å |
| 6 | L | 62.8 | Low | 76.1 | Confident | 139 Ų | 139 | 88.1 Ų | 88.1 | 73% | 0.728 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -91.3 | -8.6 | 174.5 | -59.3 | 177.7 | 0 | 0 | 0 | 113.3 | N3 E4 P8 | N3-L6 HydrophobicContact CB-CD1 4.01Å; N3-L6 HydrophobicContact CB-CG 4.09Å; N3-L6 WeakPolarHBondContact O-CB 3.5Å; N3-L6 PolarHBondContact O-N 3.13Å; E4-L6 PolarHBondContact O-N 2.95Å; E4-L6 VanDerWaalsContact O-N 3.11Å; L6-P8 WeakPolarHBondContact O-CD 3.3Å |
| 7 | D | 75.3 | Confident | 76.9 | Confident | 59 Ų | 59 | 83.9 Ų | 83.9 | 32% | 0.316 | 42% | 0.423 | S | S | . | . | trans | -82.5 | 114.8 | 171.9 | -171.4 | -19.8 | 0 | 0 | 0 | 109.3 | E4 A9 F10 | E4-D7 WeakPolarHBondContact O-CB 3.49Å; E4-D7 PolarHBondContact O-N 3.19Å; D7-A9 PolarHBondContact O-N 3.24Å; D7-A9 VanDerWaalsContact OD1-CB 3.29Å; D7-A9 WeakPolarHBondContact OD1-CB 3.46Å; D7-A9 PolarHBondContact OD1-N 3.28Å; D7-F10 HydrophobicContact CB-CB 4.36Å; D7-F10 WeakPolarHBondContact O-CB 3.36Å; D7-F10 PolarHBondContact O-N 3.3Å | ||
| 8 | P | 80.6 | Confident | 77.6 | Confident | 116 Ų | 116 | 80.3 Ų | 80.3 | 75% | 0.753 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.2 | 178.3 | -22.1 | 34.6 | 0 | 0 | 0 | 114 | L6 P12 | L6-P8 WeakPolarHBondContact O-CD 3.3Å; P8-P12 VanDerWaalsContact O-CD 3.31Å; P8-P12 WeakPolarHBondContact O-CD 3.25Å |
| 9 | A | 85.3 | Confident | 78.2 | Confident | 48 Ų | 48 | 83.6 Ų | 83.6 | 40% | 0.397 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D7 P12 F13 L52 | D7-A9 PolarHBondContact O-N 3.24Å; D7-A9 VanDerWaalsContact OD1-CB 3.29Å; D7-A9 WeakPolarHBondContact OD1-CB 3.46Å; D7-A9 PolarHBondContact OD1-N 3.28Å; A9-P12 WeakPolarHBondContact O-CD 3.46Å; A9-F13 PolarHBondContact O-N 3.36Å; A9-L52 HydrophobicContact CB-CD1 4.36Å |
| 10 | F | 89.3 | Confident | 78.7 | Confident | 6 Ų | 6 | 83.2 Ų | 83.2 | 3% | 0.026 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.3 | -50.8 | -177.6 | 179.8 | -100.8 | 0 | 0 | 0 | 112.3 | E4 D7 F13 F14 Q37 L40 E41 L44 L52 | E4-F10 HydrophobicContact CB-CD2 4Å; E4-F10 HydrophobicContact CB-CE2 4.38Å; E4-F10 HydrophobicContact CB-CG 4.29Å; E4-F10 VanDerWaalsContact O-CB 3.26Å; E4-F10 WeakPolarHBondContact O-CB 3.46Å; D7-F10 HydrophobicContact CB-CB 4.36Å; D7-F10 WeakPolarHBondContact O-CB 3.36Å; D7-F10 PolarHBondContact O-N 3.3Å; F10-F13 CarbonylContact O-C 3.51Å; F10-F13 WeakPolarHBondContact O-CA 3.42Å; F10-F13 WeakPolarHBondContact O-CB 3.39Å; F10-F13 PolarHBondContact O-N 3.34Å; F10-F14 HydrophobicContact CE1-CB 4.21Å; F10-F14 HydrophobicContact CZ-CB 4.35Å; F10-F14 WeakPolarHBondContact O-CB 3.49Å; F10-F14 PolarHBondContact O-N 3.32Å; F10-Q37 HydrophobicContact CE1-CG 3.81Å; F10-Q37 HydrophobicContact CZ-CG 3.79Å; F10-L40 HydrophobicContact CE2-CB 4.45Å; F10-E41 HydrophobicContact CE1-CG 4.47Å; F10-E41 HydrophobicContact CE2-CG 3.93Å; F10-E41 HydrophobicContact CZ-CG 3.64Å; F10-L44 HydrophobicContact CD2-CD1 3.82Å; F10-L44 HydrophobicContact CE2-CD1 3.75Å; F10-L52 HydrophobicContact CB-CD1 3.93Å; F10-L52 HydrophobicContact CD2-CD1 4.19Å |
| 11 | Y | 87.6 | Confident | 79.1 | Confident | 154 Ų | 154 | 84 Ų | 84 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -59.9 | -43.2 | -177.5 | -176.1 | -94.6 | 0 | 0 | 0 | 113.8 | F13 F14 M15 | Y11-F13 VanDerWaalsContact C-N 3.32Å; Y11-F13 PolarHBondContact O-N 3.41Å; Y11-F14 PolarHBondContact O-N 2.91Å; Y11-M15 HydrophobicContact CD1-CG 4.3Å; Y11-M15 HydrophobicContact CE1-CE 4.36Å; Y11-M15 HydrophobicContact CE1-CG 4Å; Y11-M15 HydrophobicContact CE2-CE 3.76Å; Y11-M15 HydrophobicContact CE2-CG 4.48Å; Y11-M15 WeakPolarHBondContact O-CB 3.39Å; Y11-M15 WeakPolarHBondContact O-CG 3.11Å; Y11-M15 PolarHBondContact O-N 3.37Å; Y11-M15 WeakPolarHBondContact OH-CE 3.3Å |
| 12 | P | 90.7 | Very high | 81.1 | Confident | 83 Ų | 83 | 75.6 Ų | 75.6 | 54% | 0.539 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.4 | -36.7 | 169.9 | -26 | 35.1 | 0 | 0 | 0 | 114.4 | P8 A9 K16 | P8-P12 VanDerWaalsContact O-CD 3.31Å; P8-P12 WeakPolarHBondContact O-CD 3.25Å; A9-P12 WeakPolarHBondContact O-CD 3.46Å; P12-K16 PolarHBondContact O-N 3.25Å; P12-K16 VanDerWaalsContact O-N 3.11Å |
| 13 | F | 91.6 | Very high | 81.6 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 9% | 0.092 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71.2 | -46.1 | 177.3 | 175.3 | -93.7 | 0 | 0 | 0 | 112.1 | A9 F10 Y11 M15 K16 K17 L40 L52 P53 F56 | A9-F13 PolarHBondContact O-N 3.36Å; F10-F13 CarbonylContact O-C 3.51Å; F10-F13 WeakPolarHBondContact O-CA 3.42Å; F10-F13 WeakPolarHBondContact O-CB 3.39Å; F10-F13 PolarHBondContact O-N 3.34Å; Y11-F13 VanDerWaalsContact C-N 3.32Å; Y11-F13 PolarHBondContact O-N 3.41Å; F13-M15 PolarHBondContact O-N 3.3Å; F13-K16 WeakPolarHBondContact O-CB 3.49Å; F13-K16 PolarHBondContact O-N 2.66Å; F13-K16 VanDerWaalsContact O-N 3.17Å; F13-K17 HydrophobicContact CD1-CG 4.36Å; F13-K17 HydrophobicContact CE1-CG 3.93Å; F13-K17 HydrophobicContact CZ-CG 4.07Å; F13-K17 PolarHBondContact O-N 2.81Å; F13-L40 HydrophobicContact CD1-CD1 4.4Å; F13-L40 HydrophobicContact CE1-CD1 4.2Å; F13-L40 HydrophobicContact CE1-CD2 4.31Å; F13-L52 HydrophobicContact CB-CD2 3.74Å; F13-L52 HydrophobicContact CD1-CD2 3.3Å; F13-L52 HydrophobicContact CD2-CD2 3.67Å; F13-L52 HydrophobicContact CE1-CD2 3.7Å; F13-L52 HydrophobicContact CE2-CD2 4.04Å; F13-L52 HydrophobicContact CG-CD2 3.28Å; F13-L52 HydrophobicContact CZ-CD2 4.05Å; F13-P53 HydrophobicContact CD2-CG 4.22Å; F13-P53 HydrophobicContact CE2-CB 4.38Å; F13-P53 HydrophobicContact CE2-CG 4.29Å; F13-F56 HydrophobicContact CE1-CD2 4.12Å; F13-F56 HydrophobicContact CE1-CG 4.26Å; F13-F56 HydrophobicContact CZ-CB 3.85Å; F13-F56 AromaticContact CZ-CD1 3.92Å; F13-F56 HydrophobicContact CZ-CD1 3.92Å; F13-F56 AromaticContact CZ-CD2 3.95Å; F13-F56 HydrophobicContact CZ-CD2 3.95Å; F13-F56 HydrophobicContact CZ-CE1 4.46Å; F13-F56 AromaticContact CZ-CG 3.63Å; F13-F56 HydrophobicContact CZ-CG 3.63Å |
| 14 | F | 91.4 | Very high | 81.8 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 6% | 0.057 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.8 | -47.8 | 174 | 170.8 | -131 | 0 | 0 | 0 | 111.2 | F10 Y11 K16 K17 L18 A33 I36 Q37 L40 | F10-F14 HydrophobicContact CE1-CB 4.21Å; F10-F14 HydrophobicContact CZ-CB 4.35Å; F10-F14 WeakPolarHBondContact O-CB 3.49Å; F10-F14 PolarHBondContact O-N 3.32Å; Y11-F14 PolarHBondContact O-N 2.91Å; F14-K16 VanDerWaalsContact C-N 3.31Å; F14-K16 PolarHBondContact O-N 3.14Å; F14-K17 CarbonylContact O-C 3.47Å; F14-K17 WeakPolarHBondContact O-CA 3.49Å; F14-K17 WeakPolarHBondContact O-CB 3.44Å; F14-K17 PolarHBondContact O-N 2.96Å; F14-L18 HydrophobicContact CD1-CD1 4.4Å; F14-L18 HydrophobicContact CD2-CD1 4.31Å; F14-L18 HydrophobicContact CD2-CD2 4.39Å; F14-L18 HydrophobicContact CD2-CG 4Å; F14-L18 HydrophobicContact CE1-CD1 3.91Å; F14-L18 HydrophobicContact CE2-CD1 3.81Å; F14-L18 HydrophobicContact CE2-CD2 3.69Å; F14-L18 HydrophobicContact CE2-CG 3.66Å; F14-L18 HydrophobicContact CZ-CD1 3.6Å; F14-L18 HydrophobicContact CZ-CD2 4.12Å; F14-L18 HydrophobicContact CZ-CG 4.01Å; F14-L18 PolarHBondContact O-N 2.95Å; F14-A33 WeakPolarHBondContact CE2-O 3.38Å; F14-A33 WeakPolarHBondContact CZ-O 3.25Å; F14-I36 HydrophobicContact CE2-CG2 4.28Å; F14-Q37 HydrophobicContact CD1-CG 4.5Å; F14-Q37 HydrophobicContact CD2-CB 4.25Å; F14-Q37 HydrophobicContact CD2-CG 4.28Å; F14-Q37 HydrophobicContact CE1-CB 4.43Å; F14-Q37 HydrophobicContact CE1-CG 4.28Å; F14-Q37 HydrophobicContact CE2-CB 3.62Å; F14-Q37 HydrophobicContact CE2-CG 4.04Å; F14-Q37 HydrophobicContact CG-CG 4.48Å; F14-Q37 HydrophobicContact CZ-CB 3.71Å; F14-Q37 HydrophobicContact CZ-CG 4.04Å; F14-L40 HydrophobicContact CB-CD1 4.38Å; F14-L40 HydrophobicContact CD2-CD1 3.79Å |
| 15 | M | 89.4 | Confident | 81.9 | Confident | 63 Ų | 63 | 75.2 Ų | 75.2 | 31% | 0.31 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.6 | -36.7 | 176.3 | -78.5 | -66.7 | 168.3 | 0 | 0 | 113.1 | Y11 F13 L18 Q19 | Y11-M15 HydrophobicContact CD1-CG 4.3Å; Y11-M15 HydrophobicContact CE1-CE 4.36Å; Y11-M15 HydrophobicContact CE1-CG 4Å; Y11-M15 HydrophobicContact CE2-CE 3.76Å; Y11-M15 HydrophobicContact CE2-CG 4.48Å; Y11-M15 WeakPolarHBondContact O-CB 3.39Å; Y11-M15 WeakPolarHBondContact O-CG 3.11Å; Y11-M15 PolarHBondContact O-N 3.37Å; Y11-M15 WeakPolarHBondContact OH-CE 3.3Å; F13-M15 PolarHBondContact O-N 3.3Å; M15-L18 HydrophobicContact CE-CD1 4.38Å; M15-L18 HydrophobicContact SD-CD1 4.11Å; M15-Q19 VanDerWaalsContact O-CG 3.27Å; M15-Q19 WeakPolarHBondContact O-CG 3.3Å; M15-Q19 PolarHBondContact O-N 3.37Å; M15-Q19 VanDerWaalsContact O-N 3.09Å |
| 16 | K | 91 | Very high | 82.4 | Confident | 114 Ų | 114 | 75.7 Ų | 75.7 | 50% | 0.496 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 171.4 | -174.2 | -178.6 | -179.6 | -90.1 | 0 | 111.5 | P12 F13 F14 Q19 E20 | P12-K16 PolarHBondContact O-N 3.25Å; P12-K16 VanDerWaalsContact O-N 3.11Å; F13-K16 WeakPolarHBondContact O-CB 3.49Å; F13-K16 PolarHBondContact O-N 2.66Å; F13-K16 VanDerWaalsContact O-N 3.17Å; F14-K16 VanDerWaalsContact C-N 3.31Å; F14-K16 PolarHBondContact O-N 3.14Å; K16-Q19 PolarHBondContact O-N 3.32Å; K16-E20 WeakPolarHBondContact CE-OE1 3.36Å; K16-E20 IonicContact NZ-OE1 2.75Å; K16-E20 PolarHBondContact NZ-OE1 3.42Å; K16-E20 WeakPolarHBondContact O-CG 3.31Å; K16-E20 PolarHBondContact O-N 3.4Å |
| 17 | K | 90.8 | Very high | 83.3 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 8% | 0.078 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 177.9 | -81 | -75.9 | 168 | -157.7 | 0 | 113.1 | F13 F14 Q19 E20 R21 L40 D106 Y107 | F13-K17 HydrophobicContact CD1-CG 4.36Å; F13-K17 HydrophobicContact CE1-CG 3.93Å; F13-K17 HydrophobicContact CZ-CG 4.07Å; F13-K17 PolarHBondContact O-N 2.81Å; F14-K17 CarbonylContact O-C 3.47Å; F14-K17 WeakPolarHBondContact O-CA 3.49Å; F14-K17 WeakPolarHBondContact O-CB 3.44Å; F14-K17 PolarHBondContact O-N 2.96Å; K17-Q19 VanDerWaalsContact C-N 3.34Å; K17-Q19 PolarHBondContact O-N 3.3Å; K17-E20 WeakPolarHBondContact CD-OE2 3.49Å; K17-E20 WeakPolarHBondContact CE-OE2 3.5Å; K17-E20 IonicContact NZ-OE2 3.96Å; K17-E20 PolarHBondContact NZ-OE2 3.34Å; K17-E20 WeakPolarHBondContact O-CB 3.24Å; K17-E20 PolarHBondContact O-N 3.02Å; K17-R21 PolarHBondContact O-N 3.28Å; K17-L40 HydrophobicContact CB-CD1 3.7Å; K17-L40 HydrophobicContact CB-CD2 4.33Å; K17-L40 HydrophobicContact CD-CD2 4.05Å; K17-L40 HydrophobicContact CG-CD1 3.89Å; K17-L40 HydrophobicContact CG-CD2 3.92Å; K17-D106 IonicContact NZ-OD1 2.66Å; K17-Y107 HydrophobicContact CD-CE1 4.08Å |
| 18 | L | 89.6 | Confident | 83.7 | Confident | 19 Ų | 19 | 73 Ų | 73 | 10% | 0.099 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 171.5 | -68.1 | -178.7 | 0 | 0 | 0 | 111.6 | F14 M15 E20 R21 L22 M28 A33 I36 | F14-L18 HydrophobicContact CD1-CD1 4.4Å; F14-L18 HydrophobicContact CD2-CD1 4.31Å; F14-L18 HydrophobicContact CD2-CD2 4.39Å; F14-L18 HydrophobicContact CD2-CG 4Å; F14-L18 HydrophobicContact CE1-CD1 3.91Å; F14-L18 HydrophobicContact CE2-CD1 3.81Å; F14-L18 HydrophobicContact CE2-CD2 3.69Å; F14-L18 HydrophobicContact CE2-CG 3.66Å; F14-L18 HydrophobicContact CZ-CD1 3.6Å; F14-L18 HydrophobicContact CZ-CD2 4.12Å; F14-L18 HydrophobicContact CZ-CG 4.01Å; F14-L18 PolarHBondContact O-N 2.95Å; M15-L18 HydrophobicContact CE-CD1 4.38Å; M15-L18 HydrophobicContact SD-CD1 4.11Å; L18-E20 VanDerWaalsContact C-N 3.35Å; L18-E20 PolarHBondContact O-N 2.8Å; L18-R21 PolarHBondContact O-N 2.71Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 WeakPolarHBondContact O-CG 3.31Å; L18-L22 PolarHBondContact O-N 3.11Å; L18-M28 HydrophobicContact CD2-CE 4.17Å; L18-M28 HydrophobicContact CD2-SD 3.74Å; L18-A33 HydrophobicContact CD1-CB 4.44Å; L18-A33 HydrophobicContact CD2-CB 4.17Å; L18-I36 HydrophobicContact CD2-CB 4.2Å; L18-I36 HydrophobicContact CD2-CD1 3.96Å; L18-I36 HydrophobicContact CD2-CG2 4Å |
| 19 | Q | 87.7 | Confident | 84 | Confident | 142 Ų | 142 | 70.8 Ų | 70.8 | 66% | 0.664 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64 | -37.3 | 175.8 | -72.7 | 172.5 | 7.8 | 0 | 0 | 112.7 | M15 K16 K17 | M15-Q19 VanDerWaalsContact O-CG 3.27Å; M15-Q19 WeakPolarHBondContact O-CG 3.3Å; M15-Q19 PolarHBondContact O-N 3.37Å; M15-Q19 VanDerWaalsContact O-N 3.09Å; K16-Q19 PolarHBondContact O-N 3.32Å; K17-Q19 VanDerWaalsContact C-N 3.34Å; K17-Q19 PolarHBondContact O-N 3.3Å |
| 20 | E | 89 | Confident | 83.9 | Confident | 75 Ų | 75 | 74.5 Ų | 74.5 | 35% | 0.35 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 172.4 | -73.3 | 169.1 | -169.1 | 0 | 0 | 111.4 | K16 K17 L18 Y107 | K16-E20 WeakPolarHBondContact CE-OE1 3.36Å; K16-E20 IonicContact NZ-OE1 2.75Å; K16-E20 PolarHBondContact NZ-OE1 3.42Å; K16-E20 WeakPolarHBondContact O-CG 3.31Å; K16-E20 PolarHBondContact O-N 3.4Å; K17-E20 WeakPolarHBondContact CD-OE2 3.49Å; K17-E20 WeakPolarHBondContact CE-OE2 3.5Å; K17-E20 IonicContact NZ-OE2 3.96Å; K17-E20 PolarHBondContact NZ-OE2 3.34Å; K17-E20 WeakPolarHBondContact O-CB 3.24Å; K17-E20 PolarHBondContact O-N 3.02Å; L18-E20 VanDerWaalsContact C-N 3.35Å; L18-E20 PolarHBondContact O-N 2.8Å; E20-Y107 WeakPolarHBondContact CB-OH 3.48Å |
| 21 | R | 87.3 | Confident | 83.6 | Confident | 100 Ų | 100 | 78 Ų | 78 | 38% | 0.377 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -73.1 | -30.3 | -178.2 | -166.6 | 50.9 | 162 | 114.8 | -13.2 | 114.6 | K17 L18 S23 M28 I36 D104 Y107 | K17-R21 PolarHBondContact O-N 3.28Å; L18-R21 PolarHBondContact O-N 2.71Å; R21-S23 VanDerWaalsContact C-N 3.25Å; R21-S23 PolarHBondContact O-N 2.83Å; R21-M28 HydrophobicContact CB-CE 4.32Å; R21-M28 HydrophobicContact CG-CE 4.27Å; R21-I36 HydrophobicContact CB-CD1 4.36Å; R21-I36 HydrophobicContact CG-CD1 3.96Å; R21-D104 IonicContact NH2-OD2 3.75Å; R21-D104 PolarHBondContact NH2-OD2 3.07Å; R21-Y107 HydrophobicContact CB-CD1 3.88Å; R21-Y107 HydrophobicContact CB-CE1 3.64Å; R21-Y107 HydrophobicContact CB-CG 4.49Å; R21-Y107 HydrophobicContact CG-CD1 3.93Å; R21-Y107 HydrophobicContact CG-CD2 4.45Å; R21-Y107 HydrophobicContact CG-CE1 4.16Å; R21-Y107 HydrophobicContact CG-CG 4.09Å |
| 22 | L | 83.3 | Confident | 83.6 | Confident | 44 Ų | 44 | 74.1 Ų | 74.1 | 23% | 0.23 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.1 | -26.9 | -175.5 | -87.6 | 166.8 | 0 | 0 | 0 | 113.9 | L18 G24 S25 M28 | L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 WeakPolarHBondContact O-CG 3.31Å; L18-L22 PolarHBondContact O-N 3.11Å; L22-G24 PolarHBondContact O-N 3.35Å; L22-S25 WeakPolarHBondContact O-CB 3.29Å; L22-S25 PolarHBondContact O-N 3.05Å; L22-M28 HydrophobicContact CD2-CB 4.05Å; L22-M28 HydrophobicContact CD2-CE 4.27Å; L22-M28 HydrophobicContact CG-CE 4.19Å |
| 23 | S | 64.6 | Low | 83.4 | Confident | 110 Ų | 110 | 71.2 Ų | 71.2 | 77% | 0.769 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.5 | 33 | 168.7 | 78.8 | 0 | 0 | 0 | 0 | 117.7 | R21 | R21-S23 VanDerWaalsContact C-N 3.25Å; R21-S23 PolarHBondContact O-N 2.83Å |
| 24 | G | 64.3 | Low | 83.3 | Confident | 81 Ų | 81 | 75 Ų | 75 | 84% | 0.835 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.8 | -15.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L22 | L22-G24 PolarHBondContact O-N 3.35Š|
| 25 | S | 67.7 | Low | 83.2 | Confident | 68 Ų | 68 | 79.7 Ų | 79.7 | 48% | 0.476 | 44% | 0.44 | S | S | . | . | trans | -71.1 | 149.2 | 163.2 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | L22 V27 | L22-S25 WeakPolarHBondContact O-CB 3.29Å; L22-S25 PolarHBondContact O-N 3.05Å; S25-V27 PolarHBondContact OG-N 3.07Å; S25-V27 PolarHBondContact OG-O 2.96Å | ||
| 26 | S | 72 | Confident | 83.3 | Confident | 116 Ų | 116 | 77 Ų | 77 | 81% | 0.811 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -102.2 | -4.5 | 172.1 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 27 | V | 81.1 | Confident | 83.3 | Confident | 108 Ų | 108 | 73.8 Ų | 73.8 | 66% | 0.655 | 41% | 0.414 | S | S | * | . | trans | -141.5 | 142.4 | -176.3 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | S25 | S25-V27 PolarHBondContact OG-N 3.07Å; S25-V27 PolarHBondContact OG-O 2.96Å | ||
| 28 | M | 83 | Confident | 83.4 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 17% | 0.172 | 44% | 0.436 | C | S | . | . | trans | -128.1 | 138.7 | 170.9 | -174.9 | 179.4 | -74.8 | 0 | 0 | 108.3 | L18 R21 L22 Q32 A33 I36 | L18-M28 HydrophobicContact CD2-CE 4.17Å; L18-M28 HydrophobicContact CD2-SD 3.74Å; R21-M28 HydrophobicContact CB-CE 4.32Å; R21-M28 HydrophobicContact CG-CE 4.27Å; L22-M28 HydrophobicContact CD2-CB 4.05Å; L22-M28 HydrophobicContact CD2-CE 4.27Å; L22-M28 HydrophobicContact CG-CE 4.19Å; M28-Q32 HydrophobicContact CG-CB 3.85Å; M28-Q32 HydrophobicContact CG-CG 3.95Å; M28-Q32 HydrophobicContact SD-CB 4.28Å; M28-Q32 HydrophobicContact SD-CG 4.01Å; M28-A33 HydrophobicContact SD-CB 3.92Å; M28-I36 HydrophobicContact CE-CD1 3.64Å; M28-I36 HydrophobicContact SD-CD1 3.72Å | ||
| 29 | P | 86.5 | Confident | 83.6 | Confident | 68 Ų | 68 | 77.6 Ų | 77.6 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | trans | -56.4 | 147.9 | 167.8 | -24.6 | 35.9 | 0 | 0 | 0 | 112.1 | D31 Q32 A33 | P29-D31 WeakPolarHBondContact CB-OD1 3.33Å; P29-Q32 HydrophobicContact CB-CB 4.25Å; P29-Q32 PolarHBondContact O-N 3.44Å; P29-A33 PolarHBondContact O-N 3.18Å; P29-A33 VanDerWaalsContact O-N 3.1Å | ||
| 30 | I | 83.6 | Confident | 83.9 | Confident | 127 Ų | 127 | 70.8 Ų | 70.8 | 65% | 0.651 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | -175.7 | -65.5 | 175.6 | 0 | 0 | 0 | 110.6 | Q32 A33 E34 | I30-Q32 VanDerWaalsContact C-N 3.26Å; I30-Q32 PolarHBondContact O-N 2.92Å; I30-A33 WeakPolarHBondContact O-CB 3.4Å; I30-A33 PolarHBondContact O-N 2.99Å; I30-E34 HydrophobicContact CG2-CG 4.34Å; I30-E34 WeakPolarHBondContact CG2-OE1 3.43Å; I30-E34 WeakPolarHBondContact O-CG 3.31Å; I30-E34 PolarHBondContact O-N 3Å |
| 31 | D | 83.9 | Confident | 84.1 | Confident | 78 Ų | 78 | 69.7 Ų | 69.7 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.5 | -33.5 | 175.3 | 63.8 | -71 | 0 | 0 | 0 | 112.9 | P29 R35 | P29-D31 WeakPolarHBondContact CB-OD1 3.33Å; D31-R35 WeakPolarHBondContact O-CB 3.23Å; D31-R35 WeakPolarHBondContact O-CG 3.21Å; D31-R35 PolarHBondContact O-N 3.1Å; D31-R35 PolarHBondContact O-NE 3.12Å; D31-R35 IonicContact OD2-CZ 3.51Å; D31-R35 IonicContact OD2-NE 2.74Å; D31-R35 IonicContact OD2-NH2 3.82Å; D31-R35 PolarHBondContact OD2-NH2 3.28Å |
| 32 | Q | 86.9 | Confident | 84.5 | Confident | 74 Ų | 74 | 65.2 Ų | 65.2 | 35% | 0.346 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.5 | -38.4 | 174.8 | -173.8 | 177.5 | 25.3 | 0 | 0 | 111.2 | M28 P29 I30 E34 I36 | M28-Q32 HydrophobicContact CG-CB 3.85Å; M28-Q32 HydrophobicContact CG-CG 3.95Å; M28-Q32 HydrophobicContact SD-CB 4.28Å; M28-Q32 HydrophobicContact SD-CG 4.01Å; P29-Q32 HydrophobicContact CB-CB 4.25Å; P29-Q32 PolarHBondContact O-N 3.44Å; I30-Q32 VanDerWaalsContact C-N 3.26Å; I30-Q32 PolarHBondContact O-N 2.92Å; Q32-E34 VanDerWaalsContact C-N 3.35Å; Q32-I36 HydrophobicContact CG-CD1 4.42Å; Q32-I36 WeakPolarHBondContact O-CG1 3.44Å; Q32-I36 PolarHBondContact O-N 2.85Å; Q32-I36 VanDerWaalsContact O-N 3.07Å |
| 33 | A | 87.7 | Confident | 85.1 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 17% | 0.174 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.5 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F14 L18 M28 P29 I30 I36 Q37 | F14-A33 WeakPolarHBondContact CE2-O 3.38Å; F14-A33 WeakPolarHBondContact CZ-O 3.25Å; L18-A33 HydrophobicContact CD1-CB 4.44Å; L18-A33 HydrophobicContact CD2-CB 4.17Å; M28-A33 HydrophobicContact SD-CB 3.92Å; P29-A33 PolarHBondContact O-N 3.18Å; P29-A33 VanDerWaalsContact O-N 3.1Å; I30-A33 WeakPolarHBondContact O-CB 3.4Å; I30-A33 PolarHBondContact O-N 2.99Å; A33-I36 PolarHBondContact O-N 3.33Å; A33-Q37 PolarHBondContact O-N 2.87Å |
| 34 | E | 88 | Confident | 86.5 | Confident | 102 Ų | 102 | 57.9 Ų | 57.9 | 48% | 0.477 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 175.2 | -73 | 171.4 | 173.9 | 0 | 0 | 111.9 | I30 Q32 I36 Q37 Q38 | I30-E34 HydrophobicContact CG2-CG 4.34Å; I30-E34 WeakPolarHBondContact CG2-OE1 3.43Å; I30-E34 WeakPolarHBondContact O-CG 3.31Å; I30-E34 PolarHBondContact O-N 3Å; Q32-E34 VanDerWaalsContact C-N 3.35Å; E34-I36 VanDerWaalsContact C-N 3.34Å; E34-I36 PolarHBondContact O-N 3.05Å; E34-Q37 WeakPolarHBondContact O-CB 3.44Å; E34-Q37 PolarHBondContact O-N 2.84Å; E34-Q37 VanDerWaalsContact O-N 3.09Å; E34-Q38 WeakPolarHBondContact O-CG 3.5Å; E34-Q38 PolarHBondContact O-N 2.98Å |
| 35 | R | 89.1 | Confident | 87.9 | Confident | 111 Ų | 111 | 59.5 Ų | 59.5 | 42% | 0.419 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 173.5 | -78.3 | -177 | -80.8 | 175.4 | -12.7 | 113.2 | D31 Q38 S39 E111 | D31-R35 WeakPolarHBondContact O-CB 3.23Å; D31-R35 WeakPolarHBondContact O-CG 3.21Å; D31-R35 PolarHBondContact O-N 3.1Å; D31-R35 PolarHBondContact O-NE 3.12Å; D31-R35 IonicContact OD2-CZ 3.51Å; D31-R35 IonicContact OD2-NE 2.74Å; D31-R35 IonicContact OD2-NH2 3.82Å; D31-R35 PolarHBondContact OD2-NH2 3.28Å; R35-Q38 PolarHBondContact O-N 2.9Å; R35-S39 WeakPolarHBondContact O-CB 3.38Å; R35-S39 PolarHBondContact O-N 2.71Å; R35-S39 PolarHBondContact O-OG 2.99Å; R35-S39 VanDerWaalsContact O-OG 3.06Å; R35-E111 WeakPolarHBondContact CD-OE1 3.4Å |
| 36 | I | 92.4 | Very high | 89.1 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 172.6 | -68.2 | 169.7 | 0 | 0 | 0 | 110.5 | F14 L18 R21 M28 Q32 A33 E34 Q38 S39 L40 Y107 | F14-I36 HydrophobicContact CE2-CG2 4.28Å; L18-I36 HydrophobicContact CD2-CB 4.2Å; L18-I36 HydrophobicContact CD2-CD1 3.96Å; L18-I36 HydrophobicContact CD2-CG2 4Å; R21-I36 HydrophobicContact CB-CD1 4.36Å; R21-I36 HydrophobicContact CG-CD1 3.96Å; M28-I36 HydrophobicContact CE-CD1 3.64Å; M28-I36 HydrophobicContact SD-CD1 3.72Å; Q32-I36 HydrophobicContact CG-CD1 4.42Å; Q32-I36 WeakPolarHBondContact O-CG1 3.44Å; Q32-I36 PolarHBondContact O-N 2.85Å; Q32-I36 VanDerWaalsContact O-N 3.07Å; A33-I36 PolarHBondContact O-N 3.33Å; E34-I36 VanDerWaalsContact C-N 3.34Å; E34-I36 PolarHBondContact O-N 3.05Å; I36-Q38 PolarHBondContact O-N 3.09Å; I36-S39 PolarHBondContact O-N 3.44Å; I36-L40 HydrophobicContact CG2-CD1 4.33Å; I36-L40 HydrophobicContact CG2-CG 4.3Å; I36-L40 WeakPolarHBondContact O-CG 3.22Å; I36-L40 PolarHBondContact O-N 2.96Å; I36-Y107 HydrophobicContact CD1-CD1 4.49Å; I36-Y107 HydrophobicContact CG2-CD1 4.13Å |
| 37 | Q | 91.7 | Very high | 90.1 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 22% | 0.22 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 178.5 | -163.3 | -168.1 | -60.2 | 0 | 0 | 111.5 | F10 F14 A33 E34 S39 L40 E41 | F10-Q37 HydrophobicContact CE1-CG 3.81Å; F10-Q37 HydrophobicContact CZ-CG 3.79Å; F14-Q37 HydrophobicContact CD1-CG 4.5Å; F14-Q37 HydrophobicContact CD2-CB 4.25Å; F14-Q37 HydrophobicContact CD2-CG 4.28Å; F14-Q37 HydrophobicContact CE1-CB 4.43Å; F14-Q37 HydrophobicContact CE1-CG 4.28Å; F14-Q37 HydrophobicContact CE2-CB 3.62Å; F14-Q37 HydrophobicContact CE2-CG 4.04Å; F14-Q37 HydrophobicContact CG-CG 4.48Å; F14-Q37 HydrophobicContact CZ-CB 3.71Å; F14-Q37 HydrophobicContact CZ-CG 4.04Å; A33-Q37 PolarHBondContact O-N 2.87Å; E34-Q37 WeakPolarHBondContact O-CB 3.44Å; E34-Q37 PolarHBondContact O-N 2.84Å; E34-Q37 VanDerWaalsContact O-N 3.09Å; Q37-S39 VanDerWaalsContact C-N 3.3Å; Q37-S39 PolarHBondContact O-N 3.27Å; Q37-L40 PolarHBondContact O-N 2.91Å; Q37-E41 PolarHBondContact NE2-OE1 3.36Å; Q37-E41 WeakPolarHBondContact O-CG 3.35Å; Q37-E41 PolarHBondContact O-N 3.26Å |
| 38 | Q | 91.7 | Very high | 90.6 | Very high | 114 Ų | 114 | 48.7 Ų | 48.7 | 53% | 0.533 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.8 | -42.7 | 176.7 | -69.2 | 171.7 | -1.2 | 0 | 0 | 111.6 | E34 R35 I36 E41 F42 A110 | E34-Q38 WeakPolarHBondContact O-CG 3.5Å; E34-Q38 PolarHBondContact O-N 2.98Å; R35-Q38 PolarHBondContact O-N 2.9Å; I36-Q38 PolarHBondContact O-N 3.09Å; Q38-E41 PolarHBondContact O-N 3.38Å; Q38-F42 WeakPolarHBondContact O-CB 3.42Å; Q38-F42 PolarHBondContact O-N 3.2Å; Q38-A110 HydrophobicContact CB-CB 4.4Å |
| 39 | S | 94.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 176 | -67.6 | 0 | 0 | 0 | 0 | 112.9 | R35 I36 Q37 F42 V43 Y107 G108 A109 A110 | R35-S39 WeakPolarHBondContact O-CB 3.38Å; R35-S39 PolarHBondContact O-N 2.71Å; R35-S39 PolarHBondContact O-OG 2.99Å; R35-S39 VanDerWaalsContact O-OG 3.06Å; I36-S39 PolarHBondContact O-N 3.44Å; Q37-S39 VanDerWaalsContact C-N 3.3Å; Q37-S39 PolarHBondContact O-N 3.27Å; S39-F42 PolarHBondContact O-N 2.95Å; S39-V43 WeakPolarHBondContact O-CG2 3.39Å; S39-V43 PolarHBondContact O-N 2.96Å; S39-Y107 VanDerWaalsContact CB-O 3.26Å; S39-Y107 WeakPolarHBondContact CB-O 3.43Å; S39-Y107 PolarHBondContact OG-O 3.14Å; S39-G108 WeakPolarHBondContact OG-CA 3.37Å; S39-A109 PolarHBondContact OG-N 3.06Å; S39-A109 VanDerWaalsContact OG-N 3.11Å; S39-A110 PolarHBondContact OG-N 3.42Å; S39-A110 VanDerWaalsContact OG-N 3.13Å |
| 40 | L | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 174.7 | -63.3 | -179.5 | 0 | 0 | 0 | 112 | F10 F13 F14 K17 I36 Q37 F42 V43 L44 F56 | F10-L40 HydrophobicContact CE2-CB 4.45Å; F13-L40 HydrophobicContact CD1-CD1 4.4Å; F13-L40 HydrophobicContact CE1-CD1 4.2Å; F13-L40 HydrophobicContact CE1-CD2 4.31Å; F14-L40 HydrophobicContact CB-CD1 4.38Å; F14-L40 HydrophobicContact CD2-CD1 3.79Å; K17-L40 HydrophobicContact CB-CD1 3.7Å; K17-L40 HydrophobicContact CB-CD2 4.33Å; K17-L40 HydrophobicContact CD-CD2 4.05Å; K17-L40 HydrophobicContact CG-CD1 3.89Å; K17-L40 HydrophobicContact CG-CD2 3.92Å; I36-L40 HydrophobicContact CG2-CD1 4.33Å; I36-L40 HydrophobicContact CG2-CG 4.3Å; I36-L40 WeakPolarHBondContact O-CG 3.22Å; I36-L40 PolarHBondContact O-N 2.96Å; Q37-L40 PolarHBondContact O-N 2.91Å; L40-F42 VanDerWaalsContact C-N 3.34Å; L40-V43 PolarHBondContact O-N 2.79Å; L40-L44 WeakPolarHBondContact O-CB 3.42Å; L40-L44 VanDerWaalsContact O-CG 3.26Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 3.08Å; L40-F56 HydrophobicContact CB-CE2 4.5Å; L40-F56 HydrophobicContact CD2-CD2 4.31Å; L40-F56 HydrophobicContact CD2-CE2 3.36Å; L40-F56 HydrophobicContact CD2-CZ 3.6Å |
| 41 | E | 93 | Very high | 91.3 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 175.8 | -71.4 | 177.2 | -159 | 0 | 0 | 111.6 | E4 F10 Q37 Q38 L44 K45 | E4-E41 HydrophobicContact CB-CG 4.45Å; F10-E41 HydrophobicContact CE1-CG 4.47Å; F10-E41 HydrophobicContact CE2-CG 3.93Å; F10-E41 HydrophobicContact CZ-CG 3.64Å; Q37-E41 PolarHBondContact NE2-OE1 3.36Å; Q37-E41 WeakPolarHBondContact O-CG 3.35Å; Q37-E41 PolarHBondContact O-N 3.26Å; Q38-E41 PolarHBondContact O-N 3.38Å; E41-L44 PolarHBondContact O-N 3.43Å; E41-K45 WeakPolarHBondContact O-CB 3.32Å; E41-K45 PolarHBondContact O-N 3.35Å |
| 42 | F | 94.5 | Very high | 91.7 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 175.2 | -178.2 | -95.9 | 0 | 0 | 0 | 112.6 | Q38 S39 L40 K45 N46 L63 A109 A110 V130 L132 D133 | Q38-F42 WeakPolarHBondContact O-CB 3.42Å; Q38-F42 PolarHBondContact O-N 3.2Å; S39-F42 PolarHBondContact O-N 2.95Å; L40-F42 VanDerWaalsContact C-N 3.34Å; F42-K45 WeakPolarHBondContact O-CB 3.32Å; F42-K45 PolarHBondContact O-N 3.21Å; F42-N46 PolarHBondContact O-N 3.33Å; F42-N46 PolarHBondContact O-ND2 3.3Å; F42-L63 HydrophobicContact CD1-CD1 4.08Å; F42-L63 HydrophobicContact CE1-CD1 3.94Å; F42-L63 HydrophobicContact CE1-CD2 3.65Å; F42-L63 HydrophobicContact CE1-CG 4.48Å; F42-L63 HydrophobicContact CZ-CD2 4.21Å; F42-A109 HydrophobicContact CD1-CB 4.17Å; F42-A109 VanDerWaalsContact CD1-O 3.29Å; F42-A109 WeakPolarHBondContact CD1-O 3.4Å; F42-A109 WeakPolarHBondContact CE1-O 3.36Å; F42-A110 HydrophobicContact CB-CB 3.81Å; F42-A110 HydrophobicContact CG-CB 4.13Å; F42-V130 HydrophobicContact CD2-CG2 3.77Å; F42-V130 HydrophobicContact CE2-CG2 4.05Å; F42-V130 VanDerWaalsContact CE2-O 3.24Å; F42-V130 WeakPolarHBondContact CE2-O 3.24Å; F42-L132 HydrophobicContact CE1-CB 4.34Å; F42-L132 HydrophobicContact CZ-CB 4.25Å; F42-D133 HydrophobicContact CE2-CB 4.11Å; F42-D133 WeakPolarHBondContact CE2-OD2 3.3Å; F42-D133 HydrophobicContact CZ-CB 4.34Å |
| 43 | V | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 173.9 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | S39 L40 K45 N46 G47 F56 G59 K60 L63 A109 | S39-V43 WeakPolarHBondContact O-CG2 3.39Å; S39-V43 PolarHBondContact O-N 2.96Å; L40-V43 PolarHBondContact O-N 2.79Å; V43-K45 VanDerWaalsContact C-N 3.34Å; V43-K45 PolarHBondContact O-N 3.03Å; V43-N46 CarbonylContact O-C 3.53Å; V43-N46 PolarHBondContact O-N 2.84Å; V43-N46 VanDerWaalsContact O-N 3.09Å; V43-G47 PolarHBondContact O-N 2.92Å; V43-G47 VanDerWaalsContact O-N 3.17Å; V43-F56 HydrophobicContact CB-CD2 3.85Å; V43-F56 HydrophobicContact CB-CE2 3.62Å; V43-F56 HydrophobicContact CG1-CD2 3.44Å; V43-F56 VanDerWaalsContact CG1-CD2 3.44Å; V43-F56 HydrophobicContact CG1-CE2 3.49Å; V43-F56 VanDerWaalsContact CG1-CE2 3.49Å; V43-F56 HydrophobicContact CG1-CG 4.11Å; V43-F56 HydrophobicContact CG1-CZ 4.21Å; V43-F56 WeakPolarHBondContact CG1-O 3.17Å; V43-F56 HydrophobicContact CG2-CE2 4.04Å; V43-G59 WeakPolarHBondContact O-CA 3.44Å; V43-K60 HydrophobicContact CG1-CG 3.67Å; V43-L63 HydrophobicContact CB-CD1 4.34Å; V43-L63 HydrophobicContact CG2-CD1 3.85Å; V43-A109 HydrophobicContact CG2-CB 3.55Å |
| 44 | L | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.9 | -29.9 | 179.1 | -74.1 | 168.2 | 0 | 0 | 0 | 113.9 | F10 L40 E41 N46 G47 L52 R55 F56 | F10-L44 HydrophobicContact CD2-CD1 3.82Å; F10-L44 HydrophobicContact CE2-CD1 3.75Å; L40-L44 WeakPolarHBondContact O-CB 3.42Å; L40-L44 VanDerWaalsContact O-CG 3.26Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 3.08Å; E41-L44 PolarHBondContact O-N 3.43Å; L44-N46 VanDerWaalsContact C-N 3.27Å; L44-G47 PolarHBondContact O-N 3.06Å; L44-G47 VanDerWaalsContact O-N 3.15Å; L44-L52 HydrophobicContact CD1-CD2 3.87Å; L44-L52 HydrophobicContact CD1-CG 4.14Å; L44-L52 HydrophobicContact CD2-CD2 3.9Å; L44-L52 HydrophobicContact CD2-CG 3.98Å; L44-L52 WeakPolarHBondContact CD2-O 3.49Å; L44-R55 HydrophobicContact CD2-CB 3.87Å; L44-R55 PolarHBondContact O-NH2 3.02Å; L44-R55 VanDerWaalsContact O-NH2 3.09Å; L44-F56 HydrophobicContact CD2-CB 3.97Å; L44-F56 HydrophobicContact CD2-CD2 4.49Å; L44-F56 HydrophobicContact CG-CD2 4.34Å |
| 45 | K | 93 | Very high | 92.5 | Very high | 114 Ų | 114 | 47.8 Ų | 47.8 | 50% | 0.496 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64 | -31.4 | 170.9 | 177.2 | -165 | 169.9 | -158.6 | 0 | 111.8 | E41 F42 V43 D133 | E41-K45 WeakPolarHBondContact O-CB 3.32Å; E41-K45 PolarHBondContact O-N 3.35Å; F42-K45 WeakPolarHBondContact O-CB 3.32Å; F42-K45 PolarHBondContact O-N 3.21Å; V43-K45 VanDerWaalsContact C-N 3.34Å; V43-K45 PolarHBondContact O-N 3.03Å; K45-D133 IonicContact NZ-OD2 2.73Å; K45-D133 PolarHBondContact NZ-OD2 3.48Å |
| 46 | N | 93.8 | Very high | 92.7 | Very high | 19 Ų | 19 | 42.5 Ų | 42.5 | 10% | 0.102 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -4 | 173.8 | -72.4 | -90.6 | 0 | 0 | 0 | 112.9 | F42 V43 L44 G59 Q62 L63 R66 | F42-N46 PolarHBondContact O-N 3.33Å; F42-N46 PolarHBondContact O-ND2 3.3Å; V43-N46 CarbonylContact O-C 3.53Å; V43-N46 PolarHBondContact O-N 2.84Å; V43-N46 VanDerWaalsContact O-N 3.09Å; L44-N46 VanDerWaalsContact C-N 3.27Å; N46-G59 WeakPolarHBondContact O-CA 3.48Å; N46-Q62 PolarHBondContact O-NE2 2.95Å; N46-Q62 VanDerWaalsContact O-NE2 3.15Å; N46-Q62 PolarHBondContact O-OE1 3.44Å; N46-L63 HydrophobicContact CB-CD1 4.37Å; N46-L63 HydrophobicContact CB-CD2 4.35Å; N46-L63 HydrophobicContact CB-CG 4.03Å; N46-R66 PolarHBondContact OD1-NH1 3.19Å |
| 47 | G | 92.7 | Very high | 92.9 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | trans | -78.3 | 154.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V43 L44 R55 | V43-G47 PolarHBondContact O-N 2.92Å; V43-G47 VanDerWaalsContact O-N 3.17Å; L44-G47 PolarHBondContact O-N 3.06Å; L44-G47 VanDerWaalsContact O-N 3.15Å; G47-R55 VanDerWaalsContact CA-O 3.26Å; G47-R55 WeakPolarHBondContact CA-O 3.25Å | ||
| 48 | G | 91 | Very high | 93.1 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 32% | 0.32 | 26% | 0.257 | S | S | . | . | trans | -85.9 | -134.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R55 | G48-R55 WeakPolarHBondContact O-CG 3.46Š| ||
| 49 | E | 88.2 | Confident | 93.4 | Very high | 157 Ų | 157 | 41.9 Ų | 41.9 | 73% | 0.734 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -98.3 | 153.7 | 174.8 | -59.8 | -164.1 | 146.5 | 0 | 0 | 111.8 | Q58 | E49-Q58 PolarHBondContact O-NE2 2.89Å; E49-Q58 PolarHBondContact O-OE1 3.21Å |
| 50 | G | 89.7 | Confident | 93.5 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 141.1 | -171 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 51 | T | 90.9 | Very high | 93.6 | Very high | 81 Ų | 81 | 48.4 Ų | 48.4 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -66.6 | 158.7 | 166.3 | 64.4 | 0 | 0 | 0 | 0 | 110.7 | E54 R55 | T51-E54 WeakPolarHBondContact CB-OE2 3.24Å; T51-E54 WeakPolarHBondContact CG2-OE2 3.49Å; T51-E54 PolarHBondContact N-OE2 3.44Å; T51-E54 WeakPolarHBondContact O-CB 3.42Å; T51-E54 PolarHBondContact O-N 3.26Å; T51-E54 VanDerWaalsContact OG1-CG 3.32Å; T51-E54 WeakPolarHBondContact OG1-CG 3.15Å; T51-E54 PolarHBondContact OG1-OE2 3.16Å; T51-R55 WeakPolarHBondContact O-CG 3.5Å; T51-R55 PolarHBondContact O-N 2.97Å |
| 52 | L | 90.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.3 | -40.6 | -175.5 | -160.8 | 158.3 | 0 | 0 | 0 | 113.7 | A9 F10 F13 L44 R55 F56 | A9-L52 HydrophobicContact CB-CD1 4.36Å; F10-L52 HydrophobicContact CB-CD1 3.93Å; F10-L52 HydrophobicContact CD2-CD1 4.19Å; F13-L52 HydrophobicContact CB-CD2 3.74Å; F13-L52 HydrophobicContact CD1-CD2 3.3Å; F13-L52 HydrophobicContact CD2-CD2 3.67Å; F13-L52 HydrophobicContact CE1-CD2 3.7Å; F13-L52 HydrophobicContact CE2-CD2 4.04Å; F13-L52 HydrophobicContact CG-CD2 3.28Å; F13-L52 HydrophobicContact CZ-CD2 4.05Å; L44-L52 HydrophobicContact CD1-CD2 3.87Å; L44-L52 HydrophobicContact CD1-CG 4.14Å; L44-L52 HydrophobicContact CD2-CD2 3.9Å; L44-L52 HydrophobicContact CD2-CG 3.98Å; L44-L52 WeakPolarHBondContact CD2-O 3.49Å; L52-R55 PolarHBondContact O-N 3.24Å; L52-F56 WeakPolarHBondContact O-CB 3.4Å; L52-F56 PolarHBondContact O-N 3.33Å |
| 53 | P | 92.1 | Very high | 93.9 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 171 | -22.9 | 35.1 | 0 | 0 | 0 | 114.3 | F13 F56 E57 | F13-P53 HydrophobicContact CD2-CG 4.22Å; F13-P53 HydrophobicContact CE2-CB 4.38Å; F13-P53 HydrophobicContact CE2-CG 4.29Å; P53-F56 PolarHBondContact O-N 3.09Å; P53-E57 PolarHBondContact O-N 3.49Å |
| 54 | E | 93.5 | Very high | 93.9 | Very high | 104 Ų | 104 | 55.1 Ų | 55.1 | 49% | 0.486 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 176.6 | -68.6 | 164.5 | 142.5 | 0 | 0 | 110.9 | T51 F56 E57 Q58 | T51-E54 WeakPolarHBondContact CB-OE2 3.24Å; T51-E54 WeakPolarHBondContact CG2-OE2 3.49Å; T51-E54 PolarHBondContact N-OE2 3.44Å; T51-E54 WeakPolarHBondContact O-CB 3.42Å; T51-E54 PolarHBondContact O-N 3.26Å; T51-E54 VanDerWaalsContact OG1-CG 3.32Å; T51-E54 WeakPolarHBondContact OG1-CG 3.15Å; T51-E54 PolarHBondContact OG1-OE2 3.16Å; E54-F56 VanDerWaalsContact C-N 3.31Å; E54-F56 PolarHBondContact O-N 2.94Å; E54-E57 PolarHBondContact O-N 3Å; E54-Q58 WeakPolarHBondContact O-CB 3.2Å; E54-Q58 WeakPolarHBondContact O-CG 3.33Å; E54-Q58 PolarHBondContact O-N 3.29Å |
| 55 | R | 94.2 | Very high | 94 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 6% | 0.057 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 173.7 | -69.7 | 178.2 | 59.3 | -145.3 | -8.3 | 111.7 | E4 L44 G47 G48 T51 L52 Q58 G59 | E4-R55 IonicContact OE1-CZ 2.83Å; E4-R55 IonicContact OE1-NH1 3.27Å; E4-R55 PolarHBondContact OE1-NH1 3.4Å; E4-R55 IonicContact OE1-NH2 2.73Å; E4-R55 PolarHBondContact OE1-NH2 3.43Å; E4-R55 IonicContact OE2-CZ 2.76Å; E4-R55 IonicContact OE2-NH1 2.79Å; E4-R55 PolarHBondContact OE2-NH1 3.25Å; E4-R55 IonicContact OE2-NH2 3.35Å; L44-R55 HydrophobicContact CD2-CB 3.87Å; L44-R55 PolarHBondContact O-NH2 3.02Å; L44-R55 VanDerWaalsContact O-NH2 3.09Å; G47-R55 VanDerWaalsContact CA-O 3.26Å; G47-R55 WeakPolarHBondContact CA-O 3.25Å; G48-R55 WeakPolarHBondContact O-CG 3.46Å; T51-R55 WeakPolarHBondContact O-CG 3.5Å; T51-R55 PolarHBondContact O-N 2.97Å; L52-R55 PolarHBondContact O-N 3.24Å; R55-Q58 PolarHBondContact O-N 3.39Å; R55-G59 PolarHBondContact O-N 3.2Å |
| 56 | F | 94.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 177.9 | -173.3 | -103.5 | 0 | 0 | 0 | 111.9 | F13 L40 V43 L44 L52 P53 E54 Q58 G59 K60 | F13-F56 HydrophobicContact CE1-CD2 4.12Å; F13-F56 HydrophobicContact CE1-CG 4.26Å; F13-F56 HydrophobicContact CZ-CB 3.85Å; F13-F56 AromaticContact CZ-CD1 3.92Å; F13-F56 HydrophobicContact CZ-CD1 3.92Å; F13-F56 AromaticContact CZ-CD2 3.95Å; F13-F56 HydrophobicContact CZ-CD2 3.95Å; F13-F56 HydrophobicContact CZ-CE1 4.46Å; F13-F56 AromaticContact CZ-CG 3.63Å; F13-F56 HydrophobicContact CZ-CG 3.63Å; L40-F56 HydrophobicContact CB-CE2 4.5Å; L40-F56 HydrophobicContact CD2-CD2 4.31Å; L40-F56 HydrophobicContact CD2-CE2 3.36Å; L40-F56 HydrophobicContact CD2-CZ 3.6Å; V43-F56 HydrophobicContact CB-CD2 3.85Å; V43-F56 HydrophobicContact CB-CE2 3.62Å; V43-F56 HydrophobicContact CG1-CD2 3.44Å; V43-F56 VanDerWaalsContact CG1-CD2 3.44Å; V43-F56 HydrophobicContact CG1-CE2 3.49Å; V43-F56 VanDerWaalsContact CG1-CE2 3.49Å; V43-F56 HydrophobicContact CG1-CG 4.11Å; V43-F56 HydrophobicContact CG1-CZ 4.21Å; V43-F56 WeakPolarHBondContact CG1-O 3.17Å; V43-F56 HydrophobicContact CG2-CE2 4.04Å; L44-F56 HydrophobicContact CD2-CB 3.97Å; L44-F56 HydrophobicContact CD2-CD2 4.49Å; L44-F56 HydrophobicContact CG-CD2 4.34Å; L52-F56 WeakPolarHBondContact O-CB 3.4Å; L52-F56 PolarHBondContact O-N 3.33Å; P53-F56 PolarHBondContact O-N 3.09Å; E54-F56 VanDerWaalsContact C-N 3.31Å; E54-F56 PolarHBondContact O-N 2.94Å; F56-Q58 PolarHBondContact O-N 2.88Å; F56-G59 PolarHBondContact O-N 3.01Å; F56-K60 HydrophobicContact CD1-CD 4.29Å; F56-K60 HydrophobicContact CE1-CD 3.71Å; F56-K60 VanDerWaalsContact CE1-CE 3.47Å; F56-K60 HydrophobicContact CE1-CG 4.3Å; F56-K60 HydrophobicContact CZ-CD 4.08Å; F56-K60 HydrophobicContact CZ-CG 4.46Å; F56-K60 PolarHBondContact O-N 3.49Å |
| 57 | E | 95.8 | Very high | 94.4 | Very high | 90 Ų | 90 | 58 Ų | 58 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.6 | -36 | 177.3 | -67.3 | -58 | 143.2 | 0 | 0 | 112.7 | P53 E54 K60 Q61 | P53-E57 PolarHBondContact O-N 3.49Å; E54-E57 PolarHBondContact O-N 3Å; E57-K60 PolarHBondContact O-N 3.39Å; E57-K60 WeakPolarHBondContact OE1-CE 3.46Å; E57-K60 IonicContact OE1-NZ 3.44Å; E57-K60 PolarHBondContact OE1-NZ 3.14Å; E57-K60 WeakPolarHBondContact OE2-CE 3.49Å; E57-K60 IonicContact OE2-NZ 2.79Å; E57-K60 PolarHBondContact OE2-NZ 2.98Å; E57-Q61 WeakPolarHBondContact O-CG 3.42Å; E57-Q61 PolarHBondContact O-N 2.96Å; E57-Q61 VanDerWaalsContact O-N 3.09Å |
| 58 | Q | 96.2 | Very high | 94.6 | Very high | 64 Ų | 64 | 62.5 Ų | 62.5 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 170 | -72 | 168.6 | 24.3 | 0 | 0 | 111.6 | E49 E54 R55 F56 K60 Q61 Q62 | E49-Q58 PolarHBondContact O-NE2 2.89Å; E49-Q58 PolarHBondContact O-OE1 3.21Å; E54-Q58 WeakPolarHBondContact O-CB 3.2Å; E54-Q58 WeakPolarHBondContact O-CG 3.33Å; E54-Q58 PolarHBondContact O-N 3.29Å; R55-Q58 PolarHBondContact O-N 3.39Å; F56-Q58 PolarHBondContact O-N 2.88Å; Q58-K60 PolarHBondContact O-N 3.38Å; Q58-Q61 WeakPolarHBondContact O-CB 3.41Å; Q58-Q61 PolarHBondContact O-N 2.98Å; Q58-Q61 VanDerWaalsContact O-N 3.14Å; Q58-Q62 PolarHBondContact O-N 2.85Å |
| 59 | G | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V43 N46 R55 F56 Q61 Q62 L63 | V43-G59 WeakPolarHBondContact O-CA 3.44Å; N46-G59 WeakPolarHBondContact O-CA 3.48Å; R55-G59 PolarHBondContact O-N 3.2Å; F56-G59 PolarHBondContact O-N 3.01Å; G59-Q61 VanDerWaalsContact C-N 3.31Å; G59-Q61 PolarHBondContact O-N 2.94Å; G59-Q62 PolarHBondContact O-N 3.45Å; G59-L63 WeakPolarHBondContact O-CB 3.2Å; G59-L63 WeakPolarHBondContact O-CG 3.48Å; G59-L63 PolarHBondContact O-N 3.05Å |
| 60 | K | 97.4 | Very high | 95.4 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 8% | 0.078 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.2 | -37.2 | 173.1 | -69.4 | -165.7 | -67.2 | 180 | 0 | 112.8 | V43 F56 E57 Q58 K64 I105 D106 | V43-K60 HydrophobicContact CG1-CG 3.67Å; F56-K60 HydrophobicContact CD1-CD 4.29Å; F56-K60 HydrophobicContact CE1-CD 3.71Å; F56-K60 VanDerWaalsContact CE1-CE 3.47Å; F56-K60 HydrophobicContact CE1-CG 4.3Å; F56-K60 HydrophobicContact CZ-CD 4.08Å; F56-K60 HydrophobicContact CZ-CG 4.46Å; F56-K60 PolarHBondContact O-N 3.49Å; E57-K60 PolarHBondContact O-N 3.39Å; E57-K60 WeakPolarHBondContact OE1-CE 3.46Å; E57-K60 IonicContact OE1-NZ 3.44Å; E57-K60 PolarHBondContact OE1-NZ 3.14Å; E57-K60 WeakPolarHBondContact OE2-CE 3.49Å; E57-K60 IonicContact OE2-NZ 2.79Å; E57-K60 PolarHBondContact OE2-NZ 2.98Å; Q58-K60 PolarHBondContact O-N 3.38Å; K60-K64 WeakPolarHBondContact O-CB 3.3Å; K60-K64 VanDerWaalsContact O-CG 3.27Å; K60-K64 WeakPolarHBondContact O-CG 3.1Å; K60-K64 PolarHBondContact O-N 3.4Å; K60-I105 HydrophobicContact CB-CD1 4.06Å; K60-I105 HydrophobicContact CD-CG2 4.38Å; K60-I105 HydrophobicContact CG-CD1 4.27Å; K60-I105 HydrophobicContact CG-CG1 4.19Å; K60-I105 WeakPolarHBondContact O-CD1 3.4Å; K60-D106 WeakPolarHBondContact CD-OD1 3.35Å; K60-D106 IonicContact NZ-OD1 3.48Å; K60-D106 PolarHBondContact NZ-OD1 3.41Å; K60-D106 IonicContact NZ-OD2 2.71Å |
| 61 | Q | 96.9 | Very high | 95.7 | Very high | 120 Ų | 120 | 62.3 Ų | 62.3 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.2 | -40.9 | 175.9 | -71.7 | 173.4 | 16.7 | 0 | 0 | 112.3 | E57 Q58 G59 Q65 | E57-Q61 WeakPolarHBondContact O-CG 3.42Å; E57-Q61 PolarHBondContact O-N 2.96Å; E57-Q61 VanDerWaalsContact O-N 3.09Å; Q58-Q61 WeakPolarHBondContact O-CB 3.41Å; Q58-Q61 PolarHBondContact O-N 2.98Å; Q58-Q61 VanDerWaalsContact O-N 3.14Å; G59-Q61 VanDerWaalsContact C-N 3.31Å; G59-Q61 PolarHBondContact O-N 2.94Å; Q61-Q65 WeakPolarHBondContact O-CG 3.28Å; Q61-Q65 PolarHBondContact O-N 3.31Å |
| 62 | Q | 96.8 | Very high | 96.1 | Very high | 89 Ų | 89 | 63.8 Ų | 63.8 | 42% | 0.416 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 176.1 | -68.2 | -169.9 | 37.9 | 0 | 0 | 111.9 | N46 Q58 G59 K64 Q65 R66 | N46-Q62 PolarHBondContact O-NE2 2.95Å; N46-Q62 VanDerWaalsContact O-NE2 3.15Å; N46-Q62 PolarHBondContact O-OE1 3.44Å; Q58-Q62 PolarHBondContact O-N 2.85Å; G59-Q62 PolarHBondContact O-N 3.45Å; Q62-K64 VanDerWaalsContact C-N 3.34Å; Q62-K64 PolarHBondContact O-N 3.23Å; Q62-Q65 PolarHBondContact O-N 3.03Å; Q62-R66 WeakPolarHBondContact O-CG 3.36Å; Q62-R66 PolarHBondContact O-N 2.88Å |
| 63 | L | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 177.5 | -74.4 | 173.1 | 0 | 0 | 0 | 112.2 | F42 V43 N46 G59 R66 F67 I105 L132 | F42-L63 HydrophobicContact CD1-CD1 4.08Å; F42-L63 HydrophobicContact CE1-CD1 3.94Å; F42-L63 HydrophobicContact CE1-CD2 3.65Å; F42-L63 HydrophobicContact CE1-CG 4.48Å; F42-L63 HydrophobicContact CZ-CD2 4.21Å; V43-L63 HydrophobicContact CB-CD1 4.34Å; V43-L63 HydrophobicContact CG2-CD1 3.85Å; N46-L63 HydrophobicContact CB-CD1 4.37Å; N46-L63 HydrophobicContact CB-CD2 4.35Å; N46-L63 HydrophobicContact CB-CG 4.03Å; G59-L63 WeakPolarHBondContact O-CB 3.2Å; G59-L63 WeakPolarHBondContact O-CG 3.48Å; G59-L63 PolarHBondContact O-N 3.05Å; L63-R66 WeakPolarHBondContact O-CB 3.29Å; L63-R66 PolarHBondContact O-N 3.43Å; L63-F67 VanDerWaalsContact O-CB 3.29Å; L63-F67 WeakPolarHBondContact O-CB 3.42Å; L63-F67 PolarHBondContact O-N 3.39Å; L63-I105 HydrophobicContact CB-CD1 3.88Å; L63-I105 HydrophobicContact CB-CG1 4.4Å; L63-I105 HydrophobicContact CD1-CG1 4.49Å; L63-L132 HydrophobicContact CB-CD2 4.44Å; L63-L132 HydrophobicContact CD2-CB 4.18Å; L63-L132 HydrophobicContact CD2-CD2 3.75Å; L63-L132 WeakPolarHBondContact O-CD2 3.47Å |
| 64 | K | 96.8 | Very high | 96.7 | Very high | 110 Ų | 110 | 62.6 Ų | 62.6 | 48% | 0.478 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 172.8 | -75.6 | 175.7 | -178.6 | -170.6 | 0 | 113 | K60 Q62 R66 F67 E68 I105 | K60-K64 WeakPolarHBondContact O-CB 3.3Å; K60-K64 VanDerWaalsContact O-CG 3.27Å; K60-K64 WeakPolarHBondContact O-CG 3.1Å; K60-K64 PolarHBondContact O-N 3.4Å; Q62-K64 VanDerWaalsContact C-N 3.34Å; Q62-K64 PolarHBondContact O-N 3.23Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 2.95Å; K64-F67 PolarHBondContact O-N 2.91Å; K64-E68 WeakPolarHBondContact O-CG 3.43Å; K64-E68 PolarHBondContact O-N 3.21Å; K64-I105 HydrophobicContact CD-CD1 4.36Å; K64-I105 HydrophobicContact CG-CD1 3.66Å |
| 65 | Q | 96.8 | Very high | 96.9 | Very high | 114 Ų | 114 | 62.3 Ų | 62.3 | 53% | 0.533 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.3 | -27.9 | 177.4 | -68.6 | 176.7 | 12.2 | 0 | 0 | 113.4 | Q61 Q62 K69 | Q61-Q65 WeakPolarHBondContact O-CG 3.28Å; Q61-Q65 PolarHBondContact O-N 3.31Å; Q62-Q65 PolarHBondContact O-N 3.03Å; Q65-K69 WeakPolarHBondContact O-CD 3.34Å; Q65-K69 WeakPolarHBondContact O-CG 3.48Å |
| 66 | R | 97.4 | Very high | 97.1 | Very high | 46 Ų | 46 | 67 Ų | 67 | 17% | 0.174 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.3 | -47.2 | 172.2 | -76.5 | 176.7 | 68.6 | -167.5 | -1 | 110.7 | N46 Q62 L63 K64 E68 K69 L70 L132 D133 E136 | N46-R66 PolarHBondContact OD1-NH1 3.19Å; Q62-R66 WeakPolarHBondContact O-CG 3.36Å; Q62-R66 PolarHBondContact O-N 2.88Å; L63-R66 WeakPolarHBondContact O-CB 3.29Å; L63-R66 PolarHBondContact O-N 3.43Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 2.95Å; R66-E68 PolarHBondContact O-N 3.48Å; R66-K69 WeakPolarHBondContact O-CB 3.23Å; R66-K69 PolarHBondContact O-N 3.37Å; R66-K69 VanDerWaalsContact O-N 3.11Å; R66-L70 PolarHBondContact O-N 3.1Å; R66-L132 HydrophobicContact CB-CD2 3.48Å; R66-L132 VanDerWaalsContact CB-CD2 3.48Å; R66-D133 IonicContact CZ-OD1 2.68Å; R66-D133 VanDerWaalsContact CZ-OD1 3.27Å; R66-D133 IonicContact NH1-OD1 3.3Å; R66-D133 PolarHBondContact NH1-OD1 3.17Å; R66-D133 IonicContact NH2-OD1 2.78Å; R66-D133 PolarHBondContact NH2-OD1 3.47Å; R66-E136 VanDerWaalsContact CB-OE1 3.32Å; R66-E136 WeakPolarHBondContact CB-OE1 3.46Å; R66-E136 IonicContact CZ-OE1 3.5Å; R66-E136 IonicContact CZ-OE2 3.25Å; R66-E136 IonicContact NE-OE1 3.51Å; R66-E136 PolarHBondContact NE-OE1 3.48Å; R66-E136 IonicContact NE-OE2 2.77Å; R66-E136 PolarHBondContact NE-OE2 3.43Å; R66-E136 IonicContact NH2-OE1 3.84Å; R66-E136 PolarHBondContact NH2-OE1 3.04Å; R66-E136 IonicContact NH2-OE2 3.5Å; R66-E136 PolarHBondContact NH2-OE2 3.08Å |
| 67 | F | 97 | Very high | 97.3 | Very high | 34 Ų | 34 | 67 Ų | 67 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.1 | -49.5 | 177.9 | -173.8 | -87.8 | 0 | 0 | 0 | 112.4 | L63 K64 K69 L70 E71 F99 F100 Y103 L132 | L63-F67 VanDerWaalsContact O-CB 3.29Å; L63-F67 WeakPolarHBondContact O-CB 3.42Å; L63-F67 PolarHBondContact O-N 3.39Å; K64-F67 PolarHBondContact O-N 2.91Å; F67-K69 PolarHBondContact O-N 3.26Å; F67-L70 WeakPolarHBondContact O-CB 3.35Å; F67-L70 PolarHBondContact O-N 3.14Å; F67-E71 PolarHBondContact O-N 2.88Å; F67-F99 HydrophobicContact CD2-CE1 4.28Å; F67-F99 HydrophobicContact CD2-CZ 4.42Å; F67-F99 AromaticContact CE2-CE1 3.96Å; F67-F99 HydrophobicContact CE2-CE1 3.96Å; F67-F99 HydrophobicContact CE2-CZ 4.22Å; F67-F100 HydrophobicContact CE1-CD1 4.12Å; F67-F100 AromaticContact CE2-CD1 3.99Å; F67-F100 HydrophobicContact CE2-CD1 3.99Å; F67-F100 HydrophobicContact CZ-CB 4.26Å; F67-F100 AromaticContact CZ-CD1 3.77Å; F67-F100 HydrophobicContact CZ-CD1 3.77Å; F67-F100 HydrophobicContact CZ-CG 4.49Å; F67-F100 WeakPolarHBondContact CZ-O 3.47Å; F67-Y103 AromaticContact CD2-CD1 3.58Å; F67-Y103 HydrophobicContact CD2-CD1 3.58Å; F67-Y103 HydrophobicContact CD2-CE1 4.09Å; F67-Y103 HydrophobicContact CD2-CG 4.17Å; F67-Y103 AromaticContact CE2-CD1 3.55Å; F67-Y103 HydrophobicContact CE2-CD1 3.55Å; F67-Y103 HydrophobicContact CE2-CE1 4.48Å; F67-Y103 AromaticContact CE2-CG 3.76Å; F67-Y103 HydrophobicContact CE2-CG 3.76Å; F67-Y103 HydrophobicContact CZ-CD1 4.47Å; F67-L132 HydrophobicContact CB-CD1 4.45Å; F67-L132 HydrophobicContact CB-CD2 4.29Å; F67-L132 HydrophobicContact CD2-CD1 4.12Å |
| 68 | E | 96.7 | Very high | 97.4 | Very high | 109 Ų | 109 | 65.4 Ų | 65.4 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.2 | -32.9 | 175.9 | -72.5 | 170.6 | -164.2 | 0 | 0 | 113.3 | K64 R66 Q72 | K64-E68 WeakPolarHBondContact O-CG 3.43Å; K64-E68 PolarHBondContact O-N 3.21Å; R66-E68 PolarHBondContact O-N 3.48Å; E68-Q72 VanDerWaalsContact O-CG 3.26Å; E68-Q72 WeakPolarHBondContact O-CG 3.12Å; E68-Q72 PolarHBondContact O-N 2.94Å; E68-Q72 PolarHBondContact O-NE2 3.1Å |
| 69 | K | 97.6 | Very high | 97.4 | Very high | 142 Ų | 142 | 67.8 Ų | 67.8 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -78.6 | -32.8 | 176.3 | -70.2 | 172.2 | -175.4 | 173.1 | 0 | 112.4 | Q65 R66 F67 Q72 L73 | Q65-K69 WeakPolarHBondContact O-CD 3.34Å; Q65-K69 WeakPolarHBondContact O-CG 3.48Å; R66-K69 WeakPolarHBondContact O-CB 3.23Å; R66-K69 PolarHBondContact O-N 3.37Å; R66-K69 VanDerWaalsContact O-N 3.11Å; F67-K69 PolarHBondContact O-N 3.26Å; K69-Q72 PolarHBondContact O-N 3.25Å; K69-L73 PolarHBondContact O-N 3.29Å; K69-L73 VanDerWaalsContact O-N 3.16Å |
| 70 | L | 97.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 69.6 Ų | 69.6 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.1 | -41.5 | 178.5 | -171.8 | 60.4 | 0 | 0 | 0 | 111.1 | R66 F67 Q72 L73 Y74 F99 F100 L132 E136 L139 | R66-L70 PolarHBondContact O-N 3.1Å; F67-L70 WeakPolarHBondContact O-CB 3.35Å; F67-L70 PolarHBondContact O-N 3.14Å; L70-Q72 VanDerWaalsContact C-N 3.32Å; L70-Q72 PolarHBondContact O-N 3.23Å; L70-L73 HydrophobicContact CD1-CD2 4.45Å; L70-L73 WeakPolarHBondContact O-CA 3.34Å; L70-L73 WeakPolarHBondContact O-CB 3.33Å; L70-L73 PolarHBondContact O-N 2.94Å; L70-Y74 PolarHBondContact O-N 2.86Å; L70-F99 HydrophobicContact CD2-CE1 4.32Å; L70-F100 HydrophobicContact CB-CE1 4.27Å; L70-F100 HydrophobicContact CD2-CE1 4.41Å; L70-F100 HydrophobicContact CD2-CZ 4.44Å; L70-F100 HydrophobicContact CG-CE1 4.13Å; L70-F100 HydrophobicContact CG-CZ 4.01Å; L70-L132 HydrophobicContact CD2-CD1 3.49Å; L70-L132 VanDerWaalsContact CD2-CD1 3.49Å; L70-E136 HydrophobicContact CD1-CB 4.46Å; L70-E136 HydrophobicContact CD1-CG 4.04Å; L70-E136 HydrophobicContact CD2-CG 4.04Å; L70-E136 HydrophobicContact CG-CG 4.47Å; L70-L139 HydrophobicContact CD1-CB 3.86Å; L70-L139 HydrophobicContact CD1-CD1 3.56Å; L70-L139 HydrophobicContact CD1-CG 4.34Å; L70-L139 HydrophobicContact CD2-CD1 4.25Å; L70-L139 HydrophobicContact CG-CD1 3.76Å |
| 71 | E | 97.6 | Very high | 97.3 | Very high | 84 Ų | 84 | 72.3 Ų | 72.3 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.2 | -45.5 | 171.4 | -169.8 | -178.8 | -166.3 | 0 | 0 | 110.6 | F67 L73 Y74 E75 F100 | F67-E71 PolarHBondContact O-N 2.88Å; E71-L73 PolarHBondContact O-N 3.1Å; E71-Y74 PolarHBondContact O-N 3.01Å; E71-E75 WeakPolarHBondContact O-CG 3.37Å; E71-E75 PolarHBondContact O-N 2.67Å; E71-F100 VanDerWaalsContact CA-CE1 3.47Å; E71-F100 HydrophobicContact CB-CD1 3.87Å; E71-F100 HydrophobicContact CB-CE1 3.76Å; E71-F100 HydrophobicContact CB-CZ 4.45Å; E71-F100 HydrophobicContact CG-CD1 4.11Å; E71-F100 HydrophobicContact CG-CE1 4.41Å; E71-F100 HydrophobicContact CG-CG 4.46Å |
| 72 | Q | 98 | Very high | 97.2 | Very high | 112 Ų | 112 | 69.4 Ų | 69.4 | 52% | 0.523 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.2 | -20.9 | 173.5 | -71.9 | 170 | 35.1 | 0 | 0 | 114.9 | E68 K69 L70 K76 | E68-Q72 VanDerWaalsContact O-CG 3.26Å; E68-Q72 WeakPolarHBondContact O-CG 3.12Å; E68-Q72 PolarHBondContact O-N 2.94Å; E68-Q72 PolarHBondContact O-NE2 3.1Å; K69-Q72 PolarHBondContact O-N 3.25Å; L70-Q72 VanDerWaalsContact C-N 3.32Å; L70-Q72 PolarHBondContact O-N 3.23Å; Q72-K76 WeakPolarHBondContact O-CD 3.39Å; Q72-K76 WeakPolarHBondContact O-CE 3.3Å; Q72-K76 VanDerWaalsContact O-CG 3.3Å; Q72-K76 WeakPolarHBondContact O-CG 3.29Å |
| 73 | L | 98.2 | Very high | 97.1 | Very high | 35 Ų | 35 | 66.1 Ų | 66.1 | 18% | 0.183 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -82.9 | -43.9 | 173.6 | -179.2 | 61.6 | 0 | 0 | 0 | 110.5 | K69 L70 E71 K76 I77 L139 Q140 A143 | K69-L73 PolarHBondContact O-N 3.29Å; K69-L73 VanDerWaalsContact O-N 3.16Å; L70-L73 HydrophobicContact CD1-CD2 4.45Å; L70-L73 WeakPolarHBondContact O-CA 3.34Å; L70-L73 WeakPolarHBondContact O-CB 3.33Å; L70-L73 PolarHBondContact O-N 2.94Å; E71-L73 PolarHBondContact O-N 3.1Å; L73-K76 WeakPolarHBondContact O-CB 3.41Å; L73-K76 PolarHBondContact O-N 3.32Å; L73-K76 VanDerWaalsContact O-N 3.14Å; L73-I77 HydrophobicContact CG-CD1 4.32Å; L73-I77 WeakPolarHBondContact O-CG1 3.31Å; L73-I77 PolarHBondContact O-N 3.02Å; L73-L139 HydrophobicContact CD2-CB 4.17Å; L73-Q140 HydrophobicContact CD2-CG 4.23Å; L73-A143 HydrophobicContact CD1-CB 3.84Å; L73-A143 HydrophobicContact CD2-CB 4.42Å; L73-A143 HydrophobicContact CG-CB 4.34Å |
| 74 | Y | 98.1 | Very high | 97 | Very high | 21 Ų | 21 | 66.6 Ų | 66.6 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.7 | -47.2 | 174.6 | 172.8 | -107.3 | 0 | 0 | 0 | 112 | L70 E71 K76 I77 L78 L93 I96 G97 F100 L139 | L70-Y74 PolarHBondContact O-N 2.86Å; E71-Y74 PolarHBondContact O-N 3.01Å; Y74-K76 VanDerWaalsContact C-N 3.28Å; Y74-K76 PolarHBondContact O-N 3.45Å; Y74-I77 WeakPolarHBondContact O-CA 3.33Å; Y74-I77 WeakPolarHBondContact O-CB 3.44Å; Y74-I77 PolarHBondContact O-N 2.97Å; Y74-L78 HydrophobicContact CD1-CD1 4.14Å; Y74-L78 HydrophobicContact CD1-CG 4.49Å; Y74-L78 HydrophobicContact CE1-CD1 3.5Å; Y74-L78 HydrophobicContact CE1-CG 4.11Å; Y74-L78 HydrophobicContact CE2-CD1 4.37Å; Y74-L78 HydrophobicContact CE2-CD2 4.13Å; Y74-L78 HydrophobicContact CE2-CG 4.17Å; Y74-L78 PolarHBondContact O-N 3.03Å; Y74-L93 HydrophobicContact CE2-CD2 4.24Å; Y74-L93 WeakPolarHBondContact CE2-O 3.36Å; Y74-L93 PolarHBondContact OH-O 3.46Å; Y74-I96 HydrophobicContact CD2-CB 4.41Å; Y74-I96 HydrophobicContact CD2-CG2 3.73Å; Y74-I96 HydrophobicContact CE2-CB 4.04Å; Y74-I96 HydrophobicContact CE2-CG2 3.83Å; Y74-G97 WeakPolarHBondContact OH-CA 3.35Å; Y74-G97 PolarHBondContact OH-N 3.03Å; Y74-F100 AromaticContact CD1-CD2 3.82Å; Y74-F100 HydrophobicContact CD1-CD2 3.82Å; Y74-F100 AromaticContact CD1-CE2 3.54Å; Y74-F100 HydrophobicContact CD1-CE2 3.54Å; Y74-F100 HydrophobicContact CD1-CZ 4.45Å; Y74-F100 AromaticContact CD2-CE2 3.98Å; Y74-F100 HydrophobicContact CD2-CE2 3.98Å; Y74-F100 HydrophobicContact CE1-CD2 4.14Å; Y74-F100 HydrophobicContact CE1-CE2 4.19Å; Y74-F100 HydrophobicContact CG-CD2 4.16Å; Y74-F100 AromaticContact CG-CE2 3.41Å; Y74-F100 HydrophobicContact CG-CE2 3.41Å; Y74-F100 VanDerWaalsContact CG-CE2 3.41Å; Y74-F100 HydrophobicContact CG-CZ 4.14Å; Y74-L139 HydrophobicContact CD2-CD2 4.11Å |
| 75 | E | 97.8 | Very high | 96.8 | Very high | 99 Ų | 99 | 62.6 Ų | 62.6 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.3 | -37.4 | 174.3 | -73.1 | -63.3 | 135.5 | 0 | 0 | 112.8 | E71 L78 T79 | E71-E75 WeakPolarHBondContact O-CG 3.37Å; E71-E75 PolarHBondContact O-N 2.67Å; E75-L78 PolarHBondContact O-N 3.16Å; E75-T79 WeakPolarHBondContact O-CG2 3.27Å; E75-T79 PolarHBondContact O-N 2.99Å; E75-T79 PolarHBondContact O-OG1 2.85Å |
| 76 | K | 98 | Very high | 96.6 | Very high | 113 Ų | 113 | 57.1 Ų | 57.1 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 175.2 | -71.3 | 168.2 | -171.8 | 167.8 | 0 | 112 | Q72 L73 Y74 T79 S80 F147 | Q72-K76 WeakPolarHBondContact O-CD 3.39Å; Q72-K76 WeakPolarHBondContact O-CE 3.3Å; Q72-K76 VanDerWaalsContact O-CG 3.3Å; Q72-K76 WeakPolarHBondContact O-CG 3.29Å; L73-K76 WeakPolarHBondContact O-CB 3.41Å; L73-K76 PolarHBondContact O-N 3.32Å; L73-K76 VanDerWaalsContact O-N 3.14Å; Y74-K76 VanDerWaalsContact C-N 3.28Å; Y74-K76 PolarHBondContact O-N 3.45Å; K76-T79 PolarHBondContact O-N 3.38Å; K76-T79 PolarHBondContact O-OG1 3.42Å; K76-S80 WeakPolarHBondContact O-CB 3.49Å; K76-S80 PolarHBondContact O-N 3.5Å; K76-S80 PolarHBondContact O-OG 2.78Å; K76-F147 HydrophobicContact CB-CE1 4.47Å; K76-F147 HydrophobicContact CB-CZ 3.98Å |
| 77 | I | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 172.9 | -68.7 | 160.7 | 0 | 0 | 0 | 109.5 | L73 Y74 T79 S80 Y81 L93 L139 L142 A143 V146 F147 | L73-I77 HydrophobicContact CG-CD1 4.32Å; L73-I77 WeakPolarHBondContact O-CG1 3.31Å; L73-I77 PolarHBondContact O-N 3.02Å; Y74-I77 WeakPolarHBondContact O-CA 3.33Å; Y74-I77 WeakPolarHBondContact O-CB 3.44Å; Y74-I77 PolarHBondContact O-N 2.97Å; I77-T79 VanDerWaalsContact C-N 3.25Å; I77-T79 PolarHBondContact O-N 3.41Å; I77-S80 PolarHBondContact O-N 3.03Å; I77-Y81 WeakPolarHBondContact O-CB 3.39Å; I77-Y81 PolarHBondContact O-N 2.83Å; I77-L93 HydrophobicContact CG2-CD2 3.74Å; I77-L139 HydrophobicContact CD1-CB 4.34Å; I77-L139 HydrophobicContact CD1-CD2 3.6Å; I77-L142 HydrophobicContact CG2-CD2 4.26Å; I77-A143 HydrophobicContact CD1-CB 4.03Å; I77-A143 HydrophobicContact CG1-CB 4.12Å; I77-V146 HydrophobicContact CG2-CB 4.49Å; I77-V146 HydrophobicContact CG2-CG1 4.3Å; I77-V146 HydrophobicContact CG2-CG2 4.14Å; I77-F147 HydrophobicContact CG1-CZ 4.46Å |
| 78 | L | 97.7 | Very high | 96 | Very high | 57 Ų | 57 | 59.5 Ų | 59.5 | 30% | 0.298 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.7 | -33.8 | 178.1 | -69.2 | -174 | 0 | 0 | 0 | 113.7 | Y74 E75 S80 Y81 L93 | Y74-L78 HydrophobicContact CD1-CD1 4.14Å; Y74-L78 HydrophobicContact CD1-CG 4.49Å; Y74-L78 HydrophobicContact CE1-CD1 3.5Å; Y74-L78 HydrophobicContact CE1-CG 4.11Å; Y74-L78 HydrophobicContact CE2-CD1 4.37Å; Y74-L78 HydrophobicContact CE2-CD2 4.13Å; Y74-L78 HydrophobicContact CE2-CG 4.17Å; Y74-L78 PolarHBondContact O-N 3.03Å; E75-L78 PolarHBondContact O-N 3.16Å; L78-S80 VanDerWaalsContact C-N 3.35Å; L78-Y81 HydrophobicContact CD2-CE1 4.35Å; L78-Y81 WeakPolarHBondContact O-CD1 3.33Å; L78-Y81 WeakPolarHBondContact O-CE1 3.14Å; L78-L93 HydrophobicContact CD2-CB 4.36Å; L78-L93 HydrophobicContact CD2-CD1 4.5Å; L78-L93 HydrophobicContact CD2-CD2 4.32Å |
| 79 | T | 97.3 | Very high | 95.9 | Very high | 114 Ų | 114 | 54.6 Ų | 54.6 | 70% | 0.699 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -80.1 | -11.3 | 175.8 | 59 | 0 | 0 | 0 | 0 | 115 | E75 K76 I77 | E75-T79 WeakPolarHBondContact O-CG2 3.27Å; E75-T79 PolarHBondContact O-N 2.99Å; E75-T79 PolarHBondContact O-OG1 2.85Å; K76-T79 PolarHBondContact O-N 3.38Å; K76-T79 PolarHBondContact O-OG1 3.42Å; I77-T79 VanDerWaalsContact C-N 3.25Å; I77-T79 PolarHBondContact O-N 3.41Å |
| 80 | S | 96.6 | Very high | 95.6 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -121.1 | -21.1 | -170.9 | -51.7 | 0 | 0 | 0 | 0 | 114.3 | K76 I77 L78 | K76-S80 WeakPolarHBondContact O-CB 3.49Å; K76-S80 PolarHBondContact O-N 3.5Å; K76-S80 PolarHBondContact O-OG 2.78Å; I77-S80 PolarHBondContact O-N 3.03Å; L78-S80 VanDerWaalsContact C-N 3.35Å |
| 81 | Y | 95.7 | Very high | 95.4 | Very high | 75 Ų | 75 | 55.4 Ų | 55.4 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | trans | -70 | 154.8 | -177.7 | 90.4 | -70.1 | 0 | 0 | 0 | 112.5 | I77 L78 L93 | I77-Y81 WeakPolarHBondContact O-CB 3.39Å; I77-Y81 PolarHBondContact O-N 2.83Å; L78-Y81 HydrophobicContact CD2-CE1 4.35Å; L78-Y81 WeakPolarHBondContact O-CD1 3.33Å; L78-Y81 WeakPolarHBondContact O-CE1 3.14Å; Y81-L93 HydrophobicContact CD1-CD1 4.16Å; Y81-L93 HydrophobicContact CD2-CD1 3.47Å; Y81-L93 VanDerWaalsContact CD2-CD1 3.47Å; Y81-L93 HydrophobicContact CE1-CD1 4.29Å; Y81-L93 HydrophobicContact CE2-CD1 3.62Å; Y81-L93 HydrophobicContact CG-CD1 3.76Å | ||
| 82 | Q | 94.9 | Very high | 95.1 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | trans | -134.6 | 122.6 | 167.8 | -58.9 | -170.9 | 0.9 | 0 | 0 | 106.4 | F84 E154 | Q82-F84 HydrophobicContact CB-CD2 4.08Å; Q82-F84 HydrophobicContact CB-CE2 3.5Å; Q82-F84 HydrophobicContact CB-CZ 3.89Å; Q82-F84 WeakPolarHBondContact O-CD2 3.27Å; Q82-E154 PolarHBondContact NE2-OE1 2.95Å; Q82-E154 PolarHBondContact OE1-OE1 3.21Å | ||
| 83 | S | 93.1 | Very high | 95 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | trans | -76.5 | -24.6 | -177.4 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | G85 I86 E90 | S83-G85 PolarHBondContact O-N 3.1Å; S83-G85 PolarHBondContact OG-N 3.32Å; S83-G85 VanDerWaalsContact OG-N 3.12Å; S83-I86 WeakPolarHBondContact O-CB 3.25Å; S83-I86 WeakPolarHBondContact O-CD1 3.05Å; S83-I86 VanDerWaalsContact O-CG1 3.32Å; S83-I86 WeakPolarHBondContact O-CG1 3.47Å; S83-I86 PolarHBondContact O-N 2.83Å; S83-E90 WeakPolarHBondContact CB-OE1 3.31Å; S83-E90 PolarHBondContact OG-OE1 2.81Å | ||
| 84 | F | 95.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 17.5 | -164.5 | -58.9 | -90.9 | 0 | 0 | 0 | 113.5 | Q82 I149 E154 I157 Y158 L161 Y172 L179 | Q82-F84 HydrophobicContact CB-CD2 4.08Å; Q82-F84 HydrophobicContact CB-CE2 3.5Å; Q82-F84 HydrophobicContact CB-CZ 3.89Å; Q82-F84 WeakPolarHBondContact O-CD2 3.27Å; F84-I149 HydrophobicContact CE2-CG2 3.86Å; F84-I149 HydrophobicContact CZ-CG2 4.49Å; F84-E154 HydrophobicContact CE1-CB 4.26Å; F84-I157 HydrophobicContact CD1-CB 4.28Å; F84-I157 HydrophobicContact CD1-CG2 3.73Å; F84-I157 HydrophobicContact CD2-CG2 4.13Å; F84-I157 HydrophobicContact CE1-CB 3.71Å; F84-I157 HydrophobicContact CE1-CD1 4.13Å; F84-I157 HydrophobicContact CE1-CG2 3.59Å; F84-I157 HydrophobicContact CE2-CD1 3.95Å; F84-I157 HydrophobicContact CE2-CG2 3.97Å; F84-I157 HydrophobicContact CG-CG2 4.03Å; F84-I157 HydrophobicContact CZ-CB 3.9Å; F84-I157 HydrophobicContact CZ-CD1 3.42Å; F84-I157 VanDerWaalsContact CZ-CD1 3.42Å; F84-I157 HydrophobicContact CZ-CG1 4.26Å; F84-I157 HydrophobicContact CZ-CG2 3.72Å; F84-Y158 HydrophobicContact CB-CE1 4.38Å; F84-Y158 HydrophobicContact CD1-CD1 4.07Å; F84-Y158 HydrophobicContact CD1-CD2 4.31Å; F84-Y158 AromaticContact CD1-CE1 3.73Å; F84-Y158 HydrophobicContact CD1-CE1 3.73Å; F84-Y158 AromaticContact CD1-CE2 3.99Å; F84-Y158 HydrophobicContact CD1-CE2 3.99Å; F84-Y158 HydrophobicContact CD1-CG 4.35Å; F84-Y158 AromaticContact CD1-CZ 3.69Å; F84-Y158 HydrophobicContact CE1-CD2 4.34Å; F84-Y158 HydrophobicContact CE1-CE2 4.09Å; F84-L161 HydrophobicContact CB-CD1 3.76Å; F84-L161 HydrophobicContact CD1-CD1 4.36Å; F84-L161 HydrophobicContact CG-CD1 4.06Å; F84-Y172 PolarHBondContact O-OH 3.45Å; F84-L179 HydrophobicContact CD2-CD2 3.42Å; F84-L179 VanDerWaalsContact CD2-CD2 3.42Å; F84-L179 HydrophobicContact CE2-CD2 3.81Å; F84-L179 HydrophobicContact CG-CD2 4.44Å |
| 85 | G | 93.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 27% | 0.268 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 13.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S83 E87 R173 | S83-G85 PolarHBondContact O-N 3.1Å; S83-G85 PolarHBondContact OG-N 3.32Å; S83-G85 VanDerWaalsContact OG-N 3.12Å; G85-E87 PolarHBondContact O-N 3.29Å; G85-R173 VanDerWaalsContact O-CB 3.23Å; G85-R173 WeakPolarHBondContact O-CB 3.4Å; G85-R173 VanDerWaalsContact O-CG 3.27Å; G85-R173 WeakPolarHBondContact O-CG 3.12Å |
| 86 | I | 92.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -73.4 | 112.9 | 174.2 | -62.1 | 161.9 | 0 | 0 | 0 | 108.8 | S83 S88 L89 E90 Y172 V176 L179 | S83-I86 WeakPolarHBondContact O-CB 3.25Å; S83-I86 WeakPolarHBondContact O-CD1 3.05Å; S83-I86 VanDerWaalsContact O-CG1 3.32Å; S83-I86 WeakPolarHBondContact O-CG1 3.47Å; S83-I86 PolarHBondContact O-N 2.83Å; I86-S88 WeakPolarHBondContact CG2-OG 3.5Å; I86-L89 HydrophobicContact CB-CB 4.44Å; I86-L89 HydrophobicContact CG2-CB 4.21Å; I86-L89 PolarHBondContact O-N 2.89Å; I86-E90 PolarHBondContact O-N 3.15Å; I86-Y172 HydrophobicContact CG1-CD2 4.35Å; I86-Y172 HydrophobicContact CG1-CE2 4.49Å; I86-V176 HydrophobicContact CD1-CB 3.77Å; I86-V176 HydrophobicContact CD1-CG1 3.49Å; I86-V176 VanDerWaalsContact CD1-CG1 3.49Å; I86-V176 HydrophobicContact CD1-CG2 4.43Å; I86-V176 HydrophobicContact CG1-CB 4.07Å; I86-V176 HydrophobicContact CG1-CG1 4.33Å; I86-V176 HydrophobicContact CG2-CB 4.43Å; I86-L179 HydrophobicContact CD1-CB 3.8Å; I86-L179 HydrophobicContact CD1-CD1 4.13Å; I86-L179 HydrophobicContact CD1-CD2 4.17Å; I86-L179 HydrophobicContact CD1-CG 4.25Å | ||
| 87 | E | 90.9 | Very high | 94 | Very high | 109 Ų | 109 | 44.5 Ų | 44.5 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.6 | -45.1 | -169 | -64.6 | 176.5 | 163.6 | 0 | 0 | 111.2 | G85 L89 E90 E91 R173 | G85-E87 PolarHBondContact O-N 3.29Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.27Å; E87-E90 PolarHBondContact O-N 2.89Å; E87-E91 WeakPolarHBondContact O-CG 3.2Å; E87-E91 PolarHBondContact O-N 3.44Å; E87-R173 PolarHBondContact N-O 3.11Å |
| 88 | S | 90.7 | Very high | 93.7 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.6 | -35.2 | 179 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | I86 S92 | I86-S88 WeakPolarHBondContact CG2-OG 3.5Å; S88-S92 VanDerWaalsContact O-CB 3.23Å; S88-S92 WeakPolarHBondContact O-CB 3.35Å; S88-S92 PolarHBondContact O-N 2.78Å; S88-S92 PolarHBondContact O-OG 3.22Å |
| 89 | L | 93.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.5 | -41.7 | 176.3 | -179.8 | 54 | 0 | 0 | 0 | 111.9 | I86 E87 L93 Y119 L142 | I86-L89 HydrophobicContact CB-CB 4.44Å; I86-L89 HydrophobicContact CG2-CB 4.21Å; I86-L89 PolarHBondContact O-N 2.89Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.27Å; L89-L93 HydrophobicContact CD1-CD1 4.04Å; L89-L93 HydrophobicContact CD1-CG 4.23Å; L89-L93 HydrophobicContact CG-CD1 4.27Å; L89-L93 WeakPolarHBondContact O-CB 3.1Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 2.67Å; L89-L93 VanDerWaalsContact O-N 3.1Å; L89-Y119 HydrophobicContact CB-CD2 3.55Å; L89-Y119 HydrophobicContact CB-CE2 3.95Å; L89-Y119 HydrophobicContact CB-CG 4.04Å; L89-Y119 HydrophobicContact CD1-CD1 3.84Å; L89-Y119 HydrophobicContact CD1-CD2 4.01Å; L89-Y119 HydrophobicContact CD1-CE1 4.04Å; L89-Y119 HydrophobicContact CD1-CE2 4.18Å; L89-Y119 HydrophobicContact CD1-CG 3.82Å; L89-Y119 HydrophobicContact CD2-CE2 4.17Å; L89-Y119 HydrophobicContact CG-CD2 4.22Å; L89-Y119 HydrophobicContact CG-CE2 4.32Å; L89-Y119 HydrophobicContact CG-CG 4.48Å; L89-L142 HydrophobicContact CD1-CD1 4.22Å |
| 90 | E | 93.3 | Very high | 93.2 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 34% | 0.336 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.1 | -37 | 177.8 | -66.1 | -171.4 | -168.8 | 0 | 0 | 112 | S83 I86 E87 R94 | S83-E90 WeakPolarHBondContact CB-OE1 3.31Å; S83-E90 PolarHBondContact OG-OE1 2.81Å; I86-E90 PolarHBondContact O-N 3.15Å; E87-E90 PolarHBondContact O-N 2.89Å; E90-R94 WeakPolarHBondContact O-CB 3.17Å; E90-R94 PolarHBondContact O-N 3.38Å |
| 91 | E | 91.9 | Very high | 93 | Very high | 93 Ų | 93 | 44.2 Ų | 44.2 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -74 | -47.9 | 178.1 | -66.8 | -175.2 | 151.8 | 0 | 0 | 111.4 | E87 L93 R94 E95 | E87-E91 WeakPolarHBondContact O-CG 3.2Å; E87-E91 PolarHBondContact O-N 3.44Å; E91-L93 VanDerWaalsContact C-N 3.28Å; E91-L93 PolarHBondContact O-N 3.36Å; E91-R94 WeakPolarHBondContact O-CA 3.44Å; E91-R94 VanDerWaalsContact O-CB 3.23Å; E91-R94 WeakPolarHBondContact O-CB 3.47Å; E91-R94 PolarHBondContact O-N 2.99Å; E91-E95 WeakPolarHBondContact O-CG 3.38Å; E91-E95 PolarHBondContact O-N 3.29Å |
| 92 | S | 92.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.1 | -39.8 | 175.6 | -58 | 0 | 0 | 0 | 0 | 112.5 | S88 E95 I96 D118 Y119 | S88-S92 VanDerWaalsContact O-CB 3.23Å; S88-S92 WeakPolarHBondContact O-CB 3.35Å; S88-S92 PolarHBondContact O-N 2.78Å; S88-S92 PolarHBondContact O-OG 3.22Å; S92-E95 PolarHBondContact O-N 3.3Å; S92-I96 WeakPolarHBondContact O-CD1 3.47Å; S92-I96 WeakPolarHBondContact O-CG1 3.35Å; S92-I96 PolarHBondContact O-N 2.94Å; S92-D118 PolarHBondContact OG-N 3.39Å; S92-D118 VanDerWaalsContact OG-N 3.1Å; S92-Y119 WeakPolarHBondContact OG-CB 3.48Å; S92-Y119 PolarHBondContact OG-N 3.1Å |
| 93 | L | 94.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 173.6 | -77.8 | 171.2 | 0 | 0 | 0 | 111.7 | Y74 I77 L78 Y81 L89 E91 E95 I96 G97 L142 | Y74-L93 HydrophobicContact CE2-CD2 4.24Å; Y74-L93 WeakPolarHBondContact CE2-O 3.36Å; Y74-L93 PolarHBondContact OH-O 3.46Å; I77-L93 HydrophobicContact CG2-CD2 3.74Å; L78-L93 HydrophobicContact CD2-CB 4.36Å; L78-L93 HydrophobicContact CD2-CD1 4.5Å; L78-L93 HydrophobicContact CD2-CD2 4.32Å; Y81-L93 HydrophobicContact CD1-CD1 4.16Å; Y81-L93 HydrophobicContact CD2-CD1 3.47Å; Y81-L93 VanDerWaalsContact CD2-CD1 3.47Å; Y81-L93 HydrophobicContact CE1-CD1 4.29Å; Y81-L93 HydrophobicContact CE2-CD1 3.62Å; Y81-L93 HydrophobicContact CG-CD1 3.76Å; L89-L93 HydrophobicContact CD1-CD1 4.04Å; L89-L93 HydrophobicContact CD1-CG 4.23Å; L89-L93 HydrophobicContact CG-CD1 4.27Å; L89-L93 WeakPolarHBondContact O-CB 3.1Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 2.67Å; L89-L93 VanDerWaalsContact O-N 3.1Å; E91-L93 VanDerWaalsContact C-N 3.28Å; E91-L93 PolarHBondContact O-N 3.36Å; L93-E95 VanDerWaalsContact C-N 3.35Å; L93-E95 PolarHBondContact O-N 3.19Å; L93-I96 PolarHBondContact O-N 3.22Å; L93-G97 PolarHBondContact O-N 2.86Å; L93-G97 VanDerWaalsContact O-N 3.15Å; L93-L142 HydrophobicContact CD2-CD2 3.81Å |
| 94 | R | 93.5 | Very high | 92.7 | Very high | 140 Ų | 140 | 46.7 Ų | 46.7 | 53% | 0.528 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -43 | 177.1 | -163.4 | -166 | -40 | -65.4 | -4.7 | 111.9 | E90 E91 G97 S98 | E90-R94 WeakPolarHBondContact O-CB 3.17Å; E90-R94 PolarHBondContact O-N 3.38Å; E91-R94 WeakPolarHBondContact O-CA 3.44Å; E91-R94 VanDerWaalsContact O-CB 3.23Å; E91-R94 WeakPolarHBondContact O-CB 3.47Å; E91-R94 PolarHBondContact O-N 2.99Å; R94-G97 VanDerWaalsContact O-CA 3.31Å; R94-G97 WeakPolarHBondContact O-CA 3.34Å; R94-G97 PolarHBondContact O-N 2.87Å; R94-S98 PolarHBondContact O-N 3.27Å |
| 95 | E | 92.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 47.1 Ų | 47.1 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -75.5 | -31.7 | -178 | -63.1 | -58.8 | 152.2 | 0 | 0 | 112.4 | E91 S92 L93 G97 S98 F99 F116 L117 | E91-E95 WeakPolarHBondContact O-CG 3.38Å; E91-E95 PolarHBondContact O-N 3.29Å; S92-E95 PolarHBondContact O-N 3.3Å; L93-E95 VanDerWaalsContact C-N 3.35Å; L93-E95 PolarHBondContact O-N 3.19Å; E95-G97 PolarHBondContact O-N 3.43Å; E95-S98 PolarHBondContact O-N 3.32Å; E95-S98 VanDerWaalsContact O-N 3.11Å; E95-S98 PolarHBondContact O-OG 3.49Å; E95-F99 PolarHBondContact O-N 2.91Å; E95-F116 HydrophobicContact CB-CB 4.09Å; E95-F116 HydrophobicContact CG-CB 3.94Å; E95-L117 HydrophobicContact CB-CD2 4.42Å |
| 96 | I | 93.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.5 | -27.3 | 165.4 | -64.2 | 162.4 | 0 | 0 | 0 | 111.2 | Y74 S92 L93 F99 F100 L117 Y138 L139 | Y74-I96 HydrophobicContact CD2-CB 4.41Å; Y74-I96 HydrophobicContact CD2-CG2 3.73Å; Y74-I96 HydrophobicContact CE2-CB 4.04Å; Y74-I96 HydrophobicContact CE2-CG2 3.83Å; S92-I96 WeakPolarHBondContact O-CD1 3.47Å; S92-I96 WeakPolarHBondContact O-CG1 3.35Å; S92-I96 PolarHBondContact O-N 2.94Å; L93-I96 PolarHBondContact O-N 3.22Å; I96-F99 WeakPolarHBondContact O-CB 3.32Å; I96-F100 HydrophobicContact CG2-CE2 3.85Å; I96-F100 WeakPolarHBondContact O-CD2 3.27Å; I96-L117 HydrophobicContact CD1-CD2 4.11Å; I96-L117 HydrophobicContact CG1-CD2 3.62Å; I96-Y138 HydrophobicContact CD1-CD1 3.74Å; I96-Y138 HydrophobicContact CD1-CE1 3.43Å; I96-Y138 VanDerWaalsContact CD1-CE1 3.43Å; I96-L139 HydrophobicContact CD1-CD2 4.24Å; I96-L139 HydrophobicContact CG2-CD1 3.94Å; I96-L139 HydrophobicContact CG2-CD2 4.12Å; I96-L139 HydrophobicContact CG2-CG 4.34Å |
| 97 | G | 93.5 | Very high | 92.5 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -34.5 | 171 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y74 L93 R94 E95 F100 | Y74-G97 WeakPolarHBondContact OH-CA 3.35Å; Y74-G97 PolarHBondContact OH-N 3.03Å; L93-G97 PolarHBondContact O-N 2.86Å; L93-G97 VanDerWaalsContact O-N 3.15Å; R94-G97 VanDerWaalsContact O-CA 3.31Å; R94-G97 WeakPolarHBondContact O-CA 3.34Å; R94-G97 PolarHBondContact O-N 2.87Å; E95-G97 PolarHBondContact O-N 3.43Å; G97-F100 PolarHBondContact O-N 3.46Å |
| 98 | S | 91.1 | Very high | 92.6 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 33% | 0.329 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.5 | -37.7 | 178 | 71.8 | 0 | 0 | 0 | 0 | 111.4 | R94 E95 F100 T101 D102 | R94-S98 PolarHBondContact O-N 3.27Å; E95-S98 PolarHBondContact O-N 3.32Å; E95-S98 VanDerWaalsContact O-N 3.11Å; E95-S98 PolarHBondContact O-OG 3.49Å; S98-F100 VanDerWaalsContact C-N 3.27Å; S98-F100 PolarHBondContact O-N 3.04Å; S98-T101 WeakPolarHBondContact O-CA 3.34Å; S98-T101 WeakPolarHBondContact O-CB 3.1Å; S98-T101 PolarHBondContact O-N 2.96Å; S98-D102 PolarHBondContact O-N 2.87Å |
| 99 | F | 92.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 43.7 Ų | 43.7 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -50.8 | -41.9 | 173.3 | 167.7 | -98.8 | 0 | 0 | 0 | 113.2 | F67 L70 E95 I96 T101 D102 Y103 L132 Y135 | F67-F99 HydrophobicContact CD2-CE1 4.28Å; F67-F99 HydrophobicContact CD2-CZ 4.42Å; F67-F99 AromaticContact CE2-CE1 3.96Å; F67-F99 HydrophobicContact CE2-CE1 3.96Å; F67-F99 HydrophobicContact CE2-CZ 4.22Å; L70-F99 HydrophobicContact CD2-CE1 4.32Å; E95-F99 PolarHBondContact O-N 2.91Å; I96-F99 WeakPolarHBondContact O-CB 3.32Å; F99-T101 PolarHBondContact O-N 3.13Å; F99-D102 PolarHBondContact O-N 3.34Å; F99-Y103 HydrophobicContact CD2-CD2 4.31Å; F99-Y103 AromaticContact CE2-CD2 3.43Å; F99-Y103 HydrophobicContact CE2-CD2 3.43Å; F99-Y103 VanDerWaalsContact CE2-CD2 3.43Å; F99-Y103 HydrophobicContact CE2-CE2 4.01Å; F99-Y103 HydrophobicContact CE2-CG 4.05Å; F99-Y103 AromaticContact CZ-CD2 3.84Å; F99-Y103 HydrophobicContact CZ-CD2 3.84Å; F99-Y103 HydrophobicContact CZ-CE2 4.25Å; F99-Y103 HydrophobicContact CZ-CG 4.16Å; F99-Y103 WeakPolarHBondContact O-CB 3.27Å; F99-Y103 PolarHBondContact O-N 2.96Å; F99-L132 HydrophobicContact CE1-CD1 4.21Å; F99-L132 HydrophobicContact CZ-CD1 3.91Å; F99-Y135 HydrophobicContact CB-CE1 4.02Å; F99-Y135 HydrophobicContact CD1-CD1 4.1Å; F99-Y135 HydrophobicContact CD1-CD2 4.33Å; F99-Y135 HydrophobicContact CD1-CE1 4.4Å; F99-Y135 HydrophobicContact CD1-CG 4.07Å; F99-Y135 HydrophobicContact CD2-CD1 4.34Å; F99-Y135 AromaticContact CD2-CD2 3.67Å; F99-Y135 HydrophobicContact CD2-CD2 3.67Å; F99-Y135 HydrophobicContact CD2-CE1 4.04Å; F99-Y135 AromaticContact CD2-CE2 3.33Å; F99-Y135 HydrophobicContact CD2-CE2 3.33Å; F99-Y135 HydrophobicContact CD2-CG 4.17Å; F99-Y135 AromaticContact CD2-CZ 3.53Å; F99-Y135 HydrophobicContact CE1-CD1 4.44Å; F99-Y135 HydrophobicContact CE1-CD2 4.07Å; F99-Y135 AromaticContact CE1-CG 3.95Å; F99-Y135 HydrophobicContact CE1-CG 3.95Å; F99-Y135 AromaticContact CE2-CD2 3.35Å; F99-Y135 HydrophobicContact CE2-CD2 3.35Å; F99-Y135 AromaticContact CE2-CE2 3.38Å; F99-Y135 HydrophobicContact CE2-CE2 3.38Å; F99-Y135 HydrophobicContact CE2-CG 4.04Å; F99-Y135 HydrophobicContact CG-CD1 4.05Å; F99-Y135 HydrophobicContact CG-CD2 4.15Å; F99-Y135 AromaticContact CG-CE1 3.89Å; F99-Y135 HydrophobicContact CG-CE1 3.89Å; F99-Y135 HydrophobicContact CG-CE2 4Å; F99-Y135 HydrophobicContact CG-CG 4.18Å; F99-Y135 AromaticContact CG-CZ 3.87Å; F99-Y135 AromaticContact CZ-CD2 3.58Å; F99-Y135 HydrophobicContact CZ-CD2 3.58Å; F99-Y135 HydrophobicContact CZ-CE2 4.1Å; F99-Y135 AromaticContact CZ-CG 3.93Å; F99-Y135 HydrophobicContact CZ-CG 3.93Å |
| 100 | F | 93.1 | Very high | 92.9 | Very high | 26 Ų | 26 | 43.9 Ų | 43.9 | 11% | 0.114 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.3 | -17.5 | 178.2 | -67.1 | -71.4 | 0 | 0 | 0 | 114.1 | F67 L70 E71 Y74 I96 G97 S98 L139 | F67-F100 HydrophobicContact CE1-CD1 4.12Å; F67-F100 AromaticContact CE2-CD1 3.99Å; F67-F100 HydrophobicContact CE2-CD1 3.99Å; F67-F100 HydrophobicContact CZ-CB 4.26Å; F67-F100 AromaticContact CZ-CD1 3.77Å; F67-F100 HydrophobicContact CZ-CD1 3.77Å; F67-F100 HydrophobicContact CZ-CG 4.49Å; F67-F100 WeakPolarHBondContact CZ-O 3.47Å; L70-F100 HydrophobicContact CB-CE1 4.27Å; L70-F100 HydrophobicContact CD2-CE1 4.41Å; L70-F100 HydrophobicContact CD2-CZ 4.44Å; L70-F100 HydrophobicContact CG-CE1 4.13Å; L70-F100 HydrophobicContact CG-CZ 4.01Å; E71-F100 VanDerWaalsContact CA-CE1 3.47Å; E71-F100 HydrophobicContact CB-CD1 3.87Å; E71-F100 HydrophobicContact CB-CE1 3.76Å; E71-F100 HydrophobicContact CB-CZ 4.45Å; E71-F100 HydrophobicContact CG-CD1 4.11Å; E71-F100 HydrophobicContact CG-CE1 4.41Å; E71-F100 HydrophobicContact CG-CG 4.46Å; Y74-F100 AromaticContact CD1-CD2 3.82Å; Y74-F100 HydrophobicContact CD1-CD2 3.82Å; Y74-F100 AromaticContact CD1-CE2 3.54Å; Y74-F100 HydrophobicContact CD1-CE2 3.54Å; Y74-F100 HydrophobicContact CD1-CZ 4.45Å; Y74-F100 AromaticContact CD2-CE2 3.98Å; Y74-F100 HydrophobicContact CD2-CE2 3.98Å; Y74-F100 HydrophobicContact CE1-CD2 4.14Å; Y74-F100 HydrophobicContact CE1-CE2 4.19Å; Y74-F100 HydrophobicContact CG-CD2 4.16Å; Y74-F100 AromaticContact CG-CE2 3.41Å; Y74-F100 HydrophobicContact CG-CE2 3.41Å; Y74-F100 VanDerWaalsContact CG-CE2 3.41Å; Y74-F100 HydrophobicContact CG-CZ 4.14Å; I96-F100 HydrophobicContact CG2-CE2 3.85Å; I96-F100 WeakPolarHBondContact O-CD2 3.27Å; G97-F100 PolarHBondContact O-N 3.46Å; S98-F100 VanDerWaalsContact C-N 3.27Å; S98-F100 PolarHBondContact O-N 3.04Å; F100-L139 HydrophobicContact CE2-CD1 4.37Å; F100-L139 HydrophobicContact CZ-CD1 3.97Å |
| 101 | T | 91.2 | Very high | 92.8 | Very high | 117 Ų | 117 | 44.8 Ų | 44.8 | 72% | 0.718 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -90.6 | -39.4 | 175.2 | -56 | 0 | 0 | 0 | 0 | 111.7 | S98 F99 | S98-T101 WeakPolarHBondContact O-CA 3.34Å; S98-T101 WeakPolarHBondContact O-CB 3.1Å; S98-T101 PolarHBondContact O-N 2.96Å; F99-T101 PolarHBondContact O-N 3.13Å |
| 102 | D | 90.5 | Very high | 92.4 | Very high | 120 Ų | 120 | 42.2 Ų | 42.2 | 64% | 0.642 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -102.4 | -2.2 | -165 | -65.6 | -34.2 | 0 | 0 | 0 | 115.1 | S98 F99 D104 | S98-D102 PolarHBondContact O-N 2.87Å; F99-D102 PolarHBondContact O-N 3.34Å; D102-D104 PolarHBondContact O-N 3.24Å |
| 103 | Y | 92.8 | Very high | 91.6 | Very high | 35 Ų | 35 | 46.4 Ų | 46.4 | 14% | 0.137 | 24% | 0.242 | C | C | . | . | trans | -60.9 | 100.6 | -176.6 | -174.9 | -118.1 | 0 | 0 | 0 | 115 | F67 F99 I105 A109 | F67-Y103 AromaticContact CD2-CD1 3.58Å; F67-Y103 HydrophobicContact CD2-CD1 3.58Å; F67-Y103 HydrophobicContact CD2-CE1 4.09Å; F67-Y103 HydrophobicContact CD2-CG 4.17Å; F67-Y103 AromaticContact CE2-CD1 3.55Å; F67-Y103 HydrophobicContact CE2-CD1 3.55Å; F67-Y103 HydrophobicContact CE2-CE1 4.48Å; F67-Y103 AromaticContact CE2-CG 3.76Å; F67-Y103 HydrophobicContact CE2-CG 3.76Å; F67-Y103 HydrophobicContact CZ-CD1 4.47Å; F99-Y103 HydrophobicContact CD2-CD2 4.31Å; F99-Y103 AromaticContact CE2-CD2 3.43Å; F99-Y103 HydrophobicContact CE2-CD2 3.43Å; F99-Y103 VanDerWaalsContact CE2-CD2 3.43Å; F99-Y103 HydrophobicContact CE2-CE2 4.01Å; F99-Y103 HydrophobicContact CE2-CG 4.05Å; F99-Y103 AromaticContact CZ-CD2 3.84Å; F99-Y103 HydrophobicContact CZ-CD2 3.84Å; F99-Y103 HydrophobicContact CZ-CE2 4.25Å; F99-Y103 HydrophobicContact CZ-CG 4.16Å; F99-Y103 WeakPolarHBondContact O-CB 3.27Å; F99-Y103 PolarHBondContact O-N 2.96Å; Y103-I105 HydrophobicContact CD1-CB 4.43Å; Y103-I105 HydrophobicContact CE1-CB 4.07Å; Y103-I105 HydrophobicContact CE1-CG1 4.08Å; Y103-I105 PolarHBondContact O-N 2.78Å; Y103-A109 PolarHBondContact OH-O 3.19Å | ||
| 104 | D | 94.1 | Very high | 90.4 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | trans | -81.7 | 89.5 | 175.4 | -173.3 | -18.5 | 0 | 0 | 0 | 111.7 | R21 D102 D106 Y107 G108 A109 | R21-D104 IonicContact NH2-OD2 3.75Å; R21-D104 PolarHBondContact NH2-OD2 3.07Å; D102-D104 PolarHBondContact O-N 3.24Å; D104-D106 PolarHBondContact O-N 2.88Å; D104-D106 PolarHBondContact OD1-N 2.97Å; D104-Y107 PolarHBondContact O-N 2.75Å; D104-Y107 PolarHBondContact OD1-N 2.97Å; D104-G108 CarbonylContact O-C 3.21Å; D104-G108 VanDerWaalsContact O-CA 3.29Å; D104-G108 WeakPolarHBondContact O-CA 3.04Å; D104-G108 PolarHBondContact O-N 3.15Å; D104-A109 PolarHBondContact O-N 3.32Å | ||
| 105 | I | 94.5 | Very high | 88.9 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 9% | 0.092 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -16.9 | 178.1 | -159 | 175.9 | 0 | 0 | 0 | 115.1 | K60 L63 K64 Y103 | K60-I105 HydrophobicContact CB-CD1 4.06Å; K60-I105 HydrophobicContact CD-CG2 4.38Å; K60-I105 HydrophobicContact CG-CD1 4.27Å; K60-I105 HydrophobicContact CG-CG1 4.19Å; K60-I105 WeakPolarHBondContact O-CD1 3.4Å; L63-I105 HydrophobicContact CB-CD1 3.88Å; L63-I105 HydrophobicContact CB-CG1 4.4Å; L63-I105 HydrophobicContact CD1-CG1 4.49Å; K64-I105 HydrophobicContact CD-CD1 4.36Å; K64-I105 HydrophobicContact CG-CD1 3.66Å; Y103-I105 HydrophobicContact CD1-CB 4.43Å; Y103-I105 HydrophobicContact CE1-CB 4.07Å; Y103-I105 HydrophobicContact CE1-CG1 4.08Å; Y103-I105 PolarHBondContact O-N 2.78Å |
| 106 | D | 91.3 | Very high | 88 | Confident | 41 Ų | 41 | 46.8 Ų | 46.8 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -25.7 | -178.4 | -88.9 | -75.1 | 0 | 0 | 0 | 112.3 | K17 K60 D104 | K17-D106 IonicContact NZ-OD1 2.66Å; K60-D106 WeakPolarHBondContact CD-OD1 3.35Å; K60-D106 IonicContact NZ-OD1 3.48Å; K60-D106 PolarHBondContact NZ-OD1 3.41Å; K60-D106 IonicContact NZ-OD2 2.71Å; D104-D106 PolarHBondContact O-N 2.88Å; D104-D106 PolarHBondContact OD1-N 2.97Å |
| 107 | Y | 92.3 | Very high | 87.6 | Confident | 37 Ų | 37 | 47.9 Ų | 47.9 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.9 | -21.2 | -175.4 | -55.5 | -75 | 0 | 0 | 0 | 116.6 | K17 E20 R21 I36 S39 D104 | K17-Y107 HydrophobicContact CD-CE1 4.08Å; E20-Y107 WeakPolarHBondContact CB-OH 3.48Å; R21-Y107 HydrophobicContact CB-CD1 3.88Å; R21-Y107 HydrophobicContact CB-CE1 3.64Å; R21-Y107 HydrophobicContact CB-CG 4.49Å; R21-Y107 HydrophobicContact CG-CD1 3.93Å; R21-Y107 HydrophobicContact CG-CD2 4.45Å; R21-Y107 HydrophobicContact CG-CE1 4.16Å; R21-Y107 HydrophobicContact CG-CG 4.09Å; I36-Y107 HydrophobicContact CD1-CD1 4.49Å; I36-Y107 HydrophobicContact CG2-CD1 4.13Å; S39-Y107 VanDerWaalsContact CB-O 3.26Å; S39-Y107 WeakPolarHBondContact CB-O 3.43Å; S39-Y107 PolarHBondContact OG-O 3.14Å; D104-Y107 PolarHBondContact O-N 2.75Å; D104-Y107 PolarHBondContact OD1-N 2.97Å |
| 108 | G | 92.8 | Very high | 87.2 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -118 | 16.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | S39 D104 A110 E111 | S39-G108 WeakPolarHBondContact OG-CA 3.37Å; D104-G108 CarbonylContact O-C 3.21Å; D104-G108 VanDerWaalsContact O-CA 3.29Å; D104-G108 WeakPolarHBondContact O-CA 3.04Å; D104-G108 PolarHBondContact O-N 3.15Å; G108-A110 PolarHBondContact O-N 3.4Å; G108-E111 WeakPolarHBondContact O-CB 3.39Å; G108-E111 PolarHBondContact O-N 3.01Å |
| 109 | A | 95.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S39 F42 V43 Y103 D104 G131 | S39-A109 PolarHBondContact OG-N 3.06Å; S39-A109 VanDerWaalsContact OG-N 3.11Å; F42-A109 HydrophobicContact CD1-CB 4.17Å; F42-A109 VanDerWaalsContact CD1-O 3.29Å; F42-A109 WeakPolarHBondContact CD1-O 3.4Å; F42-A109 WeakPolarHBondContact CE1-O 3.36Å; V43-A109 HydrophobicContact CG2-CB 3.55Å; Y103-A109 PolarHBondContact OH-O 3.19Å; D104-A109 PolarHBondContact O-N 3.32Å; A109-G131 WeakPolarHBondContact O-CA 3.45Å |
| 110 | A | 93.8 | Very high | 87 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -4.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q38 S39 F42 G108 V130 G131 | Q38-A110 HydrophobicContact CB-CB 4.4Å; S39-A110 PolarHBondContact OG-N 3.42Å; S39-A110 VanDerWaalsContact OG-N 3.13Å; F42-A110 HydrophobicContact CB-CB 3.81Å; F42-A110 HydrophobicContact CG-CB 4.13Å; G108-A110 PolarHBondContact O-N 3.4Å; A110-V130 HydrophobicContact CB-CB 4.47Å; A110-V130 HydrophobicContact CB-CG2 4.35Å; A110-V130 WeakPolarHBondContact O-CB 3.08Å; A110-G131 PolarHBondContact O-N 3.23Å |
| 111 | E | 90.8 | Very high | 87.1 | Confident | 90 Ų | 90 | 48.3 Ų | 48.3 | 42% | 0.421 | 26% | 0.257 | S | S | . | . | trans | -69 | 144 | -178.3 | -62.1 | -173.9 | 159.6 | 0 | 0 | 110.7 | R35 G108 G131 | R35-E111 WeakPolarHBondContact CD-OE1 3.4Å; G108-E111 WeakPolarHBondContact O-CB 3.39Å; G108-E111 PolarHBondContact O-N 3.01Å; E111-G131 WeakPolarHBondContact O-CA 3.28Å | ||
| 112 | V | 84 | Confident | 87.2 | Confident | 39 Ų | 39 | 43.6 Ų | 43.6 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | trans | -136.5 | 128 | 174.5 | -172.9 | 0 | 0 | 0 | 0 | 107.1 | Q114 F134 Y135 | V112-Q114 HydrophobicContact CB-CG 4.27Å; V112-Q114 HydrophobicContact CG1-CG 3.52Å; V112-Q114 PolarHBondContact O-N 2.86Å; V112-F134 HydrophobicContact CB-CG 4.48Å; V112-F134 HydrophobicContact CG1-CB 4.2Å; V112-F134 HydrophobicContact CG1-CD1 3.28Å; V112-F134 HydrophobicContact CG1-CD2 4.01Å; V112-F134 HydrophobicContact CG1-CE1 3.53Å; V112-F134 HydrophobicContact CG1-CE2 4.22Å; V112-F134 HydrophobicContact CG1-CG 3.56Å; V112-F134 HydrophobicContact CG1-CZ 4Å; V112-F134 HydrophobicContact CG2-CB 3.78Å; V112-F134 HydrophobicContact CG2-CD1 4.41Å; V112-F134 HydrophobicContact CG2-CG 4.05Å; V112-Y135 HydrophobicContact CB-CE2 4.47Å; V112-Y135 HydrophobicContact CG1-CE2 4Å | ||
| 113 | D | 77 | Confident | 87.2 | Confident | 89 Ų | 89 | 39.4 Ų | 39.4 | 48% | 0.476 | 21% | 0.206 | S | C | . | . | trans | -99.7 | 80.8 | 175.3 | -143 | -24.5 | 0 | 0 | 0 | 110.1 | A115 F116 Y135 | D113-A115 VanDerWaalsContact C-N 3.28Å; D113-F116 HydrophobicContact CB-CD2 4.25Å; D113-F116 VanDerWaalsContact CG-CD2 3.42Å; D113-F116 VanDerWaalsContact CG-CE2 3.49Å; D113-F116 VanDerWaalsContact OD1-CD2 3.25Å; D113-F116 WeakPolarHBondContact OD1-CD2 3.46Å; D113-F116 VanDerWaalsContact OD1-CE2 3.27Å; D113-F116 WeakPolarHBondContact OD1-CE2 3.36Å; D113-F116 WeakPolarHBondContact OD2-CE2 3.47Å; D113-Y135 PolarHBondContact N-OH 3.08Å; D113-Y135 VanDerWaalsContact N-OH 3.13Å | ||
| 114 | Q | 68.6 | Low | 87.1 | Confident | 66 Ų | 66 | 41.1 Ų | 41.1 | 31% | 0.308 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -75.6 | -18.8 | -178.3 | -62 | -176.4 | -7.4 | 0 | 0 | 112.7 | V112 F116 L117 F134 N505 | V112-Q114 HydrophobicContact CB-CG 4.27Å; V112-Q114 HydrophobicContact CG1-CG 3.52Å; V112-Q114 PolarHBondContact O-N 2.86Å; Q114-F116 PolarHBondContact O-N 2.91Å; Q114-F116 VanDerWaalsContact O-N 3.15Å; Q114-L117 PolarHBondContact O-N 2.91Å; Q114-F134 HydrophobicContact CG-CE2 4.04Å; Q114-F134 HydrophobicContact CG-CZ 3.9Å; Q114-N505 PolarHBondContact OE1-ND2 3.09Å; Q114-N505 VanDerWaalsContact OE1-ND2 3.14Å |
| 115 | A | 61.2 | Low | 86.9 | Confident | 50 Ų | 50 | 39.7 Ų | 39.7 | 41% | 0.413 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -72.4 | -4.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D113 P504 | D113-A115 VanDerWaalsContact C-N 3.28Å; A115-P504 HydrophobicContact CB-CG 4.49Å |
| 116 | F | 74.1 | Confident | 86.5 | Confident | 106 Ų | 106 | 41.5 Ų | 41.5 | 47% | 0.465 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -121 | 13.6 | -179.8 | -55.6 | -74.1 | 0 | 0 | 0 | 113 | E95 D113 Q114 | E95-F116 HydrophobicContact CB-CB 4.09Å; E95-F116 HydrophobicContact CG-CB 3.94Å; D113-F116 HydrophobicContact CB-CD2 4.25Å; D113-F116 VanDerWaalsContact CG-CD2 3.42Å; D113-F116 VanDerWaalsContact CG-CE2 3.49Å; D113-F116 VanDerWaalsContact OD1-CD2 3.25Å; D113-F116 WeakPolarHBondContact OD1-CD2 3.46Å; D113-F116 VanDerWaalsContact OD1-CE2 3.27Å; D113-F116 WeakPolarHBondContact OD1-CE2 3.36Å; D113-F116 WeakPolarHBondContact OD2-CE2 3.47Å; Q114-F116 PolarHBondContact O-N 2.91Å; Q114-F116 VanDerWaalsContact O-N 3.15Å |
| 117 | L | 85.2 | Confident | 86.1 | Confident | 24 Ų | 24 | 44 Ų | 44 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | trans | -110.6 | 71.2 | 179.8 | -59.1 | -174.2 | 0 | 0 | 0 | 110.8 | E95 I96 Q114 Y119 F134 Y138 | E95-L117 HydrophobicContact CB-CD2 4.42Å; I96-L117 HydrophobicContact CD1-CD2 4.11Å; I96-L117 HydrophobicContact CG1-CD2 3.62Å; Q114-L117 PolarHBondContact O-N 2.91Å; L117-Y119 VanDerWaalsContact C-N 3.3Å; L117-Y119 PolarHBondContact O-N 3.09Å; L117-F134 HydrophobicContact CD1-CE1 3.81Å; L117-F134 HydrophobicContact CD1-CZ 4.19Å; L117-Y138 HydrophobicContact CD1-CD2 4.3Å; L117-Y138 HydrophobicContact CD1-CE2 4.19Å | ||
| 118 | D | 85.7 | Confident | 85.8 | Confident | 49 Ų | 49 | 48.2 Ų | 48.2 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | trans | -70.2 | -23 | -175.1 | -62.1 | -32.1 | 0 | 0 | 0 | 114 | S92 Q120 P531 | S92-D118 PolarHBondContact OG-N 3.39Å; S92-D118 VanDerWaalsContact OG-N 3.1Å; D118-Q120 PolarHBondContact O-N 3.4Å; D118-P531 HydrophobicContact CB-CB 3.98Å; D118-P531 HydrophobicContact CB-CG 3.84Å; D118-P531 WeakPolarHBondContact OD1-CG 3.26Å | ||
| 119 | Y | 90.9 | Very high | 85.6 | Confident | 6 Ų | 6 | 51 Ų | 51 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -77.5 | 119.6 | 174.8 | -172.5 | -96.9 | 0 | 0 | 0 | 110.3 | L89 S92 L117 Y138 L142 N178 L179 | L89-Y119 HydrophobicContact CB-CD2 3.55Å; L89-Y119 HydrophobicContact CB-CE2 3.95Å; L89-Y119 HydrophobicContact CB-CG 4.04Å; L89-Y119 HydrophobicContact CD1-CD1 3.84Å; L89-Y119 HydrophobicContact CD1-CD2 4.01Å; L89-Y119 HydrophobicContact CD1-CE1 4.04Å; L89-Y119 HydrophobicContact CD1-CE2 4.18Å; L89-Y119 HydrophobicContact CD1-CG 3.82Å; L89-Y119 HydrophobicContact CD2-CE2 4.17Å; L89-Y119 HydrophobicContact CG-CD2 4.22Å; L89-Y119 HydrophobicContact CG-CE2 4.32Å; L89-Y119 HydrophobicContact CG-CG 4.48Å; S92-Y119 WeakPolarHBondContact OG-CB 3.48Å; S92-Y119 PolarHBondContact OG-N 3.1Å; L117-Y119 VanDerWaalsContact C-N 3.3Å; L117-Y119 PolarHBondContact O-N 3.09Å; Y119-Y138 PolarHBondContact O-OH 3.09Å; Y119-L142 HydrophobicContact CD1-CD1 4.05Å; Y119-L142 HydrophobicContact CE1-CD1 3.77Å; Y119-N178 PolarHBondContact OH-ND2 3.41Å; Y119-L179 PolarHBondContact OH-N 2.84Å |
| 120 | Q | 88.5 | Confident | 85.4 | Confident | 48 Ų | 48 | 53.9 Ų | 53.9 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 142.2 | -177 | -56.4 | -144.7 | 3.9 | 0 | 0 | 110.7 | D118 N177 N178 N535 | D118-Q120 PolarHBondContact O-N 3.4Å; Q120-N177 HydrophobicContact CB-CB 4.4Å; Q120-N177 HydrophobicContact CG-CB 4.42Å; Q120-N177 PolarHBondContact N-O 2.93Å; Q120-N177 VanDerWaalsContact O-O 3.07Å; Q120-N178 WeakPolarHBondContact O-CB 3.45Å; Q120-N178 PolarHBondContact O-ND2 2.88Å; Q120-N535 VanDerWaalsContact CD-ND2 3.27Å; Q120-N535 PolarHBondContact NE2-ND2 3.35Å; Q120-N535 PolarHBondContact NE2-OD1 3.26Å; Q120-N535 VanDerWaalsContact NE2-OD1 3.15Å; Q120-N535 PolarHBondContact OE1-ND2 3.23Å; Q120-N535 PolarHBondContact OE1-OD1 3.24Å |
| 121 | L | 93.7 | Very high | 85.4 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 145 | 173.2 | -61.8 | 170.6 | 0 | 0 | 0 | 109.7 | E123 V125 Y138 N141 L142 | L121-E123 WeakPolarHBondContact CB-O 3.48Å; L121-E123 PolarHBondContact O-N 2.88Å; L121-V125 HydrophobicContact CD1-CG2 4.15Å; L121-Y138 HydrophobicContact CD1-CD1 4.32Å; L121-Y138 HydrophobicContact CD1-CD2 3.44Å; L121-Y138 VanDerWaalsContact CD1-CD2 3.44Å; L121-Y138 HydrophobicContact CD1-CE1 4.49Å; L121-Y138 HydrophobicContact CD1-CE2 3.67Å; L121-Y138 HydrophobicContact CD1-CG 3.79Å; L121-Y138 HydrophobicContact CG-CD2 4.18Å; L121-Y138 HydrophobicContact CG-CE2 3.86Å; L121-N141 HydrophobicContact CD1-CB 3.81Å; L121-N141 HydrophobicContact CD2-CB 4.39Å; L121-L142 HydrophobicContact CD2-CB 3.87Å; L121-L142 HydrophobicContact CD2-CD1 4Å |
| 122 | A | 93.4 | Very high | 85.6 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -61 | -28 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E145 N178 F180 E181 I237 Q240 | A122-E145 WeakPolarHBondContact CB-OE1 3.49Å; A122-E145 PolarHBondContact N-OE1 3.4Å; A122-N178 PolarHBondContact N-ND2 2.9Å; A122-F180 HydrophobicContact CB-CD1 3.96Å; A122-F180 HydrophobicContact CB-CE1 4.15Å; A122-E181 HydrophobicContact CB-CB 4.41Å; A122-I237 HydrophobicContact CB-CD1 3.68Å; A122-I237 HydrophobicContact CB-CG1 4.34Å; A122-I237 HydrophobicContact CB-CG2 4.48Å; A122-Q240 PolarHBondContact O-OE1 3.26Å |
| 123 | E | 90.8 | Very high | 86.1 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -117.5 | 101.8 | 161.8 | -177.4 | -166.7 | -131.3 | 0 | 0 | 109.5 | L121 R137 N141 Y233 R236 I237 | L121-E123 WeakPolarHBondContact CB-O 3.48Å; L121-E123 PolarHBondContact O-N 2.88Å; E123-R137 VanDerWaalsContact CD-NH2 3.26Å; E123-R137 IonicContact OE1-NH2 3.94Å; E123-R137 PolarHBondContact OE1-NH2 3.28Å; E123-R137 IonicContact OE2-CZ 3.64Å; E123-R137 IonicContact OE2-NE 2.75Å; E123-R137 IonicContact OE2-NH2 2.67Å; E123-R137 PolarHBondContact OE2-NH2 3.39Å; E123-N141 PolarHBondContact O-ND2 3.29Å; E123-N141 PolarHBondContact OE2-ND2 2.63Å; E123-Y233 HydrophobicContact CB-CE2 3.83Å; E123-Y233 PolarHBondContact N-OH 2.74Å; E123-Y233 VanDerWaalsContact N-OH 3.14Å; E123-R236 IonicContact OE1-CZ 3.06Å; E123-R236 IonicContact OE1-NE 3.57Å; E123-R236 PolarHBondContact OE1-NE 3.48Å; E123-R236 IonicContact OE1-NH2 3.96Å; E123-R236 IonicContact OE2-CZ 2.79Å; E123-R236 IonicContact OE2-NE 2.79Å; E123-R236 IonicContact OE2-NH2 3.84Å; E123-R236 PolarHBondContact OE2-NH2 3.15Å; E123-I237 HydrophobicContact CB-CD1 3.76Å |
| 124 | A | 90.2 | Very high | 87 | Confident | 72 Ų | 72 | 44.7 Ų | 44.7 | 60% | 0.595 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 149.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 125 | V | 89.7 | Confident | 88.2 | Confident | 20 Ų | 20 | 42.1 Ų | 42.1 | 12% | 0.121 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -73 | 128.8 | 175.6 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | L121 A127 F129 F134 R137 Y138 | L121-V125 HydrophobicContact CD1-CG2 4.15Å; V125-A127 PolarHBondContact O-N 3.43Å; V125-F129 HydrophobicContact CG1-CB 3.84Å; V125-F129 HydrophobicContact CG1-CD1 4.34Å; V125-F129 HydrophobicContact CG1-CG 4.06Å; V125-F134 HydrophobicContact CB-CD2 3.98Å; V125-F134 HydrophobicContact CB-CE2 3.72Å; V125-F134 HydrophobicContact CB-CZ 4.44Å; V125-F134 HydrophobicContact CG1-CD2 3.51Å; V125-F134 HydrophobicContact CG1-CE2 3.82Å; V125-F134 HydrophobicContact CG1-CG 4.24Å; V125-F134 HydrophobicContact CG2-CE2 4.18Å; V125-F134 HydrophobicContact CG2-CZ 4.45Å; V125-R137 HydrophobicContact CB-CG 4.44Å; V125-R137 HydrophobicContact CG1-CB 3.98Å; V125-R137 HydrophobicContact CG1-CG 3.93Å; V125-R137 HydrophobicContact CG2-CB 4.38Å; V125-R137 HydrophobicContact CG2-CG 4.11Å; V125-Y138 HydrophobicContact CG2-CD2 3.98Å; V125-Y138 HydrophobicContact CG2-CG 4.36Å |
| 126 | P | 87 | Confident | 89.9 | Confident | 57 Ų | 57 | 41.6 Ų | 41.6 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 132.5 | 179.7 | -23.5 | 33.5 | 0 | 0 | 0 | 112 | N128 F129 | P126-N128 WeakPolarHBondContact CB-OD1 3.37Å; P126-N128 PolarHBondContact O-N 3.17Å; P126-F129 HydrophobicContact CB-CD2 3.83Å; P126-F129 HydrophobicContact CB-CE2 3.95Å; P126-F129 HydrophobicContact CG-CD2 4.14Å; P126-F129 HydrophobicContact CG-CE2 3.88Å; P126-F129 WeakPolarHBondContact O-CB 3.36Å; P126-F129 WeakPolarHBondContact O-CD2 3.05Å; P126-F129 PolarHBondContact O-N 2.93Å |
| 127 | A | 83 | Confident | 91 | Very high | 93 Ų | 93 | 39.4 Ų | 39.4 | 77% | 0.769 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -12.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V125 F129 | V125-A127 PolarHBondContact O-N 3.43Å; A127-F129 VanDerWaalsContact C-N 3.31Å |
| 128 | N | 85.3 | Confident | 91.5 | Very high | 125 Ų | 125 | 38.9 Ų | 38.9 | 67% | 0.668 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | 0.6 | 174.4 | 73.5 | -88.1 | 0 | 0 | 0 | 114 | P126 | P126-N128 WeakPolarHBondContact CB-OD1 3.37Å; P126-N128 PolarHBondContact O-N 3.17Å |
| 129 | F | 89.3 | Confident | 92 | Very high | 64 Ų | 64 | 36.5 Ų | 36.5 | 28% | 0.281 | 21% | 0.213 | S | C | . | . | trans | -86.6 | 134.4 | 175 | -78.8 | -121.9 | 0 | 0 | 0 | 109.5 | V125 P126 A127 D133 F134 R137 | V125-F129 HydrophobicContact CG1-CB 3.84Å; V125-F129 HydrophobicContact CG1-CD1 4.34Å; V125-F129 HydrophobicContact CG1-CG 4.06Å; P126-F129 HydrophobicContact CB-CD2 3.83Å; P126-F129 HydrophobicContact CB-CE2 3.95Å; P126-F129 HydrophobicContact CG-CD2 4.14Å; P126-F129 HydrophobicContact CG-CE2 3.88Å; P126-F129 WeakPolarHBondContact O-CB 3.36Å; P126-F129 WeakPolarHBondContact O-CD2 3.05Å; P126-F129 PolarHBondContact O-N 2.93Å; A127-F129 VanDerWaalsContact C-N 3.31Å; F129-D133 HydrophobicContact CD1-CB 4.16Å; F129-D133 WeakPolarHBondContact CD1-O 3.23Å; F129-F134 HydrophobicContact CB-CB 4.11Å; F129-F134 HydrophobicContact CB-CD2 4.39Å; F129-R137 HydrophobicContact CD1-CB 4.04Å; F129-R137 HydrophobicContact CE1-CB 4.06Å; F129-R137 HydrophobicContact CE1-CG 4.37Å | ||
| 130 | V | 91.6 | Very high | 92.3 | Very high | 60 Ų | 60 | 40.8 Ų | 40.8 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | trans | -138.4 | 154.9 | -172.9 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | F42 A110 L132 D133 | F42-V130 HydrophobicContact CD2-CG2 3.77Å; F42-V130 HydrophobicContact CE2-CG2 4.05Å; F42-V130 VanDerWaalsContact CE2-O 3.24Å; F42-V130 WeakPolarHBondContact CE2-O 3.24Å; A110-V130 HydrophobicContact CB-CB 4.47Å; A110-V130 HydrophobicContact CB-CG2 4.35Å; A110-V130 WeakPolarHBondContact O-CB 3.08Å; V130-L132 PolarHBondContact O-N 3.24Å; V130-D133 WeakPolarHBondContact O-CB 3.35Å; V130-D133 PolarHBondContact O-N 3.01Å | ||
| 131 | G | 92.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | 50 | -137.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A109 A110 E111 D133 F134 Y135 | A109-G131 WeakPolarHBondContact O-CA 3.45Å; A110-G131 PolarHBondContact O-N 3.23Å; E111-G131 WeakPolarHBondContact O-CA 3.28Å; G131-D133 PolarHBondContact O-N 3.32Å; G131-D133 VanDerWaalsContact O-N 3.17Å; G131-F134 WeakPolarHBondContact O-CB 3.45Å; G131-F134 PolarHBondContact O-N 3.34Å; G131-Y135 WeakPolarHBondContact O-CD2 3.32Å; G131-Y135 PolarHBondContact O-N 3.49Å |
| 132 | L | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -24.9 | -179 | -165.3 | 64.7 | 0 | 0 | 0 | 113.9 | F42 L63 R66 F67 L70 F99 V130 F134 E136 | F42-L132 HydrophobicContact CE1-CB 4.34Å; F42-L132 HydrophobicContact CZ-CB 4.25Å; L63-L132 HydrophobicContact CB-CD2 4.44Å; L63-L132 HydrophobicContact CD2-CB 4.18Å; L63-L132 HydrophobicContact CD2-CD2 3.75Å; L63-L132 WeakPolarHBondContact O-CD2 3.47Å; R66-L132 HydrophobicContact CB-CD2 3.48Å; R66-L132 VanDerWaalsContact CB-CD2 3.48Å; F67-L132 HydrophobicContact CB-CD1 4.45Å; F67-L132 HydrophobicContact CB-CD2 4.29Å; F67-L132 HydrophobicContact CD2-CD1 4.12Å; L70-L132 HydrophobicContact CD2-CD1 3.49Å; L70-L132 VanDerWaalsContact CD2-CD1 3.49Å; F99-L132 HydrophobicContact CE1-CD1 4.21Å; F99-L132 HydrophobicContact CZ-CD1 3.91Å; V130-L132 PolarHBondContact O-N 3.24Å; L132-F134 VanDerWaalsContact C-N 3.3Å; L132-F134 PolarHBondContact O-N 3.46Å; L132-E136 HydrophobicContact CG-CG 4.47Å; L132-E136 WeakPolarHBondContact O-CB 3.44Å; L132-E136 WeakPolarHBondContact O-CG 3.33Å; L132-E136 PolarHBondContact O-N 3.06Å |
| 133 | D | 95.4 | Very high | 93.1 | Very high | 25 Ų | 25 | 37.5 Ų | 37.5 | 13% | 0.134 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | 175.2 | -68.6 | -4.8 | 0 | 0 | 0 | 109.8 | F42 K45 R66 F129 V130 G131 R137 | F42-D133 HydrophobicContact CE2-CB 4.11Å; F42-D133 WeakPolarHBondContact CE2-OD2 3.3Å; F42-D133 HydrophobicContact CZ-CB 4.34Å; K45-D133 IonicContact NZ-OD2 2.73Å; K45-D133 PolarHBondContact NZ-OD2 3.48Å; R66-D133 IonicContact CZ-OD1 2.68Å; R66-D133 VanDerWaalsContact CZ-OD1 3.27Å; R66-D133 IonicContact NH1-OD1 3.3Å; R66-D133 PolarHBondContact NH1-OD1 3.17Å; R66-D133 IonicContact NH2-OD1 2.78Å; R66-D133 PolarHBondContact NH2-OD1 3.47Å; F129-D133 HydrophobicContact CD1-CB 4.16Å; F129-D133 WeakPolarHBondContact CD1-O 3.23Å; V130-D133 WeakPolarHBondContact O-CB 3.35Å; V130-D133 PolarHBondContact O-N 3.01Å; G131-D133 PolarHBondContact O-N 3.32Å; G131-D133 VanDerWaalsContact O-N 3.17Å; D133-R137 PolarHBondContact O-N 2.97Å |
| 134 | F | 94.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -55.4 | 177.2 | 176.1 | -85.8 | 0 | 0 | 0 | 111.9 | V112 Q114 L117 V125 F129 G131 L132 E136 R137 Y138 | V112-F134 HydrophobicContact CB-CG 4.48Å; V112-F134 HydrophobicContact CG1-CB 4.2Å; V112-F134 HydrophobicContact CG1-CD1 3.28Å; V112-F134 HydrophobicContact CG1-CD2 4.01Å; V112-F134 HydrophobicContact CG1-CE1 3.53Å; V112-F134 HydrophobicContact CG1-CE2 4.22Å; V112-F134 HydrophobicContact CG1-CG 3.56Å; V112-F134 HydrophobicContact CG1-CZ 4Å; V112-F134 HydrophobicContact CG2-CB 3.78Å; V112-F134 HydrophobicContact CG2-CD1 4.41Å; V112-F134 HydrophobicContact CG2-CG 4.05Å; Q114-F134 HydrophobicContact CG-CE2 4.04Å; Q114-F134 HydrophobicContact CG-CZ 3.9Å; L117-F134 HydrophobicContact CD1-CE1 3.81Å; L117-F134 HydrophobicContact CD1-CZ 4.19Å; V125-F134 HydrophobicContact CB-CD2 3.98Å; V125-F134 HydrophobicContact CB-CE2 3.72Å; V125-F134 HydrophobicContact CB-CZ 4.44Å; V125-F134 HydrophobicContact CG1-CD2 3.51Å; V125-F134 HydrophobicContact CG1-CE2 3.82Å; V125-F134 HydrophobicContact CG1-CG 4.24Å; V125-F134 HydrophobicContact CG2-CE2 4.18Å; V125-F134 HydrophobicContact CG2-CZ 4.45Å; F129-F134 HydrophobicContact CB-CB 4.11Å; F129-F134 HydrophobicContact CB-CD2 4.39Å; G131-F134 WeakPolarHBondContact O-CB 3.45Å; G131-F134 PolarHBondContact O-N 3.34Å; L132-F134 VanDerWaalsContact C-N 3.3Å; L132-F134 PolarHBondContact O-N 3.46Å; F134-E136 VanDerWaalsContact C-N 3.29Å; F134-E136 PolarHBondContact O-N 3.49Å; F134-R137 PolarHBondContact O-N 3.33Å; F134-Y138 HydrophobicContact CE1-CD2 4.34Å; F134-Y138 HydrophobicContact CZ-CD2 4.24Å; F134-Y138 PolarHBondContact O-N 3.45Å |
| 135 | Y | 95.5 | Very high | 93.9 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.5 | -32.4 | -176.5 | -68.6 | -86.3 | 0 | 0 | 0 | 112.1 | F99 V112 D113 G131 L139 | F99-Y135 HydrophobicContact CB-CE1 4.02Å; F99-Y135 HydrophobicContact CD1-CD1 4.1Å; F99-Y135 HydrophobicContact CD1-CD2 4.33Å; F99-Y135 HydrophobicContact CD1-CE1 4.4Å; F99-Y135 HydrophobicContact CD1-CG 4.07Å; F99-Y135 HydrophobicContact CD2-CD1 4.34Å; F99-Y135 AromaticContact CD2-CD2 3.67Å; F99-Y135 HydrophobicContact CD2-CD2 3.67Å; F99-Y135 HydrophobicContact CD2-CE1 4.04Å; F99-Y135 AromaticContact CD2-CE2 3.33Å; F99-Y135 HydrophobicContact CD2-CE2 3.33Å; F99-Y135 HydrophobicContact CD2-CG 4.17Å; F99-Y135 AromaticContact CD2-CZ 3.53Å; F99-Y135 HydrophobicContact CE1-CD1 4.44Å; F99-Y135 HydrophobicContact CE1-CD2 4.07Å; F99-Y135 AromaticContact CE1-CG 3.95Å; F99-Y135 HydrophobicContact CE1-CG 3.95Å; F99-Y135 AromaticContact CE2-CD2 3.35Å; F99-Y135 HydrophobicContact CE2-CD2 3.35Å; F99-Y135 AromaticContact CE2-CE2 3.38Å; F99-Y135 HydrophobicContact CE2-CE2 3.38Å; F99-Y135 HydrophobicContact CE2-CG 4.04Å; F99-Y135 HydrophobicContact CG-CD1 4.05Å; F99-Y135 HydrophobicContact CG-CD2 4.15Å; F99-Y135 AromaticContact CG-CE1 3.89Å; F99-Y135 HydrophobicContact CG-CE1 3.89Å; F99-Y135 HydrophobicContact CG-CE2 4Å; F99-Y135 HydrophobicContact CG-CG 4.18Å; F99-Y135 AromaticContact CG-CZ 3.87Å; F99-Y135 AromaticContact CZ-CD2 3.58Å; F99-Y135 HydrophobicContact CZ-CD2 3.58Å; F99-Y135 HydrophobicContact CZ-CE2 4.1Å; F99-Y135 AromaticContact CZ-CG 3.93Å; F99-Y135 HydrophobicContact CZ-CG 3.93Å; V112-Y135 HydrophobicContact CB-CE2 4.47Å; V112-Y135 HydrophobicContact CG1-CE2 4Å; D113-Y135 PolarHBondContact N-OH 3.08Å; D113-Y135 VanDerWaalsContact N-OH 3.13Å; G131-Y135 WeakPolarHBondContact O-CD2 3.32Å; G131-Y135 PolarHBondContact O-N 3.49Å; Y135-L139 WeakPolarHBondContact O-CB 3.4Å; Y135-L139 PolarHBondContact O-N 3.04Å |
| 136 | E | 96.8 | Very high | 94.2 | Very high | 39 Ų | 39 | 32.3 Ų | 32.3 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | 169.4 | -83.3 | -173.4 | -176.9 | 0 | 0 | 112.2 | R66 L70 L132 F134 Q140 | R66-E136 VanDerWaalsContact CB-OE1 3.32Å; R66-E136 WeakPolarHBondContact CB-OE1 3.46Å; R66-E136 IonicContact CZ-OE1 3.5Å; R66-E136 IonicContact CZ-OE2 3.25Å; R66-E136 IonicContact NE-OE1 3.51Å; R66-E136 PolarHBondContact NE-OE1 3.48Å; R66-E136 IonicContact NE-OE2 2.77Å; R66-E136 PolarHBondContact NE-OE2 3.43Å; R66-E136 IonicContact NH2-OE1 3.84Å; R66-E136 PolarHBondContact NH2-OE1 3.04Å; R66-E136 IonicContact NH2-OE2 3.5Å; R66-E136 PolarHBondContact NH2-OE2 3.08Å; L70-E136 HydrophobicContact CD1-CB 4.46Å; L70-E136 HydrophobicContact CD1-CG 4.04Å; L70-E136 HydrophobicContact CD2-CG 4.04Å; L70-E136 HydrophobicContact CG-CG 4.47Å; L132-E136 HydrophobicContact CG-CG 4.47Å; L132-E136 WeakPolarHBondContact O-CB 3.44Å; L132-E136 WeakPolarHBondContact O-CG 3.33Å; L132-E136 PolarHBondContact O-N 3.06Å; F134-E136 VanDerWaalsContact C-N 3.29Å; F134-E136 PolarHBondContact O-N 3.49Å; E136-Q140 VanDerWaalsContact O-CB 3.24Å; E136-Q140 WeakPolarHBondContact O-CB 3.5Å; E136-Q140 VanDerWaalsContact O-CD 3.26Å; E136-Q140 WeakPolarHBondContact O-CG 3.48Å; E136-Q140 PolarHBondContact O-N 3.35Å |
| 137 | R | 95.9 | Very high | 94.7 | Very high | 60 Ų | 60 | 32.7 Ų | 32.7 | 23% | 0.226 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.3 | -43.4 | 179.2 | -177.9 | 53.1 | 174 | -153.7 | -2.9 | 111.8 | E123 V125 F129 D133 F134 Q140 N141 R236 | E123-R137 VanDerWaalsContact CD-NH2 3.26Å; E123-R137 IonicContact OE1-NH2 3.94Å; E123-R137 PolarHBondContact OE1-NH2 3.28Å; E123-R137 IonicContact OE2-CZ 3.64Å; E123-R137 IonicContact OE2-NE 2.75Å; E123-R137 IonicContact OE2-NH2 2.67Å; E123-R137 PolarHBondContact OE2-NH2 3.39Å; V125-R137 HydrophobicContact CB-CG 4.44Å; V125-R137 HydrophobicContact CG1-CB 3.98Å; V125-R137 HydrophobicContact CG1-CG 3.93Å; V125-R137 HydrophobicContact CG2-CB 4.38Å; V125-R137 HydrophobicContact CG2-CG 4.11Å; F129-R137 HydrophobicContact CD1-CB 4.04Å; F129-R137 HydrophobicContact CE1-CB 4.06Å; F129-R137 HydrophobicContact CE1-CG 4.37Å; D133-R137 PolarHBondContact O-N 2.97Å; F134-R137 PolarHBondContact O-N 3.33Å; R137-Q140 PolarHBondContact O-N 2.95Å; R137-N141 PolarHBondContact NE-ND2 3.26Å; R137-N141 PolarHBondContact NE-OD1 3.09Å; R137-N141 WeakPolarHBondContact O-CB 3.4Å; R137-N141 PolarHBondContact O-N 3.45Å; R137-N141 VanDerWaalsContact O-N 3.08Å; R137-R236 VanDerWaalsContact NH2-NH2 3.17Å |
| 138 | Y | 96 | Very high | 95.4 | Very high | 12 Ų | 12 | 29 Ų | 29 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.3 | -53.6 | 178.1 | -169.9 | -81.4 | 0 | 0 | 0 | 110.7 | I96 L117 Y119 L121 V125 F134 Q140 N141 L142 | I96-Y138 HydrophobicContact CD1-CD1 3.74Å; I96-Y138 HydrophobicContact CD1-CE1 3.43Å; I96-Y138 VanDerWaalsContact CD1-CE1 3.43Å; L117-Y138 HydrophobicContact CD1-CD2 4.3Å; L117-Y138 HydrophobicContact CD1-CE2 4.19Å; Y119-Y138 PolarHBondContact O-OH 3.09Å; L121-Y138 HydrophobicContact CD1-CD1 4.32Å; L121-Y138 HydrophobicContact CD1-CD2 3.44Å; L121-Y138 VanDerWaalsContact CD1-CD2 3.44Å; L121-Y138 HydrophobicContact CD1-CE1 4.49Å; L121-Y138 HydrophobicContact CD1-CE2 3.67Å; L121-Y138 HydrophobicContact CD1-CG 3.79Å; L121-Y138 HydrophobicContact CG-CD2 4.18Å; L121-Y138 HydrophobicContact CG-CE2 3.86Å; V125-Y138 HydrophobicContact CG2-CD2 3.98Å; V125-Y138 HydrophobicContact CG2-CG 4.36Å; F134-Y138 HydrophobicContact CE1-CD2 4.34Å; F134-Y138 HydrophobicContact CZ-CD2 4.24Å; F134-Y138 PolarHBondContact O-N 3.45Å; Y138-Q140 PolarHBondContact O-N 2.85Å; Y138-N141 PolarHBondContact O-N 3.46Å; Y138-L142 HydrophobicContact CE1-CB 4.45Å; Y138-L142 HydrophobicContact CE1-CD2 4.07Å; Y138-L142 WeakPolarHBondContact O-CB 3.48Å; Y138-L142 PolarHBondContact O-N 2.92Å |
| 139 | L | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -72 | -26.8 | -177.7 | -72.9 | 168.5 | 0 | 0 | 0 | 113.7 | L70 L73 Y74 I77 I96 F100 Y135 L142 A143 | L70-L139 HydrophobicContact CD1-CB 3.86Å; L70-L139 HydrophobicContact CD1-CD1 3.56Å; L70-L139 HydrophobicContact CD1-CG 4.34Å; L70-L139 HydrophobicContact CD2-CD1 4.25Å; L70-L139 HydrophobicContact CG-CD1 3.76Å; L73-L139 HydrophobicContact CD2-CB 4.17Å; Y74-L139 HydrophobicContact CD2-CD2 4.11Å; I77-L139 HydrophobicContact CD1-CB 4.34Å; I77-L139 HydrophobicContact CD1-CD2 3.6Å; I96-L139 HydrophobicContact CD1-CD2 4.24Å; I96-L139 HydrophobicContact CG2-CD1 3.94Å; I96-L139 HydrophobicContact CG2-CD2 4.12Å; I96-L139 HydrophobicContact CG2-CG 4.34Å; F100-L139 HydrophobicContact CE2-CD1 4.37Å; F100-L139 HydrophobicContact CZ-CD1 3.97Å; Y135-L139 WeakPolarHBondContact O-CB 3.4Å; Y135-L139 PolarHBondContact O-N 3.04Å; L139-L142 HydrophobicContact CD2-CD2 4.32Å; L139-A143 WeakPolarHBondContact O-CB 3.35Å; L139-A143 PolarHBondContact O-N 3.19Å |
| 140 | Q | 97.3 | Very high | 96.3 | Very high | 96 Ų | 96 | 22.5 Ų | 22.5 | 45% | 0.449 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -66.7 | -42.2 | 171 | -77.6 | 166.6 | 20.1 | 0 | 0 | 112 | L73 E136 R137 Y138 A144 | L73-Q140 HydrophobicContact CD2-CG 4.23Å; E136-Q140 VanDerWaalsContact O-CB 3.24Å; E136-Q140 WeakPolarHBondContact O-CB 3.5Å; E136-Q140 VanDerWaalsContact O-CD 3.26Å; E136-Q140 WeakPolarHBondContact O-CG 3.48Å; E136-Q140 PolarHBondContact O-N 3.35Å; R137-Q140 PolarHBondContact O-N 2.95Å; Y138-Q140 PolarHBondContact O-N 2.85Å; Q140-A144 PolarHBondContact O-N 3.05Å |
| 141 | N | 97.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.6 | -50.7 | 175.5 | -76.5 | 11.1 | 0 | 0 | 0 | 109.9 | L121 E123 R137 Y138 A143 A144 E145 Y233 | L121-N141 HydrophobicContact CD1-CB 3.81Å; L121-N141 HydrophobicContact CD2-CB 4.39Å; E123-N141 PolarHBondContact O-ND2 3.29Å; E123-N141 PolarHBondContact OE2-ND2 2.63Å; R137-N141 PolarHBondContact NE-ND2 3.26Å; R137-N141 PolarHBondContact NE-OD1 3.09Å; R137-N141 WeakPolarHBondContact O-CB 3.4Å; R137-N141 PolarHBondContact O-N 3.45Å; R137-N141 VanDerWaalsContact O-N 3.08Å; Y138-N141 PolarHBondContact O-N 3.46Å; N141-A143 VanDerWaalsContact C-N 3.29Å; N141-A143 PolarHBondContact O-N 3.13Å; N141-A144 WeakPolarHBondContact O-CB 3.45Å; N141-A144 PolarHBondContact O-N 3.48Å; N141-E145 WeakPolarHBondContact O-CG 3.42Å; N141-E145 PolarHBondContact O-N 2.97Å; N141-E145 VanDerWaalsContact O-N 3.11Å; N141-Y233 HydrophobicContact CB-CD2 4.32Å; N141-Y233 HydrophobicContact CB-CE2 3.64Å |
| 142 | L | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58 | -37.9 | 176.8 | -171.3 | 62.8 | 0 | 0 | 0 | 112.8 | I77 L89 L93 Y119 L121 Y138 L139 A144 E145 V146 | I77-L142 HydrophobicContact CG2-CD2 4.26Å; L89-L142 HydrophobicContact CD1-CD1 4.22Å; L93-L142 HydrophobicContact CD2-CD2 3.81Å; Y119-L142 HydrophobicContact CD1-CD1 4.05Å; Y119-L142 HydrophobicContact CE1-CD1 3.77Å; L121-L142 HydrophobicContact CD2-CB 3.87Å; L121-L142 HydrophobicContact CD2-CD1 4Å; Y138-L142 HydrophobicContact CE1-CB 4.45Å; Y138-L142 HydrophobicContact CE1-CD2 4.07Å; Y138-L142 WeakPolarHBondContact O-CB 3.48Å; Y138-L142 PolarHBondContact O-N 2.92Å; L139-L142 HydrophobicContact CD2-CD2 4.32Å; L142-A144 VanDerWaalsContact C-N 3.35Å; L142-A144 PolarHBondContact O-N 3.23Å; L142-E145 PolarHBondContact O-N 3.35Å; L142-V146 HydrophobicContact CD1-CG2 4.07Å; L142-V146 HydrophobicContact CG-CG2 4.12Å; L142-V146 WeakPolarHBondContact O-CB 3.47Å; L142-V146 WeakPolarHBondContact O-CG2 3.33Å; L142-V146 PolarHBondContact O-N 2.72Å |
| 143 | A | 97.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L73 I77 L139 N141 E145 F147 | L73-A143 HydrophobicContact CD1-CB 3.84Å; L73-A143 HydrophobicContact CD2-CB 4.42Å; L73-A143 HydrophobicContact CG-CB 4.34Å; I77-A143 HydrophobicContact CD1-CB 4.03Å; I77-A143 HydrophobicContact CG1-CB 4.12Å; L139-A143 WeakPolarHBondContact O-CB 3.35Å; L139-A143 PolarHBondContact O-N 3.19Å; N141-A143 VanDerWaalsContact C-N 3.29Å; N141-A143 PolarHBondContact O-N 3.13Å; A143-E145 VanDerWaalsContact C-N 3.32Å; A143-F147 HydrophobicContact CB-CD2 4.2Å; A143-F147 HydrophobicContact CB-CE2 3.77Å; A143-F147 HydrophobicContact CB-CZ 4.27Å; A143-F147 VanDerWaalsContact O-CB 3.24Å; A143-F147 WeakPolarHBondContact O-CB 3.1Å; A143-F147 WeakPolarHBondContact O-CD2 3.3Å; A143-F147 WeakPolarHBondContact O-CG 3.34Å; A143-F147 PolarHBondContact O-N 2.96Å |
| 144 | A | 98 | Very high | 96.5 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q140 N141 L142 F148 N231 Y233 Y234 | Q140-A144 PolarHBondContact O-N 3.05Å; N141-A144 WeakPolarHBondContact O-CB 3.45Å; N141-A144 PolarHBondContact O-N 3.48Å; L142-A144 VanDerWaalsContact C-N 3.35Å; L142-A144 PolarHBondContact O-N 3.23Å; A144-F148 VanDerWaalsContact O-CB 3.28Å; A144-F148 WeakPolarHBondContact O-CB 3.27Å; A144-F148 PolarHBondContact O-N 3.3Å; A144-N231 VanDerWaalsContact CB-ND2 3.35Å; A144-N231 WeakPolarHBondContact CB-ND2 3.23Å; A144-Y233 HydrophobicContact CB-CD1 3.57Å; A144-Y233 HydrophobicContact CB-CD2 4.45Å; A144-Y233 HydrophobicContact CB-CE1 4.28Å; A144-Y233 HydrophobicContact CB-CG 3.67Å; A144-Y234 HydrophobicContact CB-CE1 4.11Å; A144-Y234 WeakPolarHBondContact O-CE1 3.42Å; A144-Y234 PolarHBondContact O-OH 2.99Å |
| 145 | E | 98 | Very high | 96.5 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.7 | -53.4 | 178 | -64.5 | -168.9 | 178.6 | 0 | 0 | 112.7 | A122 N141 L142 A143 F147 F148 I149 N178 F180 Y233 | A122-E145 WeakPolarHBondContact CB-OE1 3.49Å; A122-E145 PolarHBondContact N-OE1 3.4Å; N141-E145 WeakPolarHBondContact O-CG 3.42Å; N141-E145 PolarHBondContact O-N 2.97Å; N141-E145 VanDerWaalsContact O-N 3.11Å; L142-E145 PolarHBondContact O-N 3.35Å; A143-E145 VanDerWaalsContact C-N 3.32Å; E145-F147 PolarHBondContact O-N 3.48Å; E145-F148 WeakPolarHBondContact O-CB 3.33Å; E145-F148 PolarHBondContact O-N 3.22Å; E145-I149 WeakPolarHBondContact O-CG1 3.43Å; E145-I149 PolarHBondContact O-N 2.78Å; E145-N178 VanDerWaalsContact CD-ND2 3.31Å; E145-N178 PolarHBondContact OE1-ND2 3.48Å; E145-N178 PolarHBondContact OE2-ND2 3.47Å; E145-F180 HydrophobicContact CB-CB 3.6Å; E145-F180 HydrophobicContact CB-CD1 4.34Å; E145-F180 HydrophobicContact CB-CD2 4.04Å; E145-F180 HydrophobicContact CB-CG 3.74Å; E145-F180 HydrophobicContact CG-CB 3.74Å; E145-F180 HydrophobicContact CG-CD1 3.61Å; E145-F180 HydrophobicContact CG-CD2 4.08Å; E145-F180 HydrophobicContact CG-CE1 4.22Å; E145-F180 HydrophobicContact CG-CG 3.53Å; E145-Y233 HydrophobicContact CG-CE1 3.61Å; E145-Y233 PolarHBondContact OE1-OH 2.71Å |
| 146 | V | 97.5 | Very high | 96.4 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 6% | 0.055 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | -179.1 | 162.5 | 0 | 0 | 0 | 0 | 111.6 | I77 L142 F148 I149 A150 | I77-V146 HydrophobicContact CG2-CB 4.49Å; I77-V146 HydrophobicContact CG2-CG1 4.3Å; I77-V146 HydrophobicContact CG2-CG2 4.14Å; L142-V146 HydrophobicContact CD1-CG2 4.07Å; L142-V146 HydrophobicContact CG-CG2 4.12Å; L142-V146 WeakPolarHBondContact O-CB 3.47Å; L142-V146 WeakPolarHBondContact O-CG2 3.33Å; L142-V146 PolarHBondContact O-N 2.72Å; V146-F148 VanDerWaalsContact C-N 3.33Å; V146-F148 PolarHBondContact O-N 2.82Å; V146-I149 PolarHBondContact O-N 3.48Å; V146-A150 WeakPolarHBondContact O-CB 3.3Å; V146-A150 PolarHBondContact O-N 3.32Å |
| 147 | F | 97.2 | Very high | 96.4 | Very high | 65 Ų | 65 | 37.6 Ų | 37.6 | 29% | 0.285 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -71.7 | -27.4 | 178.8 | -58.4 | -27.7 | 0 | 0 | 0 | 112.4 | K76 I77 A143 E145 N151 | K76-F147 HydrophobicContact CB-CE1 4.47Å; K76-F147 HydrophobicContact CB-CZ 3.98Å; I77-F147 HydrophobicContact CG1-CZ 4.46Å; A143-F147 HydrophobicContact CB-CD2 4.2Å; A143-F147 HydrophobicContact CB-CE2 3.77Å; A143-F147 HydrophobicContact CB-CZ 4.27Å; A143-F147 VanDerWaalsContact O-CB 3.24Å; A143-F147 WeakPolarHBondContact O-CB 3.1Å; A143-F147 WeakPolarHBondContact O-CD2 3.3Å; A143-F147 WeakPolarHBondContact O-CG 3.34Å; A143-F147 PolarHBondContact O-N 2.96Å; E145-F147 PolarHBondContact O-N 3.48Å; F147-N151 PolarHBondContact O-ND2 3.22Å |
| 148 | F | 97.2 | Very high | 96.3 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -50.9 | 169 | -179.5 | -93 | 0 | 0 | 0 | 111.1 | A144 E145 V146 A150 N151 F180 V183 F184 V187 L227 Y234 | A144-F148 VanDerWaalsContact O-CB 3.28Å; A144-F148 WeakPolarHBondContact O-CB 3.27Å; A144-F148 PolarHBondContact O-N 3.3Å; E145-F148 WeakPolarHBondContact O-CB 3.33Å; E145-F148 PolarHBondContact O-N 3.22Å; V146-F148 VanDerWaalsContact C-N 3.33Å; V146-F148 PolarHBondContact O-N 2.82Å; F148-A150 VanDerWaalsContact C-N 3.34Å; F148-A150 PolarHBondContact O-N 3.47Å; F148-N151 PolarHBondContact O-N 2.84Å; F148-N151 VanDerWaalsContact O-N 3.15Å; F148-F180 HydrophobicContact CB-CD2 3.88Å; F148-F180 HydrophobicContact CB-CE2 3.75Å; F148-F180 AromaticContact CD1-CD2 3.54Å; F148-F180 HydrophobicContact CD1-CD2 3.54Å; F148-F180 AromaticContact CD1-CE2 3.56Å; F148-F180 HydrophobicContact CD1-CE2 3.56Å; F148-F180 HydrophobicContact CD2-CE2 4.22Å; F148-F180 HydrophobicContact CE1-CD2 4.28Å; F148-F180 HydrophobicContact CE1-CE2 4.15Å; F148-F180 AromaticContact CG-CD2 3.9Å; F148-F180 HydrophobicContact CG-CD2 3.9Å; F148-F180 AromaticContact CG-CE2 3.58Å; F148-F180 HydrophobicContact CG-CE2 3.58Å; F148-V183 HydrophobicContact CE1-CG1 4.13Å; F148-F184 HydrophobicContact CD2-CD2 4.44Å; F148-F184 HydrophobicContact CE1-CB 4.06Å; F148-F184 HydrophobicContact CE1-CD2 4.05Å; F148-F184 AromaticContact CE2-CD2 3.88Å; F148-F184 HydrophobicContact CE2-CD2 3.88Å; F148-F184 HydrophobicContact CE2-CE2 4.34Å; F148-F184 HydrophobicContact CZ-CB 4.33Å; F148-F184 AromaticContact CZ-CD2 3.65Å; F148-F184 HydrophobicContact CZ-CD2 3.65Å; F148-F184 HydrophobicContact CZ-CE2 4.47Å; F148-F184 HydrophobicContact CZ-CG 4.42Å; F148-V187 HydrophobicContact CE1-CG2 4.23Å; F148-V187 HydrophobicContact CE2-CG1 4.41Å; F148-V187 HydrophobicContact CZ-CB 3.86Å; F148-V187 HydrophobicContact CZ-CG1 3.84Å; F148-V187 HydrophobicContact CZ-CG2 3.89Å; F148-L227 HydrophobicContact CD2-CD1 4.06Å; F148-L227 HydrophobicContact CE2-CD1 3.7Å; F148-L227 HydrophobicContact CE2-CD2 4.43Å; F148-Y234 HydrophobicContact CB-CE1 3.91Å; F148-Y234 HydrophobicContact CD2-CE1 4.11Å; F148-Y234 HydrophobicContact CD2-CE2 4.5Å; F148-Y234 HydrophobicContact CG-CE1 4.31Å |
| 149 | I | 97.2 | Very high | 96.2 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 5% | 0.046 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58 | -44.1 | 178.7 | -70.6 | -60.7 | 0 | 0 | 0 | 111.9 | F84 E145 V146 N151 I152 I157 L179 F180 V183 | F84-I149 HydrophobicContact CE2-CG2 3.86Å; F84-I149 HydrophobicContact CZ-CG2 4.49Å; E145-I149 WeakPolarHBondContact O-CG1 3.43Å; E145-I149 PolarHBondContact O-N 2.78Å; V146-I149 PolarHBondContact O-N 3.48Å; I149-N151 PolarHBondContact O-N 3.29Å; I149-I152 PolarHBondContact O-N 3.12Å; I149-I157 HydrophobicContact CG2-CD1 3.98Å; I149-L179 HydrophobicContact CD1-CD2 4.41Å; I149-L179 HydrophobicContact CD1-CG 4.1Å; I149-L179 HydrophobicContact CG1-CD2 4.4Å; I149-L179 HydrophobicContact CG1-CG 4.43Å; I149-L179 HydrophobicContact CG2-CD2 4.22Å; I149-F180 HydrophobicContact CG1-CB 4.36Å; I149-V183 HydrophobicContact CD1-CB 3.53Å; I149-V183 HydrophobicContact CD1-CG1 3.73Å; I149-V183 HydrophobicContact CD1-CG2 3.57Å |
| 150 | A | 96.3 | Very high | 96.1 | Very high | 45 Ų | 45 | 41.5 Ų | 41.5 | 37% | 0.372 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -13.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | V146 F148 | V146-A150 WeakPolarHBondContact O-CB 3.3Å; V146-A150 PolarHBondContact O-N 3.32Å; F148-A150 VanDerWaalsContact C-N 3.34Å; F148-A150 PolarHBondContact O-N 3.47Å |
| 151 | N | 93.9 | Very high | 96 | Very high | 134 Ų | 134 | 36.9 Ų | 36.9 | 72% | 0.717 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -1.6 | 174.3 | -79 | -80.7 | 0 | 0 | 0 | 113.6 | F147 F148 I149 | F147-N151 PolarHBondContact O-ND2 3.22Å; F148-N151 PolarHBondContact O-N 2.84Å; F148-N151 VanDerWaalsContact O-N 3.15Å; I149-N151 PolarHBondContact O-N 3.29Å |
| 152 | I | 94.4 | Very high | 95.7 | Very high | 32 Ų | 32 | 42.8 Ų | 42.8 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -104.3 | 134.1 | -179.5 | -57.2 | -59.4 | 0 | 0 | 0 | 109.6 | I149 E154 I157 V183 V187 L201 | I149-I152 PolarHBondContact O-N 3.12Å; I152-E154 PolarHBondContact O-N 3.02Å; I152-I157 HydrophobicContact CB-CD1 4Å; I152-I157 HydrophobicContact CB-CG1 4.36Å; I152-I157 HydrophobicContact CG2-CD1 3.93Å; I152-I157 HydrophobicContact CG2-CG1 3.73Å; I152-V183 HydrophobicContact CG1-CG1 4.16Å; I152-V183 HydrophobicContact CG2-CG1 4.41Å; I152-V187 HydrophobicContact CD1-CG2 4Å; I152-L201 HydrophobicContact CG2-CD1 4Å |
| 153 | P | 94.8 | Very high | 95.4 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 42% | 0.416 | 22% | 0.224 | S | C | . | . | trans | -61.9 | 127.7 | 178.9 | -23.6 | 34.2 | 0 | 0 | 0 | 112.9 | N155 Q156 I157 | P153-N155 WeakPolarHBondContact CB-OD1 3.43Å; P153-N155 PolarHBondContact O-N 3.47Å; P153-N155 VanDerWaalsContact O-N 3.1Å; P153-Q156 HydrophobicContact CB-CG 4.29Å; P153-Q156 WeakPolarHBondContact O-CB 3.3Å; P153-Q156 PolarHBondContact O-N 3.27Å; P153-I157 PolarHBondContact O-N 3.3Å | ||
| 154 | E | 95.3 | Very high | 95.1 | Very high | 98 Ų | 98 | 45.6 Ų | 45.6 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -52.3 | -38.5 | -173.5 | -46.1 | -176.7 | 174.3 | 0 | 0 | 113 | Q82 F84 I152 Q156 I157 Y158 | Q82-E154 PolarHBondContact NE2-OE1 2.95Å; Q82-E154 PolarHBondContact OE1-OE1 3.21Å; F84-E154 HydrophobicContact CE1-CB 4.26Å; I152-E154 PolarHBondContact O-N 3.02Å; E154-Q156 PolarHBondContact O-N 3.21Å; E154-I157 PolarHBondContact O-N 2.83Å; E154-I157 VanDerWaalsContact O-N 3.09Å; E154-Y158 HydrophobicContact CB-CD2 4.42Å; E154-Y158 HydrophobicContact CB-CE2 4.36Å; E154-Y158 VanDerWaalsContact O-CD2 3.27Å; E154-Y158 WeakPolarHBondContact O-CD2 3.45Å; E154-Y158 PolarHBondContact O-N 3.38Å |
| 155 | N | 94.7 | Very high | 94.7 | Very high | 109 Ų | 109 | 48.6 Ų | 48.6 | 58% | 0.583 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.8 | -28.4 | 179.7 | 69.8 | -73.5 | 0 | 0 | 0 | 113.2 | P153 E159 | P153-N155 WeakPolarHBondContact CB-OD1 3.43Å; P153-N155 PolarHBondContact O-N 3.47Å; P153-N155 VanDerWaalsContact O-N 3.1Å; N155-E159 WeakPolarHBondContact O-CB 3.46Å; N155-E159 PolarHBondContact O-N 2.92Å |
| 156 | Q | 94.7 | Very high | 94.2 | Very high | 26 Ų | 26 | 53.3 Ų | 53.3 | 12% | 0.121 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -78.3 | -31.2 | 174.9 | -56.1 | -167.5 | 26.2 | 0 | 0 | 111.7 | P153 E154 L160 N198 D199 L201 | P153-Q156 HydrophobicContact CB-CG 4.29Å; P153-Q156 WeakPolarHBondContact O-CB 3.3Å; P153-Q156 PolarHBondContact O-N 3.27Å; E154-Q156 PolarHBondContact O-N 3.21Å; Q156-L160 VanDerWaalsContact O-CB 3.32Å; Q156-L160 WeakPolarHBondContact O-CB 3.48Å; Q156-L160 PolarHBondContact O-N 2.96Å; Q156-L160 VanDerWaalsContact O-N 3.09Å; Q156-N198 PolarHBondContact NE2-O 3.36Å; Q156-D199 VanDerWaalsContact CD-C 3.46Å; Q156-D199 WeakPolarHBondContact CG-O 3.28Å; Q156-D199 VanDerWaalsContact NE2-C 3.34Å; Q156-D199 PolarHBondContact NE2-O 2.89Å; Q156-L201 HydrophobicContact CB-CD1 4.31Å; Q156-L201 HydrophobicContact CB-CG 4.03Å |
| 157 | I | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.9 | -46.7 | 175.3 | -61.5 | 171.1 | 0 | 0 | 0 | 109.9 | F84 I149 I152 P153 E154 E159 L160 L161 L179 V183 | F84-I157 HydrophobicContact CD1-CB 4.28Å; F84-I157 HydrophobicContact CD1-CG2 3.73Å; F84-I157 HydrophobicContact CD2-CG2 4.13Å; F84-I157 HydrophobicContact CE1-CB 3.71Å; F84-I157 HydrophobicContact CE1-CD1 4.13Å; F84-I157 HydrophobicContact CE1-CG2 3.59Å; F84-I157 HydrophobicContact CE2-CD1 3.95Å; F84-I157 HydrophobicContact CE2-CG2 3.97Å; F84-I157 HydrophobicContact CG-CG2 4.03Å; F84-I157 HydrophobicContact CZ-CB 3.9Å; F84-I157 HydrophobicContact CZ-CD1 3.42Å; F84-I157 VanDerWaalsContact CZ-CD1 3.42Å; F84-I157 HydrophobicContact CZ-CG1 4.26Å; F84-I157 HydrophobicContact CZ-CG2 3.72Å; I149-I157 HydrophobicContact CG2-CD1 3.98Å; I152-I157 HydrophobicContact CB-CD1 4Å; I152-I157 HydrophobicContact CB-CG1 4.36Å; I152-I157 HydrophobicContact CG2-CD1 3.93Å; I152-I157 HydrophobicContact CG2-CG1 3.73Å; P153-I157 PolarHBondContact O-N 3.3Å; E154-I157 PolarHBondContact O-N 2.83Å; E154-I157 VanDerWaalsContact O-N 3.09Å; I157-E159 VanDerWaalsContact C-N 3.35Å; I157-E159 PolarHBondContact O-N 3.06Å; I157-L160 WeakPolarHBondContact O-CB 3.37Å; I157-L160 PolarHBondContact O-N 3.49Å; I157-L160 VanDerWaalsContact O-N 3.1Å; I157-L161 HydrophobicContact CG2-CD1 3.68Å; I157-L161 HydrophobicContact CG2-CG 4.13Å; I157-L161 WeakPolarHBondContact O-CB 3.46Å; I157-L161 WeakPolarHBondContact O-CG 3.37Å; I157-L161 PolarHBondContact O-N 3.5Å; I157-L179 HydrophobicContact CG2-CD1 4.15Å; I157-V183 HydrophobicContact CG1-CG2 4.26Å; I157-V183 HydrophobicContact CG2-CG2 4.28Å |
| 158 | Y | 94.9 | Very high | 92.9 | Very high | 104 Ų | 104 | 57 Ų | 57 | 41% | 0.408 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58 | -44.9 | 175.6 | -78.6 | -60.6 | 0 | 0 | 0 | 112.5 | F84 E154 L160 L161 E162 | F84-Y158 HydrophobicContact CB-CE1 4.38Å; F84-Y158 HydrophobicContact CD1-CD1 4.07Å; F84-Y158 HydrophobicContact CD1-CD2 4.31Å; F84-Y158 AromaticContact CD1-CE1 3.73Å; F84-Y158 HydrophobicContact CD1-CE1 3.73Å; F84-Y158 AromaticContact CD1-CE2 3.99Å; F84-Y158 HydrophobicContact CD1-CE2 3.99Å; F84-Y158 HydrophobicContact CD1-CG 4.35Å; F84-Y158 AromaticContact CD1-CZ 3.69Å; F84-Y158 HydrophobicContact CE1-CD2 4.34Å; F84-Y158 HydrophobicContact CE1-CE2 4.09Å; E154-Y158 HydrophobicContact CB-CD2 4.42Å; E154-Y158 HydrophobicContact CB-CE2 4.36Å; E154-Y158 VanDerWaalsContact O-CD2 3.27Å; E154-Y158 WeakPolarHBondContact O-CD2 3.45Å; E154-Y158 PolarHBondContact O-N 3.38Å; Y158-L160 VanDerWaalsContact C-N 3.3Å; Y158-L160 PolarHBondContact O-N 2.56Å; Y158-L161 PolarHBondContact O-N 3.04Å; Y158-E162 WeakPolarHBondContact O-CG 3.23Å; Y158-E162 PolarHBondContact O-N 2.87Å |
| 159 | E | 93.6 | Very high | 92.3 | Very high | 50 Ų | 50 | 59.7 Ų | 59.7 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60 | -39.4 | 174.4 | 168.7 | 173.9 | -98.5 | 0 | 0 | 112.8 | N155 I157 T163 R200 L202 | N155-E159 WeakPolarHBondContact O-CB 3.46Å; N155-E159 PolarHBondContact O-N 2.92Å; I157-E159 VanDerWaalsContact C-N 3.35Å; I157-E159 PolarHBondContact O-N 3.06Å; E159-T163 PolarHBondContact O-N 3.47Å; E159-T163 PolarHBondContact O-OG1 2.85Å; E159-R200 IonicContact OE1-CZ 2.83Å; E159-R200 IonicContact OE1-NE 2.67Å; E159-R200 PolarHBondContact OE1-NE 2.85Å; E159-R200 IonicContact OE1-NH2 3.13Å; E159-R200 PolarHBondContact OE1-NH2 3.04Å; E159-R200 VanDerWaalsContact OE2-CB 3.29Å; E159-R200 WeakPolarHBondContact OE2-CB 3.45Å; E159-R200 VanDerWaalsContact OE2-CG 3.3Å; E159-R200 WeakPolarHBondContact OE2-CG 3.5Å; E159-R200 IonicContact OE2-CZ 2.78Å; E159-R200 IonicContact OE2-NE 2.66Å; E159-R200 PolarHBondContact OE2-NE 3.19Å; E159-R200 IonicContact OE2-NH2 3.54Å; E159-L202 HydrophobicContact CG-CD1 3.6Å; E159-L202 HydrophobicContact CG-CG 4.33Å |
| 160 | L | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.4 | -44.6 | 177.7 | -177.3 | 62.4 | 0 | 0 | 0 | 111.3 | Q156 I157 Y158 T163 Y164 I182 V183 Q186 L201 L202 L259 | Q156-L160 VanDerWaalsContact O-CB 3.32Å; Q156-L160 WeakPolarHBondContact O-CB 3.48Å; Q156-L160 PolarHBondContact O-N 2.96Å; Q156-L160 VanDerWaalsContact O-N 3.09Å; I157-L160 WeakPolarHBondContact O-CB 3.37Å; I157-L160 PolarHBondContact O-N 3.49Å; I157-L160 VanDerWaalsContact O-N 3.1Å; Y158-L160 VanDerWaalsContact C-N 3.3Å; Y158-L160 PolarHBondContact O-N 2.56Å; L160-T163 PolarHBondContact O-N 3.12Å; L160-Y164 WeakPolarHBondContact O-CB 2.98Å; L160-Y164 PolarHBondContact O-N 3.39Å; L160-I182 HydrophobicContact CD2-CG2 4.03Å; L160-I182 HydrophobicContact CG-CG2 4.25Å; L160-V183 HydrophobicContact CD2-CG2 4.07Å; L160-Q186 HydrophobicContact CD1-CG 3.7Å; L160-Q186 HydrophobicContact CD2-CB 4.26Å; L160-Q186 HydrophobicContact CD2-CG 3.78Å; L160-Q186 HydrophobicContact CG-CG 4.39Å; L160-L201 HydrophobicContact CD2-CB 4.34Å; L160-L201 HydrophobicContact CD2-CD1 3.84Å; L160-L202 HydrophobicContact CD1-CD2 3.57Å; L160-L202 HydrophobicContact CD1-CG 4.33Å; L160-L259 HydrophobicContact CD1-CB 3.77Å; L160-L259 HydrophobicContact CD1-CD1 3.48Å; L160-L259 VanDerWaalsContact CD1-CD1 3.48Å; L160-L259 HydrophobicContact CD1-CG 4.27Å; L160-L259 HydrophobicContact CG-CD1 4.05Å |
| 161 | L | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.5 | -35.3 | 179.9 | -68.9 | 173.5 | 0 | 0 | 0 | 112.5 | F84 I157 Y158 T163 Y164 Q165 Y172 V176 L179 | F84-L161 HydrophobicContact CB-CD1 3.76Å; F84-L161 HydrophobicContact CD1-CD1 4.36Å; F84-L161 HydrophobicContact CG-CD1 4.06Å; I157-L161 HydrophobicContact CG2-CD1 3.68Å; I157-L161 HydrophobicContact CG2-CG 4.13Å; I157-L161 WeakPolarHBondContact O-CB 3.46Å; I157-L161 WeakPolarHBondContact O-CG 3.37Å; I157-L161 PolarHBondContact O-N 3.5Å; Y158-L161 PolarHBondContact O-N 3.04Å; L161-T163 VanDerWaalsContact C-N 3.31Å; L161-T163 PolarHBondContact O-N 2.93Å; L161-Y164 PolarHBondContact O-N 3.13Å; L161-Q165 WeakPolarHBondContact O-CB 3.16Å; L161-Q165 PolarHBondContact O-N 2.9Å; L161-Y172 HydrophobicContact CB-CD1 3.85Å; L161-Y172 HydrophobicContact CB-CD2 4.22Å; L161-Y172 HydrophobicContact CB-CE1 3.66Å; L161-Y172 HydrophobicContact CB-CE2 4.08Å; L161-Y172 HydrophobicContact CB-CG 4.13Å; L161-Y172 HydrophobicContact CD1-CD2 4.16Å; L161-Y172 HydrophobicContact CD1-CE2 3.68Å; L161-Y172 HydrophobicContact CD2-CD2 4.12Å; L161-Y172 HydrophobicContact CD2-CE2 4.47Å; L161-Y172 HydrophobicContact CD2-CG 4.36Å; L161-Y172 HydrophobicContact CG-CD2 4.4Å; L161-Y172 HydrophobicContact CG-CE2 4.3Å; L161-Y172 WeakPolarHBondContact O-CD1 3.39Å; L161-V176 HydrophobicContact CD2-CG2 4.27Å; L161-L179 HydrophobicContact CD1-CD1 3.94Å; L161-L179 HydrophobicContact CD2-CD1 3.89Å; L161-L179 HydrophobicContact CG-CD1 4.31Å |
| 162 | E | 92.2 | Very high | 91.1 | Very high | 126 Ų | 126 | 56.6 Ų | 56.6 | 59% | 0.589 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.7 | -43.8 | 168.7 | -79 | -173.8 | -178 | 0 | 0 | 111.2 | Y158 Q165 E166 | Y158-E162 WeakPolarHBondContact O-CG 3.23Å; Y158-E162 PolarHBondContact O-N 2.87Å; E162-Q165 PolarHBondContact O-N 3.36Å; E162-E166 WeakPolarHBondContact O-CG 3.35Å; E162-E166 PolarHBondContact O-N 3.34Å |
| 163 | T | 91.5 | Very high | 90.9 | Very high | 17 Ų | 17 | 58.9 Ų | 58.9 | 10% | 0.104 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.7 | -33.6 | 178 | -51.3 | 0 | 0 | 0 | 0 | 112.1 | E159 L160 L161 E166 K167 L202 L259 | E159-T163 PolarHBondContact O-N 3.47Å; E159-T163 PolarHBondContact O-OG1 2.85Å; L160-T163 PolarHBondContact O-N 3.12Å; L161-T163 VanDerWaalsContact C-N 3.31Å; L161-T163 PolarHBondContact O-N 2.93Å; T163-E166 PolarHBondContact O-N 2.79Å; T163-K167 PolarHBondContact O-N 3.06Å; T163-K167 VanDerWaalsContact O-N 3.12Å; T163-L202 HydrophobicContact CG2-CD2 3.83Å; T163-L202 WeakPolarHBondContact OG1-CD1 3.36Å; T163-L259 HydrophobicContact CG2-CD2 4.46Å |
| 164 | Y | 90.9 | Very high | 90.3 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 20% | 0.2 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 174.6 | -175 | -119.5 | 0 | 0 | 0 | 111.4 | L160 L161 E166 K167 L168 V176 I182 L259 | L160-Y164 WeakPolarHBondContact O-CB 2.98Å; L160-Y164 PolarHBondContact O-N 3.39Å; L161-Y164 PolarHBondContact O-N 3.13Å; Y164-E166 PolarHBondContact O-N 2.97Å; Y164-K167 CarbonylContact O-C 3.5Å; Y164-K167 WeakPolarHBondContact O-CA 3.36Å; Y164-K167 WeakPolarHBondContact O-CB 3.34Å; Y164-K167 PolarHBondContact O-N 3.28Å; Y164-L168 HydrophobicContact CD1-CD1 3.83Å; Y164-L168 HydrophobicContact CD1-CG 4.26Å; Y164-L168 HydrophobicContact CD2-CG 4.47Å; Y164-L168 HydrophobicContact CE1-CD1 3.37Å; Y164-L168 HydrophobicContact CE1-CD2 4.44Å; Y164-L168 HydrophobicContact CE1-CG 3.94Å; Y164-L168 HydrophobicContact CE2-CD1 4.49Å; Y164-L168 HydrophobicContact CE2-CD2 4.24Å; Y164-L168 HydrophobicContact CE2-CG 4.18Å; Y164-L168 PolarHBondContact O-N 3.47Å; Y164-V176 HydrophobicContact CD1-CG2 3.91Å; Y164-V176 HydrophobicContact CE1-CG2 3.59Å; Y164-I182 HydrophobicContact CD1-CD1 3.8Å; Y164-I182 HydrophobicContact CE1-CD1 3.44Å; Y164-I182 VanDerWaalsContact CE1-CD1 3.44Å; Y164-I182 HydrophobicContact CE1-CG1 4.49Å; Y164-I182 HydrophobicContact CE2-CD1 4.23Å; Y164-I182 HydrophobicContact CE2-CG1 4.49Å; Y164-I182 HydrophobicContact CG-CD1 4.33Å; Y164-L259 HydrophobicContact CD2-CD1 3.87Å; Y164-L259 HydrophobicContact CD2-CD2 4.22Å; Y164-L259 HydrophobicContact CG-CD1 4.2Å |
| 165 | Q | 90.8 | Very high | 89.2 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 172.6 | 156.4 | 167.3 | -1.1 | 0 | 0 | 112.4 | L161 E162 K167 L168 G169 F170 Y172 | L161-Q165 WeakPolarHBondContact O-CB 3.16Å; L161-Q165 PolarHBondContact O-N 2.9Å; E162-Q165 PolarHBondContact O-N 3.36Å; Q165-K167 PolarHBondContact O-N 3.46Å; Q165-L168 PolarHBondContact O-N 3.12Å; Q165-G169 PolarHBondContact O-N 3.08Å; Q165-F170 WeakPolarHBondContact CG-O 3.31Å; Q165-Y172 HydrophobicContact CB-CD1 3.89Å; Q165-Y172 VanDerWaalsContact OE1-CD1 3.29Å |
| 166 | E | 87.4 | Confident | 88.3 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.2 | -29 | 171.8 | -78.1 | -173.2 | 179.3 | 0 | 0 | 112.6 | E162 T163 Y164 K264 | E162-E166 WeakPolarHBondContact O-CG 3.35Å; E162-E166 PolarHBondContact O-N 3.34Å; T163-E166 PolarHBondContact O-N 2.79Å; Y164-E166 PolarHBondContact O-N 2.97Å; E166-K264 VanDerWaalsContact OE1-CE 3.27Å; E166-K264 WeakPolarHBondContact OE1-CE 3.47Å; E166-K264 IonicContact OE1-NZ 2.67Å; E166-K264 PolarHBondContact OE1-NZ 3.42Å; E166-K264 IonicContact OE2-NZ 3.52Å |
| 167 | K | 84.4 | Confident | 87.4 | Confident | 102 Ų | 102 | 53.6 Ų | 53.6 | 44% | 0.443 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -85.5 | -38.4 | 177.3 | -177.5 | 174.8 | 176.6 | 175.5 | 0 | 113.5 | T163 Y164 Q165 F255 D256 L259 | T163-K167 PolarHBondContact O-N 3.06Å; T163-K167 VanDerWaalsContact O-N 3.12Å; Y164-K167 CarbonylContact O-C 3.5Å; Y164-K167 WeakPolarHBondContact O-CA 3.36Å; Y164-K167 WeakPolarHBondContact O-CB 3.34Å; Y164-K167 PolarHBondContact O-N 3.28Å; Q165-K167 PolarHBondContact O-N 3.46Å; K167-F255 PolarHBondContact NZ-O 3.26Å; K167-D256 VanDerWaalsContact NZ-C 3.31Å; K167-D256 VanDerWaalsContact NZ-CA 3.31Å; K167-D256 PolarHBondContact NZ-O 3.43Å; K167-L259 HydrophobicContact CB-CD2 4.24Å; K167-L259 HydrophobicContact CD-CD2 3.64Å |
| 168 | L | 82.8 | Confident | 87.2 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 174.9 | -76.5 | -176 | 0 | 0 | 0 | 111.7 | Y164 Q165 F170 D175 | Y164-L168 HydrophobicContact CD1-CD1 3.83Å; Y164-L168 HydrophobicContact CD1-CG 4.26Å; Y164-L168 HydrophobicContact CD2-CG 4.47Å; Y164-L168 HydrophobicContact CE1-CD1 3.37Å; Y164-L168 HydrophobicContact CE1-CD2 4.44Å; Y164-L168 HydrophobicContact CE1-CG 3.94Å; Y164-L168 HydrophobicContact CE2-CD1 4.49Å; Y164-L168 HydrophobicContact CE2-CD2 4.24Å; Y164-L168 HydrophobicContact CE2-CG 4.18Å; Y164-L168 PolarHBondContact O-N 3.47Å; Q165-L168 PolarHBondContact O-N 3.12Å; L168-F170 HydrophobicContact CB-CD1 3.85Å; L168-F170 HydrophobicContact CB-CE1 3.76Å; L168-F170 HydrophobicContact CB-CZ 4.43Å; L168-F170 HydrophobicContact CD1-CZ 4.39Å; L168-F170 HydrophobicContact CD2-CE1 4.25Å; L168-F170 HydrophobicContact CD2-CZ 4.41Å; L168-F170 HydrophobicContact CG-CE1 4.41Å; L168-F170 WeakPolarHBondContact O-CD1 3.49Å; L168-F170 WeakPolarHBondContact O-CE1 3.01Å; L168-D175 HydrophobicContact CD1-CB 4.39Å |
| 169 | G | 84.1 | Confident | 87.2 | Confident | 71 Ų | 71 | 49.4 Ų | 49.4 | 73% | 0.732 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 91 | -2.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q165 | Q165-G169 PolarHBondContact O-N 3.08Š|
| 170 | F | 83.8 | Confident | 87.4 | Confident | 65 Ų | 65 | 47 Ų | 47 | 29% | 0.285 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -144.8 | 170.8 | -178.1 | 57.5 | -73.6 | 0 | 0 | 0 | 112.1 | Q165 L168 Y172 D175 I597 | Q165-F170 WeakPolarHBondContact CG-O 3.31Å; L168-F170 HydrophobicContact CB-CD1 3.85Å; L168-F170 HydrophobicContact CB-CE1 3.76Å; L168-F170 HydrophobicContact CB-CZ 4.43Å; L168-F170 HydrophobicContact CD1-CZ 4.39Å; L168-F170 HydrophobicContact CD2-CE1 4.25Å; L168-F170 HydrophobicContact CD2-CZ 4.41Å; L168-F170 HydrophobicContact CG-CE1 4.41Å; L168-F170 WeakPolarHBondContact O-CD1 3.49Å; L168-F170 WeakPolarHBondContact O-CE1 3.01Å; F170-Y172 PolarHBondContact O-N 2.97Å; F170-D175 HydrophobicContact CD2-CB 4.11Å; F170-D175 HydrophobicContact CE2-CB 3.36Å; F170-D175 WeakPolarHBondContact CE2-OD2 3.44Å; F170-D175 HydrophobicContact CZ-CB 4.04Å; F170-D175 VanDerWaalsContact CZ-CG 3.48Å; F170-D175 VanDerWaalsContact CZ-OD2 3.25Å; F170-D175 WeakPolarHBondContact CZ-OD2 3.34Å; F170-I597 HydrophobicContact CD2-CG2 4.37Å; F170-I597 HydrophobicContact CE2-CG2 3.68Å; F170-I597 HydrophobicContact CZ-CG2 3.91Å |
| 171 | D | 88.1 | Confident | 87.4 | Confident | 57 Ų | 57 | 49.9 Ų | 49.9 | 31% | 0.305 | 25% | 0.248 | S | C | . | . | trans | -67.2 | 118.6 | -172.2 | -165.4 | -32.3 | 0 | 0 | 0 | 111.7 | R173 K174 | D171-R173 VanDerWaalsContact CG-NH1 3.3Å; D171-R173 PolarHBondContact O-N 2.97Å; D171-R173 VanDerWaalsContact OD1-CB 3.3Å; D171-R173 WeakPolarHBondContact OD1-CB 3.48Å; D171-R173 VanDerWaalsContact OD1-CG 3.3Å; D171-R173 WeakPolarHBondContact OD1-CG 3.49Å; D171-R173 IonicContact OD1-CZ 3.24Å; D171-R173 PolarHBondContact OD1-N 3.17Å; D171-R173 IonicContact OD1-NH1 3.83Å; D171-R173 PolarHBondContact OD1-NH1 3.28Å; D171-R173 IonicContact OD2-NH1 2.63Å; D171-R173 PolarHBondContact OD2-NH1 3.12Å; D171-K174 PolarHBondContact O-N 3.01Å | ||
| 172 | Y | 89.2 | Confident | 87.4 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -58.2 | -24.6 | -178.4 | 71.7 | -105 | 0 | 0 | 0 | 113 | F84 I86 L161 Q165 F170 K174 D175 V176 | F84-Y172 PolarHBondContact O-OH 3.45Å; I86-Y172 HydrophobicContact CG1-CD2 4.35Å; I86-Y172 HydrophobicContact CG1-CE2 4.49Å; L161-Y172 HydrophobicContact CB-CD1 3.85Å; L161-Y172 HydrophobicContact CB-CD2 4.22Å; L161-Y172 HydrophobicContact CB-CE1 3.66Å; L161-Y172 HydrophobicContact CB-CE2 4.08Å; L161-Y172 HydrophobicContact CB-CG 4.13Å; L161-Y172 HydrophobicContact CD1-CD2 4.16Å; L161-Y172 HydrophobicContact CD1-CE2 3.68Å; L161-Y172 HydrophobicContact CD2-CD2 4.12Å; L161-Y172 HydrophobicContact CD2-CE2 4.47Å; L161-Y172 HydrophobicContact CD2-CG 4.36Å; L161-Y172 HydrophobicContact CG-CD2 4.4Å; L161-Y172 HydrophobicContact CG-CE2 4.3Å; L161-Y172 WeakPolarHBondContact O-CD1 3.39Å; Q165-Y172 HydrophobicContact CB-CD1 3.89Å; Q165-Y172 VanDerWaalsContact OE1-CD1 3.29Å; F170-Y172 PolarHBondContact O-N 2.97Å; Y172-K174 PolarHBondContact O-N 3.42Å; Y172-K174 VanDerWaalsContact O-N 3.16Å; Y172-D175 PolarHBondContact O-N 2.92Å; Y172-V176 HydrophobicContact CD2-CG2 4.17Å; Y172-V176 HydrophobicContact CG-CG2 4.4Å; Y172-V176 WeakPolarHBondContact O-CB 3.37Å; Y172-V176 WeakPolarHBondContact O-CG2 3.46Å; Y172-V176 PolarHBondContact O-N 3.07Å |
| 173 | R | 90.7 | Very high | 87.6 | Confident | 80 Ų | 80 | 44.8 Ų | 44.8 | 30% | 0.302 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -63.2 | -22 | -177.5 | -68.9 | 177.3 | -166.4 | 80.9 | 5.4 | 113.8 | G85 E87 D171 | G85-R173 VanDerWaalsContact O-CB 3.23Å; G85-R173 WeakPolarHBondContact O-CB 3.4Å; G85-R173 VanDerWaalsContact O-CG 3.27Å; G85-R173 WeakPolarHBondContact O-CG 3.12Å; E87-R173 PolarHBondContact N-O 3.11Å; D171-R173 VanDerWaalsContact CG-NH1 3.3Å; D171-R173 PolarHBondContact O-N 2.97Å; D171-R173 VanDerWaalsContact OD1-CB 3.3Å; D171-R173 WeakPolarHBondContact OD1-CB 3.48Å; D171-R173 VanDerWaalsContact OD1-CG 3.3Å; D171-R173 WeakPolarHBondContact OD1-CG 3.49Å; D171-R173 IonicContact OD1-CZ 3.24Å; D171-R173 PolarHBondContact OD1-N 3.17Å; D171-R173 IonicContact OD1-NH1 3.83Å; D171-R173 PolarHBondContact OD1-NH1 3.28Å; D171-R173 IonicContact OD2-NH1 2.63Å; D171-R173 PolarHBondContact OD2-NH1 3.12Å |
| 174 | K | 82.4 | Confident | 87.8 | Confident | 146 Ų | 146 | 44 Ų | 44 | 64% | 0.635 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -94.3 | -20.9 | -179.9 | -61 | -169.3 | 170.1 | -159.4 | 0 | 114.1 | D171 Y172 | D171-K174 PolarHBondContact O-N 3.01Å; Y172-K174 PolarHBondContact O-N 3.42Å; Y172-K174 VanDerWaalsContact O-N 3.16Å |
| 175 | D | 72.4 | Confident | 88 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | -8.6 | -163 | -168.1 | 64.8 | 0 | 0 | 0 | 114.7 | L168 F170 Y172 N177 | L168-D175 HydrophobicContact CD1-CB 4.39Å; F170-D175 HydrophobicContact CD2-CB 4.11Å; F170-D175 HydrophobicContact CE2-CB 3.36Å; F170-D175 WeakPolarHBondContact CE2-OD2 3.44Å; F170-D175 HydrophobicContact CZ-CB 4.04Å; F170-D175 VanDerWaalsContact CZ-CG 3.48Å; F170-D175 VanDerWaalsContact CZ-OD2 3.25Å; F170-D175 WeakPolarHBondContact CZ-OD2 3.34Å; Y172-D175 PolarHBondContact O-N 2.92Å; D175-N177 PolarHBondContact O-N 3.17Å; D175-N177 PolarHBondContact O-ND2 3.37Å |
| 176 | V | 76.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | trans | -69.3 | 88 | 171.6 | 175 | 0 | 0 | 0 | 0 | 109.1 | I86 L161 Y164 Y172 N178 L179 I182 | I86-V176 HydrophobicContact CD1-CB 3.77Å; I86-V176 HydrophobicContact CD1-CG1 3.49Å; I86-V176 VanDerWaalsContact CD1-CG1 3.49Å; I86-V176 HydrophobicContact CD1-CG2 4.43Å; I86-V176 HydrophobicContact CG1-CB 4.07Å; I86-V176 HydrophobicContact CG1-CG1 4.33Å; I86-V176 HydrophobicContact CG2-CB 4.43Å; L161-V176 HydrophobicContact CD2-CG2 4.27Å; Y164-V176 HydrophobicContact CD1-CG2 3.91Å; Y164-V176 HydrophobicContact CE1-CG2 3.59Å; Y172-V176 HydrophobicContact CD2-CG2 4.17Å; Y172-V176 HydrophobicContact CG-CG2 4.4Å; Y172-V176 WeakPolarHBondContact O-CB 3.37Å; Y172-V176 WeakPolarHBondContact O-CG2 3.46Å; Y172-V176 PolarHBondContact O-N 3.07Å; V176-N178 VanDerWaalsContact C-N 3.27Å; V176-N178 PolarHBondContact O-N 2.98Å; V176-L179 HydrophobicContact CG1-CB 3.99Å; V176-I182 HydrophobicContact CB-CD1 4.37Å; V176-I182 HydrophobicContact CG1-CD1 3.71Å; V176-I182 HydrophobicContact CG2-CD1 3.81Å | ||
| 177 | N | 76.1 | Confident | 88.6 | Confident | 32 Ų | 32 | 37.3 Ų | 37.3 | 17% | 0.171 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -59.3 | -39.1 | 174.1 | -74 | -60.1 | 0 | 0 | 0 | 111.6 | Q120 D175 | Q120-N177 HydrophobicContact CB-CB 4.4Å; Q120-N177 HydrophobicContact CG-CB 4.42Å; Q120-N177 PolarHBondContact N-O 2.93Å; Q120-N177 VanDerWaalsContact O-O 3.07Å; D175-N177 PolarHBondContact O-N 3.17Å; D175-N177 PolarHBondContact O-ND2 3.37Å |
| 178 | N | 90.8 | Very high | 89.1 | Confident | 13 Ų | 13 | 32.4 Ų | 32.4 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | trans | -143.4 | 111.7 | 173.6 | -168.5 | -82.8 | 0 | 0 | 0 | 111.9 | Y119 Q120 A122 E145 V176 F180 E181 | Y119-N178 PolarHBondContact OH-ND2 3.41Å; Q120-N178 WeakPolarHBondContact O-CB 3.45Å; Q120-N178 PolarHBondContact O-ND2 2.88Å; A122-N178 PolarHBondContact N-ND2 2.9Å; E145-N178 VanDerWaalsContact CD-ND2 3.31Å; E145-N178 PolarHBondContact OE1-ND2 3.48Å; E145-N178 PolarHBondContact OE2-ND2 3.47Å; V176-N178 VanDerWaalsContact C-N 3.27Å; V176-N178 PolarHBondContact O-N 2.98Å; N178-F180 VanDerWaalsContact C-N 3.34Å; N178-F180 WeakPolarHBondContact OD1-CA 3.46Å; N178-F180 WeakPolarHBondContact OD1-CB 3.26Å; N178-F180 PolarHBondContact OD1-N 3.09Å; N178-E181 HydrophobicContact CB-CB 4.4Å; N178-E181 PolarHBondContact OD1-N 3.36Å | ||
| 179 | L | 95 | Very high | 89.6 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.8 | -38.1 | 177.3 | 172.7 | 62.7 | 0 | 0 | 0 | 111.9 | F84 I86 Y119 I149 I157 L161 V176 E181 I182 V183 | F84-L179 HydrophobicContact CD2-CD2 3.42Å; F84-L179 VanDerWaalsContact CD2-CD2 3.42Å; F84-L179 HydrophobicContact CE2-CD2 3.81Å; F84-L179 HydrophobicContact CG-CD2 4.44Å; I86-L179 HydrophobicContact CD1-CB 3.8Å; I86-L179 HydrophobicContact CD1-CD1 4.13Å; I86-L179 HydrophobicContact CD1-CD2 4.17Å; I86-L179 HydrophobicContact CD1-CG 4.25Å; Y119-L179 PolarHBondContact OH-N 2.84Å; I149-L179 HydrophobicContact CD1-CD2 4.41Å; I149-L179 HydrophobicContact CD1-CG 4.1Å; I149-L179 HydrophobicContact CG1-CD2 4.4Å; I149-L179 HydrophobicContact CG1-CG 4.43Å; I149-L179 HydrophobicContact CG2-CD2 4.22Å; I157-L179 HydrophobicContact CG2-CD1 4.15Å; L161-L179 HydrophobicContact CD1-CD1 3.94Å; L161-L179 HydrophobicContact CD2-CD1 3.89Å; L161-L179 HydrophobicContact CG-CD1 4.31Å; V176-L179 HydrophobicContact CG1-CB 3.99Å; L179-E181 PolarHBondContact O-N 3.28Å; L179-I182 PolarHBondContact O-N 2.99Å; L179-V183 HydrophobicContact CD1-CG2 4.08Å; L179-V183 WeakPolarHBondContact O-CG2 3.45Å; L179-V183 PolarHBondContact O-N 3.19Å |
| 180 | F | 97.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | -176.1 | 159.8 | -90.3 | 0 | 0 | 0 | 111.7 | A122 E145 F148 I149 N178 I182 V183 F184 Y233 Y234 I237 | A122-F180 HydrophobicContact CB-CD1 3.96Å; A122-F180 HydrophobicContact CB-CE1 4.15Å; E145-F180 HydrophobicContact CB-CB 3.6Å; E145-F180 HydrophobicContact CB-CD1 4.34Å; E145-F180 HydrophobicContact CB-CD2 4.04Å; E145-F180 HydrophobicContact CB-CG 3.74Å; E145-F180 HydrophobicContact CG-CB 3.74Å; E145-F180 HydrophobicContact CG-CD1 3.61Å; E145-F180 HydrophobicContact CG-CD2 4.08Å; E145-F180 HydrophobicContact CG-CE1 4.22Å; E145-F180 HydrophobicContact CG-CG 3.53Å; F148-F180 HydrophobicContact CB-CD2 3.88Å; F148-F180 HydrophobicContact CB-CE2 3.75Å; F148-F180 AromaticContact CD1-CD2 3.54Å; F148-F180 HydrophobicContact CD1-CD2 3.54Å; F148-F180 AromaticContact CD1-CE2 3.56Å; F148-F180 HydrophobicContact CD1-CE2 3.56Å; F148-F180 HydrophobicContact CD2-CE2 4.22Å; F148-F180 HydrophobicContact CE1-CD2 4.28Å; F148-F180 HydrophobicContact CE1-CE2 4.15Å; F148-F180 AromaticContact CG-CD2 3.9Å; F148-F180 HydrophobicContact CG-CD2 3.9Å; F148-F180 AromaticContact CG-CE2 3.58Å; F148-F180 HydrophobicContact CG-CE2 3.58Å; I149-F180 HydrophobicContact CG1-CB 4.36Å; N178-F180 VanDerWaalsContact C-N 3.34Å; N178-F180 WeakPolarHBondContact OD1-CA 3.46Å; N178-F180 WeakPolarHBondContact OD1-CB 3.26Å; N178-F180 PolarHBondContact OD1-N 3.09Å; F180-I182 PolarHBondContact O-N 2.85Å; F180-V183 PolarHBondContact O-N 3.11Å; F180-F184 HydrophobicContact CD1-CB 4.43Å; F180-F184 HydrophobicContact CD2-CB 4.3Å; F180-F184 HydrophobicContact CE1-CB 4.1Å; F180-F184 HydrophobicContact CE1-CD2 4.28Å; F180-F184 HydrophobicContact CE1-CG 4.11Å; F180-F184 HydrophobicContact CE2-CB 3.97Å; F180-F184 AromaticContact CE2-CD2 3.61Å; F180-F184 HydrophobicContact CE2-CD2 3.61Å; F180-F184 HydrophobicContact CE2-CE2 4.42Å; F180-F184 HydrophobicContact CE2-CG 4.06Å; F180-F184 HydrophobicContact CZ-CB 3.85Å; F180-F184 HydrophobicContact CZ-CD1 4.41Å; F180-F184 AromaticContact CZ-CD2 3.36Å; F180-F184 HydrophobicContact CZ-CD2 3.36Å; F180-F184 AromaticContact CZ-CE2 3.96Å; F180-F184 HydrophobicContact CZ-CE2 3.96Å; F180-F184 AromaticContact CZ-CG 3.63Å; F180-F184 HydrophobicContact CZ-CG 3.63Å; F180-F184 WeakPolarHBondContact O-CA 3.37Å; F180-F184 WeakPolarHBondContact O-CB 3.48Å; F180-F184 PolarHBondContact O-N 3.02Å; F180-Y233 HydrophobicContact CD1-CE1 4.36Å; F180-Y233 HydrophobicContact CE1-CD1 4.41Å; F180-Y233 AromaticContact CE1-CE1 3.77Å; F180-Y233 HydrophobicContact CE1-CE1 3.77Å; F180-Y233 HydrophobicContact CZ-CD1 4.24Å; F180-Y233 HydrophobicContact CZ-CE1 4.05Å; F180-Y234 HydrophobicContact CE2-CD1 4.04Å; F180-Y234 AromaticContact CE2-CE1 3.93Å; F180-Y234 HydrophobicContact CE2-CE1 3.93Å; F180-Y234 AromaticContact CZ-CD1 3.91Å; F180-Y234 HydrophobicContact CZ-CD1 3.91Å; F180-Y234 HydrophobicContact CZ-CE1 4.22Å; F180-I237 HydrophobicContact CE1-CB 4.41Å; F180-I237 HydrophobicContact CE1-CG1 4.04Å; F180-I237 HydrophobicContact CE1-CG2 4.04Å |
| 181 | E | 94.6 | Very high | 90.5 | Very high | 61 Ų | 61 | 27.3 Ų | 27.3 | 29% | 0.285 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63.2 | -42.7 | -178.4 | -158.9 | -157.2 | 127.2 | 0 | 0 | 111.5 | A122 N178 L179 V183 F184 R185 | A122-E181 HydrophobicContact CB-CB 4.41Å; N178-E181 HydrophobicContact CB-CB 4.4Å; N178-E181 PolarHBondContact OD1-N 3.36Å; L179-E181 PolarHBondContact O-N 3.28Å; E181-V183 PolarHBondContact O-N 3.27Å; E181-F184 PolarHBondContact O-N 3.48Å; E181-R185 WeakPolarHBondContact O-CB 3.47Å; E181-R185 PolarHBondContact O-N 2.74Å; E181-R185 IonicContact OE1-CZ 2.89Å; E181-R185 IonicContact OE1-NE 3.78Å; E181-R185 IonicContact OE1-NH2 3.6Å; E181-R185 PolarHBondContact OE1-NH2 3.42Å |
| 182 | I | 94.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 10% | 0.097 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.4 | -48.4 | 177.3 | -59.6 | 167.7 | 0 | 0 | 0 | 110.3 | L160 Y164 V176 L179 F180 Q186 L259 | L160-I182 HydrophobicContact CD2-CG2 4.03Å; L160-I182 HydrophobicContact CG-CG2 4.25Å; Y164-I182 HydrophobicContact CD1-CD1 3.8Å; Y164-I182 HydrophobicContact CE1-CD1 3.44Å; Y164-I182 VanDerWaalsContact CE1-CD1 3.44Å; Y164-I182 HydrophobicContact CE1-CG1 4.49Å; Y164-I182 HydrophobicContact CE2-CD1 4.23Å; Y164-I182 HydrophobicContact CE2-CG1 4.49Å; Y164-I182 HydrophobicContact CG-CD1 4.33Å; V176-I182 HydrophobicContact CB-CD1 4.37Å; V176-I182 HydrophobicContact CG1-CD1 3.71Å; V176-I182 HydrophobicContact CG2-CD1 3.81Å; L179-I182 PolarHBondContact O-N 2.99Å; F180-I182 PolarHBondContact O-N 2.85Å; I182-Q186 VanDerWaalsContact O-CG 3.32Å; I182-Q186 WeakPolarHBondContact O-CG 3.4Å; I182-L259 HydrophobicContact CG2-CD1 3.97Å |
| 183 | V | 96.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.9 | -45.2 | -179.5 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | F148 I149 I152 I157 L160 L179 F180 E181 R185 Q186 V187 L201 | F148-V183 HydrophobicContact CE1-CG1 4.13Å; I149-V183 HydrophobicContact CD1-CB 3.53Å; I149-V183 HydrophobicContact CD1-CG1 3.73Å; I149-V183 HydrophobicContact CD1-CG2 3.57Å; I152-V183 HydrophobicContact CG1-CG1 4.16Å; I152-V183 HydrophobicContact CG2-CG1 4.41Å; I157-V183 HydrophobicContact CG1-CG2 4.26Å; I157-V183 HydrophobicContact CG2-CG2 4.28Å; L160-V183 HydrophobicContact CD2-CG2 4.07Å; L179-V183 HydrophobicContact CD1-CG2 4.08Å; L179-V183 WeakPolarHBondContact O-CG2 3.45Å; L179-V183 PolarHBondContact O-N 3.19Å; F180-V183 PolarHBondContact O-N 3.11Å; E181-V183 PolarHBondContact O-N 3.27Å; V183-R185 PolarHBondContact O-N 3.47Å; V183-Q186 PolarHBondContact O-N 3.44Å; V183-V187 HydrophobicContact CG1-CG2 4.28Å; V183-V187 WeakPolarHBondContact O-CG2 3.33Å; V183-V187 PolarHBondContact O-N 2.99Å; V183-L201 HydrophobicContact CG1-CD1 3.85Å |
| 184 | F | 96.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59 | -47.4 | -179.5 | -177.5 | -96 | 0 | 0 | 0 | 111.3 | F148 F180 E181 Q186 V187 I188 L227 Y234 I237 F238 L241 | F148-F184 HydrophobicContact CD2-CD2 4.44Å; F148-F184 HydrophobicContact CE1-CB 4.06Å; F148-F184 HydrophobicContact CE1-CD2 4.05Å; F148-F184 AromaticContact CE2-CD2 3.88Å; F148-F184 HydrophobicContact CE2-CD2 3.88Å; F148-F184 HydrophobicContact CE2-CE2 4.34Å; F148-F184 HydrophobicContact CZ-CB 4.33Å; F148-F184 AromaticContact CZ-CD2 3.65Å; F148-F184 HydrophobicContact CZ-CD2 3.65Å; F148-F184 HydrophobicContact CZ-CE2 4.47Å; F148-F184 HydrophobicContact CZ-CG 4.42Å; F180-F184 HydrophobicContact CD1-CB 4.43Å; F180-F184 HydrophobicContact CD2-CB 4.3Å; F180-F184 HydrophobicContact CE1-CB 4.1Å; F180-F184 HydrophobicContact CE1-CD2 4.28Å; F180-F184 HydrophobicContact CE1-CG 4.11Å; F180-F184 HydrophobicContact CE2-CB 3.97Å; F180-F184 AromaticContact CE2-CD2 3.61Å; F180-F184 HydrophobicContact CE2-CD2 3.61Å; F180-F184 HydrophobicContact CE2-CE2 4.42Å; F180-F184 HydrophobicContact CE2-CG 4.06Å; F180-F184 HydrophobicContact CZ-CB 3.85Å; F180-F184 HydrophobicContact CZ-CD1 4.41Å; F180-F184 AromaticContact CZ-CD2 3.36Å; F180-F184 HydrophobicContact CZ-CD2 3.36Å; F180-F184 AromaticContact CZ-CE2 3.96Å; F180-F184 HydrophobicContact CZ-CE2 3.96Å; F180-F184 AromaticContact CZ-CG 3.63Å; F180-F184 HydrophobicContact CZ-CG 3.63Å; F180-F184 WeakPolarHBondContact O-CA 3.37Å; F180-F184 WeakPolarHBondContact O-CB 3.48Å; F180-F184 PolarHBondContact O-N 3.02Å; E181-F184 PolarHBondContact O-N 3.48Å; F184-Q186 VanDerWaalsContact C-N 3.27Å; F184-Q186 PolarHBondContact O-N 3.28Å; F184-V187 PolarHBondContact O-N 2.95Å; F184-V187 VanDerWaalsContact O-N 3.13Å; F184-I188 HydrophobicContact CD1-CG1 3.94Å; F184-I188 HydrophobicContact CE1-CD1 4.01Å; F184-I188 HydrophobicContact CE1-CG1 3.61Å; F184-I188 HydrophobicContact CE2-CD1 4.3Å; F184-I188 HydrophobicContact CE2-CG1 4.48Å; F184-I188 HydrophobicContact CG-CG1 4.5Å; F184-I188 HydrophobicContact CZ-CD1 3.78Å; F184-I188 HydrophobicContact CZ-CG1 3.91Å; F184-I188 WeakPolarHBondContact O-CG1 3.28Å; F184-I188 PolarHBondContact O-N 2.95Å; F184-L227 HydrophobicContact CE2-CD2 3.84Å; F184-L227 HydrophobicContact CZ-CD2 4.34Å; F184-Y234 HydrophobicContact CE2-CD1 4.19Å; F184-Y234 HydrophobicContact CE2-CG 4.26Å; F184-Y234 WeakPolarHBondContact CZ-O 3.45Å; F184-I237 HydrophobicContact CD1-CG2 3.87Å; F184-I237 HydrophobicContact CE1-CB 4.19Å; F184-I237 HydrophobicContact CE1-CG2 3.8Å; F184-I237 HydrophobicContact CZ-CB 4.49Å; F184-F238 HydrophobicContact CE1-CB 4.41Å; F184-F238 HydrophobicContact CZ-CB 4.33Å; F184-L241 HydrophobicContact CD1-CD2 4.47Å; F184-L241 HydrophobicContact CE1-CD2 4.48Å |
| 185 | R | 95.3 | Very high | 89.6 | Confident | 54 Ų | 54 | 22.5 Ų | 22.5 | 20% | 0.204 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -52.8 | -46.6 | 175.9 | -174.6 | 178.9 | -53.7 | -166.3 | 1.3 | 111.4 | E181 V183 I188 G189 L241 F257 F258 | E181-R185 WeakPolarHBondContact O-CB 3.47Å; E181-R185 PolarHBondContact O-N 2.74Å; E181-R185 IonicContact OE1-CZ 2.89Å; E181-R185 IonicContact OE1-NE 3.78Å; E181-R185 IonicContact OE1-NH2 3.6Å; E181-R185 PolarHBondContact OE1-NH2 3.42Å; V183-R185 PolarHBondContact O-N 3.47Å; R185-I188 PolarHBondContact O-N 3.24Å; R185-G189 PolarHBondContact O-N 3.23Å; R185-G189 VanDerWaalsContact O-N 3.09Å; R185-L241 HydrophobicContact CB-CD1 4.36Å; R185-L241 HydrophobicContact CB-CD2 4.37Å; R185-L241 HydrophobicContact CG-CD1 3.84Å; R185-L241 HydrophobicContact CG-CD2 4.23Å; R185-F257 WeakPolarHBondContact CD-O 3.15Å; R185-F257 HydrophobicContact CG-CE1 4.37Å; R185-F257 PolarHBondContact NH1-O 3.02Å; R185-F258 HydrophobicContact CG-CD1 4.07Å; R185-F258 HydrophobicContact CG-CE1 4.11Å; R185-F258 WeakPolarHBondContact O-CE1 3.32Å |
| 186 | Q | 95.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.7 | -39.6 | 179.1 | -61.6 | -70.2 | 108 | 0 | 0 | 112.8 | L160 I182 V183 F184 G189 K190 L201 L259 | L160-Q186 HydrophobicContact CD1-CG 3.7Å; L160-Q186 HydrophobicContact CD2-CB 4.26Å; L160-Q186 HydrophobicContact CD2-CG 3.78Å; L160-Q186 HydrophobicContact CG-CG 4.39Å; I182-Q186 VanDerWaalsContact O-CG 3.32Å; I182-Q186 WeakPolarHBondContact O-CG 3.4Å; V183-Q186 PolarHBondContact O-N 3.44Å; F184-Q186 VanDerWaalsContact C-N 3.27Å; F184-Q186 PolarHBondContact O-N 3.28Å; Q186-G189 PolarHBondContact O-N 3.16Å; Q186-K190 WeakPolarHBondContact O-CB 3.47Å; Q186-K190 VanDerWaalsContact O-CG 3.31Å; Q186-K190 WeakPolarHBondContact O-CG 3.47Å; Q186-K190 PolarHBondContact O-N 3.01Å; Q186-L201 HydrophobicContact CB-CB 4.16Å; Q186-L201 PolarHBondContact NE2-O 3.46Å; Q186-L259 PolarHBondContact NE2-O 3.29Å |
| 187 | V | 94.9 | Very high | 87.9 | Confident | 18 Ų | 18 | 40.8 Ų | 40.8 | 11% | 0.109 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | F148 I152 V183 F184 G189 K190 L191 L201 | F148-V187 HydrophobicContact CE1-CG2 4.23Å; F148-V187 HydrophobicContact CE2-CG1 4.41Å; F148-V187 HydrophobicContact CZ-CB 3.86Å; F148-V187 HydrophobicContact CZ-CG1 3.84Å; F148-V187 HydrophobicContact CZ-CG2 3.89Å; I152-V187 HydrophobicContact CD1-CG2 4Å; V183-V187 HydrophobicContact CG1-CG2 4.28Å; V183-V187 WeakPolarHBondContact O-CG2 3.33Å; V183-V187 PolarHBondContact O-N 2.99Å; F184-V187 PolarHBondContact O-N 2.95Å; F184-V187 VanDerWaalsContact O-N 3.13Å; V187-G189 PolarHBondContact O-N 2.73Å; V187-K190 PolarHBondContact O-N 3.14Å; V187-L191 HydrophobicContact CG1-CD1 3.89Å; V187-L191 HydrophobicContact CG1-CG 4.29Å; V187-L191 WeakPolarHBondContact O-CG 3.23Å; V187-L191 PolarHBondContact O-N 2.88Å; V187-L201 HydrophobicContact CG2-CD2 3.61Å |
| 188 | I | 94.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.7 | -50.2 | 173.3 | -66.8 | -60.2 | 0 | 0 | 0 | 110.1 | F184 R185 K190 L191 L192 L224 L227 F238 L241 | F184-I188 HydrophobicContact CD1-CG1 3.94Å; F184-I188 HydrophobicContact CE1-CD1 4.01Å; F184-I188 HydrophobicContact CE1-CG1 3.61Å; F184-I188 HydrophobicContact CE2-CD1 4.3Å; F184-I188 HydrophobicContact CE2-CG1 4.48Å; F184-I188 HydrophobicContact CG-CG1 4.5Å; F184-I188 HydrophobicContact CZ-CD1 3.78Å; F184-I188 HydrophobicContact CZ-CG1 3.91Å; F184-I188 WeakPolarHBondContact O-CG1 3.28Å; F184-I188 PolarHBondContact O-N 2.95Å; R185-I188 PolarHBondContact O-N 3.24Å; I188-K190 VanDerWaalsContact C-N 3.3Å; I188-K190 PolarHBondContact O-N 2.99Å; I188-L191 PolarHBondContact O-N 3.47Å; I188-L192 HydrophobicContact CG2-CD1 3.82Å; I188-L192 HydrophobicContact CG2-CG 4.27Å; I188-L192 WeakPolarHBondContact O-CB 3.48Å; I188-L192 VanDerWaalsContact O-CG 3.26Å; I188-L192 WeakPolarHBondContact O-CG 3.46Å; I188-L192 PolarHBondContact O-N 3Å; I188-L224 HydrophobicContact CD1-CD1 4.11Å; I188-L224 HydrophobicContact CD1-CD2 3.77Å; I188-L224 HydrophobicContact CG2-CD1 4.42Å; I188-L227 HydrophobicContact CD1-CD2 3.76Å; I188-F238 HydrophobicContact CD1-CD2 4.04Å; I188-F238 HydrophobicContact CG1-CD2 4.42Å; I188-F238 HydrophobicContact CG2-CD2 4.17Å; I188-F238 HydrophobicContact CG2-CE2 4.1Å; I188-L241 HydrophobicContact CB-CD2 4.28Å; I188-L241 HydrophobicContact CG1-CD2 4.21Å; I188-L241 HydrophobicContact CG2-CD2 4.29Å |
| 189 | G | 93.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R185 Q186 V187 L192 I193 | R185-G189 PolarHBondContact O-N 3.23Å; R185-G189 VanDerWaalsContact O-N 3.09Å; Q186-G189 PolarHBondContact O-N 3.16Å; V187-G189 PolarHBondContact O-N 2.73Å; G189-L192 PolarHBondContact O-N 3.04Å; G189-I193 WeakPolarHBondContact O-CG2 3.36Å; G189-I193 PolarHBondContact O-N 3.44Å |
| 190 | K | 92.8 | Very high | 86.7 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.6 | -35.6 | 176.3 | -73.5 | -73.4 | 176 | -176.4 | 0 | 113.5 | Q186 V187 I188 I193 N198 R200 L201 L202 L203 E207 | Q186-K190 WeakPolarHBondContact O-CB 3.47Å; Q186-K190 VanDerWaalsContact O-CG 3.31Å; Q186-K190 WeakPolarHBondContact O-CG 3.47Å; Q186-K190 PolarHBondContact O-N 3.01Å; V187-K190 PolarHBondContact O-N 3.14Å; I188-K190 VanDerWaalsContact C-N 3.3Å; I188-K190 PolarHBondContact O-N 2.99Å; K190-I193 HydrophobicContact CD-CD1 4.13Å; K190-I193 WeakPolarHBondContact O-CG1 3.46Å; K190-N198 HydrophobicContact CD-CB 4.17Å; K190-N198 PolarHBondContact NZ-OD1 3.29Å; K190-R200 WeakPolarHBondContact CE-O 3.23Å; K190-L201 VanDerWaalsContact CE-C 3.45Å; K190-L201 WeakPolarHBondContact CE-O 3.3Å; K190-L202 WeakPolarHBondContact CE-O 3.4Å; K190-L202 PolarHBondContact NZ-O 2.83Å; K190-L203 HydrophobicContact CD-CD2 3.72Å; K190-L203 HydrophobicContact CD-CG 4.48Å; K190-L203 HydrophobicContact CG-CD2 4.07Å; K190-E207 IonicContact NZ-OE2 3.41Å; K190-E207 PolarHBondContact NZ-OE2 2.77Å |
| 191 | L | 92.9 | Very high | 86.5 | Confident | 62 Ų | 62 | 52 Ų | 52 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.8 | -41.7 | 173.4 | -69.5 | 170.5 | 0 | 0 | 0 | 111.3 | V187 I188 I193 G194 L224 L227 | V187-L191 HydrophobicContact CG1-CD1 3.89Å; V187-L191 HydrophobicContact CG1-CG 4.29Å; V187-L191 WeakPolarHBondContact O-CG 3.23Å; V187-L191 PolarHBondContact O-N 2.88Å; I188-L191 PolarHBondContact O-N 3.47Å; L191-I193 VanDerWaalsContact C-N 3.28Å; L191-I193 PolarHBondContact O-N 2.93Å; L191-G194 PolarHBondContact O-N 2.92Å; L191-L224 HydrophobicContact CB-CD2 3.6Å; L191-L224 HydrophobicContact CD1-CD2 3.61Å; L191-L224 HydrophobicContact CG-CD2 4.25Å; L191-L227 HydrophobicContact CD1-CD2 4.17Å |
| 192 | L | 92.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.4 | -24.5 | -179.3 | -71.4 | 176.8 | 0 | 0 | 0 | 114.6 | I188 G189 G194 Q214 L215 H221 L224 | I188-L192 HydrophobicContact CG2-CD1 3.82Å; I188-L192 HydrophobicContact CG2-CG 4.27Å; I188-L192 WeakPolarHBondContact O-CB 3.48Å; I188-L192 VanDerWaalsContact O-CG 3.26Å; I188-L192 WeakPolarHBondContact O-CG 3.46Å; I188-L192 PolarHBondContact O-N 3Å; G189-L192 PolarHBondContact O-N 3.04Å; L192-G194 VanDerWaalsContact C-N 3.3Å; L192-Q214 HydrophobicContact CB-CB 4.5Å; L192-Q214 PolarHBondContact O-NE2 3.39Å; L192-L215 HydrophobicContact CD1-CB 4.04Å; L192-L215 HydrophobicContact CD1-CD1 4.32Å; L192-H221 HydrophobicContact CD2-CB 4.06Å; L192-H221 WeakPolarHBondContact CD2-ND1 3.22Å; L192-L224 HydrophobicContact CD2-CD1 4.22Å; L192-L224 HydrophobicContact CD2-CG 4.45Å |
| 193 | I | 90.4 | Very high | 86.4 | Confident | 26 Ų | 26 | 48.3 Ų | 48.3 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.3 | 173 | 65.5 | 165.2 | 0 | 0 | 0 | 113.1 | G189 K190 L191 K195 L203 E207 Y210 A211 | G189-I193 WeakPolarHBondContact O-CG2 3.36Å; G189-I193 PolarHBondContact O-N 3.44Å; K190-I193 HydrophobicContact CD-CD1 4.13Å; K190-I193 WeakPolarHBondContact O-CG1 3.46Å; L191-I193 VanDerWaalsContact C-N 3.28Å; L191-I193 PolarHBondContact O-N 2.93Å; I193-K195 HydrophobicContact CD1-CB 4.1Å; I193-K195 HydrophobicContact CD1-CD 3.88Å; I193-K195 HydrophobicContact CD1-CG 4.06Å; I193-K195 HydrophobicContact CG1-CB 4.21Å; I193-K195 HydrophobicContact CG1-CG 4.33Å; I193-K195 PolarHBondContact O-N 3.24Å; I193-K195 VanDerWaalsContact O-N 3.1Å; I193-L203 HydrophobicContact CD1-CD2 3.98Å; I193-E207 HydrophobicContact CD1-CB 4.23Å; I193-E207 HydrophobicContact CD1-CG 3.8Å; I193-E207 HydrophobicContact CG2-CB 4.24Å; I193-E207 HydrophobicContact CG2-CG 4.5Å; I193-Y210 HydrophobicContact CB-CD1 4.36Å; I193-Y210 HydrophobicContact CG2-CD1 3.74Å; I193-Y210 HydrophobicContact CG2-CE1 4.47Å; I193-A211 HydrophobicContact CG2-CB 4.16Å |
| 194 | G | 81.1 | Confident | 85.9 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 52% | 0.515 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 4.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | L191 L192 K196 | L191-G194 PolarHBondContact O-N 2.92Å; L192-G194 VanDerWaalsContact C-N 3.3Å; G194-K196 PolarHBondContact O-N 2.81Å |
| 195 | K | 67.5 | Low | 85.5 | Confident | 105 Ų | 105 | 52 Ų | 52 | 46% | 0.457 | 26% | 0.259 | S | S | . | . | trans | -82.9 | 98.7 | -178.7 | -74.1 | -169.2 | -177.3 | 179.4 | 0 | 111.1 | I193 E197 N198 E207 | I193-K195 HydrophobicContact CD1-CB 4.1Å; I193-K195 HydrophobicContact CD1-CD 3.88Å; I193-K195 HydrophobicContact CD1-CG 4.06Å; I193-K195 HydrophobicContact CG1-CB 4.21Å; I193-K195 HydrophobicContact CG1-CG 4.33Å; I193-K195 PolarHBondContact O-N 3.24Å; I193-K195 VanDerWaalsContact O-N 3.1Å; K195-E197 VanDerWaalsContact C-N 3.29Å; K195-E197 PolarHBondContact O-N 3.44Å; K195-N198 WeakPolarHBondContact CB-ND2 3.31Å; K195-N198 PolarHBondContact O-ND2 3.02Å; K195-E207 IonicContact NZ-OE1 3.99Å; K195-E207 PolarHBondContact NZ-OE1 2.95Å | ||
| 196 | K | 57.8 | Low | 85 | Confident | 212 Ų | 212 | 57 Ų | 57 | 92% | 0.922 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -64.1 | -29 | 179.2 | -64.1 | -176.1 | 177.8 | -178 | 0 | 114.4 | G194 | G194-K196 PolarHBondContact O-N 2.81Š|
| 197 | E | 55.2 | Low | 84.8 | Confident | 179 Ų | 179 | 57.9 Ų | 57.9 | 84% | 0.836 | 29% | 0.287 | S | S | * | . | trans | -110.9 | 107.1 | 175.9 | -69.8 | 174.3 | -177.8 | 0 | 0 | 108.2 | K195 | K195-E197 VanDerWaalsContact C-N 3.29Å; K195-E197 PolarHBondContact O-N 3.44Å | ||
| 198 | N | 65.1 | Low | 84.6 | Confident | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | trans | -137.5 | 115.4 | 165.9 | -79.9 | -71.1 | 0 | 0 | 0 | 107.8 | Q156 K190 K195 R200 | Q156-N198 PolarHBondContact NE2-O 3.36Å; K190-N198 HydrophobicContact CD-CB 4.17Å; K190-N198 PolarHBondContact NZ-OD1 3.29Å; K195-N198 WeakPolarHBondContact CB-ND2 3.31Å; K195-N198 PolarHBondContact O-ND2 3.02Å; N198-R200 PolarHBondContact O-N 3.43Å | ||
| 199 | D | 81.7 | Confident | 84.4 | Confident | 140 Ų | 140 | 59.3 Ų | 59.3 | 75% | 0.749 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -71.7 | 6.6 | 175.3 | -53.7 | -37.2 | 0 | 0 | 0 | 113 | Q156 | Q156-D199 VanDerWaalsContact CD-C 3.46Å; Q156-D199 WeakPolarHBondContact CG-O 3.28Å; Q156-D199 VanDerWaalsContact NE2-C 3.34Å; Q156-D199 PolarHBondContact NE2-O 2.89Å |
| 200 | R | 90.2 | Very high | 84.2 | Confident | 90 Ų | 90 | 65 Ų | 65 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | trans | -152.6 | 137.6 | -167.3 | -56 | -177.7 | 77.5 | -166 | 5.8 | 111.2 | E159 K190 N198 | E159-R200 IonicContact OE1-CZ 2.83Å; E159-R200 IonicContact OE1-NE 2.67Å; E159-R200 PolarHBondContact OE1-NE 2.85Å; E159-R200 IonicContact OE1-NH2 3.13Å; E159-R200 PolarHBondContact OE1-NH2 3.04Å; E159-R200 VanDerWaalsContact OE2-CB 3.29Å; E159-R200 WeakPolarHBondContact OE2-CB 3.45Å; E159-R200 VanDerWaalsContact OE2-CG 3.3Å; E159-R200 WeakPolarHBondContact OE2-CG 3.5Å; E159-R200 IonicContact OE2-CZ 2.78Å; E159-R200 IonicContact OE2-NE 2.66Å; E159-R200 PolarHBondContact OE2-NE 3.19Å; E159-R200 IonicContact OE2-NH2 3.54Å; K190-R200 WeakPolarHBondContact CE-O 3.23Å; N198-R200 PolarHBondContact O-N 3.43Å | ||
| 201 | L | 94.1 | Very high | 84.2 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -77.7 | -26.4 | 172.4 | -70.1 | 176.7 | 0 | 0 | 0 | 113.7 | I152 Q156 L160 V183 Q186 V187 K190 L203 | I152-L201 HydrophobicContact CG2-CD1 4Å; Q156-L201 HydrophobicContact CB-CD1 4.31Å; Q156-L201 HydrophobicContact CB-CG 4.03Å; L160-L201 HydrophobicContact CD2-CB 4.34Å; L160-L201 HydrophobicContact CD2-CD1 3.84Å; V183-L201 HydrophobicContact CG1-CD1 3.85Å; Q186-L201 HydrophobicContact CB-CB 4.16Å; Q186-L201 PolarHBondContact NE2-O 3.46Å; V187-L201 HydrophobicContact CG2-CD2 3.61Å; K190-L201 VanDerWaalsContact CE-C 3.45Å; K190-L201 WeakPolarHBondContact CE-O 3.3Å; L201-L203 PolarHBondContact O-N 3.1Å |
| 202 | L | 93.5 | Very high | 84.1 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 130.7 | -179.7 | -67.5 | 171.5 | 0 | 0 | 0 | 112 | E159 L160 T163 K190 L259 I261 | E159-L202 HydrophobicContact CG-CD1 3.6Å; E159-L202 HydrophobicContact CG-CG 4.33Å; L160-L202 HydrophobicContact CD1-CD2 3.57Å; L160-L202 HydrophobicContact CD1-CG 4.33Å; T163-L202 HydrophobicContact CG2-CD2 3.83Å; T163-L202 WeakPolarHBondContact OG1-CD1 3.36Å; K190-L202 WeakPolarHBondContact CE-O 3.4Å; K190-L202 PolarHBondContact NZ-O 2.83Å; L202-L259 HydrophobicContact CD2-CB 3.86Å; L202-I261 HydrophobicContact CB-CD1 4.48Å; L202-I261 HydrophobicContact CB-CG1 3.57Å; L202-I261 HydrophobicContact CD1-CG1 4.39Å |
| 203 | L | 91.5 | Very high | 84 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -86.1 | 146.4 | 176 | -66.5 | 159.3 | 0 | 0 | 0 | 109.6 | K190 I193 L201 E207 A208 F258 L259 T260 I261 | K190-L203 HydrophobicContact CD-CD2 3.72Å; K190-L203 HydrophobicContact CD-CG 4.48Å; K190-L203 HydrophobicContact CG-CD2 4.07Å; I193-L203 HydrophobicContact CD1-CD2 3.98Å; L201-L203 PolarHBondContact O-N 3.1Å; L203-E207 HydrophobicContact CB-CB 4.08Å; L203-E207 HydrophobicContact CD2-CB 3.78Å; L203-A208 HydrophobicContact CB-CB 4.08Å; L203-F258 HydrophobicContact CD1-CB 3.88Å; L203-F258 HydrophobicContact CD1-CD1 3.67Å; L203-F258 HydrophobicContact CD1-CD2 4.08Å; L203-F258 HydrophobicContact CD1-CE1 4.19Å; L203-F258 HydrophobicContact CD1-CG 3.62Å; L203-L259 PolarHBondContact N-O 3.22Å; L203-T260 CarbonylContact O-C 3.19Å; L203-T260 WeakPolarHBondContact O-CA 3.48Å; L203-T260 WeakPolarHBondContact O-CB 3.07Å; L203-I261 PolarHBondContact O-N 3.48Å |
| 204 | N | 87.8 | Confident | 84 | Confident | 44 Ų | 44 | 63.3 Ų | 63.3 | 24% | 0.235 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 161.8 | 164 | 84.9 | 64 | 0 | 0 | 0 | 110.3 | F206 E207 A208 I261 | N204-F206 VanDerWaalsContact C-N 3.29Å; N204-F206 PolarHBondContact O-N 3.34Å; N204-F206 VanDerWaalsContact O-N 3.13Å; N204-F206 WeakPolarHBondContact OD1-CB 3.24Å; N204-F206 PolarHBondContact OD1-N 3.45Å; N204-E207 PolarHBondContact N-OE2 2.89Å; N204-E207 VanDerWaalsContact N-OE2 3.07Å; N204-E207 VanDerWaalsContact ND2-CG 3.27Å; N204-E207 WeakPolarHBondContact ND2-CG 3.47Å; N204-E207 PolarHBondContact ND2-OE1 3.28Å; N204-E207 WeakPolarHBondContact O-CA 3.48Å; N204-E207 WeakPolarHBondContact O-CB 3.47Å; N204-E207 PolarHBondContact O-N 3.21Å; N204-E207 PolarHBondContact OD1-N 2.98Å; N204-A208 PolarHBondContact O-N 3.31Å; N204-I261 HydrophobicContact CB-CD1 4.35Å |
| 205 | P | 86.8 | Confident | 84.4 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -44 | -46.4 | 179.8 | -36.6 | 39.3 | 0 | 0 | 0 | 116.2 | A208 Q209 F255 | P205-A208 PolarHBondContact O-N 3.19Å; P205-Q209 PolarHBondContact O-N 3.16Å; P205-Q209 VanDerWaalsContact O-N 3.09Å; P205-F255 HydrophobicContact CB-CE1 3.55Å; P205-F255 HydrophobicContact CB-CZ 3.89Å; P205-F255 HydrophobicContact CG-CE1 3.91Å |
| 206 | F | 85.4 | Confident | 85.4 | Confident | 159 Ų | 159 | 58.7 Ų | 58.7 | 70% | 0.697 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -74.2 | -32 | -179 | -54.8 | -78.5 | 0 | 0 | 0 | 112.3 | N204 Y210 | N204-F206 VanDerWaalsContact C-N 3.29Å; N204-F206 PolarHBondContact O-N 3.34Å; N204-F206 VanDerWaalsContact O-N 3.13Å; N204-F206 WeakPolarHBondContact OD1-CB 3.24Å; N204-F206 PolarHBondContact OD1-N 3.45Å; F206-Y210 VanDerWaalsContact O-CB 3.31Å; F206-Y210 WeakPolarHBondContact O-CB 3.35Å; F206-Y210 PolarHBondContact O-N 3.16Å |
| 207 | E | 90.9 | Very high | 86.6 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 9% | 0.093 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 172.9 | -75.2 | 168.3 | -173.2 | 0 | 0 | 111.7 | K190 I193 K195 L203 N204 Y210 A211 | K190-E207 IonicContact NZ-OE2 3.41Å; K190-E207 PolarHBondContact NZ-OE2 2.77Å; I193-E207 HydrophobicContact CD1-CB 4.23Å; I193-E207 HydrophobicContact CD1-CG 3.8Å; I193-E207 HydrophobicContact CG2-CB 4.24Å; I193-E207 HydrophobicContact CG2-CG 4.5Å; K195-E207 IonicContact NZ-OE1 3.99Å; K195-E207 PolarHBondContact NZ-OE1 2.95Å; L203-E207 HydrophobicContact CB-CB 4.08Å; L203-E207 HydrophobicContact CD2-CB 3.78Å; N204-E207 PolarHBondContact N-OE2 2.89Å; N204-E207 VanDerWaalsContact N-OE2 3.07Å; N204-E207 VanDerWaalsContact ND2-CG 3.27Å; N204-E207 WeakPolarHBondContact ND2-CG 3.47Å; N204-E207 PolarHBondContact ND2-OE1 3.28Å; N204-E207 WeakPolarHBondContact O-CA 3.48Å; N204-E207 WeakPolarHBondContact O-CB 3.47Å; N204-E207 PolarHBondContact O-N 3.21Å; N204-E207 PolarHBondContact OD1-N 2.98Å; E207-Y210 PolarHBondContact O-N 3.06Å; E207-A211 VanDerWaalsContact O-CB 3.25Å; E207-A211 WeakPolarHBondContact O-CB 3.36Å; E207-A211 PolarHBondContact O-N 3.22Å |
| 208 | A | 91.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L203 N204 P205 A211 L212 F258 T260 | L203-A208 HydrophobicContact CB-CB 4.08Å; N204-A208 PolarHBondContact O-N 3.31Å; P205-A208 PolarHBondContact O-N 3.19Å; A208-A211 PolarHBondContact O-N 3.31Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 PolarHBondContact O-N 3.49Å; A208-F258 HydrophobicContact CB-CB 4.16Å; A208-F258 HydrophobicContact CB-CD2 4.08Å; A208-T260 HydrophobicContact CB-CG2 3.62Å |
| 209 | Q | 89.3 | Confident | 88.6 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 174.4 | -169.5 | 69.4 | 66 | 0 | 0 | 111.6 | P205 A211 L212 N213 P251 A254 | P205-Q209 PolarHBondContact O-N 3.16Å; P205-Q209 VanDerWaalsContact O-N 3.09Å; Q209-A211 PolarHBondContact O-N 2.92Å; Q209-L212 PolarHBondContact O-N 3.31Å; Q209-N213 PolarHBondContact NE2-OD1 3.42Å; Q209-N213 VanDerWaalsContact O-CG 3.27Å; Q209-N213 PolarHBondContact O-N 2.84Å; Q209-N213 PolarHBondContact O-OD1 3.08Å; Q209-P251 PolarHBondContact NE2-O 3.33Å; Q209-P251 PolarHBondContact OE1-O 3.1Å; Q209-P251 VanDerWaalsContact OE1-O 3.04Å; Q209-A254 HydrophobicContact CB-CB 4.47Å |
| 210 | Y | 90.6 | Very high | 88.6 | Confident | 118 Ų | 118 | 54.5 Ų | 54.5 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 179 | -178.3 | -90.3 | 0 | 0 | 0 | 111.8 | I193 F206 E207 L212 N213 Q214 | I193-Y210 HydrophobicContact CB-CD1 4.36Å; I193-Y210 HydrophobicContact CG2-CD1 3.74Å; I193-Y210 HydrophobicContact CG2-CE1 4.47Å; F206-Y210 VanDerWaalsContact O-CB 3.31Å; F206-Y210 WeakPolarHBondContact O-CB 3.35Å; F206-Y210 PolarHBondContact O-N 3.16Å; E207-Y210 PolarHBondContact O-N 3.06Å; Y210-L212 PolarHBondContact O-N 3.02Å; Y210-N213 PolarHBondContact O-N 3.3Å; Y210-Q214 HydrophobicContact CD1-CG 3.88Å; Y210-Q214 HydrophobicContact CE1-CG 3.59Å; Y210-Q214 HydrophobicContact CE2-CG 4.48Å; Y210-Q214 HydrophobicContact CG-CG 4.46Å; Y210-Q214 WeakPolarHBondContact O-CB 3.21Å; Y210-Q214 WeakPolarHBondContact O-CG 3.41Å; Y210-Q214 PolarHBondContact O-N 3.02Å; Y210-Q214 PolarHBondContact OH-NE2 3.48Å |
| 211 | A | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I193 E207 A208 Q209 Q214 L215 F258 | I193-A211 HydrophobicContact CG2-CB 4.16Å; E207-A211 VanDerWaalsContact O-CB 3.25Å; E207-A211 WeakPolarHBondContact O-CB 3.36Å; E207-A211 PolarHBondContact O-N 3.22Å; A208-A211 PolarHBondContact O-N 3.31Å; Q209-A211 PolarHBondContact O-N 2.92Å; A211-Q214 PolarHBondContact O-N 2.68Å; A211-L215 WeakPolarHBondContact O-CB 3.44Å; A211-L215 PolarHBondContact O-N 3.42Å; A211-L215 VanDerWaalsContact O-N 3.08Å; A211-F258 HydrophobicContact CB-CD2 4.45Å; A211-F258 HydrophobicContact CB-CE2 3.62Å; A211-F258 HydrophobicContact CB-CZ 3.77Å |
| 212 | L | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.1 | -48.8 | 178.4 | 179.6 | 60.6 | 0 | 0 | 0 | 110.9 | A208 Q209 Y210 Q214 L215 Q216 L248 A254 F257 F258 | A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 PolarHBondContact O-N 3.49Å; Q209-L212 PolarHBondContact O-N 3.31Å; Y210-L212 PolarHBondContact O-N 3.02Å; L212-Q214 VanDerWaalsContact C-N 3.28Å; L212-Q214 PolarHBondContact O-N 3.14Å; L212-L215 WeakPolarHBondContact O-CB 3.48Å; L212-L215 PolarHBondContact O-N 2.99Å; L212-L215 VanDerWaalsContact O-N 3.12Å; L212-Q216 HydrophobicContact CD1-CG 4.11Å; L212-Q216 HydrophobicContact CG-CG 4.42Å; L212-Q216 WeakPolarHBondContact O-CG 3.42Å; L212-Q216 PolarHBondContact O-N 3.16Å; L212-L248 HydrophobicContact CD1-CD1 4.1Å; L212-L248 HydrophobicContact CD2-CD1 4.35Å; L212-A254 HydrophobicContact CB-CB 4.36Å; L212-A254 HydrophobicContact CD2-CB 3.89Å; L212-F257 HydrophobicContact CD1-CD1 4.11Å; L212-F257 HydrophobicContact CD1-CE1 4.36Å; L212-F257 HydrophobicContact CD1-CG 4.38Å; L212-F258 HydrophobicContact CB-CE2 4.04Å |
| 213 | N | 89.1 | Confident | 88.1 | Confident | 56 Ų | 56 | 61.1 Ų | 61.1 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 177.9 | -67.2 | 21.3 | 0 | 0 | 0 | 111 | Q209 Y210 L215 Q216 E217 | Q209-N213 PolarHBondContact NE2-OD1 3.42Å; Q209-N213 VanDerWaalsContact O-CG 3.27Å; Q209-N213 PolarHBondContact O-N 2.84Å; Q209-N213 PolarHBondContact O-OD1 3.08Å; Y210-N213 PolarHBondContact O-N 3.3Å; N213-L215 PolarHBondContact O-N 2.93Å; N213-Q216 PolarHBondContact O-N 3.46Å; N213-E217 VanDerWaalsContact O-CB 3.3Å; N213-E217 WeakPolarHBondContact O-CB 3.25Å; N213-E217 VanDerWaalsContact O-CG 3.3Å; N213-E217 WeakPolarHBondContact O-CG 3.5Å; N213-E217 PolarHBondContact O-N 3.34Å |
| 214 | Q | 90.4 | Very high | 88.1 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 176.8 | -65.6 | -97.9 | 92.1 | 0 | 0 | 111.3 | L192 Y210 A211 L212 Q216 K218 H221 | L192-Q214 HydrophobicContact CB-CB 4.5Å; L192-Q214 PolarHBondContact O-NE2 3.39Å; Y210-Q214 HydrophobicContact CD1-CG 3.88Å; Y210-Q214 HydrophobicContact CE1-CG 3.59Å; Y210-Q214 HydrophobicContact CE2-CG 4.48Å; Y210-Q214 HydrophobicContact CG-CG 4.46Å; Y210-Q214 WeakPolarHBondContact O-CB 3.21Å; Y210-Q214 WeakPolarHBondContact O-CG 3.41Å; Y210-Q214 PolarHBondContact O-N 3.02Å; Y210-Q214 PolarHBondContact OH-NE2 3.48Å; A211-Q214 PolarHBondContact O-N 2.68Å; L212-Q214 VanDerWaalsContact C-N 3.28Å; L212-Q214 PolarHBondContact O-N 3.14Å; Q214-Q216 VanDerWaalsContact C-N 3.33Å; Q214-Q216 PolarHBondContact O-N 3.33Å; Q214-K218 WeakPolarHBondContact O-CB 3.4Å; Q214-K218 PolarHBondContact O-N 2.83Å; Q214-K218 VanDerWaalsContact O-N 3.13Å; Q214-K218 VanDerWaalsContact OE1-CE 3.27Å; Q214-H221 PolarHBondContact O-CE1 3.03Å; Q214-H221 VanDerWaalsContact O-CE1 3.28Å |
| 215 | L | 90.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -36.9 | -179.6 | -174 | 64.6 | 0 | 0 | 0 | 112.8 | L192 A211 L212 N213 F238 L241 R242 S245 F257 | L192-L215 HydrophobicContact CD1-CB 4.04Å; L192-L215 HydrophobicContact CD1-CD1 4.32Å; A211-L215 WeakPolarHBondContact O-CB 3.44Å; A211-L215 PolarHBondContact O-N 3.42Å; A211-L215 VanDerWaalsContact O-N 3.08Å; L212-L215 WeakPolarHBondContact O-CB 3.48Å; L212-L215 PolarHBondContact O-N 2.99Å; L212-L215 VanDerWaalsContact O-N 3.12Å; N213-L215 PolarHBondContact O-N 2.93Å; L215-F238 HydrophobicContact CD1-CD2 4.35Å; L215-F238 HydrophobicContact CD1-CE2 3.38Å; L215-F238 HydrophobicContact CD1-CZ 3.68Å; L215-L241 HydrophobicContact CD2-CG 4.49Å; L215-R242 HydrophobicContact CD1-CB 4.11Å; L215-R242 HydrophobicContact CD1-CG 4.2Å; L215-R242 HydrophobicContact CG-CG 4.5Å; L215-S245 WeakPolarHBondContact CG-OG 3.36Å; L215-F257 HydrophobicContact CD2-CE1 3.65Å; L215-F257 HydrophobicContact CD2-CZ 3.65Å |
| 216 | Q | 87.2 | Confident | 88.5 | Confident | 59 Ų | 59 | 67 Ų | 67 | 28% | 0.276 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -75.6 | -47.4 | 177.6 | -70.4 | 176.1 | -31.7 | 0 | 0 | 112.6 | L212 N213 Q214 S245 | L212-Q216 HydrophobicContact CD1-CG 4.11Å; L212-Q216 HydrophobicContact CG-CG 4.42Å; L212-Q216 WeakPolarHBondContact O-CG 3.42Å; L212-Q216 PolarHBondContact O-N 3.16Å; N213-Q216 PolarHBondContact O-N 3.46Å; Q214-Q216 VanDerWaalsContact C-N 3.33Å; Q214-Q216 PolarHBondContact O-N 3.33Å; Q216-S245 PolarHBondContact NE2-O 2.68Å |
| 217 | E | 84 | Confident | 88.9 | Confident | 145 Ų | 145 | 60.2 Ų | 60.2 | 68% | 0.678 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -80.3 | -30.4 | -169.9 | -69.5 | 177.7 | -173.2 | 0 | 0 | 114.4 | N213 | N213-E217 VanDerWaalsContact O-CB 3.3Å; N213-E217 WeakPolarHBondContact O-CB 3.25Å; N213-E217 VanDerWaalsContact O-CG 3.3Å; N213-E217 WeakPolarHBondContact O-CG 3.5Å; N213-E217 PolarHBondContact O-N 3.34Å |
| 218 | K | 82.3 | Confident | 89.1 | Confident | 80 Ų | 80 | 61 Ų | 61 | 35% | 0.348 | 29% | 0.287 | S | S | . | . | trans | -98.9 | 146.3 | -173.3 | -68.7 | 175.8 | 174.6 | 171.2 | 0 | 112.2 | Q214 R242 | Q214-K218 WeakPolarHBondContact O-CB 3.4Å; Q214-K218 PolarHBondContact O-N 2.83Å; Q214-K218 VanDerWaalsContact O-N 3.13Å; Q214-K218 VanDerWaalsContact OE1-CE 3.27Å; K218-R242 PolarHBondContact O-NE 3.14Å; K218-R242 PolarHBondContact O-NH2 3.26Å | ||
| 219 | N | 78.6 | Confident | 89.2 | Confident | 139 Ų | 139 | 68.6 Ų | 68.6 | 74% | 0.743 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -97 | -12.2 | 172.5 | -72 | -49.2 | 0 | 0 | 0 | 113.2 | R242 | N219-R242 PolarHBondContact OD1-NH2 3.07Š|
| 220 | H | 83.3 | Confident | 89.4 | Confident | 124 Ų | 124 | 72.8 Ų | 72.8 | 57% | 0.574 | 35% | 0.346 | S | S | * | . | trans | -147.4 | 138.4 | -179 | -174.9 | 66.5 | 0 | 0 | 0 | 110.2 | N225 | H220-N225 PolarHBondContact CE1-OD1 2.79Å; H220-N225 PolarHBondContact NE2-ND2 3.14Å | ||
| 221 | H | 86.9 | Confident | 89.6 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | trans | -130.5 | 100.6 | -176.9 | -56.8 | -84.4 | 0 | 0 | 0 | 108.1 | L192 Q214 E223 L224 N225 F238 | L192-H221 HydrophobicContact CD2-CB 4.06Å; L192-H221 WeakPolarHBondContact CD2-ND1 3.22Å; Q214-H221 PolarHBondContact O-CE1 3.03Å; Q214-H221 VanDerWaalsContact O-CE1 3.28Å; H221-E223 PolarHBondContact O-N 3.37Å; H221-L224 HydrophobicContact CB-CB 4.17Å; H221-L224 HydrophobicContact CB-CD1 3.73Å; H221-L224 HydrophobicContact CB-CG 3.73Å; H221-L224 PolarHBondContact O-N 3.26Å; H221-N225 PolarHBondContact O-OD1 2.88Å; H221-F238 AromaticContact CD2-CZ 3.53Å; H221-F238 AromaticContact NE2-CZ 3.8Å | ||
| 222 | Q | 89.2 | Confident | 89.7 | Confident | 150 Ų | 150 | 76.1 Ų | 76.1 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -61.2 | -29 | -177.7 | -176.5 | 179.9 | -25.2 | 0 | 0 | 111.5 | L224 N225 | Q222-L224 PolarHBondContact O-N 2.91Å; Q222-N225 PolarHBondContact O-N 3.47Å |
| 223 | E | 89.6 | Confident | 89.9 | Confident | 87 Ų | 87 | 76.2 Ų | 76.2 | 41% | 0.407 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -63.5 | -26 | 177.6 | -55.4 | 82.2 | 178.6 | 0 | 0 | 112.9 | H221 | H221-E223 PolarHBondContact O-N 3.37Š|
| 224 | L | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -95.5 | -12.2 | -178 | -56.3 | -176.9 | 0 | 0 | 0 | 113.3 | I188 L191 L192 H221 Q222 Q226 L227 F228 F238 | I188-L224 HydrophobicContact CD1-CD1 4.11Å; I188-L224 HydrophobicContact CD1-CD2 3.77Å; I188-L224 HydrophobicContact CG2-CD1 4.42Å; L191-L224 HydrophobicContact CB-CD2 3.6Å; L191-L224 HydrophobicContact CD1-CD2 3.61Å; L191-L224 HydrophobicContact CG-CD2 4.25Å; L192-L224 HydrophobicContact CD2-CD1 4.22Å; L192-L224 HydrophobicContact CD2-CG 4.45Å; H221-L224 HydrophobicContact CB-CB 4.17Å; H221-L224 HydrophobicContact CB-CD1 3.73Å; H221-L224 HydrophobicContact CB-CG 3.73Å; H221-L224 PolarHBondContact O-N 3.26Å; Q222-L224 PolarHBondContact O-N 2.91Å; L224-Q226 VanDerWaalsContact C-N 3.29Å; L224-Q226 PolarHBondContact O-N 3.25Å; L224-L227 WeakPolarHBondContact O-CB 3.48Å; L224-L227 PolarHBondContact O-N 3.2Å; L224-F228 HydrophobicContact CB-CD2 4.16Å; L224-F228 HydrophobicContact CB-CE1 4.29Å; L224-F228 HydrophobicContact CB-CE2 3.47Å; L224-F228 VanDerWaalsContact CB-CE2 3.47Å; L224-F228 HydrophobicContact CB-CZ 3.54Å; L224-F228 HydrophobicContact CD1-CE2 4.31Å; L224-F228 HydrophobicContact CD1-CZ 3.83Å; L224-F228 HydrophobicContact CG-CZ 4.31Å; L224-F228 WeakPolarHBondContact O-CD2 3.23Å; L224-F228 WeakPolarHBondContact O-CG 3.18Å; L224-F228 PolarHBondContact O-N 2.67Å; L224-F228 VanDerWaalsContact O-N 3.08Å; L224-F238 HydrophobicContact CD1-CD2 3.72Å; L224-F238 HydrophobicContact CD1-CE2 3.3Å; L224-F238 HydrophobicContact CD1-CZ 3.82Å |
| 225 | N | 91.9 | Very high | 90.6 | Very high | 48 Ų | 48 | 78.5 Ų | 78.5 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.7 | -41.5 | -176.2 | -70.2 | -16.2 | 0 | 0 | 0 | 112.5 | H220 H221 Q222 L227 F228 E229 | H220-N225 PolarHBondContact CE1-OD1 2.79Å; H220-N225 PolarHBondContact NE2-ND2 3.14Å; H221-N225 PolarHBondContact O-OD1 2.88Å; Q222-N225 PolarHBondContact O-N 3.47Å; N225-L227 VanDerWaalsContact C-N 3.27Å; N225-L227 PolarHBondContact O-N 3.29Å; N225-F228 PolarHBondContact O-N 3.08Å; N225-E229 WeakPolarHBondContact O-CG 3.41Å; N225-E229 PolarHBondContact O-N 2.6Å |
| 226 | Q | 91.2 | Very high | 90.8 | Very high | 155 Ų | 155 | 81.1 Ų | 81.1 | 72% | 0.724 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.1 | -34.2 | 177.1 | -69.6 | -174.1 | -15.2 | 0 | 0 | 112.7 | L224 L230 | L224-Q226 VanDerWaalsContact C-N 3.29Å; L224-Q226 PolarHBondContact O-N 3.25Å; Q226-L230 WeakPolarHBondContact O-CG 3.31Å |
| 227 | L | 92.9 | Very high | 91.2 | Very high | 15 Ų | 15 | 78.5 Ų | 78.5 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.6 | -46.5 | 175.9 | 176.6 | 57.9 | 0 | 0 | 0 | 110.2 | F148 F184 I188 L191 L224 N225 E229 L230 Y234 | F148-L227 HydrophobicContact CD2-CD1 4.06Å; F148-L227 HydrophobicContact CE2-CD1 3.7Å; F148-L227 HydrophobicContact CE2-CD2 4.43Å; F184-L227 HydrophobicContact CE2-CD2 3.84Å; F184-L227 HydrophobicContact CZ-CD2 4.34Å; I188-L227 HydrophobicContact CD1-CD2 3.76Å; L191-L227 HydrophobicContact CD1-CD2 4.17Å; L224-L227 WeakPolarHBondContact O-CB 3.48Å; L224-L227 PolarHBondContact O-N 3.2Å; N225-L227 VanDerWaalsContact C-N 3.27Å; N225-L227 PolarHBondContact O-N 3.29Å; L227-E229 VanDerWaalsContact C-N 3.28Å; L227-E229 PolarHBondContact O-N 2.98Å; L227-L230 HydrophobicContact CD1-CD1 4.49Å; L227-L230 WeakPolarHBondContact O-CB 3.41Å; L227-L230 PolarHBondContact O-N 3.02Å; L227-L230 VanDerWaalsContact O-N 3.08Å; L227-Y234 HydrophobicContact CD1-CD2 3.54Å; L227-Y234 HydrophobicContact CD1-CE2 4.04Å; L227-Y234 HydrophobicContact CD1-CG 4Å; L227-Y234 HydrophobicContact CG-CD2 4.17Å; L227-Y234 HydrophobicContact CG-CG 4.38Å; L227-Y234 WeakPolarHBondContact O-CD2 3.44Å |
| 228 | F | 94.6 | Very high | 91.7 | Very high | 37 Ų | 37 | 71.8 Ų | 71.8 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.1 | -26.6 | 179.4 | -54 | -32 | 0 | 0 | 0 | 113.6 | L224 N225 L230 Y235 F238 | L224-F228 HydrophobicContact CB-CD2 4.16Å; L224-F228 HydrophobicContact CB-CE1 4.29Å; L224-F228 HydrophobicContact CB-CE2 3.47Å; L224-F228 VanDerWaalsContact CB-CE2 3.47Å; L224-F228 HydrophobicContact CB-CZ 3.54Å; L224-F228 HydrophobicContact CD1-CE2 4.31Å; L224-F228 HydrophobicContact CD1-CZ 3.83Å; L224-F228 HydrophobicContact CG-CZ 4.31Å; L224-F228 WeakPolarHBondContact O-CD2 3.23Å; L224-F228 WeakPolarHBondContact O-CG 3.18Å; L224-F228 PolarHBondContact O-N 2.67Å; L224-F228 VanDerWaalsContact O-N 3.08Å; N225-F228 PolarHBondContact O-N 3.08Å; F228-L230 VanDerWaalsContact C-N 3.3Å; F228-L230 PolarHBondContact O-N 3.49Å; F228-Y235 HydrophobicContact CD1-CD2 4.33Å; F228-Y235 AromaticContact CD2-CD2 3.92Å; F228-Y235 HydrophobicContact CD2-CD2 3.92Å; F228-Y235 HydrophobicContact CE1-CD2 4.45Å; F228-Y235 HydrophobicContact CE2-CD2 4.04Å; F228-Y235 HydrophobicContact CG-CD2 4.08Å; F228-Y235 HydrophobicContact CZ-CD2 4.3Å; F228-F238 HydrophobicContact CE1-CB 3.63Å; F228-F238 HydrophobicContact CE1-CD1 4.34Å; F228-F238 HydrophobicContact CE1-CD2 4.48Å; F228-F238 AromaticContact CE1-CG 3.89Å; F228-F238 HydrophobicContact CE1-CG 3.89Å; F228-F238 HydrophobicContact CE2-CD1 4.31Å; F228-F238 HydrophobicContact CZ-CB 3.75Å; F228-F238 AromaticContact CZ-CD1 3.6Å; F228-F238 HydrophobicContact CZ-CD1 3.6Å; F228-F238 AromaticContact CZ-CD2 3.96Å; F228-F238 HydrophobicContact CZ-CD2 3.96Å; F228-F238 HydrophobicContact CZ-CE1 4.22Å; F228-F238 AromaticContact CZ-CG 3.46Å; F228-F238 HydrophobicContact CZ-CG 3.46Å; F228-F238 VanDerWaalsContact CZ-CG 3.46Å |
| 229 | E | 94.4 | Very high | 92.2 | Very high | 160 Ų | 160 | 71.2 Ų | 71.2 | 75% | 0.748 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.4 | -23.4 | 171.7 | -76.9 | 171.8 | -167.6 | 0 | 0 | 113.4 | N225 L227 | N225-E229 WeakPolarHBondContact O-CG 3.41Å; N225-E229 PolarHBondContact O-N 2.6Å; L227-E229 VanDerWaalsContact C-N 3.28Å; L227-E229 PolarHBondContact O-N 2.98Å |
| 230 | L | 93.9 | Very high | 92.8 | Very high | 136 Ų | 136 | 68.6 Ų | 68.6 | 71% | 0.712 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -75.2 | -41.8 | 178 | -66.8 | 171.5 | 0 | 0 | 0 | 112.6 | Q226 L227 F228 Y234 | Q226-L230 WeakPolarHBondContact O-CG 3.31Å; L227-L230 HydrophobicContact CD1-CD1 4.49Å; L227-L230 WeakPolarHBondContact O-CB 3.41Å; L227-L230 PolarHBondContact O-N 3.02Å; L227-L230 VanDerWaalsContact O-N 3.08Å; F228-L230 VanDerWaalsContact C-N 3.3Å; F228-L230 PolarHBondContact O-N 3.49Å; L230-Y234 HydrophobicContact CB-CD2 4.35Å; L230-Y234 HydrophobicContact CB-CE2 3.98Å |
| 231 | N | 94.6 | Very high | 93.2 | Very high | 59 Ų | 59 | 63 Ų | 63 | 32% | 0.316 | 30% | 0.295 | S | S | . | . | trans | -159.2 | 131.6 | 178.8 | -162.5 | -33 | 0 | 0 | 0 | 111.1 | A144 Y233 Y234 | A144-N231 VanDerWaalsContact CB-ND2 3.35Å; A144-N231 WeakPolarHBondContact CB-ND2 3.23Å; N231-Y233 PolarHBondContact O-N 3.11Å; N231-Y233 WeakPolarHBondContact OD1-CB 3.49Å; N231-Y233 PolarHBondContact OD1-N 3.48Å; N231-Y234 HydrophobicContact CB-CD2 3.68Å; N231-Y234 HydrophobicContact CB-CE1 4.47Å; N231-Y234 HydrophobicContact CB-CE2 3.47Å; N231-Y234 VanDerWaalsContact CB-CE2 3.47Å; N231-Y234 HydrophobicContact CB-CG 4.29Å; N231-Y234 PolarHBondContact O-N 3.2Å; N231-Y234 VanDerWaalsContact O-N 3.11Å | ||
| 232 | E | 94.6 | Very high | 93.4 | Very high | 128 Ų | 128 | 63.9 Ų | 63.9 | 60% | 0.598 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.9 | -26.4 | 175 | -160.6 | -153.1 | 118.5 | 0 | 0 | 112.5 | Y234 Y235 R236 | E232-Y234 VanDerWaalsContact C-N 3.27Å; E232-Y234 PolarHBondContact O-N 3.45Å; E232-Y235 PolarHBondContact O-N 2.92Å; E232-Y235 VanDerWaalsContact O-N 3.12Å; E232-R236 PolarHBondContact O-N 2.96Å; E232-R236 IonicContact OE1-CZ 3.46Å; E232-R236 IonicContact OE1-NH1 3.56Å; E232-R236 PolarHBondContact OE1-NH1 2.85Å |
| 233 | Y | 96.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -49.8 | -48.1 | 172.3 | -169.7 | -104.5 | 0 | 0 | 0 | 111.8 | E123 N141 A144 E145 F180 N231 Y235 R236 I237 | E123-Y233 HydrophobicContact CB-CE2 3.83Å; E123-Y233 PolarHBondContact N-OH 2.74Å; E123-Y233 VanDerWaalsContact N-OH 3.14Å; N141-Y233 HydrophobicContact CB-CD2 4.32Å; N141-Y233 HydrophobicContact CB-CE2 3.64Å; A144-Y233 HydrophobicContact CB-CD1 3.57Å; A144-Y233 HydrophobicContact CB-CD2 4.45Å; A144-Y233 HydrophobicContact CB-CE1 4.28Å; A144-Y233 HydrophobicContact CB-CG 3.67Å; E145-Y233 HydrophobicContact CG-CE1 3.61Å; E145-Y233 PolarHBondContact OE1-OH 2.71Å; F180-Y233 HydrophobicContact CD1-CE1 4.36Å; F180-Y233 HydrophobicContact CE1-CD1 4.41Å; F180-Y233 AromaticContact CE1-CE1 3.77Å; F180-Y233 HydrophobicContact CE1-CE1 3.77Å; F180-Y233 HydrophobicContact CZ-CD1 4.24Å; F180-Y233 HydrophobicContact CZ-CE1 4.05Å; N231-Y233 PolarHBondContact O-N 3.11Å; N231-Y233 WeakPolarHBondContact OD1-CB 3.49Å; N231-Y233 PolarHBondContact OD1-N 3.48Å; Y233-Y235 VanDerWaalsContact C-N 3.26Å; Y233-Y235 PolarHBondContact O-N 2.73Å; Y233-R236 PolarHBondContact O-N 2.76Å; Y233-R236 VanDerWaalsContact O-N 3.1Å; Y233-I237 HydrophobicContact CD1-CG1 3.98Å; Y233-I237 HydrophobicContact CE1-CD1 4.13Å; Y233-I237 HydrophobicContact CE1-CG1 3.68Å; Y233-I237 HydrophobicContact CE2-CD1 4.31Å; Y233-I237 HydrophobicContact CE2-CG1 4.46Å; Y233-I237 WeakPolarHBondContact O-CG1 3.41Å; Y233-I237 PolarHBondContact O-N 3.28Å |
| 234 | Y | 97.2 | Very high | 93.2 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -30.3 | -177.1 | -52.1 | -36 | 0 | 0 | 0 | 112.5 | A144 F148 F180 F184 L227 L230 N231 E232 F238 | A144-Y234 HydrophobicContact CB-CE1 4.11Å; A144-Y234 WeakPolarHBondContact O-CE1 3.42Å; A144-Y234 PolarHBondContact O-OH 2.99Å; F148-Y234 HydrophobicContact CB-CE1 3.91Å; F148-Y234 HydrophobicContact CD2-CE1 4.11Å; F148-Y234 HydrophobicContact CD2-CE2 4.5Å; F148-Y234 HydrophobicContact CG-CE1 4.31Å; F180-Y234 HydrophobicContact CE2-CD1 4.04Å; F180-Y234 AromaticContact CE2-CE1 3.93Å; F180-Y234 HydrophobicContact CE2-CE1 3.93Å; F180-Y234 AromaticContact CZ-CD1 3.91Å; F180-Y234 HydrophobicContact CZ-CD1 3.91Å; F180-Y234 HydrophobicContact CZ-CE1 4.22Å; F184-Y234 HydrophobicContact CE2-CD1 4.19Å; F184-Y234 HydrophobicContact CE2-CG 4.26Å; F184-Y234 WeakPolarHBondContact CZ-O 3.45Å; L227-Y234 HydrophobicContact CD1-CD2 3.54Å; L227-Y234 HydrophobicContact CD1-CE2 4.04Å; L227-Y234 HydrophobicContact CD1-CG 4Å; L227-Y234 HydrophobicContact CG-CD2 4.17Å; L227-Y234 HydrophobicContact CG-CG 4.38Å; L227-Y234 WeakPolarHBondContact O-CD2 3.44Å; L230-Y234 HydrophobicContact CB-CD2 4.35Å; L230-Y234 HydrophobicContact CB-CE2 3.98Å; N231-Y234 HydrophobicContact CB-CD2 3.68Å; N231-Y234 HydrophobicContact CB-CE1 4.47Å; N231-Y234 HydrophobicContact CB-CE2 3.47Å; N231-Y234 VanDerWaalsContact CB-CE2 3.47Å; N231-Y234 HydrophobicContact CB-CG 4.29Å; N231-Y234 PolarHBondContact O-N 3.2Å; N231-Y234 VanDerWaalsContact O-N 3.11Å; E232-Y234 VanDerWaalsContact C-N 3.27Å; E232-Y234 PolarHBondContact O-N 3.45Å; Y234-F238 VanDerWaalsContact O-CB 3.23Å; Y234-F238 WeakPolarHBondContact O-CB 3.46Å; Y234-F238 PolarHBondContact O-N 3.44Å |
| 235 | Y | 95.4 | Very high | 92.9 | Very high | 107 Ų | 107 | 56.1 Ų | 56.1 | 42% | 0.42 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.9 | -42.1 | 173.6 | 179.1 | -104.9 | 0 | 0 | 0 | 111.7 | F228 E232 Y233 F238 E239 | F228-Y235 HydrophobicContact CD1-CD2 4.33Å; F228-Y235 AromaticContact CD2-CD2 3.92Å; F228-Y235 HydrophobicContact CD2-CD2 3.92Å; F228-Y235 HydrophobicContact CE1-CD2 4.45Å; F228-Y235 HydrophobicContact CE2-CD2 4.04Å; F228-Y235 HydrophobicContact CG-CD2 4.08Å; F228-Y235 HydrophobicContact CZ-CD2 4.3Å; E232-Y235 PolarHBondContact O-N 2.92Å; E232-Y235 VanDerWaalsContact O-N 3.12Å; Y233-Y235 VanDerWaalsContact C-N 3.26Å; Y233-Y235 PolarHBondContact O-N 2.73Å; Y235-F238 PolarHBondContact O-N 3.42Å; Y235-E239 HydrophobicContact CE1-CG 3.99Å; Y235-E239 HydrophobicContact CE2-CG 4.05Å; Y235-E239 PolarHBondContact O-N 3.02Å |
| 236 | R | 94.5 | Very high | 92.5 | Very high | 55 Ų | 55 | 58.9 Ų | 58.9 | 21% | 0.208 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 178.3 | -61.5 | -163.1 | -55.3 | -78.8 | -7.5 | 112.3 | E123 R137 E232 Y233 F238 E239 Q240 | E123-R236 IonicContact OE1-CZ 3.06Å; E123-R236 IonicContact OE1-NE 3.57Å; E123-R236 PolarHBondContact OE1-NE 3.48Å; E123-R236 IonicContact OE1-NH2 3.96Å; E123-R236 IonicContact OE2-CZ 2.79Å; E123-R236 IonicContact OE2-NE 2.79Å; E123-R236 IonicContact OE2-NH2 3.84Å; E123-R236 PolarHBondContact OE2-NH2 3.15Å; R137-R236 VanDerWaalsContact NH2-NH2 3.17Å; E232-R236 PolarHBondContact O-N 2.96Å; E232-R236 IonicContact OE1-CZ 3.46Å; E232-R236 IonicContact OE1-NH1 3.56Å; E232-R236 PolarHBondContact OE1-NH1 2.85Å; Y233-R236 PolarHBondContact O-N 2.76Å; Y233-R236 VanDerWaalsContact O-N 3.1Å; R236-F238 VanDerWaalsContact C-N 3.34Å; R236-E239 PolarHBondContact O-N 2.95Å; R236-Q240 PolarHBondContact O-N 3.32Å; R236-Q240 VanDerWaalsContact O-N 3.16Å |
| 237 | I | 95.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 174.7 | -55.8 | -56.2 | 0 | 0 | 0 | 111.3 | A122 E123 F180 F184 Y233 E239 Q240 L241 | A122-I237 HydrophobicContact CB-CD1 3.68Å; A122-I237 HydrophobicContact CB-CG1 4.34Å; A122-I237 HydrophobicContact CB-CG2 4.48Å; E123-I237 HydrophobicContact CB-CD1 3.76Å; F180-I237 HydrophobicContact CE1-CB 4.41Å; F180-I237 HydrophobicContact CE1-CG1 4.04Å; F180-I237 HydrophobicContact CE1-CG2 4.04Å; F184-I237 HydrophobicContact CD1-CG2 3.87Å; F184-I237 HydrophobicContact CE1-CB 4.19Å; F184-I237 HydrophobicContact CE1-CG2 3.8Å; F184-I237 HydrophobicContact CZ-CB 4.49Å; Y233-I237 HydrophobicContact CD1-CG1 3.98Å; Y233-I237 HydrophobicContact CE1-CD1 4.13Å; Y233-I237 HydrophobicContact CE1-CG1 3.68Å; Y233-I237 HydrophobicContact CE2-CD1 4.31Å; Y233-I237 HydrophobicContact CE2-CG1 4.46Å; Y233-I237 WeakPolarHBondContact O-CG1 3.41Å; Y233-I237 PolarHBondContact O-N 3.28Å; I237-E239 PolarHBondContact O-N 2.96Å; I237-Q240 WeakPolarHBondContact O-CB 3.14Å; I237-Q240 PolarHBondContact O-N 3.43Å; I237-L241 WeakPolarHBondContact O-CB 3.46Å; I237-L241 PolarHBondContact O-N 2.7Å |
| 238 | F | 95.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 2% | 0.022 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 174.6 | 171.7 | -95.7 | 0 | 0 | 0 | 112.6 | F184 I188 L215 H221 L224 F228 Y234 Y235 R236 Q240 L241 R242 | F184-F238 HydrophobicContact CE1-CB 4.41Å; F184-F238 HydrophobicContact CZ-CB 4.33Å; I188-F238 HydrophobicContact CD1-CD2 4.04Å; I188-F238 HydrophobicContact CG1-CD2 4.42Å; I188-F238 HydrophobicContact CG2-CD2 4.17Å; I188-F238 HydrophobicContact CG2-CE2 4.1Å; L215-F238 HydrophobicContact CD1-CD2 4.35Å; L215-F238 HydrophobicContact CD1-CE2 3.38Å; L215-F238 HydrophobicContact CD1-CZ 3.68Å; H221-F238 AromaticContact CD2-CZ 3.53Å; H221-F238 AromaticContact NE2-CZ 3.8Å; L224-F238 HydrophobicContact CD1-CD2 3.72Å; L224-F238 HydrophobicContact CD1-CE2 3.3Å; L224-F238 HydrophobicContact CD1-CZ 3.82Å; F228-F238 HydrophobicContact CE1-CB 3.63Å; F228-F238 HydrophobicContact CE1-CD1 4.34Å; F228-F238 HydrophobicContact CE1-CD2 4.48Å; F228-F238 AromaticContact CE1-CG 3.89Å; F228-F238 HydrophobicContact CE1-CG 3.89Å; F228-F238 HydrophobicContact CE2-CD1 4.31Å; F228-F238 HydrophobicContact CZ-CB 3.75Å; F228-F238 AromaticContact CZ-CD1 3.6Å; F228-F238 HydrophobicContact CZ-CD1 3.6Å; F228-F238 AromaticContact CZ-CD2 3.96Å; F228-F238 HydrophobicContact CZ-CD2 3.96Å; F228-F238 HydrophobicContact CZ-CE1 4.22Å; F228-F238 AromaticContact CZ-CG 3.46Å; F228-F238 HydrophobicContact CZ-CG 3.46Å; F228-F238 VanDerWaalsContact CZ-CG 3.46Å; Y234-F238 VanDerWaalsContact O-CB 3.23Å; Y234-F238 WeakPolarHBondContact O-CB 3.46Å; Y234-F238 PolarHBondContact O-N 3.44Å; Y235-F238 PolarHBondContact O-N 3.42Å; R236-F238 VanDerWaalsContact C-N 3.34Å; F238-Q240 VanDerWaalsContact C-N 3.35Å; F238-Q240 PolarHBondContact O-N 2.92Å; F238-L241 PolarHBondContact O-N 3.05Å; F238-R242 HydrophobicContact CE1-CB 4.49Å; F238-R242 VanDerWaalsContact O-CB 3.23Å; F238-R242 WeakPolarHBondContact O-CB 3.49Å; F238-R242 PolarHBondContact O-N 3.46Å |
| 239 | E | 92.8 | Very high | 90.1 | Very high | 68 Ų | 68 | 64.8 Ų | 64.8 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 177.1 | -71.1 | -66.3 | 124.5 | 0 | 0 | 112.2 | Y235 R236 I237 G243 | Y235-E239 HydrophobicContact CE1-CG 3.99Å; Y235-E239 HydrophobicContact CE2-CG 4.05Å; Y235-E239 PolarHBondContact O-N 3.02Å; R236-E239 PolarHBondContact O-N 2.95Å; I237-E239 PolarHBondContact O-N 2.96Å; E239-G243 PolarHBondContact O-N 3.48Å |
| 240 | Q | 91.6 | Very high | 88.7 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.8 | -51.3 | 170.6 | -69 | 170.9 | -23.2 | 0 | 0 | 111.6 | A122 R236 I237 F238 R242 G243 I244 | A122-Q240 PolarHBondContact O-OE1 3.26Å; R236-Q240 PolarHBondContact O-N 3.32Å; R236-Q240 VanDerWaalsContact O-N 3.16Å; I237-Q240 WeakPolarHBondContact O-CB 3.14Å; I237-Q240 PolarHBondContact O-N 3.43Å; F238-Q240 VanDerWaalsContact C-N 3.35Å; F238-Q240 PolarHBondContact O-N 2.92Å; Q240-R242 VanDerWaalsContact C-N 3.27Å; Q240-R242 PolarHBondContact O-N 2.95Å; Q240-G243 WeakPolarHBondContact O-CA 3.32Å; Q240-G243 PolarHBondContact O-N 2.77Å; Q240-G243 VanDerWaalsContact O-N 3.08Å; Q240-I244 WeakPolarHBondContact O-CG1 3.29Å; Q240-I244 PolarHBondContact O-N 2.94Å |
| 241 | L | 91.3 | Very high | 86.8 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 179.2 | -178.7 | 65.3 | 0 | 0 | 0 | 111.8 | F184 R185 I188 L215 I237 F238 I244 S245 F257 | F184-L241 HydrophobicContact CD1-CD2 4.47Å; F184-L241 HydrophobicContact CE1-CD2 4.48Å; R185-L241 HydrophobicContact CB-CD1 4.36Å; R185-L241 HydrophobicContact CB-CD2 4.37Å; R185-L241 HydrophobicContact CG-CD1 3.84Å; R185-L241 HydrophobicContact CG-CD2 4.23Å; I188-L241 HydrophobicContact CB-CD2 4.28Å; I188-L241 HydrophobicContact CG1-CD2 4.21Å; I188-L241 HydrophobicContact CG2-CD2 4.29Å; L215-L241 HydrophobicContact CD2-CG 4.49Å; I237-L241 WeakPolarHBondContact O-CB 3.46Å; I237-L241 PolarHBondContact O-N 2.7Å; F238-L241 PolarHBondContact O-N 3.05Å; L241-I244 PolarHBondContact O-N 3.1Å; L241-S245 PolarHBondContact O-N 2.9Å; L241-F257 HydrophobicContact CD1-CE1 4.18Å; L241-F257 HydrophobicContact CD1-CE2 3.8Å; L241-F257 HydrophobicContact CD1-CZ 3.35Å; L241-F257 HydrophobicContact CG-CZ 3.79Å |
| 242 | R | 90.9 | Very high | 85.1 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 9% | 0.087 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65 | -44.5 | 174.5 | -173.8 | 173.4 | -179 | -118.4 | -12.5 | 111.4 | L215 K218 N219 F238 Q240 I244 S245 Q246 | L215-R242 HydrophobicContact CD1-CB 4.11Å; L215-R242 HydrophobicContact CD1-CG 4.2Å; L215-R242 HydrophobicContact CG-CG 4.5Å; K218-R242 PolarHBondContact O-NE 3.14Å; K218-R242 PolarHBondContact O-NH2 3.26Å; N219-R242 PolarHBondContact OD1-NH2 3.07Å; F238-R242 HydrophobicContact CE1-CB 4.49Å; F238-R242 VanDerWaalsContact O-CB 3.23Å; F238-R242 WeakPolarHBondContact O-CB 3.49Å; F238-R242 PolarHBondContact O-N 3.46Å; Q240-R242 VanDerWaalsContact C-N 3.27Å; Q240-R242 PolarHBondContact O-N 2.95Å; R242-I244 VanDerWaalsContact C-N 3.32Å; R242-I244 PolarHBondContact O-N 3.19Å; R242-S245 PolarHBondContact O-N 3.37Å; R242-S245 VanDerWaalsContact O-N 3.14Å; R242-S245 PolarHBondContact O-OG 3.22Å; R242-Q246 WeakPolarHBondContact O-CG 3.35Å; R242-Q246 PolarHBondContact O-N 3.03Å |
| 243 | G | 87.9 | Confident | 83.9 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 22% | 0.216 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.5 | -38.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E239 Q240 R247 | E239-G243 PolarHBondContact O-N 3.48Å; Q240-G243 WeakPolarHBondContact O-CA 3.32Å; Q240-G243 PolarHBondContact O-N 2.77Å; Q240-G243 VanDerWaalsContact O-N 3.08Å; G243-R247 PolarHBondContact O-NH1 2.71Å |
| 244 | I | 86.3 | Confident | 83 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 28% | 0.277 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -50.9 | 171 | -63.6 | 164.8 | 0 | 0 | 0 | 109.8 | Q240 L241 R242 Q246 R247 F257 | Q240-I244 WeakPolarHBondContact O-CG1 3.29Å; Q240-I244 PolarHBondContact O-N 2.94Å; L241-I244 PolarHBondContact O-N 3.1Å; R242-I244 VanDerWaalsContact C-N 3.32Å; R242-I244 PolarHBondContact O-N 3.19Å; I244-Q246 PolarHBondContact O-N 2.79Å; I244-Q246 VanDerWaalsContact O-N 3.16Å; I244-R247 PolarHBondContact O-N 3.44Å; I244-F257 HydrophobicContact CB-CE2 4.39Å; I244-F257 HydrophobicContact CG2-CD2 4.41Å; I244-F257 HydrophobicContact CG2-CE2 3.96Å |
| 245 | S | 87.1 | Confident | 82 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.3 | -32.4 | -177.6 | 79.8 | 0 | 0 | 0 | 0 | 113.8 | L215 Q216 L241 R242 R247 L248 | L215-S245 WeakPolarHBondContact CG-OG 3.36Å; Q216-S245 PolarHBondContact NE2-O 2.68Å; L241-S245 PolarHBondContact O-N 2.9Å; R242-S245 PolarHBondContact O-N 3.37Å; R242-S245 VanDerWaalsContact O-N 3.14Å; R242-S245 PolarHBondContact O-OG 3.22Å; S245-R247 VanDerWaalsContact C-N 3.31Å; S245-R247 PolarHBondContact O-N 3.3Å; S245-L248 WeakPolarHBondContact O-CB 3.4Å; S245-L248 PolarHBondContact O-N 3.02Å |
| 246 | Q | 84 | Confident | 81.2 | Confident | 106 Ų | 106 | 64 Ų | 64 | 50% | 0.495 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74.9 | -16.2 | 179.8 | -73.7 | 176.7 | -17.2 | 0 | 0 | 113.8 | R242 I244 | R242-Q246 WeakPolarHBondContact O-CG 3.35Å; R242-Q246 PolarHBondContact O-N 3.03Å; I244-Q246 PolarHBondContact O-N 2.79Å; I244-Q246 VanDerWaalsContact O-N 3.16Å |
| 247 | R | 82 | Confident | 80.9 | Confident | 118 Ų | 118 | 61.9 Ų | 61.9 | 45% | 0.445 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -6.8 | 173.4 | -62.8 | -170.9 | -62.2 | -99 | 14.9 | 113.3 | G243 I244 S245 E249 E544 | G243-R247 PolarHBondContact O-NH1 2.71Å; I244-R247 PolarHBondContact O-N 3.44Å; S245-R247 VanDerWaalsContact C-N 3.31Å; S245-R247 PolarHBondContact O-N 3.3Å; R247-E249 PolarHBondContact O-N 3.24Å; R247-E249 VanDerWaalsContact O-N 3.07Å; R247-E544 IonicContact NE-OE1 3.61Å |
| 248 | L | 80.8 | Confident | 80.8 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 20% | 0.199 | 30% | 0.299 | C | S | . | . | trans | -78.1 | 94.2 | -178.7 | -60.1 | 178.7 | 0 | 0 | 0 | 111.3 | L212 S245 E250 K253 F257 | L212-L248 HydrophobicContact CD1-CD1 4.1Å; L212-L248 HydrophobicContact CD2-CD1 4.35Å; S245-L248 WeakPolarHBondContact O-CB 3.4Å; S245-L248 PolarHBondContact O-N 3.02Å; L248-E250 VanDerWaalsContact C-N 3.27Å; L248-E250 PolarHBondContact O-N 3.45Å; L248-E250 VanDerWaalsContact O-N 3.14Å; L248-K253 HydrophobicContact CB-CB 4.09Å; L248-K253 HydrophobicContact CB-CD 3.77Å; L248-K253 HydrophobicContact CD1-CB 4.2Å; L248-K253 HydrophobicContact CD2-CB 4.29Å; L248-K253 HydrophobicContact CD2-CD 3.99Å; L248-K253 HydrophobicContact CG-CB 4.43Å; L248-K253 HydrophobicContact CG-CD 4.44Å; L248-F257 HydrophobicContact CD1-CB 3.9Å; L248-F257 HydrophobicContact CD1-CD2 3.65Å; L248-F257 HydrophobicContact CD1-CE2 4.37Å; L248-F257 HydrophobicContact CD1-CG 3.96Å | ||
| 249 | E | 65.6 | Low | 80.6 | Confident | 175 Ų | 175 | 62.1 Ų | 62.1 | 82% | 0.818 | 30% | 0.301 | S | S | * | . | trans | -67.3 | -7 | -172.7 | -54.1 | -167.3 | 137.1 | 0 | 0 | 117.5 | R247 | R247-E249 PolarHBondContact O-N 3.24Å; R247-E249 VanDerWaalsContact O-N 3.07Å | ||
| 250 | E | 64.9 | Low | 80.5 | Confident | 120 Ų | 120 | 59.9 Ų | 59.9 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -139.3 | 146.9 | -176.8 | -63.9 | -168.6 | 155.6 | 0 | 0 | 112.6 | L248 E252 K253 | L248-E250 VanDerWaalsContact C-N 3.27Å; L248-E250 PolarHBondContact O-N 3.45Å; L248-E250 VanDerWaalsContact O-N 3.14Å; E250-E252 VanDerWaalsContact C-N 3.34Å; E250-E252 PolarHBondContact O-N 2.9Å; E250-K253 HydrophobicContact CB-CD 4.33Å; E250-K253 HydrophobicContact CB-CG 4.39Å; E250-K253 VanDerWaalsContact O-CB 3.28Å; E250-K253 WeakPolarHBondContact O-CB 3.37Å; E250-K253 VanDerWaalsContact O-CG 3.31Å; E250-K253 WeakPolarHBondContact O-CG 3.47Å; E250-K253 PolarHBondContact O-N 3.05Å |
| 251 | P | 54.6 | Low | 80.2 | Confident | 87 Ų | 87 | 58.2 Ų | 58.2 | 57% | 0.565 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -67.2 | -29.1 | -175.2 | 26.1 | -34.5 | 0 | 0 | 0 | 114 | Q209 K253 A254 | Q209-P251 PolarHBondContact NE2-O 3.33Å; Q209-P251 PolarHBondContact OE1-O 3.1Å; Q209-P251 VanDerWaalsContact OE1-O 3.04Å; P251-K253 PolarHBondContact O-N 2.99Å; P251-A254 PolarHBondContact O-N 3.47Å |
| 252 | E | 58.1 | Low | 79.3 | Confident | 144 Ų | 144 | 62 Ų | 62 | 67% | 0.673 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -60.2 | -20.5 | 178.1 | -60.3 | -168.4 | 176.2 | 0 | 0 | 112.4 | E250 A254 F255 | E250-E252 VanDerWaalsContact C-N 3.34Å; E250-E252 PolarHBondContact O-N 2.9Å; E252-A254 PolarHBondContact O-N 2.66Å; E252-F255 VanDerWaalsContact O-CD2 3.23Å; E252-F255 WeakPolarHBondContact O-CD2 3.21Å; E252-F255 PolarHBondContact O-N 3.21Å |
| 253 | K | 70 | Confident | 78 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 21% | 0.213 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -64.2 | -6 | 176.6 | -58.8 | 177.3 | -179.5 | -179.7 | 0 | 114 | L248 E250 P251 F255 D256 F257 | L248-K253 HydrophobicContact CB-CB 4.09Å; L248-K253 HydrophobicContact CB-CD 3.77Å; L248-K253 HydrophobicContact CD1-CB 4.2Å; L248-K253 HydrophobicContact CD2-CB 4.29Å; L248-K253 HydrophobicContact CD2-CD 3.99Å; L248-K253 HydrophobicContact CG-CB 4.43Å; L248-K253 HydrophobicContact CG-CD 4.44Å; E250-K253 HydrophobicContact CB-CD 4.33Å; E250-K253 HydrophobicContact CB-CG 4.39Å; E250-K253 VanDerWaalsContact O-CB 3.28Å; E250-K253 WeakPolarHBondContact O-CB 3.37Å; E250-K253 VanDerWaalsContact O-CG 3.31Å; E250-K253 WeakPolarHBondContact O-CG 3.47Å; E250-K253 PolarHBondContact O-N 3.05Å; P251-K253 PolarHBondContact O-N 2.99Å; K253-F255 PolarHBondContact O-N 3.22Å; K253-D256 PolarHBondContact O-N 3.2Å; K253-F257 VanDerWaalsContact O-CB 3.31Å; K253-F257 WeakPolarHBondContact O-CB 3.34Å; K253-F257 PolarHBondContact O-N 3.03Å |
| 254 | A | 77.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.2 | -32.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q209 L212 P251 E252 F258 | Q209-A254 HydrophobicContact CB-CB 4.47Å; L212-A254 HydrophobicContact CB-CB 4.36Å; L212-A254 HydrophobicContact CD2-CB 3.89Å; P251-A254 PolarHBondContact O-N 3.47Å; E252-A254 PolarHBondContact O-N 2.66Å; A254-F258 PolarHBondContact O-N 2.86Å; A254-F258 VanDerWaalsContact O-N 3.09Å |
| 255 | F | 74.9 | Confident | 75.5 | Confident | 85 Ų | 85 | 83.5 Ų | 83.5 | 37% | 0.373 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -77.6 | -26.3 | 176 | -56.6 | -69.8 | 0 | 0 | 0 | 112.9 | K167 P205 E252 K253 T260 | K167-F255 PolarHBondContact NZ-O 3.26Å; P205-F255 HydrophobicContact CB-CE1 3.55Å; P205-F255 HydrophobicContact CB-CZ 3.89Å; P205-F255 HydrophobicContact CG-CE1 3.91Å; E252-F255 VanDerWaalsContact O-CD2 3.23Å; E252-F255 WeakPolarHBondContact O-CD2 3.21Å; E252-F255 PolarHBondContact O-N 3.21Å; K253-F255 PolarHBondContact O-N 3.22Å; F255-T260 HydrophobicContact CD1-CG2 3.89Å; F255-T260 HydrophobicContact CE1-CG2 4.44Å |
| 256 | D | 79 | Confident | 74.4 | Confident | 105 Ų | 105 | 92.8 Ų | 92.8 | 56% | 0.561 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -80.6 | -38.3 | 175.4 | -62 | -39.1 | 0 | 0 | 0 | 111 | K167 K253 | K167-D256 VanDerWaalsContact NZ-C 3.31Å; K167-D256 VanDerWaalsContact NZ-CA 3.31Å; K167-D256 PolarHBondContact NZ-O 3.43Å; K253-D256 PolarHBondContact O-N 3.2Å |
| 257 | F | 88.2 | Confident | 73.7 | Confident | 9 Ų | 9 | 96.4 Ų | 96.4 | 4% | 0.039 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -73.1 | -51.7 | 179.7 | -168.6 | -104.5 | 0 | 0 | 0 | 112.9 | R185 L212 L215 L241 I244 L248 K253 | R185-F257 WeakPolarHBondContact CD-O 3.15Å; R185-F257 HydrophobicContact CG-CE1 4.37Å; R185-F257 PolarHBondContact NH1-O 3.02Å; L212-F257 HydrophobicContact CD1-CD1 4.11Å; L212-F257 HydrophobicContact CD1-CE1 4.36Å; L212-F257 HydrophobicContact CD1-CG 4.38Å; L215-F257 HydrophobicContact CD2-CE1 3.65Å; L215-F257 HydrophobicContact CD2-CZ 3.65Å; L241-F257 HydrophobicContact CD1-CE1 4.18Å; L241-F257 HydrophobicContact CD1-CE2 3.8Å; L241-F257 HydrophobicContact CD1-CZ 3.35Å; L241-F257 HydrophobicContact CG-CZ 3.79Å; I244-F257 HydrophobicContact CB-CE2 4.39Å; I244-F257 HydrophobicContact CG2-CD2 4.41Å; I244-F257 HydrophobicContact CG2-CE2 3.96Å; L248-F257 HydrophobicContact CD1-CB 3.9Å; L248-F257 HydrophobicContact CD1-CD2 3.65Å; L248-F257 HydrophobicContact CD1-CE2 4.37Å; L248-F257 HydrophobicContact CD1-CG 3.96Å; K253-F257 VanDerWaalsContact O-CB 3.31Å; K253-F257 WeakPolarHBondContact O-CB 3.34Å; K253-F257 PolarHBondContact O-N 3.03Å |
| 258 | F | 93 | Very high | 73.4 | Confident | 0 Ų | 0 | 95.5 Ų | 95.5 | 0% | 0 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -103.9 | 146.1 | 178.9 | -65.4 | -67 | 0 | 0 | 0 | 112.2 | R185 L203 A208 A211 L212 A254 T260 | R185-F258 HydrophobicContact CG-CD1 4.07Å; R185-F258 HydrophobicContact CG-CE1 4.11Å; R185-F258 WeakPolarHBondContact O-CE1 3.32Å; L203-F258 HydrophobicContact CD1-CB 3.88Å; L203-F258 HydrophobicContact CD1-CD1 3.67Å; L203-F258 HydrophobicContact CD1-CD2 4.08Å; L203-F258 HydrophobicContact CD1-CE1 4.19Å; L203-F258 HydrophobicContact CD1-CG 3.62Å; A208-F258 HydrophobicContact CB-CB 4.16Å; A208-F258 HydrophobicContact CB-CD2 4.08Å; A211-F258 HydrophobicContact CB-CD2 4.45Å; A211-F258 HydrophobicContact CB-CE2 3.62Å; A211-F258 HydrophobicContact CB-CZ 3.77Å; L212-F258 HydrophobicContact CB-CE2 4.04Å; A254-F258 PolarHBondContact O-N 2.86Å; A254-F258 VanDerWaalsContact O-N 3.09Å; F258-T260 PolarHBondContact O-N 3.27Å |
| 259 | L | 92.5 | Very high | 73.5 | Confident | 13 Ų | 13 | 101.9 Ų | 101.9 | 7% | 0.068 | 48% | 0.479 | C | S | . | . | trans | -75.6 | 124.1 | 167.7 | -69.6 | 165.5 | 0 | 0 | 0 | 109.7 | L160 T163 Y164 K167 I182 Q186 L202 L203 | L160-L259 HydrophobicContact CD1-CB 3.77Å; L160-L259 HydrophobicContact CD1-CD1 3.48Å; L160-L259 VanDerWaalsContact CD1-CD1 3.48Å; L160-L259 HydrophobicContact CD1-CG 4.27Å; L160-L259 HydrophobicContact CG-CD1 4.05Å; T163-L259 HydrophobicContact CG2-CD2 4.46Å; Y164-L259 HydrophobicContact CD2-CD1 3.87Å; Y164-L259 HydrophobicContact CD2-CD2 4.22Å; Y164-L259 HydrophobicContact CG-CD1 4.2Å; K167-L259 HydrophobicContact CB-CD2 4.24Å; K167-L259 HydrophobicContact CD-CD2 3.64Å; I182-L259 HydrophobicContact CG2-CD1 3.97Å; Q186-L259 PolarHBondContact NE2-O 3.29Å; L202-L259 HydrophobicContact CD2-CB 3.86Å; L203-L259 PolarHBondContact N-O 3.22Å | ||
| 260 | T | 90.7 | Very high | 74.5 | Confident | 22 Ų | 22 | 96.5 Ų | 96.5 | 14% | 0.135 | 46% | 0.456 | C | S | . | . | B | Isolated β-bridge | trans | -111.9 | 158.5 | -176 | 68.9 | 0 | 0 | 0 | 0 | 112.8 | L203 A208 F255 F258 T262 | L203-T260 CarbonylContact O-C 3.19Å; L203-T260 WeakPolarHBondContact O-CA 3.48Å; L203-T260 WeakPolarHBondContact O-CB 3.07Å; A208-T260 HydrophobicContact CB-CG2 3.62Å; F255-T260 HydrophobicContact CD1-CG2 3.89Å; F255-T260 HydrophobicContact CE1-CG2 4.44Å; F258-T260 PolarHBondContact O-N 3.27Å; T260-T262 PolarHBondContact O-N 3.38Å |
| 261 | I | 85.9 | Confident | 75.7 | Confident | 49 Ų | 49 | 94.4 Ų | 94.4 | 25% | 0.251 | 45% | 0.452 | S | S | . | . | trans | -67.9 | 96 | 176.4 | -57.1 | 166 | 0 | 0 | 0 | 109.1 | L202 L203 N204 R263 | L202-I261 HydrophobicContact CB-CD1 4.48Å; L202-I261 HydrophobicContact CB-CG1 3.57Å; L202-I261 HydrophobicContact CD1-CG1 4.39Å; L203-I261 PolarHBondContact O-N 3.48Å; N204-I261 HydrophobicContact CB-CD1 4.35Å; I261-R263 PolarHBondContact O-N 3.03Å | ||
| 262 | T | 70.8 | Confident | 77.5 | Confident | 83 Ų | 83 | 95.6 Ų | 95.6 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | trans | -58.7 | 108.7 | 170.5 | -49.3 | 0 | 0 | 0 | 0 | 109.2 | T260 K264 | T260-T262 PolarHBondContact O-N 3.38Å; T262-K264 PolarHBondContact O-N 2.86Å | ||
| 263 | R | 64.2 | Low | 79.2 | Confident | 198 Ų | 198 | 92.8 Ų | 92.8 | 75% | 0.747 | 45% | 0.452 | S | S | * | . | trans | -69.4 | 94.3 | 174.3 | -70.5 | -174.5 | -179.5 | 180 | 2.8 | 108.6 | I261 K265 | I261-R263 PolarHBondContact O-N 3.03Å; R263-K265 PolarHBondContact O-N 2.78Å | ||
| 264 | K | 59.7 | Low | 80.4 | Confident | 145 Ų | 145 | 91.7 Ų | 91.7 | 63% | 0.63 | 45% | 0.448 | S | S | * | . | trans | -57.4 | 98.4 | 171.8 | -66.8 | -170.1 | 177.5 | -177.8 | 0 | 108.9 | E166 T262 K266 | E166-K264 VanDerWaalsContact OE1-CE 3.27Å; E166-K264 WeakPolarHBondContact OE1-CE 3.47Å; E166-K264 IonicContact OE1-NZ 2.67Å; E166-K264 PolarHBondContact OE1-NZ 3.42Å; E166-K264 IonicContact OE2-NZ 3.52Å; T262-K264 PolarHBondContact O-N 2.86Å; K264-K266 PolarHBondContact O-N 3.35Å; K264-K266 VanDerWaalsContact O-N 3.15Å | ||
| 265 | K | 62.6 | Low | 81.3 | Confident | 207 Ų | 207 | 96.4 Ų | 96.4 | 90% | 0.9 | 48% | 0.477 | S | S | * | . | trans | -62.5 | 113.1 | 177.2 | -68.9 | 179.8 | -178.9 | 175.2 | 0 | 107.1 | R263 | R263-K265 PolarHBondContact O-N 2.78Š| ||
| 266 | K | 62.3 | Low | 82.2 | Confident | 195 Ų | 195 | 96.5 Ų | 96.5 | 85% | 0.848 | 49% | 0.488 | S | S | * | . | trans | -83.2 | 134.7 | 167.5 | -67.3 | -173.1 | 177.3 | -175.7 | 0 | 108 | K264 L268 | K264-K266 PolarHBondContact O-N 3.35Å; K264-K266 VanDerWaalsContact O-N 3.15Å; K266-L268 PolarHBondContact O-N 3.4Å | ||
| 267 | E | 70.5 | Confident | 83 | Confident | 182 Ų | 182 | 95.1 Ų | 95.1 | 85% | 0.85 | 49% | 0.487 | S | S | * | . | trans | -61 | 129.9 | 169.6 | -174 | 164.4 | -162.5 | 0 | 0 | 109.2 | ||||
| 268 | L | 75.2 | Confident | 83.3 | Confident | 100 Ų | 100 | 100.7 Ų | 100.7 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | trans | -98.3 | 98.2 | 176.1 | 179.8 | 66.9 | 0 | 0 | 0 | 108.4 | K266 L270 L339 | K266-L268 PolarHBondContact O-N 3.4Å; L268-L270 HydrophobicContact CD2-CD2 4.09Å; L268-L270 HydrophobicContact CG-CD2 4.28Å; L268-L270 PolarHBondContact O-N 3.16Å; L268-L339 HydrophobicContact CD2-CD1 3.71Å | ||
| 269 | E | 82.7 | Confident | 83.5 | Confident | 171 Ų | 171 | 100.8 Ų | 100.8 | 80% | 0.799 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -67 | 116.1 | 167.5 | -66.9 | -174.1 | 174.2 | 0 | 0 | 109.3 | ||
| 270 | L | 86.4 | Confident | 83.6 | Confident | 62 Ų | 62 | 104.6 Ų | 104.6 | 33% | 0.325 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 147.2 | 172.1 | -63.4 | 178.8 | 0 | 0 | 0 | 109.7 | L268 P305 A336 Y340 | L268-L270 HydrophobicContact CD2-CD2 4.09Å; L268-L270 HydrophobicContact CG-CD2 4.28Å; L268-L270 PolarHBondContact O-N 3.16Å; L270-P305 HydrophobicContact CD2-CG 4.27Å; L270-A336 HydrophobicContact CD2-CB 4.23Å; L270-Y340 HydrophobicContact CD1-CD2 3.56Å; L270-Y340 HydrophobicContact CD1-CE2 4.22Å; L270-Y340 HydrophobicContact CD1-CG 4.45Å |
| 271 | T | 90.7 | Very high | 83.8 | Confident | 77 Ų | 77 | 109.2 Ų | 109.2 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 130.4 | 173.9 | -62.2 | 0 | 0 | 0 | 0 | 109 | A304 | T271-A304 WeakPolarHBondContact O-CB 3.43Š|
| 272 | P | 92 | Very high | 84.2 | Confident | 111 Ų | 111 | 107.5 Ų | 107.5 | 72% | 0.721 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 146.4 | 176.4 | -25.6 | 34.8 | 0 | 0 | 0 | 112 | ||
| 273 | T | 94.4 | Very high | 85.4 | Confident | 86 Ų | 86 | 105.7 Ų | 105.7 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 148.3 | 175.1 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | A304 A306 D307 | T273-A304 HydrophobicContact CG2-CB 4.36Å; T273-A306 HydrophobicContact CG2-CB 3.64Å; T273-D307 WeakPolarHBondContact CA-OD1 3.28Å; T273-D307 WeakPolarHBondContact CB-OD1 3.38Å; T273-D307 WeakPolarHBondContact CG2-OD1 3.31Å |
| 274 | M | 94.4 | Very high | 86.9 | Confident | 25 Ų | 25 | 102.8 Ų | 102.8 | 12% | 0.123 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 157.5 | 174.7 | 73.6 | 179.8 | 80.9 | 0 | 0 | 111.2 | R278 F279 L282 N301 I302 D307 | M274-R278 HydrophobicContact CB-CB 4.41Å; M274-R278 HydrophobicContact CB-CG 4.46Å; M274-R278 HydrophobicContact CG-CB 4.4Å; M274-R278 HydrophobicContact SD-CB 4.21Å; M274-R278 HydrophobicContact SD-CG 3.83Å; M274-F279 HydrophobicContact CG-CB 3.93Å; M274-F279 HydrophobicContact CG-CD2 4.35Å; M274-F279 HydrophobicContact SD-CB 4.1Å; M274-F279 HydrophobicContact SD-CD2 4.24Å; M274-L282 HydrophobicContact CE-CD2 3.95Å; M274-L282 HydrophobicContact SD-CD2 4.3Å; M274-N301 WeakPolarHBondContact CE-O 3.32Å; M274-I302 HydrophobicContact CE-CG1 4.05Å; M274-D307 HydrophobicContact CE-CB 3.99Å; M274-D307 VanDerWaalsContact CE-OD2 3.22Å; M274-D307 WeakPolarHBondContact CE-OD2 3.37Å; M274-D307 PolarHBondContact N-OD1 3.17Å; M274-D307 PolarHBondContact N-OD2 3.19Å; M274-D307 VanDerWaalsContact N-OD2 3.09Å |
| 275 | T | 96.4 | Very high | 88.6 | Confident | 100 Ų | 100 | 97.8 Ų | 97.8 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 144.3 | 176.2 | 63.5 | 0 | 0 | 0 | 0 | 110.3 | S277 R278 F279 | T275-S277 PolarHBondContact O-N 3.03Å; T275-R278 WeakPolarHBondContact O-CA 3.38Å; T275-R278 WeakPolarHBondContact O-CB 3.15Å; T275-R278 PolarHBondContact O-N 3.33Å; T275-F279 PolarHBondContact O-N 2.95Å |
| 276 | S | 94.3 | Very high | 90.1 | Very high | 87 Ų | 87 | 88.3 Ų | 88.3 | 61% | 0.608 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -56.2 | -28 | -178.9 | -38.5 | 0 | 0 | 0 | 0 | 113 | N280 | S276-N280 WeakPolarHBondContact O-CB 3.18Å; S276-N280 PolarHBondContact O-N 3.4Å; S276-N280 PolarHBondContact O-ND2 2.99Å; S276-N280 VanDerWaalsContact O-ND2 3.08Å |
| 277 | S | 95.4 | Very high | 91.5 | Very high | 76 Ų | 76 | 83.6 Ų | 83.6 | 53% | 0.531 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 172 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | T275 Q281 | T275-S277 PolarHBondContact O-N 3.03Å; S277-Q281 VanDerWaalsContact O-CG 3.29Å; S277-Q281 WeakPolarHBondContact O-CG 3.41Å; S277-Q281 PolarHBondContact O-N 2.85Å |
| 278 | R | 95.2 | Very high | 92.7 | Very high | 125 Ų | 125 | 79.1 Ų | 79.1 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.9 | -37 | 176.2 | -174.2 | 173.7 | 173.5 | 174 | -3.4 | 111.6 | M274 T275 Q281 L282 | M274-R278 HydrophobicContact CB-CB 4.41Å; M274-R278 HydrophobicContact CB-CG 4.46Å; M274-R278 HydrophobicContact CG-CB 4.4Å; M274-R278 HydrophobicContact SD-CB 4.21Å; M274-R278 HydrophobicContact SD-CG 3.83Å; T275-R278 WeakPolarHBondContact O-CA 3.38Å; T275-R278 WeakPolarHBondContact O-CB 3.15Å; T275-R278 PolarHBondContact O-N 3.33Å; R278-Q281 PolarHBondContact O-N 2.85Å; R278-L282 PolarHBondContact O-N 3.28Å |
| 279 | F | 96.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 75.7 Ų | 75.7 | 1% | 0.013 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 174.1 | -171.4 | -96.1 | 0 | 0 | 0 | 111.6 | M274 T275 Q281 L282 L283 D307 E310 L311 F314 | M274-F279 HydrophobicContact CG-CB 3.93Å; M274-F279 HydrophobicContact CG-CD2 4.35Å; M274-F279 HydrophobicContact SD-CB 4.1Å; M274-F279 HydrophobicContact SD-CD2 4.24Å; T275-F279 PolarHBondContact O-N 2.95Å; F279-Q281 VanDerWaalsContact C-N 3.35Å; F279-Q281 PolarHBondContact O-N 3.22Å; F279-L282 WeakPolarHBondContact O-CA 3.43Å; F279-L282 WeakPolarHBondContact O-CB 3.37Å; F279-L282 PolarHBondContact O-N 2.85Å; F279-L282 VanDerWaalsContact O-N 3.07Å; F279-L283 PolarHBondContact O-N 3.18Å; F279-D307 WeakPolarHBondContact CE2-O 3.24Å; F279-E310 HydrophobicContact CE1-CG 3.79Å; F279-E310 HydrophobicContact CE2-CB 4.07Å; F279-E310 HydrophobicContact CE2-CG 4.1Å; F279-E310 HydrophobicContact CZ-CB 3.87Å; F279-E310 HydrophobicContact CZ-CG 3.54Å; F279-L311 HydrophobicContact CE2-CB 4.39Å; F279-L311 HydrophobicContact CZ-CB 4.41Å; F279-F314 AromaticContact CE1-CD2 3.85Å; F279-F314 HydrophobicContact CE1-CD2 3.85Å; F279-F314 HydrophobicContact CE1-CE2 4.01Å; F279-F314 HydrophobicContact CZ-CD2 4.16Å |
| 280 | N | 94.7 | Very high | 94.1 | Very high | 92 Ų | 92 | 72.9 Ų | 72.9 | 49% | 0.492 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 175.2 | -72.6 | -30.4 | 0 | 0 | 0 | 112.6 | S276 L282 L283 E284 | S276-N280 WeakPolarHBondContact O-CB 3.18Å; S276-N280 PolarHBondContact O-N 3.4Å; S276-N280 PolarHBondContact O-ND2 2.99Å; S276-N280 VanDerWaalsContact O-ND2 3.08Å; N280-L282 VanDerWaalsContact C-N 3.31Å; N280-L282 PolarHBondContact O-N 3.19Å; N280-L283 PolarHBondContact O-N 3.42Å; N280-E284 WeakPolarHBondContact O-CG 3.5Å; N280-E284 PolarHBondContact O-N 3.43Å |
| 281 | Q | 95.3 | Very high | 94.4 | Very high | 119 Ų | 119 | 73.9 Ų | 73.9 | 56% | 0.556 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.7 | -36.9 | 173.9 | -73.6 | 169.6 | 11 | 0 | 0 | 112.6 | S277 R278 F279 A285 | S277-Q281 VanDerWaalsContact O-CG 3.29Å; S277-Q281 WeakPolarHBondContact O-CG 3.41Å; S277-Q281 PolarHBondContact O-N 2.85Å; R278-Q281 PolarHBondContact O-N 2.85Å; F279-Q281 VanDerWaalsContact C-N 3.35Å; F279-Q281 PolarHBondContact O-N 3.22Å; Q281-A285 WeakPolarHBondContact O-CB 3.43Å; Q281-A285 PolarHBondContact O-N 2.8Å |
| 282 | L | 95.6 | Very high | 94.5 | Very high | 13 Ų | 13 | 74.1 Ų | 74.1 | 7% | 0.068 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 174.4 | 179.9 | 63.3 | 0 | 0 | 0 | 111 | M274 R278 F279 N280 A285 Y286 L297 N301 I302 | M274-L282 HydrophobicContact CE-CD2 3.95Å; M274-L282 HydrophobicContact SD-CD2 4.3Å; R278-L282 PolarHBondContact O-N 3.28Å; F279-L282 WeakPolarHBondContact O-CA 3.43Å; F279-L282 WeakPolarHBondContact O-CB 3.37Å; F279-L282 PolarHBondContact O-N 2.85Å; F279-L282 VanDerWaalsContact O-N 3.07Å; N280-L282 VanDerWaalsContact C-N 3.31Å; N280-L282 PolarHBondContact O-N 3.19Å; L282-A285 PolarHBondContact O-N 3.11Å; L282-Y286 VanDerWaalsContact O-CB 3.24Å; L282-Y286 WeakPolarHBondContact O-CB 3.48Å; L282-Y286 PolarHBondContact O-N 2.77Å; L282-L297 HydrophobicContact CD1-CB 4.02Å; L282-L297 HydrophobicContact CD1-CD2 4.29Å; L282-N301 HydrophobicContact CD1-CB 3.94Å; L282-N301 HydrophobicContact CD2-CB 4.32Å; L282-I302 HydrophobicContact CD2-CD1 3.89Å; L282-I302 HydrophobicContact CD2-CG1 3.64Å |
| 283 | L | 94.9 | Very high | 94.7 | Very high | 45 Ų | 45 | 69.7 Ų | 69.7 | 24% | 0.236 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 179.2 | -169.1 | 65.8 | 0 | 0 | 0 | 112.3 | F279 N280 Y286 S287 L311 F314 T315 | F279-L283 PolarHBondContact O-N 3.18Å; N280-L283 PolarHBondContact O-N 3.42Å; L283-Y286 PolarHBondContact O-N 3.15Å; L283-S287 WeakPolarHBondContact O-CB 3.48Å; L283-S287 PolarHBondContact O-N 2.76Å; L283-L311 HydrophobicContact CD1-CD1 4.24Å; L283-F314 HydrophobicContact CD1-CB 3.93Å; L283-F314 HydrophobicContact CD2-CB 4.19Å; L283-F314 HydrophobicContact CD2-CG 4.22Å; L283-T315 HydrophobicContact CD1-CG2 3.97Å |
| 284 | E | 94.9 | Very high | 94.8 | Very high | 137 Ų | 137 | 67.4 Ų | 67.4 | 64% | 0.64 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -57.9 | -50.7 | 171 | -75.9 | 179.7 | -174 | 0 | 0 | 111.1 | N280 Y286 S287 A288 | N280-E284 WeakPolarHBondContact O-CG 3.5Å; N280-E284 PolarHBondContact O-N 3.43Å; E284-Y286 VanDerWaalsContact C-N 3.33Å; E284-Y286 PolarHBondContact O-N 2.87Å; E284-S287 PolarHBondContact O-N 3.15Å; E284-S287 PolarHBondContact O-OG 2.97Å; E284-A288 PolarHBondContact O-N 3Å |
| 285 | A | 95.6 | Very high | 94.8 | Very high | 40 Ų | 40 | 66.3 Ų | 66.3 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q281 L282 A288 A289 L297 | Q281-A285 WeakPolarHBondContact O-CB 3.43Å; Q281-A285 PolarHBondContact O-N 2.8Å; L282-A285 PolarHBondContact O-N 3.11Å; A285-A288 PolarHBondContact O-N 3.24Å; A285-A289 WeakPolarHBondContact O-CB 3.46Å; A285-A289 PolarHBondContact O-N 3.24Å; A285-L297 HydrophobicContact CB-CD1 3.91Å; A285-L297 HydrophobicContact CB-CD2 4.19Å; A285-L297 WeakPolarHBondContact O-CD1 3.41Å |
| 286 | Y | 95.1 | Very high | 94.7 | Very high | 9 Ų | 9 | 69.5 Ų | 69.5 | 4% | 0.035 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.4 | -175.1 | -85.9 | 0 | 0 | 0 | 111.6 | L282 L283 E284 A288 A289 K294 I298 T315 E317 F321 | L282-Y286 VanDerWaalsContact O-CB 3.24Å; L282-Y286 WeakPolarHBondContact O-CB 3.48Å; L282-Y286 PolarHBondContact O-N 2.77Å; L283-Y286 PolarHBondContact O-N 3.15Å; E284-Y286 VanDerWaalsContact C-N 3.33Å; E284-Y286 PolarHBondContact O-N 2.87Å; Y286-A288 PolarHBondContact O-N 3.05Å; Y286-A289 PolarHBondContact O-N 3.27Å; Y286-K294 HydrophobicContact CD1-CD 4.49Å; Y286-K294 HydrophobicContact CD1-CG 4.41Å; Y286-K294 HydrophobicContact CD2-CB 4.04Å; Y286-K294 HydrophobicContact CD2-CG 3.84Å; Y286-K294 HydrophobicContact CE1-CD 3.91Å; Y286-K294 HydrophobicContact CE1-CG 4.2Å; Y286-K294 HydrophobicContact CE2-CB 3.58Å; Y286-K294 HydrophobicContact CE2-CD 3.99Å; Y286-K294 HydrophobicContact CE2-CG 3.61Å; Y286-K294 HydrophobicContact CG-CG 4.22Å; Y286-K294 VanDerWaalsContact O-CE 3.25Å; Y286-K294 WeakPolarHBondContact O-CE 3.41Å; Y286-I298 HydrophobicContact CD2-CG1 4.44Å; Y286-I298 HydrophobicContact CE2-CD1 3.9Å; Y286-I298 HydrophobicContact CE2-CG1 4.2Å; Y286-T315 HydrophobicContact CD1-CG2 3.75Å; Y286-T315 HydrophobicContact CE1-CG2 3.51Å; Y286-E317 WeakPolarHBondContact OH-CG 3.39Å; Y286-E317 PolarHBondContact OH-OE1 3.34Å; Y286-F321 HydrophobicContact CE2-CZ 4.29Å; Y286-F321 WeakPolarHBondContact OH-CZ 3.26Å |
| 287 | S | 92.4 | Very high | 94.8 | Very high | 96 Ų | 96 | 67.2 Ų | 67.2 | 67% | 0.671 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.5 | -29.4 | 179.2 | 78.6 | 0 | 0 | 0 | 0 | 113.3 | L283 E284 | L283-S287 WeakPolarHBondContact O-CB 3.48Å; L283-S287 PolarHBondContact O-N 2.76Å; E284-S287 PolarHBondContact O-N 3.15Å; E284-S287 PolarHBondContact O-OG 2.97Å |
| 288 | A | 94.2 | Very high | 94.8 | Very high | 88 Ų | 88 | 63.8 Ų | 63.8 | 73% | 0.727 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -92.2 | -8.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E284 A285 Y286 | E284-A288 PolarHBondContact O-N 3Å; A285-A288 PolarHBondContact O-N 3.24Å; Y286-A288 PolarHBondContact O-N 3.05Å |
| 289 | A | 94 | Very high | 94.7 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 22% | 0.223 | 33% | 0.327 | C | S | . | . | trans | -91.8 | 150.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A285 Y286 K294 L297 | A285-A289 WeakPolarHBondContact O-CB 3.46Å; A285-A289 PolarHBondContact O-N 3.24Å; Y286-A289 PolarHBondContact O-N 3.27Å; A289-K294 HydrophobicContact CB-CG 3.96Å; A289-K294 WeakPolarHBondContact O-CE 3.39Å; A289-L297 HydrophobicContact CB-CD1 3.89Å | ||
| 290 | D | 94.5 | Very high | 94.6 | Very high | 113 Ų | 113 | 67.8 Ų | 67.8 | 60% | 0.604 | 36% | 0.362 | S | S | * | . | trans | -71.3 | 173.9 | 165.7 | 72.6 | 30.9 | 0 | 0 | 0 | 111.8 | Q292 G293 K294 | D290-Q292 PolarHBondContact O-N 2.91Å; D290-Q292 WeakPolarHBondContact OD1-CA 3.43Å; D290-Q292 PolarHBondContact OD1-N 2.83Å; D290-G293 PolarHBondContact O-N 2.91Å; D290-G293 VanDerWaalsContact O-N 3.13Å; D290-G293 PolarHBondContact OD1-N 2.82Å; D290-K294 WeakPolarHBondContact O-CB 3.42Å; D290-K294 WeakPolarHBondContact O-CG 3.39Å; D290-K294 PolarHBondContact O-N 3.39Å | ||
| 291 | Q | 92.3 | Very high | 94.5 | Very high | 83 Ų | 83 | 65.5 Ų | 65.5 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.3 | -36.3 | -176.5 | -162.7 | -178 | 10.7 | 0 | 0 | 113.2 | I295 F321 | Q291-I295 WeakPolarHBondContact O-CG1 3.27Å; Q291-I295 PolarHBondContact O-N 3.43Å; Q291-F321 HydrophobicContact CG-CD2 3.78Å; Q291-F321 HydrophobicContact CG-CE2 4.39Å |
| 292 | Q | 93.3 | Very high | 94.5 | Very high | 81 Ų | 81 | 60.1 Ų | 60.1 | 38% | 0.379 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -79.5 | -35.8 | 179.8 | -170.2 | 67.3 | 56.4 | 0 | 0 | 111.5 | D290 R296 | D290-Q292 PolarHBondContact O-N 2.91Å; D290-Q292 WeakPolarHBondContact OD1-CA 3.43Å; D290-Q292 PolarHBondContact OD1-N 2.83Å; Q292-R296 WeakPolarHBondContact O-CB 3.39Å; Q292-R296 VanDerWaalsContact O-CG 3.3Å; Q292-R296 WeakPolarHBondContact O-CG 3.49Å; Q292-R296 PolarHBondContact O-N 2.93Å |
| 293 | G | 95.5 | Very high | 94.3 | Very high | 19 Ų | 19 | 62.5 Ų | 62.5 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D290 R296 L297 | D290-G293 PolarHBondContact O-N 2.91Å; D290-G293 VanDerWaalsContact O-N 3.13Å; D290-G293 PolarHBondContact OD1-N 2.82Å; G293-R296 PolarHBondContact O-N 3.12Å; G293-L297 WeakPolarHBondContact O-CB 3.47Å; G293-L297 VanDerWaalsContact O-CG 3.3Å; G293-L297 WeakPolarHBondContact O-CG 3.36Å; G293-L297 PolarHBondContact O-N 2.83Å |
| 294 | K | 95.8 | Very high | 94.3 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 16% | 0.161 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.1 | -52.4 | 173.5 | -75.5 | 175.5 | 170.2 | -171.6 | 0 | 112.1 | Y286 A289 D290 R296 L297 I298 E317 F321 | Y286-K294 HydrophobicContact CD1-CD 4.49Å; Y286-K294 HydrophobicContact CD1-CG 4.41Å; Y286-K294 HydrophobicContact CD2-CB 4.04Å; Y286-K294 HydrophobicContact CD2-CG 3.84Å; Y286-K294 HydrophobicContact CE1-CD 3.91Å; Y286-K294 HydrophobicContact CE1-CG 4.2Å; Y286-K294 HydrophobicContact CE2-CB 3.58Å; Y286-K294 HydrophobicContact CE2-CD 3.99Å; Y286-K294 HydrophobicContact CE2-CG 3.61Å; Y286-K294 HydrophobicContact CG-CG 4.22Å; Y286-K294 VanDerWaalsContact O-CE 3.25Å; Y286-K294 WeakPolarHBondContact O-CE 3.41Å; A289-K294 HydrophobicContact CB-CG 3.96Å; A289-K294 WeakPolarHBondContact O-CE 3.39Å; D290-K294 WeakPolarHBondContact O-CB 3.42Å; D290-K294 WeakPolarHBondContact O-CG 3.39Å; D290-K294 PolarHBondContact O-N 3.39Å; K294-R296 VanDerWaalsContact C-N 3.35Å; K294-R296 PolarHBondContact O-N 2.82Å; K294-L297 WeakPolarHBondContact O-CB 3.41Å; K294-L297 PolarHBondContact O-N 2.76Å; K294-L297 VanDerWaalsContact O-N 3.14Å; K294-I298 WeakPolarHBondContact O-CG1 3.48Å; K294-I298 PolarHBondContact O-N 2.89Å; K294-E317 IonicContact NZ-OE1 3.51Å; K294-E317 PolarHBondContact NZ-OE1 3.12Å; K294-E317 IonicContact NZ-OE2 3.04Å; K294-F321 HydrophobicContact CB-CE2 3.74Å; K294-F321 HydrophobicContact CB-CZ 4.05Å; K294-F321 HydrophobicContact CD-CE2 4.44Å |
| 295 | I | 95 | Very high | 94.2 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.6 | -47.5 | 176.9 | -67.4 | 168.1 | 0 | 0 | 0 | 110.8 | Q291 L297 I298 S299 F321 K324 L325 E328 | Q291-I295 WeakPolarHBondContact O-CG1 3.27Å; Q291-I295 PolarHBondContact O-N 3.43Å; I295-L297 VanDerWaalsContact C-N 3.31Å; I295-L297 PolarHBondContact O-N 2.73Å; I295-I298 PolarHBondContact O-N 3.25Å; I295-S299 PolarHBondContact O-N 3.15Å; I295-S299 PolarHBondContact O-OG 3.09Å; I295-F321 HydrophobicContact CD1-CD2 4.25Å; I295-F321 HydrophobicContact CD1-CE2 4.26Å; I295-F321 HydrophobicContact CG1-CD2 4.01Å; I295-F321 HydrophobicContact CG1-CE2 3.54Å; I295-F321 HydrophobicContact CG1-CZ 4.04Å; I295-K324 HydrophobicContact CD1-CB 3.64Å; I295-L325 HydrophobicContact CG1-CB 4.42Å; I295-L325 HydrophobicContact CG2-CD1 4.12Å; I295-E328 HydrophobicContact CG2-CB 3.78Å; I295-E328 HydrophobicContact CG2-CG 3.9Å |
| 296 | R | 95 | Very high | 94.1 | Very high | 167 Ų | 167 | 53.3 Ų | 53.3 | 63% | 0.63 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.5 | -32.9 | 177.6 | -74 | 173.6 | 179.2 | 167.1 | 2.7 | 113.6 | Q292 G293 K294 K300 | Q292-R296 WeakPolarHBondContact O-CB 3.39Å; Q292-R296 VanDerWaalsContact O-CG 3.3Å; Q292-R296 WeakPolarHBondContact O-CG 3.49Å; Q292-R296 PolarHBondContact O-N 2.93Å; G293-R296 PolarHBondContact O-N 3.12Å; K294-R296 VanDerWaalsContact C-N 3.35Å; K294-R296 PolarHBondContact O-N 2.82Å; R296-K300 WeakPolarHBondContact O-CB 3.48Å; R296-K300 PolarHBondContact O-N 2.83Å |
| 297 | L | 95.8 | Very high | 94.2 | Very high | 39 Ų | 39 | 53.1 Ų | 53.1 | 20% | 0.204 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.3 | -46.4 | 176.2 | -79.2 | 169.6 | 0 | 0 | 0 | 110.6 | L282 A285 A289 G293 K294 I295 N301 | L282-L297 HydrophobicContact CD1-CB 4.02Å; L282-L297 HydrophobicContact CD1-CD2 4.29Å; A285-L297 HydrophobicContact CB-CD1 3.91Å; A285-L297 HydrophobicContact CB-CD2 4.19Å; A285-L297 WeakPolarHBondContact O-CD1 3.41Å; A289-L297 HydrophobicContact CB-CD1 3.89Å; G293-L297 WeakPolarHBondContact O-CB 3.47Å; G293-L297 VanDerWaalsContact O-CG 3.3Å; G293-L297 WeakPolarHBondContact O-CG 3.36Å; G293-L297 PolarHBondContact O-N 2.83Å; K294-L297 WeakPolarHBondContact O-CB 3.41Å; K294-L297 PolarHBondContact O-N 2.76Å; K294-L297 VanDerWaalsContact O-N 3.14Å; I295-L297 VanDerWaalsContact C-N 3.31Å; I295-L297 PolarHBondContact O-N 2.73Å; L297-N301 VanDerWaalsContact O-CB 3.31Å; L297-N301 WeakPolarHBondContact O-CB 3.43Å; L297-N301 PolarHBondContact O-N 3.35Å; L297-N301 VanDerWaalsContact O-N 3.11Å; L297-N301 PolarHBondContact O-ND2 3.4Å |
| 298 | I | 94.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -63.5 | 176.3 | -62.3 | 176.1 | 0 | 0 | 0 | 110.2 | Y286 K294 I295 K300 N301 I302 F308 L311 F321 L325 L329 | Y286-I298 HydrophobicContact CD2-CG1 4.44Å; Y286-I298 HydrophobicContact CE2-CD1 3.9Å; Y286-I298 HydrophobicContact CE2-CG1 4.2Å; K294-I298 WeakPolarHBondContact O-CG1 3.48Å; K294-I298 PolarHBondContact O-N 2.89Å; I295-I298 PolarHBondContact O-N 3.25Å; I298-K300 PolarHBondContact O-N 2.93Å; I298-N301 PolarHBondContact O-N 3.36Å; I298-N301 VanDerWaalsContact O-N 3.14Å; I298-I302 HydrophobicContact CG2-CB 4.5Å; I298-I302 HydrophobicContact CG2-CD1 4.31Å; I298-I302 PolarHBondContact O-N 3.14Å; I298-F308 HydrophobicContact CG2-CD2 4.02Å; I298-F308 HydrophobicContact CG2-CE2 3.75Å; I298-L311 HydrophobicContact CD1-CD2 3.61Å; I298-L311 HydrophobicContact CG1-CD2 3.58Å; I298-F321 HydrophobicContact CD1-CE1 4.09Å; I298-F321 HydrophobicContact CD1-CZ 3.87Å; I298-L325 HydrophobicContact CB-CD1 3.89Å; I298-L325 HydrophobicContact CD1-CD1 4.16Å; I298-L325 HydrophobicContact CD1-CD2 3.72Å; I298-L325 HydrophobicContact CG2-CD1 3.75Å; I298-L325 HydrophobicContact CG2-CD2 4.27Å; I298-L329 HydrophobicContact CG2-CD2 4.21Å |
| 299 | S | 93.5 | Very high | 94.2 | Very high | 41 Ų | 41 | 48.8 Ų | 48.8 | 29% | 0.287 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.5 | -19 | -173.3 | -62.8 | 0 | 0 | 0 | 0 | 114.8 | I295 E328 | I295-S299 PolarHBondContact O-N 3.15Å; I295-S299 PolarHBondContact O-OG 3.09Å; S299-E328 VanDerWaalsContact CB-O 3.3Å; S299-E328 WeakPolarHBondContact CB-O 3.39Å; S299-E328 PolarHBondContact OG-O 3.31Å |
| 300 | K | 93.7 | Very high | 94.2 | Very high | 171 Ų | 171 | 51 Ų | 51 | 74% | 0.743 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -98.5 | -29.2 | 179.5 | -173.1 | 177.6 | 176.6 | -174.8 | 0 | 114.1 | R296 I298 | R296-K300 WeakPolarHBondContact O-CB 3.48Å; R296-K300 PolarHBondContact O-N 2.83Å; I298-K300 PolarHBondContact O-N 2.93Å |
| 301 | N | 94.2 | Very high | 94.1 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -113.9 | -21.9 | -169.2 | -61.7 | -80 | 0 | 0 | 0 | 114.3 | M274 L282 L297 I298 | M274-N301 WeakPolarHBondContact CE-O 3.32Å; L282-N301 HydrophobicContact CD1-CB 3.94Å; L282-N301 HydrophobicContact CD2-CB 4.32Å; L297-N301 VanDerWaalsContact O-CB 3.31Å; L297-N301 WeakPolarHBondContact O-CB 3.43Å; L297-N301 PolarHBondContact O-N 3.35Å; L297-N301 VanDerWaalsContact O-N 3.11Å; L297-N301 PolarHBondContact O-ND2 3.4Å; I298-N301 PolarHBondContact O-N 3.36Å; I298-N301 VanDerWaalsContact O-N 3.14Å |
| 302 | I | 94.2 | Very high | 94.1 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | trans | -93.3 | 131.7 | 175.9 | -63 | -169.7 | 0 | 0 | 0 | 108.8 | M274 L282 I298 D307 F308 L311 F333 | M274-I302 HydrophobicContact CE-CG1 4.05Å; L282-I302 HydrophobicContact CD2-CD1 3.89Å; L282-I302 HydrophobicContact CD2-CG1 3.64Å; I298-I302 HydrophobicContact CG2-CB 4.5Å; I298-I302 HydrophobicContact CG2-CD1 4.31Å; I298-I302 PolarHBondContact O-N 3.14Å; I302-D307 HydrophobicContact CG2-CB 4.05Å; I302-F308 HydrophobicContact CG2-CB 3.86Å; I302-F308 HydrophobicContact CG2-CD2 4.15Å; I302-L311 HydrophobicContact CD1-CB 4.01Å; I302-L311 HydrophobicContact CD1-CD2 3.61Å; I302-L311 HydrophobicContact CD1-CG 4.33Å; I302-F333 HydrophobicContact CG2-CE2 4.2Å; I302-F333 HydrophobicContact CG2-CZ 3.91Å | ||
| 303 | S | 92.2 | Very high | 94 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 44% | 0.441 | 24% | 0.243 | S | C | . | . | trans | -144.8 | -18.4 | 179.6 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | F333 | S303-F333 WeakPolarHBondContact O-CD2 3.41Š| ||
| 304 | A | 94.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -87.8 | 134.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T271 T273 A306 D307 F308 | T271-A304 WeakPolarHBondContact O-CB 3.43Å; T273-A304 HydrophobicContact CG2-CB 4.36Å; A304-A306 VanDerWaalsContact C-N 3.29Å; A304-A306 PolarHBondContact O-N 2.99Å; A304-D307 HydrophobicContact CB-CB 4.18Å; A304-D307 PolarHBondContact O-N 3.5Å; A304-F308 PolarHBondContact O-N 3.5Å |
| 305 | P | 94.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.019 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.9 | -39.7 | 172.2 | -30.2 | 38.4 | 0 | 0 | 0 | 113.5 | L270 D307 F308 E309 A336 L337 Y340 | L270-P305 HydrophobicContact CD2-CG 4.27Å; P305-D307 PolarHBondContact O-N 2.9Å; P305-F308 WeakPolarHBondContact O-CA 3.36Å; P305-F308 VanDerWaalsContact O-CB 3.25Å; P305-F308 WeakPolarHBondContact O-CB 3.42Å; P305-F308 PolarHBondContact O-N 3.26Å; P305-E309 PolarHBondContact O-N 2.96Å; P305-A336 HydrophobicContact CG-CB 4.17Å; P305-L337 HydrophobicContact CB-CD1 4.27Å; P305-Y340 HydrophobicContact CB-CD1 3.49Å; P305-Y340 VanDerWaalsContact CB-CD1 3.49Å; P305-Y340 HydrophobicContact CB-CD2 4.11Å; P305-Y340 HydrophobicContact CB-CE1 4.12Å; P305-Y340 HydrophobicContact CB-CG 3.48Å; P305-Y340 VanDerWaalsContact CB-CG 3.48Å; P305-Y340 HydrophobicContact CG-CG 4.24Å |
| 306 | A | 93.3 | Very high | 93 | Very high | 26 Ų | 26 | 57 Ų | 57 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T273 A304 F308 E309 E310 | T273-A306 HydrophobicContact CG2-CB 3.64Å; A304-A306 VanDerWaalsContact C-N 3.29Å; A304-A306 PolarHBondContact O-N 2.99Å; A306-F308 PolarHBondContact O-N 3.49Å; A306-E309 PolarHBondContact O-N 3.15Å; A306-E310 WeakPolarHBondContact O-CB 3.4Å; A306-E310 PolarHBondContact O-N 3.1Å |
| 307 | D | 95.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -26 | 172.2 | -69.3 | -16.9 | 0 | 0 | 0 | 111.5 | T273 M274 F279 I302 A304 P305 L311 | T273-D307 WeakPolarHBondContact CA-OD1 3.28Å; T273-D307 WeakPolarHBondContact CB-OD1 3.38Å; T273-D307 WeakPolarHBondContact CG2-OD1 3.31Å; M274-D307 HydrophobicContact CE-CB 3.99Å; M274-D307 VanDerWaalsContact CE-OD2 3.22Å; M274-D307 WeakPolarHBondContact CE-OD2 3.37Å; M274-D307 PolarHBondContact N-OD1 3.17Å; M274-D307 PolarHBondContact N-OD2 3.19Å; M274-D307 VanDerWaalsContact N-OD2 3.09Å; F279-D307 WeakPolarHBondContact CE2-O 3.24Å; I302-D307 HydrophobicContact CG2-CB 4.05Å; A304-D307 HydrophobicContact CB-CB 4.18Å; A304-D307 PolarHBondContact O-N 3.5Å; P305-D307 PolarHBondContact O-N 2.9Å; D307-L311 WeakPolarHBondContact O-CB 3.25Å; D307-L311 PolarHBondContact O-N 2.86Å |
| 308 | F | 94.5 | Very high | 92.6 | Very high | 17 Ų | 17 | 57.5 Ų | 57.5 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -80.9 | -42.9 | 177.9 | -168.2 | -92.8 | 0 | 0 | 0 | 111.6 | I298 I302 A304 P305 A306 L311 L312 L325 L329 F333 L337 | I298-F308 HydrophobicContact CG2-CD2 4.02Å; I298-F308 HydrophobicContact CG2-CE2 3.75Å; I302-F308 HydrophobicContact CG2-CB 3.86Å; I302-F308 HydrophobicContact CG2-CD2 4.15Å; A304-F308 PolarHBondContact O-N 3.5Å; P305-F308 WeakPolarHBondContact O-CA 3.36Å; P305-F308 VanDerWaalsContact O-CB 3.25Å; P305-F308 WeakPolarHBondContact O-CB 3.42Å; P305-F308 PolarHBondContact O-N 3.26Å; A306-F308 PolarHBondContact O-N 3.49Å; F308-L311 WeakPolarHBondContact O-CB 3.15Å; F308-L311 PolarHBondContact O-N 3.02Å; F308-L312 HydrophobicContact CD1-CD1 3.98Å; F308-L312 HydrophobicContact CD1-CG 4.31Å; F308-L312 HydrophobicContact CE1-CD1 3.81Å; F308-L312 HydrophobicContact CE1-CD2 4.46Å; F308-L312 HydrophobicContact CE1-CG 4.23Å; F308-L312 WeakPolarHBondContact O-CG 3.32Å; F308-L312 PolarHBondContact O-N 2.99Å; F308-L325 HydrophobicContact CE2-CD2 4.02Å; F308-L325 HydrophobicContact CZ-CD2 4.03Å; F308-L329 HydrophobicContact CE2-CD1 4.2Å; F308-L329 HydrophobicContact CZ-CD1 4.39Å; F308-F333 HydrophobicContact CB-CZ 3.97Å; F308-F333 HydrophobicContact CD2-CE1 4.06Å; F308-F333 HydrophobicContact CD2-CZ 4.05Å; F308-F333 HydrophobicContact CE2-CE1 4.44Å; F308-F333 HydrophobicContact CG-CE1 4.44Å; F308-F333 HydrophobicContact CG-CZ 4.16Å; F308-L337 HydrophobicContact CB-CD1 4.02Å; F308-L337 HydrophobicContact CD1-CD1 3.57Å; F308-L337 HydrophobicContact CD1-CD2 4.5Å; F308-L337 HydrophobicContact CE1-CD1 4.2Å; F308-L337 HydrophobicContact CE1-CD2 4.35Å; F308-L337 HydrophobicContact CG-CD1 3.94Å |
| 309 | E | 92.3 | Very high | 92.2 | Very high | 76 Ų | 76 | 61.4 Ų | 61.4 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.8 | -50.9 | 170.7 | -170.6 | -179.2 | -162.9 | 0 | 0 | 110.3 | P305 A306 L311 L312 D313 Y340 | P305-E309 PolarHBondContact O-N 2.96Å; A306-E309 PolarHBondContact O-N 3.15Å; E309-L311 VanDerWaalsContact C-N 3.26Å; E309-L311 PolarHBondContact O-N 2.87Å; E309-L312 WeakPolarHBondContact O-CB 3.34Å; E309-L312 PolarHBondContact O-N 3.01Å; E309-D313 PolarHBondContact O-N 3.34Å; E309-D313 VanDerWaalsContact O-N 3.16Å; E309-Y340 WeakPolarHBondContact OE2-CE1 3.12Å; E309-Y340 PolarHBondContact OE2-OH 3.11Å |
| 310 | E | 93.9 | Very high | 92 | Very high | 74 Ų | 74 | 65.2 Ų | 65.2 | 35% | 0.346 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.7 | -36 | 176 | -167.4 | -178.5 | 174.3 | 0 | 0 | 111.8 | F279 A306 D313 F314 | F279-E310 HydrophobicContact CE1-CG 3.79Å; F279-E310 HydrophobicContact CE2-CB 4.07Å; F279-E310 HydrophobicContact CE2-CG 4.1Å; F279-E310 HydrophobicContact CZ-CB 3.87Å; F279-E310 HydrophobicContact CZ-CG 3.54Å; A306-E310 WeakPolarHBondContact O-CB 3.4Å; A306-E310 PolarHBondContact O-N 3.1Å; E310-D313 PolarHBondContact O-N 3.15Å; E310-F314 HydrophobicContact CG-CD2 4.34Å; E310-F314 HydrophobicContact CG-CE2 3.91Å; E310-F314 WeakPolarHBondContact O-CD2 3.42Å |
| 311 | L | 93.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 174.4 | -176.5 | 72.4 | 0 | 0 | 0 | 112.3 | F279 L283 I298 I302 D307 F308 E309 D313 F314 T315 | F279-L311 HydrophobicContact CE2-CB 4.39Å; F279-L311 HydrophobicContact CZ-CB 4.41Å; L283-L311 HydrophobicContact CD1-CD1 4.24Å; I298-L311 HydrophobicContact CD1-CD2 3.61Å; I298-L311 HydrophobicContact CG1-CD2 3.58Å; I302-L311 HydrophobicContact CD1-CB 4.01Å; I302-L311 HydrophobicContact CD1-CD2 3.61Å; I302-L311 HydrophobicContact CD1-CG 4.33Å; D307-L311 WeakPolarHBondContact O-CB 3.25Å; D307-L311 PolarHBondContact O-N 2.86Å; F308-L311 WeakPolarHBondContact O-CB 3.15Å; F308-L311 PolarHBondContact O-N 3.02Å; E309-L311 VanDerWaalsContact C-N 3.26Å; E309-L311 PolarHBondContact O-N 2.87Å; L311-D313 VanDerWaalsContact C-N 3.31Å; L311-F314 PolarHBondContact O-N 3.02Å; L311-T315 HydrophobicContact CD1-CG2 3.77Å; L311-T315 HydrophobicContact CG-CG2 4.16Å; L311-T315 WeakPolarHBondContact O-CB 3.44Å; L311-T315 WeakPolarHBondContact O-CG2 3.42Å; L311-T315 PolarHBondContact O-N 3.34Å; L311-T315 PolarHBondContact O-OG1 2.7Å |
| 312 | L | 91.1 | Very high | 91.9 | Very high | 71 Ų | 71 | 58.1 Ų | 58.1 | 37% | 0.372 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68 | -31.1 | 179.2 | -66.8 | 177.7 | 0 | 0 | 0 | 112.1 | F308 E309 F314 T315 Y322 | F308-L312 HydrophobicContact CD1-CD1 3.98Å; F308-L312 HydrophobicContact CD1-CG 4.31Å; F308-L312 HydrophobicContact CE1-CD1 3.81Å; F308-L312 HydrophobicContact CE1-CD2 4.46Å; F308-L312 HydrophobicContact CE1-CG 4.23Å; F308-L312 WeakPolarHBondContact O-CG 3.32Å; F308-L312 PolarHBondContact O-N 2.99Å; E309-L312 WeakPolarHBondContact O-CB 3.34Å; E309-L312 PolarHBondContact O-N 3.01Å; L312-F314 VanDerWaalsContact C-N 3.26Å; L312-F314 PolarHBondContact O-N 3.13Å; L312-T315 PolarHBondContact O-N 3.12Å; L312-Y322 HydrophobicContact CD2-CE1 3.73Å |
| 313 | D | 91.7 | Very high | 91.7 | Very high | 134 Ų | 134 | 62.8 Ų | 62.8 | 72% | 0.717 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.7 | -31.9 | 173.1 | -77.5 | -22 | 0 | 0 | 0 | 113 | E309 E310 L311 | E309-D313 PolarHBondContact O-N 3.34Å; E309-D313 VanDerWaalsContact O-N 3.16Å; E310-D313 PolarHBondContact O-N 3.15Å; L311-D313 VanDerWaalsContact C-N 3.31Å |
| 314 | F | 90.8 | Very high | 91.7 | Very high | 126 Ų | 126 | 64 Ų | 64 | 55% | 0.553 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -98.5 | -9.5 | -179.6 | -65.2 | -66.2 | 0 | 0 | 0 | 114.6 | F279 L283 E310 L311 L312 | F279-F314 AromaticContact CE1-CD2 3.85Å; F279-F314 HydrophobicContact CE1-CD2 3.85Å; F279-F314 HydrophobicContact CE1-CE2 4.01Å; F279-F314 HydrophobicContact CZ-CD2 4.16Å; L283-F314 HydrophobicContact CD1-CB 3.93Å; L283-F314 HydrophobicContact CD2-CB 4.19Å; L283-F314 HydrophobicContact CD2-CG 4.22Å; E310-F314 HydrophobicContact CG-CD2 4.34Å; E310-F314 HydrophobicContact CG-CE2 3.91Å; E310-F314 WeakPolarHBondContact O-CD2 3.42Å; L311-F314 PolarHBondContact O-N 3.02Å; L312-F314 VanDerWaalsContact C-N 3.26Å; L312-F314 PolarHBondContact O-N 3.13Å |
| 315 | T | 88.5 | Confident | 91.7 | Very high | 18 Ų | 18 | 64.1 Ų | 64.1 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | trans | -133.1 | 137.9 | -171.6 | 67.9 | 0 | 0 | 0 | 0 | 113 | L283 Y286 L311 L312 | L283-T315 HydrophobicContact CD1-CG2 3.97Å; Y286-T315 HydrophobicContact CD1-CG2 3.75Å; Y286-T315 HydrophobicContact CE1-CG2 3.51Å; L311-T315 HydrophobicContact CD1-CG2 3.77Å; L311-T315 HydrophobicContact CG-CG2 4.16Å; L311-T315 WeakPolarHBondContact O-CB 3.44Å; L311-T315 WeakPolarHBondContact O-CG2 3.42Å; L311-T315 PolarHBondContact O-N 3.34Å; L311-T315 PolarHBondContact O-OG1 2.7Å; L312-T315 PolarHBondContact O-N 3.12Å | ||
| 316 | S | 87.5 | Confident | 91.6 | Very high | 111 Ų | 111 | 68.5 Ų | 68.5 | 78% | 0.776 | 35% | 0.348 | S | S | * | . | trans | -132.9 | 121.3 | 177.2 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 317 | E | 91 | Very high | 91.5 | Very high | 53 Ų | 53 | 74.7 Ų | 74.7 | 25% | 0.248 | 37% | 0.37 | C | S | . | . | trans | -125.4 | 173.5 | 179.4 | -62.1 | -69.7 | 166.1 | 0 | 0 | 110.7 | Y286 K294 F321 Y322 | Y286-E317 WeakPolarHBondContact OH-CG 3.39Å; Y286-E317 PolarHBondContact OH-OE1 3.34Å; K294-E317 IonicContact NZ-OE1 3.51Å; K294-E317 PolarHBondContact NZ-OE1 3.12Å; K294-E317 IonicContact NZ-OE2 3.04Å; E317-F321 HydrophobicContact CB-CB 3.73Å; E317-F321 HydrophobicContact CB-CD1 3.52Å; E317-F321 HydrophobicContact CB-CD2 4.47Å; E317-F321 HydrophobicContact CB-CE1 4.22Å; E317-F321 HydrophobicContact CB-CG 3.66Å; E317-F321 HydrophobicContact CG-CB 4.41Å; E317-F321 HydrophobicContact CG-CD1 3.62Å; E317-F321 HydrophobicContact CG-CD2 4.25Å; E317-F321 HydrophobicContact CG-CE1 3.82Å; E317-F321 HydrophobicContact CG-CE2 4.41Å; E317-F321 HydrophobicContact CG-CG 3.85Å; E317-F321 HydrophobicContact CG-CZ 4.21Å; E317-Y322 HydrophobicContact CB-CE2 3.96Å; E317-Y322 PolarHBondContact N-OH 3.22Å; E317-Y322 WeakPolarHBondContact O-CE2 3.35Å | ||
| 318 | K | 90.1 | Very high | 91.5 | Very high | 163 Ų | 163 | 80 Ų | 80 | 71% | 0.709 | 40% | 0.395 | S | S | * | . | trans | -82.5 | 156.5 | 175.8 | -61.1 | -176.1 | -179.4 | -178.9 | 0 | 111.2 | E320 F321 | K318-E320 PolarHBondContact O-N 3.19Å; K318-E320 VanDerWaalsContact O-N 3.1Å; K318-F321 VanDerWaalsContact O-CB 3.23Å; K318-F321 WeakPolarHBondContact O-CB 3.37Å; K318-F321 PolarHBondContact O-N 2.98Å | ||
| 319 | S | 86.7 | Confident | 91.4 | Very high | 85 Ų | 85 | 80 Ų | 80 | 59% | 0.594 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -45.4 | -45.2 | 176.3 | -171.1 | 0 | 0 | 0 | 0 | 113.9 | F321 Y322 E323 | S319-F321 PolarHBondContact O-N 2.95Å; S319-Y322 PolarHBondContact O-N 2.84Å; S319-E323 PolarHBondContact O-N 3.07Å |
| 320 | E | 89.6 | Confident | 91.4 | Very high | 121 Ų | 121 | 80.7 Ų | 80.7 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -55.9 | -24.4 | 176.7 | -63.3 | 176.1 | -152.7 | 0 | 0 | 115 | K318 K324 | K318-E320 PolarHBondContact O-N 3.19Å; K318-E320 VanDerWaalsContact O-N 3.1Å; E320-K324 WeakPolarHBondContact O-CD 3.25Å; E320-K324 VanDerWaalsContact O-CG 3.3Å; E320-K324 WeakPolarHBondContact O-CG 3.27Å |
| 321 | F | 94.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.009 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -73.6 | -50.4 | 173.4 | 173.8 | -94.9 | 0 | 0 | 0 | 110.6 | Y286 Q291 K294 I295 I298 E317 K318 S319 E323 K324 L325 | Y286-F321 HydrophobicContact CE2-CZ 4.29Å; Y286-F321 WeakPolarHBondContact OH-CZ 3.26Å; Q291-F321 HydrophobicContact CG-CD2 3.78Å; Q291-F321 HydrophobicContact CG-CE2 4.39Å; K294-F321 HydrophobicContact CB-CE2 3.74Å; K294-F321 HydrophobicContact CB-CZ 4.05Å; K294-F321 HydrophobicContact CD-CE2 4.44Å; I295-F321 HydrophobicContact CD1-CD2 4.25Å; I295-F321 HydrophobicContact CD1-CE2 4.26Å; I295-F321 HydrophobicContact CG1-CD2 4.01Å; I295-F321 HydrophobicContact CG1-CE2 3.54Å; I295-F321 HydrophobicContact CG1-CZ 4.04Å; I298-F321 HydrophobicContact CD1-CE1 4.09Å; I298-F321 HydrophobicContact CD1-CZ 3.87Å; E317-F321 HydrophobicContact CB-CB 3.73Å; E317-F321 HydrophobicContact CB-CD1 3.52Å; E317-F321 HydrophobicContact CB-CD2 4.47Å; E317-F321 HydrophobicContact CB-CE1 4.22Å; E317-F321 HydrophobicContact CB-CG 3.66Å; E317-F321 HydrophobicContact CG-CB 4.41Å; E317-F321 HydrophobicContact CG-CD1 3.62Å; E317-F321 HydrophobicContact CG-CD2 4.25Å; E317-F321 HydrophobicContact CG-CE1 3.82Å; E317-F321 HydrophobicContact CG-CE2 4.41Å; E317-F321 HydrophobicContact CG-CG 3.85Å; E317-F321 HydrophobicContact CG-CZ 4.21Å; K318-F321 VanDerWaalsContact O-CB 3.23Å; K318-F321 WeakPolarHBondContact O-CB 3.37Å; K318-F321 PolarHBondContact O-N 2.98Å; S319-F321 PolarHBondContact O-N 2.95Å; F321-E323 VanDerWaalsContact C-N 3.33Å; F321-E323 PolarHBondContact O-N 2.8Å; F321-K324 PolarHBondContact O-N 2.98Å; F321-K324 VanDerWaalsContact O-N 3.09Å; F321-L325 HydrophobicContact CE1-CD2 3.92Å; F321-L325 WeakPolarHBondContact O-CB 3.38Å; F321-L325 PolarHBondContact O-N 3.01Å |
| 322 | Y | 90.3 | Very high | 91 | Very high | 65 Ų | 65 | 89.5 Ų | 89.5 | 26% | 0.255 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.2 | -37.4 | -179.6 | -59.6 | -72.1 | 0 | 0 | 0 | 111.7 | L312 E317 S319 K324 L325 L326 | L312-Y322 HydrophobicContact CD2-CE1 3.73Å; E317-Y322 HydrophobicContact CB-CE2 3.96Å; E317-Y322 PolarHBondContact N-OH 3.22Å; E317-Y322 WeakPolarHBondContact O-CE2 3.35Å; S319-Y322 PolarHBondContact O-N 2.84Å; Y322-K324 VanDerWaalsContact C-N 3.28Å; Y322-K324 PolarHBondContact O-N 2.78Å; Y322-L325 HydrophobicContact CD1-CD2 4.45Å; Y322-L325 PolarHBondContact O-N 2.89Å; Y322-L326 WeakPolarHBondContact O-CB 3.27Å; Y322-L326 VanDerWaalsContact O-CG 3.31Å; Y322-L326 WeakPolarHBondContact O-CG 3.34Å; Y322-L326 PolarHBondContact O-N 2.87Å |
| 323 | E | 89.7 | Confident | 91.1 | Very high | 104 Ų | 104 | 87 Ų | 87 | 49% | 0.486 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.4 | -35.2 | 171.8 | -74.3 | -172.9 | -165.2 | 0 | 0 | 113.9 | S319 F321 K327 | S319-E323 PolarHBondContact O-N 3.07Å; F321-E323 VanDerWaalsContact C-N 3.33Å; F321-E323 PolarHBondContact O-N 2.8Å; E323-K327 VanDerWaalsContact O-CD 3.25Å; E323-K327 WeakPolarHBondContact O-CD 3.18Å; E323-K327 VanDerWaalsContact O-CE 3.31Å; E323-K327 WeakPolarHBondContact O-CE 3.32Å; E323-K327 WeakPolarHBondContact O-CG 3.39Å |
| 324 | K | 93.6 | Very high | 91.1 | Very high | 88 Ų | 88 | 82.8 Ų | 82.8 | 38% | 0.383 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -79.5 | -39.9 | 176.8 | -69.8 | 170.3 | -172.5 | 168.4 | 0 | 110.8 | I295 E320 F321 Y322 K327 E328 | I295-K324 HydrophobicContact CD1-CB 3.64Å; E320-K324 WeakPolarHBondContact O-CD 3.25Å; E320-K324 VanDerWaalsContact O-CG 3.3Å; E320-K324 WeakPolarHBondContact O-CG 3.27Å; F321-K324 PolarHBondContact O-N 2.98Å; F321-K324 VanDerWaalsContact O-N 3.09Å; Y322-K324 VanDerWaalsContact C-N 3.28Å; Y322-K324 PolarHBondContact O-N 2.78Å; K324-K327 PolarHBondContact O-N 2.93Å; K324-E328 WeakPolarHBondContact O-CG 3.47Å; K324-E328 PolarHBondContact O-N 2.86Å |
| 325 | L | 94 | Very high | 91 | Very high | 3 Ų | 3 | 82.7 Ų | 82.7 | 2% | 0.016 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 176.5 | 177.9 | 59.7 | 0 | 0 | 0 | 111.5 | I295 I298 F308 F321 Y322 K327 E328 L329 | I295-L325 HydrophobicContact CG1-CB 4.42Å; I295-L325 HydrophobicContact CG2-CD1 4.12Å; I298-L325 HydrophobicContact CB-CD1 3.89Å; I298-L325 HydrophobicContact CD1-CD1 4.16Å; I298-L325 HydrophobicContact CD1-CD2 3.72Å; I298-L325 HydrophobicContact CG2-CD1 3.75Å; I298-L325 HydrophobicContact CG2-CD2 4.27Å; F308-L325 HydrophobicContact CE2-CD2 4.02Å; F308-L325 HydrophobicContact CZ-CD2 4.03Å; F321-L325 HydrophobicContact CE1-CD2 3.92Å; F321-L325 WeakPolarHBondContact O-CB 3.38Å; F321-L325 PolarHBondContact O-N 3.01Å; Y322-L325 HydrophobicContact CD1-CD2 4.45Å; Y322-L325 PolarHBondContact O-N 2.89Å; L325-K327 PolarHBondContact O-N 2.87Å; L325-K327 VanDerWaalsContact O-N 3.12Å; L325-E328 CarbonylContact O-C 3.55Å; L325-E328 WeakPolarHBondContact O-CA 3.46Å; L325-E328 PolarHBondContact O-N 2.99Å; L325-L329 HydrophobicContact CD1-CD1 4.45Å; L325-L329 HydrophobicContact CD1-CD2 4.09Å; L325-L329 HydrophobicContact CD1-CG 4.01Å; L325-L329 HydrophobicContact CG-CD1 4.09Å; L325-L329 HydrophobicContact CG-CG 4.14Å; L325-L329 WeakPolarHBondContact O-CG 3.28Å; L325-L329 PolarHBondContact O-N 3.19Å |
| 326 | L | 91.1 | Very high | 91.1 | Very high | 95 Ų | 95 | 82.7 Ų | 82.7 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.7 | -23.6 | 178.3 | -73.9 | 167.4 | 0 | 0 | 0 | 113.6 | Y322 L329 | Y322-L326 WeakPolarHBondContact O-CB 3.27Å; Y322-L326 VanDerWaalsContact O-CG 3.31Å; Y322-L326 WeakPolarHBondContact O-CG 3.34Å; Y322-L326 PolarHBondContact O-N 2.87Å; L326-L329 HydrophobicContact CD2-CD1 4.38Å |
| 327 | K | 92.7 | Very high | 91.2 | Very high | 157 Ų | 157 | 78.8 Ų | 78.8 | 68% | 0.683 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -81.4 | -19 | 174.5 | -67.5 | 166.1 | -171.4 | 163.7 | 0 | 113.2 | E323 K324 L325 | E323-K327 VanDerWaalsContact O-CD 3.25Å; E323-K327 WeakPolarHBondContact O-CD 3.18Å; E323-K327 VanDerWaalsContact O-CE 3.31Å; E323-K327 WeakPolarHBondContact O-CE 3.32Å; E323-K327 WeakPolarHBondContact O-CG 3.39Å; K324-K327 PolarHBondContact O-N 2.93Å; L325-K327 PolarHBondContact O-N 2.87Å; L325-K327 VanDerWaalsContact O-N 3.12Å |
| 328 | E | 93.7 | Very high | 91.1 | Very high | 116 Ų | 116 | 78.8 Ų | 78.8 | 54% | 0.542 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -109.9 | -3.4 | -176.5 | -64.3 | -79.9 | 161.2 | 0 | 0 | 112.8 | I295 S299 K324 L325 | I295-E328 HydrophobicContact CG2-CB 3.78Å; I295-E328 HydrophobicContact CG2-CG 3.9Å; S299-E328 VanDerWaalsContact CB-O 3.3Å; S299-E328 WeakPolarHBondContact CB-O 3.39Å; S299-E328 PolarHBondContact OG-O 3.31Å; K324-E328 WeakPolarHBondContact O-CG 3.47Å; K324-E328 PolarHBondContact O-N 2.86Å; L325-E328 CarbonylContact O-C 3.55Å; L325-E328 WeakPolarHBondContact O-CA 3.46Å; L325-E328 PolarHBondContact O-N 2.99Å |
| 329 | L | 93.8 | Very high | 90.9 | Very high | 16 Ų | 16 | 75.4 Ų | 75.4 | 8% | 0.084 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -81.5 | 148.4 | 173.1 | -75.7 | 176.3 | 0 | 0 | 0 | 111 | I298 F308 L325 L326 F333 I334 | I298-L329 HydrophobicContact CG2-CD2 4.21Å; F308-L329 HydrophobicContact CE2-CD1 4.2Å; F308-L329 HydrophobicContact CZ-CD1 4.39Å; L325-L329 HydrophobicContact CD1-CD1 4.45Å; L325-L329 HydrophobicContact CD1-CD2 4.09Å; L325-L329 HydrophobicContact CD1-CG 4.01Å; L325-L329 HydrophobicContact CG-CD1 4.09Å; L325-L329 HydrophobicContact CG-CG 4.14Å; L325-L329 WeakPolarHBondContact O-CG 3.28Å; L325-L329 PolarHBondContact O-N 3.19Å; L326-L329 HydrophobicContact CD2-CD1 4.38Å; L329-F333 HydrophobicContact CB-CD1 4.44Å; L329-F333 HydrophobicContact CD1-CD1 4.2Å; L329-F333 HydrophobicContact CD1-CE1 4.14Å; L329-F333 HydrophobicContact CD2-CD1 3.89Å; L329-F333 HydrophobicContact CD2-CE1 4Å; L329-F333 HydrophobicContact CG-CD1 4.41Å; L329-I334 HydrophobicContact CB-CD1 3.97Å; L329-I334 HydrophobicContact CB-CG1 3.88Å; L329-I334 HydrophobicContact CD1-CG1 4.45Å |
| 330 | D | 92.2 | Very high | 91.1 | Very high | 90 Ų | 90 | 73.2 Ų | 73.2 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | trans | -64.3 | 141.8 | 174.2 | 172.8 | -110.3 | 0 | 0 | 0 | 111.7 | N332 F333 I334 | D330-N332 VanDerWaalsContact C-N 3.29Å; D330-N332 PolarHBondContact O-N 3.1Å; D330-N332 WeakPolarHBondContact OD1-CA 3.26Å; D330-N332 VanDerWaalsContact OD1-CB 3.24Å; D330-N332 WeakPolarHBondContact OD1-CB 3.4Å; D330-N332 PolarHBondContact OD1-N 3.13Å; D330-F333 HydrophobicContact CB-CB 4.07Å; D330-F333 WeakPolarHBondContact O-CB 3.19Å; D330-F333 PolarHBondContact O-N 2.75Å; D330-F333 PolarHBondContact OD1-N 2.94Å; D330-I334 WeakPolarHBondContact O-CG1 3.25Å; D330-I334 PolarHBondContact O-N 2.64Å | ||
| 331 | K | 90.5 | Very high | 91 | Very high | 162 Ų | 162 | 70.1 Ų | 70.1 | 70% | 0.704 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.4 | -28.3 | -177.8 | -69.2 | -175 | 178.5 | -178.5 | 0 | 113.1 | K335 | K331-K335 WeakPolarHBondContact O-CG 3.41Å; K331-K335 PolarHBondContact O-N 2.84Å |
| 332 | N | 89.1 | Confident | 90.6 | Very high | 100 Ų | 100 | 71.5 Ų | 71.5 | 54% | 0.535 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -82 | -34 | 175.4 | -53.6 | -54 | 0 | 0 | 0 | 110.9 | D330 K335 A336 | D330-N332 VanDerWaalsContact C-N 3.29Å; D330-N332 PolarHBondContact O-N 3.1Å; D330-N332 WeakPolarHBondContact OD1-CA 3.26Å; D330-N332 VanDerWaalsContact OD1-CB 3.24Å; D330-N332 WeakPolarHBondContact OD1-CB 3.4Å; D330-N332 PolarHBondContact OD1-N 3.13Å; N332-K335 PolarHBondContact O-N 3.17Å; N332-A336 WeakPolarHBondContact O-CB 3.48Å; N332-A336 PolarHBondContact O-N 2.85Å |
| 333 | F | 92.5 | Very high | 90.4 | Very high | 19 Ų | 19 | 76.4 Ų | 76.4 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 168.4 | -179.1 | -101.4 | 0 | 0 | 0 | 112.1 | I302 S303 F308 L329 D330 K335 A336 L337 | I302-F333 HydrophobicContact CG2-CE2 4.2Å; I302-F333 HydrophobicContact CG2-CZ 3.91Å; S303-F333 WeakPolarHBondContact O-CD2 3.41Å; F308-F333 HydrophobicContact CB-CZ 3.97Å; F308-F333 HydrophobicContact CD2-CE1 4.06Å; F308-F333 HydrophobicContact CD2-CZ 4.05Å; F308-F333 HydrophobicContact CE2-CE1 4.44Å; F308-F333 HydrophobicContact CG-CE1 4.44Å; F308-F333 HydrophobicContact CG-CZ 4.16Å; L329-F333 HydrophobicContact CB-CD1 4.44Å; L329-F333 HydrophobicContact CD1-CD1 4.2Å; L329-F333 HydrophobicContact CD1-CE1 4.14Å; L329-F333 HydrophobicContact CD2-CD1 3.89Å; L329-F333 HydrophobicContact CD2-CE1 4Å; L329-F333 HydrophobicContact CG-CD1 4.41Å; D330-F333 HydrophobicContact CB-CB 4.07Å; D330-F333 WeakPolarHBondContact O-CB 3.19Å; D330-F333 PolarHBondContact O-N 2.75Å; D330-F333 PolarHBondContact OD1-N 2.94Å; F333-K335 VanDerWaalsContact C-N 3.33Å; F333-K335 PolarHBondContact O-N 3.09Å; F333-A336 PolarHBondContact O-N 3.37Å; F333-A336 VanDerWaalsContact O-N 3.14Å; F333-L337 HydrophobicContact CE1-CD1 4.34Å; F333-L337 HydrophobicContact CZ-CD1 4.13Å; F333-L337 PolarHBondContact O-N 3.43Å |
| 334 | I | 91.5 | Very high | 90.3 | Very high | 44 Ų | 44 | 75 Ų | 75 | 23% | 0.226 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 175.6 | -65.3 | 166.3 | 0 | 0 | 0 | 111.3 | L329 D330 L337 I338 | L329-I334 HydrophobicContact CB-CD1 3.97Å; L329-I334 HydrophobicContact CB-CG1 3.88Å; L329-I334 HydrophobicContact CD1-CG1 4.45Å; D330-I334 WeakPolarHBondContact O-CG1 3.25Å; D330-I334 PolarHBondContact O-N 2.64Å; I334-L337 PolarHBondContact O-N 3.44Å; I334-I338 HydrophobicContact CG2-CD1 3.92Å; I334-I338 WeakPolarHBondContact O-CG1 3.47Å; I334-I338 PolarHBondContact O-N 3.15Å |
| 335 | K | 88.5 | Confident | 89.9 | Confident | 124 Ų | 124 | 75.2 Ų | 75.2 | 54% | 0.539 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 174.4 | -70.7 | 169.3 | -173.9 | 172.7 | 0 | 112.1 | K331 N332 F333 L337 I338 L339 | K331-K335 WeakPolarHBondContact O-CG 3.41Å; K331-K335 PolarHBondContact O-N 2.84Å; N332-K335 PolarHBondContact O-N 3.17Å; F333-K335 VanDerWaalsContact C-N 3.33Å; F333-K335 PolarHBondContact O-N 3.09Å; K335-L337 VanDerWaalsContact C-N 3.33Å; K335-I338 PolarHBondContact O-N 2.85Å; K335-L339 WeakPolarHBondContact O-CB 3.27Å; K335-L339 VanDerWaalsContact O-CG 3.3Å; K335-L339 WeakPolarHBondContact O-CG 3.37Å; K335-L339 PolarHBondContact O-N 2.86Å |
| 336 | A | 90.4 | Very high | 89.5 | Confident | 18 Ų | 18 | 77.9 Ų | 77.9 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L270 P305 N332 F333 L339 Y340 | L270-A336 HydrophobicContact CD2-CB 4.23Å; P305-A336 HydrophobicContact CG-CB 4.17Å; N332-A336 WeakPolarHBondContact O-CB 3.48Å; N332-A336 PolarHBondContact O-N 2.85Å; F333-A336 PolarHBondContact O-N 3.37Å; F333-A336 VanDerWaalsContact O-N 3.14Å; A336-L339 PolarHBondContact O-N 3.09Å; A336-Y340 WeakPolarHBondContact O-CB 3.45Å; A336-Y340 PolarHBondContact O-N 2.88Å |
| 337 | L | 90.3 | Very high | 89.2 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 16% | 0.157 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.4 | -50.3 | 173.4 | -164.8 | 95.9 | 0 | 0 | 0 | 111.2 | P305 F308 F333 I334 K335 L339 Y340 E341 | P305-L337 HydrophobicContact CB-CD1 4.27Å; F308-L337 HydrophobicContact CB-CD1 4.02Å; F308-L337 HydrophobicContact CD1-CD1 3.57Å; F308-L337 HydrophobicContact CD1-CD2 4.5Å; F308-L337 HydrophobicContact CE1-CD1 4.2Å; F308-L337 HydrophobicContact CE1-CD2 4.35Å; F308-L337 HydrophobicContact CG-CD1 3.94Å; F333-L337 HydrophobicContact CE1-CD1 4.34Å; F333-L337 HydrophobicContact CZ-CD1 4.13Å; F333-L337 PolarHBondContact O-N 3.43Å; I334-L337 PolarHBondContact O-N 3.44Å; K335-L337 VanDerWaalsContact C-N 3.33Å; L337-L339 VanDerWaalsContact C-N 3.35Å; L337-L339 PolarHBondContact O-N 2.98Å; L337-Y340 WeakPolarHBondContact O-CB 3.29Å; L337-Y340 PolarHBondContact O-N 3.37Å; L337-Y340 VanDerWaalsContact O-N 3.17Å; L337-E341 WeakPolarHBondContact O-CG 3.43Å; L337-E341 PolarHBondContact O-N 3.43Å |
| 338 | I | 88.3 | Confident | 88.4 | Confident | 52 Ų | 52 | 76.2 Ų | 76.2 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 177.7 | -70.6 | 164.9 | 0 | 0 | 0 | 111.2 | I334 K335 Y340 E341 M342 F350 I353 | I334-I338 HydrophobicContact CG2-CD1 3.92Å; I334-I338 WeakPolarHBondContact O-CG1 3.47Å; I334-I338 PolarHBondContact O-N 3.15Å; K335-I338 PolarHBondContact O-N 2.85Å; I338-Y340 VanDerWaalsContact C-N 3.33Å; I338-Y340 PolarHBondContact O-N 3.02Å; I338-E341 PolarHBondContact O-N 3.01Å; I338-M342 HydrophobicContact CG2-SD 4.18Å; I338-M342 VanDerWaalsContact O-CG 3.29Å; I338-M342 WeakPolarHBondContact O-CG 3.36Å; I338-M342 PolarHBondContact O-N 3.06Å; I338-F350 HydrophobicContact CD1-CE2 4.01Å; I338-F350 HydrophobicContact CG1-CE2 4.34Å; I338-F350 HydrophobicContact CG2-CD2 3.82Å; I338-F350 HydrophobicContact CG2-CE2 3.94Å; I338-I353 HydrophobicContact CG2-CD1 3.74Å |
| 339 | L | 86.8 | Confident | 87.6 | Confident | 92 Ų | 92 | 76.7 Ų | 76.7 | 48% | 0.482 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.3 | -31.9 | 179.1 | -69 | 170.8 | 0 | 0 | 0 | 112.8 | L268 K335 A336 L337 K343 | L268-L339 HydrophobicContact CD2-CD1 3.71Å; K335-L339 WeakPolarHBondContact O-CB 3.27Å; K335-L339 VanDerWaalsContact O-CG 3.3Å; K335-L339 WeakPolarHBondContact O-CG 3.37Å; K335-L339 PolarHBondContact O-N 2.86Å; A336-L339 PolarHBondContact O-N 3.09Å; L337-L339 VanDerWaalsContact C-N 3.35Å; L337-L339 PolarHBondContact O-N 2.98Å; L339-K343 WeakPolarHBondContact O-CB 3.39Å; L339-K343 PolarHBondContact O-N 2.79Å |
| 340 | Y | 89.8 | Confident | 86.6 | Confident | 40 Ų | 40 | 81.2 Ų | 81.2 | 16% | 0.157 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.7 | -47.8 | 174.1 | -177.9 | -108.1 | 0 | 0 | 0 | 111.3 | L270 P305 E309 A336 L337 I338 M342 K343 N344 | L270-Y340 HydrophobicContact CD1-CD2 3.56Å; L270-Y340 HydrophobicContact CD1-CE2 4.22Å; L270-Y340 HydrophobicContact CD1-CG 4.45Å; P305-Y340 HydrophobicContact CB-CD1 3.49Å; P305-Y340 VanDerWaalsContact CB-CD1 3.49Å; P305-Y340 HydrophobicContact CB-CD2 4.11Å; P305-Y340 HydrophobicContact CB-CE1 4.12Å; P305-Y340 HydrophobicContact CB-CG 3.48Å; P305-Y340 VanDerWaalsContact CB-CG 3.48Å; P305-Y340 HydrophobicContact CG-CG 4.24Å; E309-Y340 WeakPolarHBondContact OE2-CE1 3.12Å; E309-Y340 PolarHBondContact OE2-OH 3.11Å; A336-Y340 WeakPolarHBondContact O-CB 3.45Å; A336-Y340 PolarHBondContact O-N 2.88Å; L337-Y340 WeakPolarHBondContact O-CB 3.29Å; L337-Y340 PolarHBondContact O-N 3.37Å; L337-Y340 VanDerWaalsContact O-N 3.17Å; I338-Y340 VanDerWaalsContact C-N 3.33Å; I338-Y340 PolarHBondContact O-N 3.02Å; Y340-M342 PolarHBondContact O-N 3.2Å; Y340-K343 PolarHBondContact O-N 3.22Å; Y340-N344 WeakPolarHBondContact CE1-ND2 3.11Å; Y340-N344 PolarHBondContact O-N 2.94Å; Y340-N344 PolarHBondContact OH-ND2 3.45Å |
| 341 | E | 87.2 | Confident | 85.9 | Confident | 56 Ų | 56 | 82.5 Ų | 82.5 | 26% | 0.262 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 174.4 | -70.1 | -54.6 | 146.5 | 0 | 0 | 112.3 | L337 I338 K343 N344 N345 | L337-E341 WeakPolarHBondContact O-CG 3.43Å; L337-E341 PolarHBondContact O-N 3.43Å; I338-E341 PolarHBondContact O-N 3.01Å; E341-K343 VanDerWaalsContact C-N 3.31Å; E341-K343 PolarHBondContact O-N 3.48Å; E341-N344 PolarHBondContact O-N 3.47Å; E341-N345 WeakPolarHBondContact O-CB 3.33Å; E341-N345 PolarHBondContact O-N 2.91Å; E341-N345 PolarHBondContact O-ND2 3.39Å; E341-N345 PolarHBondContact OE2-ND2 3.4Å |
| 342 | M | 86.2 | Confident | 85.3 | Confident | 30 Ų | 30 | 78 Ų | 78 | 15% | 0.148 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58 | -45.1 | 175.1 | -72.8 | 179.6 | 73.5 | 0 | 0 | 111.5 | I338 Y340 G346 F347 E348 I353 | I338-M342 HydrophobicContact CG2-SD 4.18Å; I338-M342 VanDerWaalsContact O-CG 3.29Å; I338-M342 WeakPolarHBondContact O-CG 3.36Å; I338-M342 PolarHBondContact O-N 3.06Å; Y340-M342 PolarHBondContact O-N 3.2Å; M342-G346 CarbonylContact O-C 3.59Å; M342-G346 WeakPolarHBondContact O-CA 3.41Å; M342-G346 PolarHBondContact O-N 2.96Å; M342-F347 HydrophobicContact CB-CB 4.3Å; M342-F347 WeakPolarHBondContact CE-O 3.39Å; M342-F347 HydrophobicContact CG-CB 4.19Å; M342-F347 PolarHBondContact O-N 2.85Å; M342-E348 VanDerWaalsContact CE-O 3.27Å; M342-E348 WeakPolarHBondContact CE-O 3.4Å; M342-I353 HydrophobicContact CG-CD1 3.48Å; M342-I353 VanDerWaalsContact CG-CD1 3.48Å; M342-I353 HydrophobicContact CG-CG1 3.95Å; M342-I353 HydrophobicContact SD-CD1 4.06Å |
| 343 | K | 86.1 | Confident | 84.8 | Confident | 168 Ų | 168 | 74.4 Ų | 74.4 | 73% | 0.73 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.7 | -45.1 | 178.9 | -178.9 | 179.9 | 173.9 | 179.9 | 0 | 112.6 | L339 Y340 E341 | L339-K343 WeakPolarHBondContact O-CB 3.39Å; L339-K343 PolarHBondContact O-N 2.79Å; Y340-K343 PolarHBondContact O-N 3.22Å; E341-K343 VanDerWaalsContact C-N 3.31Å; E341-K343 PolarHBondContact O-N 3.48Å |
| 344 | N | 87.1 | Confident | 83.9 | Confident | 76 Ų | 76 | 76.7 Ų | 76.7 | 41% | 0.406 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.5 | -37.1 | -177.8 | -79.7 | 4.6 | 0 | 0 | 0 | 112.2 | Y340 E341 | Y340-N344 WeakPolarHBondContact CE1-ND2 3.11Å; Y340-N344 PolarHBondContact O-N 2.94Å; Y340-N344 PolarHBondContact OH-ND2 3.45Å; E341-N344 PolarHBondContact O-N 3.47Å |
| 345 | N | 85.9 | Confident | 83.1 | Confident | 92 Ų | 92 | 77 Ų | 77 | 49% | 0.492 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -94.7 | -5 | -177.1 | -64.6 | -80.2 | 0 | 0 | 0 | 113.9 | E341 F347 | E341-N345 WeakPolarHBondContact O-CB 3.33Å; E341-N345 PolarHBondContact O-N 2.91Å; E341-N345 PolarHBondContact O-ND2 3.39Å; E341-N345 PolarHBondContact OE2-ND2 3.4Å; N345-F347 HydrophobicContact CB-CD1 4.35Å; N345-F347 HydrophobicContact CB-CD2 3.61Å; N345-F347 HydrophobicContact CB-CE1 4.1Å; N345-F347 HydrophobicContact CB-CE2 3.32Å; N345-F347 HydrophobicContact CB-CG 4.13Å; N345-F347 HydrophobicContact CB-CZ 3.59Å |
| 346 | G | 85.4 | Confident | 82.6 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 60% | 0.598 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 27 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M342 | M342-G346 CarbonylContact O-C 3.59Å; M342-G346 WeakPolarHBondContact O-CA 3.41Å; M342-G346 PolarHBondContact O-N 2.96Å |
| 347 | F | 85 | Confident | 81.5 | Confident | 45 Ų | 45 | 78.8 Ų | 78.8 | 20% | 0.197 | 41% | 0.408 | C | S | . | . | trans | -80.9 | 130.5 | 178.5 | -58.9 | -43.9 | 0 | 0 | 0 | 111.9 | M342 N345 Q352 I353 S356 | M342-F347 HydrophobicContact CB-CB 4.3Å; M342-F347 WeakPolarHBondContact CE-O 3.39Å; M342-F347 HydrophobicContact CG-CB 4.19Å; M342-F347 PolarHBondContact O-N 2.85Å; N345-F347 HydrophobicContact CB-CD1 4.35Å; N345-F347 HydrophobicContact CB-CD2 3.61Å; N345-F347 HydrophobicContact CB-CE1 4.1Å; N345-F347 HydrophobicContact CB-CE2 3.32Å; N345-F347 HydrophobicContact CB-CG 4.13Å; N345-F347 HydrophobicContact CB-CZ 3.59Å; F347-Q352 HydrophobicContact CB-CB 4.02Å; F347-Q352 HydrophobicContact CD1-CB 3.6Å; F347-Q352 HydrophobicContact CE1-CB 4.23Å; F347-Q352 HydrophobicContact CG-CB 3.88Å; F347-I353 HydrophobicContact CD2-CG1 3.87Å; F347-I353 HydrophobicContact CE2-CG1 4.43Å; F347-S356 WeakPolarHBondContact CZ-OG 3.5Å | ||
| 348 | E | 76.8 | Confident | 79.6 | Confident | 172 Ų | 172 | 83.8 Ų | 83.8 | 80% | 0.804 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -90.4 | -32.9 | 177.2 | -61.8 | -169.5 | 157.1 | 0 | 0 | 112.3 | M342 | M342-E348 VanDerWaalsContact CE-O 3.27Å; M342-E348 WeakPolarHBondContact CE-O 3.4Å |
| 349 | E | 75.8 | Confident | 77.4 | Confident | 126 Ų | 126 | 83.2 Ų | 83.2 | 59% | 0.589 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -119 | 144.9 | -178.3 | -62.1 | -165.9 | 147.2 | 0 | 0 | 112.8 | H351 Q352 | E349-H351 PolarHBondContact O-N 3.39Å; E349-H351 VanDerWaalsContact O-N 3.16Å; E349-Q352 HydrophobicContact CB-CG 4.24Å; E349-Q352 WeakPolarHBondContact O-CB 3.3Å; E349-Q352 PolarHBondContact O-N 2.88Å |
| 350 | F | 73 | Confident | 75.1 | Confident | 112 Ų | 112 | 86.8 Ų | 86.8 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.2 | -31.8 | 178.3 | -179.8 | -110.8 | 0 | 0 | 0 | 113.6 | I338 Q352 I353 I354 | I338-F350 HydrophobicContact CD1-CE2 4.01Å; I338-F350 HydrophobicContact CG1-CE2 4.34Å; I338-F350 HydrophobicContact CG2-CD2 3.82Å; I338-F350 HydrophobicContact CG2-CE2 3.94Å; F350-Q352 PolarHBondContact O-N 3.29Å; F350-I353 HydrophobicContact CD2-CD1 3.72Å; F350-I353 HydrophobicContact CE2-CD1 4.13Å; F350-I353 WeakPolarHBondContact O-CB 3.44Å; F350-I353 PolarHBondContact O-N 2.94Å; F350-I354 HydrophobicContact CD1-CD1 4.12Å; F350-I354 HydrophobicContact CE1-CD1 3.77Å; F350-I354 HydrophobicContact CE1-CG1 4.27Å; F350-I354 HydrophobicContact CZ-CD1 4.48Å |
| 351 | H | 77.4 | Confident | 72.4 | Confident | 117 Ų | 117 | 90.5 Ų | 90.5 | 54% | 0.542 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -28.2 | 177.4 | -165.4 | -58.3 | 0 | 0 | 0 | 112.3 | E349 I353 I354 T355 | E349-H351 PolarHBondContact O-N 3.39Å; E349-H351 VanDerWaalsContact O-N 3.16Å; H351-I353 PolarHBondContact O-N 3.02Å; H351-I354 WeakPolarHBondContact O-CA 3.43Å; H351-I354 WeakPolarHBondContact O-CB 3.29Å; H351-I354 PolarHBondContact O-N 2.97Å; H351-T355 PolarHBondContact CE1-OG1 2.94Å; H351-T355 VanDerWaalsContact CE1-OG1 3.29Å; H351-T355 PolarHBondContact ND1-OG1 2.74Å; H351-T355 PolarHBondContact O-N 2.99Å; H351-T355 PolarHBondContact O-OG1 2.79Å; H351-T355 VanDerWaalsContact O-OG1 3.1Å |
| 352 | Q | 79.2 | Confident | 69.8 | Low | 66 Ų | 66 | 95.9 Ų | 95.9 | 31% | 0.308 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -29.7 | 179.3 | -58.5 | 170.2 | 10.9 | 0 | 0 | 111.5 | F347 E349 F350 S356 | F347-Q352 HydrophobicContact CB-CB 4.02Å; F347-Q352 HydrophobicContact CD1-CB 3.6Å; F347-Q352 HydrophobicContact CE1-CB 4.23Å; F347-Q352 HydrophobicContact CG-CB 3.88Å; E349-Q352 HydrophobicContact CB-CG 4.24Å; E349-Q352 WeakPolarHBondContact O-CB 3.3Å; E349-Q352 PolarHBondContact O-N 2.88Å; F350-Q352 PolarHBondContact O-N 3.29Å; Q352-S356 WeakPolarHBondContact O-CB 3.28Å; Q352-S356 PolarHBondContact O-N 3.11Å; Q352-S356 PolarHBondContact O-OG 3.01Å |
| 353 | I | 76.8 | Confident | 67.2 | Low | 26 Ų | 26 | 101.8 Ų | 101.8 | 13% | 0.133 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 169.5 | -43.8 | 175.5 | 0 | 0 | 0 | 110.5 | I338 M342 F347 F350 H351 S356 V357 | I338-I353 HydrophobicContact CG2-CD1 3.74Å; M342-I353 HydrophobicContact CG-CD1 3.48Å; M342-I353 VanDerWaalsContact CG-CD1 3.48Å; M342-I353 HydrophobicContact CG-CG1 3.95Å; M342-I353 HydrophobicContact SD-CD1 4.06Å; F347-I353 HydrophobicContact CD2-CG1 3.87Å; F347-I353 HydrophobicContact CE2-CG1 4.43Å; F350-I353 HydrophobicContact CD2-CD1 3.72Å; F350-I353 HydrophobicContact CE2-CD1 4.13Å; F350-I353 WeakPolarHBondContact O-CB 3.44Å; F350-I353 PolarHBondContact O-N 2.94Å; H351-I353 PolarHBondContact O-N 3.02Å; I353-S356 WeakPolarHBondContact CA-OG 3.5Å; I353-S356 PolarHBondContact O-N 2.91Å; I353-S356 PolarHBondContact O-OG 3.27Å; I353-V357 HydrophobicContact CG2-CG2 4.43Å; I353-V357 WeakPolarHBondContact O-CB 3.18Å; I353-V357 VanDerWaalsContact O-CG2 3.28Å; I353-V357 WeakPolarHBondContact O-CG2 3.19Å; I353-V357 PolarHBondContact O-N 3.13Å |
| 354 | I | 74.7 | Confident | 64.6 | Low | 67 Ų | 67 | 98.7 Ų | 98.7 | 34% | 0.344 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 179.7 | -57.4 | 179.2 | 0 | 0 | 0 | 110.2 | F350 H351 V357 L358 | F350-I354 HydrophobicContact CD1-CD1 4.12Å; F350-I354 HydrophobicContact CE1-CD1 3.77Å; F350-I354 HydrophobicContact CE1-CG1 4.27Å; F350-I354 HydrophobicContact CZ-CD1 4.48Å; H351-I354 WeakPolarHBondContact O-CA 3.43Å; H351-I354 WeakPolarHBondContact O-CB 3.29Å; H351-I354 PolarHBondContact O-N 2.97Å; I354-V357 PolarHBondContact O-N 3.06Å; I354-L358 HydrophobicContact CG2-CD1 3.64Å; I354-L358 HydrophobicContact CG2-CG 4.29Å; I354-L358 WeakPolarHBondContact O-CB 3.35Å; I354-L358 WeakPolarHBondContact O-CG 3.44Å; I354-L358 PolarHBondContact O-N 3.2Å |
| 355 | T | 75 | Confident | 61.9 | Low | 51 Ų | 51 | 99.9 Ų | 99.9 | 31% | 0.313 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.6 | -43.7 | 178.7 | -50.7 | 0 | 0 | 0 | 0 | 111.8 | H351 G359 E360 | H351-T355 PolarHBondContact CE1-OG1 2.94Å; H351-T355 VanDerWaalsContact CE1-OG1 3.29Å; H351-T355 PolarHBondContact ND1-OG1 2.74Å; H351-T355 PolarHBondContact O-N 2.99Å; H351-T355 PolarHBondContact O-OG1 2.79Å; H351-T355 VanDerWaalsContact O-OG1 3.1Å; T355-G359 WeakPolarHBondContact O-CA 3.39Å; T355-G359 PolarHBondContact O-N 3.46Å; T355-E360 HydrophobicContact CG2-CG 4.33Å |
| 356 | S | 78 | Confident | 59.1 | Low | 67 Ų | 67 | 100.9 Ų | 100.9 | 47% | 0.469 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.5 | -34.4 | -179.6 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | F347 Q352 I353 | F347-S356 WeakPolarHBondContact CZ-OG 3.5Å; Q352-S356 WeakPolarHBondContact O-CB 3.28Å; Q352-S356 PolarHBondContact O-N 3.11Å; Q352-S356 PolarHBondContact O-OG 3.01Å; I353-S356 WeakPolarHBondContact CA-OG 3.5Å; I353-S356 PolarHBondContact O-N 2.91Å; I353-S356 PolarHBondContact O-OG 3.27Å |
| 357 | V | 66.1 | Low | 56.5 | Low | 112 Ų | 112 | 102.6 Ų | 102.6 | 68% | 0.679 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -77.4 | -37.9 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 112.8 | I353 I354 | I353-V357 HydrophobicContact CG2-CG2 4.43Å; I353-V357 WeakPolarHBondContact O-CB 3.18Å; I353-V357 VanDerWaalsContact O-CG2 3.28Å; I353-V357 WeakPolarHBondContact O-CG2 3.19Å; I353-V357 PolarHBondContact O-N 3.13Å; I354-V357 PolarHBondContact O-N 3.06Å |
| 358 | L | 51.5 | Low | 53.8 | Low | 135 Ų | 135 | 107.3 Ų | 107.3 | 71% | 0.707 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -90.8 | -19.3 | -176.5 | -62.8 | -177.5 | 0 | 0 | 0 | 114 | I354 | I354-L358 HydrophobicContact CG2-CD1 3.64Å; I354-L358 HydrophobicContact CG2-CG 4.29Å; I354-L358 WeakPolarHBondContact O-CB 3.35Å; I354-L358 WeakPolarHBondContact O-CG 3.44Å; I354-L358 PolarHBondContact O-N 3.2Å |
| 359 | G | 42 | Very low | 51.6 | Low | 39 Ų | 39 | 110 Ų | 110 | 40% | 0.402 | 62% | 0.616 | S | S | . | * | trans | 72.6 | 158.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | T355 S361 | T355-G359 WeakPolarHBondContact O-CA 3.39Å; T355-G359 PolarHBondContact O-N 3.46Å; G359-S361 PolarHBondContact O-N 3.14Å | ||
| 360 | E | 37.6 | Very low | 49.4 | Very low | 168 Ų | 168 | 109.8 Ų | 109.8 | 79% | 0.785 | 62% | 0.619 | S | S | * | * | trans | -69.5 | 94.8 | 175.1 | -68.1 | -177.8 | 153.4 | 0 | 0 | 110.7 | T355 E362 | T355-E360 HydrophobicContact CG2-CG 4.33Å; E360-E362 VanDerWaalsContact C-N 3.32Å; E360-E362 PolarHBondContact O-N 3.01Å; E360-E362 VanDerWaalsContact O-N 3.14Å | ||
| 361 | S | 34.2 | Very low | 47.5 | Very low | 117 Ų | 117 | 112.4 Ų | 112.4 | 82% | 0.818 | 63% | 0.633 | S | S | * | * | trans | -79.2 | 84.1 | 161.2 | 61.6 | 0 | 0 | 0 | 0 | 109.8 | G359 N363 | G359-S361 PolarHBondContact O-N 3.14Å; S361-N363 PolarHBondContact O-N 3.01Å; S361-N363 VanDerWaalsContact O-N 3.1Å | ||
| 362 | E | 31.6 | Very low | 45.3 | Very low | 170 Ų | 170 | 114.9 Ų | 114.9 | 79% | 0.794 | 64% | 0.644 | S | S | * | * | trans | -56.6 | 112.8 | 168.6 | -69.4 | -170.4 | 134.9 | 0 | 0 | 110.5 | E360 | E360-E362 VanDerWaalsContact C-N 3.32Å; E360-E362 PolarHBondContact O-N 3.01Å; E360-E362 VanDerWaalsContact O-N 3.14Å | ||
| 363 | N | 32.3 | Very low | 43 | Very low | 154 Ų | 154 | 119 Ų | 119 | 82% | 0.824 | 67% | 0.667 | S | S | * | * | trans | -171.3 | 147.2 | 138.6 | -107.4 | -60.5 | 0 | 0 | 0 | 114.2 | S361 | S361-N363 PolarHBondContact O-N 3.01Å; S361-N363 VanDerWaalsContact O-N 3.1Å | ||
| 364 | S | 31.7 | Very low | 40.7 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | trans | 57.8 | 94.6 | 174.6 | 60.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 365 | S | 29.6 | Very low | 38.8 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | 78.7 | 113.5 | 73.7 | 73.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 366 | S | 26.8 | Very low | 36.7 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | 46 | 107.3 | 144.4 | 63.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 367 | A | 31.5 | Very low | 34.6 | Very low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | -167.8 | 118.5 | 114.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R369 | A367-R369 PolarHBondContact O-N 3.02Š| |||
| 368 | T | 28.3 | Very low | 32.8 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -56.5 | 113.8 | 149.7 | -37.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 369 | R | 31.2 | Very low | 31.9 | Very low | 228 Ų | 228 | 136.8 Ų | 136.8 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -158.7 | 127.7 | 152.8 | -132.2 | 177.9 | -175.7 | 120.2 | 2.7 | 113.9 | A367 | A367-R369 PolarHBondContact O-N 3.02Š| ||
| 370 | D | 29.6 | Very low | 31.4 | Very low | 122 Ų | 122 | 144 Ų | 144 | 65% | 0.652 | 80% | 0.796 | S | S | * | * | trans | -52.4 | 167.3 | 169.4 | -47.7 | -80.8 | 0 | 0 | 0 | 115.3 | ||||
| 371 | Q | 31.8 | Very low | 31.3 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 78.1 | 142.2 | 141.3 | -82.5 | 163.9 | 2.4 | 0 | 0 | 120.2 | ||||
| 372 | E | 30.8 | Very low | 31.4 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 63.7 | 114.9 | 156.9 | -65.5 | 175.5 | 168.9 | 0 | 0 | 118.4 | ||||
| 373 | I | 31.1 | Very low | 31.3 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | -179 | 113 | 105 | -84 | 149.7 | 0 | 0 | 0 | 108 | |||||
| 374 | V | 30 | Very low | 31.5 | Very low | 151 Ų | 151 | 147 Ų | 147 | 92% | 0.915 | 80% | 0.796 | S | S | * | * | trans | -125.1 | 80.8 | 157 | 179.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 375 | E | 33.7 | Very low | 31.3 | Very low | 158 Ų | 158 | 148 Ų | 148 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -154.4 | 144.6 | 164.5 | -123.4 | -178.4 | -149.9 | 0 | 0 | 112.1 | ||||
| 376 | Q | 31.8 | Very low | 31.6 | Very low | 150 Ų | 150 | 148 Ų | 148 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | 62.9 | 83.5 | 163.9 | -58.3 | -169.3 | -1.7 | 0 | 0 | 119.7 | T378 | Q376-T378 PolarHBondContact O-N 3.29Š| ||
| 377 | S | 32.9 | Very low | 31.7 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -70.2 | 96 | 144.5 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 378 | T | 27.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 148 Ų | 148 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -101.7 | 113.4 | 162.8 | 36.2 | 0 | 0 | 0 | 0 | 110.8 | Q376 | Q376-T378 PolarHBondContact O-N 3.29Š| ||
| 379 | S | 34.4 | Very low | 32.1 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -112 | 102.4 | 163.7 | 42.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 380 | Q | 31.4 | Very low | 32.3 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -82.6 | 125.5 | 162.1 | -72.1 | -178.4 | -20.4 | 0 | 0 | 108.7 | ||||
| 381 | E | 35.5 | Very low | 32.7 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -144.4 | 92.7 | 154.7 | -132.6 | 174.8 | -161.5 | 0 | 0 | 111.8 | ||||
| 382 | E | 34.6 | Very low | 33 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | 30.2 | 115 | 141.2 | -64.5 | -157.2 | 147.8 | 0 | 0 | 122.8 | ||||
| 383 | T | 29.9 | Very low | 33.3 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | 78.8 | 110.4 | 129.7 | 73.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 384 | K | 36.2 | Very low | 33.5 | Very low | 204 Ų | 204 | 135.8 Ų | 135.8 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | 178.8 | 143.2 | 97 | -95.4 | 162.9 | -171.2 | 163.2 | 0 | 113.3 | |||||
| 385 | S | 28.3 | Very low | 33.7 | Very low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -76.8 | 144.8 | -179.5 | -40.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 386 | A | 34.9 | Very low | 33.6 | Very low | 102 Ų | 102 | 133 Ų | 133 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -171.3 | 113.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 387 | S | 29.6 | Very low | 33.7 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -24.8 | 131.8 | 155.4 | 163.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 388 | S | 35.4 | Very low | 33.8 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | 170.1 | 127.6 | 111.5 | 40.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 389 | T | 33.7 | Very low | 33.9 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | 65 | 121.1 | 93.6 | -25.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 390 | T | 35.1 | Very low | 33.9 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 68% | 0.681 | 78% | 0.775 | S | S | * | * | cis | -174.6 | 165.3 | 20.2 | -1 | 0 | 0 | 0 | 0 | 112 | ||||
| 391 | K | 37.8 | Very low | 34 | Very low | 171 Ų | 171 | 135 Ų | 135 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 68.5 | 153.9 | 148.7 | -72 | 176.1 | 171.1 | -169.3 | 0 | 118.1 | ||||
| 392 | D | 37.7 | Very low | 33.9 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -148.6 | 164.3 | -13.4 | -94.9 | -35 | 0 | 0 | 0 | 105.3 | ||||
| 393 | S | 38.3 | Very low | 33.7 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | cis | -156.2 | -151.7 | 44.5 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 394 | G | 34.5 | Very low | 33.7 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -88.9 | -172.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 395 | D | 34.2 | Very low | 33.5 | Very low | 155 Ų | 155 | 130.1 Ų | 130.1 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | cis | -149 | 161.5 | 22.7 | -157.7 | 0.7 | 0 | 0 | 0 | 114.3 | ||||
| 396 | S | 30.9 | Very low | 33.6 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | -44.1 | 160.3 | 172.5 | -35 | 0 | 0 | 0 | 0 | 115 | ||||
| 397 | I | 35.2 | Very low | 33.1 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | -167.2 | 149.1 | 57.4 | -75.6 | -172 | 0 | 0 | 0 | 111.5 | |||||
| 398 | E | 34.8 | Very low | 33.2 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 13.9 | 116.2 | 151.8 | -61.7 | 168.8 | 152.7 | 0 | 0 | 119.5 | ||||
| 399 | S | 30.1 | Very low | 33.1 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | 68.6 | 112.1 | 75.3 | 78.4 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 400 | N | 34.7 | Very low | 32.8 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | -171.7 | 162.8 | 122 | -93.6 | -17.8 | 0 | 0 | 0 | 112.4 | |||||
| 401 | E | 32 | Very low | 32.6 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -77.5 | 159.4 | -171.1 | -60.9 | 163.4 | 132.6 | 0 | 0 | 114.1 | ||||
| 402 | D | 34 | Very low | 32.3 | Very low | 168 Ų | 168 | 134 Ų | 134 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | 125.6 | 146.8 | 126.7 | -148.2 | 5 | 0 | 0 | 0 | 116.6 | |||||
| 403 | G | 31.4 | Very low | 32.1 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 79 | 80.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | Q405 | G403-Q405 PolarHBondContact O-N 2.92Š| ||
| 404 | N | 29.3 | Very low | 31.8 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -85.4 | 105.7 | 166.9 | -174.9 | 24.1 | 0 | 0 | 0 | 111.8 | ||||
| 405 | Q | 31.6 | Very low | 32.1 | Very low | 184 Ų | 184 | 138 Ų | 138 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -139 | 113.4 | 157.7 | -84.7 | -168.6 | -9.7 | 0 | 0 | 109.7 | G403 T407 | G403-Q405 PolarHBondContact O-N 2.92Å; Q405-T407 PolarHBondContact O-N 3.01Å | ||
| 406 | I | 30.3 | Very low | 31.9 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | trans | -77.2 | 120.2 | -179.6 | -67 | 175 | 0 | 0 | 0 | 109.4 | ||||
| 407 | T | 24.4 | Very low | 32.1 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -128.6 | 113.5 | 165.7 | -59.7 | 0 | 0 | 0 | 0 | 108.2 | Q405 | Q405-T407 PolarHBondContact O-N 3.01Š| ||
| 408 | T | 31.9 | Very low | 31.9 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -134.5 | 86.6 | 171.9 | 42.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 409 | Q | 32.9 | Very low | 32 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | 59.9 | 101.2 | 86.5 | -68.6 | -162 | -8.4 | 0 | 0 | 113.5 | |||||
| 410 | S | 27.1 | Very low | 32.2 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -56 | 140.4 | 164.9 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 411 | S | 31.8 | Very low | 32.3 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -122 | 99.2 | 162.5 | 57.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 412 | S | 31.6 | Very low | 32.5 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -64.4 | 136.4 | 175.4 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 413 | V | 33.5 | Very low | 32.3 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | trans | -132.6 | 97.3 | 165 | -168.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 414 | N | 32.5 | Very low | 32.5 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -88.3 | 148.8 | 163.8 | -109.6 | -19.8 | 0 | 0 | 0 | 109.4 | ||||
| 415 | P | 39.6 | Very low | 32.9 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | -129.6 | 121.8 | 136.9 | 18.8 | 0.3 | 0 | 0 | 0 | 111.7 | ||||
| 416 | A | 30.9 | Very low | 33 | Very low | 103 Ų | 103 | 132 Ų | 132 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -80.1 | 146.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 417 | A | 34.8 | Very low | 33.3 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -150.7 | 125.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 418 | A | 32 | Very low | 33.6 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 88% | 0.884 | 82% | 0.82 | S | S | * | * | trans | -103.7 | 150.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 419 | A | 35.1 | Very low | 33.9 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | -139.5 | 142 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 420 | K | 35.6 | Very low | 34 | Very low | 204 Ų | 204 | 130.6 Ų | 130.6 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | -97.1 | 162.6 | -173.5 | -90.1 | -178.4 | 176 | -178.9 | 0 | 112.1 | ||||
| 421 | P | 36.4 | Very low | 34.1 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | trans | -83.8 | 156.9 | -172.6 | 34.5 | -36.9 | 0 | 0 | 0 | 113.5 | ||||
| 422 | E | 35.8 | Very low | 34.3 | Very low | 199 Ų | 199 | 132.9 Ų | 132.9 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | -128.8 | 150.8 | 165.8 | -74.4 | -164.5 | 154 | 0 | 0 | 112 | ||||
| 423 | T | 30.5 | Very low | 34.1 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | trans | -110.8 | 147.6 | -166.2 | 48 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 424 | S | 35.3 | Very low | 34.2 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | trans | -160.1 | 111.1 | 156 | 174.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 425 | N | 36.8 | Very low | 34 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 74% | 0.738 | 82% | 0.819 | S | S | * | * | 53.7 | 131.3 | 87.7 | -63.9 | -15.4 | 0 | 0 | 0 | 112.6 | |||||
| 426 | T | 34.3 | Very low | 33.4 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 73% | 0.73 | 82% | 0.824 | S | S | * | * | cis | -160.6 | 157 | 3.8 | 3.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 427 | D | 36.1 | Very low | 33.4 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | -169.5 | 163.9 | 72.4 | -105.3 | -40.3 | 0 | 0 | 0 | 111.8 | |||||
| 428 | A | 32 | Very low | 33 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 69% | 0.686 | 81% | 0.811 | S | S | * | * | trans | -111.5 | 164 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 429 | L | 38.2 | Very low | 32.9 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | 169.8 | 160.4 | 126.9 | -85.6 | 164.2 | 0 | 0 | 0 | 110.5 | |||||
| 430 | P | 34 | Very low | 32.3 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -132.7 | 166.7 | -137.2 | 43.1 | -27.9 | 0 | 0 | 0 | 117.7 | ||||
| 431 | A | 29.9 | Very low | 32 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | 43.7 | 106 | 141.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 432 | E | 34.5 | Very low | 31.5 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -150.2 | 128.2 | 140.4 | -98.7 | 165.2 | 174.7 | 0 | 0 | 104.7 | ||||
| 433 | S | 28.5 | Very low | 31.1 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | cis | 78.1 | 68.3 | 42.4 | -174.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 434 | E | 35.4 | Very low | 31 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -165.8 | 118.8 | 150.5 | -103.9 | 159 | -153.9 | 0 | 0 | 106.1 | ||||
| 435 | A | 27.7 | Very low | 30.4 | Very low | 88 Ų | 88 | 139.7 Ų | 139.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | 78 | 130.6 | 63.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 436 | E | 28.2 | Very low | 30.2 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | 65.7 | 139.6 | 174.1 | -66.8 | -170.5 | 131.6 | 0 | 0 | 116.9 | ||||
| 437 | T | 29.6 | Very low | 29.7 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | cis | -145.7 | 150.3 | 13.6 | 24.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 438 | A | 26.2 | Very low | 29.4 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -71 | 142 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 439 | K | 30.7 | Very low | 29.3 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -126.3 | 82.6 | 159.2 | -78.2 | -171.6 | 179.3 | 174.4 | 0 | 110.8 | N441 | K439-N441 PolarHBondContact O-N 3.17Š| ||
| 440 | T | 23.5 | Very low | 28.8 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | trans | -50.2 | 125.4 | 153.1 | 41.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 441 | N | 27.9 | Very low | 28.5 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -118 | 67.5 | 169 | -125.2 | 11.2 | 0 | 0 | 0 | 110.1 | K439 | K439-N441 PolarHBondContact O-N 3.17Š| ||
| 442 | T | 26.1 | Very low | 28.5 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -72.4 | 120.2 | 163.2 | 47.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 443 | R | 27.9 | Very low | 28.3 | Very low | 237 Ų | 237 | 142.8 Ų | 142.8 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | -142 | 137.9 | 162 | -164.5 | 166.5 | 179.5 | 175.4 | -2.6 | 110.4 | ||||
| 444 | P | 27.6 | Very low | 28.4 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 160.6 | -155.7 | 37.2 | -37.1 | 0 | 0 | 0 | 114.8 | ||
| 445 | S | 24.5 | Very low | 28.1 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 143.7 | 170.1 | -38.9 | 0 | 0 | 0 | 0 | 113 | ||
| 446 | P | 31.4 | Very low | 28.1 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 121.5 | 163 | 33.1 | -26.5 | 0 | 0 | 0 | 111.6 | ||
| 447 | T | 24.8 | Very low | 28.4 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 132.2 | 168.5 | -42.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 448 | V | 28.5 | Very low | 28.5 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | -150.3 | 102.5 | 149.3 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 449 | N | 30.3 | Very low | 29.2 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | trans | 45 | 119.2 | 138.8 | -50 | -15.6 | 0 | 0 | 0 | 122.9 | ||||
| 450 | E | 27 | Very low | 29.3 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -64.1 | 154.8 | 149.4 | -67 | 160.4 | 105.8 | 0 | 0 | 112.9 | ||||
| 451 | A | 29.2 | Very low | 29.8 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -147.1 | 134.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 452 | E | 29 | Very low | 30 | Very low | 190 Ų | 190 | 138 Ų | 138 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -72.2 | 159.6 | -164.8 | -76.3 | -179.8 | 132.6 | 0 | 0 | 116.4 | ||||
| 453 | P | 30.4 | Very low | 30.3 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -81.5 | 166.6 | -177.7 | 35.1 | -38 | 0 | 0 | 0 | 113.5 | ||||
| 454 | N | 30 | Very low | 30.7 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | -143.7 | 157 | 163.4 | -144.7 | -16.4 | 0 | 0 | 0 | 113 | ||||
| 455 | N | 28.9 | Very low | 30.7 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | -121.1 | 172.7 | -144.7 | -163.5 | -0.5 | 0 | 0 | 0 | 113.6 | ||||
| 456 | S | 28.9 | Very low | 31 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | 78 | 124.9 | 167 | -155.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 457 | S | 33.6 | Very low | 30.8 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | -169.6 | 154.3 | 54.1 | -52.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 458 | A | 31.6 | Very low | 31.2 | Very low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | -109 | -162.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 459 | P | 41.9 | Very low | 31.4 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | cis | -130.1 | -177.7 | -39.3 | 28.2 | -7.3 | 0 | 0 | 0 | 112.9 | ||||
| 460 | E | 32.4 | Very low | 31.2 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | 147 | 123 | 129.9 | -81.8 | -165.6 | 138.3 | 0 | 0 | 114.2 | |||||
| 461 | S | 34.2 | Very low | 31.6 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | 159.6 | 127.7 | 114.9 | -169.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 462 | T | 31.5 | Very low | 32.6 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -6.1 | 153.2 | 156.5 | 65.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 463 | A | 33.6 | Very low | 34.7 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | cis | -162.5 | -171.4 | 33.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 464 | P | 34.5 | Very low | 37.5 | Very low | 110 Ų | 110 | 123 Ų | 123 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | trans | -109.5 | -173 | -146.4 | 44.1 | -41.1 | 0 | 0 | 0 | 118.9 | ||||
| 465 | N | 29 | Very low | 40.5 | Very low | 157 Ų | 157 | 121.3 Ų | 121.3 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | trans | 82.6 | 142.3 | -178.3 | -66.4 | -15.4 | 0 | 0 | 0 | 114.2 | ||||
| 466 | M | 30.4 | Very low | 43.6 | Very low | 172 Ų | 172 | 115.7 Ų | 115.7 | 85% | 0.847 | 71% | 0.711 | S | S | * | * | cis | -129.1 | 165.2 | 10.8 | -66.2 | 170.3 | 50.7 | 0 | 0 | 111.7 | ||||
| 467 | A | 27.8 | Very low | 46.8 | Very low | 107 Ų | 107 | 112.8 Ų | 112.8 | 88% | 0.884 | 69% | 0.688 | S | S | * | * | trans | -74.4 | 125.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 468 | V | 32.1 | Very low | 49.8 | Very low | 123 Ų | 123 | 108.5 Ų | 108.5 | 75% | 0.745 | 66% | 0.655 | S | S | * | * | trans | -107.7 | 145.6 | 169 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 469 | P | 33 | Very low | 53 | Low | 118 Ų | 118 | 104.2 Ų | 104.2 | 77% | 0.766 | 62% | 0.62 | S | S | * | * | trans | -56.2 | 143.2 | 174.5 | -22.5 | 34 | 0 | 0 | 0 | 111 | S471 | P469-S471 PolarHBondContact O-N 2.78Å; P469-S471 VanDerWaalsContact O-N 3.1Å | ||
| 470 | Q | 26.6 | Very low | 55.6 | Low | 203 Ų | 203 | 101 Ų | 101 | 95% | 0.949 | 60% | 0.595 | S | S | * | * | trans | -66.4 | 112.5 | -176.9 | -68.9 | 179.6 | -99.3 | 0 | 0 | 110.7 | ||||
| 471 | S | 35 | Very low | 58.6 | Low | 95 Ų | 95 | 92.1 Ų | 92.1 | 66% | 0.664 | 55% | 0.553 | S | S | * | * | trans | -67 | 144.6 | 165.6 | 46.3 | 0 | 0 | 0 | 0 | 110.8 | P469 T473 | P469-S471 PolarHBondContact O-N 2.78Å; P469-S471 VanDerWaalsContact O-N 3.1Å; S471-T473 PolarHBondContact O-N 2.91Å | ||
| 472 | T | 50.7 | Low | 61.1 | Low | 83 Ų | 83 | 89 Ų | 89 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | trans | -57.3 | 125.2 | 156.7 | 27 | 0 | 0 | 0 | 0 | 108.5 | M474 | T472-M474 PolarHBondContact O-N 3.41Š| ||
| 473 | T | 72.4 | Confident | 63.8 | Low | 126 Ų | 126 | 85.7 Ų | 85.7 | 77% | 0.773 | 53% | 0.526 | S | S | * | . | trans | -72.7 | 101.3 | -177.7 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | S471 | S471-T473 PolarHBondContact O-N 2.91Š| ||
| 474 | M | 90.1 | Very high | 66.5 | Low | 27 Ų | 27 | 84.5 Ų | 84.5 | 13% | 0.133 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 140.7 | 169.6 | -59.8 | -177.9 | 76.4 | 0 | 0 | 110.4 | T472 Q478 E480 L485 V555 | T472-M474 PolarHBondContact O-N 3.41Å; M474-Q478 HydrophobicContact CE-CB 4.03Å; M474-Q478 WeakPolarHBondContact CE-O 3.32Å; M474-E480 HydrophobicContact CE-CB 3.96Å; M474-E480 HydrophobicContact SD-CB 4.17Å; M474-L485 HydrophobicContact CE-CD2 4.41Å; M474-L485 HydrophobicContact CG-CD2 3.85Å; M474-V555 HydrophobicContact CB-CG2 4.42Å; M474-V555 HydrophobicContact SD-CG1 3.88Å; M474-V555 HydrophobicContact SD-CG2 4.19Å |
| 475 | Q | 91.6 | Very high | 69.3 | Low | 135 Ų | 135 | 82.6 Ų | 82.6 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -91.6 | 167.8 | 168 | -59.8 | -171.7 | -11.7 | 0 | 0 | 109.8 | Q478 S549 | Q475-Q478 HydrophobicContact CB-CG 4.47Å; Q475-Q478 WeakPolarHBondContact O-CG 3.42Å; Q475-S549 VanDerWaalsContact O-CB 3.27Å; Q475-S549 WeakPolarHBondContact O-CB 3.47Å; Q475-S549 PolarHBondContact O-OG 3.04Å |
| 476 | A | 94.2 | Very high | 72.4 | Confident | 33 Ų | 33 | 75.2 Ų | 75.2 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -52.2 | 145.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D550 N553 | A476-D550 WeakPolarHBondContact CA-O 3.43Å; A476-N553 WeakPolarHBondContact CB-OD1 3.45Å; A476-N553 PolarHBondContact N-OD1 3.23Å |
| 477 | D | 96.7 | Very high | 75.5 | Confident | 39 Ų | 39 | 70.4 Ų | 70.4 | 21% | 0.209 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 54.5 | 51.6 | 179.9 | -62.3 | -49.7 | 0 | 0 | 0 | 114.3 | Y488 N490 S549 D550 G551 | D477-Y488 VanDerWaalsContact C-CD1 3.47Å; D477-Y488 VanDerWaalsContact CA-CZ 3.47Å; D477-Y488 HydrophobicContact CB-CD2 4.22Å; D477-Y488 HydrophobicContact CB-CE1 4.26Å; D477-Y488 HydrophobicContact CB-CE2 3.81Å; D477-Y488 WeakPolarHBondContact O-CD1 3.22Å; D477-Y488 PolarHBondContact O-N 3.06Å; D477-Y488 VanDerWaalsContact OD1-CE2 3.25Å; D477-Y488 WeakPolarHBondContact OD1-CE2 3.44Å; D477-Y488 VanDerWaalsContact OD1-CZ 3.31Å; D477-Y488 PolarHBondContact OD1-OH 2.82Å; D477-N490 VanDerWaalsContact CG-ND2 3.32Å; D477-N490 PolarHBondContact OD1-ND2 2.65Å; D477-N490 PolarHBondContact OD2-ND2 2.87Å; D477-S549 VanDerWaalsContact CA-O 3.23Å; D477-S549 WeakPolarHBondContact CA-O 3.48Å; D477-S549 PolarHBondContact N-O 2.63Å; D477-D550 PolarHBondContact N-O 3.29Å; D477-G551 PolarHBondContact OD1-N 2.88Å |
| 478 | Q | 97.2 | Very high | 78.8 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 10% | 0.103 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 149.8 | 174.3 | -60.4 | -169.6 | -42.2 | 0 | 0 | 113.1 | M474 Q475 I486 T487 V548 S549 | M474-Q478 HydrophobicContact CE-CB 4.03Å; M474-Q478 WeakPolarHBondContact CE-O 3.32Å; Q475-Q478 HydrophobicContact CB-CG 4.47Å; Q475-Q478 WeakPolarHBondContact O-CG 3.42Å; Q478-I486 CarbonylContact C-O 3.27Å; Q478-I486 VanDerWaalsContact CA-O 3.22Å; Q478-I486 WeakPolarHBondContact CA-O 3.33Å; Q478-T487 PolarHBondContact NE2-OG1 2.79Å; Q478-V548 CarbonylContact O-C 3.5Å; Q478-V548 WeakPolarHBondContact O-CA 3.34Å; Q478-S549 WeakPolarHBondContact CB-OG 3.45Å; Q478-S549 PolarHBondContact N-O 3.48Å; Q478-S549 PolarHBondContact N-OG 3.11Å; Q478-S549 VanDerWaalsContact N-OG 3.1Å; Q478-S549 PolarHBondContact O-N 3.38Å; Q478-S549 PolarHBondContact O-OG 2.85Å; Q478-S549 VanDerWaalsContact O-OG 3.1Å |
| 479 | L | 97.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 146.2 | 163.1 | -56.4 | 117.7 | 0 | 0 | 0 | 109 | I481 L485 I486 Y488 V507 F526 F534 I546 S547 V548 L593 | L479-I481 HydrophobicContact CB-CD1 4.2Å; L479-I481 HydrophobicContact CB-CG1 4.1Å; L479-I481 HydrophobicContact CD2-CD1 4.47Å; L479-L485 CarbonylContact O-C 3.59Å; L479-L485 WeakPolarHBondContact O-CA 3.36Å; L479-I486 HydrophobicContact CB-CB 4.46Å; L479-I486 HydrophobicContact CD1-CG2 4.36Å; L479-I486 PolarHBondContact N-O 3.04Å; L479-I486 PolarHBondContact O-N 3.01Å; L479-Y488 HydrophobicContact CD1-CD1 3.58Å; L479-Y488 HydrophobicContact CD1-CG 4.12Å; L479-Y488 HydrophobicContact CG-CD1 3.86Å; L479-Y488 HydrophobicContact CG-CE1 4.39Å; L479-V507 HydrophobicContact CD1-CB 4.4Å; L479-V507 HydrophobicContact CD1-CG1 3.97Å; L479-F526 HydrophobicContact CD1-CD1 4.33Å; L479-F526 HydrophobicContact CD2-CD1 4.49Å; L479-F526 HydrophobicContact CD2-CD2 4.46Å; L479-F526 HydrophobicContact CD2-CE1 4.49Å; L479-F526 HydrophobicContact CD2-CE2 4.47Å; L479-F526 HydrophobicContact CD2-CG 4.47Å; L479-F526 HydrophobicContact CD2-CZ 4.48Å; L479-F534 HydrophobicContact CD1-CE1 4.35Å; L479-I546 HydrophobicContact CD2-CG2 4.42Å; L479-S547 CarbonylContact C-O 3.48Å; L479-S547 WeakPolarHBondContact CA-O 3.35Å; L479-V548 HydrophobicContact CD2-CG1 4.32Å; L479-V548 HydrophobicContact CD2-CG2 3.97Å; L479-V548 HydrophobicContact CG-CG1 4.35Å; L479-L593 HydrophobicContact CD2-CD2 3.88Å |
| 480 | E | 96.5 | Very high | 84.8 | Confident | 49 Ų | 49 | 60 Ų | 60 | 23% | 0.229 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 110.9 | 164.8 | -168.4 | 178.4 | 166.2 | 0 | 0 | 108.1 | M474 Q484 L485 S547 | M474-E480 HydrophobicContact CE-CB 3.96Å; M474-E480 HydrophobicContact SD-CB 4.17Å; E480-Q484 WeakPolarHBondContact CA-O 3.44Å; E480-L485 HydrophobicContact CB-CD2 3.9Å; E480-L485 HydrophobicContact CG-CD2 3.99Å; E480-S547 PolarHBondContact N-O 3.24Å; E480-S547 PolarHBondContact O-N 2.88Å; E480-S547 VanDerWaalsContact O-N 3.13Å |
| 481 | I | 95.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124.1 | -176.4 | -51.2 | 178 | 0 | 0 | 0 | 107.9 | L479 G483 Q484 I486 F534 V536 L537 V540 I546 L593 | L479-I481 HydrophobicContact CB-CD1 4.2Å; L479-I481 HydrophobicContact CB-CG1 4.1Å; L479-I481 HydrophobicContact CD2-CD1 4.47Å; I481-G483 PolarHBondContact O-N 3.41Å; I481-Q484 PolarHBondContact N-O 3.38Å; I481-Q484 WeakPolarHBondContact O-CB 3.25Å; I481-Q484 PolarHBondContact O-N 2.8Å; I481-I486 HydrophobicContact CD1-CD1 4.18Å; I481-F534 HydrophobicContact CD1-CE1 4.15Å; I481-V536 HydrophobicContact CB-CG1 4.01Å; I481-V536 HydrophobicContact CB-CG2 4.28Å; I481-V536 HydrophobicContact CD1-CG1 4.17Å; I481-V536 HydrophobicContact CG2-CG1 3.87Å; I481-V536 HydrophobicContact CG2-CG2 3.98Å; I481-L537 HydrophobicContact CD1-CD2 4.07Å; I481-V540 HydrophobicContact CG2-CG2 3.42Å; I481-V540 VanDerWaalsContact CG2-CG2 3.42Å; I481-I546 HydrophobicContact CG1-CG1 4.29Å; I481-I546 HydrophobicContact CG1-CG2 3.94Å; I481-I546 HydrophobicContact CG2-CG1 4.35Å; I481-L593 HydrophobicContact CD1-CD2 3.77Å |
| 482 | A | 88.2 | Confident | 90.4 | Very high | 45 Ų | 45 | 47 Ų | 47 | 37% | 0.372 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 19 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V536 | A482-V536 HydrophobicContact CB-CG2 3.89Š|
| 483 | G | 86.7 | Confident | 92.2 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | 1.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | I481 | I481-G483 PolarHBondContact O-N 3.41Š|
| 484 | Q | 90.1 | Very high | 92.5 | Very high | 70 Ų | 70 | 46.6 Ų | 46.6 | 33% | 0.327 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.4 | 173.1 | -172.1 | 176.4 | -11 | 0 | 0 | 110.3 | E480 I481 I486 V536 | E480-Q484 WeakPolarHBondContact CA-O 3.44Å; I481-Q484 PolarHBondContact N-O 3.38Å; I481-Q484 WeakPolarHBondContact O-CB 3.25Å; I481-Q484 PolarHBondContact O-N 2.8Å; Q484-I486 HydrophobicContact CG-CD1 4.31Å; Q484-I486 HydrophobicContact CG-CG1 3.99Å; Q484-V536 HydrophobicContact CB-CG2 4.48Å |
| 485 | L | 93.5 | Very high | 92.4 | Very high | 70 Ų | 70 | 50 Ų | 50 | 37% | 0.366 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.7 | 172.1 | -70.5 | 171 | 0 | 0 | 0 | 110.1 | M474 L479 E480 | M474-L485 HydrophobicContact CE-CD2 4.41Å; M474-L485 HydrophobicContact CG-CD2 3.85Å; L479-L485 CarbonylContact O-C 3.59Å; L479-L485 WeakPolarHBondContact O-CA 3.36Å; E480-L485 HydrophobicContact CB-CD2 3.9Å; E480-L485 HydrophobicContact CG-CD2 3.99Å |
| 486 | I | 94.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.6 | -173.9 | -63.8 | 166.4 | 0 | 0 | 0 | 109.1 | Q478 L479 I481 Q484 V507 I533 V536 | Q478-I486 CarbonylContact C-O 3.27Å; Q478-I486 VanDerWaalsContact CA-O 3.22Å; Q478-I486 WeakPolarHBondContact CA-O 3.33Å; L479-I486 HydrophobicContact CB-CB 4.46Å; L479-I486 HydrophobicContact CD1-CG2 4.36Å; L479-I486 PolarHBondContact N-O 3.04Å; L479-I486 PolarHBondContact O-N 3.01Å; I481-I486 HydrophobicContact CD1-CD1 4.18Å; Q484-I486 HydrophobicContact CG-CD1 4.31Å; Q484-I486 HydrophobicContact CG-CG1 3.99Å; I486-V507 HydrophobicContact CG2-CB 4.31Å; I486-V507 HydrophobicContact CG2-CG2 3.41Å; I486-V507 VanDerWaalsContact CG2-CG2 3.41Å; I486-I533 HydrophobicContact CB-CG1 4.3Å; I486-I533 HydrophobicContact CD1-CG1 4.2Å; I486-I533 HydrophobicContact CG1-CD1 4.09Å; I486-I533 HydrophobicContact CG1-CG1 3.86Å; I486-I533 HydrophobicContact CG2-CG1 3.59Å; I486-V536 HydrophobicContact CD1-CG1 3.67Å |
| 487 | T | 95 | Very high | 92.1 | Very high | 71 Ų | 71 | 45.9 Ų | 45.9 | 44% | 0.436 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 136.2 | 174.6 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | Q478 | Q478-T487 PolarHBondContact NE2-OG1 2.79Å |
| 488 | Y | 96.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 165.6 | 175.3 | 71 | -101.9 | 0 | 0 | 0 | 112.2 | D477 L479 V507 Q516 F526 V548 S549 | D477-Y488 VanDerWaalsContact C-CD1 3.47Å; D477-Y488 VanDerWaalsContact CA-CZ 3.47Å; D477-Y488 HydrophobicContact CB-CD2 4.22Å; D477-Y488 HydrophobicContact CB-CE1 4.26Å; D477-Y488 HydrophobicContact CB-CE2 3.81Å; D477-Y488 WeakPolarHBondContact O-CD1 3.22Å; D477-Y488 PolarHBondContact O-N 3.06Å; D477-Y488 VanDerWaalsContact OD1-CE2 3.25Å; D477-Y488 WeakPolarHBondContact OD1-CE2 3.44Å; D477-Y488 VanDerWaalsContact OD1-CZ 3.31Å; D477-Y488 PolarHBondContact OD1-OH 2.82Å; L479-Y488 HydrophobicContact CD1-CD1 3.58Å; L479-Y488 HydrophobicContact CD1-CG 4.12Å; L479-Y488 HydrophobicContact CG-CD1 3.86Å; L479-Y488 HydrophobicContact CG-CE1 4.39Å; Y488-V507 CarbonylContact C-O 3.46Å; Y488-V507 VanDerWaalsContact CA-O 3.25Å; Y488-V507 WeakPolarHBondContact CA-O 3.32Å; Y488-Q516 HydrophobicContact CE2-CB 4.1Å; Y488-Q516 WeakPolarHBondContact OH-CB 3.48Å; Y488-Q516 WeakPolarHBondContact OH-CG 3.26Å; Y488-F526 AromaticContact CD1-CE1 3.88Å; Y488-F526 HydrophobicContact CD1-CE1 3.88Å; Y488-F526 HydrophobicContact CD2-CD1 4.41Å; Y488-F526 AromaticContact CD2-CE1 3.72Å; Y488-F526 HydrophobicContact CD2-CE1 3.72Å; Y488-F526 HydrophobicContact CE1-CE1 4.05Å; Y488-F526 HydrophobicContact CE1-CZ 4.46Å; Y488-F526 AromaticContact CE2-CE1 3.95Å; Y488-F526 HydrophobicContact CE2-CE1 3.95Å; Y488-F526 HydrophobicContact CG-CD1 4.21Å; Y488-F526 AromaticContact CG-CE1 3.72Å; Y488-F526 HydrophobicContact CG-CE1 3.72Å; Y488-V548 HydrophobicContact CE1-CG1 3.71Å; Y488-S549 PolarHBondContact OH-O 2.93Å |
| 489 | L | 95.8 | Very high | 91.2 | Very high | 76 Ų | 76 | 48.1 Ų | 48.1 | 40% | 0.398 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.8 | 173.7 | -64.8 | 179.1 | 0 | 0 | 0 | 111.9 | A491 I499 L506 V507 A508 T509 | L489-A491 PolarHBondContact O-N 2.79Å; L489-I499 HydrophobicContact CB-CD1 4.45Å; L489-I499 HydrophobicContact CD1-CD1 4.33Å; L489-I499 HydrophobicContact CD1-CG2 3.9Å; L489-L506 HydrophobicContact CD1-CD1 4.22Å; L489-V507 PolarHBondContact N-O 3.25Å; L489-A508 WeakPolarHBondContact O-CA 3.4Å; L489-T509 PolarHBondContact O-N 3Å |
| 490 | N | 95.8 | Very high | 90.8 | Very high | 52 Ų | 52 | 48.3 Ų | 48.3 | 28% | 0.278 | 30% | 0.3 | S | S | . | . | trans | -71.5 | 95.6 | 171.6 | -66.1 | -65.5 | 0 | 0 | 0 | 109.9 | D477 V515 Q516 | D477-N490 VanDerWaalsContact CG-ND2 3.32Å; D477-N490 PolarHBondContact OD1-ND2 2.65Å; D477-N490 PolarHBondContact OD2-ND2 2.87Å; N490-V515 HydrophobicContact CB-CG1 4.42Å; N490-V515 HydrophobicContact CB-CG2 4.31Å; N490-V515 WeakPolarHBondContact OD1-CA 3.41Å; N490-Q516 PolarHBondContact OD1-N 3.44Å | ||
| 491 | A | 91.4 | Very high | 90.3 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | trans | -119.4 | -34.1 | -168 | 0 | 0 | 0 | 0 | 0 | 113.6 | L489 N495 I499 A508 T509 | L489-A491 PolarHBondContact O-N 2.79Å; A491-N495 HydrophobicContact CB-CB 4.19Å; A491-I499 HydrophobicContact CB-CD1 3.51Å; A491-A508 HydrophobicContact CB-CB 4.1Å; A491-T509 PolarHBondContact N-OG1 2.94Å | ||
| 492 | G | 88.7 | Confident | 89.7 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | trans | 57.6 | -178.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114 | G494 N495 G496 T509 W510 | G492-G494 PolarHBondContact O-N 3.01Å; G492-N495 PolarHBondContact O-N 2.75Å; G492-G496 PolarHBondContact O-N 2.73Å; G492-T509 CarbonylContact C-O 3.6Å; G492-T509 WeakPolarHBondContact CA-O 3.46Å; G492-T509 PolarHBondContact N-O 3.49Å; G492-T509 PolarHBondContact N-OG1 2.98Å; G492-W510 CarbonylContact C-O 3.54Å | ||
| 493 | Q | 88 | Confident | 89.5 | Confident | 130 Ų | 130 | 55.4 Ų | 55.4 | 61% | 0.607 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.2 | -172.5 | -152.6 | -179.4 | 18.3 | 0 | 0 | 113.9 | W510 | Q493-W510 WeakPolarHBondContact CA-O 3.41Å; Q493-W510 WeakPolarHBondContact CB-O 3.42Å; Q493-W510 HydrophobicContact CG-CD2 3.9Å; Q493-W510 HydrophobicContact CG-CE3 4.15Å; Q493-W510 HydrophobicContact CG-CH2 4.13Å; Q493-W510 HydrophobicContact CG-CZ2 3.85Å; Q493-W510 HydrophobicContact CG-CZ3 4.27Å; Q493-W510 PolarHBondContact N-O 2.87Å |
| 494 | G | 79.2 | Confident | 89.4 | Confident | 71 Ų | 71 | 54 Ų | 54 | 73% | 0.732 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -21.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | G492 | G492-G494 PolarHBondContact O-N 3.01Š|
| 495 | N | 88.5 | Confident | 89.1 | Confident | 98 Ų | 98 | 53.4 Ų | 53.4 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | -17.5 | -175.7 | -56 | -80.3 | 0 | 0 | 0 | 114.9 | A491 G492 Q497 A498 I499 | A491-N495 HydrophobicContact CB-CB 4.19Å; G492-N495 PolarHBondContact O-N 2.75Å; N495-Q497 VanDerWaalsContact C-N 3.33Å; N495-Q497 PolarHBondContact O-N 2.78Å; N495-A498 PolarHBondContact O-N 3.25Å; N495-A498 VanDerWaalsContact O-N 3.15Å; N495-I499 HydrophobicContact CB-CD1 4.18Å; N495-I499 PolarHBondContact O-N 2.78Å; N495-I499 VanDerWaalsContact O-N 3.12Å |
| 496 | G | 88.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53.8 | -45.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G492 I499 I500 | G492-G496 PolarHBondContact O-N 2.73Å; G496-I499 PolarHBondContact O-N 3.47Å; G496-I500 PolarHBondContact O-N 3.43Å |
| 497 | Q | 90.4 | Very high | 88.9 | Confident | 82 Ų | 82 | 52 Ų | 52 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60 | -51.2 | 178.6 | -168.7 | 65.5 | 51.5 | 0 | 0 | 111.8 | N495 I499 I500 D501 | N495-Q497 VanDerWaalsContact C-N 3.33Å; N495-Q497 PolarHBondContact O-N 2.78Å; Q497-I499 PolarHBondContact O-N 3.1Å; Q497-I499 VanDerWaalsContact O-N 3.15Å; Q497-I500 VanDerWaalsContact O-CG1 3.32Å; Q497-I500 WeakPolarHBondContact O-CG1 3.25Å; Q497-I500 PolarHBondContact O-N 2.87Å; Q497-I500 VanDerWaalsContact O-N 3.17Å; Q497-D501 WeakPolarHBondContact CG-OD2 3.34Å; Q497-D501 PolarHBondContact NE2-OD1 3.35Å; Q497-D501 WeakPolarHBondContact O-CB 3.34Å; Q497-D501 PolarHBondContact O-N 2.95Å |
| 498 | A | 86.8 | Confident | 89 | Confident | 67 Ų | 67 | 48.7 Ų | 48.7 | 55% | 0.554 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.9 | -20.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N495 A502 | N495-A498 PolarHBondContact O-N 3.25Å; N495-A498 VanDerWaalsContact O-N 3.15Å; A498-A502 VanDerWaalsContact O-CB 3.3Å; A498-A502 WeakPolarHBondContact O-CB 3.35Å; A498-A502 PolarHBondContact O-N 3.08Å |
| 499 | I | 87.6 | Confident | 89.1 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -76.7 | -48 | 173.9 | -74.3 | 168.9 | 0 | 0 | 0 | 110.7 | L489 A491 N495 G496 Q497 A502 N503 L506 A508 | L489-I499 HydrophobicContact CB-CD1 4.45Å; L489-I499 HydrophobicContact CD1-CD1 4.33Å; L489-I499 HydrophobicContact CD1-CG2 3.9Å; A491-I499 HydrophobicContact CB-CD1 3.51Å; N495-I499 HydrophobicContact CB-CD1 4.18Å; N495-I499 PolarHBondContact O-N 2.78Å; N495-I499 VanDerWaalsContact O-N 3.12Å; G496-I499 PolarHBondContact O-N 3.47Å; Q497-I499 PolarHBondContact O-N 3.1Å; Q497-I499 VanDerWaalsContact O-N 3.15Å; I499-A502 PolarHBondContact O-N 2.86Å; I499-N503 PolarHBondContact O-N 3.36Å; I499-L506 HydrophobicContact CG2-CB 4.44Å; I499-L506 HydrophobicContact CG2-CD1 4.19Å; I499-A508 HydrophobicContact CB-CB 4.3Å; I499-A508 HydrophobicContact CG2-CB 4.1Å |
| 500 | I | 89.8 | Confident | 89 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.2 | -36.5 | -179 | 66.9 | 163.8 | 0 | 0 | 0 | 111.4 | G496 Q497 A502 N503 L506 A508 I527 H529 | G496-I500 PolarHBondContact O-N 3.43Å; Q497-I500 VanDerWaalsContact O-CG1 3.32Å; Q497-I500 WeakPolarHBondContact O-CG1 3.25Å; Q497-I500 PolarHBondContact O-N 2.87Å; Q497-I500 VanDerWaalsContact O-N 3.17Å; I500-A502 PolarHBondContact O-N 3.4Å; I500-N503 CarbonylContact O-C 3.59Å; I500-N503 PolarHBondContact O-N 2.88Å; I500-N503 VanDerWaalsContact O-O 3.09Å; I500-L506 WeakPolarHBondContact CG2-O 3.42Å; I500-A508 HydrophobicContact CG2-CB 4.02Å; I500-I527 HydrophobicContact CD1-CB 4.24Å; I500-I527 HydrophobicContact CD1-CD1 3.71Å; I500-I527 HydrophobicContact CD1-CG1 3.93Å; I500-I527 HydrophobicContact CG1-CD1 4.22Å; I500-I527 HydrophobicContact CG2-CG1 4.42Å; I500-H529 PolarHBondContact O-CD2 2.78Å; I500-H529 VanDerWaalsContact O-CD2 3.23Å |
| 501 | D | 85.9 | Confident | 88.8 | Confident | 96 Ų | 96 | 45.4 Ų | 45.4 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -30.2 | 173.7 | -64.5 | -8.8 | 0 | 0 | 0 | 112.6 | Q497 H529 | Q497-D501 WeakPolarHBondContact CG-OD2 3.34Å; Q497-D501 PolarHBondContact NE2-OD1 3.35Å; Q497-D501 WeakPolarHBondContact O-CB 3.34Å; Q497-D501 PolarHBondContact O-N 2.95Å; D501-H529 IonicContact OD1-CE1 3.27Å; D501-H529 IonicContact OD1-NE2 3.48Å; D501-H529 PolarHBondContact OD1-NE2 2.66Å |
| 502 | A | 82.8 | Confident | 88.9 | Confident | 85 Ų | 85 | 45.7 Ų | 45.7 | 70% | 0.702 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -81.9 | -18 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A498 I499 I500 | A498-A502 VanDerWaalsContact O-CB 3.3Å; A498-A502 WeakPolarHBondContact O-CB 3.35Å; A498-A502 PolarHBondContact O-N 3.08Å; I499-A502 PolarHBondContact O-N 2.86Å; I500-A502 PolarHBondContact O-N 3.4Å |
| 503 | N | 84 | Confident | 89.2 | Confident | 62 Ų | 62 | 46.2 Ų | 46.2 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | trans | -159.3 | 101.6 | 177.7 | -174.2 | -6.7 | 0 | 0 | 0 | 110.6 | I499 I500 N505 L506 | I499-N503 PolarHBondContact O-N 3.36Å; I500-N503 CarbonylContact O-C 3.59Å; I500-N503 PolarHBondContact O-N 2.88Å; I500-N503 VanDerWaalsContact O-O 3.09Å; N503-N505 PolarHBondContact O-N 2.92Å; N503-N505 WeakPolarHBondContact OD1-CB 3.26Å; N503-N505 PolarHBondContact OD1-N 3.18Å; N503-L506 HydrophobicContact CB-CB 4.49Å; N503-L506 HydrophobicContact CB-CD1 3.99Å; N503-L506 HydrophobicContact CB-CG 4.11Å; N503-L506 PolarHBondContact O-N 3.39Å | ||
| 504 | P | 83.9 | Confident | 89.4 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 20% | 0.201 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -9.3 | 179.8 | 27.8 | -35.4 | 0 | 0 | 0 | 113.5 | A115 L506 H529 G532 I533 | A115-P504 HydrophobicContact CB-CG 4.49Å; P504-L506 VanDerWaalsContact C-N 3.34Å; P504-H529 HydrophobicContact CB-CB 3.93Å; P504-G532 WeakPolarHBondContact O-CA 3.49Å; P504-I533 PolarHBondContact O-N 3.23Å |
| 505 | N | 83.1 | Confident | 90.2 | Very high | 57 Ų | 57 | 44.2 Ų | 44.2 | 31% | 0.305 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 11.4 | 173.2 | -67.8 | -34.5 | 0 | 0 | 0 | 114.2 | Q114 N503 | Q114-N505 PolarHBondContact OE1-ND2 3.09Å; Q114-N505 VanDerWaalsContact OE1-ND2 3.14Å; N503-N505 PolarHBondContact O-N 2.92Å; N503-N505 WeakPolarHBondContact OD1-CB 3.26Å; N503-N505 PolarHBondContact OD1-N 3.18Å |
| 506 | L | 89.1 | Confident | 90.6 | Very high | 44 Ų | 44 | 39.8 Ų | 39.8 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | trans | -114 | 154.5 | 172.2 | -71.5 | 178.7 | 0 | 0 | 0 | 112.7 | L489 I499 I500 N503 P504 | L489-L506 HydrophobicContact CD1-CD1 4.22Å; I499-L506 HydrophobicContact CG2-CB 4.44Å; I499-L506 HydrophobicContact CG2-CD1 4.19Å; I500-L506 WeakPolarHBondContact CG2-O 3.42Å; N503-L506 HydrophobicContact CB-CB 4.49Å; N503-L506 HydrophobicContact CB-CD1 3.99Å; N503-L506 HydrophobicContact CB-CG 4.11Å; N503-L506 PolarHBondContact O-N 3.39Å; P504-L506 VanDerWaalsContact C-N 3.34Å | ||
| 507 | V | 96.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 145.9 | 169.4 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | L479 I486 Y488 L489 F526 I527 I533 F534 | L479-V507 HydrophobicContact CD1-CB 4.4Å; L479-V507 HydrophobicContact CD1-CG1 3.97Å; I486-V507 HydrophobicContact CG2-CB 4.31Å; I486-V507 HydrophobicContact CG2-CG2 3.41Å; I486-V507 VanDerWaalsContact CG2-CG2 3.41Å; Y488-V507 CarbonylContact C-O 3.46Å; Y488-V507 VanDerWaalsContact CA-O 3.25Å; Y488-V507 WeakPolarHBondContact CA-O 3.32Å; L489-V507 PolarHBondContact N-O 3.25Å; V507-F526 HydrophobicContact CG1-CB 3.96Å; V507-F526 HydrophobicContact CG1-CD1 3.96Å; V507-F526 HydrophobicContact CG1-CG 4.42Å; V507-I527 WeakPolarHBondContact CA-O 3.45Å; V507-I527 WeakPolarHBondContact CG1-O 2.9Å; V507-I533 HydrophobicContact CG2-CG2 3.62Å; V507-F534 HydrophobicContact CB-CE1 4.18Å; V507-F534 HydrophobicContact CB-CZ 4.41Å; V507-F534 HydrophobicContact CG1-CD1 4.49Å; V507-F534 HydrophobicContact CG1-CE1 3.71Å; V507-F534 HydrophobicContact CG1-CE2 4.15Å; V507-F534 HydrophobicContact CG1-CZ 3.49Å; V507-F534 VanDerWaalsContact CG1-CZ 3.49Å; V507-F534 HydrophobicContact CG2-CD1 3.4Å; V507-F534 VanDerWaalsContact CG2-CD1 3.4Å; V507-F534 HydrophobicContact CG2-CE1 3.31Å; V507-F534 HydrophobicContact CG2-CG 4.17Å; V507-F534 HydrophobicContact CG2-CZ 3.95Å |
| 508 | A | 96.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 151.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L489 A491 I499 I500 F526 I527 | L489-A508 WeakPolarHBondContact O-CA 3.4Å; A491-A508 HydrophobicContact CB-CB 4.1Å; I499-A508 HydrophobicContact CB-CB 4.3Å; I499-A508 HydrophobicContact CG2-CB 4.1Å; I500-A508 HydrophobicContact CG2-CB 4.02Å; A508-F526 WeakPolarHBondContact O-CA 3.44Å; A508-I527 PolarHBondContact N-O 2.94Å; A508-I527 PolarHBondContact O-N 3.48Å |
| 509 | T | 97.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 141.6 | 165.3 | 65 | 0 | 0 | 0 | 0 | 109.9 | L489 A491 G492 S514 T524 H525 F526 | L489-T509 PolarHBondContact O-N 3Å; A491-T509 PolarHBondContact N-OG1 2.94Å; G492-T509 CarbonylContact C-O 3.6Å; G492-T509 WeakPolarHBondContact CA-O 3.46Å; G492-T509 PolarHBondContact N-O 3.49Å; G492-T509 PolarHBondContact N-OG1 2.98Å; T509-S514 PolarHBondContact OG1-O 2.87Å; T509-T524 HydrophobicContact CG2-CG2 3.62Å; T509-H525 CarbonylContact C-O 3.56Å; T509-H525 WeakPolarHBondContact CA-O 3.39Å; T509-F526 HydrophobicContact CG2-CD1 4.02Å; T509-F526 HydrophobicContact CG2-CE1 3.78Å; T509-F526 HydrophobicContact CG2-CZ 4.38Å |
| 510 | W | 94.7 | Very high | 91.8 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 20% | 0.197 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | -55.8 | -178.8 | -168.1 | 95 | 0 | 0 | 0 | 112.7 | G492 Q493 H525 I527 W579 T583 | G492-W510 CarbonylContact C-O 3.54Å; Q493-W510 WeakPolarHBondContact CA-O 3.41Å; Q493-W510 WeakPolarHBondContact CB-O 3.42Å; Q493-W510 HydrophobicContact CG-CD2 3.9Å; Q493-W510 HydrophobicContact CG-CE3 4.15Å; Q493-W510 HydrophobicContact CG-CH2 4.13Å; Q493-W510 HydrophobicContact CG-CZ2 3.85Å; Q493-W510 HydrophobicContact CG-CZ3 4.27Å; Q493-W510 PolarHBondContact N-O 2.87Å; W510-H525 PolarHBondContact N-O 3.47Å; W510-I527 HydrophobicContact CB-CD1 3.72Å; W510-I527 HydrophobicContact CB-CG1 3.92Å; W510-I527 HydrophobicContact CB-CG2 3.94Å; W510-I527 VanDerWaalsContact CD1-CD1 3.49Å; W510-I527 HydrophobicContact CG-CD1 3.78Å; W510-I527 HydrophobicContact CG-CG2 4.5Å; W510-W579 HydrophobicContact CH2-CH2 4.21Å; W510-W579 HydrophobicContact CZ3-CH2 4.43Å; W510-T583 HydrophobicContact CZ3-CG2 4.1Å |
| 511 | G | 90.9 | Very high | 92 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 179.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H525 | G511-H525 PolarHBondContact N-CD2 3.47Å; G511-H525 WeakPolarHBondContact O-CB 3.29Å; G511-H525 PolarHBondContact O-N 2.97Å |
| 512 | G | 93.6 | Very high | 92.5 | Very high | 26 Ų | 26 | 39.8 Ų | 39.8 | 27% | 0.268 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.4 | -138.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N523 T583 | G512-N523 CarbonylContact C-O 3.51Å; G512-N523 WeakPolarHBondContact CA-O 3.42Å; G512-T583 WeakPolarHBondContact CA-O 3.36Å; G512-T583 PolarHBondContact N-O 2.84Å |
| 513 | A | 94.8 | Very high | 93.1 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | trans | -67.4 | 132.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V515 A522 N523 | A513-V515 PolarHBondContact O-N 2.87Å; A513-A522 HydrophobicContact CB-CB 4.21Å; A513-N523 PolarHBondContact N-O 3.03Å | ||
| 514 | S | 93.1 | Very high | 93.8 | Very high | 74 Ų | 74 | 32.9 Ų | 32.9 | 52% | 0.517 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -71.8 | -17.4 | 179.4 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | T509 | T509-S514 PolarHBondContact OG1-O 2.87Š|
| 515 | V | 95.7 | Very high | 94.4 | Very high | 85 Ų | 85 | 31.4 Ų | 31.4 | 52% | 0.515 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -128.8 | 128.4 | 177.2 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | N490 A513 S517 | N490-V515 HydrophobicContact CB-CG1 4.42Å; N490-V515 HydrophobicContact CB-CG2 4.31Å; N490-V515 WeakPolarHBondContact OD1-CA 3.41Å; A513-V515 PolarHBondContact O-N 2.87Å; V515-S517 PolarHBondContact O-N 3.06Å |
| 516 | Q | 96.7 | Very high | 95.2 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 2% | 0.023 | 18% | 0.181 | C | C | . | . | trans | -64 | 124.8 | 175.4 | 171.3 | 60.2 | 11.7 | 0 | 0 | 110.7 | Y488 N490 T524 F526 V548 Y558 | Y488-Q516 HydrophobicContact CE2-CB 4.1Å; Y488-Q516 WeakPolarHBondContact OH-CB 3.48Å; Y488-Q516 WeakPolarHBondContact OH-CG 3.26Å; N490-Q516 PolarHBondContact OD1-N 3.44Å; Q516-T524 HydrophobicContact CB-CG2 4.24Å; Q516-T524 PolarHBondContact OE1-OG1 3Å; Q516-F526 HydrophobicContact CB-CZ 4Å; Q516-F526 HydrophobicContact CG-CZ 4Å; Q516-V548 HydrophobicContact CG-CG1 3.84Å; Q516-Y558 PolarHBondContact NE2-OH 2.84Å | ||
| 517 | S | 96.1 | Very high | 95.6 | Very high | 28 Ų | 28 | 27 Ų | 27 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | trans | -123.3 | 155.7 | 158.1 | -150.2 | 0 | 0 | 0 | 0 | 108.3 | V515 D519 | V515-S517 PolarHBondContact O-N 3.06Å; S517-D519 PolarHBondContact OG-OD1 2.96Å | ||
| 518 | G | 94.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -100.3 | 5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S556 Y558 E589 K609 | G518-S556 WeakPolarHBondContact CA-OG 3.41Å; G518-S556 PolarHBondContact O-OG 2.65Å; G518-Y558 WeakPolarHBondContact CA-OH 3.48Å; G518-E589 VanDerWaalsContact C-OE1 3.26Å; G518-E589 WeakPolarHBondContact CA-OE1 3.34Å; G518-E589 VanDerWaalsContact O-CD 3.31Å; G518-K609 PolarHBondContact O-NZ 3.09Å |
| 519 | D | 93.7 | Very high | 95.2 | Very high | 128 Ų | 128 | 29 Ų | 29 | 68% | 0.684 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -150.2 | 9.3 | -167.5 | 68.6 | -19.3 | 0 | 0 | 0 | 114.2 | S517 G521 E589 | S517-D519 PolarHBondContact OG-OD1 2.96Å; D519-G521 VanDerWaalsContact C-N 3.31Å; D519-E589 WeakPolarHBondContact CA-OE2 3.48Å; D519-E589 PolarHBondContact N-OE2 3.04Å |
| 520 | D | 94.1 | Very high | 94.5 | Very high | 83 Ų | 83 | 30 Ų | 30 | 44% | 0.444 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -84.7 | -9.8 | 177.9 | 76.3 | -11 | 0 | 0 | 0 | 112.5 | A522 E589 | D520-A522 VanDerWaalsContact C-N 3.28Å; D520-A522 WeakPolarHBondContact OD1-CB 3.34Å; D520-A522 PolarHBondContact OD1-N 3.43Å; D520-E589 PolarHBondContact N-OE2 2.88Å |
| 521 | G | 94.9 | Very high | 93.7 | Very high | 36 Ų | 36 | 30.1 Ų | 30.1 | 37% | 0.371 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 77 | 15.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D519 G588 E589 | D519-G521 VanDerWaalsContact C-N 3.31Å; G521-G588 CarbonylContact O-C 3.59Å; G521-G588 VanDerWaalsContact O-CA 3.23Å; G521-G588 WeakPolarHBondContact O-CA 3.21Å; G521-E589 PolarHBondContact N-OE2 3.07Å |
| 522 | A | 95.1 | Very high | 93.3 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 12% | 0.116 | 20% | 0.195 | C | C | . | . | trans | -98.5 | 172.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A513 D520 S585 G588 E589 R590 | A513-A522 HydrophobicContact CB-CB 4.21Å; D520-A522 VanDerWaalsContact C-N 3.28Å; D520-A522 WeakPolarHBondContact OD1-CB 3.34Å; D520-A522 PolarHBondContact OD1-N 3.43Å; A522-S585 VanDerWaalsContact CA-O 3.29Å; A522-S585 WeakPolarHBondContact CA-O 3.1Å; A522-G588 CarbonylContact C-O 3.54Å; A522-E589 WeakPolarHBondContact O-CA 3.33Å; A522-R590 PolarHBondContact O-N 3.1Å; A522-R590 VanDerWaalsContact O-N 3.11Å | ||
| 523 | N | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135.3 | 163.5 | 171 | 44.8 | 0 | 0 | 0 | 109.9 | G512 A513 I582 S584 S585 R590 S592 | G512-N523 CarbonylContact C-O 3.51Å; G512-N523 WeakPolarHBondContact CA-O 3.42Å; A513-N523 PolarHBondContact N-O 3.03Å; N523-I582 PolarHBondContact ND2-O 3.31Å; N523-S584 WeakPolarHBondContact CB-O 3.25Å; N523-S584 PolarHBondContact ND2-O 3.43Å; N523-S585 PolarHBondContact N-O 2.97Å; N523-R590 WeakPolarHBondContact CA-O 3.03Å; N523-R590 HydrophobicContact CB-CG 3.7Å; N523-R590 VanDerWaalsContact CB-CZ 3.47Å; N523-S592 PolarHBondContact OD1-N 2.96Å |
| 524 | T | 97.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.8 | 165.2 | -54.5 | 0 | 0 | 0 | 0 | 109.8 | T509 Q516 F526 R590 I591 S592 | T509-T524 HydrophobicContact CG2-CG2 3.62Å; Q516-T524 HydrophobicContact CB-CG2 4.24Å; Q516-T524 PolarHBondContact OE1-OG1 3Å; T524-F526 HydrophobicContact CG2-CD2 4.15Å; T524-F526 HydrophobicContact CG2-CE1 4.26Å; T524-F526 HydrophobicContact CG2-CE2 3.57Å; T524-F526 HydrophobicContact CG2-CZ 3.64Å; T524-R590 PolarHBondContact N-O 3.23Å; T524-I591 WeakPolarHBondContact O-CA 3.4Å; T524-S592 PolarHBondContact O-N 2.96Å; T524-S592 VanDerWaalsContact O-N 3.08Å |
| 525 | H | 97.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118.2 | 179.1 | 177.5 | 45.4 | 0 | 0 | 0 | 111.1 | T509 W510 G511 I582 S592 Q594 | T509-H525 CarbonylContact C-O 3.56Å; T509-H525 WeakPolarHBondContact CA-O 3.39Å; W510-H525 PolarHBondContact N-O 3.47Å; G511-H525 PolarHBondContact N-CD2 3.47Å; G511-H525 WeakPolarHBondContact O-CB 3.29Å; G511-H525 PolarHBondContact O-N 2.97Å; H525-I582 WeakPolarHBondContact CE1-CG2 3.44Å; H525-S592 CarbonylContact C-O 3.48Å; H525-S592 VanDerWaalsContact CA-O 3.29Å; H525-S592 WeakPolarHBondContact CA-O 3.33Å; H525-S592 WeakPolarHBondContact CA-OG 3.48Å; H525-S592 VanDerWaalsContact CB-OG 3.25Å; H525-S592 WeakPolarHBondContact CB-OG 3.35Å; H525-S592 PolarHBondContact ND1-O 3.07Å; H525-S592 PolarHBondContact ND1-OG 3.13Å; H525-Q594 VanDerWaalsContact CE1-CB 3.5Å; H525-Q594 WeakPolarHBondContact CE1-CB 3.37Å; H525-Q594 PolarHBondContact CE1-OE1 2.9Å; H525-Q594 PolarHBondContact NE2-OE1 2.81Å |
| 526 | F | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 138.4 | 178.7 | -62 | -92.1 | 0 | 0 | 0 | 110.9 | L479 Y488 V507 A508 T509 Q516 T524 F534 V548 I591 S592 L593 Q594 | L479-F526 HydrophobicContact CD1-CD1 4.33Å; L479-F526 HydrophobicContact CD2-CD1 4.49Å; L479-F526 HydrophobicContact CD2-CD2 4.46Å; L479-F526 HydrophobicContact CD2-CE1 4.49Å; L479-F526 HydrophobicContact CD2-CE2 4.47Å; L479-F526 HydrophobicContact CD2-CG 4.47Å; L479-F526 HydrophobicContact CD2-CZ 4.48Å; Y488-F526 AromaticContact CD1-CE1 3.88Å; Y488-F526 HydrophobicContact CD1-CE1 3.88Å; Y488-F526 HydrophobicContact CD2-CD1 4.41Å; Y488-F526 AromaticContact CD2-CE1 3.72Å; Y488-F526 HydrophobicContact CD2-CE1 3.72Å; Y488-F526 HydrophobicContact CE1-CE1 4.05Å; Y488-F526 HydrophobicContact CE1-CZ 4.46Å; Y488-F526 AromaticContact CE2-CE1 3.95Å; Y488-F526 HydrophobicContact CE2-CE1 3.95Å; Y488-F526 HydrophobicContact CG-CD1 4.21Å; Y488-F526 AromaticContact CG-CE1 3.72Å; Y488-F526 HydrophobicContact CG-CE1 3.72Å; V507-F526 HydrophobicContact CG1-CB 3.96Å; V507-F526 HydrophobicContact CG1-CD1 3.96Å; V507-F526 HydrophobicContact CG1-CG 4.42Å; A508-F526 WeakPolarHBondContact O-CA 3.44Å; T509-F526 HydrophobicContact CG2-CD1 4.02Å; T509-F526 HydrophobicContact CG2-CE1 3.78Å; T509-F526 HydrophobicContact CG2-CZ 4.38Å; Q516-F526 HydrophobicContact CB-CZ 4Å; Q516-F526 HydrophobicContact CG-CZ 4Å; T524-F526 HydrophobicContact CG2-CD2 4.15Å; T524-F526 HydrophobicContact CG2-CE1 4.26Å; T524-F526 HydrophobicContact CG2-CE2 3.57Å; T524-F526 HydrophobicContact CG2-CZ 3.64Å; F526-F534 HydrophobicContact CB-CE2 4.1Å; F526-F534 HydrophobicContact CB-CZ 3.79Å; F526-V548 HydrophobicContact CZ-CG1 4.21Å; F526-I591 HydrophobicContact CD2-CB 4.37Å; F526-I591 HydrophobicContact CD2-CG2 4.48Å; F526-I591 HydrophobicContact CE2-CB 4.17Å; F526-I591 HydrophobicContact CE2-CG2 3.8Å; F526-S592 PolarHBondContact N-O 2.98Å; F526-L593 WeakPolarHBondContact O-CA 3.23Å; F526-Q594 PolarHBondContact O-N 3.49Å |
| 527 | I | 97.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 5% | 0.046 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.3 | 174.1 | 63 | 170.2 | 0 | 0 | 0 | 110.7 | I500 V507 A508 W510 Q594 | I500-I527 HydrophobicContact CD1-CB 4.24Å; I500-I527 HydrophobicContact CD1-CD1 3.71Å; I500-I527 HydrophobicContact CD1-CG1 3.93Å; I500-I527 HydrophobicContact CG1-CD1 4.22Å; I500-I527 HydrophobicContact CG2-CG1 4.42Å; V507-I527 WeakPolarHBondContact CA-O 3.45Å; V507-I527 WeakPolarHBondContact CG1-O 2.9Å; A508-I527 PolarHBondContact N-O 2.94Å; A508-I527 PolarHBondContact O-N 3.48Å; W510-I527 HydrophobicContact CB-CD1 3.72Å; W510-I527 HydrophobicContact CB-CG1 3.92Å; W510-I527 HydrophobicContact CB-CG2 3.94Å; W510-I527 VanDerWaalsContact CD1-CD1 3.49Å; W510-I527 HydrophobicContact CG-CD1 3.78Å; W510-I527 HydrophobicContact CG-CG2 4.5Å; I527-Q594 HydrophobicContact CG2-CB 4.32Å |
| 528 | G | 95.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | trans | -168 | 152.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | F534 Q594 T595 | G528-F534 VanDerWaalsContact N-CD2 3.3Å; G528-Q594 PolarHBondContact N-O 2.92Å; G528-T595 WeakPolarHBondContact O-CA 3.29Å; G528-T595 VanDerWaalsContact O-CB 3.32Å; G528-T595 WeakPolarHBondContact O-CB 3.34Å; G528-T595 PolarHBondContact O-OG1 3.18Å | ||
| 529 | H | 90.7 | Very high | 91.5 | Very high | 40 Ų | 40 | 28.3 Ų | 28.3 | 19% | 0.185 | 17% | 0.169 | C | C | . | . | trans | -75.7 | 152.1 | -173.1 | -76.1 | -48.2 | 0 | 0 | 0 | 113.5 | I500 D501 P504 P531 G532 F534 T595 | I500-H529 PolarHBondContact O-CD2 2.78Å; I500-H529 VanDerWaalsContact O-CD2 3.23Å; D501-H529 IonicContact OD1-CE1 3.27Å; D501-H529 IonicContact OD1-NE2 3.48Å; D501-H529 PolarHBondContact OD1-NE2 2.66Å; P504-H529 HydrophobicContact CB-CB 3.93Å; H529-P531 CarbonylContact C-O 3.48Å; H529-G532 CarbonylContact O-C 3.52Å; H529-G532 VanDerWaalsContact O-C 3.27Å; H529-G532 VanDerWaalsContact O-CA 3.25Å; H529-G532 WeakPolarHBondContact O-CA 3.37Å; H529-F534 PolarHBondContact O-N 2.9Å; H529-T595 VanDerWaalsContact C-OG1 3.28Å | ||
| 530 | N | 83.1 | Confident | 91.2 | Very high | 20 Ų | 20 | 22.8 Ų | 22.8 | 11% | 0.107 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.9 | 121.1 | 164.8 | 172.4 | 58.3 | 0 | 0 | 0 | 107.2 | N535 F538 T595 C596 | N530-N535 WeakPolarHBondContact OD1-CB 3.48Å; N530-F538 HydrophobicContact CB-CE2 4.23Å; N530-F538 VanDerWaalsContact ND2-CE2 3.34Å; N530-F538 WeakPolarHBondContact ND2-CE2 3.46Å; N530-T595 HydrophobicContact CB-CG2 4.03Å; N530-T595 WeakPolarHBondContact CB-OG1 3.37Å; N530-T595 PolarHBondContact N-OG1 2.81Å; N530-C596 WeakPolarHBondContact CB-O 3.49Å; N530-C596 PolarHBondContact ND2-O 3.46Å |
| 531 | P | 77.2 | Confident | 90.8 | Very high | 54 Ų | 54 | 20.2 Ų | 20.2 | 35% | 0.351 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -58.7 | 145.3 | -5.6 | 27.1 | -35 | 0 | 0 | 0 | 112.1 | D118 H529 | D118-P531 HydrophobicContact CB-CB 3.98Å; D118-P531 HydrophobicContact CB-CG 3.84Å; D118-P531 WeakPolarHBondContact OD1-CG 3.26Å; H529-P531 CarbonylContact C-O 3.48Å |
| 532 | G | 82.4 | Confident | 90.7 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 9% | 0.093 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 145.8 | -171.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P504 H529 F534 N535 | P504-G532 WeakPolarHBondContact O-CA 3.49Å; H529-G532 CarbonylContact O-C 3.52Å; H529-G532 VanDerWaalsContact O-C 3.27Å; H529-G532 VanDerWaalsContact O-CA 3.25Å; H529-G532 WeakPolarHBondContact O-CA 3.37Å; G532-F534 PolarHBondContact O-N 3.07Å; G532-F534 VanDerWaalsContact O-N 3.12Å; G532-N535 PolarHBondContact O-N 3.31Å; G532-N535 PolarHBondContact O-OD1 3.45Å |
| 533 | I | 87.3 | Confident | 90.5 | Very high | 27 Ų | 27 | 24.8 Ų | 24.8 | 14% | 0.138 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17 | -171.3 | -164.9 | 63.2 | 0 | 0 | 0 | 114.6 | I486 P504 V507 | I486-I533 HydrophobicContact CB-CG1 4.3Å; I486-I533 HydrophobicContact CD1-CG1 4.2Å; I486-I533 HydrophobicContact CG1-CD1 4.09Å; I486-I533 HydrophobicContact CG1-CG1 3.86Å; I486-I533 HydrophobicContact CG2-CG1 3.59Å; P504-I533 PolarHBondContact O-N 3.23Å; V507-I533 HydrophobicContact CG2-CG2 3.62Å |
| 534 | F | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 2.6 | -174.2 | -113.9 | 27.5 | 0 | 0 | 0 | 114 | L479 I481 V507 F526 G528 H529 G532 V536 L537 L593 Q594 | L479-F534 HydrophobicContact CD1-CE1 4.35Å; I481-F534 HydrophobicContact CD1-CE1 4.15Å; V507-F534 HydrophobicContact CB-CE1 4.18Å; V507-F534 HydrophobicContact CB-CZ 4.41Å; V507-F534 HydrophobicContact CG1-CD1 4.49Å; V507-F534 HydrophobicContact CG1-CE1 3.71Å; V507-F534 HydrophobicContact CG1-CE2 4.15Å; V507-F534 HydrophobicContact CG1-CZ 3.49Å; V507-F534 VanDerWaalsContact CG1-CZ 3.49Å; V507-F534 HydrophobicContact CG2-CD1 3.4Å; V507-F534 VanDerWaalsContact CG2-CD1 3.4Å; V507-F534 HydrophobicContact CG2-CE1 3.31Å; V507-F534 HydrophobicContact CG2-CG 4.17Å; V507-F534 HydrophobicContact CG2-CZ 3.95Å; F526-F534 HydrophobicContact CB-CE2 4.1Å; F526-F534 HydrophobicContact CB-CZ 3.79Å; G528-F534 VanDerWaalsContact N-CD2 3.3Å; H529-F534 PolarHBondContact O-N 2.9Å; G532-F534 PolarHBondContact O-N 3.07Å; G532-F534 VanDerWaalsContact O-N 3.12Å; F534-V536 PolarHBondContact O-N 2.74Å; F534-V536 VanDerWaalsContact O-N 3.1Å; F534-L537 HydrophobicContact CB-CD1 4.46Å; F534-L537 HydrophobicContact CD2-CD1 3.68Å; F534-L537 HydrophobicContact CE2-CD1 4.02Å; F534-L537 HydrophobicContact CG-CD1 4.02Å; F534-L537 HydrophobicContact CG-CG 4.41Å; F534-L537 WeakPolarHBondContact O-CB 3.5Å; F534-L537 VanDerWaalsContact O-CG 3.28Å; F534-L537 WeakPolarHBondContact O-CG 3.32Å; F534-L537 PolarHBondContact O-N 3.39Å; F534-L537 VanDerWaalsContact O-N 3.11Å; F534-L593 HydrophobicContact CE1-CD2 4.37Å; F534-L593 HydrophobicContact CE2-CB 4.02Å; F534-L593 HydrophobicContact CZ-CB 4.11Å; F534-L593 HydrophobicContact CZ-CD2 3.87Å; F534-L593 HydrophobicContact CZ-CG 4.44Å; F534-Q594 VanDerWaalsContact CD2-O 3.3Å; F534-Q594 WeakPolarHBondContact CD2-O 3.45Å |
| 535 | N | 85.7 | Confident | 90.3 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 12% | 0.123 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -56.4 | -24.5 | 168 | 84.3 | -70.8 | 0 | 0 | 0 | 112.7 | Q120 N530 G532 L537 F538 | Q120-N535 VanDerWaalsContact CD-ND2 3.27Å; Q120-N535 PolarHBondContact NE2-ND2 3.35Å; Q120-N535 PolarHBondContact NE2-OD1 3.26Å; Q120-N535 VanDerWaalsContact NE2-OD1 3.15Å; Q120-N535 PolarHBondContact OE1-ND2 3.23Å; Q120-N535 PolarHBondContact OE1-OD1 3.24Å; N530-N535 WeakPolarHBondContact OD1-CB 3.48Å; G532-N535 PolarHBondContact O-N 3.31Å; G532-N535 PolarHBondContact O-OD1 3.45Å; N535-L537 PolarHBondContact O-N 3.17Å; N535-F538 WeakPolarHBondContact O-CB 3.35Å; N535-F538 WeakPolarHBondContact O-CD2 3.32Å; N535-F538 PolarHBondContact O-N 3.22Å |
| 536 | V | 90.4 | Very high | 90.3 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -54.3 | -26.4 | 176.9 | 69.5 | 0 | 0 | 0 | 0 | 112.1 | I481 A482 Q484 I486 F534 F538 S539 | I481-V536 HydrophobicContact CB-CG1 4.01Å; I481-V536 HydrophobicContact CB-CG2 4.28Å; I481-V536 HydrophobicContact CD1-CG1 4.17Å; I481-V536 HydrophobicContact CG2-CG1 3.87Å; I481-V536 HydrophobicContact CG2-CG2 3.98Å; A482-V536 HydrophobicContact CB-CG2 3.89Å; Q484-V536 HydrophobicContact CB-CG2 4.48Å; I486-V536 HydrophobicContact CD1-CG1 3.67Å; F534-V536 PolarHBondContact O-N 2.74Å; F534-V536 VanDerWaalsContact O-N 3.1Å; V536-F538 PolarHBondContact O-N 2.91Å; V536-S539 WeakPolarHBondContact O-CB 3.44Å; V536-S539 PolarHBondContact O-N 3.27Å; V536-S539 PolarHBondContact O-OG 2.75Å |
| 537 | L | 93.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -58.9 | -28.7 | 176.3 | -63 | 179.4 | 0 | 0 | 0 | 113.2 | I481 F534 N535 S539 V540 L593 T595 L603 V605 | I481-L537 HydrophobicContact CD1-CD2 4.07Å; F534-L537 HydrophobicContact CB-CD1 4.46Å; F534-L537 HydrophobicContact CD2-CD1 3.68Å; F534-L537 HydrophobicContact CE2-CD1 4.02Å; F534-L537 HydrophobicContact CG-CD1 4.02Å; F534-L537 HydrophobicContact CG-CG 4.41Å; F534-L537 WeakPolarHBondContact O-CB 3.5Å; F534-L537 VanDerWaalsContact O-CG 3.28Å; F534-L537 WeakPolarHBondContact O-CG 3.32Å; F534-L537 PolarHBondContact O-N 3.39Å; F534-L537 VanDerWaalsContact O-N 3.11Å; N535-L537 PolarHBondContact O-N 3.17Å; L537-S539 PolarHBondContact O-N 3.25Å; L537-V540 WeakPolarHBondContact O-CB 3.3Å; L537-V540 PolarHBondContact O-N 3.45Å; L537-L593 HydrophobicContact CD1-CB 3.81Å; L537-L593 HydrophobicContact CD2-CB 3.87Å; L537-L593 HydrophobicContact CD2-CD2 3.98Å; L537-L593 HydrophobicContact CD2-CG 4.42Å; L537-T595 HydrophobicContact CB-CG2 4.4Å; L537-T595 HydrophobicContact CD1-CG2 4.03Å; L537-L603 HydrophobicContact CB-CD2 3.95Å; L537-V605 HydrophobicContact CB-CG2 4.11Å; L537-V605 HydrophobicContact CD2-CB 4.45Å; L537-V605 HydrophobicContact CD2-CG2 4.1Å; L537-V605 HydrophobicContact CG-CG2 4.48Å |
| 538 | F | 89.9 | Confident | 90.3 | Very high | 64 Ų | 64 | 31.8 Ų | 31.8 | 28% | 0.281 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -70.8 | -15.4 | 175.1 | -69.4 | -97.1 | 0 | 0 | 0 | 113.4 | N530 N535 V536 T595 I597 L603 | N530-F538 HydrophobicContact CB-CE2 4.23Å; N530-F538 VanDerWaalsContact ND2-CE2 3.34Å; N530-F538 WeakPolarHBondContact ND2-CE2 3.46Å; N535-F538 WeakPolarHBondContact O-CB 3.35Å; N535-F538 WeakPolarHBondContact O-CD2 3.32Å; N535-F538 PolarHBondContact O-N 3.22Å; V536-F538 PolarHBondContact O-N 2.91Å; F538-T595 HydrophobicContact CD2-CG2 4.29Å; F538-T595 HydrophobicContact CE2-CG2 3.6Å; F538-T595 HydrophobicContact CZ-CG2 4.4Å; F538-I597 HydrophobicContact CE1-CG1 4.04Å; F538-I597 HydrophobicContact CZ-CB 4.46Å; F538-I597 HydrophobicContact CZ-CG1 3.79Å; F538-L603 HydrophobicContact CD1-CD2 3.99Å; F538-L603 HydrophobicContact CD2-CD2 3.92Å; F538-L603 HydrophobicContact CE1-CD2 4.08Å; F538-L603 HydrophobicContact CE2-CD2 4.02Å; F538-L603 HydrophobicContact CG-CD2 3.91Å; F538-L603 HydrophobicContact CZ-CB 4.25Å; F538-L603 HydrophobicContact CZ-CD2 4.1Å |
| 539 | S | 85.9 | Confident | 90.3 | Very high | 73 Ų | 73 | 31.7 Ų | 31.7 | 51% | 0.51 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -88.1 | -10.4 | 173.6 | 75 | 0 | 0 | 0 | 0 | 113.7 | V536 L537 | V536-S539 WeakPolarHBondContact O-CB 3.44Å; V536-S539 PolarHBondContact O-N 3.27Å; V536-S539 PolarHBondContact O-OG 2.75Å; L537-S539 PolarHBondContact O-N 3.25Å |
| 540 | V | 86.8 | Confident | 90.6 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -87.5 | 132.6 | -169.9 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | I481 L537 E544 V560 I563 | I481-V540 HydrophobicContact CG2-CG2 3.42Å; I481-V540 VanDerWaalsContact CG2-CG2 3.42Å; L537-V540 WeakPolarHBondContact O-CB 3.3Å; L537-V540 PolarHBondContact O-N 3.45Å; V540-E544 WeakPolarHBondContact CA-OE2 3.38Å; V540-E544 HydrophobicContact CG1-CB 4.39Å; V540-V560 HydrophobicContact CG1-CB 4.49Å; V540-V560 HydrophobicContact CG1-CG2 3.66Å; V540-I563 WeakPolarHBondContact O-CD1 3.41Å |
| 541 | G | 86.4 | Confident | 91.1 | Very high | 29 Ų | 29 | 31.8 Ų | 31.8 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -99.9 | 157.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G543 E544 V560 | G541-G543 PolarHBondContact O-N 3.49Å; G541-E544 PolarHBondContact N-OE2 2.86Å; G541-E544 WeakPolarHBondContact O-CB 3.47Å; G541-E544 PolarHBondContact O-N 2.95Å; G541-E544 VanDerWaalsContact O-N 3.12Å; G541-V560 WeakPolarHBondContact O-CB 3.43Å |
| 542 | V | 93 | Very high | 91.8 | Very high | 96 Ų | 96 | 32.4 Ų | 32.4 | 58% | 0.582 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 132.1 | 165 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | V560 I563 | V542-V560 HydrophobicContact CG2-CG1 4.49Å; V542-I563 HydrophobicContact CG2-CD1 4.34Å; V542-I563 HydrophobicContact CG2-CG1 4.14Å |
| 543 | G | 91.2 | Very high | 92.3 | Very high | 49 Ų | 49 | 36.5 Ų | 36.5 | 51% | 0.505 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91 | -11.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G541 V560 | G541-G543 PolarHBondContact O-N 3.49Å; G543-V560 PolarHBondContact N-O 3.29Å |
| 544 | E | 93 | Very high | 92.6 | Very high | 51 Ų | 51 | 39.8 Ų | 39.8 | 24% | 0.238 | 26% | 0.262 | C | S | . | . | trans | -75.1 | 160.8 | 173 | -66.9 | -162 | 127.9 | 0 | 0 | 112.2 | R247 V540 G541 T559 V560 | R247-E544 IonicContact NE-OE1 3.61Å; V540-E544 WeakPolarHBondContact CA-OE2 3.38Å; V540-E544 HydrophobicContact CG1-CB 4.39Å; G541-E544 PolarHBondContact N-OE2 2.86Å; G541-E544 WeakPolarHBondContact O-CB 3.47Å; G541-E544 PolarHBondContact O-N 2.95Å; G541-E544 VanDerWaalsContact O-N 3.12Å; E544-T559 WeakPolarHBondContact O-CA 3.47Å; E544-V560 WeakPolarHBondContact O-CG2 3.27Å; E544-V560 PolarHBondContact O-N 2.57Å | ||
| 545 | T | 96.5 | Very high | 92.8 | Very high | 85 Ų | 85 | 43.4 Ų | 43.4 | 52% | 0.521 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 135.3 | -176.6 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | T557 Y558 | T545-T557 HydrophobicContact CG2-CG2 3.99Å; T545-Y558 CarbonylContact C-O 3.59Å; T545-Y558 VanDerWaalsContact CA-O 3.28Å; T545-Y558 WeakPolarHBondContact CA-O 3.47Å |
| 546 | I | 97.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127 | 168.9 | -65.3 | 171.8 | 0 | 0 | 0 | 107.9 | L479 I481 V548 T557 Y558 V560 I591 L593 V605 | L479-I546 HydrophobicContact CD2-CG2 4.42Å; I481-I546 HydrophobicContact CG1-CG1 4.29Å; I481-I546 HydrophobicContact CG1-CG2 3.94Å; I481-I546 HydrophobicContact CG2-CG1 4.35Å; I546-V548 HydrophobicContact CG2-CG2 4.13Å; I546-T557 WeakPolarHBondContact O-CA 3.38Å; I546-Y558 PolarHBondContact N-O 3.02Å; I546-Y558 PolarHBondContact O-N 2.8Å; I546-V560 HydrophobicContact CD1-CG2 3.98Å; I546-V560 HydrophobicContact CG1-CG2 4.29Å; I546-I591 HydrophobicContact CB-CD1 4.34Å; I546-I591 HydrophobicContact CG2-CD1 3.87Å; I546-L593 HydrophobicContact CD1-CD1 3.77Å; I546-L593 HydrophobicContact CD1-CD2 4.17Å; I546-V605 HydrophobicContact CD1-CG1 4.33Å |
| 547 | S | 97.9 | Very high | 93.7 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 144.6 | 172 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | L479 E480 S556 T557 | L479-S547 CarbonylContact C-O 3.48Å; L479-S547 WeakPolarHBondContact CA-O 3.35Å; E480-S547 PolarHBondContact N-O 3.24Å; E480-S547 PolarHBondContact O-N 2.88Å; E480-S547 VanDerWaalsContact O-N 3.13Å; S547-S556 CarbonylContact C-O 3.6Å; S547-S556 WeakPolarHBondContact CA-O 3.42Å; S547-T557 PolarHBondContact OG-OG1 3.16Å |
| 548 | V | 97.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 126.5 | -178.9 | -163.9 | 0 | 0 | 0 | 0 | 109.2 | Q478 L479 Y488 Q516 F526 I546 V555 S556 Y558 I591 | Q478-V548 CarbonylContact O-C 3.5Å; Q478-V548 WeakPolarHBondContact O-CA 3.34Å; L479-V548 HydrophobicContact CD2-CG1 4.32Å; L479-V548 HydrophobicContact CD2-CG2 3.97Å; L479-V548 HydrophobicContact CG-CG1 4.35Å; Y488-V548 HydrophobicContact CE1-CG1 3.71Å; Q516-V548 HydrophobicContact CG-CG1 3.84Å; F526-V548 HydrophobicContact CZ-CG1 4.21Å; I546-V548 HydrophobicContact CG2-CG2 4.13Å; V548-V555 CarbonylContact O-C 3.45Å; V548-V555 WeakPolarHBondContact O-CA 3.41Å; V548-S556 PolarHBondContact N-O 3.04Å; V548-S556 PolarHBondContact O-N 3.41Å; V548-Y558 HydrophobicContact CB-CE2 4.16Å; V548-Y558 HydrophobicContact CG2-CD2 3.89Å; V548-Y558 HydrophobicContact CG2-CE2 3.78Å; V548-I591 HydrophobicContact CG2-CD1 3.86Å |
| 549 | S | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121.1 | 174 | 44.6 | 0 | 0 | 0 | 0 | 110.7 | Q475 D477 Q478 Y488 N554 | Q475-S549 VanDerWaalsContact O-CB 3.27Å; Q475-S549 WeakPolarHBondContact O-CB 3.47Å; Q475-S549 PolarHBondContact O-OG 3.04Å; D477-S549 VanDerWaalsContact CA-O 3.23Å; D477-S549 WeakPolarHBondContact CA-O 3.48Å; D477-S549 PolarHBondContact N-O 2.63Å; Q478-S549 WeakPolarHBondContact CB-OG 3.45Å; Q478-S549 PolarHBondContact N-O 3.48Å; Q478-S549 PolarHBondContact N-OG 3.11Å; Q478-S549 VanDerWaalsContact N-OG 3.1Å; Q478-S549 PolarHBondContact O-N 3.38Å; Q478-S549 PolarHBondContact O-OG 2.85Å; Q478-S549 VanDerWaalsContact O-OG 3.1Å; Y488-S549 PolarHBondContact OH-O 2.93Å; S549-N554 WeakPolarHBondContact CA-O 3.39Å |
| 550 | D | 96.5 | Very high | 94.8 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | trans | -71 | 175.5 | 176.2 | 71.8 | 14.9 | 0 | 0 | 0 | 113 | A476 D477 A552 N553 N554 | A476-D550 WeakPolarHBondContact CA-O 3.43Å; D477-D550 PolarHBondContact N-O 3.29Å; D550-A552 PolarHBondContact O-N 2.97Å; D550-A552 VanDerWaalsContact O-N 3.07Å; D550-A552 VanDerWaalsContact OD1-C 3.26Å; D550-A552 VanDerWaalsContact OD1-CA 3.23Å; D550-A552 WeakPolarHBondContact OD1-CA 3.26Å; D550-A552 WeakPolarHBondContact OD1-CB 3.4Å; D550-A552 PolarHBondContact OD1-N 3.5Å; D550-N553 PolarHBondContact O-N 3.1Å; D550-N553 PolarHBondContact OD1-N 2.96Å; D550-N554 PolarHBondContact N-O 2.98Å; D550-N554 PolarHBondContact OD1-N 3.35Å; D550-N554 PolarHBondContact OD1-ND2 3.2Å; D550-N554 WeakPolarHBondContact OD2-CB 3.23Å; D550-N554 PolarHBondContact OD2-ND2 2.87Å | ||
| 551 | G | 92.7 | Very high | 95.2 | Very high | 49 Ų | 49 | 43.8 Ų | 43.8 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -11.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D477 | D477-G551 PolarHBondContact OD1-N 2.88Š|
| 552 | A | 92.7 | Very high | 95.7 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 0.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D550 | D550-A552 PolarHBondContact O-N 2.97Å; D550-A552 VanDerWaalsContact O-N 3.07Å; D550-A552 VanDerWaalsContact OD1-C 3.26Å; D550-A552 VanDerWaalsContact OD1-CA 3.23Å; D550-A552 WeakPolarHBondContact OD1-CA 3.26Å; D550-A552 WeakPolarHBondContact OD1-CB 3.4Å; D550-A552 PolarHBondContact OD1-N 3.5Å |
| 553 | N | 92.1 | Very high | 95.8 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 51% | 0.508 | 28% | 0.277 | S | S | . | . | trans | 69.7 | 20.9 | -173 | -46.4 | -102.3 | 0 | 0 | 0 | 114.5 | A476 D550 | A476-N553 WeakPolarHBondContact CB-OD1 3.45Å; A476-N553 PolarHBondContact N-OD1 3.23Å; D550-N553 PolarHBondContact O-N 3.1Å; D550-N553 PolarHBondContact OD1-N 2.96Å | ||
| 554 | N | 94.8 | Very high | 96 | Very high | 96 Ų | 96 | 42 Ų | 42 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | trans | -77.9 | 122.8 | 168.7 | -50.5 | -63.7 | 0 | 0 | 0 | 109 | S549 D550 | S549-N554 WeakPolarHBondContact CA-O 3.39Å; D550-N554 PolarHBondContact N-O 2.98Å; D550-N554 PolarHBondContact OD1-N 3.35Å; D550-N554 PolarHBondContact OD1-ND2 3.2Å; D550-N554 WeakPolarHBondContact OD2-CB 3.23Å; D550-N554 PolarHBondContact OD2-ND2 2.87Å | ||
| 555 | V | 96.6 | Very high | 96.1 | Very high | 77 Ų | 77 | 42.7 Ų | 42.7 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.7 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | M474 V548 | M474-V555 HydrophobicContact CB-CG2 4.42Å; M474-V555 HydrophobicContact SD-CG1 3.88Å; M474-V555 HydrophobicContact SD-CG2 4.19Å; V548-V555 CarbonylContact O-C 3.45Å; V548-V555 WeakPolarHBondContact O-CA 3.41Å |
| 556 | S | 97.2 | Very high | 96 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 145.4 | 165.1 | -70.8 | 0 | 0 | 0 | 0 | 110.4 | G518 S547 V548 K609 | G518-S556 WeakPolarHBondContact CA-OG 3.41Å; G518-S556 PolarHBondContact O-OG 2.65Å; S547-S556 CarbonylContact C-O 3.6Å; S547-S556 WeakPolarHBondContact CA-O 3.42Å; V548-S556 PolarHBondContact N-O 3.04Å; V548-S556 PolarHBondContact O-N 3.41Å; S556-K609 PolarHBondContact OG-NZ 3.39Å |
| 557 | T | 97.4 | Very high | 95.7 | Very high | 61 Ų | 61 | 41.3 Ų | 41.3 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.2 | 177.2 | -55.5 | 0 | 0 | 0 | 0 | 108.7 | T545 I546 S547 | T545-T557 HydrophobicContact CG2-CG2 3.99Å; I546-T557 WeakPolarHBondContact O-CA 3.38Å; S547-T557 PolarHBondContact OG-OG1 3.16Å |
| 558 | Y | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.6 | -179.9 | -57.8 | -97.8 | 0 | 0 | 0 | 108.9 | Q516 G518 T545 I546 V548 E589 I591 N608 K609 | Q516-Y558 PolarHBondContact NE2-OH 2.84Å; G518-Y558 WeakPolarHBondContact CA-OH 3.48Å; T545-Y558 CarbonylContact C-O 3.59Å; T545-Y558 VanDerWaalsContact CA-O 3.28Å; T545-Y558 WeakPolarHBondContact CA-O 3.47Å; I546-Y558 PolarHBondContact N-O 3.02Å; I546-Y558 PolarHBondContact O-N 2.8Å; V548-Y558 HydrophobicContact CB-CE2 4.16Å; V548-Y558 HydrophobicContact CG2-CD2 3.89Å; V548-Y558 HydrophobicContact CG2-CE2 3.78Å; Y558-E589 HydrophobicContact CE1-CG 4.2Å; Y558-E589 WeakPolarHBondContact CE1-OE1 3.35Å; Y558-E589 PolarHBondContact OH-OE1 3.03Å; Y558-I591 HydrophobicContact CD1-CG1 4.24Å; Y558-I591 HydrophobicContact CD1-CG2 4.32Å; Y558-I591 HydrophobicContact CD2-CD1 3.79Å; Y558-I591 HydrophobicContact CD2-CG1 4.22Å; Y558-I591 HydrophobicContact CD2-CG2 4.3Å; Y558-I591 HydrophobicContact CE1-CG2 3.98Å; Y558-I591 HydrophobicContact CE2-CD1 4.35Å; Y558-I591 HydrophobicContact CE2-CG2 3.95Å; Y558-I591 HydrophobicContact CG-CD1 3.97Å; Y558-I591 HydrophobicContact CG-CG1 3.98Å; Y558-I591 HydrophobicContact CG-CG2 4.49Å; Y558-N608 CarbonylContact C-O 3.56Å; Y558-N608 WeakPolarHBondContact CA-O 3.48Å; Y558-K609 HydrophobicContact CD1-CB 4.01Å; Y558-K609 HydrophobicContact CE1-CB 4.14Å |
| 559 | T | 97.4 | Very high | 95 | Very high | 63 Ų | 63 | 48.7 Ų | 48.7 | 39% | 0.387 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127.3 | 175.4 | -51.8 | 0 | 0 | 0 | 0 | 109.5 | E544 S561 A607 N608 | E544-T559 WeakPolarHBondContact O-CA 3.47Å; T559-S561 PolarHBondContact O-N 3.35Å; T559-A607 CarbonylContact O-C 3.44Å; T559-A607 VanDerWaalsContact O-CA 3.25Å; T559-A607 WeakPolarHBondContact O-CA 3.42Å; T559-N608 PolarHBondContact N-O 3.11Å; T559-N608 PolarHBondContact O-N 2.98Å |
| 560 | V | 97.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 118.4 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | V540 G541 V542 G543 E544 I546 I563 V605 A607 | V540-V560 HydrophobicContact CG1-CB 4.49Å; V540-V560 HydrophobicContact CG1-CG2 3.66Å; G541-V560 WeakPolarHBondContact O-CB 3.43Å; V542-V560 HydrophobicContact CG2-CG1 4.49Å; G543-V560 PolarHBondContact N-O 3.29Å; E544-V560 WeakPolarHBondContact O-CG2 3.27Å; E544-V560 PolarHBondContact O-N 2.57Å; I546-V560 HydrophobicContact CD1-CG2 3.98Å; I546-V560 HydrophobicContact CG1-CG2 4.29Å; V560-I563 HydrophobicContact CG1-CD1 4.15Å; V560-I563 HydrophobicContact CG1-CG1 3.88Å; V560-V605 HydrophobicContact CB-CG1 4.49Å; V560-V605 HydrophobicContact CG1-CG1 3.76Å; V560-V605 HydrophobicContact CG2-CG1 3.89Å; V560-A607 HydrophobicContact CG2-CB 4.08Å |
| 561 | S | 96.4 | Very high | 94.6 | Very high | 55 Ų | 55 | 50.8 Ų | 50.8 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -29.7 | -174.4 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | T559 F606 N608 | T559-S561 PolarHBondContact O-N 3.35Å; S561-F606 PolarHBondContact N-O 3.47Å; S561-F606 PolarHBondContact OG-O 2.78Å; S561-N608 VanDerWaalsContact CB-ND2 3.27Å; S561-N608 WeakPolarHBondContact CB-ND2 3.27Å; S561-N608 PolarHBondContact OG-ND2 3.11Å |
| 562 | Q | 95.4 | Very high | 94.5 | Very high | 61 Ų | 61 | 49.3 Ų | 49.3 | 29% | 0.285 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 143.1 | -174.7 | -172.5 | -178.7 | 8.6 | 0 | 0 | 109.4 | V564 Y578 F606 | Q562-V564 HydrophobicContact CG-CG1 3.93Å; Q562-V564 VanDerWaalsContact NE2-CG1 3.3Å; Q562-Y578 PolarHBondContact NE2-OH 2.93Å; Q562-Y578 VanDerWaalsContact NE2-OH 3.07Å; Q562-F606 HydrophobicContact CB-CB 4.3Å; Q562-F606 HydrophobicContact CB-CD2 4.09Å; Q562-F606 HydrophobicContact CG-CD2 4.3Å; Q562-F606 PolarHBondContact N-O 3.38Å; Q562-F606 PolarHBondContact O-N 3.22Å |
| 563 | I | 96 | Very high | 94.2 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 28% | 0.282 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.9 | 169.6 | -57.4 | 177.6 | 0 | 0 | 0 | 106.7 | V540 V542 V560 L603 I604 V605 | V540-I563 WeakPolarHBondContact O-CD1 3.41Å; V542-I563 HydrophobicContact CG2-CD1 4.34Å; V542-I563 HydrophobicContact CG2-CG1 4.14Å; V560-I563 HydrophobicContact CG1-CD1 4.15Å; V560-I563 HydrophobicContact CG1-CG1 3.88Å; I563-L603 HydrophobicContact CG2-CD1 3.57Å; I563-L603 HydrophobicContact CG2-CG 4.4Å; I563-I604 CarbonylContact C-O 2.99Å; I563-I604 VanDerWaalsContact CA-O 3.31Å; I563-I604 WeakPolarHBondContact CA-O 3.47Å; I563-V605 HydrophobicContact CG1-CG1 4.4Å; I563-V605 HydrophobicContact CG1-CG2 4.29Å; I563-V605 HydrophobicContact CG2-CG2 4.42Å |
| 564 | V | 95.6 | Very high | 94.1 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 155.4 | 178.8 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | Q562 V566 Y578 I604 F606 | Q562-V564 HydrophobicContact CG-CG1 3.93Å; Q562-V564 VanDerWaalsContact NE2-CG1 3.3Å; V564-V566 HydrophobicContact CG2-CG1 4.03Å; V564-Y578 HydrophobicContact CB-CE2 4.44Å; V564-Y578 HydrophobicContact CG1-CE1 4.22Å; V564-Y578 HydrophobicContact CG1-CE2 4.16Å; V564-Y578 HydrophobicContact CG2-CD1 4.46Å; V564-Y578 HydrophobicContact CG2-CD2 4.29Å; V564-Y578 HydrophobicContact CG2-CE2 4.38Å; V564-Y578 HydrophobicContact CG2-CG 4.33Å; V564-I604 HydrophobicContact CG2-CB 3.78Å; V564-I604 HydrophobicContact CG2-CG1 4.2Å; V564-I604 HydrophobicContact CG2-CG2 4.44Å; V564-I604 PolarHBondContact N-O 2.84Å; V564-I604 PolarHBondContact O-N 3.28Å; V564-F606 HydrophobicContact CG2-CE2 3.85Å |
| 565 | T | 94.8 | Very high | 93.9 | Very high | 67 Ų | 67 | 54.5 Ų | 54.5 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.2 | 166.6 | -63.4 | 0 | 0 | 0 | 0 | 108.9 | I597 Y601 N602 | T565-I597 HydrophobicContact CG2-CD1 3.55Å; T565-Y601 HydrophobicContact CG2-CD1 3.89Å; T565-Y601 HydrophobicContact CG2-CG 4.37Å; T565-N602 WeakPolarHBondContact CA-O 3.42Å |
| 566 | V | 93.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 157 | 179.1 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | V564 M571 A572 Y578 I582 Y601 N602 I604 | V564-V566 HydrophobicContact CG2-CG1 4.03Å; V566-M571 CarbonylContact C-O 3.57Å; V566-M571 VanDerWaalsContact CA-O 3.26Å; V566-M571 WeakPolarHBondContact CA-O 3.25Å; V566-A572 HydrophobicContact CG1-CB 4.41Å; V566-Y578 HydrophobicContact CG1-CD2 3.85Å; V566-Y578 HydrophobicContact CG1-CG 4.36Å; V566-I582 HydrophobicContact CG2-CD1 4.33Å; V566-Y601 CarbonylContact O-C 3.49Å; V566-Y601 WeakPolarHBondContact O-CA 3.32Å; V566-N602 HydrophobicContact CG2-CB 4.18Å; V566-N602 PolarHBondContact N-O 2.95Å; V566-N602 PolarHBondContact O-N 3.02Å; V566-I604 HydrophobicContact CG1-CG1 4.41Å; V566-I604 HydrophobicContact CG2-CD1 3.91Å; V566-I604 HydrophobicContact CG2-CG1 3.55Å |
| 567 | D | 92.2 | Very high | 93.7 | Very high | 54 Ų | 54 | 57.7 Ų | 57.7 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 175 | 165.8 | 71.8 | 15 | 0 | 0 | 0 | 112.2 | S569 G570 M571 D600 Y601 | D567-S569 PolarHBondContact O-N 2.81Å; D567-S569 VanDerWaalsContact OD1-CA 3.27Å; D567-S569 WeakPolarHBondContact OD1-CA 3.29Å; D567-S569 WeakPolarHBondContact OD1-CB 3.32Å; D567-S569 PolarHBondContact OD1-N 2.78Å; D567-S569 PolarHBondContact OD1-OG 2.7Å; D567-S569 PolarHBondContact OD2-OG 3.41Å; D567-G570 PolarHBondContact O-N 3Å; D567-G570 PolarHBondContact OD1-N 3.23Å; D567-M571 PolarHBondContact N-O 3.47Å; D567-M571 WeakPolarHBondContact OD1-CB 3.23Å; D567-M571 PolarHBondContact OD1-N 3.47Å; D567-D600 WeakPolarHBondContact CA-O 3.49Å; D567-Y601 HydrophobicContact CB-CE1 4.48Å |
| 568 | D | 88.8 | Confident | 93.7 | Very high | 113 Ų | 113 | 56.1 Ų | 56.1 | 60% | 0.604 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -13.1 | 175.6 | -87.5 | 2.7 | 0 | 0 | 0 | 115.2 | N602 | D568-N602 PolarHBondContact OD1-ND2 2.75Š|
| 569 | S | 91.4 | Very high | 93.5 | Very high | 63 Ų | 63 | 60.9 Ų | 60.9 | 44% | 0.441 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 2.7 | 173.9 | 73.7 | 0 | 0 | 0 | 0 | 113.8 | D567 M571 | D567-S569 PolarHBondContact O-N 2.81Å; D567-S569 VanDerWaalsContact OD1-CA 3.27Å; D567-S569 WeakPolarHBondContact OD1-CA 3.29Å; D567-S569 WeakPolarHBondContact OD1-CB 3.32Å; D567-S569 PolarHBondContact OD1-N 2.78Å; D567-S569 PolarHBondContact OD1-OG 2.7Å; D567-S569 PolarHBondContact OD2-OG 3.41Å; S569-M571 VanDerWaalsContact OG-CG 3.32Å; S569-M571 WeakPolarHBondContact OG-CG 3.39Å |
| 570 | G | 90.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 82.3 | 15 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | D567 Y578 | D567-G570 PolarHBondContact O-N 3Å; D567-G570 PolarHBondContact OD1-N 3.23Å; G570-Y578 WeakPolarHBondContact O-CB 3.39Å; G570-Y578 PolarHBondContact O-N 3.18Å |
| 571 | M | 95 | Very high | 93.3 | Very high | 56 Ų | 56 | 67.3 Ų | 67.3 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -94.5 | 128 | -178.2 | -60.2 | -64.2 | -52.3 | 0 | 0 | 111.7 | V566 D567 S569 G575 D577 | V566-M571 CarbonylContact C-O 3.57Å; V566-M571 VanDerWaalsContact CA-O 3.26Å; V566-M571 WeakPolarHBondContact CA-O 3.25Å; D567-M571 PolarHBondContact N-O 3.47Å; D567-M571 WeakPolarHBondContact OD1-CB 3.23Å; D567-M571 PolarHBondContact OD1-N 3.47Å; S569-M571 VanDerWaalsContact OG-CG 3.32Å; S569-M571 WeakPolarHBondContact OG-CG 3.39Å; M571-G575 WeakPolarHBondContact CE-O 3.36Å; M571-D577 HydrophobicContact CE-CB 4.13Å; M571-D577 HydrophobicContact SD-CB 3.58Å; M571-D577 VanDerWaalsContact SD-CB 3.58Å |
| 572 | A | 91.6 | Very high | 93.2 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | trans | -81 | 164.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V566 D574 G575 T576 Y578 | V566-A572 HydrophobicContact CG1-CB 4.41Å; A572-D574 PolarHBondContact O-N 3.17Å; A572-D574 VanDerWaalsContact O-N 3.15Å; A572-G575 PolarHBondContact O-N 2.99Å; A572-T576 PolarHBondContact N-O 2.92Å; A572-Y578 HydrophobicContact CB-CD2 4.1Å; A572-Y578 HydrophobicContact CB-CE2 3.76Å | ||
| 573 | E | 85.7 | Confident | 93.1 | Very high | 194 Ų | 194 | 63.1 Ų | 63.1 | 91% | 0.907 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -30.1 | -179.7 | -169.9 | -176.6 | -173.8 | 0 | 0 | 113.3 | G575 | E573-G575 PolarHBondContact O-N 3.05Š|
| 574 | D | 89.9 | Confident | 92.9 | Very high | 121 Ų | 121 | 62.3 Ų | 62.3 | 65% | 0.647 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -3.3 | 176.9 | 73.5 | -6.7 | 0 | 0 | 0 | 114.3 | A572 T576 | A572-D574 PolarHBondContact O-N 3.17Å; A572-D574 VanDerWaalsContact O-N 3.15Å; D574-T576 VanDerWaalsContact CG-OG1 3.25Å; D574-T576 WeakPolarHBondContact OD1-CB 3.41Å; D574-T576 PolarHBondContact OD1-N 2.95Å; D574-T576 PolarHBondContact OD1-OG1 3.09Å; D574-T576 PolarHBondContact OD2-OG1 3.43Å |
| 575 | G | 90.7 | Very high | 92.7 | Very high | 51 Ų | 51 | 64.4 Ų | 64.4 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 84.3 | 12.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | M571 A572 E573 | M571-G575 WeakPolarHBondContact CE-O 3.36Å; A572-G575 PolarHBondContact O-N 2.99Å; E573-G575 PolarHBondContact O-N 3.05Å |
| 576 | T | 94.5 | Very high | 92.3 | Very high | 53 Ų | 53 | 63.1 Ų | 63.1 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | trans | -73.4 | 126.9 | 171.3 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | A572 D574 Y578 | A572-T576 PolarHBondContact N-O 2.92Å; D574-T576 VanDerWaalsContact CG-OG1 3.25Å; D574-T576 WeakPolarHBondContact OD1-CB 3.41Å; D574-T576 PolarHBondContact OD1-N 2.95Å; D574-T576 PolarHBondContact OD1-OG1 3.09Å; D574-T576 PolarHBondContact OD2-OG1 3.43Å; T576-Y578 HydrophobicContact CG2-CD2 4.01Å; T576-Y578 HydrophobicContact CG2-CE1 4.25Å; T576-Y578 HydrophobicContact CG2-CE2 3.46Å; T576-Y578 VanDerWaalsContact CG2-CE2 3.46Å | ||
| 577 | D | 96.1 | Very high | 91.9 | Very high | 102 Ų | 102 | 66.9 Ų | 66.9 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -86.7 | 114.9 | 174.3 | -178.8 | -9.5 | 0 | 0 | 0 | 109.9 | M571 W579 | M571-D577 HydrophobicContact CE-CB 4.13Å; M571-D577 HydrophobicContact SD-CB 3.58Å; M571-D577 VanDerWaalsContact SD-CB 3.58Å; D577-W579 WeakPolarHBondContact OD1-CB 3.48Å; D577-W579 PolarHBondContact OD1-N 3.01Å |
| 578 | Y | 96.3 | Very high | 91.9 | Very high | 27 Ų | 27 | 65.9 Ų | 65.9 | 11% | 0.106 | 40% | 0.397 | C | S | . | . | trans | -101 | -0.5 | 176.4 | -72.5 | -81.9 | 0 | 0 | 0 | 113.4 | Q562 V564 V566 G570 A572 T576 E580 Q581 I582 F606 | Q562-Y578 PolarHBondContact NE2-OH 2.93Å; Q562-Y578 VanDerWaalsContact NE2-OH 3.07Å; V564-Y578 HydrophobicContact CB-CE2 4.44Å; V564-Y578 HydrophobicContact CG1-CE1 4.22Å; V564-Y578 HydrophobicContact CG1-CE2 4.16Å; V564-Y578 HydrophobicContact CG2-CD1 4.46Å; V564-Y578 HydrophobicContact CG2-CD2 4.29Å; V564-Y578 HydrophobicContact CG2-CE2 4.38Å; V564-Y578 HydrophobicContact CG2-CG 4.33Å; V566-Y578 HydrophobicContact CG1-CD2 3.85Å; V566-Y578 HydrophobicContact CG1-CG 4.36Å; G570-Y578 WeakPolarHBondContact O-CB 3.39Å; G570-Y578 PolarHBondContact O-N 3.18Å; A572-Y578 HydrophobicContact CB-CD2 4.1Å; A572-Y578 HydrophobicContact CB-CE2 3.76Å; T576-Y578 HydrophobicContact CG2-CD2 4.01Å; T576-Y578 HydrophobicContact CG2-CE1 4.25Å; T576-Y578 HydrophobicContact CG2-CE2 3.46Å; T576-Y578 VanDerWaalsContact CG2-CE2 3.46Å; Y578-E580 PolarHBondContact O-N 3.32Å; Y578-Q581 WeakPolarHBondContact O-CA 3.28Å; Y578-Q581 WeakPolarHBondContact O-CB 3.49Å; Y578-Q581 PolarHBondContact O-N 3.18Å; Y578-I582 VanDerWaalsContact O-CG1 3.28Å; Y578-I582 WeakPolarHBondContact O-CG1 3.45Å; Y578-I582 PolarHBondContact O-N 2.81Å; Y578-F606 AromaticContact CD1-CE2 3.96Å; Y578-F606 HydrophobicContact CD1-CE2 3.96Å; Y578-F606 HydrophobicContact CD1-CZ 4.09Å; Y578-F606 HydrophobicContact CE1-CE2 4.41Å | ||
| 579 | W | 94.7 | Very high | 92.2 | Very high | 101 Ų | 101 | 62.1 Ų | 62.1 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54 | -47.9 | -169.8 | -178.9 | -90.6 | 0 | 0 | 0 | 113.4 | W510 D577 I582 T583 | W510-W579 HydrophobicContact CH2-CH2 4.21Å; W510-W579 HydrophobicContact CZ3-CH2 4.43Å; D577-W579 WeakPolarHBondContact OD1-CB 3.48Å; D577-W579 PolarHBondContact OD1-N 3.01Å; W579-I582 PolarHBondContact O-N 2.81Å; W579-T583 HydrophobicContact CD2-CG2 4.31Å; W579-T583 HydrophobicContact CZ2-CG2 4.2Å; W579-T583 PolarHBondContact NE1-OG1 3.26Å; W579-T583 WeakPolarHBondContact O-CB 3.48Å; W579-T583 PolarHBondContact O-N 3.35Å; W579-T583 PolarHBondContact O-OG1 2.86Å |
| 580 | E | 94.5 | Very high | 92.5 | Very high | 128 Ų | 128 | 60 Ų | 60 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67.6 | -36.1 | 176 | -78.4 | -72.6 | 150.1 | 0 | 0 | 112.1 | Y578 I582 S584 | Y578-E580 PolarHBondContact O-N 3.32Å; E580-I582 VanDerWaalsContact C-N 3.33Å; E580-I582 PolarHBondContact O-N 2.93Å; E580-S584 WeakPolarHBondContact O-CA 3.18Å; E580-S584 WeakPolarHBondContact O-CB 3.44Å; E580-S584 PolarHBondContact O-N 2.89Å; E580-S584 VanDerWaalsContact OE2-CB 3.28Å; E580-S584 WeakPolarHBondContact OE2-CB 3.48Å; E580-S584 PolarHBondContact OE2-OG 3.48Å; E580-S584 VanDerWaalsContact OE2-OG 3.13Å |
| 581 | Q | 94.8 | Very high | 92.8 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 34% | 0.336 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 178.4 | -168 | 177.3 | -40 | 0 | 0 | 111.3 | Y578 R590 F606 | Y578-Q581 WeakPolarHBondContact O-CA 3.28Å; Y578-Q581 WeakPolarHBondContact O-CB 3.49Å; Y578-Q581 PolarHBondContact O-N 3.18Å; Q581-R590 PolarHBondContact O-NH2 2.95Å; Q581-F606 HydrophobicContact CB-CE1 4.14Å; Q581-F606 HydrophobicContact CB-CZ 4.08Å; Q581-F606 HydrophobicContact CG-CD1 4.18Å; Q581-F606 HydrophobicContact CG-CE1 3.59Å; Q581-F606 HydrophobicContact CG-CE2 4.48Å; Q581-F606 HydrophobicContact CG-CZ 3.75Å |
| 582 | I | 95.5 | Very high | 93 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.015 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69 | -55.5 | 176.7 | -62.2 | 163.5 | 0 | 0 | 0 | 110.8 | N523 H525 V566 Y578 W579 E580 S592 I604 F606 | N523-I582 PolarHBondContact ND2-O 3.31Å; H525-I582 WeakPolarHBondContact CE1-CG2 3.44Å; V566-I582 HydrophobicContact CG2-CD1 4.33Å; Y578-I582 VanDerWaalsContact O-CG1 3.28Å; Y578-I582 WeakPolarHBondContact O-CG1 3.45Å; Y578-I582 PolarHBondContact O-N 2.81Å; W579-I582 PolarHBondContact O-N 2.81Å; E580-I582 VanDerWaalsContact C-N 3.33Å; E580-I582 PolarHBondContact O-N 2.93Å; I582-S592 PolarHBondContact O-OG 2.99Å; I582-I604 HydrophobicContact CD1-CD1 3.98Å; I582-I604 HydrophobicContact CD1-CG1 3.98Å; I582-I604 HydrophobicContact CG1-CD1 4.41Å; I582-I604 HydrophobicContact CG1-CG1 4.4Å; I582-I604 HydrophobicContact CG1-CG2 4.02Å; I582-F606 HydrophobicContact CG1-CE1 4.05Å; I582-F606 HydrophobicContact CG1-CZ 3.75Å |
| 583 | T | 93.9 | Very high | 93.3 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 15% | 0.153 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -103.6 | -16.4 | -161.2 | 66.9 | 0 | 0 | 0 | 0 | 115.3 | W510 G512 W579 | W510-T583 HydrophobicContact CZ3-CG2 4.1Å; G512-T583 WeakPolarHBondContact CA-O 3.36Å; G512-T583 PolarHBondContact N-O 2.84Å; W579-T583 HydrophobicContact CD2-CG2 4.31Å; W579-T583 HydrophobicContact CZ2-CG2 4.2Å; W579-T583 PolarHBondContact NE1-OG1 3.26Å; W579-T583 WeakPolarHBondContact O-CB 3.48Å; W579-T583 PolarHBondContact O-N 3.35Å; W579-T583 PolarHBondContact O-OG1 2.86Å |
| 584 | S | 91.5 | Very high | 93.8 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 26% | 0.259 | 30% | 0.302 | S | S | . | . | trans | -78.8 | 141.6 | 179.6 | -158.9 | 0 | 0 | 0 | 0 | 111 | N523 E580 G586 R590 | N523-S584 WeakPolarHBondContact CB-O 3.25Å; N523-S584 PolarHBondContact ND2-O 3.43Å; E580-S584 WeakPolarHBondContact O-CA 3.18Å; E580-S584 WeakPolarHBondContact O-CB 3.44Å; E580-S584 PolarHBondContact O-N 2.89Å; E580-S584 VanDerWaalsContact OE2-CB 3.28Å; E580-S584 WeakPolarHBondContact OE2-CB 3.48Å; E580-S584 PolarHBondContact OE2-OG 3.48Å; E580-S584 VanDerWaalsContact OE2-OG 3.13Å; S584-G586 VanDerWaalsContact C-N 3.29Å; S584-R590 PolarHBondContact O-NH2 3.15Å | ||
| 585 | S | 90.7 | Very high | 94.1 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -77.9 | -13.4 | 172.3 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | A522 N523 | A522-S585 VanDerWaalsContact CA-O 3.29Å; A522-S585 WeakPolarHBondContact CA-O 3.1Å; N523-S585 PolarHBondContact N-O 2.97Å |
| 586 | G | 86.6 | Confident | 94.1 | Very high | 40 Ų | 40 | 42.9 Ų | 42.9 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | trans | -77.2 | 159.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S584 R590 | S584-G586 VanDerWaalsContact C-N 3.29Å; G586-R590 VanDerWaalsContact O-CZ 3.31Å; G586-R590 PolarHBondContact O-NH1 3.15Å; G586-R590 PolarHBondContact O-NH2 2.78Å | ||
| 587 | G | 84 | Confident | 93.6 | Very high | 80 Ų | 80 | 41.4 Ų | 41.4 | 83% | 0.825 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 112.9 | -1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 588 | G | 92.5 | Very high | 93 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 100.7 | 171.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G521 A522 R590 | G521-G588 CarbonylContact O-C 3.59Å; G521-G588 VanDerWaalsContact O-CA 3.23Å; G521-G588 WeakPolarHBondContact O-CA 3.21Å; A522-G588 CarbonylContact C-O 3.54Å; G588-R590 PolarHBondContact O-N 3.31Å; G588-R590 VanDerWaalsContact O-N 3.16Å; G588-R590 PolarHBondContact O-NH1 3.12Å |
| 589 | E | 95.9 | Very high | 92.2 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 16% | 0.159 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -59.5 | 105.4 | -176.8 | -174.9 | 58.3 | -131.7 | 0 | 0 | 112.1 | G518 D519 D520 G521 A522 Y558 K609 | G518-E589 VanDerWaalsContact C-OE1 3.26Å; G518-E589 WeakPolarHBondContact CA-OE1 3.34Å; G518-E589 VanDerWaalsContact O-CD 3.31Å; D519-E589 WeakPolarHBondContact CA-OE2 3.48Å; D519-E589 PolarHBondContact N-OE2 3.04Å; D520-E589 PolarHBondContact N-OE2 2.88Å; G521-E589 PolarHBondContact N-OE2 3.07Å; A522-E589 WeakPolarHBondContact O-CA 3.33Å; Y558-E589 HydrophobicContact CE1-CG 4.2Å; Y558-E589 WeakPolarHBondContact CE1-OE1 3.35Å; Y558-E589 PolarHBondContact OH-OE1 3.03Å; E589-K609 HydrophobicContact CB-CB 4.42Å; E589-K609 HydrophobicContact CG-CB 3.82Å; E589-K609 HydrophobicContact CG-CD 3.62Å; E589-K609 HydrophobicContact CG-CG 4.37Å; E589-K609 PolarHBondContact O-N 2.93Å |
| 590 | R | 96.9 | Very high | 91.5 | Very high | 18 Ų | 18 | 45.8 Ų | 45.8 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 173.5 | -179.3 | 73.8 | 176.7 | -175.8 | -74.9 | 0.7 | 112.1 | A522 N523 T524 Q581 S584 G586 G588 A607 N608 | A522-R590 PolarHBondContact O-N 3.1Å; A522-R590 VanDerWaalsContact O-N 3.11Å; N523-R590 WeakPolarHBondContact CA-O 3.03Å; N523-R590 HydrophobicContact CB-CG 3.7Å; N523-R590 VanDerWaalsContact CB-CZ 3.47Å; T524-R590 PolarHBondContact N-O 3.23Å; Q581-R590 PolarHBondContact O-NH2 2.95Å; S584-R590 PolarHBondContact O-NH2 3.15Å; G586-R590 VanDerWaalsContact O-CZ 3.31Å; G586-R590 PolarHBondContact O-NH1 3.15Å; G586-R590 PolarHBondContact O-NH2 2.78Å; G588-R590 PolarHBondContact O-N 3.31Å; G588-R590 VanDerWaalsContact O-N 3.16Å; G588-R590 PolarHBondContact O-NH1 3.12Å; R590-A607 CarbonylContact C-O 3.55Å; R590-A607 WeakPolarHBondContact CA-O 3.39Å; R590-A607 WeakPolarHBondContact CB-O 3.44Å; R590-N608 VanDerWaalsContact CB-OD1 3.25Å; R590-N608 WeakPolarHBondContact CB-OD1 3.39Å |
| 591 | I | 98.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.7 | 167.9 | 60.5 | 178.1 | 0 | 0 | 0 | 110.6 | T524 F526 I546 V548 Y558 L593 A607 | T524-I591 WeakPolarHBondContact O-CA 3.4Å; F526-I591 HydrophobicContact CD2-CB 4.37Å; F526-I591 HydrophobicContact CD2-CG2 4.48Å; F526-I591 HydrophobicContact CE2-CB 4.17Å; F526-I591 HydrophobicContact CE2-CG2 3.8Å; I546-I591 HydrophobicContact CB-CD1 4.34Å; I546-I591 HydrophobicContact CG2-CD1 3.87Å; V548-I591 HydrophobicContact CG2-CD1 3.86Å; Y558-I591 HydrophobicContact CD1-CG1 4.24Å; Y558-I591 HydrophobicContact CD1-CG2 4.32Å; Y558-I591 HydrophobicContact CD2-CD1 3.79Å; Y558-I591 HydrophobicContact CD2-CG1 4.22Å; Y558-I591 HydrophobicContact CD2-CG2 4.3Å; Y558-I591 HydrophobicContact CE1-CG2 3.98Å; Y558-I591 HydrophobicContact CE2-CD1 4.35Å; Y558-I591 HydrophobicContact CE2-CG2 3.95Å; Y558-I591 HydrophobicContact CG-CD1 3.97Å; Y558-I591 HydrophobicContact CG-CG1 3.98Å; Y558-I591 HydrophobicContact CG-CG2 4.49Å; I591-L593 HydrophobicContact CD1-CD1 3.86Å; I591-L593 HydrophobicContact CD1-CG 4.49Å; I591-L593 HydrophobicContact CG1-CD1 3.91Å; I591-A607 HydrophobicContact CD1-CB 4.32Å; I591-A607 HydrophobicContact CG1-CB 3.87Å; I591-A607 PolarHBondContact N-O 3.42Å; I591-A607 PolarHBondContact O-N 2.89Å |
| 592 | S | 98 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.5 | 167.3 | 56.5 | 0 | 0 | 0 | 0 | 109.4 | N523 T524 H525 F526 I582 V605 | N523-S592 PolarHBondContact OD1-N 2.96Å; T524-S592 PolarHBondContact O-N 2.96Å; T524-S592 VanDerWaalsContact O-N 3.08Å; H525-S592 CarbonylContact C-O 3.48Å; H525-S592 VanDerWaalsContact CA-O 3.29Å; H525-S592 WeakPolarHBondContact CA-O 3.33Å; H525-S592 WeakPolarHBondContact CA-OG 3.48Å; H525-S592 VanDerWaalsContact CB-OG 3.25Å; H525-S592 WeakPolarHBondContact CB-OG 3.35Å; H525-S592 PolarHBondContact ND1-O 3.07Å; H525-S592 PolarHBondContact ND1-OG 3.13Å; F526-S592 PolarHBondContact N-O 2.98Å; I582-S592 PolarHBondContact O-OG 2.99Å; S592-V605 CarbonylContact C-O 3.55Å; S592-V605 WeakPolarHBondContact CA-O 3.2Å |
| 593 | L | 98.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.7 | 180 | -47.6 | 92.6 | 0 | 0 | 0 | 108.8 | L479 I481 F526 F534 L537 I546 I591 I604 V605 | L479-L593 HydrophobicContact CD2-CD2 3.88Å; I481-L593 HydrophobicContact CD1-CD2 3.77Å; F526-L593 WeakPolarHBondContact O-CA 3.23Å; F534-L593 HydrophobicContact CE1-CD2 4.37Å; F534-L593 HydrophobicContact CE2-CB 4.02Å; F534-L593 HydrophobicContact CZ-CB 4.11Å; F534-L593 HydrophobicContact CZ-CD2 3.87Å; F534-L593 HydrophobicContact CZ-CG 4.44Å; L537-L593 HydrophobicContact CD1-CB 3.81Å; L537-L593 HydrophobicContact CD2-CB 3.87Å; L537-L593 HydrophobicContact CD2-CD2 3.98Å; L537-L593 HydrophobicContact CD2-CG 4.42Å; I546-L593 HydrophobicContact CD1-CD1 3.77Å; I546-L593 HydrophobicContact CD1-CD2 4.17Å; I591-L593 HydrophobicContact CD1-CD1 3.86Å; I591-L593 HydrophobicContact CD1-CG 4.49Å; I591-L593 HydrophobicContact CG1-CD1 3.91Å; L593-I604 WeakPolarHBondContact O-CA 3.36Å; L593-V605 HydrophobicContact CB-CB 4.4Å; L593-V605 HydrophobicContact CD1-CB 4.18Å; L593-V605 HydrophobicContact CD1-CG1 4.17Å; L593-V605 PolarHBondContact N-O 2.92Å; L593-V605 PolarHBondContact O-N 3.33Å |
| 594 | Q | 97.4 | Very high | 91.4 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.4 | -177.8 | 168.4 | 173.8 | -14.3 | 0 | 0 | 112.4 | H525 F526 I527 G528 F534 N602 L603 I604 | H525-Q594 VanDerWaalsContact CE1-CB 3.5Å; H525-Q594 WeakPolarHBondContact CE1-CB 3.37Å; H525-Q594 PolarHBondContact CE1-OE1 2.9Å; H525-Q594 PolarHBondContact NE2-OE1 2.81Å; F526-Q594 PolarHBondContact O-N 3.49Å; I527-Q594 HydrophobicContact CG2-CB 4.32Å; G528-Q594 PolarHBondContact N-O 2.92Å; F534-Q594 VanDerWaalsContact CD2-O 3.3Å; F534-Q594 WeakPolarHBondContact CD2-O 3.45Å; Q594-N602 HydrophobicContact CG-CB 4.11Å; Q594-N602 PolarHBondContact NE2-OD1 3.07Å; Q594-L603 WeakPolarHBondContact CA-O 3.31Å; Q594-I604 HydrophobicContact CB-CD1 3.63Å; Q594-I604 HydrophobicContact CG-CD1 3.64Å |
| 595 | T | 95.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 160.3 | 169.2 | -158.5 | 0 | 0 | 0 | 0 | 111.3 | G528 H529 N530 L537 F538 N602 L603 | G528-T595 WeakPolarHBondContact O-CA 3.29Å; G528-T595 VanDerWaalsContact O-CB 3.32Å; G528-T595 WeakPolarHBondContact O-CB 3.34Å; G528-T595 PolarHBondContact O-OG1 3.18Å; H529-T595 VanDerWaalsContact C-OG1 3.28Å; N530-T595 HydrophobicContact CB-CG2 4.03Å; N530-T595 WeakPolarHBondContact CB-OG1 3.37Å; N530-T595 PolarHBondContact N-OG1 2.81Å; L537-T595 HydrophobicContact CB-CG2 4.4Å; L537-T595 HydrophobicContact CD1-CG2 4.03Å; F538-T595 HydrophobicContact CD2-CG2 4.29Å; F538-T595 HydrophobicContact CE2-CG2 3.6Å; F538-T595 HydrophobicContact CZ-CG2 4.4Å; T595-N602 CarbonylContact O-C 3.56Å; T595-N602 WeakPolarHBondContact O-CA 3.41Å; T595-L603 HydrophobicContact CG2-CB 4.24Å; T595-L603 HydrophobicContact CG2-CD2 4.46Å; T595-L603 PolarHBondContact N-O 2.83Å; T595-L603 VanDerWaalsContact N-O 3.12Å; T595-L603 PolarHBondContact O-N 2.77Å |
| 596 | C | 90.8 | Very high | 92.1 | Very high | 39 Ų | 39 | 35.8 Ų | 35.8 | 26% | 0.264 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 146.6 | -178 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | N530 | N530-C596 WeakPolarHBondContact CB-O 3.49Å; N530-C596 PolarHBondContact ND2-O 3.46Å |
| 597 | I | 84 | Confident | 92.6 | Very high | 21 Ų | 21 | 33.9 Ų | 33.9 | 11% | 0.108 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -35.7 | 164 | -58.6 | 162.9 | 0 | 0 | 0 | 108.9 | F170 F538 T565 Y601 L603 | F170-I597 HydrophobicContact CD2-CG2 4.37Å; F170-I597 HydrophobicContact CE2-CG2 3.68Å; F170-I597 HydrophobicContact CZ-CG2 3.91Å; F538-I597 HydrophobicContact CE1-CG1 4.04Å; F538-I597 HydrophobicContact CZ-CB 4.46Å; F538-I597 HydrophobicContact CZ-CG1 3.79Å; T565-I597 HydrophobicContact CG2-CD1 3.55Å; I597-Y601 PolarHBondContact N-O 2.96Å; I597-L603 HydrophobicContact CD1-CB 4.02Å; I597-L603 HydrophobicContact CG1-CB 3.9Å |
| 598 | N | 83 | Confident | 93.2 | Very high | 59 Ų | 59 | 33.2 Ų | 33.2 | 32% | 0.316 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | -176.1 | 172 | 54.2 | 71.3 | 0 | 0 | 0 | 108.7 | D600 Y601 | N598-D600 PolarHBondContact O-N 2.8Å; N598-D600 PolarHBondContact OD1-N 2.87Å; N598-Y601 PolarHBondContact N-O 2.92Å; N598-Y601 PolarHBondContact O-N 2.82Å; N598-Y601 VanDerWaalsContact O-O 3.09Å; N598-Y601 PolarHBondContact OD1-N 3.37Å |
| 599 | D | 79.2 | Confident | 93 | Very high | 154 Ų | 154 | 38.4 Ų | 38.4 | 82% | 0.824 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -21.8 | -180 | -60.5 | -11 | 0 | 0 | 0 | 115.8 | ||
| 600 | D | 81.7 | Confident | 92.9 | Very high | 110 Ų | 110 | 38.7 Ų | 38.7 | 59% | 0.588 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -15.7 | -176.4 | -64.3 | -58.3 | 0 | 0 | 0 | 113.5 | D567 N598 | D567-D600 WeakPolarHBondContact CA-O 3.49Å; N598-D600 PolarHBondContact O-N 2.8Å; N598-D600 PolarHBondContact OD1-N 2.87Å |
| 601 | Y | 90.1 | Very high | 92.6 | Very high | 99 Ų | 99 | 39.7 Ų | 39.7 | 39% | 0.388 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 143.5 | -167.1 | -71 | -80.1 | 0 | 0 | 0 | 114.1 | T565 V566 D567 I597 N598 | T565-Y601 HydrophobicContact CG2-CD1 3.89Å; T565-Y601 HydrophobicContact CG2-CG 4.37Å; V566-Y601 CarbonylContact O-C 3.49Å; V566-Y601 WeakPolarHBondContact O-CA 3.32Å; D567-Y601 HydrophobicContact CB-CE1 4.48Å; I597-Y601 PolarHBondContact N-O 2.96Å; N598-Y601 PolarHBondContact N-O 2.92Å; N598-Y601 PolarHBondContact O-N 2.82Å; N598-Y601 VanDerWaalsContact O-O 3.09Å; N598-Y601 PolarHBondContact OD1-N 3.37Å |
| 602 | N | 92.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 142 | -177.6 | -66.6 | -93.6 | 0 | 0 | 0 | 111.4 | T565 V566 D568 Q594 T595 I604 | T565-N602 WeakPolarHBondContact CA-O 3.42Å; V566-N602 HydrophobicContact CG2-CB 4.18Å; V566-N602 PolarHBondContact N-O 2.95Å; V566-N602 PolarHBondContact O-N 3.02Å; D568-N602 PolarHBondContact OD1-ND2 2.75Å; Q594-N602 HydrophobicContact CG-CB 4.11Å; Q594-N602 PolarHBondContact NE2-OD1 3.07Å; T595-N602 CarbonylContact O-C 3.56Å; T595-N602 WeakPolarHBondContact O-CA 3.41Å; N602-I604 HydrophobicContact CB-CD1 4.35Å |
| 603 | L | 96 | Very high | 92 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 127.6 | 167.3 | -178.3 | 71.4 | 0 | 0 | 0 | 108.8 | L537 F538 I563 Q594 T595 I597 | L537-L603 HydrophobicContact CB-CD2 3.95Å; F538-L603 HydrophobicContact CD1-CD2 3.99Å; F538-L603 HydrophobicContact CD2-CD2 3.92Å; F538-L603 HydrophobicContact CE1-CD2 4.08Å; F538-L603 HydrophobicContact CE2-CD2 4.02Å; F538-L603 HydrophobicContact CG-CD2 3.91Å; F538-L603 HydrophobicContact CZ-CB 4.25Å; F538-L603 HydrophobicContact CZ-CD2 4.1Å; I563-L603 HydrophobicContact CG2-CD1 3.57Å; I563-L603 HydrophobicContact CG2-CG 4.4Å; Q594-L603 WeakPolarHBondContact CA-O 3.31Å; T595-L603 HydrophobicContact CG2-CB 4.24Å; T595-L603 HydrophobicContact CG2-CD2 4.46Å; T595-L603 PolarHBondContact N-O 2.83Å; T595-L603 VanDerWaalsContact N-O 3.12Å; T595-L603 PolarHBondContact O-N 2.77Å; I597-L603 HydrophobicContact CD1-CB 4.02Å; I597-L603 HydrophobicContact CG1-CB 3.9Å |
| 604 | I | 97.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.2 | 176.1 | -48.5 | -62.7 | 0 | 0 | 0 | 109.6 | I563 V564 V566 I582 L593 Q594 N602 F606 | I563-I604 CarbonylContact C-O 2.99Å; I563-I604 VanDerWaalsContact CA-O 3.31Å; I563-I604 WeakPolarHBondContact CA-O 3.47Å; V564-I604 HydrophobicContact CG2-CB 3.78Å; V564-I604 HydrophobicContact CG2-CG1 4.2Å; V564-I604 HydrophobicContact CG2-CG2 4.44Å; V564-I604 PolarHBondContact N-O 2.84Å; V564-I604 PolarHBondContact O-N 3.28Å; V566-I604 HydrophobicContact CG1-CG1 4.41Å; V566-I604 HydrophobicContact CG2-CD1 3.91Å; V566-I604 HydrophobicContact CG2-CG1 3.55Å; I582-I604 HydrophobicContact CD1-CD1 3.98Å; I582-I604 HydrophobicContact CD1-CG1 3.98Å; I582-I604 HydrophobicContact CG1-CD1 4.41Å; I582-I604 HydrophobicContact CG1-CG1 4.4Å; I582-I604 HydrophobicContact CG1-CG2 4.02Å; L593-I604 WeakPolarHBondContact O-CA 3.36Å; Q594-I604 HydrophobicContact CB-CD1 3.63Å; Q594-I604 HydrophobicContact CG-CD1 3.64Å; N602-I604 HydrophobicContact CB-CD1 4.35Å; I604-F606 HydrophobicContact CB-CE2 4.44Å; I604-F606 HydrophobicContact CG2-CD1 4.32Å; I604-F606 HydrophobicContact CG2-CD2 4.1Å; I604-F606 HydrophobicContact CG2-CE1 3.88Å; I604-F606 HydrophobicContact CG2-CE2 3.66Å; I604-F606 HydrophobicContact CG2-CG 4.43Å; I604-F606 HydrophobicContact CG2-CZ 3.54Å |
| 605 | V | 98.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.2 | 171.7 | -179.1 | 0 | 0 | 0 | 0 | 109 | L537 I546 V560 I563 S592 L593 | L537-V605 HydrophobicContact CB-CG2 4.11Å; L537-V605 HydrophobicContact CD2-CB 4.45Å; L537-V605 HydrophobicContact CD2-CG2 4.1Å; L537-V605 HydrophobicContact CG-CG2 4.48Å; I546-V605 HydrophobicContact CD1-CG1 4.33Å; V560-V605 HydrophobicContact CB-CG1 4.49Å; V560-V605 HydrophobicContact CG1-CG1 3.76Å; V560-V605 HydrophobicContact CG2-CG1 3.89Å; I563-V605 HydrophobicContact CG1-CG1 4.4Å; I563-V605 HydrophobicContact CG1-CG2 4.29Å; I563-V605 HydrophobicContact CG2-CG2 4.42Å; S592-V605 CarbonylContact C-O 3.55Å; S592-V605 WeakPolarHBondContact CA-O 3.2Å; L593-V605 HydrophobicContact CB-CB 4.4Å; L593-V605 HydrophobicContact CD1-CB 4.18Å; L593-V605 HydrophobicContact CD1-CG1 4.17Å; L593-V605 PolarHBondContact N-O 2.92Å; L593-V605 PolarHBondContact O-N 3.33Å |
| 606 | F | 97.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.2 | 174.2 | -64.4 | -73 | 0 | 0 | 0 | 110.6 | S561 Q562 V564 Y578 Q581 I582 I604 | S561-F606 PolarHBondContact N-O 3.47Å; S561-F606 PolarHBondContact OG-O 2.78Å; Q562-F606 HydrophobicContact CB-CB 4.3Å; Q562-F606 HydrophobicContact CB-CD2 4.09Å; Q562-F606 HydrophobicContact CG-CD2 4.3Å; Q562-F606 PolarHBondContact N-O 3.38Å; Q562-F606 PolarHBondContact O-N 3.22Å; V564-F606 HydrophobicContact CG2-CE2 3.85Å; Y578-F606 AromaticContact CD1-CE2 3.96Å; Y578-F606 HydrophobicContact CD1-CE2 3.96Å; Y578-F606 HydrophobicContact CD1-CZ 4.09Å; Y578-F606 HydrophobicContact CE1-CE2 4.41Å; Q581-F606 HydrophobicContact CB-CE1 4.14Å; Q581-F606 HydrophobicContact CB-CZ 4.08Å; Q581-F606 HydrophobicContact CG-CD1 4.18Å; Q581-F606 HydrophobicContact CG-CE1 3.59Å; Q581-F606 HydrophobicContact CG-CE2 4.48Å; Q581-F606 HydrophobicContact CG-CZ 3.75Å; I582-F606 HydrophobicContact CG1-CE1 4.05Å; I582-F606 HydrophobicContact CG1-CZ 3.75Å; I604-F606 HydrophobicContact CB-CE2 4.44Å; I604-F606 HydrophobicContact CG2-CD1 4.32Å; I604-F606 HydrophobicContact CG2-CD2 4.1Å; I604-F606 HydrophobicContact CG2-CE1 3.88Å; I604-F606 HydrophobicContact CG2-CE2 3.66Å; I604-F606 HydrophobicContact CG2-CG 4.43Å; I604-F606 HydrophobicContact CG2-CZ 3.54Å |
| 607 | A | 97.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T559 V560 R590 I591 | T559-A607 CarbonylContact O-C 3.44Å; T559-A607 VanDerWaalsContact O-CA 3.25Å; T559-A607 WeakPolarHBondContact O-CA 3.42Å; V560-A607 HydrophobicContact CG2-CB 4.08Å; R590-A607 CarbonylContact C-O 3.55Å; R590-A607 WeakPolarHBondContact CA-O 3.39Å; R590-A607 WeakPolarHBondContact CB-O 3.44Å; I591-A607 HydrophobicContact CD1-CB 4.32Å; I591-A607 HydrophobicContact CG1-CB 3.87Å; I591-A607 PolarHBondContact N-O 3.42Å; I591-A607 PolarHBondContact O-N 2.89Å |
| 608 | N | 95.3 | Very high | 91.5 | Very high | 66 Ų | 66 | 54.3 Ų | 54.3 | 35% | 0.353 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 152.8 | -177.9 | -54.1 | -45.9 | 0 | 0 | 0 | 110.1 | Y558 T559 S561 R590 | Y558-N608 CarbonylContact C-O 3.56Å; Y558-N608 WeakPolarHBondContact CA-O 3.48Å; T559-N608 PolarHBondContact N-O 3.11Å; T559-N608 PolarHBondContact O-N 2.98Å; S561-N608 VanDerWaalsContact CB-ND2 3.27Å; S561-N608 WeakPolarHBondContact CB-ND2 3.27Å; S561-N608 PolarHBondContact OG-ND2 3.11Å; R590-N608 VanDerWaalsContact CB-OD1 3.25Å; R590-N608 WeakPolarHBondContact CB-OD1 3.39Å |
| 609 | K | 88.9 | Confident | 92.3 | Very high | 143 Ų | 143 | 53.8 Ų | 53.8 | 62% | 0.622 | 26% | 0.262 | S | S | * | . | trans | -78.9 | 0 | -179 | -168.4 | 167.1 | -177.4 | 166.4 | 0 | 114.1 | G518 S556 Y558 E589 | G518-K609 PolarHBondContact O-NZ 3.09Å; S556-K609 PolarHBondContact OG-NZ 3.39Å; Y558-K609 HydrophobicContact CD1-CB 4.01Å; Y558-K609 HydrophobicContact CE1-CB 4.14Å; E589-K609 HydrophobicContact CB-CB 4.42Å; E589-K609 HydrophobicContact CG-CB 3.82Å; E589-K609 HydrophobicContact CG-CD 3.62Å; E589-K609 HydrophobicContact CG-CG 4.37Å; E589-K609 PolarHBondContact O-N 2.93Å |
Retrieved 609 of 609 residues in 1059.7 ms
(Link to these results)