| 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 | 23.4 | Very low | 66.1 | Low | 243 Ų | 243 | 87.1 Ų | 87.1 | 100% | 1.197 | 47% | 0.469 | S | S | * | . | 0 | 126.7 | 0 | -60.4 | 167.1 | 88.2 | 0 | 0 | 107 | |||||
| 2 | S | 27.3 | Very low | 68.1 | Low | 115 Ų | 115 | 82.2 Ų | 82.2 | 80% | 0.804 | 44% | 0.442 | S | S | * | . | trans | -83.7 | 114.1 | 174.7 | 50.5 | 0 | 0 | 0 | 0 | 109.8 | M4 | S2-M4 PolarHBondContact O-N 2.98Š| ||
| 3 | S | 35.1 | Very low | 69.6 | Low | 83 Ų | 83 | 76.8 Ų | 76.8 | 58% | 0.58 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -53 | 133.7 | 150.9 | 44.7 | 0 | 0 | 0 | 0 | 107.9 | N5 | S3-N5 PolarHBondContact O-N 3.25Š|
| 4 | M | 44.2 | Very low | 71.1 | Confident | 123 Ų | 123 | 71.3 Ų | 71.3 | 61% | 0.606 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -63 | 127.7 | 166.6 | -45.7 | 179.5 | 174.8 | 0 | 0 | 106.9 | S2 T637 | S2-M4 PolarHBondContact O-N 2.98Å; M4-T637 HydrophobicContact CB-CG2 3.59Å; M4-T637 HydrophobicContact CG-CG2 3.98Å; M4-T637 WeakPolarHBondContact O-CG2 3.47Å; M4-T637 PolarHBondContact O-OG1 2.82Å |
| 5 | N | 69.6 | Low | 72.4 | Confident | 141 Ų | 141 | 66.5 Ų | 66.5 | 75% | 0.754 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 151.8 | 173.3 | -69.8 | -4.6 | 0 | 0 | 0 | 109.5 | S3 N7 | S3-N5 PolarHBondContact O-N 3.25Å; N5-N7 PolarHBondContact O-N 2.96Å |
| 6 | F | 84.4 | Confident | 73.4 | Confident | 33 Ų | 33 | 63.3 Ų | 63.3 | 15% | 0.145 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 137 | 169.9 | 171.1 | -96.2 | 0 | 0 | 0 | 110.4 | W8 Y11 T569 L629 P631 P632 Y635 | F6-W8 HydrophobicContact CE1-CB 4.46Å; F6-W8 AromaticContact CE1-CD1 3.83Å; F6-W8 AromaticContact CE1-CD2 3.54Å; F6-W8 HydrophobicContact CE1-CD2 3.54Å; F6-W8 AromaticContact CE1-CE2 3.74Å; F6-W8 HydrophobicContact CE1-CE3 4.07Å; F6-W8 AromaticContact CE1-CG 3.68Å; F6-W8 HydrophobicContact CE1-CG 3.68Å; F6-W8 HydrophobicContact CE1-CZ2 4.44Å; F6-W8 AromaticContact CE1-NE1 3.85Å; F6-W8 AromaticContact CZ-CD2 3.89Å; F6-W8 HydrophobicContact CZ-CD2 3.89Å; F6-W8 AromaticContact CZ-CE3 3.91Å; F6-W8 HydrophobicContact CZ-CE3 3.91Å; F6-W8 HydrophobicContact CZ-CG 4.31Å; F6-W8 HydrophobicContact CZ-CZ3 4.4Å; F6-Y11 AromaticContact CE2-CD2 3.74Å; F6-Y11 HydrophobicContact CE2-CD2 3.74Å; F6-Y11 AromaticContact CE2-CG 3.81Å; F6-Y11 HydrophobicContact CE2-CG 3.81Å; F6-Y11 HydrophobicContact CZ-CD1 4.32Å; F6-Y11 HydrophobicContact CZ-CD2 4.17Å; F6-Y11 AromaticContact CZ-CG 3.82Å; F6-Y11 HydrophobicContact CZ-CG 3.82Å; F6-T569 HydrophobicContact CE1-CG2 4.25Å; F6-T569 HydrophobicContact CZ-CG2 4.24Å; F6-L629 HydrophobicContact CD1-CD2 3.62Å; F6-L629 HydrophobicContact CE1-CD2 3.85Å; F6-P631 HydrophobicContact CB-CB 4.18Å; F6-P631 HydrophobicContact CD2-CB 4.31Å; F6-P631 HydrophobicContact CG-CB 4.47Å; F6-P632 VanDerWaalsContact CD2-CD 3.44Å; F6-P632 HydrophobicContact CD2-CG 4.31Å; F6-P632 HydrophobicContact CE2-CG 3.58Å; F6-P632 HydrophobicContact CZ-CG 3.97Å; F6-Y635 AromaticContact CD2-CD1 3.63Å; F6-Y635 HydrophobicContact CD2-CD1 3.63Å; F6-Y635 HydrophobicContact CD2-CE1 4.23Å; F6-Y635 HydrophobicContact CD2-CG 4.31Å; F6-Y635 AromaticContact CE2-CD1 3.83Å; F6-Y635 HydrophobicContact CE2-CD1 3.83Å; F6-Y635 HydrophobicContact CE2-CE1 4.22Å; F6-Y635 HydrophobicContact CE2-CG 4.28Å |
| 7 | N | 87.8 | Confident | 74.3 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | trans | -127.4 | 119 | -179.5 | -178.2 | -84.4 | 0 | 0 | 0 | 110.3 | N5 H9 V10 Y11 | N5-N7 PolarHBondContact O-N 2.96Å; N7-H9 VanDerWaalsContact C-N 3.34Å; N7-H9 PolarHBondContact O-N 3.38Å; N7-H9 WeakPolarHBondContact OD1-CB 3.43Å; N7-H9 PolarHBondContact OD1-N 2.94Å; N7-V10 HydrophobicContact CB-CG2 4.32Å; N7-V10 PolarHBondContact O-N 2.87Å; N7-V10 PolarHBondContact OD1-N 3.24Å; N7-Y11 PolarHBondContact O-N 3.29Å; N7-Y11 VanDerWaalsContact O-N 3.07Å | ||
| 8 | W | 89.8 | Confident | 75.2 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 3% | 0.034 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.3 | -36.5 | -178 | -86.5 | 117.5 | 0 | 0 | 0 | 113.7 | F6 Y11 L12 K545 E547 T569 V619 | F6-W8 HydrophobicContact CE1-CB 4.46Å; F6-W8 AromaticContact CE1-CD1 3.83Å; F6-W8 AromaticContact CE1-CD2 3.54Å; F6-W8 HydrophobicContact CE1-CD2 3.54Å; F6-W8 AromaticContact CE1-CE2 3.74Å; F6-W8 HydrophobicContact CE1-CE3 4.07Å; F6-W8 AromaticContact CE1-CG 3.68Å; F6-W8 HydrophobicContact CE1-CG 3.68Å; F6-W8 HydrophobicContact CE1-CZ2 4.44Å; F6-W8 AromaticContact CE1-NE1 3.85Å; F6-W8 AromaticContact CZ-CD2 3.89Å; F6-W8 HydrophobicContact CZ-CD2 3.89Å; F6-W8 AromaticContact CZ-CE3 3.91Å; F6-W8 HydrophobicContact CZ-CE3 3.91Å; F6-W8 HydrophobicContact CZ-CG 4.31Å; F6-W8 HydrophobicContact CZ-CZ3 4.4Å; W8-Y11 AromaticContact CE3-CD1 3.96Å; W8-Y11 HydrophobicContact CE3-CD1 3.96Å; W8-Y11 AromaticContact CZ3-CD1 3.89Å; W8-Y11 HydrophobicContact CZ3-CD1 3.89Å; W8-Y11 HydrophobicContact CZ3-CE1 4.17Å; W8-Y11 PolarHBondContact O-N 3.39Å; W8-L12 HydrophobicContact CB-CD1 4.46Å; W8-L12 HydrophobicContact CE3-CD1 4.29Å; W8-L12 HydrophobicContact CE3-CD2 4.3Å; W8-L12 HydrophobicContact CE3-CG 4.12Å; W8-L12 HydrophobicContact CZ3-CD2 4.36Å; W8-L12 WeakPolarHBondContact O-CB 3.09Å; W8-L12 WeakPolarHBondContact O-CD1 3.48Å; W8-L12 WeakPolarHBondContact O-CG 3.2Å; W8-L12 PolarHBondContact O-N 3.45Å; W8-K545 HydrophobicContact CH2-CB 4.07Å; W8-K545 HydrophobicContact CH2-CD 4.31Å; W8-K545 HydrophobicContact CZ3-CB 3.97Å; W8-K545 HydrophobicContact CZ3-CD 4.2Å; W8-K545 HydrophobicContact CZ3-CG 4.23Å; W8-E547 HydrophobicContact CZ2-CG 3.68Å; W8-E547 PolarHBondContact NE1-OE1 2.87Å; W8-T569 HydrophobicContact CH2-CG2 3.45Å; W8-T569 VanDerWaalsContact CH2-CG2 3.45Å; W8-T569 HydrophobicContact CZ2-CG2 3.36Å; W8-T569 HydrophobicContact CZ3-CG2 4.28Å; W8-V619 HydrophobicContact CB-CG1 3.93Å; W8-V619 HydrophobicContact CD2-CB 4.4Å; W8-V619 HydrophobicContact CD2-CG1 3.38Å; W8-V619 HydrophobicContact CD2-CG2 4.44Å; W8-V619 HydrophobicContact CE3-CG1 3.74Å; W8-V619 HydrophobicContact CE3-CG2 4.36Å; W8-V619 HydrophobicContact CG-CG1 3.51Å; W8-V619 HydrophobicContact CH2-CG1 4.5Å; W8-V619 HydrophobicContact CH2-CG2 3.79Å; W8-V619 HydrophobicContact CZ2-CB 4.41Å; W8-V619 HydrophobicContact CZ2-CG1 4.21Å; W8-V619 HydrophobicContact CZ2-CG2 3.88Å; W8-V619 HydrophobicContact CZ3-CG1 4.29Å; W8-V619 HydrophobicContact CZ3-CG2 4.06Å |
| 9 | H | 87.8 | Confident | 76.1 | Confident | 132 Ų | 132 | 63.4 Ų | 63.4 | 61% | 0.611 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.1 | -43.2 | -179 | -179.8 | 78.5 | 0 | 0 | 0 | 111.7 | N7 S13 | N7-H9 VanDerWaalsContact C-N 3.34Å; N7-H9 PolarHBondContact O-N 3.38Å; N7-H9 WeakPolarHBondContact OD1-CB 3.43Å; N7-H9 PolarHBondContact OD1-N 2.94Å; H9-S13 VanDerWaalsContact O-CB 3.28Å; H9-S13 WeakPolarHBondContact O-CB 3.18Å; H9-S13 PolarHBondContact O-N 3.11Å; H9-S13 PolarHBondContact O-OG 2.62Å |
| 10 | V | 87.4 | Confident | 77 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 17% | 0.17 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 173.6 | -172.8 | 0 | 0 | 0 | 0 | 110.6 | N7 S13 E14 Y635 I686 | N7-V10 HydrophobicContact CB-CG2 4.32Å; N7-V10 PolarHBondContact O-N 2.87Å; N7-V10 PolarHBondContact OD1-N 3.24Å; V10-S13 PolarHBondContact O-OG 3.19Å; V10-E14 HydrophobicContact CG1-CG 4.41Å; V10-E14 WeakPolarHBondContact O-CB 3.35Å; V10-E14 WeakPolarHBondContact O-CG 3.48Å; V10-E14 PolarHBondContact O-N 3.07Å; V10-Y635 WeakPolarHBondContact CG1-OH 3.38Å; V10-I686 HydrophobicContact CG1-CD1 4.1Å; V10-I686 HydrophobicContact CG2-CD1 4.36Å |
| 11 | Y | 90.1 | Very high | 77.6 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.5 | -50.4 | 177.7 | -177.5 | -95.9 | 0 | 0 | 0 | 112.8 | F6 N7 W8 E14 T15 K545 P632 Y635 E841 | F6-Y11 AromaticContact CE2-CD2 3.74Å; F6-Y11 HydrophobicContact CE2-CD2 3.74Å; F6-Y11 AromaticContact CE2-CG 3.81Å; F6-Y11 HydrophobicContact CE2-CG 3.81Å; F6-Y11 HydrophobicContact CZ-CD1 4.32Å; F6-Y11 HydrophobicContact CZ-CD2 4.17Å; F6-Y11 AromaticContact CZ-CG 3.82Å; F6-Y11 HydrophobicContact CZ-CG 3.82Å; N7-Y11 PolarHBondContact O-N 3.29Å; N7-Y11 VanDerWaalsContact O-N 3.07Å; W8-Y11 AromaticContact CE3-CD1 3.96Å; W8-Y11 HydrophobicContact CE3-CD1 3.96Å; W8-Y11 AromaticContact CZ3-CD1 3.89Å; W8-Y11 HydrophobicContact CZ3-CD1 3.89Å; W8-Y11 HydrophobicContact CZ3-CE1 4.17Å; W8-Y11 PolarHBondContact O-N 3.39Å; Y11-E14 PolarHBondContact O-N 3.17Å; Y11-T15 HydrophobicContact CD1-CG2 4.48Å; Y11-T15 HydrophobicContact CD2-CG2 4.18Å; Y11-T15 HydrophobicContact CE1-CG2 4.22Å; Y11-T15 HydrophobicContact CE2-CG2 3.9Å; Y11-T15 HydrophobicContact CG-CG2 4.47Å; Y11-T15 VanDerWaalsContact O-CB 3.3Å; Y11-T15 WeakPolarHBondContact O-CB 3.07Å; Y11-T15 VanDerWaalsContact O-CG2 3.24Å; Y11-T15 WeakPolarHBondContact O-CG2 3.37Å; Y11-T15 PolarHBondContact O-N 2.57Å; Y11-T15 PolarHBondContact O-OG1 3.31Å; Y11-K545 HydrophobicContact CE1-CD 4.11Å; Y11-K545 PolarHBondContact OH-NZ 3.39Å; Y11-P632 HydrophobicContact CD2-CG 4.03Å; Y11-P632 HydrophobicContact CE2-CB 3.87Å; Y11-P632 HydrophobicContact CE2-CG 3.6Å; Y11-Y635 WeakPolarHBondContact CA-OH 3.43Å; Y11-Y635 HydrophobicContact CD2-CD1 4.38Å; Y11-Y635 AromaticContact CD2-CD2 3.62Å; Y11-Y635 HydrophobicContact CD2-CD2 3.62Å; Y11-Y635 HydrophobicContact CD2-CE1 4.29Å; Y11-Y635 AromaticContact CD2-CE2 3.56Å; Y11-Y635 HydrophobicContact CD2-CE2 3.56Å; Y11-Y635 HydrophobicContact CD2-CG 4.05Å; Y11-Y635 AromaticContact CD2-CZ 3.91Å; Y11-Y635 AromaticContact CE2-CD2 4Å; Y11-Y635 HydrophobicContact CE2-CD2 4Å; Y11-Y635 HydrophobicContact CE2-CE2 4.24Å; Y11-Y635 PolarHBondContact N-OH 3.23Å; Y11-E841 WeakPolarHBondContact OH-CG 3.35Å; Y11-E841 PolarHBondContact OH-OE2 3.26Å |
| 12 | L | 90.2 | Very high | 80.8 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.9 | -37 | -177.4 | -65 | 164 | 0 | 0 | 0 | 112.3 | W8 E14 G16 A17 I19 K545 V619 | W8-L12 HydrophobicContact CB-CD1 4.46Å; W8-L12 HydrophobicContact CE3-CD1 4.29Å; W8-L12 HydrophobicContact CE3-CD2 4.3Å; W8-L12 HydrophobicContact CE3-CG 4.12Å; W8-L12 HydrophobicContact CZ3-CD2 4.36Å; W8-L12 WeakPolarHBondContact O-CB 3.09Å; W8-L12 WeakPolarHBondContact O-CD1 3.48Å; W8-L12 WeakPolarHBondContact O-CG 3.2Å; W8-L12 PolarHBondContact O-N 3.45Å; L12-E14 VanDerWaalsContact C-N 3.35Å; L12-G16 WeakPolarHBondContact O-CA 3.46Å; L12-G16 PolarHBondContact O-N 3.11Å; L12-A17 HydrophobicContact CD2-CB 4.16Å; L12-I19 HydrophobicContact CD1-CG2 3.4Å; L12-I19 HydrophobicContact CD2-CG2 4.02Å; L12-I19 HydrophobicContact CG-CG2 4.37Å; L12-K545 HydrophobicContact CD2-CG 4.45Å; L12-V619 HydrophobicContact CD1-CG1 4.17Å |
| 13 | S | 88.5 | Confident | 83.7 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.7 | -24.4 | 177.5 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | H9 V10 M810 | H9-S13 VanDerWaalsContact O-CB 3.28Å; H9-S13 WeakPolarHBondContact O-CB 3.18Å; H9-S13 PolarHBondContact O-N 3.11Å; H9-S13 PolarHBondContact O-OG 2.62Å; V10-S13 PolarHBondContact O-OG 3.19Å; S13-M810 WeakPolarHBondContact O-CG 3.19Å |
| 14 | E | 89.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -84.9 | -36.9 | 172.2 | -72.7 | -179.3 | 166 | 0 | 0 | 113.3 | V10 Y11 L12 Y635 A809 M810 C833 R835 R837 A838 | V10-E14 HydrophobicContact CG1-CG 4.41Å; V10-E14 WeakPolarHBondContact O-CB 3.35Å; V10-E14 WeakPolarHBondContact O-CG 3.48Å; V10-E14 PolarHBondContact O-N 3.07Å; Y11-E14 PolarHBondContact O-N 3.17Å; L12-E14 VanDerWaalsContact C-N 3.35Å; E14-Y635 PolarHBondContact OE2-OH 2.98Å; E14-A809 HydrophobicContact CB-CB 4.34Å; E14-A809 HydrophobicContact CG-CB 3.52Å; E14-M810 WeakPolarHBondContact O-CE 3.23Å; E14-C833 WeakPolarHBondContact O-CB 3.38Å; E14-R835 HydrophobicContact CG-CG 3.94Å; E14-R835 IonicContact OE1-NE 3.67Å; E14-R835 PolarHBondContact OE1-NE 2.82Å; E14-R837 VanDerWaalsContact CD-NH2 3.31Å; E14-R837 IonicContact OE1-CZ 2.8Å; E14-R837 IonicContact OE1-NE 2.72Å; E14-R837 IonicContact OE1-NH2 3.94Å; E14-R837 PolarHBondContact OE1-NH2 3.24Å; E14-R837 IonicContact OE2-CZ 3.44Å; E14-R837 IonicContact OE2-NE 3.54Å; E14-R837 PolarHBondContact OE2-NE 3.47Å; E14-R837 IonicContact OE2-NH2 3.55Å; E14-R837 PolarHBondContact OE2-NH2 2.86Å; E14-R837 VanDerWaalsContact OE2-NH2 3.15Å; E14-A838 HydrophobicContact CB-CB 4.08Å; E14-A838 WeakPolarHBondContact O-CB 3.28Å |
| 15 | T | 90.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -93.7 | -24.2 | -172 | 59.4 | 0 | 0 | 0 | 0 | 114.7 | Y11 A17 M810 A838 E841 Y842 | Y11-T15 HydrophobicContact CD1-CG2 4.48Å; Y11-T15 HydrophobicContact CD2-CG2 4.18Å; Y11-T15 HydrophobicContact CE1-CG2 4.22Å; Y11-T15 HydrophobicContact CE2-CG2 3.9Å; Y11-T15 HydrophobicContact CG-CG2 4.47Å; Y11-T15 VanDerWaalsContact O-CB 3.3Å; Y11-T15 WeakPolarHBondContact O-CB 3.07Å; Y11-T15 VanDerWaalsContact O-CG2 3.24Å; Y11-T15 WeakPolarHBondContact O-CG2 3.37Å; Y11-T15 PolarHBondContact O-N 2.57Å; Y11-T15 PolarHBondContact O-OG1 3.31Å; T15-A17 PolarHBondContact O-N 3.23Å; T15-M810 WeakPolarHBondContact O-CE 3.28Å; T15-A838 HydrophobicContact CG2-CB 3.85Å; T15-E841 HydrophobicContact CG2-CB 3.76Å; T15-E841 HydrophobicContact CG2-CG 3.66Å; T15-Y842 WeakPolarHBondContact O-CD2 3.37Å |
| 16 | G | 88.3 | Confident | 89.7 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | trans | 72.7 | 10.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L12 R807 M810 | L12-G16 WeakPolarHBondContact O-CA 3.46Å; L12-G16 PolarHBondContact O-N 3.11Å; G16-R807 PolarHBondContact O-NH2 3.44Å; G16-M810 VanDerWaalsContact CA-CE 3.48Å; G16-M810 VanDerWaalsContact N-CE 3.31Å | ||
| 17 | A | 89.9 | Confident | 90 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 151.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L12 T15 K545 Q845 | L12-A17 HydrophobicContact CD2-CB 4.16Å; T15-A17 PolarHBondContact O-N 3.23Å; A17-K545 HydrophobicContact CB-CG 3.72Å; A17-Q845 HydrophobicContact CB-CG 4.36Å |
| 18 | E | 89.4 | Confident | 90.3 | Very high | 105 Ų | 105 | 33.5 Ų | 33.5 | 49% | 0.491 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -96.8 | 154.5 | 173.6 | -66.5 | -179.5 | 176.9 | 0 | 0 | 110.2 | M544 K545 | E18-M544 CarbonylContact O-C 3.59Å; E18-M544 WeakPolarHBondContact O-CA 3.39Å; E18-K545 PolarHBondContact O-N 3.13Å |
| 19 | I | 92.9 | Very high | 90.3 | Very high | 82 Ų | 82 | 34.9 Ų | 34.9 | 42% | 0.421 | 19% | 0.188 | S | C | . | . | B | Isolated β-bridge | trans | -87.2 | 151.7 | 174.3 | 66.5 | 175.6 | 0 | 0 | 0 | 111 | L12 P21 V619 | L12-I19 HydrophobicContact CD1-CG2 3.4Å; L12-I19 HydrophobicContact CD2-CG2 4.02Å; L12-I19 HydrophobicContact CG-CG2 4.37Å; I19-P21 WeakPolarHBondContact O-CD 3.21Å; I19-V619 HydrophobicContact CB-CB 4.1Å; I19-V619 HydrophobicContact CB-CG2 4.03Å; I19-V619 HydrophobicContact CG2-CB 3.81Å; I19-V619 HydrophobicContact CG2-CG1 3.78Å; I19-V619 HydrophobicContact CG2-CG2 3.86Å |
| 20 | S | 93.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -72.2 | 121 | 163 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | K545 | S20-K545 VanDerWaalsContact CB-O 3.31Å; S20-K545 WeakPolarHBondContact CB-O 3.37Å; S20-K545 PolarHBondContact N-O 3.05Å; S20-K545 PolarHBondContact OG-O 2.82Å |
| 21 | P | 90.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 28.2 Ų | 28.2 | 25% | 0.253 | 16% | 0.156 | S | C | . | . | P | Polyproline II helix | trans | -58.2 | 146.1 | 179.3 | -30 | 38.6 | 0 | 0 | 0 | 114 | I19 N23 L24 F25 M544 | I19-P21 WeakPolarHBondContact O-CD 3.21Å; P21-N23 VanDerWaalsContact C-N 3.29Å; P21-N23 WeakPolarHBondContact CB-OD1 3.2Å; P21-N23 PolarHBondContact O-N 3.17Å; P21-L24 HydrophobicContact CB-CG 4.31Å; P21-L24 VanDerWaalsContact O-CB 3.31Å; P21-L24 WeakPolarHBondContact O-CB 3.2Å; P21-L24 WeakPolarHBondContact O-CG 3.21Å; P21-L24 PolarHBondContact O-N 2.82Å; P21-F25 WeakPolarHBondContact O-CD2 3.47Å; P21-F25 WeakPolarHBondContact O-CE2 3.31Å; P21-M544 HydrophobicContact CG-CE 4.14Å |
| 22 | F | 89.1 | Confident | 90.5 | Very high | 94 Ų | 94 | 29.5 Ų | 29.5 | 41% | 0.412 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -59.9 | -33.9 | -173.3 | -176.9 | -93.2 | 0 | 0 | 0 | 113.9 | L24 F25 V28 A29 F32 P618 | F22-L24 PolarHBondContact O-N 3.33Å; F22-F25 PolarHBondContact O-N 2.88Å; F22-V28 HydrophobicContact CE2-CG1 3.7Å; F22-V28 HydrophobicContact CZ-CG1 4.01Å; F22-A29 HydrophobicContact CD1-CB 4.3Å; F22-A29 HydrophobicContact CE1-CB 3.78Å; F22-F32 HydrophobicContact CZ-CB 4.04Å; F22-F32 HydrophobicContact CZ-CD1 4.41Å; F22-F32 HydrophobicContact CZ-CD2 4.38Å; F22-F32 HydrophobicContact CZ-CG 4.04Å; F22-P618 HydrophobicContact CD2-CB 4.12Å; F22-P618 HydrophobicContact CD2-CG 3.61Å; F22-P618 HydrophobicContact CE2-CG 4.05Å |
| 23 | N | 88.5 | Confident | 90.4 | Very high | 68 Ų | 68 | 31 Ų | 31 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -63.4 | -15.8 | 174.8 | 58 | -55.8 | 0 | 0 | 0 | 114 | P21 F25 S537 N538 | P21-N23 VanDerWaalsContact C-N 3.29Å; P21-N23 WeakPolarHBondContact CB-OD1 3.2Å; P21-N23 PolarHBondContact O-N 3.17Å; N23-F25 PolarHBondContact O-N 3.01Å; N23-S537 PolarHBondContact ND2-O 2.86Å; N23-N538 PolarHBondContact ND2-OD1 3.34Å |
| 24 | L | 91.2 | Very high | 90.5 | Very high | 12 Ų | 12 | 32.1 Ų | 32.1 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -75.7 | -3.3 | 175.1 | -54.7 | -170.4 | 0 | 0 | 0 | 113.6 | P21 F22 P26 R539 F540 M544 | P21-L24 HydrophobicContact CB-CG 4.31Å; P21-L24 VanDerWaalsContact O-CB 3.31Å; P21-L24 WeakPolarHBondContact O-CB 3.2Å; P21-L24 WeakPolarHBondContact O-CG 3.21Å; P21-L24 PolarHBondContact O-N 2.82Å; F22-L24 PolarHBondContact O-N 3.33Å; L24-P26 WeakPolarHBondContact O-CD 3.4Å; L24-R539 VanDerWaalsContact CD2-N 3.33Å; L24-F540 HydrophobicContact CB-CD2 4.42Å; L24-F540 HydrophobicContact CB-CE1 4.08Å; L24-F540 HydrophobicContact CB-CE2 3.79Å; L24-F540 HydrophobicContact CB-CZ 3.62Å; L24-F540 HydrophobicContact CD1-CB 4.33Å; L24-F540 HydrophobicContact CD1-CD1 3.61Å; L24-F540 HydrophobicContact CD1-CD2 4Å; L24-F540 HydrophobicContact CD1-CE1 3.81Å; L24-F540 HydrophobicContact CD1-CE2 4.16Å; L24-F540 HydrophobicContact CD1-CG 3.73Å; L24-F540 HydrophobicContact CD1-CZ 4.08Å; L24-M544 HydrophobicContact CD1-SD 4.44Å |
| 25 | F | 93.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | trans | -123.7 | 75.3 | -176 | -52.2 | -89.5 | 0 | 0 | 0 | 110.9 | P21 F22 N23 H27 V28 A29 F540 L546 L616 Y617 P618 | P21-F25 WeakPolarHBondContact O-CD2 3.47Å; P21-F25 WeakPolarHBondContact O-CE2 3.31Å; F22-F25 PolarHBondContact O-N 2.88Å; N23-F25 PolarHBondContact O-N 3.01Å; F25-H27 VanDerWaalsContact C-N 3.31Å; F25-H27 PolarHBondContact O-N 2.74Å; F25-V28 HydrophobicContact CB-CB 3.93Å; F25-V28 HydrophobicContact CB-CG2 3.84Å; F25-V28 WeakPolarHBondContact O-CA 3.27Å; F25-V28 WeakPolarHBondContact O-CB 3.47Å; F25-V28 PolarHBondContact O-N 2.75Å; F25-A29 PolarHBondContact O-N 3.36Å; F25-F540 HydrophobicContact CD1-CZ 4.46Å; F25-F540 HydrophobicContact CE1-CE1 4.12Å; F25-F540 AromaticContact CE1-CZ 3.9Å; F25-F540 HydrophobicContact CE1-CZ 3.9Å; F25-F540 HydrophobicContact CE2-CE1 4.43Å; F25-F540 AromaticContact CZ-CE1 3.77Å; F25-F540 HydrophobicContact CZ-CE1 3.77Å; F25-F540 AromaticContact CZ-CZ 3.93Å; F25-F540 HydrophobicContact CZ-CZ 3.93Å; F25-L546 HydrophobicContact CE1-CB 4.35Å; F25-L546 HydrophobicContact CE1-CD2 4.34Å; F25-L546 HydrophobicContact CZ-CB 3.9Å; F25-L546 HydrophobicContact CZ-CD2 4.29Å; F25-L616 HydrophobicContact CD1-CB 4.06Å; F25-L616 WeakPolarHBondContact CD1-O 3.38Å; F25-L616 HydrophobicContact CE1-CB 3.91Å; F25-Y617 VanDerWaalsContact CE1-C 3.43Å; F25-Y617 WeakPolarHBondContact CE1-O 3.4Å; F25-Y617 WeakPolarHBondContact CZ-O 3.46Å; F25-P618 HydrophobicContact CD2-CB 3.69Å; F25-P618 HydrophobicContact CD2-CG 4.07Å; F25-P618 HydrophobicContact CE2-CB 3.68Å; F25-P618 HydrophobicContact CE2-CG 4.49Å; F25-P618 HydrophobicContact CG-CB 4.48Å; F25-P618 HydrophobicContact CG-CG 4.46Å; F25-P618 HydrophobicContact CZ-CB 4.45Å | ||
| 26 | P | 89.4 | Confident | 90.6 | Very high | 52 Ų | 52 | 32.8 Ų | 32.8 | 34% | 0.338 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -56.5 | -39 | -169.7 | -28.2 | 35.6 | 0 | 0 | 0 | 114.5 | L24 V28 A29 Q30 | L24-P26 WeakPolarHBondContact O-CD 3.4Å; P26-V28 VanDerWaalsContact C-N 3.3Å; P26-V28 PolarHBondContact O-N 3.03Å; P26-A29 PolarHBondContact O-N 2.91Å; P26-Q30 WeakPolarHBondContact O-CB 3.41Å; P26-Q30 PolarHBondContact O-N 3.25Å |
| 27 | H | 91.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.056 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.9 | -31.7 | 177.1 | 68.8 | -85.6 | 0 | 0 | 0 | 112.6 | F25 S31 F234 L236 S613 T614 L616 Y617 | F25-H27 VanDerWaalsContact C-N 3.31Å; F25-H27 PolarHBondContact O-N 2.74Å; H27-S31 VanDerWaalsContact O-CB 3.3Å; H27-S31 WeakPolarHBondContact O-CB 3.36Å; H27-S31 PolarHBondContact O-N 3.32Å; H27-S31 VanDerWaalsContact O-N 3.11Å; H27-S31 PolarHBondContact O-OG 3.34Å; H27-F234 HydrophobicContact CB-CD1 4.19Å; H27-F234 HydrophobicContact CB-CE1 4.15Å; H27-F234 AromaticContact CD2-CD1 3.67Å; H27-F234 AromaticContact CD2-CE1 3.73Å; H27-F234 AromaticContact CD2-CG 3.85Å; H27-F234 AromaticContact CD2-CZ 3.95Å; H27-F234 WeakPolarHBondContact O-CE1 3.34Å; H27-L236 HydrophobicContact CB-CB 4.35Å; H27-L236 HydrophobicContact CB-CD1 4.26Å; H27-L236 WeakPolarHBondContact O-CD1 3.26Å; H27-S613 PolarHBondContact CE1-O 3.46Å; H27-S613 VanDerWaalsContact CE1-O 3.31Å; H27-T614 HydrophobicContact CB-CG2 4.26Å; H27-L616 PolarHBondContact CE1-O 2.9Å; H27-L616 PolarHBondContact NE2-O 3.02Å; H27-Y617 AromaticContact NE2-CD1 3.94Å; H27-Y617 AromaticContact NE2-CE1 3.48Å; H27-Y617 WeakPolarHBondContact NE2-CE1 3.49Å |
| 28 | V | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.8 | -48.9 | 173.1 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | F22 F25 P26 Q30 S31 F32 Y617 P618 W621 | F22-V28 HydrophobicContact CE2-CG1 3.7Å; F22-V28 HydrophobicContact CZ-CG1 4.01Å; F25-V28 HydrophobicContact CB-CB 3.93Å; F25-V28 HydrophobicContact CB-CG2 3.84Å; F25-V28 WeakPolarHBondContact O-CA 3.27Å; F25-V28 WeakPolarHBondContact O-CB 3.47Å; F25-V28 PolarHBondContact O-N 2.75Å; P26-V28 VanDerWaalsContact C-N 3.3Å; P26-V28 PolarHBondContact O-N 3.03Å; V28-Q30 VanDerWaalsContact C-N 3.31Å; V28-Q30 PolarHBondContact O-N 3.21Å; V28-S31 WeakPolarHBondContact CA-OG 3.04Å; V28-S31 PolarHBondContact O-N 2.78Å; V28-S31 PolarHBondContact O-OG 3.39Å; V28-F32 HydrophobicContact CG1-CD2 3.97Å; V28-F32 HydrophobicContact CG1-CE2 3.95Å; V28-F32 WeakPolarHBondContact O-CD2 3.28Å; V28-F32 PolarHBondContact O-N 3.29Å; V28-Y617 HydrophobicContact CG2-CD1 3.64Å; V28-Y617 HydrophobicContact CG2-CE1 4.2Å; V28-P618 HydrophobicContact CG1-CG 3.98Å; V28-W621 VanDerWaalsContact CG1-CD1 3.46Å |
| 29 | A | 90.4 | Very high | 91.1 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 31% | 0.314 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.7 | -43.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F22 F25 P26 F32 E33 | F22-A29 HydrophobicContact CD1-CB 4.3Å; F22-A29 HydrophobicContact CE1-CB 3.78Å; F25-A29 PolarHBondContact O-N 3.36Å; P26-A29 PolarHBondContact O-N 2.91Å; A29-F32 PolarHBondContact O-N 2.99Å; A29-E33 PolarHBondContact O-N 3.31Å |
| 30 | Q | 87.8 | Confident | 91.3 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.3 | -37.1 | 174.9 | -169.6 | -179.5 | 10 | 0 | 0 | 112.5 | P26 V28 F32 E33 L236 S294 I295 H299 | P26-Q30 WeakPolarHBondContact O-CB 3.41Å; P26-Q30 PolarHBondContact O-N 3.25Å; V28-Q30 VanDerWaalsContact C-N 3.31Å; V28-Q30 PolarHBondContact O-N 3.21Å; Q30-F32 VanDerWaalsContact C-N 3.26Å; Q30-F32 PolarHBondContact O-N 3.26Å; Q30-E33 VanDerWaalsContact O-CB 3.3Å; Q30-E33 WeakPolarHBondContact O-CB 3.36Å; Q30-E33 PolarHBondContact O-N 3.11Å; Q30-L236 HydrophobicContact CB-CD1 3.85Å; Q30-L236 HydrophobicContact CG-CD1 3.99Å; Q30-S294 PolarHBondContact NE2-O 3.25Å; Q30-S294 VanDerWaalsContact NE2-O 3.16Å; Q30-I295 PolarHBondContact NE2-O 3.04Å; Q30-H299 PolarHBondContact OE1-ND1 2.88Å |
| 31 | S | 90.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67 | -27.6 | 177.6 | 71.8 | 0 | 0 | 0 | 0 | 114.2 | H27 V28 E33 T174 F175 Y235 | H27-S31 VanDerWaalsContact O-CB 3.3Å; H27-S31 WeakPolarHBondContact O-CB 3.36Å; H27-S31 PolarHBondContact O-N 3.32Å; H27-S31 VanDerWaalsContact O-N 3.11Å; H27-S31 PolarHBondContact O-OG 3.34Å; V28-S31 WeakPolarHBondContact CA-OG 3.04Å; V28-S31 PolarHBondContact O-N 2.78Å; V28-S31 PolarHBondContact O-OG 3.39Å; S31-E33 VanDerWaalsContact C-N 3.34Å; S31-T174 PolarHBondContact O-N 3.4Å; S31-F175 WeakPolarHBondContact O-CD1 3.42Å; S31-F175 PolarHBondContact O-N 2.71Å; S31-Y235 WeakPolarHBondContact CA-OH 3.44Å |
| 32 | F | 90.8 | Very high | 91.7 | Very high | 35 Ų | 35 | 36.3 Ų | 36.3 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 7.5 | 173 | -79.8 | -116.9 | 0 | 0 | 0 | 112.5 | F22 V28 A29 Q30 T34 Y173 F175 W621 F624 V625 | F22-F32 HydrophobicContact CZ-CB 4.04Å; F22-F32 HydrophobicContact CZ-CD1 4.41Å; F22-F32 HydrophobicContact CZ-CD2 4.38Å; F22-F32 HydrophobicContact CZ-CG 4.04Å; V28-F32 HydrophobicContact CG1-CD2 3.97Å; V28-F32 HydrophobicContact CG1-CE2 3.95Å; V28-F32 WeakPolarHBondContact O-CD2 3.28Å; V28-F32 PolarHBondContact O-N 3.29Å; A29-F32 PolarHBondContact O-N 2.99Å; Q30-F32 VanDerWaalsContact C-N 3.26Å; Q30-F32 PolarHBondContact O-N 3.26Å; F32-T34 PolarHBondContact O-N 3.16Å; F32-Y173 HydrophobicContact CB-CD1 4.29Å; F32-Y173 HydrophobicContact CB-CE1 4.44Å; F32-Y173 HydrophobicContact CD1-CD1 4.4Å; F32-Y173 HydrophobicContact CD1-CE1 4.08Å; F32-Y173 WeakPolarHBondContact O-CD1 3.34Å; F32-F175 HydrophobicContact CD2-CD1 4.44Å; F32-F175 HydrophobicContact CD2-CE1 4.37Å; F32-F175 HydrophobicContact CE2-CD1 4.48Å; F32-F175 HydrophobicContact CE2-CE1 4.16Å; F32-F175 HydrophobicContact CZ-CE1 4.39Å; F32-W621 AromaticContact CE2-CD1 3.81Å; F32-W621 AromaticContact CE2-NE1 3.71Å; F32-F624 HydrophobicContact CD1-CE1 4.36Å; F32-F624 AromaticContact CE1-CD1 3.5Å; F32-F624 HydrophobicContact CE1-CD1 3.5Å; F32-F624 VanDerWaalsContact CE1-CD1 3.5Å; F32-F624 AromaticContact CE1-CE1 3.4Å; F32-F624 HydrophobicContact CE1-CE1 3.4Å; F32-F624 VanDerWaalsContact CE1-CE1 3.4Å; F32-F624 HydrophobicContact CE1-CG 4.17Å; F32-F624 HydrophobicContact CE1-CZ 4Å; F32-F624 AromaticContact CZ-CD1 3.57Å; F32-F624 HydrophobicContact CZ-CD1 3.57Å; F32-F624 AromaticContact CZ-CE1 3.87Å; F32-F624 HydrophobicContact CZ-CE1 3.87Å; F32-F624 HydrophobicContact CZ-CG 4.33Å; F32-V625 HydrophobicContact CE2-CG1 4.43Å; F32-V625 HydrophobicContact CZ-CG1 4.07Å |
| 33 | E | 88.4 | Confident | 92 | Very high | 61 Ų | 61 | 31.8 Ų | 31.8 | 29% | 0.285 | 17% | 0.166 | S | C | . | . | trans | -60.1 | 128 | 166.1 | -170.5 | -178.4 | 170.4 | 0 | 0 | 108.7 | A29 Q30 S31 K37 T174 | A29-E33 PolarHBondContact O-N 3.31Å; Q30-E33 VanDerWaalsContact O-CB 3.3Å; Q30-E33 WeakPolarHBondContact O-CB 3.36Å; Q30-E33 PolarHBondContact O-N 3.11Å; S31-E33 VanDerWaalsContact C-N 3.34Å; E33-K37 IonicContact OE1-NZ 3.61Å; E33-K37 PolarHBondContact OE1-NZ 2.94Å; E33-T174 PolarHBondContact O-N 2.91Å; E33-T174 PolarHBondContact O-OG1 3.45Å | ||
| 34 | T | 91 | Very high | 92.3 | Very high | 34 Ų | 34 | 28.6 Ų | 28.6 | 21% | 0.209 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -86.7 | 137 | -175.5 | 52.4 | 0 | 0 | 0 | 0 | 111.4 | F32 V36 V69 L172 Y173 | F32-T34 PolarHBondContact O-N 3.16Å; T34-V36 WeakPolarHBondContact CB-O 3.06Å; T34-V36 PolarHBondContact O-N 3.42Å; T34-V36 PolarHBondContact OG1-O 3.02Å; T34-V69 HydrophobicContact CG2-CG1 4.11Å; T34-L172 CarbonylContact C-O 3.52Å; T34-L172 VanDerWaalsContact CA-O 3.32Å; T34-L172 WeakPolarHBondContact CA-O 3.16Å; T34-L172 HydrophobicContact CG2-CD1 4.19Å; T34-L172 HydrophobicContact CG2-CG 4.18Å; T34-Y173 HydrophobicContact CG2-CD1 3.82Å; T34-Y173 HydrophobicContact CG2-CE1 3.62Å |
| 35 | L | 89.3 | Confident | 92.3 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -69.9 | -11.6 | 171.7 | -56 | 179.4 | 0 | 0 | 0 | 113.2 | T165 C171 L172 T177 | L35-T165 HydrophobicContact CD1-CG2 4.37Å; L35-C171 HydrophobicContact CD1-CB 4.21Å; L35-C171 WeakPolarHBondContact CD1-SG 3.44Å; L35-L172 PolarHBondContact N-O 2.75Å; L35-T177 HydrophobicContact CD1-CG2 3.66Å; L35-T177 HydrophobicContact CD2-CG2 4.03Å; L35-T177 HydrophobicContact CG-CG2 4.38Å |
| 36 | V | 91.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -110.2 | 129.9 | 173.7 | -172.1 | 0 | 0 | 0 | 0 | 108 | T34 E40 V66 I74 V162 F166 L172 | T34-V36 WeakPolarHBondContact CB-O 3.06Å; T34-V36 PolarHBondContact O-N 3.42Å; T34-V36 PolarHBondContact OG1-O 3.02Å; V36-E40 WeakPolarHBondContact CA-OE2 3.38Å; V36-V66 HydrophobicContact CG1-CB 4.33Å; V36-V66 HydrophobicContact CG1-CG1 4.01Å; V36-V66 HydrophobicContact CG1-CG2 3.6Å; V36-I74 HydrophobicContact CG1-CD1 4.39Å; V36-I74 HydrophobicContact CG2-CD1 4.28Å; V36-V162 HydrophobicContact CG1-CG1 4.48Å; V36-V162 HydrophobicContact CG1-CG2 3.95Å; V36-V162 HydrophobicContact CG2-CG1 3.88Å; V36-F166 HydrophobicContact CG2-CD1 4.43Å; V36-F166 HydrophobicContact CG2-CD2 3.28Å; V36-F166 HydrophobicContact CG2-CE1 4.49Å; V36-F166 HydrophobicContact CG2-CE2 3.38Å; V36-F166 HydrophobicContact CG2-CG 3.87Å; V36-F166 HydrophobicContact CG2-CZ 4Å; V36-L172 HydrophobicContact CB-CD1 4.07Å; V36-L172 HydrophobicContact CG2-CD1 3.78Å |
| 37 | K | 91.9 | Very high | 91.1 | Very high | 87 Ų | 87 | 30.9 Ų | 30.9 | 38% | 0.378 | 16% | 0.156 | S | C | . | . | trans | -119.2 | 153.8 | -178.2 | -53.8 | -167.4 | 174.4 | -164.8 | 0 | 111.7 | E33 G39 E40 | E33-K37 IonicContact OE1-NZ 3.61Å; E33-K37 PolarHBondContact OE1-NZ 2.94Å; K37-G39 PolarHBondContact O-N 3.09Å; K37-E40 HydrophobicContact CB-CG 4.15Å; K37-E40 WeakPolarHBondContact CB-OE1 3.32Å; K37-E40 VanDerWaalsContact N-CD 3.29Å; K37-E40 PolarHBondContact N-OE2 2.92Å; K37-E40 VanDerWaalsContact O-CB 3.31Å; K37-E40 WeakPolarHBondContact O-CB 3.27Å; K37-E40 WeakPolarHBondContact O-CG 3.33Å; K37-E40 PolarHBondContact O-N 3.12Å; K37-E40 VanDerWaalsContact O-N 3.09Å | ||
| 38 | K | 93.7 | Very high | 89.9 | Confident | 172 Ų | 172 | 31.6 Ų | 31.6 | 75% | 0.748 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 131.9 | 179.4 | 180 | -179.9 | 179.5 | -173.8 | 0 | 110 | E40 V66 V67 | K38-E40 VanDerWaalsContact C-N 3.33Å; K38-V66 WeakPolarHBondContact CA-O 3.26Å; K38-V67 WeakPolarHBondContact CD-O 3.46Å; K38-V67 WeakPolarHBondContact CE-O 3.08Å; K38-V67 WeakPolarHBondContact CG-O 3.38Å |
| 39 | G | 93.9 | Very high | 88.6 | Confident | 20 Ų | 20 | 34.1 Ų | 34.1 | 21% | 0.206 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 1.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K37 V66 R160 | K37-G39 PolarHBondContact O-N 3.09Å; G39-V66 PolarHBondContact N-O 3.49Å; G39-R160 PolarHBondContact O-NH1 3.18Å |
| 40 | E | 95.9 | Very high | 87.3 | Confident | 40 Ų | 40 | 34.5 Ų | 34.5 | 19% | 0.187 | 18% | 0.178 | C | C | . | . | trans | -76.6 | 162.6 | 162.7 | -65.4 | 176.4 | 175 | 0 | 0 | 110.7 | V36 K37 K38 E65 V66 R160 V162 | V36-E40 WeakPolarHBondContact CA-OE2 3.38Å; K37-E40 HydrophobicContact CB-CG 4.15Å; K37-E40 WeakPolarHBondContact CB-OE1 3.32Å; K37-E40 VanDerWaalsContact N-CD 3.29Å; K37-E40 PolarHBondContact N-OE2 2.92Å; K37-E40 VanDerWaalsContact O-CB 3.31Å; K37-E40 WeakPolarHBondContact O-CB 3.27Å; K37-E40 WeakPolarHBondContact O-CG 3.33Å; K37-E40 PolarHBondContact O-N 3.12Å; K37-E40 VanDerWaalsContact O-N 3.09Å; K38-E40 VanDerWaalsContact C-N 3.33Å; E40-E65 WeakPolarHBondContact O-CA 3.47Å; E40-V66 WeakPolarHBondContact O-CG2 3.32Å; E40-V66 PolarHBondContact O-N 3.41Å; E40-R160 CarbonylContact C-O 3.58Å; E40-R160 VanDerWaalsContact CA-O 3.26Å; E40-R160 WeakPolarHBondContact CA-O 3.24Å; E40-V162 HydrophobicContact CB-CG2 3.74Å | ||
| 41 | T | 97 | Very high | 85.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 152.6 | -170.1 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | A64 E65 M122 L157 R160 S161 V162 | T41-A64 VanDerWaalsContact CA-O 3.23Å; T41-A64 WeakPolarHBondContact CA-O 3.49Å; T41-A64 WeakPolarHBondContact CB-O 3.08Å; T41-E65 HydrophobicContact CG2-CB 4.18Å; T41-E65 HydrophobicContact CG2-CG 4.31Å; T41-M122 WeakPolarHBondContact O-CG 3.45Å; T41-M122 WeakPolarHBondContact OG1-CG 3.08Å; T41-L157 HydrophobicContact CG2-CD2 3.87Å; T41-L157 PolarHBondContact OG1-O 2.98Å; T41-R160 HydrophobicContact CG2-CB 4.49Å; T41-R160 PolarHBondContact N-O 2.86Å; T41-R160 PolarHBondContact OG1-O 3.34Å; T41-S161 WeakPolarHBondContact O-CA 3.13Å; T41-V162 PolarHBondContact O-N 3.19Å |
| 42 | L | 96.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 159.8 | -179.3 | 60.3 | 114.9 | 0 | 0 | 0 | 110.6 | V44 P63 A64 V66 L76 V119 V162 F167 | L42-V44 HydrophobicContact CD1-CG2 3.49Å; L42-V44 VanDerWaalsContact CD1-CG2 3.49Å; L42-V44 HydrophobicContact CG-CG2 4.35Å; L42-P63 WeakPolarHBondContact O-CA 3.44Å; L42-A64 PolarHBondContact N-O 3.05Å; L42-A64 PolarHBondContact O-N 2.86Å; L42-V66 HydrophobicContact CD2-CG2 4.02Å; L42-L76 HydrophobicContact CD1-CD1 4.29Å; L42-L76 HydrophobicContact CD2-CD2 4.02Å; L42-V119 HydrophobicContact CD1-CB 3.79Å; L42-V119 HydrophobicContact CD1-CG1 3.74Å; L42-V162 HydrophobicContact CB-CG2 4.4Å; L42-V162 HydrophobicContact CD2-CG2 3.87Å; L42-F167 HydrophobicContact CB-CZ 3.92Å |
| 43 | E | 95 | Very high | 81.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 129 | 176.2 | -70 | 174 | 178.2 | 0 | 0 | 109.9 | W61 V119 Q120 M122 G123 C125 W132 | E43-W61 HydrophobicContact CB-CE3 4.26Å; E43-V119 WeakPolarHBondContact O-CA 3.27Å; E43-Q120 HydrophobicContact CB-CG 3.72Å; E43-Q120 PolarHBondContact N-O 3.48Å; E43-Q120 PolarHBondContact O-N 3.34Å; E43-Q120 PolarHBondContact OE2-NE2 2.75Å; E43-M122 HydrophobicContact CG-SD 3.95Å; E43-G123 WeakPolarHBondContact OE1-CA 3.32Å; E43-G123 PolarHBondContact OE1-N 2.91Å; E43-C125 WeakPolarHBondContact OE2-CB 3.35Å; E43-C125 PolarHBondContact OE2-N 3.19Å; E43-C125 PolarHBondContact OE2-SG 3.15Å; E43-W132 PolarHBondContact OE1-NE1 2.83Å |
| 44 | V | 94.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140.2 | -178.1 | -174.8 | 0 | 0 | 0 | 0 | 110.1 | L42 F49 W61 W62 A64 L76 W78 F107 F118 V119 | L42-V44 HydrophobicContact CD1-CG2 3.49Å; L42-V44 VanDerWaalsContact CD1-CG2 3.49Å; L42-V44 HydrophobicContact CG-CG2 4.35Å; V44-F49 HydrophobicContact CG1-CD2 3.71Å; V44-F49 HydrophobicContact CG1-CE2 3.37Å; V44-F49 HydrophobicContact CG1-CZ 4.27Å; V44-W61 WeakPolarHBondContact O-CA 3.38Å; V44-W62 PolarHBondContact N-O 3.2Å; V44-W62 PolarHBondContact O-N 3.3Å; V44-A64 HydrophobicContact CB-CB 4.45Å; V44-A64 HydrophobicContact CG2-CB 3.62Å; V44-L76 HydrophobicContact CG2-CD1 3.89Å; V44-W78 HydrophobicContact CB-CH2 3.94Å; V44-W78 HydrophobicContact CB-CZ3 3.77Å; V44-W78 HydrophobicContact CG1-CH2 3.85Å; V44-W78 HydrophobicContact CG1-CZ3 4.21Å; V44-F107 HydrophobicContact CB-CZ 4.39Å; V44-F107 HydrophobicContact CG1-CE2 3.95Å; V44-F107 HydrophobicContact CG1-CZ 3.94Å; V44-F107 HydrophobicContact CG2-CZ 4.28Å; V44-F118 CarbonylContact C-O 3.56Å; V44-F118 WeakPolarHBondContact CA-O 3.47Å; V44-V119 HydrophobicContact CG2-CG1 4.3Å |
| 45 | N | 91.6 | Very high | 76.6 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 121.9 | 174 | -173.4 | -27 | 0 | 0 | 0 | 111.1 | Q47 G48 F49 N59 S60 W61 F118 | N45-Q47 PolarHBondContact O-N 3.4Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.38Å; N45-Q47 PolarHBondContact OD1-N 2.83Å; N45-G48 PolarHBondContact O-N 3.04Å; N45-F49 WeakPolarHBondContact O-CD2 3.44Å; N45-N59 PolarHBondContact ND2-OD1 2.85Å; N45-S60 CarbonylContact C-O 3.58Å; N45-S60 VanDerWaalsContact CA-O 3.27Å; N45-S60 WeakPolarHBondContact CA-O 3.47Å; N45-S60 PolarHBondContact OD1-O 2.8Å; N45-W61 HydrophobicContact CB-CD2 3.84Å; N45-W61 HydrophobicContact CB-CE3 3.84Å; N45-W61 HydrophobicContact CB-CH2 3.85Å; N45-W61 HydrophobicContact CB-CZ2 3.83Å; N45-W61 HydrophobicContact CB-CZ3 3.84Å; N45-F118 HydrophobicContact CB-CB 3.94Å; N45-F118 HydrophobicContact CB-CD1 3.91Å; N45-F118 HydrophobicContact CB-CG 4.39Å; N45-F118 PolarHBondContact N-O 3.14Å |
| 46 | S | 81 | Confident | 74.6 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -61.2 | -28 | -176.4 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | G48 F49 S50 S60 | S46-G48 VanDerWaalsContact C-N 3.26Å; S46-G48 PolarHBondContact O-N 3.33Å; S46-F49 PolarHBondContact O-N 2.68Å; S46-S50 PolarHBondContact O-N 3.41Å; S46-S60 PolarHBondContact N-O 3.15Å; S46-S60 VanDerWaalsContact OG-CB 3.24Å; S46-S60 WeakPolarHBondContact OG-CB 3.39Å; S46-S60 PolarHBondContact OG-O 3.2Å; S46-S60 PolarHBondContact OG-OG 2.98Å |
| 47 | Q | 75.7 | Confident | 72.6 | Confident | 96 Ų | 96 | 69.5 Ų | 69.5 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -64.9 | -29.5 | 179.9 | -167.5 | 179.3 | 16.1 | 0 | 0 | 112.7 | N45 F49 | N45-Q47 PolarHBondContact O-N 3.4Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.38Å; N45-Q47 PolarHBondContact OD1-N 2.83Å; Q47-F49 VanDerWaalsContact C-N 3.26Å; Q47-F49 PolarHBondContact O-N 3.29Å |
| 48 | G | 67.3 | Low | 70.9 | Confident | 27 Ų | 27 | 73.6 Ų | 73.6 | 28% | 0.278 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -70.6 | -18.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | N45 S46 | N45-G48 PolarHBondContact O-N 3.04Å; S46-G48 VanDerWaalsContact C-N 3.26Å; S46-G48 PolarHBondContact O-N 3.33Å |
| 49 | F | 66.9 | Low | 69.5 | Low | 54 Ų | 54 | 70.1 Ų | 70.1 | 24% | 0.237 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -127.1 | 7.5 | -168 | -56.1 | -85.5 | 0 | 0 | 0 | 113.4 | V44 N45 S46 Q47 F107 F109 F118 | V44-F49 HydrophobicContact CG1-CD2 3.71Å; V44-F49 HydrophobicContact CG1-CE2 3.37Å; V44-F49 HydrophobicContact CG1-CZ 4.27Å; N45-F49 WeakPolarHBondContact O-CD2 3.44Å; S46-F49 PolarHBondContact O-N 2.68Å; Q47-F49 VanDerWaalsContact C-N 3.26Å; Q47-F49 PolarHBondContact O-N 3.29Å; F49-F107 HydrophobicContact CB-CD2 4.16Å; F49-F107 AromaticContact CD1-CD2 3.61Å; F49-F107 HydrophobicContact CD1-CD2 3.61Å; F49-F107 AromaticContact CD1-CE2 3.97Å; F49-F107 HydrophobicContact CD1-CE2 3.97Å; F49-F107 HydrophobicContact CD2-CD2 4.36Å; F49-F107 AromaticContact CD2-CE2 4Å; F49-F107 HydrophobicContact CD2-CE2 4Å; F49-F107 HydrophobicContact CE1-CD2 4.1Å; F49-F107 HydrophobicContact CE1-CE2 4.18Å; F49-F107 HydrophobicContact CE2-CE2 4.24Å; F49-F107 AromaticContact CG-CD2 3.76Å; F49-F107 HydrophobicContact CG-CD2 3.76Å; F49-F107 AromaticContact CG-CE2 3.87Å; F49-F107 HydrophobicContact CG-CE2 3.87Å; F49-F107 HydrophobicContact CZ-CE2 4.32Å; F49-F109 HydrophobicContact CE1-CB 4.11Å; F49-F109 HydrophobicContact CE1-CD2 4.07Å; F49-F109 HydrophobicContact CZ-CB 4.3Å; F49-F109 AromaticContact CZ-CD2 3.75Å; F49-F109 HydrophobicContact CZ-CD2 3.75Å; F49-F109 HydrophobicContact CZ-CG 4.36Å; F49-F118 HydrophobicContact CE2-CB 3.96Å |
| 50 | S | 63.1 | Low | 68.9 | Low | 45 Ų | 45 | 69.7 Ų | 69.7 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | trans | -94.6 | 131 | 170.7 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | S46 Q52 | S46-S50 PolarHBondContact O-N 3.41Å; S50-Q52 PolarHBondContact O-N 2.82Å; S50-Q52 PolarHBondContact OG-N 3.47Å | ||
| 51 | E | 52.9 | Low | 68.6 | Low | 193 Ų | 193 | 69.2 Ų | 69.2 | 90% | 0.902 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -70 | -15.4 | 176.9 | -60.1 | -166.7 | 139.6 | 0 | 0 | 113 | K53 | E51-K53 VanDerWaalsContact C-N 3.33Å; E51-K53 PolarHBondContact O-N 2.91Å |
| 52 | Q | 48.1 | Very low | 68.4 | Low | 148 Ų | 148 | 69.2 Ų | 69.2 | 69% | 0.692 | 38% | 0.384 | S | S | * | . | trans | -78.7 | 73 | -175.8 | -66 | -167.3 | -1 | 0 | 0 | 113.4 | S50 G54 | S50-Q52 PolarHBondContact O-N 2.82Å; S50-Q52 PolarHBondContact OG-N 3.47Å; Q52-G54 VanDerWaalsContact C-N 3.28Å; Q52-G54 PolarHBondContact O-N 2.9Å | ||
| 53 | K | 42.1 | Very low | 68.3 | Low | 212 Ų | 212 | 69.2 Ų | 69.2 | 92% | 0.922 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 79.9 | 165.7 | -67.3 | -178.6 | 179 | 177.7 | 0 | 111.2 | E51 | E51-K53 VanDerWaalsContact C-N 3.33Å; E51-K53 PolarHBondContact O-N 2.91Å |
| 54 | G | 42.3 | Very low | 68.3 | Low | 79 Ų | 79 | 69.2 Ų | 69.2 | 81% | 0.814 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -171.3 | -21.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q52 | Q52-G54 VanDerWaalsContact C-N 3.28Å; Q52-G54 PolarHBondContact O-N 2.9Å |
| 55 | A | 38.7 | Very low | 68.3 | Low | 61 Ų | 61 | 71.8 Ų | 71.8 | 50% | 0.504 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -105.1 | 146.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I57 | A55-I57 HydrophobicContact CB-CD1 4.21Å; A55-I57 HydrophobicContact CB-CG1 3.9Å; A55-I57 PolarHBondContact O-N 3.08Å |
| 56 | S | 46.4 | Very low | 68.6 | Low | 128 Ų | 128 | 71.7 Ų | 71.7 | 90% | 0.895 | 40% | 0.396 | S | S | * | . | trans | -77.6 | 59.7 | 175.7 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 57 | I | 50.5 | Low | 69.2 | Low | 80 Ų | 80 | 73.2 Ų | 73.2 | 41% | 0.41 | 40% | 0.404 | S | S | . | . | trans | -70.3 | 131.9 | 179.7 | -61 | 169.8 | 0 | 0 | 0 | 108.6 | A55 | A55-I57 HydrophobicContact CB-CD1 4.21Å; A55-I57 HydrophobicContact CB-CG1 3.9Å; A55-I57 PolarHBondContact O-N 3.08Å | ||
| 58 | Q | 54.7 | Low | 70.1 | Confident | 172 Ų | 172 | 72.9 Ų | 72.9 | 80% | 0.804 | 41% | 0.405 | S | S | * | . | trans | -64.1 | 147.5 | 175.4 | -75.4 | -178.3 | -35.2 | 0 | 0 | 110.9 | S60 | Q58-S60 VanDerWaalsContact C-N 3.32Å; Q58-S60 WeakPolarHBondContact O-CB 3.47Å; Q58-S60 PolarHBondContact O-N 2.95Å | ||
| 59 | N | 64.8 | Low | 71.3 | Confident | 99 Ų | 99 | 73.4 Ų | 73.4 | 53% | 0.529 | 40% | 0.403 | S | S | . | . | trans | -62.8 | 82.5 | -174.1 | -162.6 | 51.4 | 0 | 0 | 0 | 111.8 | N45 W61 | N45-N59 PolarHBondContact ND2-OD1 2.85Å; N59-W61 PolarHBondContact ND2-NE1 3.23Å | ||
| 60 | S | 81 | Confident | 72.4 | Confident | 12 Ų | 12 | 73.9 Ų | 73.9 | 8% | 0.084 | 41% | 0.413 | C | S | . | . | trans | -94.4 | 117.9 | -163.6 | 136.2 | 0 | 0 | 0 | 0 | 111.5 | N45 S46 Q58 T133 | N45-S60 CarbonylContact C-O 3.58Å; N45-S60 VanDerWaalsContact CA-O 3.27Å; N45-S60 WeakPolarHBondContact CA-O 3.47Å; N45-S60 PolarHBondContact OD1-O 2.8Å; S46-S60 PolarHBondContact N-O 3.15Å; S46-S60 VanDerWaalsContact OG-CB 3.24Å; S46-S60 WeakPolarHBondContact OG-CB 3.39Å; S46-S60 PolarHBondContact OG-O 3.2Å; S46-S60 PolarHBondContact OG-OG 2.98Å; Q58-S60 VanDerWaalsContact C-N 3.32Å; Q58-S60 WeakPolarHBondContact O-CB 3.47Å; Q58-S60 PolarHBondContact O-N 2.95Å; S60-T133 VanDerWaalsContact CA-OG1 3.28Å; S60-T133 WeakPolarHBondContact CA-OG1 3.32Å; S60-T133 WeakPolarHBondContact CB-OG1 3.33Å; S60-T133 PolarHBondContact OG-O 3.2Å | ||
| 61 | W | 90.4 | Very high | 73.6 | Confident | 29 Ų | 29 | 73 Ų | 73 | 11% | 0.11 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134 | 179.8 | -67.7 | 85.9 | 0 | 0 | 0 | 110.9 | E43 V44 N45 N59 F118 Q120 C125 W132 T133 | E43-W61 HydrophobicContact CB-CE3 4.26Å; V44-W61 WeakPolarHBondContact O-CA 3.38Å; N45-W61 HydrophobicContact CB-CD2 3.84Å; N45-W61 HydrophobicContact CB-CE3 3.84Å; N45-W61 HydrophobicContact CB-CH2 3.85Å; N45-W61 HydrophobicContact CB-CZ2 3.83Å; N45-W61 HydrophobicContact CB-CZ3 3.84Å; N59-W61 PolarHBondContact ND2-NE1 3.23Å; W61-F118 WeakPolarHBondContact CZ3-O 3.47Å; W61-Q120 HydrophobicContact CE3-CG 3.9Å; W61-Q120 HydrophobicContact CH2-CG 4.14Å; W61-Q120 HydrophobicContact CZ3-CB 4.23Å; W61-Q120 HydrophobicContact CZ3-CG 3.56Å; W61-C125 WeakPolarHBondContact CB-SG 3.29Å; W61-W132 CarbonylContact O-C 3.53Å; W61-W132 VanDerWaalsContact O-CA 3.26Å; W61-W132 WeakPolarHBondContact O-CA 3.37Å; W61-T133 PolarHBondContact O-N 3.08Å |
| 62 | W | 92.2 | Very high | 75.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 146.5 | 178.1 | -165.3 | -98.9 | 0 | 0 | 0 | 110.9 | V44 W78 C79 W132 P134 I138 L141 W148 W153 | V44-W62 PolarHBondContact N-O 3.2Å; V44-W62 PolarHBondContact O-N 3.3Å; W62-W78 HydrophobicContact CB-CE3 4.18Å; W62-W78 HydrophobicContact CB-CZ3 3.97Å; W62-W78 AromaticContact CD1-CE3 3.91Å; W62-W78 HydrophobicContact CG-CE3 4.44Å; W62-C79 PolarHBondContact NE1-O 3.07Å; W62-W132 HydrophobicContact CE3-CB 3.71Å; W62-W132 HydrophobicContact CZ3-CB 3.84Å; W62-P134 HydrophobicContact CD2-CB 4.07Å; W62-P134 HydrophobicContact CE3-CB 3.87Å; W62-P134 HydrophobicContact CH2-CB 4.28Å; W62-P134 HydrophobicContact CZ2-CB 4.46Å; W62-P134 HydrophobicContact CZ3-CB 3.99Å; W62-P134 HydrophobicContact CZ3-CG 4.28Å; W62-I138 HydrophobicContact CG-CD1 4.5Å; W62-L141 HydrophobicContact CH2-CD1 4.49Å; W62-L141 HydrophobicContact CZ2-CD1 3.88Å; W62-W148 AromaticContact CH2-CD1 3.69Å; W62-W148 HydrophobicContact CH2-CG 4.03Å; W62-W153 HydrophobicContact CZ2-CH2 4.05Å |
| 63 | P | 94.4 | Very high | 77.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 141.1 | 174.9 | 24.3 | -34.7 | 0 | 0 | 0 | 113.3 | L42 C79 M122 W132 W153 L157 | L42-P63 WeakPolarHBondContact O-CA 3.44Å; P63-C79 HydrophobicContact CB-CB 4.1Å; P63-C79 HydrophobicContact CG-CB 4.1Å; P63-C79 WeakPolarHBondContact O-CB 3.28Å; P63-C79 PolarHBondContact O-N 2.98Å; P63-M122 HydrophobicContact CB-CE 4.08Å; P63-M122 HydrophobicContact CB-SD 4.05Å; P63-W132 HydrophobicContact CG-CD2 4.38Å; P63-W132 HydrophobicContact CG-CE3 4.1Å; P63-W132 HydrophobicContact CG-CH2 4.21Å; P63-W132 HydrophobicContact CG-CZ2 4.48Å; P63-W132 HydrophobicContact CG-CZ3 4.02Å; P63-W153 HydrophobicContact CG-CH2 3.93Å; P63-W153 HydrophobicContact CG-CZ3 4.4Å; P63-L157 HydrophobicContact CB-CD1 3.83Å; P63-L157 HydrophobicContact CG-CD1 3.82Å |
| 64 | A | 95.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 152.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T41 L42 V44 L76 K77 W78 F107 | T41-A64 VanDerWaalsContact CA-O 3.23Å; T41-A64 WeakPolarHBondContact CA-O 3.49Å; T41-A64 WeakPolarHBondContact CB-O 3.08Å; L42-A64 PolarHBondContact N-O 3.05Å; L42-A64 PolarHBondContact O-N 2.86Å; V44-A64 HydrophobicContact CB-CB 4.45Å; V44-A64 HydrophobicContact CG2-CB 3.62Å; A64-L76 HydrophobicContact CB-CB 4.26Å; A64-K77 CarbonylContact C-O 3.35Å; A64-K77 WeakPolarHBondContact CA-O 3.29Å; A64-K77 WeakPolarHBondContact CB-O 2.88Å; A64-W78 HydrophobicContact CB-CE3 4.18Å; A64-F107 HydrophobicContact CB-CZ 4.27Å |
| 65 | E | 95.8 | Very high | 82.7 | Confident | 55 Ų | 55 | 48.4 Ų | 48.4 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.4 | -177.5 | -179.4 | 171.4 | -141 | 0 | 0 | 111 | E40 T41 V67 L76 K77 R160 | E40-E65 WeakPolarHBondContact O-CA 3.47Å; T41-E65 HydrophobicContact CG2-CB 4.18Å; T41-E65 HydrophobicContact CG2-CG 4.31Å; E65-V67 PolarHBondContact O-N 3.27Å; E65-L76 CarbonylContact O-C 3.28Å; E65-L76 WeakPolarHBondContact O-CA 3.35Å; E65-K77 PolarHBondContact N-O 2.96Å; E65-K77 PolarHBondContact O-N 3.37Å; E65-R160 IonicContact OE1-CZ 3.26Å; E65-R160 IonicContact OE1-NH1 3.03Å; E65-R160 PolarHBondContact OE1-NH1 3.33Å; E65-R160 IonicContact OE1-NH2 3.38Å |
| 66 | V | 96.6 | Very high | 85.4 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 111.9 | -179.6 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | V36 K38 G39 E40 L42 V69 I74 L76 V162 | V36-V66 HydrophobicContact CG1-CB 4.33Å; V36-V66 HydrophobicContact CG1-CG1 4.01Å; V36-V66 HydrophobicContact CG1-CG2 3.6Å; K38-V66 WeakPolarHBondContact CA-O 3.26Å; G39-V66 PolarHBondContact N-O 3.49Å; E40-V66 WeakPolarHBondContact O-CG2 3.32Å; E40-V66 PolarHBondContact O-N 3.41Å; L42-V66 HydrophobicContact CD2-CG2 4.02Å; V66-V69 HydrophobicContact CG1-CG2 4.14Å; V66-I74 HydrophobicContact CG1-CG2 3.87Å; V66-I74 HydrophobicContact CG2-CG2 4.25Å; V66-L76 HydrophobicContact CG2-CD2 3.87Å; V66-V162 HydrophobicContact CG2-CG2 4.49Å |
| 67 | V | 94.8 | Very high | 87.7 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 29% | 0.285 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -42.2 | 179.7 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | K38 E65 L75 K77 | K38-V67 WeakPolarHBondContact CD-O 3.46Å; K38-V67 WeakPolarHBondContact CE-O 3.08Å; K38-V67 WeakPolarHBondContact CG-O 3.38Å; E65-V67 PolarHBondContact O-N 3.27Å; V67-L75 HydrophobicContact CB-CB 4.36Å; V67-L75 HydrophobicContact CB-CD2 4.13Å; V67-L75 HydrophobicContact CB-CG 4.14Å; V67-L75 WeakPolarHBondContact CB-O 3.34Å; V67-L75 HydrophobicContact CG1-CD2 4.07Å; V67-L75 PolarHBondContact N-O 3.44Å; V67-K77 HydrophobicContact CG2-CB 3.55Å |
| 68 | L | 94.4 | Very high | 89.6 | Confident | 89 Ų | 89 | 40.2 Ų | 40.2 | 47% | 0.466 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 149.2 | -174.2 | 178.9 | 63.8 | 0 | 0 | 0 | 110.1 | L75 W108 | L68-L75 HydrophobicContact CB-CB 4.06Å; L68-L75 HydrophobicContact CB-CD2 4.48Å; L68-L75 PolarHBondContact O-N 2.83Å; L68-W108 HydrophobicContact CD2-CH2 4.23Å |
| 69 | V | 91.9 | Very high | 91.4 | Very high | 37 Ų | 37 | 32.3 Ų | 32.3 | 22% | 0.224 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.5 | 166.8 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | T34 V66 I74 L172 | T34-V69 HydrophobicContact CG2-CG1 4.11Å; V66-V69 HydrophobicContact CG1-CG2 4.14Å; V69-I74 HydrophobicContact CG1-CG1 4.45Å; V69-I74 HydrophobicContact CG2-CG1 4.38Å; V69-I74 HydrophobicContact CG2-CG2 4.4Å; V69-L172 HydrophobicContact CG1-CD1 4.17Å; V69-L172 HydrophobicContact CG1-CD2 3.87Å; V69-L172 HydrophobicContact CG1-CG 4.47Å |
| 70 | S | 90.9 | Very high | 92.5 | Very high | 65 Ų | 65 | 30 Ų | 30 | 46% | 0.455 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 100.9 | -177.5 | -167.6 | 0 | 0 | 0 | 0 | 110.2 | L73 | S70-L73 PolarHBondContact N-O 2.98Å; S70-L73 WeakPolarHBondContact O-CB 3.42Å; S70-L73 PolarHBondContact O-N 2.9Å |
| 71 | G | 88.2 | Confident | 92.4 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 27% | 0.268 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -139.4 | -164.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L73 L172 Y173 | G71-L73 PolarHBondContact O-N 3.16Å; G71-L172 WeakPolarHBondContact O-CD2 2.99Å; G71-Y173 VanDerWaalsContact C-OH 3.23Å; G71-Y173 VanDerWaalsContact CA-OH 3.27Å; G71-Y173 WeakPolarHBondContact CA-OH 3.39Å; G71-Y173 PolarHBondContact O-OH 3.5Å; G71-Y173 VanDerWaalsContact O-OH 3.12Å |
| 72 | Y | 92.1 | Very high | 91.3 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 6.3 | 172.6 | -64.8 | -72.5 | 0 | 0 | 0 | 114.6 | V111 K112 L172 Y173 F624 L675 | Y72-V111 WeakPolarHBondContact O-CG2 3.32Å; Y72-V111 PolarHBondContact O-N 3.46Å; Y72-K112 HydrophobicContact CD1-CD 4.24Å; Y72-K112 VanDerWaalsContact CD1-CE 3.45Å; Y72-K112 HydrophobicContact CD1-CG 3.79Å; Y72-K112 HydrophobicContact CD2-CG 4.19Å; Y72-K112 HydrophobicContact CE1-CD 4.43Å; Y72-K112 HydrophobicContact CE1-CG 4.29Å; Y72-K112 HydrophobicContact CG-CG 3.72Å; Y72-L172 HydrophobicContact CD1-CB 4.27Å; Y72-L172 HydrophobicContact CD1-CD2 4.07Å; Y72-L172 HydrophobicContact CE1-CB 4.46Å; Y72-Y173 HydrophobicContact CD1-CD2 4.44Å; Y72-Y173 AromaticContact CD1-CE2 3.99Å; Y72-Y173 HydrophobicContact CD1-CE2 3.99Å; Y72-Y173 AromaticContact CE1-CD2 3.63Å; Y72-Y173 HydrophobicContact CE1-CD2 3.63Å; Y72-Y173 AromaticContact CE1-CE2 3.5Å; Y72-Y173 HydrophobicContact CE1-CE2 3.5Å; Y72-Y173 HydrophobicContact CE2-CE2 4.3Å; Y72-Y173 AromaticContact CZ-CD2 3.89Å; Y72-Y173 AromaticContact CZ-CE2 3.68Å; Y72-F624 HydrophobicContact CD2-CZ 4.23Å; Y72-F624 AromaticContact CE2-CE1 3.95Å; Y72-F624 HydrophobicContact CE2-CE1 3.95Å; Y72-F624 AromaticContact CE2-CZ 3.74Å; Y72-F624 HydrophobicContact CE2-CZ 3.74Å; Y72-L675 HydrophobicContact CD2-CD1 3.99Å |
| 73 | L | 94.1 | Very high | 89.8 | Confident | 58 Ų | 58 | 40.3 Ų | 40.3 | 30% | 0.304 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 130.9 | 175.1 | -55.5 | -179.9 | 0 | 0 | 0 | 110.6 | S70 G71 W108 F109 D110 | S70-L73 PolarHBondContact N-O 2.98Å; S70-L73 WeakPolarHBondContact O-CB 3.42Å; S70-L73 PolarHBondContact O-N 2.9Å; G71-L73 PolarHBondContact O-N 3.16Å; L73-W108 HydrophobicContact CB-CE3 3.67Å; L73-W108 HydrophobicContact CB-CZ3 3.88Å; L73-F109 CarbonylContact C-O 3.56Å; L73-F109 WeakPolarHBondContact CA-O 3.27Å; L73-D110 HydrophobicContact CD2-CB 3.66Å |
| 74 | I | 95.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.8 | 175.1 | -53.4 | -179.6 | 0 | 0 | 0 | 108 | V36 V66 V69 L76 F109 V111 F166 L172 | V36-I74 HydrophobicContact CG1-CD1 4.39Å; V36-I74 HydrophobicContact CG2-CD1 4.28Å; V66-I74 HydrophobicContact CG1-CG2 3.87Å; V66-I74 HydrophobicContact CG2-CG2 4.25Å; V69-I74 HydrophobicContact CG1-CG1 4.45Å; V69-I74 HydrophobicContact CG2-CG1 4.38Å; V69-I74 HydrophobicContact CG2-CG2 4.4Å; I74-L76 HydrophobicContact CG2-CD2 3.63Å; I74-L76 HydrophobicContact CG2-CG 4.18Å; I74-L76 PolarHBondContact O-N 3.17Å; I74-F109 HydrophobicContact CB-CD1 4.38Å; I74-F109 HydrophobicContact CD1-CD1 4.21Å; I74-F109 HydrophobicContact CD1-CE1 4.49Å; I74-F109 PolarHBondContact N-O 3.47Å; I74-F109 PolarHBondContact O-N 3.12Å; I74-V111 HydrophobicContact CD1-CG2 3.67Å; I74-V111 HydrophobicContact CG1-CG2 4.02Å; I74-F166 HydrophobicContact CD1-CE2 4.21Å; I74-F166 HydrophobicContact CD1-CZ 3.97Å; I74-L172 HydrophobicContact CD1-CD1 4.21Å |
| 75 | L | 95 | Very high | 85.9 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 112.7 | 170.3 | -175.4 | 63.5 | 0 | 0 | 0 | 108.3 | V67 L68 W108 | V67-L75 HydrophobicContact CB-CB 4.36Å; V67-L75 HydrophobicContact CB-CD2 4.13Å; V67-L75 HydrophobicContact CB-CG 4.14Å; V67-L75 WeakPolarHBondContact CB-O 3.34Å; V67-L75 HydrophobicContact CG1-CD2 4.07Å; V67-L75 PolarHBondContact N-O 3.44Å; L68-L75 HydrophobicContact CB-CB 4.06Å; L68-L75 HydrophobicContact CB-CD2 4.48Å; L68-L75 PolarHBondContact O-N 2.83Å; L75-W108 HydrophobicContact CB-CD2 4.28Å; L75-W108 HydrophobicContact CB-CE3 3.91Å; L75-W108 HydrophobicContact CB-CH2 3.95Å; L75-W108 HydrophobicContact CB-CZ2 4.27Å; L75-W108 HydrophobicContact CB-CZ3 3.76Å; L75-W108 HydrophobicContact CD1-CD2 3.99Å; L75-W108 HydrophobicContact CD1-CE3 4.48Å; L75-W108 HydrophobicContact CD1-CG 4.29Å; L75-W108 HydrophobicContact CD1-CZ2 4.27Å |
| 76 | L | 95.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 149.5 | 177.2 | -61 | 179.4 | 0 | 0 | 0 | 110.1 | L42 V44 A64 E65 V66 I74 T106 F107 F109 | L42-L76 HydrophobicContact CD1-CD1 4.29Å; L42-L76 HydrophobicContact CD2-CD2 4.02Å; V44-L76 HydrophobicContact CG2-CD1 3.89Å; A64-L76 HydrophobicContact CB-CB 4.26Å; E65-L76 CarbonylContact O-C 3.28Å; E65-L76 WeakPolarHBondContact O-CA 3.35Å; V66-L76 HydrophobicContact CG2-CD2 3.87Å; I74-L76 HydrophobicContact CG2-CD2 3.63Å; I74-L76 HydrophobicContact CG2-CG 4.18Å; I74-L76 PolarHBondContact O-N 3.17Å; L76-T106 CarbonylContact O-C 3.54Å; L76-T106 VanDerWaalsContact O-CA 3.26Å; L76-T106 WeakPolarHBondContact O-CA 3.29Å; L76-F107 HydrophobicContact CB-CD1 4.45Å; L76-F107 HydrophobicContact CB-CD2 4.37Å; L76-F107 HydrophobicContact CB-CE1 3.96Å; L76-F107 HydrophobicContact CB-CE2 3.9Å; L76-F107 HydrophobicContact CB-CZ 3.67Å; L76-F107 HydrophobicContact CD1-CE2 3.87Å; L76-F107 HydrophobicContact CD1-CZ 4.09Å; L76-F107 HydrophobicContact CG-CE2 4.45Å; L76-F107 PolarHBondContact N-O 3Å; L76-F107 PolarHBondContact O-N 3.21Å; L76-F109 HydrophobicContact CD1-CB 3.73Å; L76-F109 HydrophobicContact CD1-CD1 4.28Å; L76-F109 HydrophobicContact CD1-CG 4.26Å; L76-F109 HydrophobicContact CG-CB 4.25Å |
| 77 | K | 93.6 | Very high | 80.9 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.1 | 171.5 | -178.8 | -169.9 | 171.3 | -165.3 | 0 | 109.2 | A64 E65 V67 C79 N105 T106 | A64-K77 CarbonylContact C-O 3.35Å; A64-K77 WeakPolarHBondContact CA-O 3.29Å; A64-K77 WeakPolarHBondContact CB-O 2.88Å; E65-K77 PolarHBondContact N-O 2.96Å; E65-K77 PolarHBondContact O-N 3.37Å; V67-K77 HydrophobicContact CG2-CB 3.55Å; K77-C79 PolarHBondContact O-N 3.46Å; K77-N105 WeakPolarHBondContact CA-O 3.32Å; K77-T106 HydrophobicContact CB-CG2 4.08Å; K77-T106 HydrophobicContact CG-CG2 4.1Å |
| 78 | W | 92.2 | Very high | 78.4 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 2% | 0.023 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 131.6 | 173.7 | -62.8 | 116.9 | 0 | 0 | 0 | 111.4 | V44 W62 A64 N105 F107 P135 I138 | V44-W78 HydrophobicContact CB-CH2 3.94Å; V44-W78 HydrophobicContact CB-CZ3 3.77Å; V44-W78 HydrophobicContact CG1-CH2 3.85Å; V44-W78 HydrophobicContact CG1-CZ3 4.21Å; W62-W78 HydrophobicContact CB-CE3 4.18Å; W62-W78 HydrophobicContact CB-CZ3 3.97Å; W62-W78 AromaticContact CD1-CE3 3.91Å; W62-W78 HydrophobicContact CG-CE3 4.44Å; A64-W78 HydrophobicContact CB-CE3 4.18Å; W78-N105 PolarHBondContact N-O 3.14Å; W78-N105 VanDerWaalsContact N-O 3.16Å; W78-F107 AromaticContact CD2-CE1 3.64Å; W78-F107 HydrophobicContact CD2-CE1 3.64Å; W78-F107 HydrophobicContact CD2-CZ 4.24Å; W78-F107 AromaticContact CE2-CD1 3.94Å; W78-F107 AromaticContact CE2-CE1 3.31Å; W78-F107 AromaticContact CE2-CZ 3.9Å; W78-F107 HydrophobicContact CE3-CE1 4.16Å; W78-F107 HydrophobicContact CE3-CZ 4.35Å; W78-F107 HydrophobicContact CG-CE1 4.09Å; W78-F107 HydrophobicContact CH2-CE1 4.17Å; W78-F107 AromaticContact CH2-CZ 3.89Å; W78-F107 HydrophobicContact CH2-CZ 3.89Å; W78-F107 HydrophobicContact CZ2-CD1 4.29Å; W78-F107 AromaticContact CZ2-CE1 3.61Å; W78-F107 HydrophobicContact CZ2-CE1 3.61Å; W78-F107 HydrophobicContact CZ2-CE2 4.48Å; W78-F107 AromaticContact CZ2-CZ 3.71Å; W78-F107 HydrophobicContact CZ2-CZ 3.71Å; W78-F107 HydrophobicContact CZ3-CE1 4.42Å; W78-F107 HydrophobicContact CZ3-CZ 4.21Å; W78-F107 AromaticContact NE1-CD1 3.74Å; W78-F107 AromaticContact NE1-CE1 3.56Å; W78-P135 HydrophobicContact CD2-CG 3.65Å; W78-P135 HydrophobicContact CE3-CG 3.94Å; W78-P135 HydrophobicContact CG-CG 4.14Å; W78-P135 HydrophobicContact CH2-CB 4.47Å; W78-P135 HydrophobicContact CH2-CG 4.08Å; W78-P135 HydrophobicContact CZ2-CB 4.09Å; W78-P135 HydrophobicContact CZ2-CG 3.82Å; W78-P135 HydrophobicContact CZ3-CG 4.13Å; W78-I138 HydrophobicContact CB-CD1 3.82Å; W78-I138 HydrophobicContact CG-CD1 4.34Å |
| 79 | C | 91.6 | Very high | 75.6 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | trans | -73.8 | 132.9 | 175.5 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | W62 P63 K77 W153 L157 | W62-C79 PolarHBondContact NE1-O 3.07Å; P63-C79 HydrophobicContact CB-CB 4.1Å; P63-C79 HydrophobicContact CG-CB 4.1Å; P63-C79 WeakPolarHBondContact O-CB 3.28Å; P63-C79 PolarHBondContact O-N 2.98Å; K77-C79 PolarHBondContact O-N 3.46Å; C79-W153 HydrophobicContact CB-CH2 4.25Å; C79-W153 HydrophobicContact CB-CZ2 3.79Å; C79-L157 HydrophobicContact CB-CD1 4.28Å; C79-L157 HydrophobicContact CB-CD2 4.25Å | ||
| 80 | I | 87.6 | Confident | 72.9 | Confident | 51 Ų | 51 | 64.4 Ų | 64.4 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | trans | -123.4 | 133.2 | 179.7 | -58.6 | 175.3 | 0 | 0 | 0 | 108.3 | I138 L141 | I80-I138 HydrophobicContact CD1-CG2 3.9Å; I80-I138 HydrophobicContact CG1-CD1 4.46Å; I80-I138 HydrophobicContact CG1-CG2 4.23Å; I80-L141 HydrophobicContact CG2-CD1 4.5Å | ||
| 81 | P | 80.2 | Confident | 70.2 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.013 | 37% | 0.368 | C | S | . | . | trans | -67.7 | 134.2 | 172.3 | -18.5 | 31.6 | 0 | 0 | 0 | 111.8 | T83 A84 W148 W153 | P81-T83 PolarHBondContact O-N 2.88Å; P81-A84 WeakPolarHBondContact O-CB 3.39Å; P81-A84 PolarHBondContact O-N 3.17Å; P81-W148 HydrophobicContact CB-CE3 4.18Å; P81-W148 HydrophobicContact CB-CH2 4.07Å; P81-W148 HydrophobicContact CB-CZ3 3.59Å; P81-W148 HydrophobicContact CG-CD2 4.21Å; P81-W148 HydrophobicContact CG-CE3 3.64Å; P81-W148 HydrophobicContact CG-CH2 3.87Å; P81-W148 HydrophobicContact CG-CZ2 4.4Å; P81-W148 HydrophobicContact CG-CZ3 3.46Å; P81-W148 VanDerWaalsContact CG-CZ3 3.46Å; P81-W153 HydrophobicContact CB-CD2 4.37Å; P81-W153 HydrophobicContact CB-CZ2 4.48Å; P81-W153 HydrophobicContact CG-CD2 4.19Å; P81-W153 HydrophobicContact CG-CE3 4.25Å; P81-W153 HydrophobicContact CG-CH2 3.88Å; P81-W153 HydrophobicContact CG-CZ2 3.79Å; P81-W153 HydrophobicContact CG-CZ3 4.11Å | ||
| 82 | E | 67.4 | Low | 67.5 | Low | 158 Ų | 158 | 72.9 Ų | 72.9 | 74% | 0.738 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.7 | -32.8 | -179.2 | -63.7 | 177.3 | 163.8 | 0 | 0 | 112.5 | A84 V85 | E82-A84 PolarHBondContact O-N 3.29Å; E82-V85 PolarHBondContact O-N 3.44Å; E82-V85 VanDerWaalsContact O-N 3.13Å |
| 83 | T | 59.5 | Low | 64.5 | Low | 96 Ų | 96 | 76.8 Ų | 76.8 | 59% | 0.589 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.4 | -23.6 | 175.4 | 49.1 | 0 | 0 | 0 | 0 | 114.1 | P81 S87 | P81-T83 PolarHBondContact O-N 2.88Å; T83-S87 PolarHBondContact O-OG 2.95Å |
| 84 | A | 54.9 | Low | 61.6 | Low | 12 Ų | 12 | 79.5 Ų | 79.5 | 10% | 0.099 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -76.2 | -27.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P81 E82 S87 L141 | P81-A84 WeakPolarHBondContact O-CB 3.39Å; P81-A84 PolarHBondContact O-N 3.17Å; E82-A84 PolarHBondContact O-N 3.29Å; A84-S87 WeakPolarHBondContact O-CB 3.44Å; A84-S87 PolarHBondContact O-N 3.39Å; A84-L141 HydrophobicContact CB-CD2 3.31Å |
| 85 | V | 51.8 | Low | 58.7 | Low | 96 Ų | 96 | 86.4 Ų | 86.4 | 58% | 0.582 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.9 | -47.7 | -176.4 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | E82 S87 S88 | E82-V85 PolarHBondContact O-N 3.44Å; E82-V85 VanDerWaalsContact O-N 3.13Å; V85-S87 PolarHBondContact O-N 3Å; V85-S88 PolarHBondContact O-OG 3.1Å |
| 86 | Y | 45.2 | Very low | 55.6 | Low | 173 Ų | 173 | 89.6 Ų | 89.6 | 68% | 0.678 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -69.7 | -8.9 | 179.6 | -67.8 | -77.4 | 0 | 0 | 0 | 114.6 | S88 | Y86-S88 PolarHBondContact O-N 3.31Å; Y86-S88 VanDerWaalsContact O-N 3.11Å |
| 87 | S | 43.9 | Very low | 52.5 | Low | 72 Ų | 72 | 95.9 Ų | 95.9 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -69.3 | -5.1 | 178.3 | -60.8 | 0 | 0 | 0 | 0 | 113.7 | T83 A84 V85 | T83-S87 PolarHBondContact O-OG 2.95Å; A84-S87 WeakPolarHBondContact O-CB 3.44Å; A84-S87 PolarHBondContact O-N 3.39Å; V85-S87 PolarHBondContact O-N 3Å |
| 88 | S | 41.8 | Very low | 49.7 | Very low | 90 Ų | 90 | 98.5 Ų | 98.5 | 63% | 0.629 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -96 | -11.3 | -169.4 | -47.3 | 0 | 0 | 0 | 0 | 114.7 | V85 Y86 T90 | V85-S88 PolarHBondContact O-OG 3.1Å; Y86-S88 PolarHBondContact O-N 3.31Å; Y86-S88 VanDerWaalsContact O-N 3.11Å; S88-T90 VanDerWaalsContact C-N 3.3Å; S88-T90 PolarHBondContact O-N 3.26Å |
| 89 | E | 35.8 | Very low | 46.9 | Very low | 158 Ų | 158 | 102.1 Ų | 102.1 | 74% | 0.738 | 60% | 0.598 | S | S | * | * | trans | -84.2 | 55.5 | -166.3 | -62.8 | -167.5 | 168.5 | 0 | 0 | 114.5 | ||||
| 90 | T | 34.7 | Very low | 44.3 | Very low | 135 Ų | 135 | 108.7 Ų | 108.7 | 83% | 0.828 | 63% | 0.628 | S | S | * | * | trans | -128.5 | 33.3 | 170.8 | 50.3 | 0 | 0 | 0 | 0 | 113.9 | S88 | S88-T90 VanDerWaalsContact C-N 3.3Å; S88-T90 PolarHBondContact O-N 3.26Å | ||
| 91 | T | 35 | Very low | 41.9 | Very low | 126 Ų | 126 | 115.6 Ų | 115.6 | 77% | 0.773 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -145.4 | 117 | 160.8 | -39.7 | 0 | 0 | 0 | 0 | 111.2 | C93 | T91-C93 PolarHBondContact O-N 3.46Š|
| 92 | T | 30.5 | Very low | 40.3 | Very low | 143 Ų | 143 | 120.1 Ų | 120.1 | 88% | 0.877 | 68% | 0.682 | S | S | * | * | trans | -72.1 | 112.5 | 179.8 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 93 | C | 29 | Very low | 39.7 | Very low | 112 Ų | 112 | 116.2 Ų | 116.2 | 76% | 0.757 | 67% | 0.672 | S | S | * | * | trans | -140.4 | 149.7 | 164.9 | -84.8 | 0 | 0 | 0 | 0 | 108.9 | T91 | T91-C93 PolarHBondContact O-N 3.46Š| ||
| 94 | P | 34.6 | Very low | 39.9 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 74% | 0.74 | 68% | 0.676 | S | S | * | * | trans | -76.1 | 148.4 | -169.2 | 30.1 | -35.7 | 0 | 0 | 0 | 113.7 | S96 | P94-S96 PolarHBondContact O-N 2.89Å; P94-S96 VanDerWaalsContact O-N 3.13Å; P94-S96 PolarHBondContact O-OG 3.42Å | ||
| 95 | V | 33.1 | Very low | 41.1 | Very low | 146 Ų | 146 | 119.9 Ų | 119.9 | 89% | 0.885 | 68% | 0.682 | S | S | * | * | trans | -61.8 | 111.6 | -179.7 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 96 | S | 30.9 | Very low | 42.9 | Very low | 93 Ų | 93 | 117.8 Ų | 117.8 | 65% | 0.65 | 67% | 0.669 | S | S | * | * | trans | -148.2 | 131.8 | 169 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | P94 | P94-S96 PolarHBondContact O-N 2.89Å; P94-S96 VanDerWaalsContact O-N 3.13Å; P94-S96 PolarHBondContact O-OG 3.42Å | ||
| 97 | D | 29.4 | Very low | 45.1 | Very low | 133 Ų | 133 | 111 Ų | 111 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | trans | 49.2 | 63.4 | 165.8 | -60.1 | -22.2 | 0 | 0 | 0 | 118.9 | S99 | D97-S99 PolarHBondContact O-N 3Š| ||
| 98 | T | 33.8 | Very low | 47.4 | Very low | 145 Ų | 145 | 113.6 Ų | 113.6 | 89% | 0.89 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 38.6 | 166.2 | -29.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 99 | S | 34.2 | Very low | 49.8 | Very low | 82 Ų | 82 | 109.3 Ų | 109.3 | 57% | 0.573 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | -3 | -170.2 | 61.2 | 0 | 0 | 0 | 0 | 115 | D97 | D97-S99 PolarHBondContact O-N 3Š|
| 100 | Q | 36.8 | Very low | 52.5 | Low | 145 Ų | 145 | 104.2 Ų | 104.2 | 68% | 0.678 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -103.5 | -4.1 | -167.4 | -65.8 | -169.3 | -4.3 | 0 | 0 | 117.1 | P102 | Q100-P102 VanDerWaalsContact C-CD 3.47Š|
| 101 | Y | 36.5 | Very low | 55.3 | Low | 197 Ų | 197 | 97.8 Ų | 97.8 | 77% | 0.773 | 55% | 0.55 | S | S | * | * | trans | -124 | 50.5 | -177.4 | -71.4 | -80.4 | 0 | 0 | 0 | 117.6 | ||||
| 102 | P | 48.3 | Very low | 57.9 | Low | 96 Ų | 96 | 95.2 Ų | 95.2 | 62% | 0.623 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -96.8 | -18.8 | 170.8 | 36.8 | -34.4 | 0 | 0 | 0 | 115.2 | Q100 | Q100-P102 VanDerWaalsContact C-CD 3.47Š|
| 103 | S | 53.9 | Low | 60.7 | Low | 77 Ų | 77 | 88.9 Ų | 88.9 | 54% | 0.538 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -84.4 | -42.8 | -161.9 | 41.6 | 0 | 0 | 0 | 0 | 115.6 | N105 T106 | S103-N105 VanDerWaalsContact C-N 3.27Å; S103-N105 PolarHBondContact O-N 3.16Å; S103-T106 PolarHBondContact O-N 2.74Å; S103-T106 PolarHBondContact O-OG1 3.41Å |
| 104 | E | 63.8 | Low | 63.5 | Low | 145 Ų | 145 | 89.5 Ų | 89.5 | 68% | 0.678 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -16.6 | -167.6 | -59.8 | -169.9 | 152.3 | 0 | 0 | 114.7 | T106 | E104-T106 VanDerWaalsContact C-N 3.34Š|
| 105 | N | 80.8 | Confident | 65.9 | Low | 40 Ų | 40 | 84.7 Ų | 84.7 | 21% | 0.214 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 6.1 | 178.1 | -77.1 | -35.8 | 0 | 0 | 0 | 113.8 | K77 W78 S103 | K77-N105 WeakPolarHBondContact CA-O 3.32Å; W78-N105 PolarHBondContact N-O 3.14Å; W78-N105 VanDerWaalsContact N-O 3.16Å; S103-N105 VanDerWaalsContact C-N 3.27Å; S103-N105 PolarHBondContact O-N 3.16Å |
| 106 | T | 89.1 | Confident | 68.7 | Low | 52 Ų | 52 | 79.2 Ų | 79.2 | 32% | 0.319 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.3 | 177.8 | 64.6 | 0 | 0 | 0 | 0 | 112 | L76 K77 S103 E104 | L76-T106 CarbonylContact O-C 3.54Å; L76-T106 VanDerWaalsContact O-CA 3.26Å; L76-T106 WeakPolarHBondContact O-CA 3.29Å; K77-T106 HydrophobicContact CB-CG2 4.08Å; K77-T106 HydrophobicContact CG-CG2 4.1Å; S103-T106 PolarHBondContact O-N 2.74Å; S103-T106 PolarHBondContact O-OG1 3.41Å; E104-T106 VanDerWaalsContact C-N 3.34Å |
| 107 | F | 91.3 | Very high | 71.5 | Confident | 29 Ų | 29 | 80.9 Ų | 80.9 | 13% | 0.127 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 152.2 | -176.2 | 61.8 | -81.3 | 0 | 0 | 0 | 111.5 | V44 F49 A64 L76 W78 | V44-F107 HydrophobicContact CB-CZ 4.39Å; V44-F107 HydrophobicContact CG1-CE2 3.95Å; V44-F107 HydrophobicContact CG1-CZ 3.94Å; V44-F107 HydrophobicContact CG2-CZ 4.28Å; F49-F107 HydrophobicContact CB-CD2 4.16Å; F49-F107 AromaticContact CD1-CD2 3.61Å; F49-F107 HydrophobicContact CD1-CD2 3.61Å; F49-F107 AromaticContact CD1-CE2 3.97Å; F49-F107 HydrophobicContact CD1-CE2 3.97Å; F49-F107 HydrophobicContact CD2-CD2 4.36Å; F49-F107 AromaticContact CD2-CE2 4Å; F49-F107 HydrophobicContact CD2-CE2 4Å; F49-F107 HydrophobicContact CE1-CD2 4.1Å; F49-F107 HydrophobicContact CE1-CE2 4.18Å; F49-F107 HydrophobicContact CE2-CE2 4.24Å; F49-F107 AromaticContact CG-CD2 3.76Å; F49-F107 HydrophobicContact CG-CD2 3.76Å; F49-F107 AromaticContact CG-CE2 3.87Å; F49-F107 HydrophobicContact CG-CE2 3.87Å; F49-F107 HydrophobicContact CZ-CE2 4.32Å; A64-F107 HydrophobicContact CB-CZ 4.27Å; L76-F107 HydrophobicContact CB-CD1 4.45Å; L76-F107 HydrophobicContact CB-CD2 4.37Å; L76-F107 HydrophobicContact CB-CE1 3.96Å; L76-F107 HydrophobicContact CB-CE2 3.9Å; L76-F107 HydrophobicContact CB-CZ 3.67Å; L76-F107 HydrophobicContact CD1-CE2 3.87Å; L76-F107 HydrophobicContact CD1-CZ 4.09Å; L76-F107 HydrophobicContact CG-CE2 4.45Å; L76-F107 PolarHBondContact N-O 3Å; L76-F107 PolarHBondContact O-N 3.21Å; W78-F107 AromaticContact CD2-CE1 3.64Å; W78-F107 HydrophobicContact CD2-CE1 3.64Å; W78-F107 HydrophobicContact CD2-CZ 4.24Å; W78-F107 AromaticContact CE2-CD1 3.94Å; W78-F107 AromaticContact CE2-CE1 3.31Å; W78-F107 AromaticContact CE2-CZ 3.9Å; W78-F107 HydrophobicContact CE3-CE1 4.16Å; W78-F107 HydrophobicContact CE3-CZ 4.35Å; W78-F107 HydrophobicContact CG-CE1 4.09Å; W78-F107 HydrophobicContact CH2-CE1 4.17Å; W78-F107 AromaticContact CH2-CZ 3.89Å; W78-F107 HydrophobicContact CH2-CZ 3.89Å; W78-F107 HydrophobicContact CZ2-CD1 4.29Å; W78-F107 AromaticContact CZ2-CE1 3.61Å; W78-F107 HydrophobicContact CZ2-CE1 3.61Å; W78-F107 HydrophobicContact CZ2-CE2 4.48Å; W78-F107 AromaticContact CZ2-CZ 3.71Å; W78-F107 HydrophobicContact CZ2-CZ 3.71Å; W78-F107 HydrophobicContact CZ3-CE1 4.42Å; W78-F107 HydrophobicContact CZ3-CZ 4.21Å; W78-F107 AromaticContact NE1-CD1 3.74Å; W78-F107 AromaticContact NE1-CE1 3.56Å |
| 108 | W | 91.3 | Very high | 74.4 | Confident | 128 Ų | 128 | 77.4 Ų | 77.4 | 49% | 0.485 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.6 | -179 | -71.8 | 101.5 | 0 | 0 | 0 | 111.8 | L68 L73 L75 | L68-W108 HydrophobicContact CD2-CH2 4.23Å; L73-W108 HydrophobicContact CB-CE3 3.67Å; L73-W108 HydrophobicContact CB-CZ3 3.88Å; L75-W108 HydrophobicContact CB-CD2 4.28Å; L75-W108 HydrophobicContact CB-CE3 3.91Å; L75-W108 HydrophobicContact CB-CH2 3.95Å; L75-W108 HydrophobicContact CB-CZ2 4.27Å; L75-W108 HydrophobicContact CB-CZ3 3.76Å; L75-W108 HydrophobicContact CD1-CD2 3.99Å; L75-W108 HydrophobicContact CD1-CE3 4.48Å; L75-W108 HydrophobicContact CD1-CG 4.29Å; L75-W108 HydrophobicContact CD1-CZ2 4.27Å |
| 109 | F | 92.7 | Very high | 77.3 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.9 | 172.1 | 168.3 | -127 | 0 | 0 | 0 | 110.4 | F49 L73 I74 L76 V111 W116 V119 F166 | F49-F109 HydrophobicContact CE1-CB 4.11Å; F49-F109 HydrophobicContact CE1-CD2 4.07Å; F49-F109 HydrophobicContact CZ-CB 4.3Å; F49-F109 AromaticContact CZ-CD2 3.75Å; F49-F109 HydrophobicContact CZ-CD2 3.75Å; F49-F109 HydrophobicContact CZ-CG 4.36Å; L73-F109 CarbonylContact C-O 3.56Å; L73-F109 WeakPolarHBondContact CA-O 3.27Å; I74-F109 HydrophobicContact CB-CD1 4.38Å; I74-F109 HydrophobicContact CD1-CD1 4.21Å; I74-F109 HydrophobicContact CD1-CE1 4.49Å; I74-F109 PolarHBondContact N-O 3.47Å; I74-F109 PolarHBondContact O-N 3.12Å; L76-F109 HydrophobicContact CD1-CB 3.73Å; L76-F109 HydrophobicContact CD1-CD1 4.28Å; L76-F109 HydrophobicContact CD1-CG 4.26Å; L76-F109 HydrophobicContact CG-CB 4.25Å; F109-V111 HydrophobicContact CD1-CG2 4.49Å; F109-V111 HydrophobicContact CE1-CG2 4.1Å; F109-W116 HydrophobicContact CE1-CE3 4.47Å; F109-W116 HydrophobicContact CE1-CZ3 4.38Å; F109-W116 AromaticContact CZ-CE3 3.67Å; F109-W116 HydrophobicContact CZ-CE3 3.67Å; F109-W116 AromaticContact CZ-CZ3 4Å; F109-W116 HydrophobicContact CZ-CZ3 4Å; F109-V119 HydrophobicContact CD1-CG1 4.23Å; F109-V119 HydrophobicContact CD2-CG1 4.19Å; F109-V119 HydrophobicContact CE1-CB 4.47Å; F109-V119 HydrophobicContact CE1-CG1 3.92Å; F109-V119 HydrophobicContact CE1-CG2 3.86Å; F109-V119 HydrophobicContact CE2-CG1 3.89Å; F109-V119 HydrophobicContact CE2-CG2 4.13Å; F109-V119 HydrophobicContact CG-CG1 4.36Å; F109-V119 HydrophobicContact CZ-CB 4.22Å; F109-V119 HydrophobicContact CZ-CG1 3.74Å; F109-V119 HydrophobicContact CZ-CG2 3.39Å; F109-F166 HydrophobicContact CE1-CE1 4.49Å; F109-F166 HydrophobicContact CE1-CZ 4.14Å |
| 110 | D | 92.5 | Very high | 80.1 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 113.1 | 175.5 | 178.7 | -2.4 | 0 | 0 | 0 | 110.4 | L73 K112 G113 | L73-D110 HydrophobicContact CD2-CB 3.66Å; D110-K112 PolarHBondContact O-N 3.2Å; D110-K112 WeakPolarHBondContact OD1-CA 3.48Å; D110-K112 PolarHBondContact OD1-N 2.97Å; D110-G113 PolarHBondContact O-N 3.28Å; D110-G113 PolarHBondContact OD1-N 3.33Å; D110-G113 VanDerWaalsContact OD2-CA 3.28Å; D110-G113 WeakPolarHBondContact OD2-CA 3.48Å; D110-G113 PolarHBondContact OD2-N 3.06Å |
| 111 | V | 92.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -60.7 | -29.5 | 179.1 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | Y72 I74 F109 W116 F166 R170 L172 | Y72-V111 WeakPolarHBondContact O-CG2 3.32Å; Y72-V111 PolarHBondContact O-N 3.46Å; I74-V111 HydrophobicContact CD1-CG2 3.67Å; I74-V111 HydrophobicContact CG1-CG2 4.02Å; F109-V111 HydrophobicContact CD1-CG2 4.49Å; F109-V111 HydrophobicContact CE1-CG2 4.1Å; V111-W116 HydrophobicContact CG1-CE3 4.33Å; V111-W116 HydrophobicContact CG1-CZ3 3.9Å; V111-F166 HydrophobicContact CG1-CE2 4.32Å; V111-F166 HydrophobicContact CG2-CE2 4.03Å; V111-F166 HydrophobicContact CG2-CZ 3.93Å; V111-R170 VanDerWaalsContact O-CZ 3.3Å; V111-R170 PolarHBondContact O-NE 2.75Å; V111-R170 PolarHBondContact O-NH2 3.11Å; V111-L172 HydrophobicContact CG1-CB 4.33Å; V111-L172 HydrophobicContact CG2-CD2 4.35Å |
| 112 | K | 90.4 | Very high | 85.6 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -102.8 | -10.1 | -179.3 | -56.1 | -56.2 | -179.8 | -178.9 | 0 | 113.2 | Y72 D110 R170 E176 L675 | Y72-K112 HydrophobicContact CD1-CD 4.24Å; Y72-K112 VanDerWaalsContact CD1-CE 3.45Å; Y72-K112 HydrophobicContact CD1-CG 3.79Å; Y72-K112 HydrophobicContact CD2-CG 4.19Å; Y72-K112 HydrophobicContact CE1-CD 4.43Å; Y72-K112 HydrophobicContact CE1-CG 4.29Å; Y72-K112 HydrophobicContact CG-CG 3.72Å; D110-K112 PolarHBondContact O-N 3.2Å; D110-K112 WeakPolarHBondContact OD1-CA 3.48Å; D110-K112 PolarHBondContact OD1-N 2.97Å; K112-R170 VanDerWaalsContact CA-NH2 3.35Å; K112-R170 PolarHBondContact NZ-O 2.88Å; K112-R170 PolarHBondContact O-NH2 3.06Å; K112-R170 VanDerWaalsContact O-NH2 3.16Å; K112-E176 WeakPolarHBondContact CE-OE1 3.38Å; K112-E176 IonicContact NZ-OE1 2.92Å; K112-E176 PolarHBondContact NZ-OE1 3.08Å; K112-E176 IonicContact NZ-OE2 3.83Å; K112-L675 HydrophobicContact CB-CD1 3.86Å; K112-L675 HydrophobicContact CG-CD1 4.14Å |
| 113 | G | 89.6 | Confident | 87.6 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -75.9 | -177.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D110 G115 R170 | D110-G113 PolarHBondContact O-N 3.28Å; D110-G113 PolarHBondContact OD1-N 3.33Å; D110-G113 VanDerWaalsContact OD2-CA 3.28Å; D110-G113 WeakPolarHBondContact OD2-CA 3.48Å; D110-G113 PolarHBondContact OD2-N 3.06Å; G113-G115 PolarHBondContact O-N 2.8Å; G113-R170 PolarHBondContact O-NH2 3.44Å |
| 114 | P | 87.2 | Confident | 89.3 | Confident | 125 Ų | 125 | 47 Ų | 47 | 81% | 0.812 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -72.7 | -8.7 | -180 | 30.9 | -36.3 | 0 | 0 | 0 | 113.8 | W116 | P114-W116 PolarHBondContact O-N 2.92Š|
| 115 | G | 85.8 | Confident | 90.5 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 13% | 0.134 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -74.4 | -1.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G113 D117 F118 | G113-G115 PolarHBondContact O-N 2.8Å; G115-D117 PolarHBondContact O-N 2.73Å; G115-F118 WeakPolarHBondContact O-CB 3.16Å; G115-F118 PolarHBondContact O-N 2.74Å |
| 116 | W | 90.9 | Very high | 90.8 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 12% | 0.117 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -61 | -38.4 | -169.9 | -178.8 | -98.7 | 0 | 0 | 0 | 114.5 | F109 V111 P114 F118 V119 F166 R170 | F109-W116 HydrophobicContact CE1-CE3 4.47Å; F109-W116 HydrophobicContact CE1-CZ3 4.38Å; F109-W116 AromaticContact CZ-CE3 3.67Å; F109-W116 HydrophobicContact CZ-CE3 3.67Å; F109-W116 AromaticContact CZ-CZ3 4Å; F109-W116 HydrophobicContact CZ-CZ3 4Å; V111-W116 HydrophobicContact CG1-CE3 4.33Å; V111-W116 HydrophobicContact CG1-CZ3 3.9Å; P114-W116 PolarHBondContact O-N 2.92Å; W116-F118 PolarHBondContact O-N 2.92Å; W116-F118 VanDerWaalsContact O-N 3.08Å; W116-V119 HydrophobicContact CE3-CG2 4.39Å; W116-V119 HydrophobicContact CZ3-CG2 4.46Å; W116-V119 WeakPolarHBondContact O-CG2 3.44Å; W116-V119 PolarHBondContact O-N 3.18Å; W116-F166 AromaticContact CH2-CD1 3.94Å; W116-F166 HydrophobicContact CH2-CD1 3.94Å; W116-F166 AromaticContact CH2-CE1 3.65Å; W116-F166 HydrophobicContact CH2-CE1 3.65Å; W116-F166 HydrophobicContact CH2-CG 4.5Å; W116-F166 AromaticContact CH2-CZ 3.97Å; W116-F166 HydrophobicContact CH2-CZ 3.97Å; W116-F166 WeakPolarHBondContact CH2-O 3.34Å; W116-F166 HydrophobicContact CZ3-CD1 4.44Å; W116-F166 AromaticContact CZ3-CE1 3.72Å; W116-F166 HydrophobicContact CZ3-CE1 3.72Å; W116-F166 HydrophobicContact CZ3-CE2 4.38Å; W116-F166 AromaticContact CZ3-CZ 3.68Å; W116-F166 HydrophobicContact CZ3-CZ 3.68Å; W116-R170 VanDerWaalsContact CB-CZ 3.44Å; W116-R170 HydrophobicContact CD2-CB 4.47Å; W116-R170 HydrophobicContact CD2-CG 3.68Å; W116-R170 HydrophobicContact CE3-CG 3.79Å; W116-R170 HydrophobicContact CG-CG 4.37Å; W116-R170 HydrophobicContact CH2-CB 4.11Å; W116-R170 HydrophobicContact CH2-CG 3.93Å; W116-R170 HydrophobicContact CZ2-CB 3.71Å; W116-R170 HydrophobicContact CZ2-CG 3.75Å; W116-R170 HydrophobicContact CZ3-CG 3.94Å |
| 117 | D | 89.5 | Confident | 90.7 | Very high | 128 Ų | 128 | 43.6 Ų | 43.6 | 68% | 0.684 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -74.4 | -0.6 | -176.5 | -53.1 | -38.4 | 0 | 0 | 0 | 112.8 | G115 | G115-D117 PolarHBondContact O-N 2.73Š|
| 118 | F | 91.9 | Very high | 90.6 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 26% | 0.263 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -101.1 | 11.4 | 176.5 | -57.8 | -63.7 | 0 | 0 | 0 | 113.7 | V44 N45 F49 W61 G115 W116 | V44-F118 CarbonylContact C-O 3.56Å; V44-F118 WeakPolarHBondContact CA-O 3.47Å; N45-F118 HydrophobicContact CB-CB 3.94Å; N45-F118 HydrophobicContact CB-CD1 3.91Å; N45-F118 HydrophobicContact CB-CG 4.39Å; N45-F118 PolarHBondContact N-O 3.14Å; F49-F118 HydrophobicContact CE2-CB 3.96Å; W61-F118 WeakPolarHBondContact CZ3-O 3.47Å; G115-F118 WeakPolarHBondContact O-CB 3.16Å; G115-F118 PolarHBondContact O-N 2.74Å; W116-F118 PolarHBondContact O-N 2.92Å; W116-F118 VanDerWaalsContact O-N 3.08Å |
| 119 | V | 93.8 | Very high | 90.2 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.9 | 172.9 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | L42 E43 V44 F109 W116 F167 | L42-V119 HydrophobicContact CD1-CB 3.79Å; L42-V119 HydrophobicContact CD1-CG1 3.74Å; E43-V119 WeakPolarHBondContact O-CA 3.27Å; V44-V119 HydrophobicContact CG2-CG1 4.3Å; F109-V119 HydrophobicContact CD1-CG1 4.23Å; F109-V119 HydrophobicContact CD2-CG1 4.19Å; F109-V119 HydrophobicContact CE1-CB 4.47Å; F109-V119 HydrophobicContact CE1-CG1 3.92Å; F109-V119 HydrophobicContact CE1-CG2 3.86Å; F109-V119 HydrophobicContact CE2-CG1 3.89Å; F109-V119 HydrophobicContact CE2-CG2 4.13Å; F109-V119 HydrophobicContact CG-CG1 4.36Å; F109-V119 HydrophobicContact CZ-CB 4.22Å; F109-V119 HydrophobicContact CZ-CG1 3.74Å; F109-V119 HydrophobicContact CZ-CG2 3.39Å; W116-V119 HydrophobicContact CE3-CG2 4.39Å; W116-V119 HydrophobicContact CZ3-CG2 4.46Å; W116-V119 WeakPolarHBondContact O-CG2 3.44Å; W116-V119 PolarHBondContact O-N 3.18Å; V119-F167 HydrophobicContact CB-CE1 4.34Å; V119-F167 HydrophobicContact CG2-CD1 4.45Å; V119-F167 HydrophobicContact CG2-CE1 4.17Å |
| 120 | Q | 94 | Very high | 89.8 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 161 | 177.4 | 66.9 | -173.7 | 5.7 | 0 | 0 | 112.5 | E43 W61 C125 | E43-Q120 HydrophobicContact CB-CG 3.72Å; E43-Q120 PolarHBondContact N-O 3.48Å; E43-Q120 PolarHBondContact O-N 3.34Å; E43-Q120 PolarHBondContact OE2-NE2 2.75Å; W61-Q120 HydrophobicContact CE3-CG 3.9Å; W61-Q120 HydrophobicContact CH2-CG 4.14Å; W61-Q120 HydrophobicContact CZ3-CB 4.23Å; W61-Q120 HydrophobicContact CZ3-CG 3.56Å; Q120-C125 PolarHBondContact NE2-SG 2.87Å |
| 121 | P | 93.9 | Very high | 89.4 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | trans | -57.4 | 151.7 | 176.8 | -21.8 | 29.1 | 0 | 0 | 0 | 113.6 | G123 S124 F167 | P121-G123 PolarHBondContact O-N 3.36Å; P121-S124 WeakPolarHBondContact CD-OG 3.38Å; P121-S124 VanDerWaalsContact O-CB 3.22Å; P121-S124 WeakPolarHBondContact O-CB 3.39Å; P121-S124 PolarHBondContact O-N 2.82Å; P121-S124 VanDerWaalsContact O-N 3.12Å; P121-S124 PolarHBondContact O-OG 3.13Å; P121-F167 HydrophobicContact CB-CD2 4.32Å; P121-F167 HydrophobicContact CB-CE2 4.18Å; P121-F167 HydrophobicContact CG-CB 4.24Å; P121-F167 HydrophobicContact CG-CD1 4.35Å; P121-F167 HydrophobicContact CG-CD2 3.58Å; P121-F167 HydrophobicContact CG-CE2 3.91Å; P121-F167 HydrophobicContact CG-CG 3.81Å; P121-F167 HydrophobicContact CG-CZ 4.43Å | ||
| 122 | M | 93.5 | Very high | 89.2 | Confident | 18 Ų | 18 | 56 Ų | 56 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 133.3 | 176.2 | -74.3 | -64.1 | -57.1 | 0 | 0 | 112 | T41 E43 P63 S124 W132 L157 R158 S161 | T41-M122 WeakPolarHBondContact O-CG 3.45Å; T41-M122 WeakPolarHBondContact OG1-CG 3.08Å; E43-M122 HydrophobicContact CG-SD 3.95Å; P63-M122 HydrophobicContact CB-CE 4.08Å; P63-M122 HydrophobicContact CB-SD 4.05Å; M122-S124 VanDerWaalsContact C-N 3.32Å; M122-W132 HydrophobicContact CE-CH2 3.81Å; M122-W132 HydrophobicContact CE-CZ2 3.67Å; M122-L157 HydrophobicContact CE-CB 3.55Å; M122-L157 HydrophobicContact CE-CD1 4.32Å; M122-R158 HydrophobicContact CB-CG 4.28Å; M122-R158 HydrophobicContact CE-CG 4.45Å; M122-S161 PolarHBondContact N-OG 3.44Å |
| 123 | G | 89.9 | Confident | 89 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -0.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E43 P121 C125 L126 S127 | E43-G123 WeakPolarHBondContact OE1-CA 3.32Å; E43-G123 PolarHBondContact OE1-N 2.91Å; P121-G123 PolarHBondContact O-N 3.36Å; G123-C125 VanDerWaalsContact C-N 3.29Å; G123-C125 PolarHBondContact O-N 3.25Å; G123-L126 WeakPolarHBondContact O-CB 3.32Å; G123-L126 PolarHBondContact O-N 3.43Å; G123-L126 VanDerWaalsContact O-N 3.13Å; G123-S127 PolarHBondContact O-N 3.16Å |
| 124 | S | 90.4 | Very high | 88.7 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 171.7 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | P121 M122 L126 S127 K128 | P121-S124 WeakPolarHBondContact CD-OG 3.38Å; P121-S124 VanDerWaalsContact O-CB 3.22Å; P121-S124 WeakPolarHBondContact O-CB 3.39Å; P121-S124 PolarHBondContact O-N 2.82Å; P121-S124 VanDerWaalsContact O-N 3.12Å; P121-S124 PolarHBondContact O-OG 3.13Å; M122-S124 VanDerWaalsContact C-N 3.32Å; S124-L126 VanDerWaalsContact C-N 3.34Å; S124-L126 PolarHBondContact O-N 2.99Å; S124-S127 PolarHBondContact O-N 3.31Å; S124-S127 PolarHBondContact O-OG 3.01Å; S124-K128 WeakPolarHBondContact O-CD 3.47Å; S124-K128 VanDerWaalsContact O-CG 3.28Å; S124-K128 WeakPolarHBondContact O-CG 3.46Å; S124-K128 PolarHBondContact O-N 3.22Å; S124-K128 VanDerWaalsContact O-N 3.15Å |
| 125 | C | 89.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.8 | -45.7 | 172.4 | -79.2 | 0 | 0 | 0 | 0 | 112.6 | E43 W61 Q120 G123 S127 K128 N129 T130 | E43-C125 WeakPolarHBondContact OE2-CB 3.35Å; E43-C125 PolarHBondContact OE2-N 3.19Å; E43-C125 PolarHBondContact OE2-SG 3.15Å; W61-C125 WeakPolarHBondContact CB-SG 3.29Å; Q120-C125 PolarHBondContact NE2-SG 2.87Å; G123-C125 VanDerWaalsContact C-N 3.29Å; G123-C125 PolarHBondContact O-N 3.25Å; C125-S127 PolarHBondContact O-N 3.19Å; C125-K128 CarbonylContact O-C 3.57Å; C125-K128 PolarHBondContact O-N 3.47Å; C125-K128 VanDerWaalsContact O-N 3.15Å; C125-N129 PolarHBondContact O-N 3.11Å; C125-T130 CarbonylContact C-O 3.59Å; C125-T130 VanDerWaalsContact CA-OG1 3.31Å; C125-T130 WeakPolarHBondContact CA-OG1 3.48Å; C125-T130 WeakPolarHBondContact CB-O 3.11Å; C125-T130 PolarHBondContact O-N 2.83Å; C125-T130 PolarHBondContact O-OG1 3.1Å; C125-T130 VanDerWaalsContact O-OG1 3.06Å |
| 126 | L | 87.2 | Confident | 88.2 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 36% | 0.361 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 178.3 | -176.3 | 65.7 | 0 | 0 | 0 | 111 | G123 S124 K128 N129 | G123-L126 WeakPolarHBondContact O-CB 3.32Å; G123-L126 PolarHBondContact O-N 3.43Å; G123-L126 VanDerWaalsContact O-N 3.13Å; S124-L126 VanDerWaalsContact C-N 3.34Å; S124-L126 PolarHBondContact O-N 2.99Å; L126-K128 PolarHBondContact O-N 3.41Å; L126-N129 PolarHBondContact O-N 2.6Å; L126-N129 VanDerWaalsContact O-N 3.14Å |
| 127 | S | 87.6 | Confident | 87.5 | Confident | 97 Ų | 97 | 56.5 Ų | 56.5 | 68% | 0.678 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64 | -21.8 | 176.6 | 76.2 | 0 | 0 | 0 | 0 | 114.2 | G123 S124 C125 | G123-S127 PolarHBondContact O-N 3.16Å; S124-S127 PolarHBondContact O-N 3.31Å; S124-S127 PolarHBondContact O-OG 3.01Å; C125-S127 PolarHBondContact O-N 3.19Å |
| 128 | K | 87.9 | Confident | 86.9 | Confident | 126 Ų | 126 | 50.4 Ų | 50.4 | 55% | 0.548 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 2.4 | 179.3 | -66.6 | 168.3 | -173.8 | 179.5 | 0 | 112.9 | S124 C125 L126 T130 | S124-K128 WeakPolarHBondContact O-CD 3.47Å; S124-K128 VanDerWaalsContact O-CG 3.28Å; S124-K128 WeakPolarHBondContact O-CG 3.46Å; S124-K128 PolarHBondContact O-N 3.22Å; S124-K128 VanDerWaalsContact O-N 3.15Å; C125-K128 CarbonylContact O-C 3.57Å; C125-K128 PolarHBondContact O-N 3.47Å; C125-K128 VanDerWaalsContact O-N 3.15Å; L126-K128 PolarHBondContact O-N 3.41Å; K128-T130 HydrophobicContact CB-CG2 4.28Å; K128-T130 PolarHBondContact O-N 3.17Å |
| 129 | N | 84 | Confident | 86.1 | Confident | 152 Ų | 152 | 50.4 Ų | 50.4 | 81% | 0.813 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.9 | -169.7 | -70.4 | -21.8 | 0 | 0 | 0 | 113.7 | C125 L126 | C125-N129 PolarHBondContact O-N 3.11Å; L126-N129 PolarHBondContact O-N 2.6Å; L126-N129 VanDerWaalsContact O-N 3.14Å |
| 130 | T | 84.3 | Confident | 85.2 | Confident | 61 Ų | 61 | 55.2 Ų | 55.2 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | trans | -108.8 | 125 | 175.3 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | C125 K128 Q149 | C125-T130 CarbonylContact C-O 3.59Å; C125-T130 VanDerWaalsContact CA-OG1 3.31Å; C125-T130 WeakPolarHBondContact CA-OG1 3.48Å; C125-T130 WeakPolarHBondContact CB-O 3.11Å; C125-T130 PolarHBondContact O-N 2.83Å; C125-T130 PolarHBondContact O-OG1 3.1Å; C125-T130 VanDerWaalsContact O-OG1 3.06Å; K128-T130 HydrophobicContact CB-CG2 4.28Å; K128-T130 PolarHBondContact O-N 3.17Å; T130-Q149 PolarHBondContact O-NE2 3.32Å | ||
| 131 | N | 83.5 | Confident | 84.1 | Confident | 111 Ų | 111 | 54.8 Ų | 54.8 | 59% | 0.594 | 31% | 0.309 | S | S | * | . | trans | -71.6 | 146.6 | 176.4 | -70.5 | -5.4 | 0 | 0 | 0 | 111.6 | ||||
| 132 | W | 88.2 | Confident | 82.8 | Confident | 16 Ų | 16 | 57 Ų | 57 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | trans | -66.5 | 141.4 | 170.4 | -65.2 | -27.2 | 0 | 0 | 0 | 110.6 | E43 W61 W62 P63 M122 W148 Q149 W153 A154 L157 | E43-W132 PolarHBondContact OE1-NE1 2.83Å; W61-W132 CarbonylContact O-C 3.53Å; W61-W132 VanDerWaalsContact O-CA 3.26Å; W61-W132 WeakPolarHBondContact O-CA 3.37Å; W62-W132 HydrophobicContact CE3-CB 3.71Å; W62-W132 HydrophobicContact CZ3-CB 3.84Å; P63-W132 HydrophobicContact CG-CD2 4.38Å; P63-W132 HydrophobicContact CG-CE3 4.1Å; P63-W132 HydrophobicContact CG-CH2 4.21Å; P63-W132 HydrophobicContact CG-CZ2 4.48Å; P63-W132 HydrophobicContact CG-CZ3 4.02Å; M122-W132 HydrophobicContact CE-CH2 3.81Å; M122-W132 HydrophobicContact CE-CZ2 3.67Å; W132-W148 HydrophobicContact CE3-CB 4.2Å; W132-Q149 HydrophobicContact CD2-CG 3.52Å; W132-Q149 HydrophobicContact CE3-CG 3.74Å; W132-Q149 HydrophobicContact CG-CG 3.88Å; W132-Q149 HydrophobicContact CH2-CG 4.5Å; W132-Q149 HydrophobicContact CZ2-CG 4.31Å; W132-Q149 HydrophobicContact CZ3-CG 4.23Å; W132-Q149 VanDerWaalsContact N-NE2 3.12Å; W132-W153 HydrophobicContact CE3-CZ3 4.33Å; W132-W153 HydrophobicContact CZ3-CE3 4.42Å; W132-W153 AromaticContact CZ3-CZ3 3.82Å; W132-W153 HydrophobicContact CZ3-CZ3 3.82Å; W132-A154 HydrophobicContact CH2-CB 3.68Å; W132-A154 HydrophobicContact CZ3-CB 3.68Å; W132-L157 HydrophobicContact CH2-CD1 4.39Å | ||
| 133 | T | 85.8 | Confident | 81 | Confident | 62 Ų | 62 | 62.8 Ų | 62.8 | 38% | 0.38 | 36% | 0.357 | S | S | . | . | trans | -135.9 | 114.6 | -176.2 | 30.1 | 0 | 0 | 0 | 0 | 109.5 | S60 W61 | S60-T133 VanDerWaalsContact CA-OG1 3.28Å; S60-T133 WeakPolarHBondContact CA-OG1 3.32Å; S60-T133 WeakPolarHBondContact CB-OG1 3.33Å; S60-T133 PolarHBondContact OG-O 3.2Å; W61-T133 PolarHBondContact O-N 3.08Å | ||
| 134 | P | 84.3 | Confident | 79.4 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 16% | 0.156 | 36% | 0.364 | C | S | . | . | trans | -68.9 | 139.4 | -167.6 | 26 | -33.5 | 0 | 0 | 0 | 112.2 | W62 I138 L141 | W62-P134 HydrophobicContact CD2-CB 4.07Å; W62-P134 HydrophobicContact CE3-CB 3.87Å; W62-P134 HydrophobicContact CH2-CB 4.28Å; W62-P134 HydrophobicContact CZ2-CB 4.46Å; W62-P134 HydrophobicContact CZ3-CB 3.99Å; W62-P134 HydrophobicContact CZ3-CG 4.28Å; P134-I138 HydrophobicContact CB-CG1 4.16Å; P134-L141 HydrophobicContact CB-CB 4.25Å; P134-L141 HydrophobicContact CG-CB 4.17Å | ||
| 135 | P | 83.2 | Confident | 77.6 | Confident | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.019 | 40% | 0.404 | C | S | . | . | trans | -64.7 | 160 | 175.8 | 23.5 | -31.1 | 0 | 0 | 0 | 112.2 | W78 Q137 I138 S139 | W78-P135 HydrophobicContact CD2-CG 3.65Å; W78-P135 HydrophobicContact CE3-CG 3.94Å; W78-P135 HydrophobicContact CG-CG 4.14Å; W78-P135 HydrophobicContact CH2-CB 4.47Å; W78-P135 HydrophobicContact CH2-CG 4.08Å; W78-P135 HydrophobicContact CZ2-CB 4.09Å; W78-P135 HydrophobicContact CZ2-CG 3.82Å; W78-P135 HydrophobicContact CZ3-CG 4.13Å; P135-Q137 PolarHBondContact O-N 3.13Å; P135-I138 HydrophobicContact CG-CD1 4.09Å; P135-I138 HydrophobicContact CG-CG1 3.79Å; P135-I138 CarbonylContact O-C 3.56Å; P135-I138 PolarHBondContact O-N 2.94Å; P135-S139 PolarHBondContact O-N 3.48Å | ||
| 136 | S | 79.7 | Confident | 76.2 | Confident | 82 Ų | 82 | 78 Ų | 78 | 57% | 0.573 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -43.7 | -42.4 | -176.5 | 31.7 | 0 | 0 | 0 | 0 | 115.3 | I138 S139 | S136-I138 VanDerWaalsContact C-N 3.25Å; S136-I138 PolarHBondContact O-N 2.96Å; S136-S139 VanDerWaalsContact O-CB 3.3Å; S136-S139 WeakPolarHBondContact O-CB 3.48Å; S136-S139 PolarHBondContact O-N 2.55Å; S136-S139 PolarHBondContact O-OG 2.72Å |
| 137 | Q | 76 | Confident | 75.3 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 43% | 0.425 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -60.6 | -31.9 | -179.2 | -65.6 | 86 | -33 | 0 | 0 | 113 | P135 | P135-Q137 PolarHBondContact O-N 3.13Š|
| 138 | I | 77 | Confident | 74.7 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -121.8 | 27.2 | 179.4 | 54.8 | 172.6 | 0 | 0 | 0 | 111.6 | W62 W78 I80 P134 P135 S136 H140 L141 | W62-I138 HydrophobicContact CG-CD1 4.5Å; W78-I138 HydrophobicContact CB-CD1 3.82Å; W78-I138 HydrophobicContact CG-CD1 4.34Å; I80-I138 HydrophobicContact CD1-CG2 3.9Å; I80-I138 HydrophobicContact CG1-CD1 4.46Å; I80-I138 HydrophobicContact CG1-CG2 4.23Å; P134-I138 HydrophobicContact CB-CG1 4.16Å; P135-I138 HydrophobicContact CG-CD1 4.09Å; P135-I138 HydrophobicContact CG-CG1 3.79Å; P135-I138 CarbonylContact O-C 3.56Å; P135-I138 PolarHBondContact O-N 2.94Å; S136-I138 VanDerWaalsContact C-N 3.25Å; S136-I138 PolarHBondContact O-N 2.96Å; I138-H140 PolarHBondContact O-N 2.89Å; I138-H140 VanDerWaalsContact O-N 3.13Å; I138-L141 HydrophobicContact CB-CD1 3.96Å; I138-L141 HydrophobicContact CB-CG 4.33Å; I138-L141 HydrophobicContact CD1-CD1 3.97Å; I138-L141 HydrophobicContact CG1-CD1 4.28Å; I138-L141 VanDerWaalsContact O-CB 3.31Å; I138-L141 WeakPolarHBondContact O-CB 3.42Å; I138-L141 VanDerWaalsContact O-CG 3.31Å; I138-L141 WeakPolarHBondContact O-CG 3.48Å; I138-L141 PolarHBondContact O-N 3.03Å |
| 139 | S | 74.5 | Confident | 74.3 | Confident | 60 Ų | 60 | 68.4 Ų | 68.4 | 42% | 0.42 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -58.7 | -23.3 | 178.3 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | P135 S136 L141 S142 | P135-S139 PolarHBondContact O-N 3.48Å; S136-S139 VanDerWaalsContact O-CB 3.3Å; S136-S139 WeakPolarHBondContact O-CB 3.48Å; S136-S139 PolarHBondContact O-N 2.55Å; S136-S139 PolarHBondContact O-OG 2.72Å; S139-L141 PolarHBondContact O-N 3.49Å; S139-S142 PolarHBondContact O-N 2.67Å; S139-S142 PolarHBondContact O-OG 3.02Å |
| 140 | H | 75.1 | Confident | 74 | Confident | 113 Ų | 113 | 67.2 Ų | 67.2 | 52% | 0.523 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -55.6 | -23.5 | 171.9 | 59.8 | -98.6 | 0 | 0 | 0 | 113.4 | I138 S142 | I138-H140 PolarHBondContact O-N 2.89Å; I138-H140 VanDerWaalsContact O-N 3.13Å; H140-S142 VanDerWaalsContact C-N 3.31Å; H140-S142 PolarHBondContact O-N 3.04Å |
| 141 | L | 71.5 | Confident | 74 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -72 | -15.8 | 175.8 | -58.7 | 178.8 | 0 | 0 | 0 | 114.3 | W62 I80 A84 P134 I138 S139 N143 | W62-L141 HydrophobicContact CH2-CD1 4.49Å; W62-L141 HydrophobicContact CZ2-CD1 3.88Å; I80-L141 HydrophobicContact CG2-CD1 4.5Å; A84-L141 HydrophobicContact CB-CD2 3.31Å; P134-L141 HydrophobicContact CB-CB 4.25Å; P134-L141 HydrophobicContact CG-CB 4.17Å; I138-L141 HydrophobicContact CB-CD1 3.96Å; I138-L141 HydrophobicContact CB-CG 4.33Å; I138-L141 HydrophobicContact CD1-CD1 3.97Å; I138-L141 HydrophobicContact CG1-CD1 4.28Å; I138-L141 VanDerWaalsContact O-CB 3.31Å; I138-L141 WeakPolarHBondContact O-CB 3.42Å; I138-L141 VanDerWaalsContact O-CG 3.31Å; I138-L141 WeakPolarHBondContact O-CG 3.48Å; I138-L141 PolarHBondContact O-N 3.03Å; S139-L141 PolarHBondContact O-N 3.49Å; L141-N143 VanDerWaalsContact C-N 3.26Å; L141-N143 PolarHBondContact O-N 3.08Å |
| 142 | S | 65.3 | Low | 74.1 | Confident | 73 Ų | 73 | 68 Ų | 68 | 51% | 0.51 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -75.8 | -12.5 | 179.7 | 65.7 | 0 | 0 | 0 | 0 | 114 | S139 H140 Q144 | S139-S142 PolarHBondContact O-N 2.67Å; S139-S142 PolarHBondContact O-OG 3.02Å; H140-S142 VanDerWaalsContact C-N 3.31Å; H140-S142 PolarHBondContact O-N 3.04Å; S142-Q144 VanDerWaalsContact C-N 3.29Å; S142-Q144 PolarHBondContact O-N 2.93Å |
| 143 | N | 56.5 | Low | 74.1 | Confident | 140 Ų | 140 | 69.8 Ų | 69.8 | 75% | 0.749 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -86.8 | 1.3 | -172.9 | -63.5 | -8 | 0 | 0 | 0 | 113.4 | L141 | L141-N143 VanDerWaalsContact C-N 3.26Å; L141-N143 PolarHBondContact O-N 3.08Å |
| 144 | Q | 56.2 | Low | 74.2 | Confident | 67 Ų | 67 | 66.9 Ų | 66.9 | 31% | 0.313 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -104 | 132.4 | 169.1 | -60.9 | -179.2 | -5.1 | 0 | 0 | 108.3 | S142 N146 W148 | S142-Q144 VanDerWaalsContact C-N 3.29Å; S142-Q144 PolarHBondContact O-N 2.93Å; Q144-N146 HydrophobicContact CB-CB 4.47Å; Q144-N146 PolarHBondContact O-N 2.85Å; Q144-N146 PolarHBondContact OE1-ND2 3.33Å; Q144-W148 HydrophobicContact CB-CZ2 4.43Å; Q144-W148 VanDerWaalsContact OE1-CH2 3.29Å |
| 145 | E | 52.1 | Low | 74.4 | Confident | 206 Ų | 206 | 68.6 Ų | 68.6 | 96% | 0.963 | 37% | 0.373 | S | S | * | . | trans | -71.3 | 27.3 | -179.8 | -59.6 | -170.9 | 133.5 | 0 | 0 | 113.8 | C147 | E145-C147 PolarHBondContact O-N 2.84Š| ||
| 146 | N | 59.5 | Low | 74.8 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 44% | 0.439 | 39% | 0.393 | S | S | . | . | trans | -80.6 | 117.3 | -173.9 | -74.2 | -28.7 | 0 | 0 | 0 | 111.1 | Q144 W148 | Q144-N146 HydrophobicContact CB-CB 4.47Å; Q144-N146 PolarHBondContact O-N 2.85Å; Q144-N146 PolarHBondContact OE1-ND2 3.33Å; N146-W148 HydrophobicContact CB-CD2 3.93Å; N146-W148 HydrophobicContact CB-CE3 4.3Å; N146-W148 HydrophobicContact CB-CG 4.42Å; N146-W148 HydrophobicContact CB-CH2 4.25Å; N146-W148 HydrophobicContact CB-CZ2 3.88Å; N146-W148 HydrophobicContact CB-CZ3 4.44Å; N146-W148 PolarHBondContact O-N 3.46Å | ||
| 147 | C | 68.9 | Low | 75.4 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | trans | -71.9 | 78.1 | 162.1 | -173 | 0 | 0 | 0 | 0 | 109.5 | E145 Q149 N150 | E145-C147 PolarHBondContact O-N 2.84Å; C147-Q149 PolarHBondContact O-N 3.14Å; C147-N150 PolarHBondContact O-N 3.01Å | ||
| 148 | W | 76.2 | Confident | 76.1 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 8% | 0.08 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -49.9 | -31.3 | -175.2 | -64.3 | 107.1 | 0 | 0 | 0 | 113.6 | W62 P81 W132 Q144 N146 N150 T151 W153 A154 | W62-W148 AromaticContact CH2-CD1 3.69Å; W62-W148 HydrophobicContact CH2-CG 4.03Å; P81-W148 HydrophobicContact CB-CE3 4.18Å; P81-W148 HydrophobicContact CB-CH2 4.07Å; P81-W148 HydrophobicContact CB-CZ3 3.59Å; P81-W148 HydrophobicContact CG-CD2 4.21Å; P81-W148 HydrophobicContact CG-CE3 3.64Å; P81-W148 HydrophobicContact CG-CH2 3.87Å; P81-W148 HydrophobicContact CG-CZ2 4.4Å; P81-W148 HydrophobicContact CG-CZ3 3.46Å; P81-W148 VanDerWaalsContact CG-CZ3 3.46Å; W132-W148 HydrophobicContact CE3-CB 4.2Å; Q144-W148 HydrophobicContact CB-CZ2 4.43Å; Q144-W148 VanDerWaalsContact OE1-CH2 3.29Å; N146-W148 HydrophobicContact CB-CD2 3.93Å; N146-W148 HydrophobicContact CB-CE3 4.3Å; N146-W148 HydrophobicContact CB-CG 4.42Å; N146-W148 HydrophobicContact CB-CH2 4.25Å; N146-W148 HydrophobicContact CB-CZ2 3.88Å; N146-W148 HydrophobicContact CB-CZ3 4.44Å; N146-W148 PolarHBondContact O-N 3.46Å; W148-N150 PolarHBondContact O-N 2.86Å; W148-T151 WeakPolarHBondContact O-CB 3.44Å; W148-T151 WeakPolarHBondContact O-CG2 3.29Å; W148-T151 PolarHBondContact O-N 2.92Å; W148-T151 PolarHBondContact O-OG1 3.23Å; W148-W153 HydrophobicContact CB-CZ3 4.34Å; W148-A154 WeakPolarHBondContact O-CB 3.34Å |
| 149 | Q | 78.7 | Confident | 76.8 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 3% | 0.033 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -58.9 | -30.4 | 177.7 | -69.4 | 179.8 | -8.5 | 0 | 0 | 113.5 | T130 W132 C147 T151 A154 R158 | T130-Q149 PolarHBondContact O-NE2 3.32Å; W132-Q149 HydrophobicContact CD2-CG 3.52Å; W132-Q149 HydrophobicContact CE3-CG 3.74Å; W132-Q149 HydrophobicContact CG-CG 3.88Å; W132-Q149 HydrophobicContact CH2-CG 4.5Å; W132-Q149 HydrophobicContact CZ2-CG 4.31Å; W132-Q149 HydrophobicContact CZ3-CG 4.23Å; W132-Q149 VanDerWaalsContact N-NE2 3.12Å; C147-Q149 PolarHBondContact O-N 3.14Å; Q149-T151 VanDerWaalsContact C-N 3.34Å; Q149-T151 PolarHBondContact O-N 3.32Å; Q149-A154 WeakPolarHBondContact O-CB 3.38Å; Q149-R158 PolarHBondContact O-NH2 3.22Å |
| 150 | N | 78.5 | Confident | 77.7 | Confident | 127 Ų | 127 | 72.2 Ų | 72.2 | 68% | 0.679 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -96.9 | 27.6 | -176.8 | -68 | -12.3 | 0 | 0 | 0 | 113.3 | C147 W148 | C147-N150 PolarHBondContact O-N 3.01Å; W148-N150 PolarHBondContact O-N 2.86Å |
| 151 | T | 84.1 | Confident | 78.6 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 27% | 0.27 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -107.1 | 157.7 | 179.7 | 64.8 | 0 | 0 | 0 | 0 | 112.7 | W148 Q149 W153 A154 S155 | W148-T151 WeakPolarHBondContact O-CB 3.44Å; W148-T151 WeakPolarHBondContact O-CG2 3.29Å; W148-T151 PolarHBondContact O-N 2.92Å; W148-T151 PolarHBondContact O-OG1 3.23Å; Q149-T151 VanDerWaalsContact C-N 3.34Å; Q149-T151 PolarHBondContact O-N 3.32Å; T151-W153 PolarHBondContact O-N 2.99Å; T151-A154 PolarHBondContact O-N 2.8Å; T151-A154 VanDerWaalsContact O-N 3.11Å; T151-A154 PolarHBondContact OG1-N 2.98Å; T151-A154 VanDerWaalsContact OG1-N 3.16Å; T151-S155 PolarHBondContact O-N 3.46Å; T151-S155 VanDerWaalsContact O-N 3.07Å; T151-S155 PolarHBondContact O-OG 3.1Å |
| 152 | D | 84.8 | Confident | 79.6 | Confident | 145 Ų | 145 | 68.5 Ų | 68.5 | 78% | 0.775 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.3 | -32.3 | 171.7 | -63.9 | -46.8 | 0 | 0 | 0 | 112.4 | S155 C156 | D152-S155 WeakPolarHBondContact O-CB 3.45Å; D152-S155 PolarHBondContact O-N 2.91Å; D152-C156 WeakPolarHBondContact O-CB 3.4Å; D152-C156 PolarHBondContact O-N 3.17Å |
| 153 | W | 88.3 | Confident | 80.7 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 21% | 0.205 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.7 | -50.1 | 170.9 | 175.4 | 83.3 | 0 | 0 | 0 | 111.3 | W62 P63 C79 P81 W132 W148 T151 S155 C156 L157 | W62-W153 HydrophobicContact CZ2-CH2 4.05Å; P63-W153 HydrophobicContact CG-CH2 3.93Å; P63-W153 HydrophobicContact CG-CZ3 4.4Å; C79-W153 HydrophobicContact CB-CH2 4.25Å; C79-W153 HydrophobicContact CB-CZ2 3.79Å; P81-W153 HydrophobicContact CB-CD2 4.37Å; P81-W153 HydrophobicContact CB-CZ2 4.48Å; P81-W153 HydrophobicContact CG-CD2 4.19Å; P81-W153 HydrophobicContact CG-CE3 4.25Å; P81-W153 HydrophobicContact CG-CH2 3.88Å; P81-W153 HydrophobicContact CG-CZ2 3.79Å; P81-W153 HydrophobicContact CG-CZ3 4.11Å; W132-W153 HydrophobicContact CE3-CZ3 4.33Å; W132-W153 HydrophobicContact CZ3-CE3 4.42Å; W132-W153 AromaticContact CZ3-CZ3 3.82Å; W132-W153 HydrophobicContact CZ3-CZ3 3.82Å; W148-W153 HydrophobicContact CB-CZ3 4.34Å; T151-W153 PolarHBondContact O-N 2.99Å; W153-S155 VanDerWaalsContact C-N 3.28Å; W153-S155 PolarHBondContact O-N 3.47Å; W153-C156 WeakPolarHBondContact O-CB 3.45Å; W153-C156 PolarHBondContact O-N 3.47Å; W153-C156 VanDerWaalsContact O-N 3.14Å; W153-L157 HydrophobicContact CD2-CD1 4.03Å; W153-L157 HydrophobicContact CE3-CD1 4Å; W153-L157 HydrophobicContact CH2-CD1 3.77Å; W153-L157 HydrophobicContact CZ2-CD1 3.8Å; W153-L157 HydrophobicContact CZ3-CD1 3.87Å; W153-L157 WeakPolarHBondContact O-CG 3.35Å; W153-L157 PolarHBondContact O-N 3.36Å |
| 154 | A | 87.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -32.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | W132 W148 Q149 T151 L157 R158 | W132-A154 HydrophobicContact CH2-CB 3.68Å; W132-A154 HydrophobicContact CZ3-CB 3.68Å; W148-A154 WeakPolarHBondContact O-CB 3.34Å; Q149-A154 WeakPolarHBondContact O-CB 3.38Å; T151-A154 PolarHBondContact O-N 2.8Å; T151-A154 VanDerWaalsContact O-N 3.11Å; T151-A154 PolarHBondContact OG1-N 2.98Å; T151-A154 VanDerWaalsContact OG1-N 3.16Å; A154-L157 PolarHBondContact O-N 2.93Å; A154-R158 WeakPolarHBondContact O-CG 3.5Å; A154-R158 PolarHBondContact O-N 3.47Å; A154-R158 PolarHBondContact O-NH1 2.86Å |
| 155 | S | 88.8 | Confident | 83.7 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 42% | 0.42 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.9 | -38 | 172.8 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | T151 D152 W153 L157 R158 S159 | T151-S155 PolarHBondContact O-N 3.46Å; T151-S155 VanDerWaalsContact O-N 3.07Å; T151-S155 PolarHBondContact O-OG 3.1Å; D152-S155 WeakPolarHBondContact O-CB 3.45Å; D152-S155 PolarHBondContact O-N 2.91Å; W153-S155 VanDerWaalsContact C-N 3.28Å; W153-S155 PolarHBondContact O-N 3.47Å; S155-L157 VanDerWaalsContact C-N 3.32Å; S155-R158 PolarHBondContact O-N 2.86Å; S155-R158 PolarHBondContact OG-NH1 3.49Å; S155-S159 PolarHBondContact O-N 2.94Å; S155-S159 PolarHBondContact O-OG 3.29Å |
| 156 | C | 91 | Very high | 85.5 | Confident | 67 Ų | 67 | 51.7 Ų | 51.7 | 45% | 0.453 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70 | -23.4 | 173.5 | -174.7 | 0 | 0 | 0 | 0 | 113.6 | D152 W153 S159 R160 | D152-C156 WeakPolarHBondContact O-CB 3.4Å; D152-C156 PolarHBondContact O-N 3.17Å; W153-C156 WeakPolarHBondContact O-CB 3.45Å; W153-C156 PolarHBondContact O-N 3.47Å; W153-C156 VanDerWaalsContact O-N 3.14Å; C156-S159 PolarHBondContact O-OG 3.43Å; C156-R160 PolarHBondContact O-NE 3.08Å; C156-R160 VanDerWaalsContact O-NE 3.07Å |
| 157 | L | 92.7 | Very high | 87.1 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75 | -50.5 | 166.5 | -60.8 | 173.5 | 0 | 0 | 0 | 110.5 | T41 P63 C79 M122 W132 W153 A154 S155 S159 R160 S161 | T41-L157 HydrophobicContact CG2-CD2 3.87Å; T41-L157 PolarHBondContact OG1-O 2.98Å; P63-L157 HydrophobicContact CB-CD1 3.83Å; P63-L157 HydrophobicContact CG-CD1 3.82Å; C79-L157 HydrophobicContact CB-CD1 4.28Å; C79-L157 HydrophobicContact CB-CD2 4.25Å; M122-L157 HydrophobicContact CE-CB 3.55Å; M122-L157 HydrophobicContact CE-CD1 4.32Å; W132-L157 HydrophobicContact CH2-CD1 4.39Å; W153-L157 HydrophobicContact CD2-CD1 4.03Å; W153-L157 HydrophobicContact CE3-CD1 4Å; W153-L157 HydrophobicContact CH2-CD1 3.77Å; W153-L157 HydrophobicContact CZ2-CD1 3.8Å; W153-L157 HydrophobicContact CZ3-CD1 3.87Å; W153-L157 WeakPolarHBondContact O-CG 3.35Å; W153-L157 PolarHBondContact O-N 3.36Å; A154-L157 PolarHBondContact O-N 2.93Å; S155-L157 VanDerWaalsContact C-N 3.32Å; L157-S159 VanDerWaalsContact C-N 3.32Å; L157-S159 PolarHBondContact O-N 3.04Å; L157-R160 CarbonylContact O-C 3.56Å; L157-R160 VanDerWaalsContact O-C 3.28Å; L157-R160 WeakPolarHBondContact O-CA 3.48Å; L157-R160 PolarHBondContact O-N 3.11Å; L157-S161 PolarHBondContact O-N 2.96Å |
| 158 | R | 91.7 | Very high | 88 | Confident | 64 Ų | 64 | 51.4 Ų | 51.4 | 24% | 0.242 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.5 | -37 | -179.6 | -71.9 | -177.7 | -155.3 | 97.6 | 1.3 | 114.1 | M122 Q149 A154 S155 R160 S161 | M122-R158 HydrophobicContact CB-CG 4.28Å; M122-R158 HydrophobicContact CE-CG 4.45Å; Q149-R158 PolarHBondContact O-NH2 3.22Å; A154-R158 WeakPolarHBondContact O-CG 3.5Å; A154-R158 PolarHBondContact O-N 3.47Å; A154-R158 PolarHBondContact O-NH1 2.86Å; S155-R158 PolarHBondContact O-N 2.86Å; S155-R158 PolarHBondContact OG-NH1 3.49Å; R158-R160 PolarHBondContact O-N 2.91Å; R158-S161 WeakPolarHBondContact O-CB 3.46Å; R158-S161 PolarHBondContact O-N 3.46Å; R158-S161 VanDerWaalsContact O-N 3.08Å |
| 159 | S | 91.3 | Very high | 88.5 | Confident | 95 Ų | 95 | 56.4 Ų | 56.4 | 66% | 0.664 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -15.4 | 175.2 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | S155 C156 L157 | S155-S159 PolarHBondContact O-N 2.94Å; S155-S159 PolarHBondContact O-OG 3.29Å; C156-S159 PolarHBondContact O-OG 3.43Å; L157-S159 VanDerWaalsContact C-N 3.32Å; L157-S159 PolarHBondContact O-N 3.04Å |
| 160 | R | 93.2 | Very high | 89.1 | Confident | 83 Ų | 83 | 59.9 Ų | 59.9 | 31% | 0.313 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 28 | 174 | -56.6 | -174.4 | -69.2 | 144.1 | -16.2 | 111.8 | G39 E40 T41 E65 C156 L157 R158 | G39-R160 PolarHBondContact O-NH1 3.18Å; E40-R160 CarbonylContact C-O 3.58Å; E40-R160 VanDerWaalsContact CA-O 3.26Å; E40-R160 WeakPolarHBondContact CA-O 3.24Å; T41-R160 HydrophobicContact CG2-CB 4.49Å; T41-R160 PolarHBondContact N-O 2.86Å; T41-R160 PolarHBondContact OG1-O 3.34Å; E65-R160 IonicContact OE1-CZ 3.26Å; E65-R160 IonicContact OE1-NH1 3.03Å; E65-R160 PolarHBondContact OE1-NH1 3.33Å; E65-R160 IonicContact OE1-NH2 3.38Å; C156-R160 PolarHBondContact O-NE 3.08Å; C156-R160 VanDerWaalsContact O-NE 3.07Å; L157-R160 CarbonylContact O-C 3.56Å; L157-R160 VanDerWaalsContact O-C 3.28Å; L157-R160 WeakPolarHBondContact O-CA 3.48Å; L157-R160 PolarHBondContact O-N 3.11Å; R158-R160 PolarHBondContact O-N 2.91Å |
| 161 | S | 94.2 | Very high | 89.6 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -62.7 | 137.8 | 175 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | T41 M122 L157 R158 | T41-S161 WeakPolarHBondContact O-CA 3.13Å; M122-S161 PolarHBondContact N-OG 3.44Å; L157-S161 PolarHBondContact O-N 2.96Å; R158-S161 WeakPolarHBondContact O-CB 3.46Å; R158-S161 PolarHBondContact O-N 3.46Å; R158-S161 VanDerWaalsContact O-N 3.08Å |
| 162 | V | 92.6 | Very high | 90 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -55 | 142.1 | 163 | 174.7 | 0 | 0 | 0 | 0 | 110 | V36 E40 T41 L42 V66 F166 F167 | V36-V162 HydrophobicContact CG1-CG1 4.48Å; V36-V162 HydrophobicContact CG1-CG2 3.95Å; V36-V162 HydrophobicContact CG2-CG1 3.88Å; E40-V162 HydrophobicContact CB-CG2 3.74Å; T41-V162 PolarHBondContact O-N 3.19Å; L42-V162 HydrophobicContact CB-CG2 4.4Å; L42-V162 HydrophobicContact CD2-CG2 3.87Å; V66-V162 HydrophobicContact CG2-CG2 4.49Å; V162-F166 HydrophobicContact CG1-CB 3.89Å; V162-F166 HydrophobicContact CG1-CD1 3.95Å; V162-F166 HydrophobicContact CG1-CG 3.97Å; V162-F167 HydrophobicContact CB-CE2 3.84Å; V162-F167 HydrophobicContact CB-CZ 4.14Å; V162-F167 HydrophobicContact CG1-CE2 3.73Å; V162-F167 HydrophobicContact CG1-CZ 4.19Å |
| 163 | C | 87.7 | Confident | 90.4 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 18% | 0.176 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 136 | -179.5 | 173.8 | 0 | 0 | 0 | 0 | 112.5 | T165 F166 D288 | C163-T165 PolarHBondContact O-N 3.24Å; C163-T165 VanDerWaalsContact O-N 3.13Å; C163-F166 VanDerWaalsContact O-CB 3.28Å; C163-F166 WeakPolarHBondContact O-CB 3.29Å; C163-F166 PolarHBondContact O-N 3.01Å; C163-F166 VanDerWaalsContact O-N 3.07Å; C163-D288 PolarHBondContact SG-OD1 3.41Å |
| 164 | N | 88.3 | Confident | 90.5 | Very high | 90 Ų | 90 | 43 Ų | 43 | 48% | 0.481 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.2 | -31.9 | -179.3 | -73.8 | -16.6 | 0 | 0 | 0 | 113.5 | F166 F167 D168 | N164-F166 PolarHBondContact O-N 3.32Å; N164-F166 VanDerWaalsContact O-N 3.16Å; N164-F167 PolarHBondContact O-N 3.43Å; N164-D168 PolarHBondContact O-N 3.02Å |
| 165 | T | 86.8 | Confident | 90.6 | Very high | 17 Ų | 17 | 43.6 Ų | 43.6 | 10% | 0.104 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.7 | -34.2 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | L35 C163 F167 R169 C171 T177 | L35-T165 HydrophobicContact CD1-CG2 4.37Å; C163-T165 PolarHBondContact O-N 3.24Å; C163-T165 VanDerWaalsContact O-N 3.13Å; T165-F167 PolarHBondContact O-N 3.2Å; T165-R169 WeakPolarHBondContact O-CB 3.46Å; T165-R169 PolarHBondContact O-N 3.3Å; T165-C171 PolarHBondContact O-SG 3.04Å; T165-T177 HydrophobicContact CG2-CG2 4.35Å |
| 166 | F | 91.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.2 | -49.2 | 172.8 | 174.4 | -99.8 | 0 | 0 | 0 | 111.4 | V36 I74 F109 V111 W116 V162 C163 N164 R170 C171 L172 | V36-F166 HydrophobicContact CG2-CD1 4.43Å; V36-F166 HydrophobicContact CG2-CD2 3.28Å; V36-F166 HydrophobicContact CG2-CE1 4.49Å; V36-F166 HydrophobicContact CG2-CE2 3.38Å; V36-F166 HydrophobicContact CG2-CG 3.87Å; V36-F166 HydrophobicContact CG2-CZ 4Å; I74-F166 HydrophobicContact CD1-CE2 4.21Å; I74-F166 HydrophobicContact CD1-CZ 3.97Å; F109-F166 HydrophobicContact CE1-CE1 4.49Å; F109-F166 HydrophobicContact CE1-CZ 4.14Å; V111-F166 HydrophobicContact CG1-CE2 4.32Å; V111-F166 HydrophobicContact CG2-CE2 4.03Å; V111-F166 HydrophobicContact CG2-CZ 3.93Å; W116-F166 AromaticContact CH2-CD1 3.94Å; W116-F166 HydrophobicContact CH2-CD1 3.94Å; W116-F166 AromaticContact CH2-CE1 3.65Å; W116-F166 HydrophobicContact CH2-CE1 3.65Å; W116-F166 HydrophobicContact CH2-CG 4.5Å; W116-F166 AromaticContact CH2-CZ 3.97Å; W116-F166 HydrophobicContact CH2-CZ 3.97Å; W116-F166 WeakPolarHBondContact CH2-O 3.34Å; W116-F166 HydrophobicContact CZ3-CD1 4.44Å; W116-F166 AromaticContact CZ3-CE1 3.72Å; W116-F166 HydrophobicContact CZ3-CE1 3.72Å; W116-F166 HydrophobicContact CZ3-CE2 4.38Å; W116-F166 AromaticContact CZ3-CZ 3.68Å; W116-F166 HydrophobicContact CZ3-CZ 3.68Å; V162-F166 HydrophobicContact CG1-CB 3.89Å; V162-F166 HydrophobicContact CG1-CD1 3.95Å; V162-F166 HydrophobicContact CG1-CG 3.97Å; C163-F166 VanDerWaalsContact O-CB 3.28Å; C163-F166 WeakPolarHBondContact O-CB 3.29Å; C163-F166 PolarHBondContact O-N 3.01Å; C163-F166 VanDerWaalsContact O-N 3.07Å; N164-F166 PolarHBondContact O-N 3.32Å; N164-F166 VanDerWaalsContact O-N 3.16Å; F166-R170 VanDerWaalsContact O-CA 3.26Å; F166-R170 WeakPolarHBondContact O-CA 3.35Å; F166-R170 PolarHBondContact O-N 3.47Å; F166-C171 WeakPolarHBondContact CD2-O 3.29Å; F166-L172 HydrophobicContact CE2-CB 4.44Å; F166-L172 HydrophobicContact CE2-CD1 4.09Å |
| 167 | F | 92.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 39.8 Ų | 39.8 | 11% | 0.114 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -76.1 | -43.9 | -176.8 | -56.9 | -87.3 | 0 | 0 | 0 | 112.4 | L42 V119 P121 V162 N164 T165 R169 | L42-F167 HydrophobicContact CB-CZ 3.92Å; V119-F167 HydrophobicContact CB-CE1 4.34Å; V119-F167 HydrophobicContact CG2-CD1 4.45Å; V119-F167 HydrophobicContact CG2-CE1 4.17Å; P121-F167 HydrophobicContact CB-CD2 4.32Å; P121-F167 HydrophobicContact CB-CE2 4.18Å; P121-F167 HydrophobicContact CG-CB 4.24Å; P121-F167 HydrophobicContact CG-CD1 4.35Å; P121-F167 HydrophobicContact CG-CD2 3.58Å; P121-F167 HydrophobicContact CG-CE2 3.91Å; P121-F167 HydrophobicContact CG-CG 3.81Å; P121-F167 HydrophobicContact CG-CZ 4.43Å; V162-F167 HydrophobicContact CB-CE2 3.84Å; V162-F167 HydrophobicContact CB-CZ 4.14Å; V162-F167 HydrophobicContact CG1-CE2 3.73Å; V162-F167 HydrophobicContact CG1-CZ 4.19Å; N164-F167 PolarHBondContact O-N 3.43Å; T165-F167 PolarHBondContact O-N 3.2Å; F167-R169 PolarHBondContact O-N 3.29Å; F167-R169 VanDerWaalsContact O-N 3.17Å |
| 168 | D | 88.6 | Confident | 90.7 | Very high | 110 Ų | 110 | 39.9 Ų | 39.9 | 59% | 0.588 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -65.4 | -18.8 | -177.4 | -73.9 | -21.1 | 0 | 0 | 0 | 114.2 | N164 | N164-D168 PolarHBondContact O-N 3.02Å |
| 169 | R | 85.6 | Confident | 90.7 | Very high | 126 Ų | 126 | 41.7 Ų | 41.7 | 48% | 0.475 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -131.8 | -9 | -172.6 | -59.6 | -63.6 | 173.1 | -129.8 | 1.4 | 115.1 | T165 F167 C171 Y280 | T165-R169 WeakPolarHBondContact O-CB 3.46Å; T165-R169 PolarHBondContact O-N 3.3Å; F167-R169 PolarHBondContact O-N 3.29Å; F167-R169 VanDerWaalsContact O-N 3.17Å; R169-C171 HydrophobicContact CB-CB 4.4Å; R169-C171 VanDerWaalsContact CB-SG 3.58Å; R169-C171 PolarHBondContact O-N 3.09Å; R169-Y280 VanDerWaalsContact CD-CE2 3.49Å; R169-Y280 VanDerWaalsContact CD-CZ 3.49Å; R169-Y280 HydrophobicContact CG-CD2 3.82Å; R169-Y280 HydrophobicContact CG-CE2 3.84Å; R169-Y280 HydrophobicContact CG-CG 4.28Å |
| 170 | R | 91.5 | Very high | 90.8 | Very high | 80 Ų | 80 | 41.2 Ų | 41.2 | 30% | 0.302 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 36 | -176.5 | -166 | 167.3 | 179.5 | 178.4 | 1 | 112.7 | V111 K112 G113 W116 F166 | V111-R170 VanDerWaalsContact O-CZ 3.3Å; V111-R170 PolarHBondContact O-NE 2.75Å; V111-R170 PolarHBondContact O-NH2 3.11Å; K112-R170 VanDerWaalsContact CA-NH2 3.35Å; K112-R170 PolarHBondContact NZ-O 2.88Å; K112-R170 PolarHBondContact O-NH2 3.06Å; K112-R170 VanDerWaalsContact O-NH2 3.16Å; G113-R170 PolarHBondContact O-NH2 3.44Å; W116-R170 VanDerWaalsContact CB-CZ 3.44Å; W116-R170 HydrophobicContact CD2-CB 4.47Å; W116-R170 HydrophobicContact CD2-CG 3.68Å; W116-R170 HydrophobicContact CE3-CG 3.79Å; W116-R170 HydrophobicContact CG-CG 4.37Å; W116-R170 HydrophobicContact CH2-CB 4.11Å; W116-R170 HydrophobicContact CH2-CG 3.93Å; W116-R170 HydrophobicContact CZ2-CB 3.71Å; W116-R170 HydrophobicContact CZ2-CG 3.75Å; W116-R170 HydrophobicContact CZ3-CG 3.94Å; F166-R170 VanDerWaalsContact O-CA 3.26Å; F166-R170 WeakPolarHBondContact O-CA 3.35Å; F166-R170 PolarHBondContact O-N 3.47Å |
| 171 | C | 89.7 | Confident | 90.8 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | trans | -103.9 | 130.9 | 177.8 | 53 | 0 | 0 | 0 | 0 | 110.4 | L35 T165 F166 R169 E176 | L35-C171 HydrophobicContact CD1-CB 4.21Å; L35-C171 WeakPolarHBondContact CD1-SG 3.44Å; T165-C171 PolarHBondContact O-SG 3.04Å; F166-C171 WeakPolarHBondContact CD2-O 3.29Å; R169-C171 HydrophobicContact CB-CB 4.4Å; R169-C171 VanDerWaalsContact CB-SG 3.58Å; R169-C171 PolarHBondContact O-N 3.09Å; C171-E176 WeakPolarHBondContact CA-OE2 3.36Å; C171-E176 HydrophobicContact CB-CB 3.4Å; C171-E176 VanDerWaalsContact CB-CB 3.4Å; C171-E176 HydrophobicContact CB-CG 4.49Å | ||
| 172 | L | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -97.7 | -36.9 | 171.2 | 176 | 59.8 | 0 | 0 | 0 | 111.3 | T34 L35 V36 V69 G71 Y72 I74 V111 F166 E176 | T34-L172 CarbonylContact C-O 3.52Å; T34-L172 VanDerWaalsContact CA-O 3.32Å; T34-L172 WeakPolarHBondContact CA-O 3.16Å; T34-L172 HydrophobicContact CG2-CD1 4.19Å; T34-L172 HydrophobicContact CG2-CG 4.18Å; L35-L172 PolarHBondContact N-O 2.75Å; V36-L172 HydrophobicContact CB-CD1 4.07Å; V36-L172 HydrophobicContact CG2-CD1 3.78Å; V69-L172 HydrophobicContact CG1-CD1 4.17Å; V69-L172 HydrophobicContact CG1-CD2 3.87Å; V69-L172 HydrophobicContact CG1-CG 4.47Å; G71-L172 WeakPolarHBondContact O-CD2 2.99Å; Y72-L172 HydrophobicContact CD1-CB 4.27Å; Y72-L172 HydrophobicContact CD1-CD2 4.07Å; Y72-L172 HydrophobicContact CE1-CB 4.46Å; I74-L172 HydrophobicContact CD1-CD1 4.21Å; V111-L172 HydrophobicContact CG1-CB 4.33Å; V111-L172 HydrophobicContact CG2-CD2 4.35Å; F166-L172 HydrophobicContact CE2-CB 4.44Å; F166-L172 HydrophobicContact CE2-CD1 4.09Å; L172-E176 PolarHBondContact N-OE2 3.28Å | ||
| 173 | Y | 92.7 | Very high | 90.9 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -101.5 | 151.4 | -174.2 | -63.1 | -66.8 | 0 | 0 | 0 | 113 | F32 T34 G71 Y72 F175 E176 F624 | F32-Y173 HydrophobicContact CB-CD1 4.29Å; F32-Y173 HydrophobicContact CB-CE1 4.44Å; F32-Y173 HydrophobicContact CD1-CD1 4.4Å; F32-Y173 HydrophobicContact CD1-CE1 4.08Å; F32-Y173 WeakPolarHBondContact O-CD1 3.34Å; T34-Y173 HydrophobicContact CG2-CD1 3.82Å; T34-Y173 HydrophobicContact CG2-CE1 3.62Å; G71-Y173 VanDerWaalsContact C-OH 3.23Å; G71-Y173 VanDerWaalsContact CA-OH 3.27Å; G71-Y173 WeakPolarHBondContact CA-OH 3.39Å; G71-Y173 PolarHBondContact O-OH 3.5Å; G71-Y173 VanDerWaalsContact O-OH 3.12Å; Y72-Y173 HydrophobicContact CD1-CD2 4.44Å; Y72-Y173 AromaticContact CD1-CE2 3.99Å; Y72-Y173 HydrophobicContact CD1-CE2 3.99Å; Y72-Y173 AromaticContact CE1-CD2 3.63Å; Y72-Y173 HydrophobicContact CE1-CD2 3.63Å; Y72-Y173 AromaticContact CE1-CE2 3.5Å; Y72-Y173 HydrophobicContact CE1-CE2 3.5Å; Y72-Y173 HydrophobicContact CE2-CE2 4.3Å; Y72-Y173 AromaticContact CZ-CD2 3.89Å; Y72-Y173 AromaticContact CZ-CE2 3.68Å; Y173-F175 VanDerWaalsContact C-N 3.26Å; Y173-F175 AromaticContact CD2-CE1 3.87Å; Y173-F175 HydrophobicContact CD2-CE1 3.87Å; Y173-F175 HydrophobicContact CD2-CZ 4.1Å; Y173-F175 HydrophobicContact CG-CD1 4.4Å; Y173-F175 AromaticContact CG-CE1 3.82Å; Y173-F175 HydrophobicContact CG-CE1 3.82Å; Y173-F175 HydrophobicContact CG-CZ 4.44Å; Y173-F175 PolarHBondContact O-N 3.1Å; Y173-E176 PolarHBondContact N-OE2 3.26Å; Y173-E176 WeakPolarHBondContact O-CB 3.34Å; Y173-E176 PolarHBondContact O-N 3.12Å; Y173-F624 HydrophobicContact CD2-CE1 4.49Å; Y173-F624 AromaticContact CE2-CE1 3.87Å; Y173-F624 HydrophobicContact CE2-CE1 3.87Å; Y173-F624 AromaticContact CE2-CZ 3.72Å; Y173-F624 HydrophobicContact CE2-CZ 3.72Å; Y173-F624 AromaticContact CZ-CZ 3.99Å |
| 174 | T | 89.5 | Confident | 91.2 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -55.5 | -39.3 | 178.1 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | S31 E33 E176 T177 Y235 I295 | S31-T174 PolarHBondContact O-N 3.4Å; E33-T174 PolarHBondContact O-N 2.91Å; E33-T174 PolarHBondContact O-OG1 3.45Å; T174-E176 PolarHBondContact O-N 2.96Å; T174-T177 WeakPolarHBondContact O-CB 3.48Å; T174-T177 PolarHBondContact O-N 3.47Å; T174-T177 VanDerWaalsContact O-N 3.13Å; T174-T177 PolarHBondContact O-OG1 3.23Å; T174-Y235 WeakPolarHBondContact CG2-OH 3.44Å; T174-I295 HydrophobicContact CG2-CD1 3.59Å; T174-I295 HydrophobicContact CG2-CG1 3.88Å |
| 175 | F | 91.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 5% | 0.053 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -64.4 | -23.2 | 177.5 | 74.5 | -103 | 0 | 0 | 0 | 114.4 | S31 F32 Y173 T177 I178 N203 Y235 V625 | S31-F175 WeakPolarHBondContact O-CD1 3.42Å; S31-F175 PolarHBondContact O-N 2.71Å; F32-F175 HydrophobicContact CD2-CD1 4.44Å; F32-F175 HydrophobicContact CD2-CE1 4.37Å; F32-F175 HydrophobicContact CE2-CD1 4.48Å; F32-F175 HydrophobicContact CE2-CE1 4.16Å; F32-F175 HydrophobicContact CZ-CE1 4.39Å; Y173-F175 VanDerWaalsContact C-N 3.26Å; Y173-F175 AromaticContact CD2-CE1 3.87Å; Y173-F175 HydrophobicContact CD2-CE1 3.87Å; Y173-F175 HydrophobicContact CD2-CZ 4.1Å; Y173-F175 HydrophobicContact CG-CD1 4.4Å; Y173-F175 AromaticContact CG-CE1 3.82Å; Y173-F175 HydrophobicContact CG-CE1 3.82Å; Y173-F175 HydrophobicContact CG-CZ 4.44Å; Y173-F175 PolarHBondContact O-N 3.1Å; F175-T177 VanDerWaalsContact C-N 3.27Å; F175-T177 PolarHBondContact O-N 2.98Å; F175-I178 WeakPolarHBondContact O-CD1 3.47Å; F175-I178 WeakPolarHBondContact O-CG1 3.29Å; F175-I178 PolarHBondContact O-N 3.06Å; F175-N203 PolarHBondContact O-ND2 2.69Å; F175-Y235 HydrophobicContact CB-CE1 4.19Å; F175-V625 HydrophobicContact CZ-CG1 4.41Å |
| 176 | E | 92.3 | Very high | 91.8 | Very high | 41 Ų | 41 | 32.4 Ų | 32.4 | 19% | 0.192 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -77.8 | -13.5 | 178.3 | -62.4 | -175.7 | 102.3 | 0 | 0 | 112.4 | K112 C171 L172 Y173 T174 I178 | K112-E176 WeakPolarHBondContact CE-OE1 3.38Å; K112-E176 IonicContact NZ-OE1 2.92Å; K112-E176 PolarHBondContact NZ-OE1 3.08Å; K112-E176 IonicContact NZ-OE2 3.83Å; C171-E176 WeakPolarHBondContact CA-OE2 3.36Å; C171-E176 HydrophobicContact CB-CB 3.4Å; C171-E176 VanDerWaalsContact CB-CB 3.4Å; C171-E176 HydrophobicContact CB-CG 4.49Å; L172-E176 PolarHBondContact N-OE2 3.28Å; Y173-E176 PolarHBondContact N-OE2 3.26Å; Y173-E176 WeakPolarHBondContact O-CB 3.34Å; Y173-E176 PolarHBondContact O-N 3.12Å; T174-E176 PolarHBondContact O-N 2.96Å; E176-I178 PolarHBondContact O-N 3.01Å |
| 177 | T | 89.6 | Confident | 91.9 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -71.8 | -5.6 | 173 | 70.2 | 0 | 0 | 0 | 0 | 113.5 | L35 T165 T174 F175 R179 Y280 | L35-T177 HydrophobicContact CD1-CG2 3.66Å; L35-T177 HydrophobicContact CD2-CG2 4.03Å; L35-T177 HydrophobicContact CG-CG2 4.38Å; T165-T177 HydrophobicContact CG2-CG2 4.35Å; T174-T177 WeakPolarHBondContact O-CB 3.48Å; T174-T177 PolarHBondContact O-N 3.47Å; T174-T177 VanDerWaalsContact O-N 3.13Å; T174-T177 PolarHBondContact O-OG1 3.23Å; F175-T177 VanDerWaalsContact C-N 3.27Å; F175-T177 PolarHBondContact O-N 2.98Å; T177-R179 PolarHBondContact O-N 3.34Å; T177-Y280 WeakPolarHBondContact O-CD2 2.97Å; T177-Y280 PolarHBondContact O-N 2.54Å |
| 178 | I | 91.5 | Very high | 91.9 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -83.9 | 109.3 | -176.5 | -52.2 | 166.7 | 0 | 0 | 0 | 110.3 | F175 E176 V180 F184 V200 V208 Y235 A278 | F175-I178 WeakPolarHBondContact O-CD1 3.47Å; F175-I178 WeakPolarHBondContact O-CG1 3.29Å; F175-I178 PolarHBondContact O-N 3.06Å; E176-I178 PolarHBondContact O-N 3.01Å; I178-V180 PolarHBondContact O-N 2.91Å; I178-F184 HydrophobicContact CG2-CE2 3.9Å; I178-F184 HydrophobicContact CG2-CZ 4Å; I178-V200 HydrophobicContact CG2-CG1 4.36Å; I178-V200 HydrophobicContact CG2-CG2 4.17Å; I178-V208 HydrophobicContact CD1-CG1 4.27Å; I178-V208 HydrophobicContact CG2-CG1 4Å; I178-Y235 HydrophobicContact CD1-CD1 3.63Å; I178-Y235 HydrophobicContact CD1-CD2 3.87Å; I178-Y235 HydrophobicContact CD1-CE1 4.21Å; I178-Y235 HydrophobicContact CD1-CE2 4.43Å; I178-Y235 HydrophobicContact CD1-CG 3.42Å; I178-Y235 VanDerWaalsContact CD1-CG 3.42Å; I178-Y235 HydrophobicContact CG1-CG 4.49Å; I178-A278 CarbonylContact C-O 3.58Å; I178-A278 VanDerWaalsContact CA-O 3.25Å; I178-A278 WeakPolarHBondContact CA-O 3.34Å |
| 179 | R | 91.4 | Very high | 91.9 | Very high | 101 Ų | 101 | 31 Ų | 31 | 38% | 0.381 | 15% | 0.147 | S | C | . | . | trans | -74.9 | 112.5 | -179.8 | -176.8 | 175.5 | -174.7 | 162.8 | 5.4 | 112.3 | T177 G181 G182 C276 A278 Y280 | T177-R179 PolarHBondContact O-N 3.34Å; R179-G181 PolarHBondContact O-N 3.28Å; R179-G182 PolarHBondContact O-N 3.02Å; R179-C276 WeakPolarHBondContact CD-SG 3.13Å; R179-C276 PolarHBondContact NH1-SG 3.16Å; R179-A278 PolarHBondContact N-O 2.88Å; R179-Y280 HydrophobicContact CB-CE1 4.17Å; R179-Y280 HydrophobicContact CB-CE2 4.03Å; R179-Y280 HydrophobicContact CG-CE1 4.25Å; R179-Y280 WeakPolarHBondContact CG-OH 3.34Å | ||
| 180 | V | 93.7 | Very high | 92.2 | Very high | 85 Ų | 85 | 28.4 Ų | 28.4 | 52% | 0.515 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 130.2 | 161.8 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | I178 V200 L201 N203 | I178-V180 PolarHBondContact O-N 2.91Å; V180-V200 HydrophobicContact CG2-CG1 4.35Å; V180-L201 VanDerWaalsContact CG1-O 3.3Å; V180-L201 WeakPolarHBondContact CG1-O 3.22Å; V180-N203 HydrophobicContact CG2-CB 4.43Å |
| 181 | G | 94.1 | Very high | 92.3 | Very high | 30 Ų | 30 | 25.8 Ų | 25.8 | 31% | 0.309 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -12.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R179 K199 V200 | R179-G181 PolarHBondContact O-N 3.28Å; G181-K199 WeakPolarHBondContact O-CE 3.48Å; G181-V200 WeakPolarHBondContact CA-O 3.3Å; G181-V200 PolarHBondContact N-O 3.35Å |
| 182 | G | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -78.7 | 175.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R179 K199 V200 C276 | R179-G182 PolarHBondContact O-N 3.02Å; G182-K199 WeakPolarHBondContact O-CA 3.2Å; G182-V200 PolarHBondContact O-N 3.19Å; G182-C276 WeakPolarHBondContact CA-O 3.22Å | ||
| 183 | Y | 94.3 | Very high | 92.5 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 15% | 0.153 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138 | -175.8 | -62.5 | -91.3 | 0 | 0 | 0 | 113 | A198 K199 F213 F271 A275 C276 A278 | Y183-A198 WeakPolarHBondContact CA-O 3.27Å; Y183-K199 HydrophobicContact CD1-CB 3.79Å; Y183-K199 HydrophobicContact CD1-CG 4.16Å; Y183-K199 HydrophobicContact CE1-CB 3.48Å; Y183-K199 VanDerWaalsContact CE1-CB 3.48Å; Y183-K199 HydrophobicContact CE1-CD 4.06Å; Y183-K199 HydrophobicContact CE1-CG 3.7Å; Y183-F213 AromaticContact CE1-CD2 3.79Å; Y183-F213 HydrophobicContact CE1-CD2 3.79Å; Y183-F271 AromaticContact CD1-CZ 3.98Å; Y183-F271 HydrophobicContact CD1-CZ 3.98Å; Y183-F271 HydrophobicContact CD2-CZ 4.22Å; Y183-F271 HydrophobicContact CE1-CZ 4.22Å; Y183-F271 HydrophobicContact CE2-CZ 4.46Å; Y183-F271 AromaticContact CG-CZ 3.98Å; Y183-F271 HydrophobicContact CG-CZ 3.98Å; Y183-A275 HydrophobicContact CD2-CB 3.98Å; Y183-A275 HydrophobicContact CE2-CB 4.44Å; Y183-C276 PolarHBondContact N-O 3.14Å; Y183-A278 VanDerWaalsContact C-CB 3.48Å; Y183-A278 WeakPolarHBondContact O-CB 3.14Å; Y183-A278 PolarHBondContact O-N 3.3Å |
| 184 | F | 94.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 165.2 | 159 | -71.4 | -69.9 | 0 | 0 | 0 | 109.3 | I178 P197 A198 V200 L210 L240 A278 T279 F296 | I178-F184 HydrophobicContact CG2-CE2 3.9Å; I178-F184 HydrophobicContact CG2-CZ 4Å; F184-P197 CarbonylContact O-C 3.52Å; F184-P197 WeakPolarHBondContact O-CA 3.13Å; F184-A198 PolarHBondContact N-O 3.34Å; F184-A198 PolarHBondContact O-N 2.57Å; F184-V200 HydrophobicContact CD2-CG2 3.72Å; F184-V200 HydrophobicContact CE2-CG2 3.69Å; F184-L210 HydrophobicContact CD2-CD2 4.23Å; F184-L240 HydrophobicContact CB-CD2 3.87Å; F184-L240 HydrophobicContact CD2-CD2 4.43Å; F184-L240 HydrophobicContact CG-CD2 4.29Å; F184-A278 HydrophobicContact CD1-CB 3.82Å; F184-A278 HydrophobicContact CD2-CB 3.49Å; F184-A278 VanDerWaalsContact CD2-CB 3.49Å; F184-A278 HydrophobicContact CE1-CB 3.75Å; F184-A278 HydrophobicContact CE2-CB 3.42Å; F184-A278 VanDerWaalsContact CE2-CB 3.42Å; F184-A278 HydrophobicContact CG-CB 3.7Å; F184-A278 HydrophobicContact CZ-CB 3.55Å; F184-T279 HydrophobicContact CE1-CG2 4.07Å; F184-T279 HydrophobicContact CZ-CG2 4.3Å; F184-F296 HydrophobicContact CE1-CZ 4.2Å |
| 185 | E | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 137.3 | 158.5 | -86.2 | 161.5 | -156.4 | 0 | 0 | 109 | V195 H241 L243 G244 Y245 G246 Y253 | E185-V195 HydrophobicContact CB-CG2 3.81Å; E185-V195 HydrophobicContact CG-CG2 4.31Å; E185-H241 PolarHBondContact N-O 3.37Å; E185-H241 PolarHBondContact O-N 3.18Å; E185-L243 HydrophobicContact CG-CD2 4.14Å; E185-G244 VanDerWaalsContact CD-N 3.28Å; E185-G244 PolarHBondContact OE1-N 2.88Å; E185-G244 PolarHBondContact OE2-N 2.88Å; E185-Y245 PolarHBondContact OE2-N 3.4Å; E185-G246 PolarHBondContact OE2-N 3.43Å; E185-Y253 HydrophobicContact CG-CE1 4.18Å; E185-Y253 PolarHBondContact OE1-OH 2.72Å; E185-Y253 PolarHBondContact OE2-OH 3.42Å |
| 186 | C | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 126.4 | -177.8 | -167.2 | 0 | 0 | 0 | 0 | 112.6 | V195 W196 A198 W212 R239 L240 | C186-V195 WeakPolarHBondContact O-CA 3.3Å; C186-W196 PolarHBondContact N-O 3.42Å; C186-W196 PolarHBondContact O-N 3.36Å; C186-A198 HydrophobicContact CB-CB 4.03Å; C186-W212 HydrophobicContact CB-CH2 3.9Å; C186-W212 HydrophobicContact CB-CZ3 3.73Å; C186-R239 CarbonylContact C-O 3.53Å; C186-R239 WeakPolarHBondContact CA-O 3.26Å; C186-L240 HydrophobicContact CB-CD2 3.79Å |
| 187 | E | 93.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 147.7 | 169.7 | -72.3 | 169.7 | -148.2 | 0 | 0 | 111 | C194 R238 R239 H241 | E187-C194 WeakPolarHBondContact CA-O 3.21Å; E187-R238 IonicContact OE2-CZ 3.44Å; E187-R238 IonicContact OE2-NE 3.66Å; E187-R238 PolarHBondContact OE2-NE 3.42Å; E187-R238 IonicContact OE2-NH2 2.66Å; E187-R238 PolarHBondContact OE2-NH2 2.88Å; E187-R239 HydrophobicContact CB-CB 3.93Å; E187-R239 HydrophobicContact CB-CG 3.97Å; E187-R239 PolarHBondContact N-O 2.88Å; E187-R239 VanDerWaalsContact O-CZ 3.3Å; E187-R239 PolarHBondContact O-NE 3.17Å; E187-R239 PolarHBondContact O-NH2 3.29Å; E187-H241 IonicContact OE1-CD2 2.75Å; E187-H241 IonicContact OE1-CE1 3.16Å; E187-H241 IonicContact OE1-NE2 3.07Å; E187-H241 PolarHBondContact OE1-NE2 2.9Å |
| 188 | H | 92 | Very high | 93 | Very high | 9 Ų | 9 | 26 Ų | 26 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | trans | -70.8 | 149.1 | 172.8 | -65 | -166.7 | 0 | 0 | 0 | 111.4 | L190 C194 C254 P255 | H188-L190 PolarHBondContact O-N 3.03Å; H188-C194 HydrophobicContact CB-CB 4.45Å; H188-C194 PolarHBondContact CD2-O 2.86Å; H188-C194 PolarHBondContact N-O 3.11Å; H188-C254 PolarHBondContact CE1-O 2.85Å; H188-C254 VanDerWaalsContact CE1-O 3.23Å; H188-C254 PolarHBondContact NE2-O 3.37Å; H188-P255 PolarHBondContact CE1-O 3.05Å; H188-P255 VanDerWaalsContact CE1-O 3.25Å | ||
| 189 | D | 89.6 | Confident | 93.2 | Very high | 93 Ų | 93 | 29.4 Ų | 29.4 | 50% | 0.497 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -57.7 | -30.3 | 179.3 | -60.9 | 66.2 | 0 | 0 | 0 | 113.5 | R239 | D189-R239 VanDerWaalsContact CG-CZ 3.46Å; D189-R239 IonicContact OD1-CZ 3.58Å; D189-R239 IonicContact OD1-NH1 2.89Å; D189-R239 PolarHBondContact OD1-NH1 3.12Å; D189-R239 IonicContact OD1-NH2 2.69Å; D189-R239 PolarHBondContact OD1-NH2 3.04Å; D189-R239 IonicContact OD2-CZ 3.56Å; D189-R239 IonicContact OD2-NH1 3.73Å; D189-R239 PolarHBondContact OD2-NH1 3.23Å; D189-R239 IonicContact OD2-NH2 2.92Å |
| 190 | L | 92.3 | Very high | 93.4 | Very high | 70 Ų | 70 | 24.6 Ų | 24.6 | 37% | 0.366 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -121.5 | -0.2 | -171.9 | -59.9 | -179.1 | 0 | 0 | 0 | 114.3 | H188 F334 L340 Q371 | H188-L190 PolarHBondContact O-N 3.03Å; L190-F334 WeakPolarHBondContact O-CZ 3.22Å; L190-L340 HydrophobicContact CB-CD1 4.45Å; L190-L340 HydrophobicContact CD2-CD1 4.32Å; L190-Q371 HydrophobicContact CD2-CB 3.78Å; L190-Q371 WeakPolarHBondContact CD2-O 3.44Å |
| 191 | D | 93.2 | Very high | 93.5 | Very high | 26 Ų | 26 | 24 Ų | 24 | 14% | 0.139 | 13% | 0.13 | C | C | . | . | trans | -149.2 | 103.3 | 175.6 | -160.4 | -42.8 | 0 | 0 | 0 | 111.5 | T193 C194 K332 F334 | D191-T193 PolarHBondContact O-N 3.3Å; D191-T193 WeakPolarHBondContact OD1-CB 3.19Å; D191-T193 PolarHBondContact OD1-N 3.23Å; D191-T193 PolarHBondContact OD1-OG1 3.01Å; D191-C194 HydrophobicContact CB-CB 4.26Å; D191-C194 PolarHBondContact O-N 3.25Å; D191-C194 VanDerWaalsContact O-N 3.16Å; D191-K332 IonicContact OD2-NZ 3.42Å; D191-K332 PolarHBondContact OD2-NZ 2.77Å; D191-F334 HydrophobicContact CB-CE1 4.05Å; D191-F334 WeakPolarHBondContact OD1-CD1 3.18Å; D191-F334 WeakPolarHBondContact OD1-CE1 3.5Å; D191-F334 WeakPolarHBondContact OD2-CE1 3.38Å | ||
| 192 | P | 92.2 | Very high | 93.5 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 5% | 0.052 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -7 | -178.7 | 34.4 | -36.2 | 0 | 0 | 0 | 112.9 | C194 F334 Y338 V373 | P192-C194 VanDerWaalsContact C-N 3.26Å; P192-F334 HydrophobicContact CG-CB 4.21Å; P192-F334 HydrophobicContact CG-CD1 4.31Å; P192-F334 HydrophobicContact CG-CD2 3.74Å; P192-F334 HydrophobicContact CG-CE2 4.13Å; P192-F334 HydrophobicContact CG-CG 3.84Å; P192-Y338 HydrophobicContact CB-CD2 4.01Å; P192-Y338 HydrophobicContact CB-CE2 4.42Å; P192-Y338 HydrophobicContact CB-CG 4.29Å; P192-Y338 HydrophobicContact CG-CD2 3.94Å; P192-Y338 HydrophobicContact CG-CG 3.93Å; P192-V373 HydrophobicContact CB-CG1 4.41Å; P192-V373 HydrophobicContact CG-CG1 3.91Å |
| 193 | T | 92.8 | Very high | 93.6 | Very high | 50 Ų | 50 | 26.7 Ų | 26.7 | 31% | 0.307 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9.8 | 171.5 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | D191 K252 F334 | D191-T193 PolarHBondContact O-N 3.3Å; D191-T193 WeakPolarHBondContact OD1-CB 3.19Å; D191-T193 PolarHBondContact OD1-N 3.23Å; D191-T193 PolarHBondContact OD1-OG1 3.01Å; T193-K252 PolarHBondContact O-N 2.92Å; T193-F334 HydrophobicContact CG2-CB 3.99Å; T193-F334 HydrophobicContact CG2-CD1 4.1Å; T193-F334 HydrophobicContact CG2-CG 4.44Å |
| 194 | C | 93.6 | Very high | 93.6 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.6 | -175.5 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | E187 H188 D191 P192 K252 | E187-C194 WeakPolarHBondContact CA-O 3.21Å; H188-C194 HydrophobicContact CB-CB 4.45Å; H188-C194 PolarHBondContact CD2-O 2.86Å; H188-C194 PolarHBondContact N-O 3.11Å; D191-C194 HydrophobicContact CB-CB 4.26Å; D191-C194 PolarHBondContact O-N 3.25Å; D191-C194 VanDerWaalsContact O-N 3.16Å; P192-C194 VanDerWaalsContact C-N 3.26Å; C194-K252 WeakPolarHBondContact CA-O 3.24Å |
| 195 | V | 93 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 148.2 | -175.4 | 68.9 | 0 | 0 | 0 | 0 | 110.5 | E185 C186 L251 K252 Y253 C254 | E185-V195 HydrophobicContact CB-CG2 3.81Å; E185-V195 HydrophobicContact CG-CG2 4.31Å; C186-V195 WeakPolarHBondContact O-CA 3.3Å; V195-L251 HydrophobicContact CB-CB 4.21Å; V195-L251 HydrophobicContact CB-CD1 4.23Å; V195-L251 HydrophobicContact CG1-CB 3.75Å; V195-K252 PolarHBondContact N-O 2.69Å; V195-Y253 HydrophobicContact CG1-CD1 3.8Å; V195-Y253 HydrophobicContact CG1-CD2 4.14Å; V195-Y253 HydrophobicContact CG1-CE1 3.94Å; V195-Y253 HydrophobicContact CG1-CE2 4.26Å; V195-Y253 HydrophobicContact CG1-CG 3.94Å; V195-Y253 WeakPolarHBondContact O-CA 3.46Å; V195-C254 PolarHBondContact O-N 3.47Å; V195-C254 VanDerWaalsContact O-N 3.12Å |
| 196 | W | 93.7 | Very high | 93.6 | Very high | 10 Ų | 10 | 26.6 Ų | 26.6 | 4% | 0.038 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 147.3 | 171.7 | -158.9 | -120.5 | 0 | 0 | 0 | 112.1 | C186 A198 W212 F213 C254 P255 L261 I265 | C186-W196 PolarHBondContact N-O 3.42Å; C186-W196 PolarHBondContact O-N 3.36Å; W196-A198 PolarHBondContact O-N 2.99Å; W196-W212 HydrophobicContact CB-CE3 3.89Å; W196-W212 HydrophobicContact CB-CZ3 3.84Å; W196-W212 HydrophobicContact CG-CE3 4.39Å; W196-F213 HydrophobicContact CZ2-CD1 4.48Å; W196-F213 PolarHBondContact NE1-O 2.93Å; W196-C254 WeakPolarHBondContact CB-O 3.45Å; W196-P255 HydrophobicContact CD2-CB 4.38Å; W196-P255 HydrophobicContact CZ2-CB 4.46Å; W196-L261 HydrophobicContact CH2-CD1 4.02Å; W196-L261 HydrophobicContact CZ2-CD1 3.6Å; W196-L261 HydrophobicContact CZ2-CD2 3.83Å; W196-L261 HydrophobicContact CZ2-CG 4.37Å; W196-I265 HydrophobicContact CH2-CB 4.25Å; W196-I265 HydrophobicContact CH2-CD1 3.65Å; W196-I265 HydrophobicContact CH2-CG1 3.9Å; W196-I265 HydrophobicContact CZ2-CD1 3.71Å; W196-I265 HydrophobicContact CZ2-CG1 4Å; W196-I265 HydrophobicContact CZ3-CD1 4.28Å |
| 197 | P | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 136.6 | 174.1 | -23.2 | 34.9 | 0 | 0 | 0 | 112.3 | F184 F213 I265 I268 F271 | F184-P197 CarbonylContact O-C 3.52Å; F184-P197 WeakPolarHBondContact O-CA 3.13Å; P197-F213 HydrophobicContact CB-CB 3.98Å; P197-F213 WeakPolarHBondContact O-CB 3.38Å; P197-F213 PolarHBondContact O-N 3.24Å; P197-I265 HydrophobicContact CG-CD1 4.23Å; P197-I268 HydrophobicContact CG-CD1 4.31Å; P197-F271 HydrophobicContact CB-CD1 4.46Å; P197-F271 HydrophobicContact CB-CE1 3.54Å; P197-F271 HydrophobicContact CB-CZ 3.81Å; P197-F271 HydrophobicContact CG-CD1 3.98Å; P197-F271 HydrophobicContact CG-CE1 3.53Å; P197-F271 HydrophobicContact CG-CZ 4.17Å |
| 198 | A | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y183 F184 C186 W196 L210 S211 W212 F231 | Y183-A198 WeakPolarHBondContact CA-O 3.27Å; F184-A198 PolarHBondContact N-O 3.34Å; F184-A198 PolarHBondContact O-N 2.57Å; C186-A198 HydrophobicContact CB-CB 4.03Å; W196-A198 PolarHBondContact O-N 2.99Å; A198-L210 HydrophobicContact CB-CB 4.4Å; A198-L210 HydrophobicContact CB-CD2 4.21Å; A198-S211 CarbonylContact C-O 3.58Å; A198-S211 WeakPolarHBondContact CA-O 3.45Å; A198-W212 HydrophobicContact CB-CE3 4.3Å; A198-W212 HydrophobicContact CB-CZ3 4.5Å; A198-F231 HydrophobicContact CB-CZ 4.11Å |
| 199 | K | 94.3 | Very high | 94 | Very high | 78 Ų | 78 | 27.2 Ų | 27.2 | 34% | 0.339 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 131.1 | -178.9 | -165.8 | 178.3 | 179.9 | 178 | 0 | 110.8 | G181 G182 Y183 L201 L210 S211 | G181-K199 WeakPolarHBondContact O-CE 3.48Å; G182-K199 WeakPolarHBondContact O-CA 3.2Å; Y183-K199 HydrophobicContact CD1-CB 3.79Å; Y183-K199 HydrophobicContact CD1-CG 4.16Å; Y183-K199 HydrophobicContact CE1-CB 3.48Å; Y183-K199 VanDerWaalsContact CE1-CB 3.48Å; Y183-K199 HydrophobicContact CE1-CD 4.06Å; Y183-K199 HydrophobicContact CE1-CG 3.7Å; K199-L201 HydrophobicContact CD-CD2 4.42Å; K199-L201 PolarHBondContact O-N 3.42Å; K199-L210 CarbonylContact O-C 3.15Å; K199-L210 VanDerWaalsContact O-CA 3.3Å; K199-L210 WeakPolarHBondContact O-CA 3.09Å; K199-S211 PolarHBondContact N-O 2.92Å; K199-S211 PolarHBondContact O-N 3.41Å |
| 200 | V | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 116.4 | 168.8 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | I178 V180 G181 G182 F184 V208 L210 A278 | I178-V200 HydrophobicContact CG2-CG1 4.36Å; I178-V200 HydrophobicContact CG2-CG2 4.17Å; V180-V200 HydrophobicContact CG2-CG1 4.35Å; G181-V200 WeakPolarHBondContact CA-O 3.3Å; G181-V200 PolarHBondContact N-O 3.35Å; G182-V200 PolarHBondContact O-N 3.19Å; F184-V200 HydrophobicContact CD2-CG2 3.72Å; F184-V200 HydrophobicContact CE2-CG2 3.69Å; V200-V208 HydrophobicContact CG1-CG1 4.28Å; V200-L210 HydrophobicContact CG2-CD2 4.02Å; V200-A278 HydrophobicContact CG2-CB 3.77Å |
| 201 | L | 95 | Very high | 94.3 | Very high | 72 Ų | 72 | 19.9 Ų | 19.9 | 38% | 0.377 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -34.8 | 172.7 | -61.7 | -170.3 | 0 | 0 | 0 | 112 | V180 K199 L209 T230 | V180-L201 VanDerWaalsContact CG1-O 3.3Å; V180-L201 WeakPolarHBondContact CG1-O 3.22Å; K199-L201 HydrophobicContact CD-CD2 4.42Å; K199-L201 PolarHBondContact O-N 3.42Å; L201-L209 HydrophobicContact CB-CB 4.42Å; L201-L209 HydrophobicContact CB-CD2 3.95Å; L201-L209 HydrophobicContact CB-CG 4.11Å; L201-L209 HydrophobicContact CD1-CD2 4.11Å; L201-L209 HydrophobicContact CD1-CG 4.32Å; L201-L209 PolarHBondContact N-O 3.46Å; L201-T230 HydrophobicContact CD1-CG2 3.81Å |
| 202 | M | 95.5 | Very high | 94.2 | Very high | 54 Ų | 54 | 19 Ų | 19 | 27% | 0.266 | 10% | 0.099 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 153.3 | 179 | -178.7 | 161.4 | 46.5 | 0 | 0 | 110.3 | I204 V208 L209 D562 I563 | M202-I204 HydrophobicContact CG-CG1 4.41Å; M202-I204 HydrophobicContact SD-CD1 4.31Å; M202-V208 WeakPolarHBondContact O-CA 3.43Å; M202-L209 HydrophobicContact CB-CB 4.19Å; M202-L209 HydrophobicContact CE-CD2 4.46Å; M202-L209 PolarHBondContact N-O 2.89Å; M202-L209 PolarHBondContact O-N 3.03Å; M202-D562 VanDerWaalsContact CE-C 3.44Å; M202-D562 HydrophobicContact CE-CB 3.77Å; M202-D562 WeakPolarHBondContact CE-O 3.47Å; M202-I563 HydrophobicContact CE-CB 3.7Å; M202-I563 HydrophobicContact CE-CG1 4.12Å; M202-I563 HydrophobicContact CG-CD1 4.47Å |
| 203 | N | 95.3 | Very high | 94 | Very high | 33 Ų | 33 | 21.1 Ų | 21.1 | 18% | 0.176 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.1 | 176.1 | 171.8 | 25.6 | 0 | 0 | 0 | 109.1 | F175 V180 G206 R207 V208 | F175-N203 PolarHBondContact O-ND2 2.69Å; V180-N203 HydrophobicContact CG2-CB 4.43Å; N203-G206 WeakPolarHBondContact OD1-CA 3.5Å; N203-G206 PolarHBondContact OD1-N 2.77Å; N203-R207 WeakPolarHBondContact CA-O 3.33Å; N203-V208 HydrophobicContact CB-CG1 4.23Å |
| 204 | I | 95.2 | Very high | 93.5 | Very high | 36 Ų | 36 | 19.5 Ų | 19.5 | 19% | 0.185 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 110.2 | 170 | -63.2 | 175.4 | 0 | 0 | 0 | 107.4 | M202 G206 R207 I563 V625 H627 | M202-I204 HydrophobicContact CG-CG1 4.41Å; M202-I204 HydrophobicContact SD-CD1 4.31Å; I204-G206 PolarHBondContact O-N 2.9Å; I204-G206 VanDerWaalsContact O-N 3.11Å; I204-R207 PolarHBondContact N-O 2.6Å; I204-R207 WeakPolarHBondContact O-CB 3.46Å; I204-R207 PolarHBondContact O-N 3.28Å; I204-I563 HydrophobicContact CB-CD1 3.66Å; I204-I563 HydrophobicContact CD1-CB 4.33Å; I204-I563 HydrophobicContact CD1-CD1 3.84Å; I204-I563 HydrophobicContact CD1-CG2 4.34Å; I204-I563 HydrophobicContact CG1-CD1 3.73Å; I204-V625 HydrophobicContact CG2-CB 4.3Å; I204-V625 HydrophobicContact CG2-CG2 3.77Å; I204-V625 WeakPolarHBondContact CG2-O 3.48Å; I204-H627 HydrophobicContact CG2-CB 3.85Å |
| 205 | G | 93.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 15.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | F234 W621 | G205-F234 WeakPolarHBondContact O-CE2 3.47Å; G205-W621 WeakPolarHBondContact O-CZ2 3.35Å |
| 206 | G | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -6.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N203 I204 V208 F234 Y235 | N203-G206 WeakPolarHBondContact OD1-CA 3.5Å; N203-G206 PolarHBondContact OD1-N 2.77Å; I204-G206 PolarHBondContact O-N 2.9Å; I204-G206 VanDerWaalsContact O-N 3.11Å; G206-V208 PolarHBondContact O-N 2.86Å; G206-F234 CarbonylContact O-C 3.56Å; G206-F234 WeakPolarHBondContact O-CA 3.5Å; G206-Y235 WeakPolarHBondContact O-CD1 3.35Å; G206-Y235 PolarHBondContact O-N 2.8Å |
| 207 | R | 95.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.011 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 123.1 | 157 | -68.2 | 179.8 | 63 | 71.8 | -1.1 | 107.3 | N203 I204 L233 F234 V549 I563 Y617 W621 H627 | N203-R207 WeakPolarHBondContact CA-O 3.33Å; I204-R207 PolarHBondContact N-O 2.6Å; I204-R207 WeakPolarHBondContact O-CB 3.46Å; I204-R207 PolarHBondContact O-N 3.28Å; R207-L233 WeakPolarHBondContact CA-O 3.31Å; R207-F234 HydrophobicContact CG-CD2 3.78Å; R207-F234 HydrophobicContact CG-CE2 4.36Å; R207-V549 VanDerWaalsContact NH1-CG2 3.32Å; R207-I563 HydrophobicContact CB-CD1 4.24Å; R207-I563 WeakPolarHBondContact O-CD1 3.06Å; R207-Y617 WeakPolarHBondContact CD-OH 3.49Å; R207-Y617 WeakPolarHBondContact CG-OH 3.29Å; R207-Y617 PolarHBondContact NH1-OH 2.73Å; R207-W621 HydrophobicContact CB-CH2 4.41Å; R207-W621 VanDerWaalsContact CD-CH2 3.44Å; R207-W621 HydrophobicContact CG-CH2 3.72Å; R207-W621 HydrophobicContact CG-CZ2 4.28Å; R207-H627 PolarHBondContact NE-NE2 2.81Å; R207-H627 VanDerWaalsContact NE-NE2 3.11Å |
| 208 | V | 96.1 | Very high | 87 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125 | -178 | -72.4 | 0 | 0 | 0 | 0 | 110.4 | I178 V200 M202 N203 G206 L210 T232 L233 L240 | I178-V208 HydrophobicContact CD1-CG1 4.27Å; I178-V208 HydrophobicContact CG2-CG1 4Å; V200-V208 HydrophobicContact CG1-CG1 4.28Å; M202-V208 WeakPolarHBondContact O-CA 3.43Å; N203-V208 HydrophobicContact CB-CG1 4.23Å; G206-V208 PolarHBondContact O-N 2.86Å; V208-L210 HydrophobicContact CB-CD2 4.5Å; V208-L210 HydrophobicContact CB-CG 4.38Å; V208-L210 HydrophobicContact CG2-CD1 3.99Å; V208-L210 HydrophobicContact CG2-CD2 4.26Å; V208-L210 HydrophobicContact CG2-CG 4.01Å; V208-T232 WeakPolarHBondContact O-CA 3.36Å; V208-T232 WeakPolarHBondContact O-CG2 3.29Å; V208-L233 WeakPolarHBondContact CG2-O 3.43Å; V208-L233 PolarHBondContact N-O 2.86Å; V208-L233 PolarHBondContact O-N 2.76Å; V208-L233 VanDerWaalsContact O-N 3.16Å; V208-L240 HydrophobicContact CG2-CD1 4.05Å |
| 209 | L | 96.1 | Very high | 84.6 | Confident | 25 Ų | 25 | 38.6 Ų | 38.6 | 13% | 0.131 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.7 | 163.2 | 179.4 | 70.2 | 0 | 0 | 0 | 107.7 | L201 M202 D562 I563 | L201-L209 HydrophobicContact CB-CB 4.42Å; L201-L209 HydrophobicContact CB-CD2 3.95Å; L201-L209 HydrophobicContact CB-CG 4.11Å; L201-L209 HydrophobicContact CD1-CD2 4.11Å; L201-L209 HydrophobicContact CD1-CG 4.32Å; L201-L209 PolarHBondContact N-O 3.46Å; M202-L209 HydrophobicContact CB-CB 4.19Å; M202-L209 HydrophobicContact CE-CD2 4.46Å; M202-L209 PolarHBondContact N-O 2.89Å; M202-L209 PolarHBondContact O-N 3.03Å; L209-D562 WeakPolarHBondContact CD2-O 3.42Å; L209-I563 HydrophobicContact CB-CG1 4.09Å |
| 210 | L | 94.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 155.9 | -175.4 | -67.4 | 165.4 | 0 | 0 | 0 | 111.1 | F184 A198 K199 V200 V208 T230 F231 L233 L240 | F184-L210 HydrophobicContact CD2-CD2 4.23Å; A198-L210 HydrophobicContact CB-CB 4.4Å; A198-L210 HydrophobicContact CB-CD2 4.21Å; K199-L210 CarbonylContact O-C 3.15Å; K199-L210 VanDerWaalsContact O-CA 3.3Å; K199-L210 WeakPolarHBondContact O-CA 3.09Å; V200-L210 HydrophobicContact CG2-CD2 4.02Å; V208-L210 HydrophobicContact CB-CD2 4.5Å; V208-L210 HydrophobicContact CB-CG 4.38Å; V208-L210 HydrophobicContact CG2-CD1 3.99Å; V208-L210 HydrophobicContact CG2-CD2 4.26Å; V208-L210 HydrophobicContact CG2-CG 4.01Å; L210-T230 CarbonylContact O-C 3.59Å; L210-T230 WeakPolarHBondContact O-CA 3.23Å; L210-F231 HydrophobicContact CB-CD1 4.29Å; L210-F231 HydrophobicContact CB-CD2 4.32Å; L210-F231 HydrophobicContact CB-CE1 3.91Å; L210-F231 HydrophobicContact CB-CE2 3.96Å; L210-F231 HydrophobicContact CB-CG 4.48Å; L210-F231 HydrophobicContact CB-CZ 3.74Å; L210-F231 HydrophobicContact CD1-CD2 4.29Å; L210-F231 HydrophobicContact CD1-CE2 3.61Å; L210-F231 HydrophobicContact CD1-CZ 3.96Å; L210-F231 HydrophobicContact CG-CE2 4.46Å; L210-F231 PolarHBondContact N-O 2.95Å; L210-F231 PolarHBondContact O-N 2.82Å; L210-L233 HydrophobicContact CD1-CB 4.44Å; L210-L233 HydrophobicContact CD1-CD1 4.42Å; L210-L240 HydrophobicContact CD1-CD1 3.84Å; L210-L240 HydrophobicContact CD1-CD2 3.64Å; L210-L240 HydrophobicContact CD1-CG 4.3Å |
| 211 | S | 92.9 | Very high | 79.3 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 135.8 | 167.3 | -164.8 | 0 | 0 | 0 | 0 | 110.8 | A198 K199 T215 S229 | A198-S211 CarbonylContact C-O 3.58Å; A198-S211 WeakPolarHBondContact CA-O 3.45Å; K199-S211 PolarHBondContact N-O 2.92Å; K199-S211 PolarHBondContact O-N 3.41Å; S211-T215 PolarHBondContact OG-OG1 3.38Å; S211-S229 WeakPolarHBondContact CA-O 3.41Å; S211-S229 WeakPolarHBondContact CB-O 3.47Å; S211-S229 PolarHBondContact OG-O 3.39Å |
| 212 | W | 91.1 | Very high | 76.5 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 3% | 0.03 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 139.2 | 178.8 | -63.6 | 113.9 | 0 | 0 | 0 | 111.4 | C186 W196 A198 G214 T215 F231 P256 | C186-W212 HydrophobicContact CB-CH2 3.9Å; C186-W212 HydrophobicContact CB-CZ3 3.73Å; W196-W212 HydrophobicContact CB-CE3 3.89Å; W196-W212 HydrophobicContact CB-CZ3 3.84Å; W196-W212 HydrophobicContact CG-CE3 4.39Å; A198-W212 HydrophobicContact CB-CE3 4.3Å; A198-W212 HydrophobicContact CB-CZ3 4.5Å; W212-G214 PolarHBondContact O-N 3.18Å; W212-T215 HydrophobicContact CB-CG2 4.35Å; W212-T215 WeakPolarHBondContact O-CB 3.45Å; W212-T215 WeakPolarHBondContact O-CG2 3.32Å; W212-T215 PolarHBondContact O-N 2.83Å; W212-T215 PolarHBondContact O-OG1 2.87Å; W212-F231 AromaticContact CD1-CE1 3.85Å; W212-F231 AromaticContact CD2-CE1 3.65Å; W212-F231 HydrophobicContact CD2-CE1 3.65Å; W212-F231 HydrophobicContact CD2-CZ 4.13Å; W212-F231 AromaticContact CE2-CD1 3.97Å; W212-F231 AromaticContact CE2-CE1 3.27Å; W212-F231 AromaticContact CE2-CZ 3.73Å; W212-F231 HydrophobicContact CE3-CE1 4.27Å; W212-F231 HydrophobicContact CE3-CZ 4.34Å; W212-F231 HydrophobicContact CG-CE1 4.02Å; W212-F231 HydrophobicContact CH2-CE1 4.3Å; W212-F231 AromaticContact CH2-CZ 3.89Å; W212-F231 HydrophobicContact CH2-CZ 3.89Å; W212-F231 HydrophobicContact CZ2-CD1 4.38Å; W212-F231 AromaticContact CZ2-CE1 3.65Å; W212-F231 HydrophobicContact CZ2-CE1 3.65Å; W212-F231 HydrophobicContact CZ2-CE2 4.34Å; W212-F231 AromaticContact CZ2-CZ 3.61Å; W212-F231 HydrophobicContact CZ2-CZ 3.61Å; W212-F231 HydrophobicContact CZ3-CZ 4.24Å; W212-F231 AromaticContact NE1-CD1 3.65Å; W212-F231 AromaticContact NE1-CE1 3.38Å; W212-P256 HydrophobicContact CD2-CG 3.55Å; W212-P256 VanDerWaalsContact CE2-CG 3.42Å; W212-P256 HydrophobicContact CE3-CG 3.98Å; W212-P256 HydrophobicContact CG-CG 3.96Å; W212-P256 HydrophobicContact CH2-CG 4.13Å; W212-P256 HydrophobicContact CZ2-CG 3.74Å; W212-P256 HydrophobicContact CZ3-CG 4.23Å |
| 213 | F | 89 | Confident | 73.7 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 23% | 0.228 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 138 | 175.9 | 178.8 | -87.1 | 0 | 0 | 0 | 110.9 | Y183 W196 P197 L261 I265 F271 | Y183-F213 AromaticContact CE1-CD2 3.79Å; Y183-F213 HydrophobicContact CE1-CD2 3.79Å; W196-F213 HydrophobicContact CZ2-CD1 4.48Å; W196-F213 PolarHBondContact NE1-O 2.93Å; P197-F213 HydrophobicContact CB-CB 3.98Å; P197-F213 WeakPolarHBondContact O-CB 3.38Å; P197-F213 PolarHBondContact O-N 3.24Å; F213-L261 VanDerWaalsContact O-CD2 3.29Å; F213-L261 WeakPolarHBondContact O-CD2 3.41Å; F213-I265 HydrophobicContact CD1-CD1 3.64Å; F213-I265 HydrophobicContact CD1-CG1 3.77Å; F213-I265 HydrophobicContact CE1-CD1 3.85Å; F213-I265 HydrophobicContact CE1-CG1 3.51Å; F213-I265 HydrophobicContact CG-CD1 4.41Å; F213-I265 HydrophobicContact CZ-CG1 4.47Å; F213-F271 AromaticContact CD2-CE2 3.62Å; F213-F271 HydrophobicContact CD2-CE2 3.62Å; F213-F271 HydrophobicContact CD2-CZ 4.02Å; F213-F271 HydrophobicContact CE2-CD2 4.2Å; F213-F271 AromaticContact CE2-CE2 3.51Å; F213-F271 HydrophobicContact CE2-CE2 3.51Å; F213-F271 HydrophobicContact CE2-CZ 4.36Å; F213-F271 HydrophobicContact CG-CE2 4.28Å; F213-F271 HydrophobicContact CG-CZ 4.49Å; F213-F271 HydrophobicContact CZ-CD2 4.34Å; F213-F271 HydrophobicContact CZ-CE2 4.09Å |
| 214 | G | 82.7 | Confident | 71.1 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 17% | 0.165 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 3.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W212 | W212-G214 PolarHBondContact O-N 3.18Š|
| 215 | T | 74.5 | Confident | 68.5 | Low | 47 Ų | 47 | 61.3 Ų | 61.3 | 29% | 0.288 | 35% | 0.352 | S | S | . | . | trans | -74.5 | 140.5 | 170 | 49.1 | 0 | 0 | 0 | 0 | 112.6 | S211 W212 Y259 | S211-T215 PolarHBondContact OG-OG1 3.38Å; W212-T215 HydrophobicContact CB-CG2 4.35Å; W212-T215 WeakPolarHBondContact O-CB 3.45Å; W212-T215 WeakPolarHBondContact O-CG2 3.32Å; W212-T215 PolarHBondContact O-N 2.83Å; W212-T215 PolarHBondContact O-OG1 2.87Å; T215-Y259 VanDerWaalsContact CA-OH 3.3Å; T215-Y259 WeakPolarHBondContact CA-OH 3.41Å; T215-Y259 HydrophobicContact CG2-CE1 4.4Å; T215-Y259 HydrophobicContact CG2-CE2 3.97Å; T215-Y259 VanDerWaalsContact CG2-OH 3.26Å; T215-Y259 WeakPolarHBondContact CG2-OH 3.33Å | ||
| 216 | S | 61.9 | Low | 66 | Low | 29 Ų | 29 | 65 Ų | 65 | 20% | 0.203 | 37% | 0.365 | C | S | . | . | trans | -123.1 | 143.1 | 169.2 | 99.1 | 0 | 0 | 0 | 0 | 111.9 | K218 E262 | S216-K218 VanDerWaalsContact C-N 3.25Å; S216-K218 PolarHBondContact O-N 2.94Å; S216-K218 PolarHBondContact OG-N 3.06Å; S216-E262 VanDerWaalsContact CB-CD 3.47Å; S216-E262 WeakPolarHBondContact CB-OE1 3.24Å; S216-E262 WeakPolarHBondContact CB-OE2 3.04Å; S216-E262 PolarHBondContact OG-OE1 3.22Å | ||
| 217 | S | 52.9 | Low | 64 | Low | 92 Ų | 92 | 73.3 Ų | 73.3 | 64% | 0.643 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -70 | -23 | 174.2 | -47.4 | 0 | 0 | 0 | 0 | 112.3 | A219 Q220 | S217-A219 VanDerWaalsContact C-N 3.29Å; S217-A219 PolarHBondContact O-N 2.7Å; S217-Q220 VanDerWaalsContact O-CB 3.29Å; S217-Q220 WeakPolarHBondContact O-CB 3.19Å; S217-Q220 VanDerWaalsContact O-CG 3.32Å; S217-Q220 WeakPolarHBondContact O-CG 3.48Å; S217-Q220 PolarHBondContact O-N 3.31Å; S217-Q220 PolarHBondContact O-OE1 2.89Å |
| 218 | K | 48 | Very low | 62.3 | Low | 200 Ų | 200 | 80.8 Ų | 80.8 | 87% | 0.87 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -67.6 | -28.3 | -173.1 | -71 | -169 | 175.3 | -173.8 | 0 | 113.2 | S216 Q220 | S216-K218 VanDerWaalsContact C-N 3.25Å; S216-K218 PolarHBondContact O-N 2.94Å; S216-K218 PolarHBondContact OG-N 3.06Å; K218-Q220 PolarHBondContact O-N 2.89Å |
| 219 | A | 43.2 | Very low | 61.5 | Low | 54 Ų | 54 | 81.8 Ų | 81.8 | 45% | 0.446 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -76.2 | 9.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | S217 A221 R226 | S217-A219 VanDerWaalsContact C-N 3.29Å; S217-A219 PolarHBondContact O-N 2.7Å; A219-A221 VanDerWaalsContact C-N 3.31Å; A219-A221 PolarHBondContact O-N 2.56Å; A219-R226 VanDerWaalsContact O-CZ 3.3Å; A219-R226 PolarHBondContact O-NE 3.09Å; A219-R226 PolarHBondContact O-NH2 2.77Å |
| 220 | Q | 40.9 | Very low | 61.1 | Low | 132 Ų | 132 | 83.7 Ų | 83.7 | 62% | 0.617 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -72.1 | -15 | -175.9 | -82.2 | 178.1 | -35.1 | 0 | 0 | 115.1 | S217 K218 | S217-Q220 VanDerWaalsContact O-CB 3.29Å; S217-Q220 WeakPolarHBondContact O-CB 3.19Å; S217-Q220 VanDerWaalsContact O-CG 3.32Å; S217-Q220 WeakPolarHBondContact O-CG 3.48Å; S217-Q220 PolarHBondContact O-N 3.31Å; S217-Q220 PolarHBondContact O-OE1 2.89Å; K218-Q220 PolarHBondContact O-N 2.89Å |
| 221 | A | 39.1 | Very low | 61 | Low | 90 Ų | 90 | 85.3 Ų | 85.3 | 74% | 0.744 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -84.8 | -23.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | A219 | A219-A221 VanDerWaalsContact C-N 3.31Å; A219-A221 PolarHBondContact O-N 2.56Å |
| 222 | C | 35.9 | Very low | 61.1 | Low | 123 Ų | 123 | 86.4 Ų | 86.4 | 83% | 0.831 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -125.1 | -0.1 | -153.7 | -63 | 0 | 0 | 0 | 0 | 118.4 | ||
| 223 | D | 35.1 | Very low | 61.2 | Low | 105 Ų | 105 | 87 Ų | 87 | 56% | 0.561 | 47% | 0.471 | S | S | * | . | trans | -144.3 | 145.6 | -179.8 | -163.3 | -0.1 | 0 | 0 | 0 | 113.8 | S225 | D223-S225 PolarHBondContact OD1-N 3.36Å; D223-S225 PolarHBondContact OD2-OG 3.31Å | ||
| 224 | K | 42.4 | Very low | 61.5 | Low | 212 Ų | 212 | 84.5 Ų | 84.5 | 92% | 0.922 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -91.6 | -12 | -178.5 | -66.8 | 179.5 | -179.9 | 175.2 | 0 | 113.4 | R226 | K224-R226 PolarHBondContact O-N 2.79Š|
| 225 | S | 39.6 | Very low | 62 | Low | 89 Ų | 89 | 83.8 Ų | 83.8 | 62% | 0.622 | 45% | 0.453 | S | S | * | . | trans | -62.5 | 5.2 | 177.2 | 61.3 | 0 | 0 | 0 | 0 | 115.7 | D223 K227 | D223-S225 PolarHBondContact OD1-N 3.36Å; D223-S225 PolarHBondContact OD2-OG 3.31Å; S225-K227 PolarHBondContact O-N 2.78Å; S225-K227 VanDerWaalsContact O-N 3.11Å | ||
| 226 | R | 40.7 | Very low | 62.8 | Low | 79 Ų | 79 | 82.7 Ų | 82.7 | 30% | 0.298 | 45% | 0.445 | S | S | . | . | trans | -97.8 | 36.6 | -137.5 | -144.6 | 177.2 | -176.2 | -65 | -7.8 | 115.6 | A219 K224 | A219-R226 VanDerWaalsContact O-CZ 3.3Å; A219-R226 PolarHBondContact O-NE 3.09Å; A219-R226 PolarHBondContact O-NH2 2.77Å; K224-R226 PolarHBondContact O-N 2.79Å | ||
| 227 | K | 51 | Low | 64.3 | Low | 175 Ų | 175 | 82.8 Ų | 82.8 | 76% | 0.761 | 44% | 0.443 | S | S | * | . | trans | -87.3 | -7.1 | -160.2 | -124.2 | -177.7 | -178.9 | -175.9 | 0 | 117.8 | S225 | S225-K227 PolarHBondContact O-N 2.78Å; S225-K227 VanDerWaalsContact O-N 3.11Å | ||
| 228 | F | 60.5 | Low | 66 | Low | 159 Ų | 159 | 81 Ų | 81 | 70% | 0.697 | 42% | 0.422 | S | S | * | . | trans | -133.2 | 13.8 | -165.3 | -59.4 | -70.8 | 0 | 0 | 0 | 117 | T230 | F228-T230 PolarHBondContact O-N 3.46Š| ||
| 229 | S | 78.8 | Confident | 68.1 | Low | 21 Ų | 21 | 72.8 Ų | 72.8 | 15% | 0.147 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -69 | -20.4 | 174.2 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | S211 | S211-S229 WeakPolarHBondContact CA-O 3.41Å; S211-S229 WeakPolarHBondContact CB-O 3.47Å; S211-S229 PolarHBondContact OG-O 3.39Å |
| 230 | T | 88.9 | Confident | 70.5 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 40% | 0.399 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 139.8 | -175.2 | 42.8 | 0 | 0 | 0 | 0 | 109.7 | L201 L210 F228 | L201-T230 HydrophobicContact CD1-CG2 3.81Å; L210-T230 CarbonylContact O-C 3.59Å; L210-T230 WeakPolarHBondContact O-CA 3.23Å; F228-T230 PolarHBondContact O-N 3.46Å |
| 231 | F | 92 | Very high | 72.8 | Confident | 35 Ų | 35 | 64 Ų | 64 | 15% | 0.154 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 160.4 | -175 | 60.8 | -78.1 | 0 | 0 | 0 | 110 | A198 L210 W212 L233 | A198-F231 HydrophobicContact CB-CZ 4.11Å; L210-F231 HydrophobicContact CB-CD1 4.29Å; L210-F231 HydrophobicContact CB-CD2 4.32Å; L210-F231 HydrophobicContact CB-CE1 3.91Å; L210-F231 HydrophobicContact CB-CE2 3.96Å; L210-F231 HydrophobicContact CB-CG 4.48Å; L210-F231 HydrophobicContact CB-CZ 3.74Å; L210-F231 HydrophobicContact CD1-CD2 4.29Å; L210-F231 HydrophobicContact CD1-CE2 3.61Å; L210-F231 HydrophobicContact CD1-CZ 3.96Å; L210-F231 HydrophobicContact CG-CE2 4.46Å; L210-F231 PolarHBondContact N-O 2.95Å; L210-F231 PolarHBondContact O-N 2.82Å; W212-F231 AromaticContact CD1-CE1 3.85Å; W212-F231 AromaticContact CD2-CE1 3.65Å; W212-F231 HydrophobicContact CD2-CE1 3.65Å; W212-F231 HydrophobicContact CD2-CZ 4.13Å; W212-F231 AromaticContact CE2-CD1 3.97Å; W212-F231 AromaticContact CE2-CE1 3.27Å; W212-F231 AromaticContact CE2-CZ 3.73Å; W212-F231 HydrophobicContact CE3-CE1 4.27Å; W212-F231 HydrophobicContact CE3-CZ 4.34Å; W212-F231 HydrophobicContact CG-CE1 4.02Å; W212-F231 HydrophobicContact CH2-CE1 4.3Å; W212-F231 AromaticContact CH2-CZ 3.89Å; W212-F231 HydrophobicContact CH2-CZ 3.89Å; W212-F231 HydrophobicContact CZ2-CD1 4.38Å; W212-F231 AromaticContact CZ2-CE1 3.65Å; W212-F231 HydrophobicContact CZ2-CE1 3.65Å; W212-F231 HydrophobicContact CZ2-CE2 4.34Å; W212-F231 AromaticContact CZ2-CZ 3.61Å; W212-F231 HydrophobicContact CZ2-CZ 3.61Å; W212-F231 HydrophobicContact CZ3-CZ 4.24Å; W212-F231 AromaticContact NE1-CD1 3.65Å; W212-F231 AromaticContact NE1-CE1 3.38Å; F231-L233 HydrophobicContact CD2-CD1 4.15Å; F231-L233 HydrophobicContact CD2-CG 4.09Å; F231-L233 HydrophobicContact CE2-CD1 3.84Å; F231-L233 HydrophobicContact CE2-CG 4.25Å |
| 232 | T | 94.4 | Very high | 75.2 | Confident | 31 Ų | 31 | 61.2 Ų | 61.2 | 19% | 0.19 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.2 | -174.6 | -48.1 | 0 | 0 | 0 | 0 | 110.3 | V208 I563 | V208-T232 WeakPolarHBondContact O-CA 3.36Å; V208-T232 WeakPolarHBondContact O-CG2 3.29Å; T232-I563 WeakPolarHBondContact CB-O 3.48Å; T232-I563 HydrophobicContact CG2-CG1 4.2Å; T232-I563 VanDerWaalsContact CG2-O 3.23Å; T232-I563 WeakPolarHBondContact CG2-O 3.4Å; T232-I563 PolarHBondContact OG1-O 3.39Å |
| 233 | L | 94.6 | Very high | 77.6 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 163.4 | 175.6 | -68.8 | 177.9 | 0 | 0 | 0 | 109.6 | R207 V208 L210 F231 N237 L240 | R207-L233 WeakPolarHBondContact CA-O 3.31Å; V208-L233 WeakPolarHBondContact CG2-O 3.43Å; V208-L233 PolarHBondContact N-O 2.86Å; V208-L233 PolarHBondContact O-N 2.76Å; V208-L233 VanDerWaalsContact O-N 3.16Å; L210-L233 HydrophobicContact CD1-CB 4.44Å; L210-L233 HydrophobicContact CD1-CD1 4.42Å; F231-L233 HydrophobicContact CD2-CD1 4.15Å; F231-L233 HydrophobicContact CD2-CG 4.09Å; F231-L233 HydrophobicContact CE2-CD1 3.84Å; F231-L233 HydrophobicContact CE2-CG 4.25Å; L233-N237 HydrophobicContact CB-CB 4.32Å; L233-L240 HydrophobicContact CB-CD1 3.73Å; L233-L240 HydrophobicContact CD1-CD1 3.9Å; L233-L240 HydrophobicContact CD1-CD2 4.5Å; L233-L240 HydrophobicContact CD1-CG 3.91Å; L233-L240 HydrophobicContact CG-CD1 4.48Å |
| 234 | F | 95.5 | Very high | 80 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 143 | 159.8 | -158.3 | -96.1 | 0 | 0 | 0 | 108.9 | H27 G205 G206 R207 L236 N237 Y617 W621 | H27-F234 HydrophobicContact CB-CD1 4.19Å; H27-F234 HydrophobicContact CB-CE1 4.15Å; H27-F234 AromaticContact CD2-CD1 3.67Å; H27-F234 AromaticContact CD2-CE1 3.73Å; H27-F234 AromaticContact CD2-CG 3.85Å; H27-F234 AromaticContact CD2-CZ 3.95Å; H27-F234 WeakPolarHBondContact O-CE1 3.34Å; G205-F234 WeakPolarHBondContact O-CE2 3.47Å; G206-F234 CarbonylContact O-C 3.56Å; G206-F234 WeakPolarHBondContact O-CA 3.5Å; R207-F234 HydrophobicContact CG-CD2 3.78Å; R207-F234 HydrophobicContact CG-CE2 4.36Å; F234-L236 HydrophobicContact CD1-CB 3.98Å; F234-L236 HydrophobicContact CD1-CG 4.35Å; F234-L236 HydrophobicContact CE1-CB 4.26Å; F234-L236 HydrophobicContact CE1-CD1 4.09Å; F234-L236 HydrophobicContact CE1-CG 4.19Å; F234-L236 PolarHBondContact O-N 3Å; F234-N237 WeakPolarHBondContact O-CB 3.25Å; F234-N237 PolarHBondContact O-N 2.91Å; F234-Y617 AromaticContact CD2-CE1 3.91Å; F234-Y617 HydrophobicContact CD2-CE1 3.91Å; F234-Y617 AromaticContact CE2-CE1 3.97Å; F234-Y617 HydrophobicContact CE2-CE1 3.97Å; F234-W621 HydrophobicContact CE2-CZ2 4.18Å |
| 235 | Y | 93.2 | Very high | 82.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22.5 | -173.4 | 82.2 | -78.2 | 0 | 0 | 0 | 114.7 | S31 T174 F175 I178 G206 N237 I295 | S31-Y235 WeakPolarHBondContact CA-OH 3.44Å; T174-Y235 WeakPolarHBondContact CG2-OH 3.44Å; F175-Y235 HydrophobicContact CB-CE1 4.19Å; I178-Y235 HydrophobicContact CD1-CD1 3.63Å; I178-Y235 HydrophobicContact CD1-CD2 3.87Å; I178-Y235 HydrophobicContact CD1-CE1 4.21Å; I178-Y235 HydrophobicContact CD1-CE2 4.43Å; I178-Y235 HydrophobicContact CD1-CG 3.42Å; I178-Y235 VanDerWaalsContact CD1-CG 3.42Å; I178-Y235 HydrophobicContact CG1-CG 4.49Å; G206-Y235 WeakPolarHBondContact O-CD1 3.35Å; G206-Y235 PolarHBondContact O-N 2.8Å; Y235-N237 VanDerWaalsContact C-N 3.31Å; Y235-I295 HydrophobicContact CE2-CG2 3.96Å |
| 236 | L | 91.3 | Very high | 84.4 | Confident | 23 Ų | 23 | 40.9 Ų | 40.9 | 12% | 0.12 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 15 | 170.6 | -57.8 | 173 | 0 | 0 | 0 | 113.2 | H27 Q30 F234 I295 | H27-L236 HydrophobicContact CB-CB 4.35Å; H27-L236 HydrophobicContact CB-CD1 4.26Å; H27-L236 WeakPolarHBondContact O-CD1 3.26Å; Q30-L236 HydrophobicContact CB-CD1 3.85Å; Q30-L236 HydrophobicContact CG-CD1 3.99Å; F234-L236 HydrophobicContact CD1-CB 3.98Å; F234-L236 HydrophobicContact CD1-CG 4.35Å; F234-L236 HydrophobicContact CE1-CB 4.26Å; F234-L236 HydrophobicContact CE1-CD1 4.09Å; F234-L236 HydrophobicContact CE1-CG 4.19Å; F234-L236 PolarHBondContact O-N 3Å; L236-I295 HydrophobicContact CD2-CG2 3.84Å |
| 237 | N | 92.6 | Very high | 86.5 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 17% | 0.171 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -67.4 | 137 | 170.6 | -174.4 | -86.7 | 0 | 0 | 0 | 109.5 | L233 F234 Y235 R239 L240 T614 | L233-N237 HydrophobicContact CB-CB 4.32Å; F234-N237 WeakPolarHBondContact O-CB 3.25Å; F234-N237 PolarHBondContact O-N 2.91Å; Y235-N237 VanDerWaalsContact C-N 3.31Å; N237-R239 PolarHBondContact O-N 3.46Å; N237-R239 PolarHBondContact OD1-N 2.81Å; N237-L240 PolarHBondContact O-N 3.28Å; N237-T614 HydrophobicContact CB-CG2 4.47Å; N237-T614 PolarHBondContact ND2-OG1 2.79Å |
| 238 | R | 88.7 | Confident | 88.1 | Confident | 55 Ų | 55 | 41.5 Ų | 41.5 | 21% | 0.208 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -40.9 | -33.5 | -179.5 | -165.7 | -155.8 | 83.1 | -159.1 | 1.5 | 114.7 | E187 H241 Y338 | E187-R238 IonicContact OE2-CZ 3.44Å; E187-R238 IonicContact OE2-NE 3.66Å; E187-R238 PolarHBondContact OE2-NE 3.42Å; E187-R238 IonicContact OE2-NH2 2.66Å; E187-R238 PolarHBondContact OE2-NH2 2.88Å; R238-H241 PolarHBondContact O-CE1 2.9Å; R238-H241 PolarHBondContact O-NE2 2.64Å; R238-Y338 WeakPolarHBondContact CD-OH 3.36Å |
| 239 | R | 92.8 | Very high | 89.2 | Confident | 27 Ų | 27 | 36.7 Ų | 36.7 | 10% | 0.102 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -11.5 | -176.5 | -66.9 | 175.8 | 53.1 | -164.8 | -0.9 | 115.1 | C186 E187 D189 N237 | C186-R239 CarbonylContact C-O 3.53Å; C186-R239 WeakPolarHBondContact CA-O 3.26Å; E187-R239 HydrophobicContact CB-CB 3.93Å; E187-R239 HydrophobicContact CB-CG 3.97Å; E187-R239 PolarHBondContact N-O 2.88Å; E187-R239 VanDerWaalsContact O-CZ 3.3Å; E187-R239 PolarHBondContact O-NE 3.17Å; E187-R239 PolarHBondContact O-NH2 3.29Å; D189-R239 VanDerWaalsContact CG-CZ 3.46Å; D189-R239 IonicContact OD1-CZ 3.58Å; D189-R239 IonicContact OD1-NH1 2.89Å; D189-R239 PolarHBondContact OD1-NH1 3.12Å; D189-R239 IonicContact OD1-NH2 2.69Å; D189-R239 PolarHBondContact OD1-NH2 3.04Å; D189-R239 IonicContact OD2-CZ 3.56Å; D189-R239 IonicContact OD2-NH1 3.73Å; D189-R239 PolarHBondContact OD2-NH1 3.23Å; D189-R239 IonicContact OD2-NH2 2.92Å; N237-R239 PolarHBondContact O-N 3.46Å; N237-R239 PolarHBondContact OD1-N 2.81Å |
| 240 | L | 92.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129 | -175 | -77.5 | 171.1 | 0 | 0 | 0 | 111.8 | F184 C186 V208 L210 L233 N237 F296 | F184-L240 HydrophobicContact CB-CD2 3.87Å; F184-L240 HydrophobicContact CD2-CD2 4.43Å; F184-L240 HydrophobicContact CG-CD2 4.29Å; C186-L240 HydrophobicContact CB-CD2 3.79Å; V208-L240 HydrophobicContact CG2-CD1 4.05Å; L210-L240 HydrophobicContact CD1-CD1 3.84Å; L210-L240 HydrophobicContact CD1-CD2 3.64Å; L210-L240 HydrophobicContact CD1-CG 4.3Å; L233-L240 HydrophobicContact CB-CD1 3.73Å; L233-L240 HydrophobicContact CD1-CD1 3.9Å; L233-L240 HydrophobicContact CD1-CD2 4.5Å; L233-L240 HydrophobicContact CD1-CG 3.91Å; L233-L240 HydrophobicContact CG-CD1 4.48Å; N237-L240 PolarHBondContact O-N 3.28Å; L240-F296 WeakPolarHBondContact O-CE1 3.47Å |
| 241 | H | 89.6 | Confident | 89.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.3 | -173.2 | -57.4 | -71.9 | 0 | 0 | 0 | 111.1 | E185 E187 R238 Y245 | E185-H241 PolarHBondContact N-O 3.37Å; E185-H241 PolarHBondContact O-N 3.18Å; E187-H241 IonicContact OE1-CD2 2.75Å; E187-H241 IonicContact OE1-CE1 3.16Å; E187-H241 IonicContact OE1-NE2 3.07Å; E187-H241 PolarHBondContact OE1-NE2 2.9Å; R238-H241 PolarHBondContact O-CE1 2.9Å; R238-H241 PolarHBondContact O-NE2 2.64Å; H241-Y245 HydrophobicContact CB-CD1 3.47Å; H241-Y245 VanDerWaalsContact CB-CD1 3.47Å; H241-Y245 HydrophobicContact CB-CD2 4.15Å; H241-Y245 HydrophobicContact CB-CE1 4.18Å; H241-Y245 HydrophobicContact CB-CG 3.44Å; H241-Y245 VanDerWaalsContact CB-CG 3.44Å; H241-Y245 AromaticContact CD2-CD1 3.46Å; H241-Y245 VanDerWaalsContact CD2-CD1 3.46Å; H241-Y245 WeakPolarHBondContact CD2-CD1 3.49Å; H241-Y245 AromaticContact CD2-CE1 3.39Å; H241-Y245 WeakPolarHBondContact CD2-CE1 3.04Å; H241-Y245 AromaticContact CE1-CE1 3.58Å; H241-Y245 AromaticContact CE1-CZ 3.56Å; H241-Y245 AromaticContact CG-CD1 3.27Å; H241-Y245 AromaticContact CG-CE1 3.46Å; H241-Y245 VanDerWaalsContact CG-CE1 3.46Å; H241-Y245 AromaticContact CG-CG 3.62Å; H241-Y245 AromaticContact CG-CZ 3.97Å; H241-Y245 AromaticContact ND1-CD1 3.79Å; H241-Y245 AromaticContact ND1-CD2 3.97Å; H241-Y245 AromaticContact ND1-CE1 3.59Å; H241-Y245 AromaticContact ND1-CE2 3.79Å; H241-Y245 AromaticContact ND1-CG 3.96Å; H241-Y245 AromaticContact ND1-CZ 3.59Å; H241-Y245 AromaticContact NE2-CE1 3.45Å; H241-Y245 WeakPolarHBondContact NE2-CE1 3.35Å; H241-Y245 AromaticContact NE2-CZ 3.9Å |
| 242 | P | 88.4 | Confident | 89.7 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 20% | 0.201 | 24% | 0.237 | C | C | . | . | trans | -64.1 | 157.5 | 171.7 | 28.4 | -35.5 | 0 | 0 | 0 | 111.7 | G244 Y245 L292 F296 | P242-G244 PolarHBondContact O-N 2.81Å; P242-Y245 VanDerWaalsContact O-CB 3.26Å; P242-Y245 WeakPolarHBondContact O-CB 3.48Å; P242-Y245 PolarHBondContact O-N 3.24Å; P242-L292 HydrophobicContact CB-CD2 4.28Å; P242-L292 HydrophobicContact CG-CD2 4.5Å; P242-F296 HydrophobicContact CG-CD2 4.29Å | ||
| 243 | L | 87 | Confident | 89.6 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 137.9 | 177.1 | -65.5 | -177.7 | 0 | 0 | 0 | 111.8 | E185 F271 I272 A275 P277 | E185-L243 HydrophobicContact CG-CD2 4.14Å; L243-F271 HydrophobicContact CD2-CE1 4.47Å; L243-I272 HydrophobicContact CB-CG2 4.45Å; L243-A275 HydrophobicContact CD1-CB 4.1Å; L243-P277 HydrophobicContact CD1-CB 4.2Å |
| 244 | G | 84.8 | Confident | 89.4 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -8.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E185 P242 G246 K247 L248 | E185-G244 VanDerWaalsContact CD-N 3.28Å; E185-G244 PolarHBondContact OE1-N 2.88Å; E185-G244 PolarHBondContact OE2-N 2.88Å; P242-G244 PolarHBondContact O-N 2.81Å; G244-G246 PolarHBondContact O-N 2.77Å; G244-K247 PolarHBondContact O-N 2.96Å; G244-K247 VanDerWaalsContact O-N 3.14Å; G244-L248 PolarHBondContact O-N 2.83Å |
| 245 | Y | 86.9 | Confident | 89 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 176.7 | 174 | -94.7 | 0 | 0 | 0 | 112.2 | E185 H241 P242 K247 L248 C249 L251 | E185-Y245 PolarHBondContact OE2-N 3.4Å; H241-Y245 HydrophobicContact CB-CD1 3.47Å; H241-Y245 VanDerWaalsContact CB-CD1 3.47Å; H241-Y245 HydrophobicContact CB-CD2 4.15Å; H241-Y245 HydrophobicContact CB-CE1 4.18Å; H241-Y245 HydrophobicContact CB-CG 3.44Å; H241-Y245 VanDerWaalsContact CB-CG 3.44Å; H241-Y245 AromaticContact CD2-CD1 3.46Å; H241-Y245 VanDerWaalsContact CD2-CD1 3.46Å; H241-Y245 WeakPolarHBondContact CD2-CD1 3.49Å; H241-Y245 AromaticContact CD2-CE1 3.39Å; H241-Y245 WeakPolarHBondContact CD2-CE1 3.04Å; H241-Y245 AromaticContact CE1-CE1 3.58Å; H241-Y245 AromaticContact CE1-CZ 3.56Å; H241-Y245 AromaticContact CG-CD1 3.27Å; H241-Y245 AromaticContact CG-CE1 3.46Å; H241-Y245 VanDerWaalsContact CG-CE1 3.46Å; H241-Y245 AromaticContact CG-CG 3.62Å; H241-Y245 AromaticContact CG-CZ 3.97Å; H241-Y245 AromaticContact ND1-CD1 3.79Å; H241-Y245 AromaticContact ND1-CD2 3.97Å; H241-Y245 AromaticContact ND1-CE1 3.59Å; H241-Y245 AromaticContact ND1-CE2 3.79Å; H241-Y245 AromaticContact ND1-CG 3.96Å; H241-Y245 AromaticContact ND1-CZ 3.59Å; H241-Y245 AromaticContact NE2-CE1 3.45Å; H241-Y245 WeakPolarHBondContact NE2-CE1 3.35Å; H241-Y245 AromaticContact NE2-CZ 3.9Å; P242-Y245 VanDerWaalsContact O-CB 3.26Å; P242-Y245 WeakPolarHBondContact O-CB 3.48Å; P242-Y245 PolarHBondContact O-N 3.24Å; Y245-K247 PolarHBondContact O-N 3.26Å; Y245-L248 WeakPolarHBondContact O-CB 3.44Å; Y245-L248 PolarHBondContact O-N 2.8Å; Y245-C249 HydrophobicContact CE1-CB 4.35Å; Y245-C249 VanDerWaalsContact CE2-SG 3.56Å; Y245-C249 PolarHBondContact O-N 3.44Å; Y245-L251 HydrophobicContact CD1-CD1 4.2Å; Y245-L251 HydrophobicContact CE1-CD1 3.86Å |
| 246 | G | 87 | Confident | 88.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59 | -31.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E185 G244 D250 L251 Y253 | E185-G246 PolarHBondContact OE2-N 3.43Å; G244-G246 PolarHBondContact O-N 2.77Å; G246-D250 PolarHBondContact O-N 3.1Å; G246-L251 PolarHBondContact O-N 3.24Å; G246-Y253 WeakPolarHBondContact CA-OH 3.29Å |
| 247 | K | 85.8 | Confident | 88 | Confident | 120 Ų | 120 | 54.4 Ų | 54.4 | 52% | 0.522 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -80.2 | -31.5 | 176.1 | -169.7 | 173.1 | -172.5 | 176.9 | 0 | 112.3 | G244 Y245 C249 Y253 D269 | G244-K247 PolarHBondContact O-N 2.96Å; G244-K247 VanDerWaalsContact O-N 3.14Å; Y245-K247 PolarHBondContact O-N 3.26Å; K247-C249 VanDerWaalsContact C-N 3.33Å; K247-Y253 HydrophobicContact CB-CE2 4.35Å; K247-Y253 PolarHBondContact N-OH 3.31Å; K247-D269 WeakPolarHBondContact CD-OD1 3.18Å; K247-D269 IonicContact NZ-OD1 2.76Å; K247-D269 PolarHBondContact NZ-OD1 3.15Å; K247-D269 IonicContact NZ-OD2 3.25Å; K247-D269 PolarHBondContact NZ-OD2 3.42Å |
| 248 | L | 83.9 | Confident | 87.1 | Confident | 147 Ų | 147 | 57 Ų | 57 | 77% | 0.77 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -68.3 | -32.1 | 174.7 | -177.3 | 65 | 0 | 0 | 0 | 112.4 | G244 Y245 | G244-L248 PolarHBondContact O-N 2.83Å; Y245-L248 WeakPolarHBondContact O-CB 3.44Å; Y245-L248 PolarHBondContact O-N 2.8Å |
| 249 | C | 84.1 | Confident | 86.4 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 16.4 | -177.4 | -65.3 | 0 | 0 | 0 | 0 | 114.2 | Y245 K247 L251 | Y245-C249 HydrophobicContact CE1-CB 4.35Å; Y245-C249 VanDerWaalsContact CE2-SG 3.56Å; Y245-C249 PolarHBondContact O-N 3.44Å; K247-C249 VanDerWaalsContact C-N 3.33Å; C249-L251 HydrophobicContact CB-CD2 4.46Å; C249-L251 HydrophobicContact CB-CG 4.1Å; C249-L251 PolarHBondContact O-N 2.76Å |
| 250 | D | 88.1 | Confident | 85.2 | Confident | 157 Ų | 157 | 61.8 Ų | 61.8 | 84% | 0.84 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 40.2 | -179.7 | -155.4 | 31.4 | 0 | 0 | 0 | 114.8 | G246 | G246-D250 PolarHBondContact O-N 3.1Š|
| 251 | L | 89.3 | Confident | 84.2 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | trans | -82 | 142.9 | 177.7 | -56 | -174.5 | 0 | 0 | 0 | 111.4 | V195 Y245 G246 C249 Y253 | V195-L251 HydrophobicContact CB-CB 4.21Å; V195-L251 HydrophobicContact CB-CD1 4.23Å; V195-L251 HydrophobicContact CG1-CB 3.75Å; Y245-L251 HydrophobicContact CD1-CD1 4.2Å; Y245-L251 HydrophobicContact CE1-CD1 3.86Å; G246-L251 PolarHBondContact O-N 3.24Å; C249-L251 HydrophobicContact CB-CD2 4.46Å; C249-L251 HydrophobicContact CB-CG 4.1Å; C249-L251 PolarHBondContact O-N 2.76Å; L251-Y253 WeakPolarHBondContact O-CD2 3.3Å; L251-Y253 PolarHBondContact O-N 2.91Å | ||
| 252 | K | 93 | Very high | 83 | Confident | 138 Ų | 138 | 69.6 Ų | 69.6 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 112.5 | 179.4 | -175.5 | -178 | 176.1 | -177.7 | 0 | 111 | T193 C194 V195 C254 | T193-K252 PolarHBondContact O-N 2.92Å; C194-K252 WeakPolarHBondContact CA-O 3.24Å; V195-K252 PolarHBondContact N-O 2.69Å; K252-C254 PolarHBondContact O-N 2.64Å |
| 253 | Y | 92.1 | Very high | 82 | Confident | 47 Ų | 47 | 77.7 Ų | 77.7 | 18% | 0.184 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 105.2 | 171.4 | -71.5 | -95.8 | 0 | 0 | 0 | 111.1 | E185 V195 G246 K247 L251 I268 I272 | E185-Y253 HydrophobicContact CG-CE1 4.18Å; E185-Y253 PolarHBondContact OE1-OH 2.72Å; E185-Y253 PolarHBondContact OE2-OH 3.42Å; V195-Y253 HydrophobicContact CG1-CD1 3.8Å; V195-Y253 HydrophobicContact CG1-CD2 4.14Å; V195-Y253 HydrophobicContact CG1-CE1 3.94Å; V195-Y253 HydrophobicContact CG1-CE2 4.26Å; V195-Y253 HydrophobicContact CG1-CG 3.94Å; V195-Y253 WeakPolarHBondContact O-CA 3.46Å; G246-Y253 WeakPolarHBondContact CA-OH 3.29Å; K247-Y253 HydrophobicContact CB-CE2 4.35Å; K247-Y253 PolarHBondContact N-OH 3.31Å; L251-Y253 WeakPolarHBondContact O-CD2 3.3Å; L251-Y253 PolarHBondContact O-N 2.91Å; Y253-I268 HydrophobicContact CD1-CD1 3.62Å; Y253-I268 HydrophobicContact CD1-CG1 3.54Å; Y253-I268 HydrophobicContact CD2-CG1 4.28Å; Y253-I268 HydrophobicContact CE1-CD1 4.03Å; Y253-I268 HydrophobicContact CE1-CG1 3.75Å; Y253-I268 HydrophobicContact CE2-CG1 4.48Å; Y253-I268 HydrophobicContact CG-CD1 4.21Å; Y253-I268 HydrophobicContact CG-CG1 3.8Å; Y253-I272 HydrophobicContact CE1-CD1 4.28Å; Y253-I272 WeakPolarHBondContact OH-CD1 3.46Å |
| 254 | C | 90.1 | Very high | 80.9 | Confident | 27 Ų | 27 | 80 Ų | 80 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | trans | -151.4 | 151.4 | 172.5 | 52.8 | 0 | 0 | 0 | 0 | 111.5 | H188 V195 W196 K252 | H188-C254 PolarHBondContact CE1-O 2.85Å; H188-C254 VanDerWaalsContact CE1-O 3.23Å; H188-C254 PolarHBondContact NE2-O 3.37Å; V195-C254 PolarHBondContact O-N 3.47Å; V195-C254 VanDerWaalsContact O-N 3.12Å; W196-C254 WeakPolarHBondContact CB-O 3.45Å; K252-C254 PolarHBondContact O-N 2.64Å | ||
| 255 | P | 87.3 | Confident | 80.3 | Confident | 39 Ų | 39 | 80.8 Ų | 80.8 | 25% | 0.253 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 155.9 | 176 | 29.9 | -37.7 | 0 | 0 | 0 | 111.7 | H188 W196 Y259 L261 | H188-P255 PolarHBondContact CE1-O 3.05Å; H188-P255 VanDerWaalsContact CE1-O 3.25Å; W196-P255 HydrophobicContact CD2-CB 4.38Å; W196-P255 HydrophobicContact CZ2-CB 4.46Å; P255-Y259 HydrophobicContact CB-CD1 4.39Å; P255-L261 HydrophobicContact CB-CD1 4.07Å; P255-L261 HydrophobicContact CB-CD2 4.29Å; P255-L261 HydrophobicContact CB-CG 4.08Å; P255-L261 HydrophobicContact CG-CD1 3.77Å; P255-L261 HydrophobicContact CG-CG 4.13Å |
| 256 | P | 84.9 | Confident | 79.6 | Confident | 16 Ų | 16 | 84.5 Ų | 84.5 | 10% | 0.104 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 151.6 | 176.5 | -24.9 | 33.3 | 0 | 0 | 0 | 113.8 | W212 G258 Y259 | W212-P256 HydrophobicContact CD2-CG 3.55Å; W212-P256 VanDerWaalsContact CE2-CG 3.42Å; W212-P256 HydrophobicContact CE3-CG 3.98Å; W212-P256 HydrophobicContact CG-CG 3.96Å; W212-P256 HydrophobicContact CH2-CG 4.13Å; W212-P256 HydrophobicContact CZ2-CG 3.74Å; W212-P256 HydrophobicContact CZ3-CG 4.23Å; P256-G258 PolarHBondContact O-N 3.43Å; P256-Y259 VanDerWaalsContact O-CB 3.22Å; P256-Y259 WeakPolarHBondContact O-CB 3.37Å; P256-Y259 PolarHBondContact O-N 2.76Å |
| 257 | P | 78.9 | Confident | 79.5 | Confident | 114 Ų | 114 | 88.3 Ų | 88.3 | 74% | 0.74 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 135.4 | 175.7 | -27.4 | 35.5 | 0 | 0 | 0 | 112.8 | Y259 | P257-Y259 PolarHBondContact O-N 3.45Š|
| 258 | G | 73.1 | Confident | 79.5 | Confident | 86 Ų | 86 | 84.5 Ų | 84.5 | 89% | 0.887 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | -2.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | P256 | P256-G258 PolarHBondContact O-N 3.43Š|
| 259 | Y | 73.8 | Confident | 79.6 | Confident | 60 Ų | 60 | 79.6 Ų | 79.6 | 24% | 0.235 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -90.9 | 117.5 | 179.4 | -161.9 | -90.5 | 0 | 0 | 0 | 113 | T215 P255 P256 P257 L261 | T215-Y259 VanDerWaalsContact CA-OH 3.3Å; T215-Y259 WeakPolarHBondContact CA-OH 3.41Å; T215-Y259 HydrophobicContact CG2-CE1 4.4Å; T215-Y259 HydrophobicContact CG2-CE2 3.97Å; T215-Y259 VanDerWaalsContact CG2-OH 3.26Å; T215-Y259 WeakPolarHBondContact CG2-OH 3.33Å; P255-Y259 HydrophobicContact CB-CD1 4.39Å; P256-Y259 VanDerWaalsContact O-CB 3.22Å; P256-Y259 WeakPolarHBondContact O-CB 3.37Å; P256-Y259 PolarHBondContact O-N 2.76Å; P257-Y259 PolarHBondContact O-N 3.45Å; Y259-L261 HydrophobicContact CD1-CD2 4.24Å; Y259-L261 HydrophobicContact CE1-CD2 4.15Å |
| 260 | V | 68.9 | Low | 79.8 | Confident | 124 Ų | 124 | 79.4 Ų | 79.4 | 75% | 0.752 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -93.8 | 122.9 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 261 | L | 71 | Confident | 79.8 | Confident | 39 Ų | 39 | 73.2 Ų | 73.2 | 20% | 0.204 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -82 | 126.9 | 177.9 | -68.1 | 168.1 | 0 | 0 | 0 | 111.4 | W196 F213 P255 Y259 R263 | W196-L261 HydrophobicContact CH2-CD1 4.02Å; W196-L261 HydrophobicContact CZ2-CD1 3.6Å; W196-L261 HydrophobicContact CZ2-CD2 3.83Å; W196-L261 HydrophobicContact CZ2-CG 4.37Å; F213-L261 VanDerWaalsContact O-CD2 3.29Å; F213-L261 WeakPolarHBondContact O-CD2 3.41Å; P255-L261 HydrophobicContact CB-CD1 4.07Å; P255-L261 HydrophobicContact CB-CD2 4.29Å; P255-L261 HydrophobicContact CB-CG 4.08Å; P255-L261 HydrophobicContact CG-CD1 3.77Å; P255-L261 HydrophobicContact CG-CG 4.13Å; Y259-L261 HydrophobicContact CD1-CD2 4.24Å; Y259-L261 HydrophobicContact CE1-CD2 4.15Å; L261-R263 PolarHBondContact O-N 3Å |
| 262 | E | 65.1 | Low | 79.7 | Confident | 126 Ų | 126 | 73.4 Ų | 73.4 | 59% | 0.589 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -63.9 | -27.8 | 168 | -74.5 | -172.6 | -179.2 | 0 | 0 | 112.5 | S216 | S216-E262 VanDerWaalsContact CB-CD 3.47Å; S216-E262 WeakPolarHBondContact CB-OE1 3.24Å; S216-E262 WeakPolarHBondContact CB-OE2 3.04Å; S216-E262 PolarHBondContact OG-OE1 3.22Å |
| 263 | R | 66.1 | Low | 79.3 | Confident | 202 Ų | 202 | 75.5 Ų | 75.5 | 76% | 0.762 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -143.4 | 124.3 | 171.2 | -70.7 | -171.9 | 171.5 | 100.9 | -2.4 | 109.8 | L261 | L261-R263 PolarHBondContact O-N 3Š|
| 264 | A | 64.4 | Low | 79.1 | Confident | 79 Ų | 79 | 76.5 Ų | 76.5 | 65% | 0.653 | 45% | 0.45 | S | S | * | . | trans | -67.2 | 144.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S266 | A264-S266 PolarHBondContact O-N 3.09Š| ||
| 265 | I | 72 | Confident | 79.1 | Confident | 37 Ų | 37 | 76 Ų | 76 | 19% | 0.19 | 45% | 0.447 | C | S | . | . | trans | -74.8 | 103 | 167.1 | -56.8 | 177.4 | 0 | 0 | 0 | 107.1 | W196 P197 F213 N267 I268 F271 | W196-I265 HydrophobicContact CH2-CB 4.25Å; W196-I265 HydrophobicContact CH2-CD1 3.65Å; W196-I265 HydrophobicContact CH2-CG1 3.9Å; W196-I265 HydrophobicContact CZ2-CD1 3.71Å; W196-I265 HydrophobicContact CZ2-CG1 4Å; W196-I265 HydrophobicContact CZ3-CD1 4.28Å; P197-I265 HydrophobicContact CG-CD1 4.23Å; F213-I265 HydrophobicContact CD1-CD1 3.64Å; F213-I265 HydrophobicContact CD1-CG1 3.77Å; F213-I265 HydrophobicContact CE1-CD1 3.85Å; F213-I265 HydrophobicContact CE1-CG1 3.51Å; F213-I265 HydrophobicContact CG-CD1 4.41Å; F213-I265 HydrophobicContact CZ-CG1 4.47Å; I265-N267 VanDerWaalsContact C-N 3.27Å; I265-N267 WeakPolarHBondContact CG2-O 3.31Å; I265-N267 PolarHBondContact O-N 3.42Å; I265-I268 HydrophobicContact CD1-CD1 3.82Å; I265-I268 HydrophobicContact CG2-CB 4.44Å; I265-I268 HydrophobicContact CG2-CD1 4.06Å; I265-F271 HydrophobicContact CD1-CD2 4.47Å; I265-F271 HydrophobicContact CD1-CG 4.31Å; I265-F271 HydrophobicContact CG2-CB 3.97Å | ||
| 266 | S | 72.3 | Confident | 79.2 | Confident | 128 Ų | 128 | 76.1 Ų | 76.1 | 90% | 0.895 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -71.5 | -20.2 | -179.3 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | A264 | A264-S266 PolarHBondContact O-N 3.09Š|
| 267 | N | 85.6 | Confident | 79.4 | Confident | 81 Ų | 81 | 77.6 Ų | 77.6 | 43% | 0.433 | 46% | 0.458 | S | S | . | . | trans | -150.9 | 107.7 | 176.2 | -173.9 | -48.9 | 0 | 0 | 0 | 109.7 | I265 D269 A270 F271 | I265-N267 VanDerWaalsContact C-N 3.27Å; I265-N267 WeakPolarHBondContact CG2-O 3.31Å; I265-N267 PolarHBondContact O-N 3.42Å; N267-D269 WeakPolarHBondContact OD1-CB 3.37Å; N267-D269 PolarHBondContact OD1-N 3.15Å; N267-D269 VanDerWaalsContact OD1-N 3.16Å; N267-A270 HydrophobicContact CB-CB 3.93Å; N267-A270 PolarHBondContact O-N 3.18Å; N267-A270 PolarHBondContact OD1-N 2.97Å; N267-F271 PolarHBondContact O-N 3.1Å | ||
| 268 | I | 86.1 | Confident | 80 | Confident | 40 Ų | 40 | 72.2 Ų | 72.2 | 21% | 0.205 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.7 | -32.7 | -176.1 | -165.4 | 66.4 | 0 | 0 | 0 | 112.5 | P197 Y253 I265 A270 F271 I272 | P197-I268 HydrophobicContact CG-CD1 4.31Å; Y253-I268 HydrophobicContact CD1-CD1 3.62Å; Y253-I268 HydrophobicContact CD1-CG1 3.54Å; Y253-I268 HydrophobicContact CD2-CG1 4.28Å; Y253-I268 HydrophobicContact CE1-CD1 4.03Å; Y253-I268 HydrophobicContact CE1-CG1 3.75Å; Y253-I268 HydrophobicContact CE2-CG1 4.48Å; Y253-I268 HydrophobicContact CG-CD1 4.21Å; Y253-I268 HydrophobicContact CG-CG1 3.8Å; I265-I268 HydrophobicContact CD1-CD1 3.82Å; I265-I268 HydrophobicContact CG2-CB 4.44Å; I265-I268 HydrophobicContact CG2-CD1 4.06Å; I268-A270 VanDerWaalsContact C-N 3.32Å; I268-A270 PolarHBondContact O-N 2.93Å; I268-F271 HydrophobicContact CD1-CB 4.43Å; I268-F271 HydrophobicContact CD1-CD1 4.32Å; I268-F271 CarbonylContact O-C 3.53Å; I268-F271 WeakPolarHBondContact O-CB 3.27Å; I268-F271 PolarHBondContact O-N 3.26Å; I268-F271 VanDerWaalsContact O-N 3.15Å; I268-I272 HydrophobicContact CG1-CD1 3.95Å; I268-I272 HydrophobicContact CG1-CG1 4.39Å; I268-I272 WeakPolarHBondContact O-CG1 3.31Å; I268-I272 PolarHBondContact O-N 2.92Å |
| 269 | D | 86 | Confident | 80.4 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 24% | 0.235 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.5 | -35 | 175.1 | -75.7 | -11.9 | 0 | 0 | 0 | 112.1 | K247 N267 F271 R273 | K247-D269 WeakPolarHBondContact CD-OD1 3.18Å; K247-D269 IonicContact NZ-OD1 2.76Å; K247-D269 PolarHBondContact NZ-OD1 3.15Å; K247-D269 IonicContact NZ-OD2 3.25Å; K247-D269 PolarHBondContact NZ-OD2 3.42Å; N267-D269 WeakPolarHBondContact OD1-CB 3.37Å; N267-D269 PolarHBondContact OD1-N 3.15Å; N267-D269 VanDerWaalsContact OD1-N 3.16Å; D269-F271 VanDerWaalsContact C-N 3.34Å; D269-R273 WeakPolarHBondContact O-CB 3.46Å; D269-R273 WeakPolarHBondContact O-CG 3.21Å; D269-R273 PolarHBondContact O-N 3.37Å; D269-R273 PolarHBondContact O-NE 2.76Å |
| 270 | A | 87.2 | Confident | 80.2 | Confident | 53 Ų | 53 | 68.5 Ų | 68.5 | 44% | 0.438 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68 | -35.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N267 I268 G274 | N267-A270 HydrophobicContact CB-CB 3.93Å; N267-A270 PolarHBondContact O-N 3.18Å; N267-A270 PolarHBondContact OD1-N 2.97Å; I268-A270 VanDerWaalsContact C-N 3.32Å; I268-A270 PolarHBondContact O-N 2.93Å; A270-G274 PolarHBondContact O-N 2.81Å; A270-G274 VanDerWaalsContact O-N 3.13Å |
| 271 | F | 88.8 | Confident | 79.8 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.7 | -53.3 | 170.6 | 178.6 | -91.7 | 0 | 0 | 0 | 111.5 | Y183 P197 F213 L243 I265 N267 I268 D269 R273 G274 A275 | Y183-F271 AromaticContact CD1-CZ 3.98Å; Y183-F271 HydrophobicContact CD1-CZ 3.98Å; Y183-F271 HydrophobicContact CD2-CZ 4.22Å; Y183-F271 HydrophobicContact CE1-CZ 4.22Å; Y183-F271 HydrophobicContact CE2-CZ 4.46Å; Y183-F271 AromaticContact CG-CZ 3.98Å; Y183-F271 HydrophobicContact CG-CZ 3.98Å; P197-F271 HydrophobicContact CB-CD1 4.46Å; P197-F271 HydrophobicContact CB-CE1 3.54Å; P197-F271 HydrophobicContact CB-CZ 3.81Å; P197-F271 HydrophobicContact CG-CD1 3.98Å; P197-F271 HydrophobicContact CG-CE1 3.53Å; P197-F271 HydrophobicContact CG-CZ 4.17Å; F213-F271 AromaticContact CD2-CE2 3.62Å; F213-F271 HydrophobicContact CD2-CE2 3.62Å; F213-F271 HydrophobicContact CD2-CZ 4.02Å; F213-F271 HydrophobicContact CE2-CD2 4.2Å; F213-F271 AromaticContact CE2-CE2 3.51Å; F213-F271 HydrophobicContact CE2-CE2 3.51Å; F213-F271 HydrophobicContact CE2-CZ 4.36Å; F213-F271 HydrophobicContact CG-CE2 4.28Å; F213-F271 HydrophobicContact CG-CZ 4.49Å; F213-F271 HydrophobicContact CZ-CD2 4.34Å; F213-F271 HydrophobicContact CZ-CE2 4.09Å; L243-F271 HydrophobicContact CD2-CE1 4.47Å; I265-F271 HydrophobicContact CD1-CD2 4.47Å; I265-F271 HydrophobicContact CD1-CG 4.31Å; I265-F271 HydrophobicContact CG2-CB 3.97Å; N267-F271 PolarHBondContact O-N 3.1Å; I268-F271 HydrophobicContact CD1-CB 4.43Å; I268-F271 HydrophobicContact CD1-CD1 4.32Å; I268-F271 CarbonylContact O-C 3.53Å; I268-F271 WeakPolarHBondContact O-CB 3.27Å; I268-F271 PolarHBondContact O-N 3.26Å; I268-F271 VanDerWaalsContact O-N 3.15Å; D269-F271 VanDerWaalsContact C-N 3.34Å; F271-R273 VanDerWaalsContact C-N 3.28Å; F271-R273 PolarHBondContact O-N 3.29Å; F271-G274 PolarHBondContact O-N 3.12Å; F271-A275 HydrophobicContact CD1-CB 4.15Å; F271-A275 HydrophobicContact CD2-CB 4.22Å; F271-A275 HydrophobicContact CE1-CB 3.74Å; F271-A275 HydrophobicContact CE2-CB 3.83Å; F271-A275 HydrophobicContact CG-CB 4.37Å; F271-A275 HydrophobicContact CZ-CB 3.57Å; F271-A275 WeakPolarHBondContact O-CB 3.32Å; F271-A275 PolarHBondContact O-N 3.02Å |
| 272 | I | 86.6 | Confident | 78.7 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 17% | 0.174 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.7 | -38 | -177.7 | -68.8 | 163.1 | 0 | 0 | 0 | 111.8 | L243 Y253 I268 | L243-I272 HydrophobicContact CB-CG2 4.45Å; Y253-I272 HydrophobicContact CE1-CD1 4.28Å; Y253-I272 WeakPolarHBondContact OH-CD1 3.46Å; I268-I272 HydrophobicContact CG1-CD1 3.95Å; I268-I272 HydrophobicContact CG1-CG1 4.39Å; I268-I272 WeakPolarHBondContact O-CG1 3.31Å; I268-I272 PolarHBondContact O-N 2.92Å |
| 273 | R | 85.5 | Confident | 77.6 | Confident | 182 Ų | 182 | 66.1 Ų | 66.1 | 69% | 0.687 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -78.1 | -20.6 | 176.4 | -69.2 | -178.9 | -63.8 | -120.3 | -3.6 | 114.8 | D269 F271 | D269-R273 WeakPolarHBondContact O-CB 3.46Å; D269-R273 WeakPolarHBondContact O-CG 3.21Å; D269-R273 PolarHBondContact O-N 3.37Å; D269-R273 PolarHBondContact O-NE 2.76Å; F271-R273 VanDerWaalsContact C-N 3.28Å; F271-R273 PolarHBondContact O-N 3.29Å |
| 274 | G | 87.9 | Confident | 76 | Confident | 68 Ų | 68 | 60.4 Ų | 60.4 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -108.8 | -17.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A270 F271 | A270-G274 PolarHBondContact O-N 2.81Å; A270-G274 VanDerWaalsContact O-N 3.13Å; F271-G274 PolarHBondContact O-N 3.12Å |
| 275 | A | 88.8 | Confident | 74.7 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 13% | 0.132 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -81.5 | 142.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y183 L243 F271 | Y183-A275 HydrophobicContact CD2-CB 3.98Å; Y183-A275 HydrophobicContact CE2-CB 4.44Å; L243-A275 HydrophobicContact CD1-CB 4.1Å; F271-A275 HydrophobicContact CD1-CB 4.15Å; F271-A275 HydrophobicContact CD2-CB 4.22Å; F271-A275 HydrophobicContact CE1-CB 3.74Å; F271-A275 HydrophobicContact CE2-CB 3.83Å; F271-A275 HydrophobicContact CG-CB 4.37Å; F271-A275 HydrophobicContact CZ-CB 3.57Å; F271-A275 WeakPolarHBondContact O-CB 3.32Å; F271-A275 PolarHBondContact O-N 3.02Å |
| 276 | C | 89.9 | Confident | 73.1 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 28% | 0.284 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 126.9 | 171.6 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | R179 G182 Y183 | R179-C276 WeakPolarHBondContact CD-SG 3.13Å; R179-C276 PolarHBondContact NH1-SG 3.16Å; G182-C276 WeakPolarHBondContact CA-O 3.22Å; Y183-C276 PolarHBondContact N-O 3.14Å |
| 277 | P | 90.2 | Very high | 71.5 | Confident | 46 Ų | 46 | 66.2 Ų | 66.2 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -60.6 | 153.8 | 169.2 | 27.2 | -34.9 | 0 | 0 | 0 | 110.8 | L243 T279 | L243-P277 HydrophobicContact CD1-CB 4.2Å; P277-T279 VanDerWaalsContact C-N 3.34Å |
| 278 | A | 90.7 | Very high | 69.5 | Low | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -75.7 | -19.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I178 R179 Y183 F184 V200 | I178-A278 CarbonylContact C-O 3.58Å; I178-A278 VanDerWaalsContact CA-O 3.25Å; I178-A278 WeakPolarHBondContact CA-O 3.34Å; R179-A278 PolarHBondContact N-O 2.88Å; Y183-A278 VanDerWaalsContact C-CB 3.48Å; Y183-A278 WeakPolarHBondContact O-CB 3.14Å; Y183-A278 PolarHBondContact O-N 3.3Å; F184-A278 HydrophobicContact CD1-CB 3.82Å; F184-A278 HydrophobicContact CD2-CB 3.49Å; F184-A278 VanDerWaalsContact CD2-CB 3.49Å; F184-A278 HydrophobicContact CE1-CB 3.75Å; F184-A278 HydrophobicContact CE2-CB 3.42Å; F184-A278 VanDerWaalsContact CE2-CB 3.42Å; F184-A278 HydrophobicContact CG-CB 3.7Å; F184-A278 HydrophobicContact CZ-CB 3.55Å; V200-A278 HydrophobicContact CG2-CB 3.77Å |
| 279 | T | 82.6 | Confident | 67.3 | Low | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.018 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -107.4 | 146.9 | 172.5 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | F184 P277 N281 | F184-T279 HydrophobicContact CE1-CG2 4.07Å; F184-T279 HydrophobicContact CZ-CG2 4.3Å; P277-T279 VanDerWaalsContact C-N 3.34Å; T279-N281 VanDerWaalsContact C-N 3.32Å; T279-N281 PolarHBondContact O-N 3.33Å |
| 280 | Y | 69.2 | Low | 65.1 | Low | 66 Ų | 66 | 69.3 Ų | 69.3 | 26% | 0.259 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -75 | -11.2 | -174.4 | -78.4 | -63.7 | 0 | 0 | 0 | 116.4 | R169 T177 R179 D282 | R169-Y280 VanDerWaalsContact CD-CE2 3.49Å; R169-Y280 VanDerWaalsContact CD-CZ 3.49Å; R169-Y280 HydrophobicContact CG-CD2 3.82Å; R169-Y280 HydrophobicContact CG-CE2 3.84Å; R169-Y280 HydrophobicContact CG-CG 4.28Å; T177-Y280 WeakPolarHBondContact O-CD2 2.97Å; T177-Y280 PolarHBondContact O-N 2.54Å; R179-Y280 HydrophobicContact CB-CE1 4.17Å; R179-Y280 HydrophobicContact CB-CE2 4.03Å; R179-Y280 HydrophobicContact CG-CE1 4.25Å; R179-Y280 WeakPolarHBondContact CG-OH 3.34Å; Y280-D282 PolarHBondContact O-N 2.91Å |
| 281 | N | 60.5 | Low | 63 | Low | 15 Ų | 15 | 68.3 Ų | 68.3 | 8% | 0.08 | 38% | 0.377 | C | S | . | . | trans | -77.7 | 99.1 | -178.9 | -67.9 | 32.9 | 0 | 0 | 0 | 110.6 | T279 L283 D288 L291 L292 | T279-N281 VanDerWaalsContact C-N 3.32Å; T279-N281 PolarHBondContact O-N 3.33Å; N281-L283 PolarHBondContact O-N 3.33Å; N281-D288 HydrophobicContact CB-CB 4.49Å; N281-D288 WeakPolarHBondContact ND2-CB 3.43Å; N281-D288 PolarHBondContact ND2-O 3.28Å; N281-L291 VanDerWaalsContact ND2-CB 3.35Å; N281-L291 WeakPolarHBondContact ND2-CB 3.48Å; N281-L292 HydrophobicContact CB-CD1 3.91Å; N281-L292 HydrophobicContact CB-CG 4.03Å; N281-L292 VanDerWaalsContact O-CD1 3.3Å; N281-L292 WeakPolarHBondContact O-CD1 3.42Å | ||
| 282 | D | 46.5 | Very low | 61 | Low | 101 Ų | 101 | 67.7 Ų | 67.7 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | trans | -61.8 | 115.7 | 170.2 | -150.4 | -25.6 | 0 | 0 | 0 | 108.7 | Y280 S284 | Y280-D282 PolarHBondContact O-N 2.91Å; D282-S284 PolarHBondContact O-N 3.03Å; D282-S284 PolarHBondContact OD1-OG 2.64Å | ||
| 283 | L | 42.5 | Very low | 59.2 | Low | 123 Ų | 123 | 71.9 Ų | 71.9 | 64% | 0.644 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -0.6 | -172 | -150.2 | 77.4 | 0 | 0 | 0 | 113.6 | N281 L292 | N281-L283 PolarHBondContact O-N 3.33Å; L283-L292 HydrophobicContact CD1-CB 4.33Å; L283-L292 HydrophobicContact CD1-CD1 3.82Å |
| 284 | S | 34 | Very low | 57.4 | Low | 81 Ų | 81 | 64.9 Ų | 64.9 | 57% | 0.566 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -13.2 | -167.4 | 61.7 | 0 | 0 | 0 | 0 | 115.3 | D282 | D282-S284 PolarHBondContact O-N 3.03Å; D282-S284 PolarHBondContact OD1-OG 2.64Å |
| 285 | K | 36.1 | Very low | 55.6 | Low | 148 Ų | 148 | 62 Ų | 62 | 64% | 0.643 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -139.1 | 121.4 | -170.9 | -67.5 | 174.1 | -172.4 | 165.3 | 0 | 113.8 | ||
| 286 | S | 38.3 | Very low | 54 | Low | 99 Ų | 99 | 62.1 Ų | 62.1 | 69% | 0.692 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 34.7 | 117.2 | 157.1 | 56.6 | 0 | 0 | 0 | 0 | 119.7 | D288 | S286-D288 PolarHBondContact O-N 3.21Š|
| 287 | V | 39.8 | Very low | 52 | Low | 120 Ų | 120 | 64 Ų | 64 | 73% | 0.727 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 66.1 | -52.2 | 167.2 | -170.9 | 0 | 0 | 0 | 0 | 115.2 | S289 F290 | V287-S289 PolarHBondContact O-N 2.95Å; V287-F290 WeakPolarHBondContact O-CB 3.45Å; V287-F290 PolarHBondContact O-N 3.05Å |
| 288 | D | 41.9 | Very low | 49.7 | Very low | 43 Ų | 43 | 66.2 Ų | 66.2 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -13.1 | -176 | -78.3 | -43 | 0 | 0 | 0 | 114.5 | C163 N281 S286 F290 L291 L292 | C163-D288 PolarHBondContact SG-OD1 3.41Å; N281-D288 HydrophobicContact CB-CB 4.49Å; N281-D288 WeakPolarHBondContact ND2-CB 3.43Å; N281-D288 PolarHBondContact ND2-O 3.28Å; S286-D288 PolarHBondContact O-N 3.21Å; D288-F290 PolarHBondContact O-N 3.09Å; D288-L291 PolarHBondContact O-N 3.45Å; D288-L291 VanDerWaalsContact O-N 3.14Å; D288-L292 PolarHBondContact O-N 3.48Å |
| 289 | S | 41.4 | Very low | 47.4 | Very low | 45 Ų | 45 | 70.1 Ų | 70.1 | 32% | 0.315 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.8 | -27.9 | 166.2 | -176 | 0 | 0 | 0 | 0 | 113 | V287 L291 K293 | V287-S289 PolarHBondContact O-N 2.95Å; S289-L291 VanDerWaalsContact C-N 3.35Å; S289-K293 PolarHBondContact O-N 3.34Å |
| 290 | F | 39.8 | Very low | 45.8 | Very low | 141 Ų | 141 | 72.7 Ų | 72.7 | 62% | 0.618 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.2 | -33.3 | 173.4 | -85.5 | -83.4 | 0 | 0 | 0 | 112.7 | V287 D288 K293 S294 | V287-F290 WeakPolarHBondContact O-CB 3.45Å; V287-F290 PolarHBondContact O-N 3.05Å; D288-F290 PolarHBondContact O-N 3.09Å; F290-K293 CarbonylContact O-C 3.55Å; F290-K293 PolarHBondContact O-N 3.5Å; F290-S294 PolarHBondContact O-N 2.92Å |
| 291 | L | 42.9 | Very low | 44.9 | Very low | 33 Ų | 33 | 74.4 Ų | 74.4 | 17% | 0.173 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.3 | -43.3 | 177.7 | -80.2 | 172 | 0 | 0 | 0 | 111.6 | N281 D288 S289 K293 S294 I295 | N281-L291 VanDerWaalsContact ND2-CB 3.35Å; N281-L291 WeakPolarHBondContact ND2-CB 3.48Å; D288-L291 PolarHBondContact O-N 3.45Å; D288-L291 VanDerWaalsContact O-N 3.14Å; S289-L291 VanDerWaalsContact C-N 3.35Å; L291-K293 VanDerWaalsContact C-N 3.26Å; L291-K293 PolarHBondContact O-N 2.65Å; L291-S294 PolarHBondContact O-N 3.4Å; L291-S294 PolarHBondContact O-OG 2.9Å; L291-S294 VanDerWaalsContact O-OG 3.06Å; L291-I295 VanDerWaalsContact O-CB 3.31Å; L291-I295 WeakPolarHBondContact O-CB 3.46Å; L291-I295 WeakPolarHBondContact O-CD1 3.44Å; L291-I295 WeakPolarHBondContact O-CG1 3.13Å; L291-I295 PolarHBondContact O-N 2.85Å |
| 292 | L | 47 | Very low | 45 | Very low | 14 Ų | 14 | 79.6 Ų | 79.6 | 7% | 0.073 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.8 | -32.4 | 174.3 | -99.6 | 176.1 | 0 | 0 | 0 | 112.4 | P242 N281 L283 D288 F296 | P242-L292 HydrophobicContact CB-CD2 4.28Å; P242-L292 HydrophobicContact CG-CD2 4.5Å; N281-L292 HydrophobicContact CB-CD1 3.91Å; N281-L292 HydrophobicContact CB-CG 4.03Å; N281-L292 VanDerWaalsContact O-CD1 3.3Å; N281-L292 WeakPolarHBondContact O-CD1 3.42Å; L283-L292 HydrophobicContact CD1-CB 4.33Å; L283-L292 HydrophobicContact CD1-CD1 3.82Å; D288-L292 PolarHBondContact O-N 3.48Å; L292-F296 HydrophobicContact CD2-CD2 3.59Å; L292-F296 HydrophobicContact CD2-CE2 3.58Å; L292-F296 PolarHBondContact O-N 2.77Å |
| 293 | K | 47.4 | Very low | 46.5 | Very low | 123 Ų | 123 | 76 Ų | 76 | 54% | 0.535 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.6 | -42.7 | 169.7 | -78.6 | -172.7 | 171.8 | -177.1 | 0 | 112.8 | S289 F290 L291 I295 S297 | S289-K293 PolarHBondContact O-N 3.34Å; F290-K293 CarbonylContact O-C 3.55Å; F290-K293 PolarHBondContact O-N 3.5Å; L291-K293 VanDerWaalsContact C-N 3.26Å; L291-K293 PolarHBondContact O-N 2.65Å; K293-I295 PolarHBondContact O-N 2.96Å; K293-S297 VanDerWaalsContact O-CA 3.3Å; K293-S297 WeakPolarHBondContact O-CA 3.38Å; K293-S297 WeakPolarHBondContact O-CB 3.5Å; K293-S297 PolarHBondContact O-N 2.87Å; K293-S297 PolarHBondContact O-OG 2.79Å |
| 294 | S | 48 | Very low | 48.4 | Very low | 34 Ų | 34 | 70.8 Ų | 70.8 | 24% | 0.238 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 177.3 | 68 | 0 | 0 | 0 | 0 | 111.7 | Q30 F290 L291 V298 | Q30-S294 PolarHBondContact NE2-O 3.25Å; Q30-S294 VanDerWaalsContact NE2-O 3.16Å; F290-S294 PolarHBondContact O-N 2.92Å; L291-S294 PolarHBondContact O-N 3.4Å; L291-S294 PolarHBondContact O-OG 2.9Å; L291-S294 VanDerWaalsContact O-OG 3.06Å; S294-V298 WeakPolarHBondContact O-CB 3.45Å; S294-V298 VanDerWaalsContact O-CG2 3.32Å; S294-V298 WeakPolarHBondContact O-CG2 3.25Å |
| 295 | I | 50.6 | Low | 51 | Low | 9 Ų | 9 | 69.4 Ų | 69.4 | 5% | 0.046 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64 | -48.6 | -178.9 | -66.9 | 164.5 | 0 | 0 | 0 | 111.3 | Q30 T174 Y235 L236 L291 K293 | Q30-I295 PolarHBondContact NE2-O 3.04Å; T174-I295 HydrophobicContact CG2-CD1 3.59Å; T174-I295 HydrophobicContact CG2-CG1 3.88Å; Y235-I295 HydrophobicContact CE2-CG2 3.96Å; L236-I295 HydrophobicContact CD2-CG2 3.84Å; L291-I295 VanDerWaalsContact O-CB 3.31Å; L291-I295 WeakPolarHBondContact O-CB 3.46Å; L291-I295 WeakPolarHBondContact O-CD1 3.44Å; L291-I295 WeakPolarHBondContact O-CG1 3.13Å; L291-I295 PolarHBondContact O-N 2.85Å; K293-I295 PolarHBondContact O-N 2.96Å |
| 296 | F | 55.4 | Low | 53.6 | Low | 18 Ų | 18 | 63.3 Ų | 63.3 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -103.4 | -28.7 | -174.9 | -69.9 | -82.8 | 0 | 0 | 0 | 115.3 | F184 L240 P242 L292 N300 | F184-F296 HydrophobicContact CE1-CZ 4.2Å; L240-F296 WeakPolarHBondContact O-CE1 3.47Å; P242-F296 HydrophobicContact CG-CD2 4.29Å; L292-F296 HydrophobicContact CD2-CD2 3.59Å; L292-F296 HydrophobicContact CD2-CE2 3.58Å; L292-F296 PolarHBondContact O-N 2.77Å; F296-N300 WeakPolarHBondContact O-CB 3.49Å; F296-N300 PolarHBondContact O-N 2.98Å |
| 297 | S | 47.6 | Very low | 56.1 | Low | 81 Ų | 81 | 64.6 Ų | 64.6 | 57% | 0.566 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -83.8 | -14.9 | -176.6 | -46.4 | 0 | 0 | 0 | 0 | 114.6 | K293 | K293-S297 VanDerWaalsContact O-CA 3.3Å; K293-S297 WeakPolarHBondContact O-CA 3.38Å; K293-S297 WeakPolarHBondContact O-CB 3.5Å; K293-S297 PolarHBondContact O-N 2.87Å; K293-S297 PolarHBondContact O-OG 2.79Å |
| 298 | V | 40.8 | Very low | 58.7 | Low | 93 Ų | 93 | 59.2 Ų | 59.2 | 56% | 0.564 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -29.8 | 177.3 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | S294 | S294-V298 WeakPolarHBondContact O-CB 3.45Å; S294-V298 VanDerWaalsContact O-CG2 3.32Å; S294-V298 WeakPolarHBondContact O-CG2 3.25Å |
| 299 | H | 43.7 | Very low | 61.1 | Low | 83 Ų | 83 | 63.2 Ų | 63.2 | 38% | 0.384 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -0.9 | -177.7 | -81.7 | 99.3 | 0 | 0 | 0 | 115.8 | Q30 N301 | Q30-H299 PolarHBondContact OE1-ND1 2.88Å; H299-N301 PolarHBondContact O-N 3.44Å |
| 300 | N | 47.6 | Very low | 63.6 | Low | 57 Ų | 57 | 64.1 Ų | 64.1 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | trans | -69.8 | 64.9 | 150.1 | -83.3 | -16.5 | 0 | 0 | 0 | 110 | F296 I302 | F296-N300 WeakPolarHBondContact O-CB 3.49Å; F296-N300 PolarHBondContact O-N 2.98Å; N300-I302 PolarHBondContact O-N 2.78Å | ||
| 301 | N | 50.8 | Low | 66.1 | Low | 101 Ų | 101 | 58.8 Ų | 58.8 | 54% | 0.54 | 31% | 0.313 | S | S | . | . | trans | -52.8 | 106.3 | 159.3 | -95.9 | -54.3 | 0 | 0 | 0 | 106.8 | H299 Q303 | H299-N301 PolarHBondContact O-N 3.44Å; N301-Q303 PolarHBondContact O-N 3.04Å | ||
| 302 | I | 62.3 | Low | 68.5 | Low | 125 Ų | 125 | 59 Ų | 59 | 64% | 0.641 | 31% | 0.312 | S | S | * | . | trans | -57.9 | 109 | 177.1 | -61.2 | 173.8 | 0 | 0 | 0 | 106.2 | N300 | N300-I302 PolarHBondContact O-N 2.78Š| ||
| 303 | Q | 77.7 | Confident | 70.8 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 138.9 | -169.9 | -60.4 | -61.6 | -14.3 | 0 | 0 | 109.3 | N301 L305 N337 Y338 Y375 | N301-Q303 PolarHBondContact O-N 3.04Å; Q303-L305 PolarHBondContact O-N 2.72Å; Q303-N337 HydrophobicContact CB-CB 4.48Å; Q303-N337 PolarHBondContact O-ND2 2.86Å; Q303-Y338 HydrophobicContact CB-CE1 4.41Å; Q303-Y338 HydrophobicContact CG-CE1 3.79Å; Q303-Y375 HydrophobicContact CB-CD2 4.2Å; Q303-Y375 HydrophobicContact CB-CG 4.23Å; Q303-Y375 HydrophobicContact CG-CD2 4.18Å; Q303-Y375 HydrophobicContact CG-CG 4.11Å |
| 304 | P | 82.4 | Confident | 73.1 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -48.4 | 132.3 | -175 | -29.6 | 34.4 | 0 | 0 | 0 | 112.4 | A376 | P304-A376 HydrophobicContact CB-CB 4.19Å; P304-A376 WeakPolarHBondContact CD-O 2.95Å; P304-A376 WeakPolarHBondContact CG-O 3.34Å |
| 305 | L | 88.6 | Confident | 75.2 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | B | Isolated β-bridge | trans | -60.7 | 139.1 | 176.7 | -60.1 | 168.9 | 0 | 0 | 0 | 108.9 | Q303 S336 G488 I489 A491 | Q303-L305 PolarHBondContact O-N 2.72Å; L305-S336 CarbonylContact C-O 3.57Å; L305-S336 VanDerWaalsContact CA-O 3.31Å; L305-S336 WeakPolarHBondContact CA-O 3.44Å; L305-G488 CarbonylContact O-C 3.58Å; L305-G488 WeakPolarHBondContact O-CA 3.3Å; L305-I489 HydrophobicContact CB-CB 4.39Å; L305-I489 WeakPolarHBondContact CB-O 3.48Å; L305-I489 PolarHBondContact N-O 2.78Å; L305-I489 PolarHBondContact O-N 2.69Å; L305-A491 HydrophobicContact CD1-CB 4.38Å |
| 306 | H | 92 | Very high | 77.3 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | trans | -130.8 | 162.1 | -171.3 | 77.1 | 67.2 | 0 | 0 | 0 | 113.5 | F308 N335 S336 N337 Y338 F339 A376 | H306-F308 HydrophobicContact CB-CD2 3.92Å; H306-F308 PolarHBondContact ND1-N 3.17Å; H306-N335 PolarHBondContact CE1-O 2.86Å; H306-N335 PolarHBondContact NE2-O 2.89Å; H306-S336 VanDerWaalsContact CD2-C 3.47Å; H306-S336 PolarHBondContact CD2-O 3.43Å; H306-S336 PolarHBondContact N-O 2.89Å; H306-N337 PolarHBondContact NE2-N 2.83Å; H306-Y338 PolarHBondContact NE2-N 2.86Å; H306-F339 AromaticContact CD2-CD1 3.78Å; H306-F339 AromaticContact CE1-CD1 3.88Å; H306-F339 AromaticContact NE2-CD1 3.67Å; H306-A376 HydrophobicContact CB-CB 3.73Å | ||
| 307 | E | 91.3 | Very high | 79.1 | Confident | 126 Ų | 126 | 50.8 Ų | 50.8 | 59% | 0.589 | 27% | 0.271 | S | S | * | . | trans | -119.9 | 19.1 | 179.3 | -58.4 | -177.6 | 168 | 0 | 0 | 112.1 | W312 V485 | E307-W312 WeakPolarHBondContact O-CH2 3.44Å; E307-W312 WeakPolarHBondContact O-CZ3 3.39Å; E307-V485 HydrophobicContact CB-CG1 4.11Å | ||
| 308 | F | 92.8 | Very high | 81.2 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | -62.9 | 142.4 | 178.7 | -77.3 | -82.2 | 0 | 0 | 0 | 111.1 | H306 W312 L314 V330 V333 F339 A376 I381 C480 V485 F486 | H306-F308 HydrophobicContact CB-CD2 3.92Å; H306-F308 PolarHBondContact ND1-N 3.17Å; F308-W312 AromaticContact CD1-CE3 3.96Å; F308-W312 HydrophobicContact CD1-CE3 3.96Å; F308-W312 HydrophobicContact CD1-CZ3 4.41Å; F308-L314 HydrophobicContact CE1-CD2 4.14Å; F308-V330 HydrophobicContact CD1-CG2 4.16Å; F308-V333 WeakPolarHBondContact O-CG2 3.45Å; F308-F339 HydrophobicContact CB-CD1 4.18Å; F308-F339 HydrophobicContact CB-CD2 4.39Å; F308-F339 HydrophobicContact CB-CE1 4.26Å; F308-F339 HydrophobicContact CB-CE2 4.45Å; F308-F339 HydrophobicContact CB-CG 4.25Å; F308-F339 HydrophobicContact CB-CZ 4.38Å; F308-F339 HydrophobicContact CD1-CE2 4.19Å; F308-F339 HydrophobicContact CD1-CZ 4.15Å; F308-F339 AromaticContact CD2-CD1 3.99Å; F308-F339 HydrophobicContact CD2-CD1 3.99Å; F308-F339 AromaticContact CD2-CE1 3.26Å; F308-F339 HydrophobicContact CD2-CE1 3.26Å; F308-F339 HydrophobicContact CD2-CE2 4.08Å; F308-F339 AromaticContact CD2-CZ 3.3Å; F308-F339 HydrophobicContact CD2-CZ 3.3Å; F308-F339 HydrophobicContact CE1-CE2 4.5Å; F308-F339 HydrophobicContact CE1-CZ 4.27Å; F308-F339 AromaticContact CE2-CE1 3.72Å; F308-F339 HydrophobicContact CE2-CE1 3.72Å; F308-F339 HydrophobicContact CE2-CE2 4.39Å; F308-F339 AromaticContact CE2-CZ 3.45Å; F308-F339 HydrophobicContact CE2-CZ 3.45Å; F308-F339 VanDerWaalsContact CE2-CZ 3.45Å; F308-F339 HydrophobicContact CG-CD1 4.29Å; F308-F339 HydrophobicContact CG-CD2 4.42Å; F308-F339 AromaticContact CG-CE1 3.88Å; F308-F339 HydrophobicContact CG-CE1 3.88Å; F308-F339 AromaticContact CG-CE2 3.99Å; F308-F339 HydrophobicContact CG-CE2 3.99Å; F308-F339 AromaticContact CG-CZ 3.7Å; F308-F339 HydrophobicContact CG-CZ 3.7Å; F308-F339 AromaticContact CZ-CZ 3.95Å; F308-F339 HydrophobicContact CZ-CZ 3.95Å; F308-A376 HydrophobicContact CE2-CB 4.39Å; F308-I381 HydrophobicContact CZ-CD1 4.25Å; F308-C480 HydrophobicContact CE1-CB 4.28Å; F308-V485 HydrophobicContact CD1-CG1 4.45Å; F308-V485 HydrophobicContact CD2-CG1 3.81Å; F308-V485 HydrophobicContact CE1-CG1 4.43Å; F308-V485 HydrophobicContact CE2-CG1 3.79Å; F308-V485 WeakPolarHBondContact CE2-O 3.49Å; F308-V485 HydrophobicContact CG-CG1 4.14Å; F308-V485 HydrophobicContact CZ-CG1 4.11Å; F308-F486 HydrophobicContact CE1-CD1 4.42Å; F308-F486 HydrophobicContact CE1-CE1 4.07Å; F308-F486 HydrophobicContact CE1-CE2 4.23Å; F308-F486 AromaticContact CE1-CZ 3.97Å; F308-F486 HydrophobicContact CE1-CZ 3.97Å; F308-F486 AromaticContact CZ-CD1 3.82Å; F308-F486 HydrophobicContact CZ-CD1 3.82Å; F308-F486 HydrophobicContact CZ-CD2 4.18Å; F308-F486 AromaticContact CZ-CE1 3.92Å; F308-F486 HydrophobicContact CZ-CE1 3.92Å; F308-F486 HydrophobicContact CZ-CE2 4.3Å; F308-F486 AromaticContact CZ-CG 3.95Å; F308-F486 HydrophobicContact CZ-CG 3.95Å; F308-F486 HydrophobicContact CZ-CZ 4.16Å | ||
| 309 | K | 92.9 | Very high | 83.5 | Confident | 127 Ų | 127 | 45.7 Ų | 45.7 | 55% | 0.552 | 24% | 0.238 | S | C | * | . | trans | -122.8 | 150.5 | -178.6 | -55.1 | -173.5 | -176.3 | -178.9 | 0 | 111.1 | W312 V330 | K309-W312 HydrophobicContact CB-CD2 4.01Å; K309-W312 HydrophobicContact CB-CG 4.28Å; K309-W312 HydrophobicContact CB-CZ2 4.19Å; K309-W312 HydrophobicContact CD-CH2 4.32Å; K309-W312 HydrophobicContact CD-CZ2 3.74Å; K309-W312 HydrophobicContact CG-CD2 4.44Å; K309-W312 HydrophobicContact CG-CH2 4.11Å; K309-W312 HydrophobicContact CG-CZ2 3.83Å; K309-W312 WeakPolarHBondContact O-CB 3.15Å; K309-W312 PolarHBondContact O-N 2.86Å; K309-V330 WeakPolarHBondContact O-CB 3.49Å; K309-V330 WeakPolarHBondContact O-CG1 3.23Å | ||
| 310 | V | 94.6 | Very high | 85.5 | Confident | 63 Ų | 63 | 46.7 Ų | 46.7 | 38% | 0.382 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 142.4 | 174.8 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | W312 V330 V333 | V310-W312 VanDerWaalsContact C-N 3.29Å; V310-W312 PolarHBondContact O-N 2.94Å; V310-V330 CarbonylContact C-O 3.5Å; V310-V330 WeakPolarHBondContact CA-O 3.49Å; V310-V333 HydrophobicContact CG2-CG2 4.04Å |
| 311 | G | 91.9 | Very high | 87.4 | Confident | 30 Ų | 30 | 49 Ų | 49 | 31% | 0.309 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -18.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K313 V330 P478 | G311-K313 PolarHBondContact O-N 2.9Å; G311-V330 PolarHBondContact N-O 2.87Å; G311-P478 WeakPolarHBondContact O-CB 3.26Å |
| 312 | W | 93.8 | Very high | 89.2 | Confident | 38 Ų | 38 | 44.7 Ų | 44.7 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | trans | -64 | 131.4 | -179.6 | -77.7 | 4.7 | 0 | 0 | 0 | 112.4 | E307 F308 K309 V310 T329 V330 P478 C480 P481 V485 | E307-W312 WeakPolarHBondContact O-CH2 3.44Å; E307-W312 WeakPolarHBondContact O-CZ3 3.39Å; F308-W312 AromaticContact CD1-CE3 3.96Å; F308-W312 HydrophobicContact CD1-CE3 3.96Å; F308-W312 HydrophobicContact CD1-CZ3 4.41Å; K309-W312 HydrophobicContact CB-CD2 4.01Å; K309-W312 HydrophobicContact CB-CG 4.28Å; K309-W312 HydrophobicContact CB-CZ2 4.19Å; K309-W312 HydrophobicContact CD-CH2 4.32Å; K309-W312 HydrophobicContact CD-CZ2 3.74Å; K309-W312 HydrophobicContact CG-CD2 4.44Å; K309-W312 HydrophobicContact CG-CH2 4.11Å; K309-W312 HydrophobicContact CG-CZ2 3.83Å; K309-W312 WeakPolarHBondContact O-CB 3.15Å; K309-W312 PolarHBondContact O-N 2.86Å; V310-W312 VanDerWaalsContact C-N 3.29Å; V310-W312 PolarHBondContact O-N 2.94Å; W312-T329 WeakPolarHBondContact O-CA 3.32Å; W312-V330 HydrophobicContact CB-CG2 4.42Å; W312-V330 PolarHBondContact O-N 2.93Å; W312-P478 CarbonylContact C-O 3.6Å; W312-P478 WeakPolarHBondContact CA-O 3.41Å; W312-C480 HydrophobicContact CD2-CB 4.33Å; W312-C480 HydrophobicContact CE3-CB 3.76Å; W312-C480 HydrophobicContact CZ3-CB 4.33Å; W312-P481 VanDerWaalsContact CH2-CD 3.49Å; W312-P481 HydrophobicContact CH2-CG 4.06Å; W312-P481 HydrophobicContact CZ2-CG 4.11Å; W312-V485 HydrophobicContact CZ3-CG1 4.37Å | ||
| 313 | K | 94.3 | Very high | 90.3 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 143.8 | 175.6 | -67.1 | -166.9 | 175.8 | -68.5 | 0 | 112.4 | G311 A328 T329 D344 W408 Y411 L412 L415 P478 C480 | G311-K313 PolarHBondContact O-N 2.9Å; K313-A328 VanDerWaalsContact CA-O 3.3Å; K313-A328 WeakPolarHBondContact CA-O 3.39Å; K313-T329 PolarHBondContact NZ-OG1 3.45Å; K313-D344 VanDerWaalsContact NZ-CG 3.31Å; K313-D344 IonicContact NZ-OD1 3.13Å; K313-D344 PolarHBondContact NZ-OD1 2.72Å; K313-D344 IonicContact NZ-OD2 2.76Å; K313-D344 PolarHBondContact NZ-OD2 2.89Å; K313-W408 HydrophobicContact CB-CH2 4.08Å; K313-W408 HydrophobicContact CB-CZ3 3.91Å; K313-W408 HydrophobicContact CD-CZ3 4.05Å; K313-Y411 HydrophobicContact CD-CE1 4.25Å; K313-L412 HydrophobicContact CD-CD2 4.08Å; K313-L415 HydrophobicContact CD-CD1 4.31Å; K313-L415 VanDerWaalsContact CE-CD1 3.44Å; K313-P478 PolarHBondContact N-O 2.8Å; K313-C480 PolarHBondContact O-N 3.25Å |
| 314 | L | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 178.6 | -178 | 58.8 | 84.3 | 0 | 0 | 0 | 109.7 | F308 A316 A328 V330 F339 V341 I381 W408 F486 | F308-L314 HydrophobicContact CE1-CD2 4.14Å; L314-A316 HydrophobicContact CD1-CB 4.05Å; L314-A328 HydrophobicContact CD1-CB 3.94Å; L314-A328 PolarHBondContact N-O 2.86Å; L314-A328 PolarHBondContact O-N 3.11Å; L314-V330 HydrophobicContact CD2-CG2 3.8Å; L314-F339 HydrophobicContact CD2-CE2 4.4Å; L314-V341 HydrophobicContact CD1-CG1 4.09Å; L314-V341 HydrophobicContact CD2-CG2 4.34Å; L314-I381 HydrophobicContact CD1-CB 4.28Å; L314-I381 HydrophobicContact CD1-CG2 4.08Å; L314-W408 WeakPolarHBondContact O-CH2 3.42Å; L314-F486 HydrophobicContact CB-CE1 4.01Å; L314-F486 HydrophobicContact CB-CZ 3.77Å; L314-F486 HydrophobicContact CD2-CE1 4.36Å |
| 315 | E | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 136.9 | 171 | -77.3 | -179.1 | -179.6 | 0 | 0 | 110.1 | V325 I381 M382 N385 E386 S387 L394 W408 | E315-V325 HydrophobicContact CB-CG1 3.69Å; E315-V325 HydrophobicContact CG-CG1 4.21Å; E315-I381 CarbonylContact O-C 3.6Å; E315-I381 WeakPolarHBondContact O-CA 3.39Å; E315-M382 HydrophobicContact CB-CG 3.49Å; E315-M382 VanDerWaalsContact CB-CG 3.49Å; E315-M382 PolarHBondContact N-O 3.37Å; E315-M382 PolarHBondContact O-N 2.9Å; E315-N385 WeakPolarHBondContact OE1-CA 3.29Å; E315-N385 PolarHBondContact OE1-N 3.41Å; E315-E386 PolarHBondContact OE2-N 2.81Å; E315-S387 PolarHBondContact OE1-OG 2.92Å; E315-S387 WeakPolarHBondContact OE2-CA 3.48Å; E315-S387 WeakPolarHBondContact OE2-CB 3.4Å; E315-S387 PolarHBondContact OE2-N 2.8Å; E315-S387 PolarHBondContact OE2-OG 2.96Å; E315-L394 HydrophobicContact CG-CD1 4.14Å; E315-L394 WeakPolarHBondContact OE1-CD2 3.4Å; E315-W408 HydrophobicContact CG-CZ2 3.62Å; E315-W408 PolarHBondContact OE1-NE1 3.36Å |
| 316 | A | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 140.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L314 V325 Q326 A328 V341 L343 F372 E380 I381 | L314-A316 HydrophobicContact CD1-CB 4.05Å; A316-V325 CarbonylContact O-C 3.58Å; A316-V325 VanDerWaalsContact O-CA 3.29Å; A316-V325 WeakPolarHBondContact O-CA 3.17Å; A316-V325 WeakPolarHBondContact O-CG1 3.33Å; A316-Q326 PolarHBondContact N-O 2.89Å; A316-Q326 PolarHBondContact O-N 3.48Å; A316-A328 HydrophobicContact CB-CB 3.73Å; A316-V341 HydrophobicContact CB-CG1 4.3Å; A316-L343 HydrophobicContact CB-CD2 3.67Å; A316-F372 HydrophobicContact CB-CE1 3.97Å; A316-F372 HydrophobicContact CB-CZ 3.81Å; A316-E380 WeakPolarHBondContact CA-O 3.26Å; A316-I381 HydrophobicContact CB-CG2 4.5Å |
| 317 | V | 93 | Very high | 91.3 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 132.9 | 165.5 | 177 | 0 | 0 | 0 | 0 | 108.8 | P319 P322 V325 E380 M382 L608 | V317-P319 WeakPolarHBondContact O-CD 3.29Å; V317-P322 HydrophobicContact CG1-CB 4.05Å; V317-V325 HydrophobicContact CG2-CG2 3.94Å; V317-E380 HydrophobicContact CB-CB 4.08Å; V317-E380 HydrophobicContact CB-CG 4.26Å; V317-E380 HydrophobicContact CG2-CB 4.18Å; V317-E380 HydrophobicContact CG2-CG 4.39Å; V317-E380 PolarHBondContact N-O 3.47Å; V317-M382 HydrophobicContact CG2-CE 4.14Å; V317-L608 HydrophobicContact CG1-CB 3.87Å; V317-L608 HydrophobicContact CG1-CD1 4.13Å; V317-L608 HydrophobicContact CG2-CB 4.01Å; V317-L608 HydrophobicContact CG2-CD1 3.74Å; V317-L608 HydrophobicContact CG2-CG 4.47Å |
| 318 | N | 91.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | trans | -75.3 | 116.2 | 177.5 | -177.4 | -45.6 | 0 | 0 | 0 | 110 | L320 R321 P322 F324 Q326 L343 | N318-L320 PolarHBondContact O-N 3.5Å; N318-L320 WeakPolarHBondContact OD1-CA 3.43Å; N318-L320 WeakPolarHBondContact OD1-CB 3.33Å; N318-L320 PolarHBondContact OD1-N 3.16Å; N318-R321 HydrophobicContact CB-CB 4.29Å; N318-R321 CarbonylContact O-C 3.4Å; N318-R321 PolarHBondContact O-N 2.76Å; N318-R321 PolarHBondContact OD1-N 2.81Å; N318-P322 VanDerWaalsContact O-CA 3.29Å; N318-P322 WeakPolarHBondContact O-CA 3.39Å; N318-P322 VanDerWaalsContact O-N 3.09Å; N318-F324 HydrophobicContact CB-CD2 4.02Å; N318-F324 HydrophobicContact CB-CE2 3.55Å; N318-F324 HydrophobicContact CB-CZ 4.35Å; N318-F324 PolarHBondContact N-O 2.93Å; N318-Q326 PolarHBondContact ND2-OE1 3.39Å; N318-L343 HydrophobicContact CB-CD1 3.78Å; N318-L343 VanDerWaalsContact CG-CD1 3.5Å; N318-L343 VanDerWaalsContact ND2-CD1 3.27Å; N318-L343 WeakPolarHBondContact ND2-CD1 3.36Å | ||
| 319 | P | 89.4 | Confident | 91.7 | Very high | 64 Ų | 64 | 30.5 Ų | 30.5 | 42% | 0.416 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -19.7 | -173.8 | 28.5 | -35.7 | 0 | 0 | 0 | 113.4 | V317 I370 F372 | V317-P319 WeakPolarHBondContact O-CD 3.29Å; P319-I370 HydrophobicContact CG-CG2 3.8Å; P319-F372 HydrophobicContact CG-CD1 4.2Å |
| 320 | L | 85.7 | Confident | 91.8 | Very high | 103 Ų | 103 | 24.4 Ų | 24.4 | 54% | 0.539 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -22 | 173.1 | -55.2 | -177.4 | 0 | 0 | 0 | 112.2 | N318 I370 S553 | N318-L320 PolarHBondContact O-N 3.5Å; N318-L320 WeakPolarHBondContact OD1-CA 3.43Å; N318-L320 WeakPolarHBondContact OD1-CB 3.33Å; N318-L320 PolarHBondContact OD1-N 3.16Å; L320-I370 HydrophobicContact CD1-CD1 3.96Å; L320-I370 HydrophobicContact CD1-CG1 4.02Å; L320-I370 HydrophobicContact CD1-CG2 4.4Å; L320-I370 HydrophobicContact CG-CG2 4.34Å; L320-S553 WeakPolarHBondContact O-CB 3.39Å; L320-S553 PolarHBondContact O-OG 3.3Å; L320-S553 VanDerWaalsContact O-OG 3.08Å |
| 321 | R | 86.3 | Confident | 91.9 | Very high | 105 Ų | 105 | 23.6 Ų | 23.6 | 40% | 0.396 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -139.5 | 66.9 | -175.6 | -67.1 | 178.4 | 176.5 | 171.1 | -1.4 | 110.4 | N318 Y323 F324 | N318-R321 HydrophobicContact CB-CB 4.29Å; N318-R321 CarbonylContact O-C 3.4Å; N318-R321 PolarHBondContact O-N 2.76Å; N318-R321 PolarHBondContact OD1-N 2.81Å; R321-Y323 HydrophobicContact CB-CE1 3.88Å; R321-Y323 HydrophobicContact CB-CE2 4.4Å; R321-Y323 HydrophobicContact CG-CE1 4.33Å; R321-Y323 PolarHBondContact O-N 3.33Å; R321-F324 HydrophobicContact CB-CE1 3.79Å; R321-F324 HydrophobicContact CB-CE2 4.27Å; R321-F324 HydrophobicContact CB-CZ 3.63Å; R321-F324 HydrophobicContact CG-CE1 4.43Å; R321-F324 HydrophobicContact CG-CZ 4.26Å; R321-F324 PolarHBondContact O-N 2.65Å |
| 322 | P | 89.1 | Confident | 92.1 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 8% | 0.078 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 19.2 | -166.2 | 28.4 | -36.4 | 0 | 0 | 0 | 115.5 | V317 N318 P551 I607 L608 | V317-P322 HydrophobicContact CG1-CB 4.05Å; N318-P322 VanDerWaalsContact O-CA 3.29Å; N318-P322 WeakPolarHBondContact O-CA 3.39Å; N318-P322 VanDerWaalsContact O-N 3.09Å; P322-P551 HydrophobicContact CG-CB 4.03Å; P322-P551 HydrophobicContact CG-CG 3.73Å; P322-I607 HydrophobicContact CB-CB 4.34Å; P322-I607 HydrophobicContact CG-CB 4.05Å; P322-I607 HydrophobicContact CG-CG2 3.99Å; P322-I607 CarbonylContact O-C 3.59Å; P322-I607 WeakPolarHBondContact O-CA 3.3Å; P322-L608 VanDerWaalsContact O-CB 3.24Å; P322-L608 WeakPolarHBondContact O-CB 3.37Å; P322-L608 VanDerWaalsContact O-CG 3.32Å; P322-L608 WeakPolarHBondContact O-CG 3.44Å; P322-L608 PolarHBondContact O-N 2.82Å |
| 323 | Y | 84.4 | Confident | 92.2 | Very high | 13 Ų | 13 | 27 Ų | 27 | 5% | 0.051 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 0.2 | 176.3 | 46.6 | -93.5 | 0 | 0 | 0 | 113.3 | R321 Y602 R605 P606 | R321-Y323 HydrophobicContact CB-CE1 3.88Å; R321-Y323 HydrophobicContact CB-CE2 4.4Å; R321-Y323 HydrophobicContact CG-CE1 4.33Å; R321-Y323 PolarHBondContact O-N 3.33Å; Y323-Y602 HydrophobicContact CE1-CD1 4.3Å; Y323-Y602 HydrophobicContact CE1-CG 4.43Å; Y323-Y602 AromaticContact CE2-CD1 3.91Å; Y323-Y602 HydrophobicContact CE2-CD1 3.91Å; Y323-Y602 HydrophobicContact CE2-CE1 4.05Å; Y323-Y602 AromaticContact CZ-CD1 3.63Å; Y323-Y602 AromaticContact CZ-CE1 3.94Å; Y323-Y602 WeakPolarHBondContact OH-CD1 3.43Å; Y323-Y602 WeakPolarHBondContact OH-CE1 3.34Å; Y323-R605 HydrophobicContact CG-CB 4.22Å; Y323-P606 WeakPolarHBondContact CB-O 3.5Å |
| 324 | F | 85.5 | Confident | 92.2 | Very high | 23 Ų | 23 | 27.5 Ų | 27.5 | 10% | 0.101 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -143.2 | 169.9 | 172.1 | 60.9 | -117.3 | 0 | 0 | 0 | 112.4 | N318 R321 Q326 C393 S395 | N318-F324 HydrophobicContact CB-CD2 4.02Å; N318-F324 HydrophobicContact CB-CE2 3.55Å; N318-F324 HydrophobicContact CB-CZ 4.35Å; N318-F324 PolarHBondContact N-O 2.93Å; R321-F324 HydrophobicContact CB-CE1 3.79Å; R321-F324 HydrophobicContact CB-CE2 4.27Å; R321-F324 HydrophobicContact CB-CZ 3.63Å; R321-F324 HydrophobicContact CG-CE1 4.43Å; R321-F324 HydrophobicContact CG-CZ 4.26Å; R321-F324 PolarHBondContact O-N 2.65Å; F324-Q326 HydrophobicContact CD2-CG 4.05Å; F324-Q326 HydrophobicContact CE2-CG 3.82Å; F324-C393 HydrophobicContact CB-CB 4.24Å; F324-C393 WeakPolarHBondContact CB-O 3.44Å; F324-S395 WeakPolarHBondContact CD2-OG 3.46Å; F324-S395 WeakPolarHBondContact CE2-OG 3.3Å |
| 325 | V | 90.2 | Very high | 92 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 150.9 | 173.2 | 165.9 | 0 | 0 | 0 | 0 | 109.6 | E315 A316 V317 M382 I392 C393 L394 S395 L608 | E315-V325 HydrophobicContact CB-CG1 3.69Å; E315-V325 HydrophobicContact CG-CG1 4.21Å; A316-V325 CarbonylContact O-C 3.58Å; A316-V325 VanDerWaalsContact O-CA 3.29Å; A316-V325 WeakPolarHBondContact O-CA 3.17Å; A316-V325 WeakPolarHBondContact O-CG1 3.33Å; V317-V325 HydrophobicContact CG2-CG2 3.94Å; V325-M382 HydrophobicContact CG2-CE 3.76Å; V325-M382 HydrophobicContact CG2-SD 4.22Å; V325-I392 HydrophobicContact CB-CG2 4.17Å; V325-I392 HydrophobicContact CG2-CD1 4.43Å; V325-I392 HydrophobicContact CG2-CG2 3.7Å; V325-C393 PolarHBondContact N-O 2.78Å; V325-L394 HydrophobicContact CB-CD1 4.47Å; V325-L394 HydrophobicContact CG1-CD1 3.84Å; V325-S395 PolarHBondContact O-N 3.12Å; V325-S395 PolarHBondContact O-OG 2.93Å; V325-L608 HydrophobicContact CG2-CD1 4.33Å |
| 326 | Q | 93 | Very high | 91.9 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 7% | 0.065 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 158.6 | 172.4 | -76.1 | -177 | -74.7 | 0 | 0 | 111.1 | A316 N318 F324 S395 P396 | A316-Q326 PolarHBondContact N-O 2.89Å; A316-Q326 PolarHBondContact O-N 3.48Å; N318-Q326 PolarHBondContact ND2-OE1 3.39Å; F324-Q326 HydrophobicContact CD2-CG 4.05Å; F324-Q326 HydrophobicContact CE2-CG 3.82Å; Q326-S395 WeakPolarHBondContact CG-OG 3.47Å; Q326-P396 PolarHBondContact NE2-O 2.56Å |
| 327 | P | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 140.4 | 160.3 | -24.5 | 36.6 | 0 | 0 | 0 | 111.4 | D344 S395 F406 W408 Y411 | P327-D344 HydrophobicContact CB-CB 4.3Å; P327-D344 PolarHBondContact O-N 2.92Å; P327-S395 WeakPolarHBondContact CD-O 3.46Å; P327-F406 HydrophobicContact CG-CE1 4.04Å; P327-F406 HydrophobicContact CG-CE2 3.97Å; P327-F406 HydrophobicContact CG-CZ 3.34Å; P327-W408 HydrophobicContact CB-CH2 3.62Å; P327-W408 HydrophobicContact CB-CZ2 3.74Å; P327-W408 HydrophobicContact CB-CZ3 4.41Å; P327-W408 HydrophobicContact CG-CH2 4.29Å; P327-W408 HydrophobicContact CG-CZ2 4Å; P327-Y411 HydrophobicContact CB-CD1 4.26Å; P327-Y411 HydrophobicContact CB-CE1 3.73Å; P327-Y411 HydrophobicContact CG-CD1 4.35Å; P327-Y411 HydrophobicContact CG-CE1 4.24Å |
| 328 | A | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 160.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K313 L314 A316 V341 E342 L343 | K313-A328 VanDerWaalsContact CA-O 3.3Å; K313-A328 WeakPolarHBondContact CA-O 3.39Å; L314-A328 HydrophobicContact CD1-CB 3.94Å; L314-A328 PolarHBondContact N-O 2.86Å; L314-A328 PolarHBondContact O-N 3.11Å; A316-A328 HydrophobicContact CB-CB 3.73Å; A328-V341 HydrophobicContact CB-CG1 3.62Å; A328-E342 CarbonylContact C-O 3.52Å; A328-E342 WeakPolarHBondContact CA-O 3.45Å; A328-E342 VanDerWaalsContact CB-O 3.27Å; A328-E342 WeakPolarHBondContact CB-O 3.19Å; A328-L343 HydrophobicContact CB-CD2 3.83Å |
| 329 | T | 95.2 | Very high | 91.9 | Very high | 20 Ų | 20 | 36.2 Ų | 36.2 | 12% | 0.123 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138.7 | -176 | -56 | 0 | 0 | 0 | 0 | 111 | W312 K313 V331 V341 E342 D344 | W312-T329 WeakPolarHBondContact O-CA 3.32Å; K313-T329 PolarHBondContact NZ-OG1 3.45Å; T329-V331 HydrophobicContact CG2-CG1 4.3Å; T329-V331 PolarHBondContact O-N 2.83Å; T329-V341 WeakPolarHBondContact O-CA 3.42Å; T329-E342 PolarHBondContact N-O 2.78Å; T329-E342 PolarHBondContact O-N 3.23Å; T329-D344 PolarHBondContact N-OD1 2.95Å; T329-D344 PolarHBondContact OG1-OD1 3.03Å |
| 330 | V | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 108.1 | 166.4 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | F308 K309 V310 G311 W312 L314 V333 F339 L340 | F308-V330 HydrophobicContact CD1-CG2 4.16Å; K309-V330 WeakPolarHBondContact O-CB 3.49Å; K309-V330 WeakPolarHBondContact O-CG1 3.23Å; V310-V330 CarbonylContact C-O 3.5Å; V310-V330 WeakPolarHBondContact CA-O 3.49Å; G311-V330 PolarHBondContact N-O 2.87Å; W312-V330 HydrophobicContact CB-CG2 4.42Å; W312-V330 PolarHBondContact O-N 2.93Å; L314-V330 HydrophobicContact CD2-CG2 3.8Å; V330-V333 HydrophobicContact CG1-CG2 4.08Å; V330-F339 HydrophobicContact CG1-CB 4.13Å; V330-F339 HydrophobicContact CG1-CD2 3.97Å; V330-F339 HydrophobicContact CG1-CG 4.42Å; V330-F339 HydrophobicContact CG2-CD2 3.83Å; V330-F339 HydrophobicContact CG2-CE2 4.02Å; V330-L340 CarbonylContact C-O 3.54Å; V330-L340 WeakPolarHBondContact CA-O 3.27Å |
| 331 | V | 95.2 | Very high | 92.8 | Very high | 45 Ų | 45 | 28.9 Ų | 28.9 | 27% | 0.273 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -20.7 | -173.7 | -68.6 | 0 | 0 | 0 | 0 | 114 | T329 L340 E342 | T329-V331 HydrophobicContact CG2-CG1 4.3Å; T329-V331 PolarHBondContact O-N 2.83Å; V331-L340 HydrophobicContact CG2-CB 4.02Å; V331-L340 HydrophobicContact CG2-CD2 3.88Å; V331-L340 HydrophobicContact CG2-CG 3.8Å; V331-L340 PolarHBondContact N-O 2.81Å; V331-E342 HydrophobicContact CB-CB 4.45Å; V331-E342 HydrophobicContact CG1-CB 3.63Å; V331-E342 HydrophobicContact CG2-CB 3.92Å |
| 332 | K | 96.2 | Very high | 93.3 | Very high | 87 Ų | 87 | 25 Ų | 25 | 38% | 0.378 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 145 | 174.7 | -178.1 | 176.4 | 174.4 | -175.9 | 0 | 109 | D191 F334 F339 L340 | D191-K332 IonicContact OD2-NZ 3.42Å; D191-K332 PolarHBondContact OD2-NZ 2.77Å; K332-F334 HydrophobicContact CD-CD1 3.96Å; K332-F334 HydrophobicContact CD-CE1 3.46Å; K332-F334 VanDerWaalsContact CD-CE1 3.46Å; K332-F334 HydrophobicContact CD-CZ 4.05Å; K332-F334 VanDerWaalsContact CE-CD1 3.47Å; K332-F334 HydrophobicContact CG-CD1 4.32Å; K332-F334 HydrophobicContact CG-CE1 4.1Å; K332-F334 HydrophobicContact CG-CZ 4.44Å; K332-F339 CarbonylContact O-C 3.49Å; K332-F339 WeakPolarHBondContact O-CA 3.4Å; K332-F339 WeakPolarHBondContact O-CB 3.45Å; K332-L340 HydrophobicContact CB-CB 3.89Å; K332-L340 HydrophobicContact CB-CD2 4.33Å; K332-L340 PolarHBondContact O-N 3.46Å |
| 333 | V | 96.1 | Very high | 93.6 | Very high | 52 Ų | 52 | 24.9 Ų | 24.9 | 32% | 0.315 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 132.5 | 165.3 | 175.6 | 0 | 0 | 0 | 0 | 106.9 | F308 V310 V330 F339 | F308-V333 WeakPolarHBondContact O-CG2 3.45Å; V310-V333 HydrophobicContact CG2-CG2 4.04Å; V330-V333 HydrophobicContact CG1-CG2 4.08Å; V333-F339 HydrophobicContact CG2-CB 4.15Å |
| 334 | F | 93.9 | Very high | 94 | Very high | 30 Ų | 30 | 24.8 Ų | 24.8 | 13% | 0.132 | 13% | 0.131 | C | C | . | . | trans | -95.1 | -47.1 | -176.7 | -59.2 | -78.9 | 0 | 0 | 0 | 111.6 | L190 D191 P192 T193 K332 Y338 L340 V373 | L190-F334 WeakPolarHBondContact O-CZ 3.22Å; D191-F334 HydrophobicContact CB-CE1 4.05Å; D191-F334 WeakPolarHBondContact OD1-CD1 3.18Å; D191-F334 WeakPolarHBondContact OD1-CE1 3.5Å; D191-F334 WeakPolarHBondContact OD2-CE1 3.38Å; P192-F334 HydrophobicContact CG-CB 4.21Å; P192-F334 HydrophobicContact CG-CD1 4.31Å; P192-F334 HydrophobicContact CG-CD2 3.74Å; P192-F334 HydrophobicContact CG-CE2 4.13Å; P192-F334 HydrophobicContact CG-CG 3.84Å; T193-F334 HydrophobicContact CG2-CB 3.99Å; T193-F334 HydrophobicContact CG2-CD1 4.1Å; T193-F334 HydrophobicContact CG2-CG 4.44Å; K332-F334 HydrophobicContact CD-CD1 3.96Å; K332-F334 HydrophobicContact CD-CE1 3.46Å; K332-F334 VanDerWaalsContact CD-CE1 3.46Å; K332-F334 HydrophobicContact CD-CZ 4.05Å; K332-F334 VanDerWaalsContact CE-CD1 3.47Å; K332-F334 HydrophobicContact CG-CD1 4.32Å; K332-F334 HydrophobicContact CG-CE1 4.1Å; K332-F334 HydrophobicContact CG-CZ 4.44Å; F334-Y338 PolarHBondContact N-O 3.18Å; F334-L340 HydrophobicContact CE2-CB 3.74Å; F334-L340 HydrophobicContact CZ-CB 3.77Å; F334-L340 HydrophobicContact CZ-CD1 4.31Å; F334-L340 HydrophobicContact CZ-CD2 4.38Å; F334-L340 HydrophobicContact CZ-CG 4.39Å; F334-V373 HydrophobicContact CE2-CG1 4.25Å; F334-V373 HydrophobicContact CE2-CG2 4.18Å; F334-V373 HydrophobicContact CZ-CG2 4.44Å | ||
| 335 | N | 91.6 | Very high | 94.3 | Very high | 70 Ų | 70 | 25.8 Ų | 25.8 | 37% | 0.374 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -161.1 | -167.8 | -179.6 | 60.4 | 19.5 | 0 | 0 | 0 | 109.1 | H306 N337 Y338 | H306-N335 PolarHBondContact CE1-O 2.86Å; H306-N335 PolarHBondContact NE2-O 2.89Å; N335-N337 PolarHBondContact O-N 2.76Å; N335-N337 VanDerWaalsContact O-N 3.13Å; N335-N337 PolarHBondContact OD1-N 2.86Å; N335-Y338 PolarHBondContact N-O 2.75Å; N335-Y338 PolarHBondContact OD1-N 3.38Å |
| 336 | S | 90.9 | Very high | 94.1 | Very high | 62 Ų | 62 | 26.6 Ų | 26.6 | 43% | 0.434 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -63.8 | -9.1 | 177.3 | 43.9 | 0 | 0 | 0 | 0 | 115.7 | L305 H306 | L305-S336 CarbonylContact C-O 3.57Å; L305-S336 VanDerWaalsContact CA-O 3.31Å; L305-S336 WeakPolarHBondContact CA-O 3.44Å; H306-S336 VanDerWaalsContact CD2-C 3.47Å; H306-S336 PolarHBondContact CD2-O 3.43Å; H306-S336 PolarHBondContact N-O 2.89Å |
| 337 | N | 90.2 | Very high | 93.4 | Very high | 25 Ų | 25 | 29.7 Ų | 29.7 | 13% | 0.134 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -121.8 | -26.8 | -169 | -55.6 | 79.9 | 0 | 0 | 0 | 112.7 | Q303 H306 N335 Y375 | Q303-N337 HydrophobicContact CB-CB 4.48Å; Q303-N337 PolarHBondContact O-ND2 2.86Å; H306-N337 PolarHBondContact NE2-N 2.83Å; N335-N337 PolarHBondContact O-N 2.76Å; N335-N337 VanDerWaalsContact O-N 3.13Å; N335-N337 PolarHBondContact OD1-N 2.86Å; N337-Y375 VanDerWaalsContact O-CB 3.29Å; N337-Y375 WeakPolarHBondContact O-CB 3.46Å |
| 338 | Y | 93.9 | Very high | 91.8 | Very high | 35 Ų | 35 | 32.3 Ų | 32.3 | 14% | 0.137 | 17% | 0.171 | C | C | . | . | trans | -131.5 | 145.9 | -176.6 | -58.8 | -66.7 | 0 | 0 | 0 | 114.3 | P192 R238 Q303 H306 F334 N335 V373 A374 | P192-Y338 HydrophobicContact CB-CD2 4.01Å; P192-Y338 HydrophobicContact CB-CE2 4.42Å; P192-Y338 HydrophobicContact CB-CG 4.29Å; P192-Y338 HydrophobicContact CG-CD2 3.94Å; P192-Y338 HydrophobicContact CG-CG 3.93Å; R238-Y338 WeakPolarHBondContact CD-OH 3.36Å; Q303-Y338 HydrophobicContact CB-CE1 4.41Å; Q303-Y338 HydrophobicContact CG-CE1 3.79Å; H306-Y338 PolarHBondContact NE2-N 2.86Å; F334-Y338 PolarHBondContact N-O 3.18Å; N335-Y338 PolarHBondContact N-O 2.75Å; N335-Y338 PolarHBondContact OD1-N 3.38Å; Y338-V373 HydrophobicContact CD1-CG1 4Å; Y338-V373 HydrophobicContact CG-CG1 4.25Å; Y338-A374 WeakPolarHBondContact CA-O 3.5Å | ||
| 339 | F | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 157.8 | 173.3 | 56.1 | -81.6 | 0 | 0 | 0 | 111 | H306 F308 L314 V330 K332 V333 V341 A374 I381 | H306-F339 AromaticContact CD2-CD1 3.78Å; H306-F339 AromaticContact CE1-CD1 3.88Å; H306-F339 AromaticContact NE2-CD1 3.67Å; F308-F339 HydrophobicContact CB-CD1 4.18Å; F308-F339 HydrophobicContact CB-CD2 4.39Å; F308-F339 HydrophobicContact CB-CE1 4.26Å; F308-F339 HydrophobicContact CB-CE2 4.45Å; F308-F339 HydrophobicContact CB-CG 4.25Å; F308-F339 HydrophobicContact CB-CZ 4.38Å; F308-F339 HydrophobicContact CD1-CE2 4.19Å; F308-F339 HydrophobicContact CD1-CZ 4.15Å; F308-F339 AromaticContact CD2-CD1 3.99Å; F308-F339 HydrophobicContact CD2-CD1 3.99Å; F308-F339 AromaticContact CD2-CE1 3.26Å; F308-F339 HydrophobicContact CD2-CE1 3.26Å; F308-F339 HydrophobicContact CD2-CE2 4.08Å; F308-F339 AromaticContact CD2-CZ 3.3Å; F308-F339 HydrophobicContact CD2-CZ 3.3Å; F308-F339 HydrophobicContact CE1-CE2 4.5Å; F308-F339 HydrophobicContact CE1-CZ 4.27Å; F308-F339 AromaticContact CE2-CE1 3.72Å; F308-F339 HydrophobicContact CE2-CE1 3.72Å; F308-F339 HydrophobicContact CE2-CE2 4.39Å; F308-F339 AromaticContact CE2-CZ 3.45Å; F308-F339 HydrophobicContact CE2-CZ 3.45Å; F308-F339 VanDerWaalsContact CE2-CZ 3.45Å; F308-F339 HydrophobicContact CG-CD1 4.29Å; F308-F339 HydrophobicContact CG-CD2 4.42Å; F308-F339 AromaticContact CG-CE1 3.88Å; F308-F339 HydrophobicContact CG-CE1 3.88Å; F308-F339 AromaticContact CG-CE2 3.99Å; F308-F339 HydrophobicContact CG-CE2 3.99Å; F308-F339 AromaticContact CG-CZ 3.7Å; F308-F339 HydrophobicContact CG-CZ 3.7Å; F308-F339 AromaticContact CZ-CZ 3.95Å; F308-F339 HydrophobicContact CZ-CZ 3.95Å; L314-F339 HydrophobicContact CD2-CE2 4.4Å; V330-F339 HydrophobicContact CG1-CB 4.13Å; V330-F339 HydrophobicContact CG1-CD2 3.97Å; V330-F339 HydrophobicContact CG1-CG 4.42Å; V330-F339 HydrophobicContact CG2-CD2 3.83Å; V330-F339 HydrophobicContact CG2-CE2 4.02Å; K332-F339 CarbonylContact O-C 3.49Å; K332-F339 WeakPolarHBondContact O-CA 3.4Å; K332-F339 WeakPolarHBondContact O-CB 3.45Å; V333-F339 HydrophobicContact CG2-CB 4.15Å; F339-V341 HydrophobicContact CD2-CG2 3.78Å; F339-V341 HydrophobicContact CE2-CG2 3.63Å; F339-A374 HydrophobicContact CD2-CB 4.11Å; F339-A374 HydrophobicContact CE1-CB 4.35Å; F339-A374 HydrophobicContact CE2-CB 3.69Å; F339-A374 HydrophobicContact CZ-CB 3.82Å; F339-A374 PolarHBondContact N-O 2.91Å; F339-A374 PolarHBondContact O-N 3.15Å; F339-I381 HydrophobicContact CE2-CD1 4.23Å; F339-I381 HydrophobicContact CZ-CD1 3.63Å |
| 340 | L | 97.2 | Very high | 87.1 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.3 | 179.6 | -168.2 | 61.4 | 0 | 0 | 0 | 109.4 | L190 V330 V331 K332 F334 Q371 V373 | L190-L340 HydrophobicContact CB-CD1 4.45Å; L190-L340 HydrophobicContact CD2-CD1 4.32Å; V330-L340 CarbonylContact C-O 3.54Å; V330-L340 WeakPolarHBondContact CA-O 3.27Å; V331-L340 HydrophobicContact CG2-CB 4.02Å; V331-L340 HydrophobicContact CG2-CD2 3.88Å; V331-L340 HydrophobicContact CG2-CG 3.8Å; V331-L340 PolarHBondContact N-O 2.81Å; K332-L340 HydrophobicContact CB-CB 3.89Å; K332-L340 HydrophobicContact CB-CD2 4.33Å; K332-L340 PolarHBondContact O-N 3.46Å; F334-L340 HydrophobicContact CE2-CB 3.74Å; F334-L340 HydrophobicContact CZ-CB 3.77Å; F334-L340 HydrophobicContact CZ-CD1 4.31Å; F334-L340 HydrophobicContact CZ-CD2 4.38Å; F334-L340 HydrophobicContact CZ-CG 4.39Å; L340-Q371 HydrophobicContact CD1-CB 4.2Å; L340-V373 HydrophobicContact CD1-CG2 4.18Å |
| 341 | V | 97 | Very high | 84.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.3 | 173.9 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | L314 A316 A328 T329 F339 Q371 F372 A374 I381 | L314-V341 HydrophobicContact CD1-CG1 4.09Å; L314-V341 HydrophobicContact CD2-CG2 4.34Å; A316-V341 HydrophobicContact CB-CG1 4.3Å; A328-V341 HydrophobicContact CB-CG1 3.62Å; T329-V341 WeakPolarHBondContact O-CA 3.42Å; F339-V341 HydrophobicContact CD2-CG2 3.78Å; F339-V341 HydrophobicContact CE2-CG2 3.63Å; V341-Q371 CarbonylContact O-C 3.57Å; V341-Q371 WeakPolarHBondContact O-CA 3.39Å; V341-F372 HydrophobicContact CB-CD1 4.42Å; V341-F372 HydrophobicContact CB-CE1 4.01Å; V341-F372 HydrophobicContact CB-CE2 4.21Å; V341-F372 HydrophobicContact CB-CZ 3.9Å; V341-F372 HydrophobicContact CG1-CE1 3.75Å; V341-F372 HydrophobicContact CG1-CZ 3.76Å; V341-F372 HydrophobicContact CG2-CZ 4.46Å; V341-F372 PolarHBondContact N-O 2.95Å; V341-F372 PolarHBondContact O-N 2.76Å; V341-A374 HydrophobicContact CG2-CB 3.69Å; V341-I381 HydrophobicContact CG2-CG2 4.48Å |
| 342 | E | 96.6 | Very high | 81.7 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.4 | 171.1 | -172.7 | 177.6 | 122 | 0 | 0 | 109.3 | A328 T329 V331 K369 Q371 | A328-E342 CarbonylContact C-O 3.52Å; A328-E342 WeakPolarHBondContact CA-O 3.45Å; A328-E342 VanDerWaalsContact CB-O 3.27Å; A328-E342 WeakPolarHBondContact CB-O 3.19Å; T329-E342 PolarHBondContact N-O 2.78Å; T329-E342 PolarHBondContact O-N 3.23Å; V331-E342 HydrophobicContact CB-CB 4.45Å; V331-E342 HydrophobicContact CG1-CB 3.63Å; V331-E342 HydrophobicContact CG2-CB 3.92Å; E342-K369 HydrophobicContact CG-CB 4.2Å; E342-K369 IonicContact OE1-NZ 2.6Å; E342-K369 PolarHBondContact OE1-NZ 2.66Å; E342-K369 WeakPolarHBondContact OE2-CD 3.47Å; E342-K369 IonicContact OE2-NZ 2.83Å; E342-K369 PolarHBondContact OE2-NZ 2.99Å; E342-Q371 HydrophobicContact CB-CG 3.88Å; E342-Q371 HydrophobicContact CG-CG 3.77Å; E342-Q371 PolarHBondContact OE2-NE2 2.92Å |
| 343 | L | 94.9 | Very high | 79.1 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.3 | 170.7 | -54.5 | -173 | 0 | 0 | 0 | 110 | A316 N318 A328 D345 I370 F372 | A316-L343 HydrophobicContact CB-CD2 3.67Å; N318-L343 HydrophobicContact CB-CD1 3.78Å; N318-L343 VanDerWaalsContact CG-CD1 3.5Å; N318-L343 VanDerWaalsContact ND2-CD1 3.27Å; N318-L343 WeakPolarHBondContact ND2-CD1 3.36Å; A328-L343 HydrophobicContact CB-CD2 3.83Å; L343-D345 PolarHBondContact O-N 2.89Å; L343-I370 HydrophobicContact CB-CB 4.26Å; L343-I370 HydrophobicContact CD1-CB 3.89Å; L343-I370 HydrophobicContact CD1-CD1 4.25Å; L343-I370 HydrophobicContact CD1-CG2 3.59Å; L343-I370 HydrophobicContact CG-CB 4.05Å; L343-I370 HydrophobicContact CG-CG2 3.98Å; L343-I370 PolarHBondContact N-O 2.9Å; L343-F372 HydrophobicContact CD2-CE1 4.25Å |
| 344 | D | 93.4 | Very high | 76.3 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.064 | 29% | 0.291 | C | S | . | . | trans | -70.5 | 130.6 | -173.4 | -69.7 | -9.6 | 0 | 0 | 0 | 112 | K313 P327 T329 P397 Y411 | K313-D344 VanDerWaalsContact NZ-CG 3.31Å; K313-D344 IonicContact NZ-OD1 3.13Å; K313-D344 PolarHBondContact NZ-OD1 2.72Å; K313-D344 IonicContact NZ-OD2 2.76Å; K313-D344 PolarHBondContact NZ-OD2 2.89Å; P327-D344 HydrophobicContact CB-CB 4.3Å; P327-D344 PolarHBondContact O-N 2.92Å; T329-D344 PolarHBondContact N-OD1 2.95Å; T329-D344 PolarHBondContact OG1-OD1 3.03Å; D344-P397 HydrophobicContact CB-CB 3.97Å; D344-P397 WeakPolarHBondContact O-CA 3.06Å; D344-P397 WeakPolarHBondContact O-CB 3.41Å; D344-Y411 VanDerWaalsContact CB-OH 3.27Å; D344-Y411 WeakPolarHBondContact CB-OH 3.41Å; D344-Y411 WeakPolarHBondContact OD2-CE1 3.42Å; D344-Y411 PolarHBondContact OD2-OH 3.05Å | ||
| 345 | D | 90.6 | Very high | 73.7 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -128.8 | 132.9 | 174.7 | -161.1 | -53.7 | 0 | 0 | 0 | 110.3 | L343 N347 S398 Y421 | L343-D345 PolarHBondContact O-N 2.89Å; D345-N347 WeakPolarHBondContact OD1-CB 3.46Å; D345-N347 PolarHBondContact OD1-N 3.32Å; D345-N347 PolarHBondContact OD1-ND2 3Å; D345-S398 VanDerWaalsContact CG-CB 3.43Å; D345-S398 WeakPolarHBondContact OD2-CB 3.38Å; D345-S398 PolarHBondContact OD2-OG 2.67Å; D345-Y421 PolarHBondContact O-OH 2.86Å |
| 346 | L | 86.2 | Confident | 71 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -102.9 | -8.5 | -177.4 | -55.8 | 177.5 | 0 | 0 | 0 | 113.8 | P397 S398 W400 Y411 Y414 L415 Y421 | L346-P397 HydrophobicContact CD1-CG 3.82Å; L346-P397 HydrophobicContact CG-CB 4.33Å; L346-P397 HydrophobicContact CG-CG 4.13Å; L346-S398 VanDerWaalsContact CB-O 3.28Å; L346-S398 WeakPolarHBondContact CB-O 3.42Å; L346-S398 PolarHBondContact N-O 3.07Å; L346-W400 HydrophobicContact CD1-CB 4.44Å; L346-W400 HydrophobicContact CD1-CE3 3.93Å; L346-Y411 HydrophobicContact CD1-CE2 4.34Å; L346-Y411 HydrophobicContact CD2-CE2 4.25Å; L346-Y414 HydrophobicContact CD1-CD1 4.45Å; L346-Y414 HydrophobicContact CD1-CE1 3.96Å; L346-L415 HydrophobicContact CD2-CD2 4.28Å; L346-Y421 WeakPolarHBondContact CA-OH 3.49Å; L346-Y421 HydrophobicContact CD2-CE2 4.14Å; L346-Y421 WeakPolarHBondContact CD2-OH 3.36Å |
| 347 | N | 79.8 | Confident | 68.2 | Low | 80 Ų | 80 | 71.2 Ų | 71.2 | 43% | 0.428 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -74.4 | -31.7 | -176.8 | -56.6 | -73.5 | 0 | 0 | 0 | 112.7 | D345 N349 Q350 S398 G399 | D345-N347 WeakPolarHBondContact OD1-CB 3.46Å; D345-N347 PolarHBondContact OD1-N 3.32Å; D345-N347 PolarHBondContact OD1-ND2 3Å; N347-N349 PolarHBondContact O-N 3.43Å; N347-N349 VanDerWaalsContact O-N 3.11Å; N347-Q350 PolarHBondContact O-N 2.72Å; N347-S398 WeakPolarHBondContact ND2-CB 3.01Å; N347-G399 PolarHBondContact ND2-N 2.83Å; N347-G399 WeakPolarHBondContact OD1-CA 3.38Å |
| 348 | H | 61.4 | Low | 65.2 | Low | 55 Ų | 55 | 75.3 Ų | 75.3 | 26% | 0.255 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -53.6 | -38.2 | -170 | -93.7 | -84.2 | 0 | 0 | 0 | 113.6 | Q350 S351 S367 | H348-Q350 VanDerWaalsContact C-N 3.27Å; H348-Q350 PolarHBondContact O-N 3.03Å; H348-S351 PolarHBondContact O-N 3.04Å; H348-S351 PolarHBondContact O-OG 3.4Å; H348-S367 PolarHBondContact CE1-OG 3.04Å; H348-S367 PolarHBondContact NE2-OG 2.83Å |
| 349 | N | 47 | Very low | 62 | Low | 68 Ų | 68 | 78.6 Ų | 78.6 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -72.5 | -13.1 | -172.4 | -65.1 | 13.1 | 0 | 0 | 0 | 114.4 | N347 S351 Y421 | N347-N349 PolarHBondContact O-N 3.43Å; N347-N349 VanDerWaalsContact O-N 3.11Å; N349-S351 VanDerWaalsContact C-N 3.31Å; N349-Y421 VanDerWaalsContact ND2-CE2 3.27Å; N349-Y421 WeakPolarHBondContact ND2-CE2 3.39Å |
| 350 | Q | 44.2 | Very low | 58.8 | Low | 153 Ų | 153 | 86.4 Ų | 86.4 | 72% | 0.715 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -70.7 | -31.5 | 168.8 | -69.4 | -174.9 | -8.3 | 0 | 0 | 111.2 | N347 H348 E352 | N347-Q350 PolarHBondContact O-N 2.72Å; H348-Q350 VanDerWaalsContact C-N 3.27Å; H348-Q350 PolarHBondContact O-N 3.03Å; Q350-E352 VanDerWaalsContact C-N 3.32Å; Q350-E352 PolarHBondContact O-N 2.86Å |
| 351 | S | 38.9 | Very low | 55.6 | Low | 56 Ų | 56 | 93.4 Ų | 93.4 | 39% | 0.392 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -84 | 5.3 | -172 | 75.5 | 0 | 0 | 0 | 0 | 115.6 | H348 N349 K355 | H348-S351 PolarHBondContact O-N 3.04Å; H348-S351 PolarHBondContact O-OG 3.4Å; N349-S351 VanDerWaalsContact C-N 3.31Å; S351-K355 WeakPolarHBondContact O-CD 3.5Å; S351-K355 WeakPolarHBondContact O-CE 3.47Å; S351-K355 PolarHBondContact O-NZ 3.43Å |
| 352 | E | 40.5 | Very low | 52.2 | Low | 135 Ų | 135 | 101 Ų | 101 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -112.9 | -14 | -179 | -62.1 | -162.9 | 146 | 0 | 0 | 114.2 | Q350 | Q350-E352 VanDerWaalsContact C-N 3.32Å; Q350-E352 PolarHBondContact O-N 2.86Å |
| 353 | L | 40 | Very low | 48.9 | Very low | 151 Ų | 151 | 104.9 Ų | 104.9 | 79% | 0.791 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -26.4 | 174.1 | -75.5 | 163.5 | 0 | 0 | 0 | 113 | K355 | L353-K355 VanDerWaalsContact C-N 3.35Å; L353-K355 PolarHBondContact O-N 2.98Å |
| 354 | D | 38.5 | Very low | 45.7 | Very low | 134 Ų | 134 | 111.4 Ų | 111.4 | 72% | 0.717 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 15.7 | -175.5 | -59.9 | -23.9 | 0 | 0 | 0 | 113.8 | ||
| 355 | K | 38 | Very low | 42.7 | Very low | 133 Ų | 133 | 118.9 Ų | 118.9 | 58% | 0.578 | 64% | 0.637 | S | S | * | * | trans | -99.8 | 0.2 | -165.4 | -89.8 | -177 | -178.7 | 134.5 | 0 | 117.2 | S351 L353 | S351-K355 WeakPolarHBondContact O-CD 3.5Å; S351-K355 WeakPolarHBondContact O-CE 3.47Å; S351-K355 PolarHBondContact O-NZ 3.43Å; L353-K355 VanDerWaalsContact C-N 3.35Å; L353-K355 PolarHBondContact O-N 2.98Å | ||
| 356 | E | 35.7 | Very low | 40.2 | Very low | 193 Ų | 193 | 125.3 Ų | 125.3 | 90% | 0.902 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -80.2 | -25.8 | 177.5 | -62.5 | -160.1 | 132.5 | 0 | 0 | 113.3 | ||
| 357 | D | 31.3 | Very low | 38.2 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 86% | 0.856 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -126.6 | 67.7 | -174.9 | -87.9 | -46.4 | 0 | 0 | 0 | 114.2 | ||
| 358 | S | 28.6 | Very low | 37.5 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | trans | -166.2 | 132.8 | 147.9 | 39.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 359 | S | 26.3 | Very low | 38.6 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | trans | -100.1 | 136 | 179.9 | 59.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 360 | I | 29.8 | Very low | 40.8 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 84% | 0.836 | 70% | 0.696 | S | S | * | * | trans | 56.8 | 73.8 | 156.1 | -44.6 | 160.9 | 0 | 0 | 0 | 116.3 | ||||
| 361 | I | 28.2 | Very low | 43.2 | Very low | 161 Ų | 161 | 125 Ų | 125 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | trans | -136.7 | 141.7 | 139.7 | -62 | -172.3 | 0 | 0 | 0 | 108.8 | S363 | I361-S363 PolarHBondContact O-N 2.66Å; I361-S363 VanDerWaalsContact O-N 3.11Å | ||
| 362 | N | 27 | Very low | 45.8 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 85% | 0.85 | 66% | 0.659 | S | S | * | * | trans | -66.9 | 103 | -174.6 | -69.1 | -51.8 | 0 | 0 | 0 | 113.5 | ||||
| 363 | S | 26.2 | Very low | 48.4 | Very low | 107 Ų | 107 | 117.6 Ų | 117.6 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | trans | -104.3 | 23.4 | 174.3 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | I361 L365 | I361-S363 PolarHBondContact O-N 2.66Å; I361-S363 VanDerWaalsContact O-N 3.11Å; S363-L365 PolarHBondContact O-N 3.05Å | ||
| 364 | N | 27.2 | Very low | 51 | Low | 145 Ų | 145 | 110.4 Ų | 110.4 | 78% | 0.775 | 60% | 0.595 | S | S | * | * | trans | -75.1 | 36.7 | 176.4 | -84.9 | -18.3 | 0 | 0 | 0 | 114.4 | F366 | N364-F366 PolarHBondContact O-N 3.35Š| ||
| 365 | L | 32.4 | Very low | 53.6 | Low | 169 Ų | 169 | 105.4 Ų | 105.4 | 89% | 0.885 | 57% | 0.566 | S | S | * | * | trans | -85.5 | 95.2 | 164.4 | -154.1 | 77.4 | 0 | 0 | 0 | 107.5 | S363 S367 | S363-L365 PolarHBondContact O-N 3.05Å; L365-S367 PolarHBondContact O-N 3.18Å | ||
| 366 | F | 36.4 | Very low | 56.1 | Low | 178 Ų | 178 | 99 Ų | 99 | 78% | 0.781 | 54% | 0.539 | S | S | * | . | trans | -49.6 | 111.5 | -173.3 | -78.1 | -100 | 0 | 0 | 0 | 112.6 | N364 S368 | N364-F366 PolarHBondContact O-N 3.35Å; F366-S368 PolarHBondContact O-N 2.88Å | ||
| 367 | S | 44.3 | Very low | 58.5 | Low | 78 Ų | 78 | 90.9 Ų | 90.9 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | trans | -69.4 | 78.6 | 148.9 | -174.7 | 0 | 0 | 0 | 0 | 107.3 | H348 L365 K369 | H348-S367 PolarHBondContact CE1-OG 3.04Å; H348-S367 PolarHBondContact NE2-OG 2.83Å; L365-S367 PolarHBondContact O-N 3.18Å; S367-K369 PolarHBondContact O-N 3.42Å; S367-K369 VanDerWaalsContact O-N 3.08Å | ||
| 368 | S | 65.1 | Low | 61.4 | Low | 80 Ų | 80 | 84.7 Ų | 84.7 | 56% | 0.559 | 47% | 0.472 | S | S | * | . | trans | -75.2 | 99 | -173.7 | 57.5 | 0 | 0 | 0 | 0 | 110 | F366 I370 | F366-S368 PolarHBondContact O-N 2.88Å; S368-I370 PolarHBondContact O-N 3.36Å | ||
| 369 | K | 86 | Confident | 64.2 | Low | 111 Ų | 111 | 79.9 Ų | 79.9 | 48% | 0.483 | 44% | 0.439 | S | S | . | . | trans | -34.6 | 120.1 | 164.5 | -74.6 | 160.4 | 158.6 | -79.5 | 0 | 110.3 | E342 S367 Q371 | E342-K369 HydrophobicContact CG-CB 4.2Å; E342-K369 IonicContact OE1-NZ 2.6Å; E342-K369 PolarHBondContact OE1-NZ 2.66Å; E342-K369 WeakPolarHBondContact OE2-CD 3.47Å; E342-K369 IonicContact OE2-NZ 2.83Å; E342-K369 PolarHBondContact OE2-NZ 2.99Å; S367-K369 PolarHBondContact O-N 3.42Å; S367-K369 VanDerWaalsContact O-N 3.08Å; K369-Q371 HydrophobicContact CB-CG 4.19Å; K369-Q371 PolarHBondContact O-N 3.36Å; K369-Q371 VanDerWaalsContact O-N 3.08Å | ||
| 370 | I | 91.7 | Very high | 67.3 | Low | 46 Ų | 46 | 76.2 Ų | 76.2 | 24% | 0.236 | 41% | 0.41 | C | S | . | . | trans | -78.3 | 101.2 | -178.4 | -56 | 174.8 | 0 | 0 | 0 | 107.6 | P319 L320 L343 S368 | P319-I370 HydrophobicContact CG-CG2 3.8Å; L320-I370 HydrophobicContact CD1-CD1 3.96Å; L320-I370 HydrophobicContact CD1-CG1 4.02Å; L320-I370 HydrophobicContact CD1-CG2 4.4Å; L320-I370 HydrophobicContact CG-CG2 4.34Å; L343-I370 HydrophobicContact CB-CB 4.26Å; L343-I370 HydrophobicContact CD1-CB 3.89Å; L343-I370 HydrophobicContact CD1-CD1 4.25Å; L343-I370 HydrophobicContact CD1-CG2 3.59Å; L343-I370 HydrophobicContact CG-CB 4.05Å; L343-I370 HydrophobicContact CG-CG2 3.98Å; L343-I370 PolarHBondContact N-O 2.9Å; S368-I370 PolarHBondContact O-N 3.36Å | ||
| 371 | Q | 94.5 | Very high | 70.3 | Confident | 51 Ų | 51 | 68.8 Ų | 68.8 | 24% | 0.238 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 153.1 | -176.4 | -68.6 | 178.5 | -12.4 | 0 | 0 | 111.7 | L190 L340 V341 E342 K369 | L190-Q371 HydrophobicContact CD2-CB 3.78Å; L190-Q371 WeakPolarHBondContact CD2-O 3.44Å; L340-Q371 HydrophobicContact CD1-CB 4.2Å; V341-Q371 CarbonylContact O-C 3.57Å; V341-Q371 WeakPolarHBondContact O-CA 3.39Å; E342-Q371 HydrophobicContact CB-CG 3.88Å; E342-Q371 HydrophobicContact CG-CG 3.77Å; E342-Q371 PolarHBondContact OE2-NE2 2.92Å; K369-Q371 HydrophobicContact CB-CG 4.19Å; K369-Q371 PolarHBondContact O-N 3.36Å; K369-Q371 VanDerWaalsContact O-N 3.08Å |
| 372 | F | 95 | Very high | 73.3 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 151.5 | 169.2 | 64.3 | -84.8 | 0 | 0 | 0 | 112.2 | A316 P319 V341 L343 A374 M378 I381 | A316-F372 HydrophobicContact CB-CE1 3.97Å; A316-F372 HydrophobicContact CB-CZ 3.81Å; P319-F372 HydrophobicContact CG-CD1 4.2Å; V341-F372 HydrophobicContact CB-CD1 4.42Å; V341-F372 HydrophobicContact CB-CE1 4.01Å; V341-F372 HydrophobicContact CB-CE2 4.21Å; V341-F372 HydrophobicContact CB-CZ 3.9Å; V341-F372 HydrophobicContact CG1-CE1 3.75Å; V341-F372 HydrophobicContact CG1-CZ 3.76Å; V341-F372 HydrophobicContact CG2-CZ 4.46Å; V341-F372 PolarHBondContact N-O 2.95Å; V341-F372 PolarHBondContact O-N 2.76Å; L343-F372 HydrophobicContact CD2-CE1 4.25Å; F372-A374 HydrophobicContact CD2-CB 4.31Å; F372-A374 HydrophobicContact CE2-CB 3.98Å; F372-A374 PolarHBondContact O-N 3.05Å; F372-M378 HydrophobicContact CD2-CE 4.22Å; F372-M378 HydrophobicContact CD2-SD 4.41Å; F372-M378 HydrophobicContact CE2-CE 4.22Å; F372-M378 HydrophobicContact CE2-SD 4.13Å; F372-I381 HydrophobicContact CE2-CG2 3.9Å; F372-I381 HydrophobicContact CZ-CG2 3.83Å |
| 373 | V | 95.3 | Very high | 76.3 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 116.1 | 176.2 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | P192 F334 Y338 L340 | P192-V373 HydrophobicContact CB-CG1 4.41Å; P192-V373 HydrophobicContact CG-CG1 3.91Å; F334-V373 HydrophobicContact CE2-CG1 4.25Å; F334-V373 HydrophobicContact CE2-CG2 4.18Å; F334-V373 HydrophobicContact CZ-CG2 4.44Å; Y338-V373 HydrophobicContact CD1-CG1 4Å; Y338-V373 HydrophobicContact CG-CG1 4.25Å; L340-V373 HydrophobicContact CD1-CG2 4.18Å |
| 374 | A | 94.7 | Very high | 79.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 167.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y338 F339 V341 F372 M378 I381 | Y338-A374 WeakPolarHBondContact CA-O 3.5Å; F339-A374 HydrophobicContact CD2-CB 4.11Å; F339-A374 HydrophobicContact CE1-CB 4.35Å; F339-A374 HydrophobicContact CE2-CB 3.69Å; F339-A374 HydrophobicContact CZ-CB 3.82Å; F339-A374 PolarHBondContact N-O 2.91Å; F339-A374 PolarHBondContact O-N 3.15Å; V341-A374 HydrophobicContact CG2-CB 3.69Å; F372-A374 HydrophobicContact CD2-CB 4.31Å; F372-A374 HydrophobicContact CE2-CB 3.98Å; F372-A374 PolarHBondContact O-N 3.05Å; A374-M378 HydrophobicContact CB-SD 3.96Å; A374-I381 HydrophobicContact CB-CD1 4.38Å; A374-I381 HydrophobicContact CB-CG2 4.31Å |
| 375 | Y | 92.4 | Very high | 82.1 | Confident | 28 Ų | 28 | 47 Ų | 47 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | trans | -147.2 | 160 | 177.4 | 54.4 | -85.1 | 0 | 0 | 0 | 109 | Q303 N337 M378 | Q303-Y375 HydrophobicContact CB-CD2 4.2Å; Q303-Y375 HydrophobicContact CB-CG 4.23Å; Q303-Y375 HydrophobicContact CG-CD2 4.18Å; Q303-Y375 HydrophobicContact CG-CG 4.11Å; N337-Y375 VanDerWaalsContact O-CB 3.29Å; N337-Y375 WeakPolarHBondContact O-CB 3.46Å; Y375-M378 HydrophobicContact CD1-CB 4.16Å; Y375-M378 HydrophobicContact CD1-CG 4.43Å; Y375-M378 HydrophobicContact CD1-SD 4.11Å; Y375-M378 HydrophobicContact CD2-CB 4Å; Y375-M378 HydrophobicContact CE1-CB 3.94Å; Y375-M378 HydrophobicContact CE1-CE 4.5Å; Y375-M378 HydrophobicContact CE1-CG 3.89Å; Y375-M378 HydrophobicContact CE1-SD 3.85Å; Y375-M378 HydrophobicContact CE2-CB 3.76Å; Y375-M378 HydrophobicContact CE2-CG 4.43Å; Y375-M378 HydrophobicContact CG-CB 4.18Å; Y375-M378 VanDerWaalsContact O-CB 3.22Å; Y375-M378 WeakPolarHBondContact O-CB 3.48Å; Y375-M378 PolarHBondContact O-N 2.93Å | ||
| 376 | A | 90.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 139.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | P304 H306 F308 M378 V485 | P304-A376 HydrophobicContact CB-CB 4.19Å; P304-A376 WeakPolarHBondContact CD-O 2.95Å; P304-A376 WeakPolarHBondContact CG-O 3.34Å; H306-A376 HydrophobicContact CB-CB 3.73Å; F308-A376 HydrophobicContact CE2-CB 4.39Å; A376-M378 VanDerWaalsContact C-N 3.35Å; A376-V485 WeakPolarHBondContact CB-O 3.36Å |
| 377 | G | 87.1 | Confident | 86.8 | Confident | 21 Ų | 21 | 32.4 Ų | 32.4 | 22% | 0.216 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 4.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115 | P379 F486 R612 | G377-P379 WeakPolarHBondContact O-CD 3.3Å; G377-F486 WeakPolarHBondContact CA-O 3.42Å; G377-F486 PolarHBondContact N-O 2.93Å; G377-R612 PolarHBondContact O-NH2 3.49Å |
| 378 | M | 90.5 | Very high | 88.3 | Confident | 30 Ų | 30 | 32.5 Ų | 32.5 | 15% | 0.148 | 17% | 0.172 | C | C | . | . | trans | -72.9 | 118.6 | 171.1 | -175.3 | 176.9 | -169.5 | 0 | 0 | 110.5 | F372 A374 Y375 A376 E380 I381 | F372-M378 HydrophobicContact CD2-CE 4.22Å; F372-M378 HydrophobicContact CD2-SD 4.41Å; F372-M378 HydrophobicContact CE2-CE 4.22Å; F372-M378 HydrophobicContact CE2-SD 4.13Å; A374-M378 HydrophobicContact CB-SD 3.96Å; Y375-M378 HydrophobicContact CD1-CB 4.16Å; Y375-M378 HydrophobicContact CD1-CG 4.43Å; Y375-M378 HydrophobicContact CD1-SD 4.11Å; Y375-M378 HydrophobicContact CD2-CB 4Å; Y375-M378 HydrophobicContact CE1-CB 3.94Å; Y375-M378 HydrophobicContact CE1-CE 4.5Å; Y375-M378 HydrophobicContact CE1-CG 3.89Å; Y375-M378 HydrophobicContact CE1-SD 3.85Å; Y375-M378 HydrophobicContact CE2-CB 3.76Å; Y375-M378 HydrophobicContact CE2-CG 4.43Å; Y375-M378 HydrophobicContact CG-CB 4.18Å; Y375-M378 VanDerWaalsContact O-CB 3.22Å; Y375-M378 WeakPolarHBondContact O-CB 3.48Å; Y375-M378 PolarHBondContact O-N 2.93Å; A376-M378 VanDerWaalsContact C-N 3.35Å; M378-E380 VanDerWaalsContact C-N 3.26Å; M378-E380 HydrophobicContact CE-CB 4.16Å; M378-E380 HydrophobicContact CE-CG 4.39Å; M378-E380 HydrophobicContact CG-CB 4.39Å; M378-E380 VanDerWaalsContact CG-OE2 3.31Å; M378-E380 WeakPolarHBondContact CG-OE2 3.38Å; M378-E380 PolarHBondContact O-N 3.1Å; M378-I381 HydrophobicContact CB-CG1 4.16Å; M378-I381 VanDerWaalsContact O-CG1 3.25Å; M378-I381 WeakPolarHBondContact O-CG1 3.36Å; M378-I381 PolarHBondContact O-N 2.84Å | ||
| 379 | P | 87.9 | Confident | 88.8 | Confident | 10 Ų | 10 | 35 Ų | 35 | 7% | 0.065 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.9 | -173.4 | -22.8 | 34.8 | 0 | 0 | 0 | 115.5 | G377 I381 H579 L580 D610 | G377-P379 WeakPolarHBondContact O-CD 3.3Å; P379-I381 VanDerWaalsContact C-N 3.3Å; P379-I381 PolarHBondContact O-N 3.29Å; P379-H579 HydrophobicContact CG-CB 3.99Å; P379-L580 HydrophobicContact CB-CB 3.96Å; P379-L580 HydrophobicContact CB-CD1 4.06Å; P379-L580 HydrophobicContact CB-CG 4.5Å; P379-D610 WeakPolarHBondContact CD-OD2 3.41Å; P379-D610 HydrophobicContact CG-CB 4.03Å; P379-D610 WeakPolarHBondContact CG-OD2 3.45Å |
| 380 | E | 91.5 | Very high | 88.2 | Confident | 28 Ų | 28 | 31.9 Ų | 31.9 | 13% | 0.131 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.6 | 179.5 | -69.2 | 80.3 | -178.6 | 0 | 0 | 114.2 | A316 V317 M378 D610 | A316-E380 WeakPolarHBondContact CA-O 3.26Å; V317-E380 HydrophobicContact CB-CB 4.08Å; V317-E380 HydrophobicContact CB-CG 4.26Å; V317-E380 HydrophobicContact CG2-CB 4.18Å; V317-E380 HydrophobicContact CG2-CG 4.39Å; V317-E380 PolarHBondContact N-O 3.47Å; M378-E380 VanDerWaalsContact C-N 3.26Å; M378-E380 HydrophobicContact CE-CB 4.16Å; M378-E380 HydrophobicContact CE-CG 4.39Å; M378-E380 HydrophobicContact CG-CB 4.39Å; M378-E380 VanDerWaalsContact CG-OE2 3.31Å; M378-E380 WeakPolarHBondContact CG-OE2 3.38Å; M378-E380 PolarHBondContact O-N 3.1Å; E380-D610 WeakPolarHBondContact OE1-CB 3.28Å; E380-D610 PolarHBondContact OE1-N 3.19Å |
| 381 | I | 93.1 | Very high | 87.2 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 145.6 | 171.8 | 59.4 | 166.6 | 0 | 0 | 0 | 111.1 | F308 L314 E315 A316 F339 V341 F372 A374 M378 P379 F486 | F308-I381 HydrophobicContact CZ-CD1 4.25Å; L314-I381 HydrophobicContact CD1-CB 4.28Å; L314-I381 HydrophobicContact CD1-CG2 4.08Å; E315-I381 CarbonylContact O-C 3.6Å; E315-I381 WeakPolarHBondContact O-CA 3.39Å; A316-I381 HydrophobicContact CB-CG2 4.5Å; F339-I381 HydrophobicContact CE2-CD1 4.23Å; F339-I381 HydrophobicContact CZ-CD1 3.63Å; V341-I381 HydrophobicContact CG2-CG2 4.48Å; F372-I381 HydrophobicContact CE2-CG2 3.9Å; F372-I381 HydrophobicContact CZ-CG2 3.83Å; A374-I381 HydrophobicContact CB-CD1 4.38Å; A374-I381 HydrophobicContact CB-CG2 4.31Å; M378-I381 HydrophobicContact CB-CG1 4.16Å; M378-I381 VanDerWaalsContact O-CG1 3.25Å; M378-I381 WeakPolarHBondContact O-CG1 3.36Å; M378-I381 PolarHBondContact O-N 2.84Å; P379-I381 VanDerWaalsContact C-N 3.3Å; P379-I381 PolarHBondContact O-N 3.29Å; I381-F486 HydrophobicContact CB-CE1 4.4Å; I381-F486 HydrophobicContact CD1-CD1 4.12Å; I381-F486 HydrophobicContact CD1-CE1 4.39Å; I381-F486 HydrophobicContact CG1-CD1 4.19Å; I381-F486 HydrophobicContact CG1-CE1 4.49Å |
| 382 | M | 90.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 158.8 | -178.4 | 64.6 | -157.4 | 79.3 | 0 | 0 | 113.1 | E315 V317 V325 E386 I392 F486 | E315-M382 HydrophobicContact CB-CG 3.49Å; E315-M382 VanDerWaalsContact CB-CG 3.49Å; E315-M382 PolarHBondContact N-O 3.37Å; E315-M382 PolarHBondContact O-N 2.9Å; V317-M382 HydrophobicContact CG2-CE 4.14Å; V325-M382 HydrophobicContact CG2-CE 3.76Å; V325-M382 HydrophobicContact CG2-SD 4.22Å; M382-E386 HydrophobicContact CB-CB 3.99Å; M382-E386 HydrophobicContact CB-CG 3.9Å; M382-E386 HydrophobicContact CG-CB 4.08Å; M382-E386 HydrophobicContact CG-CG 4.33Å; M382-I392 HydrophobicContact CE-CD1 4.36Å; M382-I392 HydrophobicContact SD-CD1 4.19Å; M382-F486 WeakPolarHBondContact O-CE1 3.17Å; M382-F486 WeakPolarHBondContact O-CZ 3.37Å |
| 383 | P | 90.7 | Very high | 85.6 | Confident | 23 Ų | 23 | 27.6 Ų | 27.6 | 15% | 0.149 | 15% | 0.148 | C | C | . | . | trans | -58.3 | 161.6 | 174 | -23.9 | 31.3 | 0 | 0 | 0 | 114.1 | N385 E386 E483 F486 | P383-N385 PolarHBondContact O-N 2.84Å; P383-E386 HydrophobicContact CB-CB 4.2Å; P383-E386 HydrophobicContact CG-CB 4.44Å; P383-E386 WeakPolarHBondContact O-CB 3.34Å; P383-E386 PolarHBondContact O-N 2.85Å; P383-E483 HydrophobicContact CG-CB 4.44Å; P383-E483 HydrophobicContact CG-CG 4.1Å; P383-F486 HydrophobicContact CB-CE2 4.09Å; P383-F486 HydrophobicContact CB-CZ 4.44Å; P383-F486 HydrophobicContact CG-CD2 3.72Å; P383-F486 HydrophobicContact CG-CE2 3.77Å; P383-F486 HydrophobicContact CG-CG 4.15Å; P383-F486 HydrophobicContact CG-CZ 4.27Å | ||
| 384 | V | 89.2 | Confident | 85.1 | Confident | 30 Ų | 30 | 28.1 Ų | 28.1 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 125.9 | 175 | 161.1 | 0 | 0 | 0 | 0 | 111.7 | E386 W408 I479 | V384-E386 VanDerWaalsContact C-N 3.33Å; V384-W408 HydrophobicContact CB-CD2 4.3Å; V384-W408 HydrophobicContact CG1-CB 3.89Å; V384-W408 HydrophobicContact CG1-CD2 3.58Å; V384-W408 HydrophobicContact CG1-CE3 4.04Å; V384-W408 HydrophobicContact CG1-CG 3.49Å; V384-W408 VanDerWaalsContact CG1-CG 3.49Å; V384-W408 HydrophobicContact CG2-CD2 3.98Å; V384-W408 HydrophobicContact CG2-CE3 3.98Å; V384-W408 HydrophobicContact CG2-CH2 3.83Å; V384-W408 HydrophobicContact CG2-CZ2 3.83Å; V384-W408 HydrophobicContact CG2-CZ3 3.9Å; V384-I479 HydrophobicContact CB-CG2 4.09Å; V384-I479 HydrophobicContact CG2-CG2 3.82Å |
| 385 | N | 85.4 | Confident | 84.8 | Confident | 62 Ų | 62 | 29 Ų | 29 | 33% | 0.332 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 1.4 | -169.8 | -44.4 | -80.3 | 0 | 0 | 0 | 116.8 | E315 P383 S387 Q388 L389 | E315-N385 WeakPolarHBondContact OE1-CA 3.29Å; E315-N385 PolarHBondContact OE1-N 3.41Å; P383-N385 PolarHBondContact O-N 2.84Å; N385-S387 PolarHBondContact O-N 2.86Å; N385-Q388 WeakPolarHBondContact O-CB 3.37Å; N385-Q388 PolarHBondContact O-N 3Å; N385-L389 PolarHBondContact O-N 3.49Å |
| 386 | E | 84.1 | Confident | 84.7 | Confident | 40 Ų | 40 | 28.4 Ų | 28.4 | 19% | 0.187 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.8 | -34.9 | -176.9 | 178.3 | 66.1 | 177.1 | 0 | 0 | 112.3 | E315 M382 P383 V384 Q388 L389 R390 | E315-E386 PolarHBondContact OE2-N 2.81Å; M382-E386 HydrophobicContact CB-CB 3.99Å; M382-E386 HydrophobicContact CB-CG 3.9Å; M382-E386 HydrophobicContact CG-CB 4.08Å; M382-E386 HydrophobicContact CG-CG 4.33Å; P383-E386 HydrophobicContact CB-CB 4.2Å; P383-E386 HydrophobicContact CG-CB 4.44Å; P383-E386 WeakPolarHBondContact O-CB 3.34Å; P383-E386 PolarHBondContact O-N 2.85Å; V384-E386 VanDerWaalsContact C-N 3.33Å; E386-Q388 PolarHBondContact O-N 2.93Å; E386-L389 PolarHBondContact O-N 2.86Å; E386-L389 VanDerWaalsContact O-N 3.17Å; E386-L389 WeakPolarHBondContact OE2-CD1 3.43Å; E386-R390 HydrophobicContact CG-CG 4.35Å; E386-R390 WeakPolarHBondContact O-CB 3.46Å; E386-R390 WeakPolarHBondContact O-CG 3.48Å; E386-R390 PolarHBondContact O-N 2.93Å; E386-R390 IonicContact OE1-CZ 3.55Å; E386-R390 IonicContact OE1-NE 3.33Å; E386-R390 PolarHBondContact OE1-NE 3.2Å; E386-R390 IonicContact OE1-NH2 2.72Å; E386-R390 PolarHBondContact OE1-NH2 3.11Å |
| 387 | S | 83.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.8 | -38.5 | 172.4 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | E315 N385 R390 G391 I392 | E315-S387 PolarHBondContact OE1-OG 2.92Å; E315-S387 WeakPolarHBondContact OE2-CA 3.48Å; E315-S387 WeakPolarHBondContact OE2-CB 3.4Å; E315-S387 PolarHBondContact OE2-N 2.8Å; E315-S387 PolarHBondContact OE2-OG 2.96Å; N385-S387 PolarHBondContact O-N 2.86Å; S387-R390 CarbonylContact O-C 3.49Å; S387-R390 PolarHBondContact O-N 2.89Å; S387-G391 PolarHBondContact O-N 3.12Å; S387-I392 PolarHBondContact O-N 3.18Å |
| 388 | Q | 77 | Confident | 84.9 | Confident | 79 Ų | 79 | 29.6 Ų | 29.6 | 37% | 0.369 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -70.5 | -39.5 | 178.4 | -58.3 | -169.3 | -4.1 | 0 | 0 | 111.8 | N385 E386 R390 G391 L394 | N385-Q388 WeakPolarHBondContact O-CB 3.37Å; N385-Q388 PolarHBondContact O-N 3Å; E386-Q388 PolarHBondContact O-N 2.93Å; Q388-R390 VanDerWaalsContact C-N 3.32Å; Q388-G391 PolarHBondContact O-N 2.61Å; Q388-L394 HydrophobicContact CG-CB 4.32Å; Q388-L394 HydrophobicContact CG-CD2 4.16Å |
| 389 | L | 75.3 | Confident | 84.6 | Confident | 132 Ų | 132 | 29.6 Ų | 29.6 | 69% | 0.691 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -63.2 | -39.9 | 172.8 | -67 | 173.2 | 0 | 0 | 0 | 111.4 | N385 E386 G391 | N385-L389 PolarHBondContact O-N 3.49Å; E386-L389 PolarHBondContact O-N 2.86Å; E386-L389 VanDerWaalsContact O-N 3.17Å; E386-L389 WeakPolarHBondContact OE2-CD1 3.43Å; L389-G391 PolarHBondContact O-N 2.83Å |
| 390 | R | 73.8 | Confident | 84.6 | Confident | 46 Ų | 46 | 29.6 Ų | 29.6 | 17% | 0.174 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -7.8 | 172.1 | -64.6 | -179 | -169.7 | 174.4 | 7.9 | 113 | E386 S387 Q388 I392 R574 | E386-R390 HydrophobicContact CG-CG 4.35Å; E386-R390 WeakPolarHBondContact O-CB 3.46Å; E386-R390 WeakPolarHBondContact O-CG 3.48Å; E386-R390 PolarHBondContact O-N 2.93Å; E386-R390 IonicContact OE1-CZ 3.55Å; E386-R390 IonicContact OE1-NE 3.33Å; E386-R390 PolarHBondContact OE1-NE 3.2Å; E386-R390 IonicContact OE1-NH2 2.72Å; E386-R390 PolarHBondContact OE1-NH2 3.11Å; S387-R390 CarbonylContact O-C 3.49Å; S387-R390 PolarHBondContact O-N 2.89Å; Q388-R390 VanDerWaalsContact C-N 3.32Å; R390-I392 VanDerWaalsContact C-N 3.32Å; R390-I392 HydrophobicContact CB-CD1 4.01Å; R390-I392 HydrophobicContact CB-CG1 4.11Å; R390-I392 PolarHBondContact O-N 3.03Å; R390-R574 PolarHBondContact O-NH1 3.32Å; R390-R574 PolarHBondContact O-NH2 3.2Å |
| 391 | G | 70.2 | Confident | 84.3 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 10% | 0.103 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 39.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S387 Q388 L389 | S387-G391 PolarHBondContact O-N 3.12Å; Q388-G391 PolarHBondContact O-N 2.61Å; L389-G391 PolarHBondContact O-N 2.83Å |
| 392 | I | 77 | Confident | 83.6 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | trans | -89.4 | 151.5 | 165.7 | -58.8 | 167.2 | 0 | 0 | 0 | 107.9 | V325 M382 S387 R390 L394 W582 L608 | V325-I392 HydrophobicContact CB-CG2 4.17Å; V325-I392 HydrophobicContact CG2-CD1 4.43Å; V325-I392 HydrophobicContact CG2-CG2 3.7Å; M382-I392 HydrophobicContact CE-CD1 4.36Å; M382-I392 HydrophobicContact SD-CD1 4.19Å; S387-I392 PolarHBondContact O-N 3.18Å; R390-I392 VanDerWaalsContact C-N 3.32Å; R390-I392 HydrophobicContact CB-CD1 4.01Å; R390-I392 HydrophobicContact CB-CG1 4.11Å; R390-I392 PolarHBondContact O-N 3.03Å; I392-L394 PolarHBondContact O-N 3.23Å; I392-W582 HydrophobicContact CD1-CH2 4.24Å; I392-W582 HydrophobicContact CD1-CZ2 3.73Å; I392-W582 HydrophobicContact CG1-CZ2 3.59Å; I392-L608 HydrophobicContact CD1-CD2 4.44Å; I392-L608 HydrophobicContact CG2-CD1 3.95Å | ||
| 393 | C | 79.1 | Confident | 83.2 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | trans | -69.9 | 109.5 | 170.2 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | F324 V325 S395 F915 | F324-C393 HydrophobicContact CB-CB 4.24Å; F324-C393 WeakPolarHBondContact CB-O 3.44Å; V325-C393 PolarHBondContact N-O 2.78Å; C393-S395 PolarHBondContact O-N 3.2Å; C393-F915 HydrophobicContact CB-CB 4.44Å; C393-F915 HydrophobicContact CB-CD1 4.35Å; C393-F915 HydrophobicContact CB-CD2 4.3Å; C393-F915 HydrophobicContact CB-CG 4.1Å | ||
| 394 | L | 85 | Confident | 82.6 | Confident | 23 Ų | 23 | 47.1 Ų | 47.1 | 12% | 0.12 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -83.5 | 104.3 | 165 | -176.6 | 60.6 | 0 | 0 | 0 | 108.3 | E315 V325 Q388 I392 F406 | E315-L394 HydrophobicContact CG-CD1 4.14Å; E315-L394 WeakPolarHBondContact OE1-CD2 3.4Å; V325-L394 HydrophobicContact CB-CD1 4.47Å; V325-L394 HydrophobicContact CG1-CD1 3.84Å; Q388-L394 HydrophobicContact CG-CB 4.32Å; Q388-L394 HydrophobicContact CG-CD2 4.16Å; I392-L394 PolarHBondContact O-N 3.23Å; L394-F406 HydrophobicContact CD2-CD1 4.22Å; L394-F406 HydrophobicContact CD2-CE1 3.78Å; L394-F406 HydrophobicContact CG-CD1 4.34Å; L394-F406 HydrophobicContact CG-CE1 4.08Å |
| 395 | S | 87.5 | Confident | 82.3 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 148.4 | 175 | 60.3 | 0 | 0 | 0 | 0 | 110.8 | F324 V325 Q326 P327 C393 | F324-S395 WeakPolarHBondContact CD2-OG 3.46Å; F324-S395 WeakPolarHBondContact CE2-OG 3.3Å; V325-S395 PolarHBondContact O-N 3.12Å; V325-S395 PolarHBondContact O-OG 2.93Å; Q326-S395 WeakPolarHBondContact CG-OG 3.47Å; P327-S395 WeakPolarHBondContact CD-O 3.46Å; C393-S395 PolarHBondContact O-N 3.2Å |
| 396 | P | 90.8 | Very high | 82.4 | Confident | 15 Ų | 15 | 54 Ų | 54 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 162.6 | 175.6 | 25.9 | -33.9 | 0 | 0 | 0 | 112.4 | Q326 W400 F406 I906 | Q326-P396 PolarHBondContact NE2-O 2.56Å; P396-W400 HydrophobicContact CB-CB 3.68Å; P396-W400 HydrophobicContact CB-CG 3.77Å; P396-F406 HydrophobicContact CB-CB 4.08Å; P396-F406 HydrophobicContact CB-CD2 3.82Å; P396-F406 HydrophobicContact CB-CG 4.03Å; P396-I906 HydrophobicContact CG-CD1 4.21Å |
| 397 | P | 91.4 | Very high | 82.5 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 154.8 | 165 | 30.5 | -34.1 | 0 | 0 | 0 | 109.9 | D344 L346 W400 F406 Y411 | D344-P397 HydrophobicContact CB-CB 3.97Å; D344-P397 WeakPolarHBondContact O-CA 3.06Å; D344-P397 WeakPolarHBondContact O-CB 3.41Å; L346-P397 HydrophobicContact CD1-CG 3.82Å; L346-P397 HydrophobicContact CG-CB 4.33Å; L346-P397 HydrophobicContact CG-CG 4.13Å; P397-W400 HydrophobicContact CG-CB 4.24Å; P397-W400 WeakPolarHBondContact O-CB 3.21Å; P397-W400 PolarHBondContact O-N 3.49Å; P397-F406 VanDerWaalsContact CD-CE2 3.41Å; P397-F406 HydrophobicContact CG-CE2 4.32Å; P397-Y411 HydrophobicContact CG-CD2 4.28Å; P397-Y411 HydrophobicContact CG-CE2 3.85Å |
| 398 | S | 88.8 | Confident | 82.7 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -57.8 | 144.2 | 173.3 | -43.5 | 0 | 0 | 0 | 0 | 109.9 | D345 L346 N347 W400 | D345-S398 VanDerWaalsContact CG-CB 3.43Å; D345-S398 WeakPolarHBondContact OD2-CB 3.38Å; D345-S398 PolarHBondContact OD2-OG 2.67Å; L346-S398 VanDerWaalsContact CB-O 3.28Å; L346-S398 WeakPolarHBondContact CB-O 3.42Å; L346-S398 PolarHBondContact N-O 3.07Å; N347-S398 WeakPolarHBondContact ND2-CB 3.01Å; S398-W400 VanDerWaalsContact C-N 3.27Å; S398-W400 PolarHBondContact O-N 2.9Å |
| 399 | G | 86.1 | Confident | 83.2 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 2.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N347 | N347-G399 PolarHBondContact ND2-N 2.83Å; N347-G399 WeakPolarHBondContact OD1-CA 3.38Å |
| 400 | W | 88.1 | Confident | 83.9 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | trans | -63.2 | 136.4 | 173 | -178.7 | -101.3 | 0 | 0 | 0 | 112.3 | L346 P396 P397 S398 T402 R404 F406 N410 Y411 Y414 | L346-W400 HydrophobicContact CD1-CB 4.44Å; L346-W400 HydrophobicContact CD1-CE3 3.93Å; P396-W400 HydrophobicContact CB-CB 3.68Å; P396-W400 HydrophobicContact CB-CG 3.77Å; P397-W400 HydrophobicContact CG-CB 4.24Å; P397-W400 WeakPolarHBondContact O-CB 3.21Å; P397-W400 PolarHBondContact O-N 3.49Å; S398-W400 VanDerWaalsContact C-N 3.27Å; S398-W400 PolarHBondContact O-N 2.9Å; W400-T402 PolarHBondContact O-N 3.01Å; W400-R404 HydrophobicContact CZ2-CB 3.96Å; W400-R404 PolarHBondContact NE1-O 2.94Å; W400-F406 AromaticContact CD2-CD2 3.97Å; W400-F406 HydrophobicContact CD2-CD2 3.97Å; W400-F406 AromaticContact CE2-CD2 3.96Å; W400-F406 HydrophobicContact CE3-CD2 4.38Å; W400-F406 HydrophobicContact CG-CD2 4.32Å; W400-F406 HydrophobicContact CZ2-CD2 4.34Å; W400-N410 HydrophobicContact CH2-CB 4.16Å; W400-N410 HydrophobicContact CZ2-CB 4.24Å; W400-Y411 HydrophobicContact CE3-CD2 4.11Å; W400-Y411 AromaticContact CZ3-CD2 3.8Å; W400-Y411 HydrophobicContact CZ3-CD2 3.8Å; W400-Y414 HydrophobicContact CH2-CG 4.37Å; W400-Y414 HydrophobicContact CZ3-CD1 4.09Å; W400-Y414 HydrophobicContact CZ3-CD2 4.16Å; W400-Y414 AromaticContact CZ3-CG 3.75Å; W400-Y414 HydrophobicContact CZ3-CG 3.75Å | ||
| 401 | P | 84.8 | Confident | 84.6 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | trans | -59.7 | 121.4 | -178.7 | -26.6 | 35.8 | 0 | 0 | 0 | 113.5 | N403 R404 Y414 | P401-N403 WeakPolarHBondContact CB-OD1 3.49Å; P401-N403 PolarHBondContact O-N 3.16Å; P401-N403 VanDerWaalsContact O-N 3.13Å; P401-R404 HydrophobicContact CB-CB 4.48Å; P401-R404 HydrophobicContact CB-CG 4.39Å; P401-R404 PolarHBondContact O-N 3.4Å; P401-Y414 HydrophobicContact CG-CE2 4.08Å | ||
| 402 | T | 78 | Confident | 85.5 | Confident | 121 Ų | 121 | 50.8 Ų | 50.8 | 74% | 0.742 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.7 | -178.4 | 51 | 0 | 0 | 0 | 0 | 114.1 | W400 R404 I903 | W400-T402 PolarHBondContact O-N 3.01Å; T402-R404 VanDerWaalsContact C-N 3.34Å; T402-I903 HydrophobicContact CG2-CD1 3.97Å; T402-I903 HydrophobicContact CG2-CG1 4.09Å; T402-I903 HydrophobicContact CG2-CG2 4.43Å |
| 403 | N | 81 | Confident | 85.9 | Confident | 136 Ų | 136 | 54.8 Ų | 54.8 | 73% | 0.727 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 3.2 | 176.2 | 67.2 | -1.7 | 0 | 0 | 0 | 114.3 | P401 | P401-N403 WeakPolarHBondContact CB-OD1 3.49Å; P401-N403 PolarHBondContact O-N 3.16Å; P401-N403 VanDerWaalsContact O-N 3.13Å |
| 404 | R | 79.4 | Confident | 86.3 | Confident | 137 Ų | 137 | 55.9 Ų | 55.9 | 52% | 0.517 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -120.6 | 126.1 | 177.9 | -69.2 | -174.3 | 178.2 | -164.2 | 0.8 | 111.7 | W400 P401 T402 F406 | W400-R404 HydrophobicContact CZ2-CB 3.96Å; W400-R404 PolarHBondContact NE1-O 2.94Å; P401-R404 HydrophobicContact CB-CB 4.48Å; P401-R404 HydrophobicContact CB-CG 4.39Å; P401-R404 PolarHBondContact O-N 3.4Å; T402-R404 VanDerWaalsContact C-N 3.34Å; R404-F406 PolarHBondContact O-N 2.95Å |
| 405 | Y | 82.2 | Confident | 86.3 | Confident | 206 Ų | 206 | 55.6 Ų | 55.6 | 81% | 0.808 | 30% | 0.296 | S | S | * | . | trans | -60.3 | 127.4 | 167.9 | -61.2 | -76.2 | 0 | 0 | 0 | 110.5 | T407 N410 | Y405-T407 PolarHBondContact O-N 3.02Å; Y405-N410 PolarHBondContact O-ND2 3.27Å | ||
| 406 | F | 87.5 | Confident | 86.1 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 13% | 0.132 | 31% | 0.307 | C | S | . | . | trans | -72.3 | 125.8 | 176 | -175.6 | -89.5 | 0 | 0 | 0 | 110.8 | P327 L394 P396 P397 W400 R404 Y411 | P327-F406 HydrophobicContact CG-CE1 4.04Å; P327-F406 HydrophobicContact CG-CE2 3.97Å; P327-F406 HydrophobicContact CG-CZ 3.34Å; L394-F406 HydrophobicContact CD2-CD1 4.22Å; L394-F406 HydrophobicContact CD2-CE1 3.78Å; L394-F406 HydrophobicContact CG-CD1 4.34Å; L394-F406 HydrophobicContact CG-CE1 4.08Å; P396-F406 HydrophobicContact CB-CB 4.08Å; P396-F406 HydrophobicContact CB-CD2 3.82Å; P396-F406 HydrophobicContact CB-CG 4.03Å; P397-F406 VanDerWaalsContact CD-CE2 3.41Å; P397-F406 HydrophobicContact CG-CE2 4.32Å; W400-F406 AromaticContact CD2-CD2 3.97Å; W400-F406 HydrophobicContact CD2-CD2 3.97Å; W400-F406 AromaticContact CE2-CD2 3.96Å; W400-F406 HydrophobicContact CE3-CD2 4.38Å; W400-F406 HydrophobicContact CG-CD2 4.32Å; W400-F406 HydrophobicContact CZ2-CD2 4.34Å; R404-F406 PolarHBondContact O-N 2.95Å; F406-Y411 HydrophobicContact CE2-CD1 4.09Å; F406-Y411 HydrophobicContact CE2-CD2 4.02Å; F406-Y411 AromaticContact CE2-CG 3.61Å; F406-Y411 HydrophobicContact CE2-CG 3.61Å; F406-Y411 HydrophobicContact CZ-CD1 4.01Å; F406-Y411 AromaticContact CZ-CG 3.94Å; F406-Y411 HydrophobicContact CZ-CG 3.94Å | ||
| 407 | T | 86.2 | Confident | 85.5 | Confident | 50 Ų | 50 | 60 Ų | 60 | 31% | 0.307 | 33% | 0.331 | S | S | . | . | trans | -143.6 | 155.2 | 164.5 | 70.4 | 0 | 0 | 0 | 0 | 107.5 | Y405 T409 N410 Y411 | Y405-T407 PolarHBondContact O-N 3.02Å; T407-T409 VanDerWaalsContact C-N 3.26Å; T407-T409 PolarHBondContact O-N 3.37Å; T407-N410 PolarHBondContact O-N 2.82Å; T407-N410 VanDerWaalsContact O-N 3.14Å; T407-N410 WeakPolarHBondContact OG1-CB 3.34Å; T407-N410 PolarHBondContact OG1-N 2.89Å; T407-N410 PolarHBondContact OG1-ND2 3.31Å; T407-N410 PolarHBondContact OG1-OD1 2.94Å; T407-Y411 WeakPolarHBondContact O-CB 3.45Å; T407-Y411 PolarHBondContact O-N 2.89Å | ||
| 408 | W | 88.2 | Confident | 84.6 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 1% | 0.011 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.3 | -37.2 | 175.7 | -84.5 | 100 | 0 | 0 | 0 | 113 | K313 L314 E315 P327 V384 Y411 L412 | K313-W408 HydrophobicContact CB-CH2 4.08Å; K313-W408 HydrophobicContact CB-CZ3 3.91Å; K313-W408 HydrophobicContact CD-CZ3 4.05Å; L314-W408 WeakPolarHBondContact O-CH2 3.42Å; E315-W408 HydrophobicContact CG-CZ2 3.62Å; E315-W408 PolarHBondContact OE1-NE1 3.36Å; P327-W408 HydrophobicContact CB-CH2 3.62Å; P327-W408 HydrophobicContact CB-CZ2 3.74Å; P327-W408 HydrophobicContact CB-CZ3 4.41Å; P327-W408 HydrophobicContact CG-CH2 4.29Å; P327-W408 HydrophobicContact CG-CZ2 4Å; V384-W408 HydrophobicContact CB-CD2 4.3Å; V384-W408 HydrophobicContact CG1-CB 3.89Å; V384-W408 HydrophobicContact CG1-CD2 3.58Å; V384-W408 HydrophobicContact CG1-CE3 4.04Å; V384-W408 HydrophobicContact CG1-CG 3.49Å; V384-W408 VanDerWaalsContact CG1-CG 3.49Å; V384-W408 HydrophobicContact CG2-CD2 3.98Å; V384-W408 HydrophobicContact CG2-CE3 3.98Å; V384-W408 HydrophobicContact CG2-CH2 3.83Å; V384-W408 HydrophobicContact CG2-CZ2 3.83Å; V384-W408 HydrophobicContact CG2-CZ3 3.9Å; W408-Y411 AromaticContact CE3-CD1 3.91Å; W408-Y411 HydrophobicContact CE3-CD1 3.91Å; W408-Y411 HydrophobicContact CH2-CE1 4.5Å; W408-Y411 AromaticContact CZ3-CD1 3.85Å; W408-Y411 HydrophobicContact CZ3-CD1 3.85Å; W408-Y411 HydrophobicContact CZ3-CE1 4.06Å; W408-Y411 PolarHBondContact O-N 2.96Å; W408-L412 HydrophobicContact CE3-CD1 4.19Å; W408-L412 HydrophobicContact CE3-CD2 4.26Å; W408-L412 HydrophobicContact CE3-CG 4.12Å; W408-L412 HydrophobicContact CZ3-CD2 4.35Å; W408-L412 WeakPolarHBondContact O-CB 3.33Å; W408-L412 VanDerWaalsContact O-CG 3.22Å; W408-L412 WeakPolarHBondContact O-CG 3.29Å; W408-L412 PolarHBondContact O-N 3.22Å |
| 409 | T | 87.4 | Confident | 83 | Confident | 103 Ų | 103 | 64.9 Ų | 64.9 | 63% | 0.632 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61 | -47.4 | 173.5 | -45.4 | 0 | 0 | 0 | 0 | 111.6 | T407 Y411 T413 | T407-T409 VanDerWaalsContact C-N 3.26Å; T407-T409 PolarHBondContact O-N 3.37Å; T409-Y411 VanDerWaalsContact C-N 3.31Å; T409-Y411 PolarHBondContact O-N 2.79Å; T409-T413 VanDerWaalsContact O-CB 3.27Å; T409-T413 WeakPolarHBondContact O-CB 3.4Å; T409-T413 PolarHBondContact O-N 2.9Å; T409-T413 PolarHBondContact O-OG1 2.8Å |
| 410 | N | 88.7 | Confident | 81.1 | Confident | 70 Ų | 70 | 69.9 Ų | 69.9 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 178 | -70.5 | -5.6 | 0 | 0 | 0 | 111.5 | W400 Y405 T407 Y414 | W400-N410 HydrophobicContact CH2-CB 4.16Å; W400-N410 HydrophobicContact CZ2-CB 4.24Å; Y405-N410 PolarHBondContact O-ND2 3.27Å; T407-N410 PolarHBondContact O-N 2.82Å; T407-N410 VanDerWaalsContact O-N 3.14Å; T407-N410 WeakPolarHBondContact OG1-CB 3.34Å; T407-N410 PolarHBondContact OG1-N 2.89Å; T407-N410 PolarHBondContact OG1-ND2 3.31Å; T407-N410 PolarHBondContact OG1-OD1 2.94Å; N410-Y414 VanDerWaalsContact O-CB 3.26Å; N410-Y414 WeakPolarHBondContact O-CB 3.27Å; N410-Y414 PolarHBondContact O-N 3.47Å |
| 411 | Y | 90.4 | Very high | 79.1 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 0% | 0.004 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.7 | -48.7 | -177.8 | 179.9 | -133.2 | 0 | 0 | 0 | 112.5 | K313 P327 D344 L346 P397 W400 F406 T407 W408 T409 T413 Y414 L415 | K313-Y411 HydrophobicContact CD-CE1 4.25Å; P327-Y411 HydrophobicContact CB-CD1 4.26Å; P327-Y411 HydrophobicContact CB-CE1 3.73Å; P327-Y411 HydrophobicContact CG-CD1 4.35Å; P327-Y411 HydrophobicContact CG-CE1 4.24Å; D344-Y411 VanDerWaalsContact CB-OH 3.27Å; D344-Y411 WeakPolarHBondContact CB-OH 3.41Å; D344-Y411 WeakPolarHBondContact OD2-CE1 3.42Å; D344-Y411 PolarHBondContact OD2-OH 3.05Å; L346-Y411 HydrophobicContact CD1-CE2 4.34Å; L346-Y411 HydrophobicContact CD2-CE2 4.25Å; P397-Y411 HydrophobicContact CG-CD2 4.28Å; P397-Y411 HydrophobicContact CG-CE2 3.85Å; W400-Y411 HydrophobicContact CE3-CD2 4.11Å; W400-Y411 AromaticContact CZ3-CD2 3.8Å; W400-Y411 HydrophobicContact CZ3-CD2 3.8Å; F406-Y411 HydrophobicContact CE2-CD1 4.09Å; F406-Y411 HydrophobicContact CE2-CD2 4.02Å; F406-Y411 AromaticContact CE2-CG 3.61Å; F406-Y411 HydrophobicContact CE2-CG 3.61Å; F406-Y411 HydrophobicContact CZ-CD1 4.01Å; F406-Y411 AromaticContact CZ-CG 3.94Å; F406-Y411 HydrophobicContact CZ-CG 3.94Å; T407-Y411 WeakPolarHBondContact O-CB 3.45Å; T407-Y411 PolarHBondContact O-N 2.89Å; W408-Y411 AromaticContact CE3-CD1 3.91Å; W408-Y411 HydrophobicContact CE3-CD1 3.91Å; W408-Y411 HydrophobicContact CH2-CE1 4.5Å; W408-Y411 AromaticContact CZ3-CD1 3.85Å; W408-Y411 HydrophobicContact CZ3-CD1 3.85Å; W408-Y411 HydrophobicContact CZ3-CE1 4.06Å; W408-Y411 PolarHBondContact O-N 2.96Å; T409-Y411 VanDerWaalsContact C-N 3.31Å; T409-Y411 PolarHBondContact O-N 2.79Å; Y411-T413 VanDerWaalsContact C-N 3.35Å; Y411-T413 PolarHBondContact O-N 2.81Å; Y411-Y414 WeakPolarHBondContact O-CB 2.97Å; Y411-Y414 PolarHBondContact O-N 2.95Å; Y411-Y414 VanDerWaalsContact O-N 3.16Å; Y411-L415 HydrophobicContact CD2-CD1 4.46Å; Y411-L415 HydrophobicContact CD2-CG 4.4Å; Y411-L415 HydrophobicContact CE1-CD1 4.01Å; Y411-L415 HydrophobicContact CE2-CD1 3.91Å; Y411-L415 HydrophobicContact CE2-CD2 4.17Å; Y411-L415 HydrophobicContact CE2-CG 3.96Å; Y411-L415 WeakPolarHBondContact O-CG 3.22Å; Y411-L415 PolarHBondContact O-N 2.87Å |
| 412 | L | 87.3 | Confident | 77 | Confident | 13 Ų | 13 | 76.6 Ų | 76.6 | 7% | 0.068 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 177.1 | -63.5 | 170.2 | 0 | 0 | 0 | 110.8 | K313 W408 Y414 L415 S416 L477 I479 | K313-L412 HydrophobicContact CD-CD2 4.08Å; W408-L412 HydrophobicContact CE3-CD1 4.19Å; W408-L412 HydrophobicContact CE3-CD2 4.26Å; W408-L412 HydrophobicContact CE3-CG 4.12Å; W408-L412 HydrophobicContact CZ3-CD2 4.35Å; W408-L412 WeakPolarHBondContact O-CB 3.33Å; W408-L412 VanDerWaalsContact O-CG 3.22Å; W408-L412 WeakPolarHBondContact O-CG 3.29Å; W408-L412 PolarHBondContact O-N 3.22Å; L412-Y414 VanDerWaalsContact C-N 3.31Å; L412-Y414 PolarHBondContact O-N 3Å; L412-L415 PolarHBondContact O-N 3.18Å; L412-S416 PolarHBondContact O-N 3.24Å; L412-S416 PolarHBondContact O-OG 3.3Å; L412-S416 VanDerWaalsContact O-OG 3.13Å; L412-L477 HydrophobicContact CB-CD1 4.34Å; L412-L477 HydrophobicContact CB-CD2 4.13Å; L412-L477 HydrophobicContact CD1-CD1 4.29Å; L412-L477 HydrophobicContact CD2-CD2 4.43Å; L412-I479 HydrophobicContact CD1-CD1 3.69Å; L412-I479 HydrophobicContact CD1-CG1 4.08Å |
| 413 | T | 87.1 | Confident | 74.7 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 55% | 0.546 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 172.6 | -52.9 | 0 | 0 | 0 | 0 | 112 | T409 Y411 A417 | T409-T413 VanDerWaalsContact O-CB 3.27Å; T409-T413 WeakPolarHBondContact O-CB 3.4Å; T409-T413 PolarHBondContact O-N 2.9Å; T409-T413 PolarHBondContact O-OG1 2.8Å; Y411-T413 VanDerWaalsContact C-N 3.35Å; Y411-T413 PolarHBondContact O-N 2.81Å; T413-A417 WeakPolarHBondContact O-CB 3.4Å; T413-A417 PolarHBondContact O-N 3.27Å |
| 414 | Y | 86.9 | Confident | 72.2 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 16% | 0.157 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 174.9 | 178 | -86.5 | 0 | 0 | 0 | 111.2 | L346 W400 P401 N410 Y411 L412 A417 H418 | L346-Y414 HydrophobicContact CD1-CD1 4.45Å; L346-Y414 HydrophobicContact CD1-CE1 3.96Å; W400-Y414 HydrophobicContact CH2-CG 4.37Å; W400-Y414 HydrophobicContact CZ3-CD1 4.09Å; W400-Y414 HydrophobicContact CZ3-CD2 4.16Å; W400-Y414 AromaticContact CZ3-CG 3.75Å; W400-Y414 HydrophobicContact CZ3-CG 3.75Å; P401-Y414 HydrophobicContact CG-CE2 4.08Å; N410-Y414 VanDerWaalsContact O-CB 3.26Å; N410-Y414 WeakPolarHBondContact O-CB 3.27Å; N410-Y414 PolarHBondContact O-N 3.47Å; Y411-Y414 WeakPolarHBondContact O-CB 2.97Å; Y411-Y414 PolarHBondContact O-N 2.95Å; Y411-Y414 VanDerWaalsContact O-N 3.16Å; L412-Y414 VanDerWaalsContact C-N 3.31Å; L412-Y414 PolarHBondContact O-N 3Å; Y414-A417 PolarHBondContact O-N 3.31Å; Y414-H418 AromaticContact CD1-ND1 3.91Å; Y414-H418 AromaticContact CD2-CE1 3.37Å; Y414-H418 WeakPolarHBondContact CD2-CE1 3.34Å; Y414-H418 AromaticContact CD2-ND1 3.62Å; Y414-H418 AromaticContact CE1-ND1 3.91Å; Y414-H418 AromaticContact CE2-CE1 3.21Å; Y414-H418 WeakPolarHBondContact CE2-CE1 3.35Å; Y414-H418 AromaticContact CE2-ND1 3.63Å; Y414-H418 AromaticContact CE2-NE2 3.73Å; Y414-H418 AromaticContact CG-CE1 3.99Å; Y414-H418 AromaticContact CG-ND1 3.75Å; Y414-H418 AromaticContact CZ-CE1 3.72Å; Y414-H418 AromaticContact CZ-ND1 3.77Å; Y414-H418 PolarHBondContact O-N 3.11Å; Y414-H418 PolarHBondContact O-ND1 3.26Å |
| 415 | L | 85.5 | Confident | 70 | Confident | 17 Ų | 17 | 76.9 Ų | 76.9 | 9% | 0.089 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 176.9 | -68.1 | 172.6 | 0 | 0 | 0 | 112 | K313 L346 Y411 L412 A417 H418 Y421 | K313-L415 HydrophobicContact CD-CD1 4.31Å; K313-L415 VanDerWaalsContact CE-CD1 3.44Å; L346-L415 HydrophobicContact CD2-CD2 4.28Å; Y411-L415 HydrophobicContact CD2-CD1 4.46Å; Y411-L415 HydrophobicContact CD2-CG 4.4Å; Y411-L415 HydrophobicContact CE1-CD1 4.01Å; Y411-L415 HydrophobicContact CE2-CD1 3.91Å; Y411-L415 HydrophobicContact CE2-CD2 4.17Å; Y411-L415 HydrophobicContact CE2-CG 3.96Å; Y411-L415 WeakPolarHBondContact O-CG 3.22Å; Y411-L415 PolarHBondContact O-N 2.87Å; L412-L415 PolarHBondContact O-N 3.18Å; L415-A417 PolarHBondContact O-N 3.29Å; L415-H418 CarbonylContact O-C 3.56Å; L415-H418 PolarHBondContact O-N 2.85Å; L415-Y421 HydrophobicContact CD2-CD1 4.17Å; L415-Y421 HydrophobicContact CD2-CD2 3.76Å; L415-Y421 HydrophobicContact CD2-CE1 4.48Å; L415-Y421 HydrophobicContact CD2-CE2 4.11Å; L415-Y421 HydrophobicContact CD2-CG 3.81Å |
| 416 | S | 82.5 | Confident | 67.3 | Low | 50 Ų | 50 | 71.6 Ų | 71.6 | 35% | 0.35 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.5 | -22.4 | 176.5 | -60.1 | 0 | 0 | 0 | 0 | 113.8 | L412 | L412-S416 PolarHBondContact O-N 3.24Å; L412-S416 PolarHBondContact O-OG 3.3Å; L412-S416 VanDerWaalsContact O-OG 3.13Å |
| 417 | A | 79.3 | Confident | 64.5 | Low | 74 Ų | 74 | 76.2 Ų | 76.2 | 61% | 0.612 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -86.7 | -32.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T413 Y414 L415 N419 | T413-A417 WeakPolarHBondContact O-CB 3.4Å; T413-A417 PolarHBondContact O-N 3.27Å; Y414-A417 PolarHBondContact O-N 3.31Å; L415-A417 PolarHBondContact O-N 3.29Å; A417-N419 PolarHBondContact O-N 2.88Å |
| 418 | H | 72.2 | Confident | 61.6 | Low | 95 Ų | 95 | 79.1 Ų | 79.1 | 44% | 0.44 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -102.1 | 52.2 | 179.5 | -57.1 | 79.2 | 0 | 0 | 0 | 110 | Y414 L415 N420 | Y414-H418 AromaticContact CD1-ND1 3.91Å; Y414-H418 AromaticContact CD2-CE1 3.37Å; Y414-H418 WeakPolarHBondContact CD2-CE1 3.34Å; Y414-H418 AromaticContact CD2-ND1 3.62Å; Y414-H418 AromaticContact CE1-ND1 3.91Å; Y414-H418 AromaticContact CE2-CE1 3.21Å; Y414-H418 WeakPolarHBondContact CE2-CE1 3.35Å; Y414-H418 AromaticContact CE2-ND1 3.63Å; Y414-H418 AromaticContact CE2-NE2 3.73Å; Y414-H418 AromaticContact CG-CE1 3.99Å; Y414-H418 AromaticContact CG-ND1 3.75Å; Y414-H418 AromaticContact CZ-CE1 3.72Å; Y414-H418 AromaticContact CZ-ND1 3.77Å; Y414-H418 PolarHBondContact O-N 3.11Å; Y414-H418 PolarHBondContact O-ND1 3.26Å; L415-H418 CarbonylContact O-C 3.56Å; L415-H418 PolarHBondContact O-N 2.85Å; H418-N420 PolarHBondContact O-N 3.31Å |
| 419 | N | 53.5 | Low | 58.6 | Low | 56 Ų | 56 | 87.7 Ų | 87.7 | 30% | 0.299 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 33.7 | -152.2 | -151.1 | 22.3 | 0 | 0 | 0 | 116.6 | A417 | A417-N419 PolarHBondContact O-N 2.88Š|
| 420 | N | 46.5 | Very low | 55.6 | Low | 135 Ų | 135 | 89.7 Ų | 89.7 | 72% | 0.722 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -4 | 164.6 | -70.1 | 4.1 | 0 | 0 | 0 | 112 | H418 I422 | H418-N420 PolarHBondContact O-N 3.31Å; N420-I422 VanDerWaalsContact C-N 3.32Å; N420-I422 PolarHBondContact O-N 2.94Å |
| 421 | Y | 46.1 | Very low | 52.7 | Low | 82 Ų | 82 | 94.4 Ų | 94.4 | 32% | 0.322 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -76.9 | -6 | -169.8 | -105 | -79 | 0 | 0 | 0 | 116.1 | D345 L346 N349 L415 | D345-Y421 PolarHBondContact O-OH 2.86Å; L346-Y421 WeakPolarHBondContact CA-OH 3.49Å; L346-Y421 HydrophobicContact CD2-CE2 4.14Å; L346-Y421 WeakPolarHBondContact CD2-OH 3.36Å; N349-Y421 VanDerWaalsContact ND2-CE2 3.27Å; N349-Y421 WeakPolarHBondContact ND2-CE2 3.39Å; L415-Y421 HydrophobicContact CD2-CD1 4.17Å; L415-Y421 HydrophobicContact CD2-CD2 3.76Å; L415-Y421 HydrophobicContact CD2-CE1 4.48Å; L415-Y421 HydrophobicContact CD2-CE2 4.11Å; L415-Y421 HydrophobicContact CD2-CG 3.81Å |
| 422 | I | 40.7 | Very low | 49.6 | Very low | 100 Ų | 100 | 101.3 Ų | 101.3 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -124.3 | -21.2 | -175.1 | -66.8 | 175.9 | 0 | 0 | 0 | 112.6 | N420 N424 I472 | N420-I422 VanDerWaalsContact C-N 3.32Å; N420-I422 PolarHBondContact O-N 2.94Å; I422-N424 VanDerWaalsContact C-N 3.28Å; I422-N424 PolarHBondContact O-N 3.03Å; I422-I472 HydrophobicContact CD1-CD1 3.78Å |
| 423 | T | 29.3 | Very low | 46.6 | Very low | 100 Ų | 100 | 107.1 Ų | 107.1 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | trans | -86.3 | 54.8 | -175.2 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 424 | N | 30.2 | Very low | 43.7 | Very low | 143 Ų | 143 | 109.3 Ų | 109.3 | 77% | 0.765 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -149.7 | 42.4 | 172.4 | -114.2 | -18.1 | 0 | 0 | 0 | 113.9 | I422 | I422-N424 VanDerWaalsContact C-N 3.28Å; I422-N424 PolarHBondContact O-N 3.03Å |
| 425 | Q | 31.9 | Very low | 40.8 | Very low | 157 Ų | 157 | 113.2 Ų | 113.2 | 73% | 0.734 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -143.8 | 25.3 | 168.6 | -142.4 | 164.6 | 92.8 | 0 | 0 | 113.9 | ||
| 426 | S | 26.8 | Very low | 37.9 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 66% | 0.664 | 66% | 0.658 | S | S | * | * | trans | -127.6 | 44.5 | 177.9 | 62.6 | 0 | 0 | 0 | 0 | 111.3 | S428 | S426-S428 PolarHBondContact O-N 2.67Š| ||
| 427 | T | 28.7 | Very low | 35 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | trans | -72.1 | 68.8 | 170 | 51.4 | 0 | 0 | 0 | 0 | 110.6 | K429 | T427-K429 PolarHBondContact O-N 3.08Å; T427-K429 VanDerWaalsContact O-N 3.11Å | ||
| 428 | S | 23.6 | Very low | 32.5 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | trans | -77.8 | 87.6 | 171.4 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | S426 | S426-S428 PolarHBondContact O-N 2.67Š| ||
| 429 | K | 26.2 | Very low | 30.1 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | -155.2 | 132.8 | 161.6 | -108.5 | 166 | -172.9 | 177.6 | 0 | 111.5 | T427 | T427-K429 PolarHBondContact O-N 3.08Å; T427-K429 VanDerWaalsContact O-N 3.11Å | ||
| 430 | D | 25 | Very low | 28.9 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | 62.2 | 72 | 154.3 | -45.5 | -30.7 | 0 | 0 | 0 | 119 | ||||
| 431 | I | 26.9 | Very low | 27.9 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 87% | 0.867 | 73% | 0.729 | S | S | * | * | trans | -130.7 | 134 | 132.8 | -85.5 | 174.2 | 0 | 0 | 0 | 108 | ||||
| 432 | N | 26 | Very low | 27.1 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | -67.6 | 134.5 | -179.5 | -84.1 | -50.1 | 0 | 0 | 0 | 112.3 | N434 | N432-N434 PolarHBondContact O-N 3.2Š| ||
| 433 | T | 23.9 | Very low | 26.4 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | -71.5 | 101.1 | 155.7 | 49.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 434 | N | 26.4 | Very low | 26.3 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | trans | -156.5 | 121.5 | 160.7 | -100.6 | -35.1 | 0 | 0 | 0 | 111.3 | N432 | N432-N434 PolarHBondContact O-N 3.2Š| ||
| 435 | N | 25.9 | Very low | 26.1 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 66% | 0.658 | 78% | 0.776 | S | S | * | * | trans | 48.6 | 87.8 | 156.2 | -57.1 | -12.5 | 0 | 0 | 0 | 118.6 | ||||
| 436 | V | 24.8 | Very low | 25.8 | Very low | 132 Ų | 132 | 148.8 Ų | 148.8 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | -120.4 | 110 | 127.1 | 176.8 | 0 | 0 | 0 | 0 | 107.2 | I438 | V436-I438 HydrophobicContact CG1-CG1 4.22Š| |||
| 437 | F | 21.8 | Very low | 25.7 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -77.5 | 128.2 | 161.3 | -77.6 | -111.4 | 0 | 0 | 0 | 107.3 | ||||
| 438 | I | 26.1 | Very low | 25.4 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -122.4 | 118.5 | 146.6 | -66.6 | -179 | 0 | 0 | 0 | 104.8 | V436 | V436-I438 HydrophobicContact CG1-CG1 4.22Š| ||
| 439 | E | 22.3 | Very low | 25.5 | Very low | 169 Ų | 169 | 150 Ų | 150 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -74.2 | 129.4 | 170.1 | -64 | 167.2 | 133.5 | 0 | 0 | 107.8 | ||||
| 440 | D | 27.7 | Very low | 25.4 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -138.3 | 87.1 | 154.7 | -116.7 | -28.8 | 0 | 0 | 0 | 107 | F442 | D440-F442 PolarHBondContact O-N 2.86Š| ||
| 441 | D | 25.5 | Very low | 25.4 | Very low | 144 Ų | 144 | 145 Ų | 145 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -67.3 | 111.6 | 168.3 | -110 | -35 | 0 | 0 | 0 | 108.2 | ||||
| 442 | F | 28.9 | Very low | 25.3 | Very low | 210 Ų | 210 | 146.8 Ų | 146.8 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | -157.3 | 121.7 | 127.1 | -110.7 | -70.2 | 0 | 0 | 0 | 112 | D440 | D440-F442 PolarHBondContact O-N 2.86Š| |||
| 443 | A | 27.4 | Very low | 25.3 | Very low | 72 Ų | 72 | 145.8 Ų | 145.8 | 60% | 0.595 | 77% | 0.774 | S | S | * | * | trans | -95.3 | 157.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 444 | K | 25.8 | Very low | 25.3 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | 77.5 | 104.4 | 168 | -47.8 | 159.1 | -172.5 | 164.6 | 0 | 115.6 | ||||
| 445 | N | 27.4 | Very low | 25.4 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | -142.9 | 149.9 | 99.4 | -127.2 | -32.9 | 0 | 0 | 0 | 112.7 | |||||
| 446 | K | 24.5 | Very low | 25.4 | Very low | 200 Ų | 200 | 147.4 Ų | 147.4 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | -129.6 | 88.5 | -168.2 | -178.4 | -172.8 | 176.3 | -179.2 | 0 | 109.9 | ||||
| 447 | I | 25.2 | Very low | 25.3 | Very low | 145 Ų | 145 | 145.4 Ų | 145.4 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | -111.8 | 108.6 | 176.9 | -58.4 | -177.9 | 0 | 0 | 0 | 109.6 | V449 | I447-V449 HydrophobicContact CG2-CG2 4.11Š| ||
| 448 | S | 22.7 | Very low | 25.5 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -87.5 | 109.7 | 172.1 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | T450 | S448-T450 PolarHBondContact O-N 3.05Š| ||
| 449 | V | 25.4 | Very low | 25.4 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | trans | -93.9 | 82.9 | 171.5 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | I447 S451 | I447-V449 HydrophobicContact CG2-CG2 4.11Å; V449-S451 VanDerWaalsContact C-N 3.28Å; V449-S451 PolarHBondContact O-N 2.92Å | ||
| 450 | T | 23.4 | Very low | 25.5 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -81.8 | 68.6 | 175.9 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | S448 | S448-T450 PolarHBondContact O-N 3.05Š| ||
| 451 | S | 26.3 | Very low | 25.4 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -107.3 | 97.8 | -179.8 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | V449 T453 | V449-S451 VanDerWaalsContact C-N 3.28Å; V449-S451 PolarHBondContact O-N 2.92Å; S451-T453 PolarHBondContact O-N 2.82Å | ||
| 452 | K | 24.4 | Very low | 25.5 | Very low | 205 Ų | 205 | 142.9 Ų | 142.9 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -59.1 | 121.8 | -178.4 | -60.3 | 167 | -176.7 | 171.3 | 0 | 111.5 | ||||
| 453 | T | 26.2 | Very low | 25.3 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -134.8 | 118.7 | 155.7 | -64.2 | 0 | 0 | 0 | 0 | 108.4 | S451 I455 | S451-T453 PolarHBondContact O-N 2.82Å; T453-I455 PolarHBondContact O-N 3.22Å | ||
| 454 | T | 23.8 | Very low | 25.3 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -83.5 | 100.7 | -169 | -34.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 455 | I | 27 | Very low | 25.3 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -116.3 | 127.4 | 161 | -61.3 | -179.4 | 0 | 0 | 0 | 107 | T453 A457 | T453-I455 PolarHBondContact O-N 3.22Å; I455-A457 PolarHBondContact O-N 3.43Å | ||
| 456 | N | 25.9 | Very low | 25.5 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -73.6 | 89.6 | -172 | -69 | -16.5 | 0 | 0 | 0 | 111.5 | ||||
| 457 | A | 23.8 | Very low | 25.7 | Very low | 89 Ų | 89 | 134.6 Ų | 134.6 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 124.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | I455 H459 | I455-A457 PolarHBondContact O-N 3.43Å; A457-H459 PolarHBondContact O-N 3.46Å |
| 458 | L | 25.5 | Very low | 25.8 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 120.4 | 174 | -86.3 | 162 | 0 | 0 | 0 | 109.9 | C460 | L458-C460 PolarHBondContact O-N 2.79Š|
| 459 | H | 25.3 | Very low | 26.1 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 122.4 | 169.7 | -84.1 | -95.9 | 0 | 0 | 0 | 110.5 | A457 T461 | A457-H459 PolarHBondContact O-N 3.46Å; H459-T461 HydrophobicContact CB-CG2 4.5Å |
| 460 | C | 23.7 | Very low | 26.4 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -97.7 | 93.8 | 153 | -72.3 | 0 | 0 | 0 | 0 | 108.4 | L458 | L458-C460 PolarHBondContact O-N 2.79Š| ||
| 461 | T | 25.7 | Very low | 26.9 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 64% | 0.644 | 79% | 0.792 | S | S | * | * | trans | -79.9 | 114.2 | 169.2 | 46.2 | 0 | 0 | 0 | 0 | 109.4 | H459 S463 | H459-T461 HydrophobicContact CB-CG2 4.5Å; T461-S463 PolarHBondContact O-N 2.89Å | ||
| 462 | N | 26.4 | Very low | 27.4 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -56 | 113 | 176.1 | -78.5 | -14 | 0 | 0 | 0 | 110.9 | ||||
| 463 | S | 26.4 | Very low | 28.3 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | trans | -102.9 | 146.3 | 167.7 | -58 | 0 | 0 | 0 | 0 | 108.3 | T461 | T461-S463 PolarHBondContact O-N 2.89Š| ||
| 464 | S | 25.7 | Very low | 29 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -85.4 | 151.8 | -166.7 | 50 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 465 | S | 27.5 | Very low | 29.9 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 82.3 | 145.7 | 155.1 | 80.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 466 | K | 30.2 | Very low | 31.2 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 73% | 0.726 | 74% | 0.738 | S | S | * | * | trans | 75 | 89.1 | 163.5 | -59.6 | -173.5 | 179.1 | -176.2 | 0 | 118.5 | V468 | K466-V468 PolarHBondContact O-N 2.86Å; K466-V468 VanDerWaalsContact O-N 3.16Å | ||
| 467 | D | 29.1 | Very low | 32.6 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 87% | 0.872 | 71% | 0.71 | S | S | * | * | 43.4 | 62.4 | 112.9 | -44.8 | -31.3 | 0 | 0 | 0 | 117 | |||||
| 468 | V | 27.7 | Very low | 34.9 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 79% | 0.788 | 69% | 0.687 | S | S | * | * | trans | -130.5 | 135.5 | 158.9 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | K466 Q470 | K466-V468 PolarHBondContact O-N 2.86Å; K466-V468 VanDerWaalsContact O-N 3.16Å; V468-Q470 PolarHBondContact O-N 2.95Å | ||
| 469 | N | 28.8 | Very low | 37.3 | Very low | 150 Ų | 150 | 117.3 Ų | 117.3 | 80% | 0.802 | 66% | 0.658 | S | S | * | * | trans | -47.7 | 123.5 | -179.8 | -64.4 | -30.7 | 0 | 0 | 0 | 111.3 | V471 | N469-V471 VanDerWaalsContact C-N 3.29Å; N469-V471 PolarHBondContact O-N 3.26Å | ||
| 470 | Q | 31.7 | Very low | 39.6 | Very low | 185 Ų | 185 | 109.7 Ų | 109.7 | 86% | 0.864 | 62% | 0.624 | S | S | * | * | trans | -68.9 | 88.5 | 172.5 | -86.3 | -173 | -26.8 | 0 | 0 | 110.1 | V468 I472 | V468-Q470 PolarHBondContact O-N 2.95Å; Q470-I472 PolarHBondContact O-N 2.93Å; Q470-I472 VanDerWaalsContact O-N 3.1Å | ||
| 471 | V | 32.9 | Very low | 41.6 | Very low | 131 Ų | 131 | 108.7 Ų | 108.7 | 79% | 0.794 | 62% | 0.616 | S | S | * | * | trans | -63.7 | 106.5 | 159.2 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | N469 S473 | N469-V471 VanDerWaalsContact C-N 3.29Å; N469-V471 PolarHBondContact O-N 3.26Å; V471-S473 PolarHBondContact O-N 2.76Å | ||
| 472 | I | 38.6 | Very low | 43.7 | Very low | 50 Ų | 50 | 106.1 Ų | 106.1 | 26% | 0.256 | 60% | 0.602 | S | S | . | * | trans | -54.4 | 122.4 | 176 | -59.6 | 175.8 | 0 | 0 | 0 | 107.6 | I422 Q470 D476 | I422-I472 HydrophobicContact CD1-CD1 3.78Å; Q470-I472 PolarHBondContact O-N 2.93Å; Q470-I472 VanDerWaalsContact O-N 3.1Å; I472-D476 HydrophobicContact CG2-CB 3.92Å | ||
| 473 | S | 41.9 | Very low | 46.2 | Very low | 57 Ų | 57 | 103.2 Ų | 103.2 | 40% | 0.399 | 58% | 0.583 | S | S | . | * | trans | -65.1 | 147.7 | 178 | -169 | 0 | 0 | 0 | 0 | 109.2 | V471 N475 D476 | V471-S473 PolarHBondContact O-N 2.76Å; S473-N475 PolarHBondContact O-N 3.45Å; S473-D476 WeakPolarHBondContact CB-OD2 3.36Å; S473-D476 PolarHBondContact N-OD2 3.05Å; S473-D476 PolarHBondContact O-N 3.15Å | ||
| 474 | I | 41.2 | Very low | 48.6 | Very low | 139 Ų | 139 | 101.3 Ų | 101.3 | 71% | 0.713 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -58 | -23.1 | 174.4 | -74.7 | 174.4 | 0 | 0 | 0 | 111.5 | L477 | I474-L477 HydrophobicContact CB-CD1 4.43Å; I474-L477 HydrophobicContact CG2-CD1 4.12Å; I474-L477 WeakPolarHBondContact O-CB 3.47Å; I474-L477 WeakPolarHBondContact O-CD1 3.43Å; I474-L477 WeakPolarHBondContact O-CG 3.39Å |
| 475 | N | 43.6 | Very low | 51.4 | Low | 149 Ų | 149 | 96.4 Ų | 96.4 | 80% | 0.797 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -77.5 | -17 | 175.3 | -63.9 | -9.3 | 0 | 0 | 0 | 114.1 | S473 | S473-N475 PolarHBondContact O-N 3.45Š|
| 476 | D | 53.1 | Low | 54.2 | Low | 115 Ų | 115 | 92.2 Ų | 92.2 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -96.1 | 6.8 | 177.7 | -55.1 | -47.5 | 0 | 0 | 0 | 112 | I472 S473 | I472-D476 HydrophobicContact CG2-CB 3.92Å; S473-D476 WeakPolarHBondContact CB-OD2 3.36Å; S473-D476 PolarHBondContact N-OD2 3.05Å; S473-D476 PolarHBondContact O-N 3.15Å |
| 477 | L | 55.8 | Low | 56.8 | Low | 37 Ų | 37 | 90.1 Ų | 90.1 | 19% | 0.194 | 50% | 0.495 | C | S | . | . | trans | -60.4 | 131.6 | 177.6 | -81.6 | 170.3 | 0 | 0 | 0 | 110.7 | L412 I474 I479 | L412-L477 HydrophobicContact CB-CD1 4.34Å; L412-L477 HydrophobicContact CB-CD2 4.13Å; L412-L477 HydrophobicContact CD1-CD1 4.29Å; L412-L477 HydrophobicContact CD2-CD2 4.43Å; I474-L477 HydrophobicContact CB-CD1 4.43Å; I474-L477 HydrophobicContact CG2-CD1 4.12Å; I474-L477 WeakPolarHBondContact O-CB 3.47Å; I474-L477 WeakPolarHBondContact O-CD1 3.43Å; I474-L477 WeakPolarHBondContact O-CG 3.39Å; L477-I479 HydrophobicContact CB-CD1 4.33Å; L477-I479 HydrophobicContact CB-CG1 4.41Å; L477-I479 PolarHBondContact O-N 3.35Å | ||
| 478 | P | 72.8 | Confident | 59.1 | Low | 38 Ų | 38 | 83.4 Ų | 83.4 | 25% | 0.247 | 46% | 0.464 | C | S | . | . | trans | -81 | 69 | -173.1 | 34.9 | -37.7 | 0 | 0 | 0 | 110.9 | G311 W312 K313 | G311-P478 WeakPolarHBondContact O-CB 3.26Å; W312-P478 CarbonylContact C-O 3.6Å; W312-P478 WeakPolarHBondContact CA-O 3.41Å; K313-P478 PolarHBondContact N-O 2.8Å | ||
| 479 | I | 76.1 | Confident | 61.3 | Low | 56 Ų | 56 | 80.7 Ų | 80.7 | 29% | 0.287 | 44% | 0.444 | S | S | . | . | B | Isolated β-bridge | trans | -103.2 | 140.7 | 172.9 | -56.3 | 166.2 | 0 | 0 | 0 | 107.8 | V384 L412 L477 P481 | V384-I479 HydrophobicContact CB-CG2 4.09Å; V384-I479 HydrophobicContact CG2-CG2 3.82Å; L412-I479 HydrophobicContact CD1-CD1 3.69Å; L412-I479 HydrophobicContact CD1-CG1 4.08Å; L477-I479 HydrophobicContact CB-CD1 4.33Å; L477-I479 HydrophobicContact CB-CG1 4.41Å; L477-I479 PolarHBondContact O-N 3.35Å; I479-P481 VanDerWaalsContact O-CD 3.32Å; I479-P481 WeakPolarHBondContact O-CD 3.41Å; I479-P481 VanDerWaalsContact O-N 3.14Å |
| 480 | C | 73.4 | Confident | 62.9 | Low | 11 Ų | 11 | 78.5 Ų | 78.5 | 7% | 0.074 | 43% | 0.429 | C | S | . | . | trans | -60.9 | 115.3 | 170.3 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | F308 W312 K313 S482 F486 | F308-C480 HydrophobicContact CE1-CB 4.28Å; W312-C480 HydrophobicContact CD2-CB 4.33Å; W312-C480 HydrophobicContact CE3-CB 3.76Å; W312-C480 HydrophobicContact CZ3-CB 4.33Å; K313-C480 PolarHBondContact O-N 3.25Å; C480-S482 PolarHBondContact O-N 2.76Å; C480-F486 HydrophobicContact CB-CE2 3.78Å; C480-F486 HydrophobicContact CB-CZ 4.06Å; C480-F486 WeakPolarHBondContact SG-CE2 3.38Å | ||
| 481 | P | 65.2 | Low | 63.8 | Low | 102 Ų | 102 | 72.2 Ų | 72.2 | 66% | 0.662 | 41% | 0.409 | S | S | * | . | trans | -80.5 | -9.5 | -159 | 30.8 | -37 | 0 | 0 | 0 | 115.1 | W312 I479 | W312-P481 VanDerWaalsContact CH2-CD 3.49Å; W312-P481 HydrophobicContact CH2-CG 4.06Å; W312-P481 HydrophobicContact CZ2-CG 4.11Å; I479-P481 VanDerWaalsContact O-CD 3.32Å; I479-P481 WeakPolarHBondContact O-CD 3.41Å; I479-P481 VanDerWaalsContact O-N 3.14Å | ||
| 482 | S | 70.6 | Confident | 64.3 | Low | 50 Ų | 50 | 74.1 Ų | 74.1 | 35% | 0.35 | 41% | 0.407 | S | S | . | . | trans | -145.2 | 139.1 | -178.6 | 179.1 | 0 | 0 | 0 | 0 | 112.7 | C480 S484 V485 | C480-S482 PolarHBondContact O-N 2.76Å; S482-S484 PolarHBondContact O-N 2.8Å; S482-S484 WeakPolarHBondContact OG-CB 3.35Å; S482-S484 PolarHBondContact OG-N 3.38Å; S482-S484 VanDerWaalsContact OG-N 3.08Å; S482-S484 PolarHBondContact OG-OG 3.47Å; S482-V485 PolarHBondContact O-N 2.79Å | ||
| 483 | E | 77.2 | Confident | 64.3 | Low | 107 Ų | 107 | 75.3 Ų | 75.3 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.1 | 169.2 | -164.4 | -155.5 | 133.8 | 0 | 0 | 112.3 | P383 V485 F486 K487 | P383-E483 HydrophobicContact CG-CB 4.44Å; P383-E483 HydrophobicContact CG-CG 4.1Å; E483-V485 VanDerWaalsContact C-N 3.3Å; E483-V485 PolarHBondContact O-N 3.25Å; E483-F486 PolarHBondContact O-N 3.35Å; E483-K487 VanDerWaalsContact OE1-CE 3.3Å; E483-K487 WeakPolarHBondContact OE1-CE 3.5Å; E483-K487 IonicContact OE1-NZ 3.23Å; E483-K487 PolarHBondContact OE1-NZ 3.23Å |
| 484 | S | 77.8 | Confident | 64.2 | Low | 73 Ų | 73 | 75.2 Ų | 75.2 | 51% | 0.51 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -34 | 178.2 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | S482 F486 K487 G488 | S482-S484 PolarHBondContact O-N 2.8Å; S482-S484 WeakPolarHBondContact OG-CB 3.35Å; S482-S484 PolarHBondContact OG-N 3.38Å; S482-S484 VanDerWaalsContact OG-N 3.08Å; S482-S484 PolarHBondContact OG-OG 3.47Å; S484-F486 VanDerWaalsContact C-N 3.25Å; S484-F486 PolarHBondContact O-N 2.96Å; S484-K487 PolarHBondContact O-N 3.49Å; S484-G488 PolarHBondContact O-N 2.96Å |
| 485 | V | 84.5 | Confident | 64.1 | Low | 10 Ų | 10 | 71.1 Ų | 71.1 | 6% | 0.061 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -30.9 | -179.4 | -168.2 | 0 | 0 | 0 | 0 | 111.2 | E307 F308 W312 A376 S482 E483 K487 G488 | E307-V485 HydrophobicContact CB-CG1 4.11Å; F308-V485 HydrophobicContact CD1-CG1 4.45Å; F308-V485 HydrophobicContact CD2-CG1 3.81Å; F308-V485 HydrophobicContact CE1-CG1 4.43Å; F308-V485 HydrophobicContact CE2-CG1 3.79Å; F308-V485 WeakPolarHBondContact CE2-O 3.49Å; F308-V485 HydrophobicContact CG-CG1 4.14Å; F308-V485 HydrophobicContact CZ-CG1 4.11Å; W312-V485 HydrophobicContact CZ3-CG1 4.37Å; A376-V485 WeakPolarHBondContact CB-O 3.36Å; S482-V485 PolarHBondContact O-N 2.79Å; E483-V485 VanDerWaalsContact C-N 3.3Å; E483-V485 PolarHBondContact O-N 3.25Å; V485-K487 PolarHBondContact O-N 3.27Å; V485-G488 PolarHBondContact O-N 2.67Å |
| 486 | F | 86.9 | Confident | 63.9 | Low | 17 Ų | 17 | 69.1 Ų | 69.1 | 8% | 0.075 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.9 | 174.4 | -71.3 | -94.5 | 0 | 0 | 0 | 113.9 | F308 L314 G377 I381 M382 P383 C480 E483 S484 | F308-F486 HydrophobicContact CE1-CD1 4.42Å; F308-F486 HydrophobicContact CE1-CE1 4.07Å; F308-F486 HydrophobicContact CE1-CE2 4.23Å; F308-F486 AromaticContact CE1-CZ 3.97Å; F308-F486 HydrophobicContact CE1-CZ 3.97Å; F308-F486 AromaticContact CZ-CD1 3.82Å; F308-F486 HydrophobicContact CZ-CD1 3.82Å; F308-F486 HydrophobicContact CZ-CD2 4.18Å; F308-F486 AromaticContact CZ-CE1 3.92Å; F308-F486 HydrophobicContact CZ-CE1 3.92Å; F308-F486 HydrophobicContact CZ-CE2 4.3Å; F308-F486 AromaticContact CZ-CG 3.95Å; F308-F486 HydrophobicContact CZ-CG 3.95Å; F308-F486 HydrophobicContact CZ-CZ 4.16Å; L314-F486 HydrophobicContact CB-CE1 4.01Å; L314-F486 HydrophobicContact CB-CZ 3.77Å; L314-F486 HydrophobicContact CD2-CE1 4.36Å; G377-F486 WeakPolarHBondContact CA-O 3.42Å; G377-F486 PolarHBondContact N-O 2.93Å; I381-F486 HydrophobicContact CB-CE1 4.4Å; I381-F486 HydrophobicContact CD1-CD1 4.12Å; I381-F486 HydrophobicContact CD1-CE1 4.39Å; I381-F486 HydrophobicContact CG1-CD1 4.19Å; I381-F486 HydrophobicContact CG1-CE1 4.49Å; M382-F486 WeakPolarHBondContact O-CE1 3.17Å; M382-F486 WeakPolarHBondContact O-CZ 3.37Å; P383-F486 HydrophobicContact CB-CE2 4.09Å; P383-F486 HydrophobicContact CB-CZ 4.44Å; P383-F486 HydrophobicContact CG-CD2 3.72Å; P383-F486 HydrophobicContact CG-CE2 3.77Å; P383-F486 HydrophobicContact CG-CG 4.15Å; P383-F486 HydrophobicContact CG-CZ 4.27Å; C480-F486 HydrophobicContact CB-CE2 3.78Å; C480-F486 HydrophobicContact CB-CZ 4.06Å; C480-F486 WeakPolarHBondContact SG-CE2 3.38Å; E483-F486 PolarHBondContact O-N 3.35Å; S484-F486 VanDerWaalsContact C-N 3.25Å; S484-F486 PolarHBondContact O-N 2.96Å |
| 487 | K | 83.3 | Confident | 63.1 | Low | 122 Ų | 122 | 71.9 Ų | 71.9 | 53% | 0.53 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -32.1 | 173.5 | -66 | 166.7 | -171.5 | 162.4 | 0 | 111.7 | E483 S484 V485 | E483-K487 VanDerWaalsContact OE1-CE 3.3Å; E483-K487 WeakPolarHBondContact OE1-CE 3.5Å; E483-K487 IonicContact OE1-NZ 3.23Å; E483-K487 PolarHBondContact OE1-NZ 3.23Å; S484-K487 PolarHBondContact O-N 3.49Å; V485-K487 PolarHBondContact O-N 3.27Å |
| 488 | G | 77.2 | Confident | 62.2 | Low | 22 Ų | 22 | 76.6 Ų | 76.6 | 23% | 0.227 | 42% | 0.417 | C | S | . | . | trans | 71.8 | -170.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L305 S484 V485 | L305-G488 CarbonylContact O-C 3.58Å; L305-G488 WeakPolarHBondContact O-CA 3.3Å; S484-G488 PolarHBondContact O-N 2.96Å; V485-G488 PolarHBondContact O-N 2.67Å | ||
| 489 | I | 74.2 | Confident | 60.5 | Low | 73 Ų | 73 | 82.3 Ų | 82.3 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -125.5 | 122.7 | -178.6 | -54.6 | 174.4 | 0 | 0 | 0 | 108.3 | L305 S494 | L305-I489 HydrophobicContact CB-CB 4.39Å; L305-I489 WeakPolarHBondContact CB-O 3.48Å; L305-I489 PolarHBondContact N-O 2.78Å; L305-I489 PolarHBondContact O-N 2.69Å; I489-S494 WeakPolarHBondContact CG2-OG 3.38Å |
| 490 | H | 62.7 | Low | 58.6 | Low | 105 Ų | 105 | 86.8 Ų | 86.8 | 49% | 0.486 | 47% | 0.465 | S | S | . | . | trans | -72.5 | 137 | 171 | -70.9 | -83.7 | 0 | 0 | 0 | 109.5 | F492 D493 | H490-F492 PolarHBondContact O-N 2.89Å; H490-F492 VanDerWaalsContact O-N 3.11Å; H490-D493 PolarHBondContact O-N 3.47Å | ||
| 491 | A | 51 | Low | 56.5 | Low | 52 Ų | 52 | 89.7 Ų | 89.7 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.5 | -33.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L305 D493 S494 | L305-A491 HydrophobicContact CD1-CB 4.38Å; A491-D493 PolarHBondContact O-N 3.35Å; A491-S494 WeakPolarHBondContact O-CB 3.5Å; A491-S494 PolarHBondContact O-N 2.83Å |
| 492 | F | 42.9 | Very low | 54.9 | Low | 172 Ų | 172 | 90.2 Ų | 90.2 | 75% | 0.754 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.1 | -38.3 | 176.4 | -115.4 | -89.8 | 0 | 0 | 0 | 113.7 | H490 S494 A495 | H490-F492 PolarHBondContact O-N 2.89Å; H490-F492 VanDerWaalsContact O-N 3.11Å; F492-S494 PolarHBondContact O-N 3.05Å; F492-A495 PolarHBondContact O-N 3.31Å |
| 493 | D | 39.1 | Very low | 52.9 | Low | 74 Ų | 74 | 96.2 Ų | 96.2 | 40% | 0.396 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.2 | -15.6 | 177.7 | -68.1 | -37.4 | 0 | 0 | 0 | 113.1 | H490 A491 | H490-D493 PolarHBondContact O-N 3.47Å; A491-D493 PolarHBondContact O-N 3.35Å |
| 494 | S | 40.3 | Very low | 50.7 | Low | 55 Ų | 55 | 96.8 Ų | 96.8 | 39% | 0.385 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -85.8 | -35.2 | 179.9 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | I489 A491 F492 K497 | I489-S494 WeakPolarHBondContact CG2-OG 3.38Å; A491-S494 WeakPolarHBondContact O-CB 3.5Å; A491-S494 PolarHBondContact O-N 2.83Å; F492-S494 PolarHBondContact O-N 3.05Å; S494-K497 PolarHBondContact O-N 3.31Å |
| 495 | A | 39.3 | Very low | 48.3 | Very low | 54 Ų | 54 | 98.4 Ų | 98.4 | 45% | 0.446 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.1 | -52.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | F492 K497 L498 | F492-A495 PolarHBondContact O-N 3.31Å; A495-K497 PolarHBondContact O-N 3.47Å; A495-L498 PolarHBondContact O-N 3.38Å |
| 496 | Q | 39.3 | Very low | 45.5 | Very low | 106 Ų | 106 | 103 Ų | 103 | 50% | 0.495 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -14.8 | -178.1 | -68.3 | -170.6 | -19.3 | 0 | 0 | 114.4 | N500 | Q496-N500 PolarHBondContact O-ND2 3.38Å; Q496-N500 VanDerWaalsContact O-ND2 3.11Å |
| 497 | K | 35.4 | Very low | 42.8 | Very low | 174 Ų | 174 | 111.7 Ų | 111.7 | 76% | 0.757 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -19.9 | 174.2 | -85.1 | 177.3 | 178.1 | 164.1 | 0 | 114.3 | S494 A495 | S494-K497 PolarHBondContact O-N 3.31Å; A495-K497 PolarHBondContact O-N 3.47Å |
| 498 | L | 37.4 | Very low | 40 | Very low | 135 Ų | 135 | 113.9 Ų | 113.9 | 71% | 0.707 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -38.5 | -178.2 | -153.6 | 70.4 | 0 | 0 | 0 | 111.9 | A495 N500 S501 | A495-L498 PolarHBondContact O-N 3.38Å; L498-N500 PolarHBondContact O-N 3.17Å; L498-S501 PolarHBondContact O-N 3.37Å; L498-S501 PolarHBondContact O-OG 2.87Å; L498-S501 VanDerWaalsContact O-OG 3.1Å |
| 499 | E | 36.7 | Very low | 37.6 | Very low | 158 Ų | 158 | 119.3 Ų | 119.3 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -19.4 | -175.8 | -63.6 | 177.7 | 146.3 | 0 | 0 | 114 | S501 | E499-S501 PolarHBondContact O-N 2.89Å; E499-S501 VanDerWaalsContact O-N 3.13Å |
| 500 | N | 36.8 | Very low | 35.2 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 80% | 0.802 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 19.1 | 174.8 | -80.3 | -74.6 | 0 | 0 | 0 | 113.7 | Q496 L498 | Q496-N500 PolarHBondContact O-ND2 3.38Å; Q496-N500 VanDerWaalsContact O-ND2 3.11Å; L498-N500 PolarHBondContact O-N 3.17Å |
| 501 | S | 28.3 | Very low | 33.4 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 51% | 0.51 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -143 | 136.6 | 174.3 | 65.4 | 0 | 0 | 0 | 0 | 113.5 | L498 E499 | L498-S501 PolarHBondContact O-N 3.37Å; L498-S501 PolarHBondContact O-OG 2.87Å; L498-S501 VanDerWaalsContact O-OG 3.1Å; E499-S501 PolarHBondContact O-N 2.89Å; E499-S501 VanDerWaalsContact O-N 3.13Å |
| 502 | S | 31.1 | Very low | 32.1 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | trans | 63.5 | 98.3 | 178.7 | 53.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 503 | N | 28.9 | Very low | 31.3 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 95% | 0.947 | 72% | 0.718 | S | S | * | * | trans | -73.4 | 116.9 | 151 | -80.1 | -22.3 | 0 | 0 | 0 | 110.2 | ||||
| 504 | S | 31.5 | Very low | 30.6 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | -161.8 | 146.6 | 152.3 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 505 | S | 27.4 | Very low | 29.8 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -88.4 | 157.4 | -162.8 | 55.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 506 | S | 26.9 | Very low | 29.2 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | 59.1 | 109.7 | 148.4 | 61.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 507 | E | 28.5 | Very low | 28.7 | Very low | 200 Ų | 200 | 143.8 Ų | 143.8 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | -151.4 | 178.7 | 110 | -116.8 | 170.2 | -163.1 | 0 | 0 | 111 | |||||
| 508 | Q | 25.5 | Very low | 28.2 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -110.6 | 159.5 | -157.3 | -63.5 | -177 | -15.4 | 0 | 0 | 115.4 | ||||
| 509 | N | 27.4 | Very low | 27.5 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 69.6 | 108 | 160.9 | -52.2 | -46.2 | 0 | 0 | 0 | 118 | ||||
| 510 | F | 23.9 | Very low | 26.9 | Very low | 204 Ų | 204 | 145 Ų | 145 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | 177.2 | 78.5 | 120.2 | -109.2 | -79.9 | 0 | 0 | 0 | 111 | |||||
| 511 | S | 24 | Very low | 26.4 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -163 | 91.6 | 170.5 | -87 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 512 | S | 24.1 | Very low | 26.2 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -121.9 | 7.8 | 176.7 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 513 | L | 24.8 | Very low | 25.9 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -104.3 | -2.9 | -174.1 | -68.6 | 174.7 | 0 | 0 | 0 | 115.1 | ||
| 514 | Y | 25.7 | Very low | 25.7 | Very low | 227 Ų | 227 | 150 Ų | 150 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -117.4 | 47.3 | 175.9 | -67.9 | -72.2 | 0 | 0 | 0 | 112.9 | ||||
| 515 | S | 23.4 | Very low | 25.5 | Very low | 111 Ų | 111 | 152 Ų | 152 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -105.1 | 75.1 | 166.7 | -162.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 516 | S | 27.3 | Very low | 25.6 | Very low | 83 Ų | 83 | 153.6 Ų | 153.6 | 58% | 0.58 | 81% | 0.811 | S | S | * | * | trans | -82.1 | 122.9 | 155.4 | -171.3 | 0 | 0 | 0 | 0 | 107.1 | G518 | S516-G518 PolarHBondContact O-N 3.19Š| ||
| 517 | K | 27.1 | Very low | 25.7 | Very low | 189 Ų | 189 | 153.9 Ų | 153.9 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -54.8 | 133.4 | 167.2 | -60.8 | 178.7 | -178.2 | -178.7 | 0 | 107.4 | ||||
| 518 | G | 25.2 | Very low | 25.7 | Very low | 64 Ų | 64 | 153.8 Ų | 153.8 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | cis | 113.3 | 51 | 21.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | S516 | S516-G518 PolarHBondContact O-N 3.19Š| ||
| 519 | W | 24.2 | Very low | 25.9 | Very low | 241 Ų | 241 | 149.8 Ų | 149.8 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | trans | -70.4 | 125.9 | 160.5 | -74.6 | 60.2 | 0 | 0 | 0 | 106.3 | T521 | W519-T521 VanDerWaalsContact C-N 3.32Å; W519-T521 PolarHBondContact O-N 3.42Å | ||
| 520 | Q | 23 | Very low | 26.1 | Very low | 188 Ų | 188 | 146 Ų | 146 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | trans | -75.1 | 86.9 | 178.1 | -70.8 | 177.6 | -74.2 | 0 | 0 | 109.8 | ||||
| 521 | T | 25.4 | Very low | 26.4 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | -79.6 | 109 | 158.4 | 49.8 | 0 | 0 | 0 | 0 | 107.7 | W519 E523 | W519-T521 VanDerWaalsContact C-N 3.32Å; W519-T521 PolarHBondContact O-N 3.42Å; T521-E523 PolarHBondContact O-N 3.15Å | ||
| 522 | N | 24.8 | Very low | 27 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | trans | -62.1 | 127.9 | 176.8 | -73.3 | -20.6 | 0 | 0 | 0 | 110.1 | N524 | N522-N524 PolarHBondContact O-N 3.18Š| ||
| 523 | E | 24.6 | Very low | 27.6 | Very low | 187 Ų | 187 | 139.5 Ų | 139.5 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -73.3 | 93.6 | 178.5 | -63.2 | 178.9 | 139.2 | 0 | 0 | 110.2 | T521 | T521-E523 PolarHBondContact O-N 3.15Š|
| 524 | N | 25.3 | Very low | 28.2 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 85% | 0.845 | 70% | 0.697 | S | S | * | * | trans | -171.2 | 71.4 | 159 | -95.4 | -37.2 | 0 | 0 | 0 | 111.1 | N522 | N522-N524 PolarHBondContact O-N 3.18Š| ||
| 525 | D | 27.2 | Very low | 28.8 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 86% | 0.861 | 68% | 0.68 | S | S | * | * | trans | -169.3 | 122.3 | 140.9 | -113.7 | -30 | 0 | 0 | 0 | 111.4 | ||||
| 526 | V | 28.8 | Very low | 29.6 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 85% | 0.848 | 65% | 0.65 | S | S | * | * | trans | -130.8 | 93.5 | 172.8 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 527 | N | 29 | Very low | 30.8 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 60% | 0.599 | 64% | 0.641 | S | S | * | * | trans | -140.7 | 115.4 | 169.6 | -151.1 | -31.2 | 0 | 0 | 0 | 110.7 | K529 | N527-K529 PolarHBondContact O-N 3.34Š| ||
| 528 | Y | 29.2 | Very low | 32.6 | Very low | 199 Ų | 199 | 120.7 Ų | 120.7 | 78% | 0.78 | 63% | 0.625 | S | S | * | * | trans | -80.6 | 90.2 | -165.7 | -139.4 | -79.7 | 0 | 0 | 0 | 111 | ||||
| 529 | K | 29.1 | Very low | 35.2 | Very low | 84 Ų | 84 | 122.2 Ų | 122.2 | 37% | 0.365 | 61% | 0.611 | S | S | . | * | trans | -125.3 | 127.9 | 174.8 | -103.5 | 132.4 | -170.5 | 155.8 | 0 | 112.2 | N527 D531 F945 T947 | N527-K529 PolarHBondContact O-N 3.34Å; K529-D531 PolarHBondContact O-N 2.84Å; K529-F945 WeakPolarHBondContact CG-O 3.22Å; K529-T947 VanDerWaalsContact NZ-CG2 3.31Å; K529-T947 PolarHBondContact NZ-OG1 2.75Å | ||
| 530 | S | 31.3 | Very low | 38.4 | Very low | 55 Ų | 55 | 111.2 Ų | 111.2 | 39% | 0.385 | 57% | 0.57 | S | S | . | * | trans | -71.8 | 111.7 | 175.7 | 63 | 0 | 0 | 0 | 0 | 109.5 | R532 S944 | S530-R532 PolarHBondContact O-N 3.03Å; S530-R532 PolarHBondContact OG-NE 3.24Å; S530-R532 VanDerWaalsContact OG-NE 3.09Å; S530-S944 PolarHBondContact O-OG 3.26Å | ||
| 531 | D | 31.1 | Very low | 41.5 | Very low | 124 Ų | 124 | 105 Ų | 105 | 66% | 0.663 | 54% | 0.542 | S | S | * | . | trans | -47.4 | 125.5 | 143.5 | -83.7 | -79.7 | 0 | 0 | 0 | 108.3 | K529 N533 | K529-D531 PolarHBondContact O-N 2.84Å; D531-N533 PolarHBondContact OD1-ND2 2.91Å | ||
| 532 | R | 37.4 | Very low | 44.6 | Very low | 138 Ų | 138 | 102.7 Ų | 102.7 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | trans | -107 | -3.2 | 165.4 | -60.4 | -179.3 | -179.1 | -136.1 | -5.9 | 110.5 | S530 E534 A535 D943 | S530-R532 PolarHBondContact O-N 3.03Å; S530-R532 PolarHBondContact OG-NE 3.24Å; S530-R532 VanDerWaalsContact OG-NE 3.09Å; R532-E534 PolarHBondContact O-N 3.03Å; R532-A535 WeakPolarHBondContact O-CB 3.42Å; R532-A535 PolarHBondContact O-N 2.87Å; R532-D943 CarbonylContact C-O 3.28Å; R532-D943 VanDerWaalsContact C-O 3.25Å; R532-D943 WeakPolarHBondContact CA-O 3.43Å; R532-D943 VanDerWaalsContact CB-OD1 3.22Å; R532-D943 WeakPolarHBondContact CB-OD1 3.46Å; R532-D943 PolarHBondContact N-O 2.71Å; R532-D943 VanDerWaalsContact N-O 3.12Å; R532-D943 VanDerWaalsContact O-OD2 3.11Å | ||
| 533 | N | 35.7 | Very low | 47.7 | Very low | 39 Ų | 39 | 95.7 Ų | 95.7 | 21% | 0.209 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -34.7 | -163.2 | -81.7 | -57 | 0 | 0 | 0 | 114.7 | D531 T942 D943 S944 | D531-N533 PolarHBondContact OD1-ND2 2.91Å; N533-T942 HydrophobicContact CB-CG2 4.28Å; N533-T942 WeakPolarHBondContact O-CA 3.46Å; N533-T942 PolarHBondContact O-N 3.49Å; N533-T942 WeakPolarHBondContact OD1-CA 3.33Å; N533-T942 WeakPolarHBondContact OD1-CB 3.36Å; N533-D943 WeakPolarHBondContact CA-O 3.29Å; N533-D943 PolarHBondContact N-O 2.77Å; N533-D943 PolarHBondContact ND2-O 2.9Å; N533-D943 WeakPolarHBondContact OD1-CA 3.5Å; N533-D943 PolarHBondContact OD1-N 3.39Å; N533-D943 PolarHBondContact OD1-O 3.03Å; N533-D943 VanDerWaalsContact OD1-O 3.06Å; N533-S944 PolarHBondContact ND2-O 3.03Å |
| 534 | E | 37.4 | Very low | 51 | Low | 135 Ų | 135 | 87.4 Ų | 87.4 | 63% | 0.631 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -2.5 | -172.1 | -53.8 | -169.4 | 130.6 | 0 | 0 | 113.9 | R532 N536 S537 N538 | R532-E534 PolarHBondContact O-N 3.03Å; E534-N536 PolarHBondContact O-N 2.89Å; E534-S537 PolarHBondContact O-N 2.88Å; E534-N538 PolarHBondContact O-N 3.03Å |
| 535 | A | 39.3 | Very low | 54.3 | Low | 64 Ų | 64 | 79.9 Ų | 79.9 | 53% | 0.529 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -3.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R532 R539 | R532-A535 WeakPolarHBondContact O-CB 3.42Å; R532-A535 PolarHBondContact O-N 2.87Å; A535-R539 VanDerWaalsContact O-CD 3.3Å; A535-R539 WeakPolarHBondContact O-CD 3.48Å |
| 536 | N | 40 | Very low | 57.7 | Low | 25 Ų | 25 | 72.2 Ų | 72.2 | 13% | 0.134 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -30.7 | 174.1 | -102.6 | -2.5 | 0 | 0 | 0 | 114.5 | E534 R539 N936 R939 A940 | E534-N536 PolarHBondContact O-N 2.89Å; N536-R539 VanDerWaalsContact OD1-CZ 3.31Å; N536-R539 PolarHBondContact OD1-NE 2.75Å; N536-R539 PolarHBondContact OD1-NH2 2.89Å; N536-N936 VanDerWaalsContact ND2-C 3.33Å; N536-N936 WeakPolarHBondContact ND2-CB 3.43Å; N536-N936 PolarHBondContact ND2-O 2.92Å; N536-N936 PolarHBondContact OD1-O 2.91Å; N536-R939 PolarHBondContact ND2-O 2.99Å; N536-R939 VanDerWaalsContact ND2-O 3.08Å; N536-A940 HydrophobicContact CB-CB 3.61Å |
| 537 | S | 51.3 | Low | 60.9 | Low | 57 Ų | 57 | 65.5 Ų | 65.5 | 40% | 0.399 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -25.4 | -179.8 | -150.7 | 0 | 0 | 0 | 0 | 111.7 | N23 E534 | N23-S537 PolarHBondContact ND2-O 2.86Å; E534-S537 PolarHBondContact O-N 2.88Å |
| 538 | N | 66 | Low | 64.1 | Low | 92 Ų | 92 | 60.3 Ų | 60.3 | 49% | 0.492 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 29.2 | -178.1 | -65.5 | -25.5 | 0 | 0 | 0 | 113.5 | N23 E534 | N23-N538 PolarHBondContact ND2-OD1 3.34Å; E534-N538 PolarHBondContact O-N 3.03Å |
| 539 | R | 80 | Confident | 67.1 | Low | 96 Ų | 96 | 51.8 Ų | 51.8 | 36% | 0.362 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -140.6 | 146.3 | 174.3 | 68.4 | -179.9 | -176.2 | 84.5 | 5.2 | 113.7 | L24 A535 N536 L541 N936 | L24-R539 VanDerWaalsContact CD2-N 3.33Å; A535-R539 VanDerWaalsContact O-CD 3.3Å; A535-R539 WeakPolarHBondContact O-CD 3.48Å; N536-R539 VanDerWaalsContact OD1-CZ 3.31Å; N536-R539 PolarHBondContact OD1-NE 2.75Å; N536-R539 PolarHBondContact OD1-NH2 2.89Å; R539-L541 HydrophobicContact CG-CD2 4.38Å; R539-L541 VanDerWaalsContact CZ-CD2 3.47Å; R539-N936 PolarHBondContact NH2-O 3.33Å |
| 540 | F | 89.9 | Confident | 70 | Confident | 11 Ų | 11 | 48 Ų | 48 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | trans | -61.6 | 145.5 | 169.5 | -69.2 | -86.5 | 0 | 0 | 0 | 111.3 | L24 F25 L546 V572 V575 L581 A611 | L24-F540 HydrophobicContact CB-CD2 4.42Å; L24-F540 HydrophobicContact CB-CE1 4.08Å; L24-F540 HydrophobicContact CB-CE2 3.79Å; L24-F540 HydrophobicContact CB-CZ 3.62Å; L24-F540 HydrophobicContact CD1-CB 4.33Å; L24-F540 HydrophobicContact CD1-CD1 3.61Å; L24-F540 HydrophobicContact CD1-CD2 4Å; L24-F540 HydrophobicContact CD1-CE1 3.81Å; L24-F540 HydrophobicContact CD1-CE2 4.16Å; L24-F540 HydrophobicContact CD1-CG 3.73Å; L24-F540 HydrophobicContact CD1-CZ 4.08Å; F25-F540 HydrophobicContact CD1-CZ 4.46Å; F25-F540 HydrophobicContact CE1-CE1 4.12Å; F25-F540 AromaticContact CE1-CZ 3.9Å; F25-F540 HydrophobicContact CE1-CZ 3.9Å; F25-F540 HydrophobicContact CE2-CE1 4.43Å; F25-F540 AromaticContact CZ-CE1 3.77Å; F25-F540 HydrophobicContact CZ-CE1 3.77Å; F25-F540 AromaticContact CZ-CZ 3.93Å; F25-F540 HydrophobicContact CZ-CZ 3.93Å; F540-L546 HydrophobicContact CD1-CD2 4.34Å; F540-L546 HydrophobicContact CE1-CD2 3.73Å; F540-V572 HydrophobicContact CB-CG1 4.45Å; F540-V572 HydrophobicContact CB-CG2 4.32Å; F540-V572 HydrophobicContact CD1-CG2 3.85Å; F540-V572 HydrophobicContact CG-CG2 4.42Å; F540-V575 HydrophobicContact CB-CG2 3.81Å; F540-L581 HydrophobicContact CB-CD2 4.03Å; F540-L581 HydrophobicContact CD1-CD1 4.32Å; F540-L581 HydrophobicContact CD2-CD1 3.89Å; F540-L581 HydrophobicContact CD2-CD2 4.01Å; F540-L581 HydrophobicContact CE1-CD1 4.35Å; F540-L581 HydrophobicContact CE2-CD1 3.95Å; F540-L581 HydrophobicContact CG-CD1 4.09Å; F540-L581 HydrophobicContact CG-CD2 4.07Å; F540-L581 HydrophobicContact CZ-CD1 4.17Å; F540-A611 HydrophobicContact CD2-CB 4.01Å; F540-A611 HydrophobicContact CE2-CB 3.81Å | ||
| 541 | L | 89.5 | Confident | 72.6 | Confident | 57 Ų | 57 | 46.5 Ų | 46.5 | 30% | 0.298 | 24% | 0.242 | S | C | . | . | trans | -116.5 | 159.8 | 173.5 | -54.7 | -173.4 | 0 | 0 | 0 | 110.6 | R539 M544 V572 | R539-L541 HydrophobicContact CG-CD2 4.38Å; R539-L541 VanDerWaalsContact CZ-CD2 3.47Å; L541-M544 HydrophobicContact CB-CE 3.91Å; L541-M544 HydrophobicContact CB-CG 4.07Å; L541-M544 HydrophobicContact CB-SD 3.79Å; L541-M544 HydrophobicContact CD1-CE 3.83Å; L541-M544 HydrophobicContact CG-CE 3.69Å; L541-M544 HydrophobicContact CG-SD 4.06Å; L541-M544 PolarHBondContact N-SD 2.94Å; L541-M544 PolarHBondContact O-N 3.13Å; L541-V572 VanDerWaalsContact O-CB 3.3Å; L541-V572 WeakPolarHBondContact O-CB 3.23Å; L541-V572 VanDerWaalsContact O-CG1 3.23Å; L541-V572 WeakPolarHBondContact O-CG1 3.45Å | ||
| 542 | L | 89.7 | Confident | 74.9 | Confident | 73 Ų | 73 | 44.3 Ų | 44.3 | 38% | 0.382 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 138.1 | 173.5 | -53 | -177.4 | 0 | 0 | 0 | 109.9 | M544 E851 | L542-M544 VanDerWaalsContact C-N 3.33Å; L542-E851 HydrophobicContact CD1-CG 4.12Å |
| 543 | G | 90.5 | Very high | 76.7 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -16 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K545 T571 V572 Q845 | G543-K545 PolarHBondContact O-N 3.48Å; G543-T571 WeakPolarHBondContact O-CG2 3.47Å; G543-V572 PolarHBondContact N-O 2.62Å; G543-Q845 PolarHBondContact O-NE2 3.4Å; G543-Q845 PolarHBondContact O-OE1 3.11Å |
| 544 | M | 93.5 | Very high | 78.6 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 6% | 0.064 | 22% | 0.219 | C | C | . | . | trans | -62.1 | 130 | 178.7 | -75.3 | -178.8 | 161.5 | 0 | 0 | 112.4 | E18 P21 L24 L541 L542 T571 V572 | E18-M544 CarbonylContact O-C 3.59Å; E18-M544 WeakPolarHBondContact O-CA 3.39Å; P21-M544 HydrophobicContact CG-CE 4.14Å; L24-M544 HydrophobicContact CD1-SD 4.44Å; L541-M544 HydrophobicContact CB-CE 3.91Å; L541-M544 HydrophobicContact CB-CG 4.07Å; L541-M544 HydrophobicContact CB-SD 3.79Å; L541-M544 HydrophobicContact CD1-CE 3.83Å; L541-M544 HydrophobicContact CG-CE 3.69Å; L541-M544 HydrophobicContact CG-SD 4.06Å; L541-M544 PolarHBondContact N-SD 2.94Å; L541-M544 PolarHBondContact O-N 3.13Å; L542-M544 VanDerWaalsContact C-N 3.33Å; M544-T571 WeakPolarHBondContact O-CA 3.49Å; M544-T571 WeakPolarHBondContact O-CG2 3.49Å; M544-V572 HydrophobicContact CB-CG2 4.24Å; M544-V572 PolarHBondContact O-N 3.47Å | ||
| 545 | K | 95.3 | Very high | 80.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 149.6 | 170.9 | -74.4 | -82 | 170.4 | 172.1 | 0 | 111.1 | W8 Y11 L12 A17 E18 S20 G543 A570 T571 D586 V619 E841 | W8-K545 HydrophobicContact CH2-CB 4.07Å; W8-K545 HydrophobicContact CH2-CD 4.31Å; W8-K545 HydrophobicContact CZ3-CB 3.97Å; W8-K545 HydrophobicContact CZ3-CD 4.2Å; W8-K545 HydrophobicContact CZ3-CG 4.23Å; Y11-K545 HydrophobicContact CE1-CD 4.11Å; Y11-K545 PolarHBondContact OH-NZ 3.39Å; L12-K545 HydrophobicContact CD2-CG 4.45Å; A17-K545 HydrophobicContact CB-CG 3.72Å; E18-K545 PolarHBondContact O-N 3.13Å; S20-K545 VanDerWaalsContact CB-O 3.31Å; S20-K545 WeakPolarHBondContact CB-O 3.37Å; S20-K545 PolarHBondContact N-O 3.05Å; S20-K545 PolarHBondContact OG-O 2.82Å; G543-K545 PolarHBondContact O-N 3.48Å; K545-A570 CarbonylContact C-O 3.49Å; K545-A570 WeakPolarHBondContact CA-O 3.36Å; K545-T571 WeakPolarHBondContact CD-OG1 3.31Å; K545-T571 WeakPolarHBondContact CE-OG1 3.4Å; K545-T571 PolarHBondContact NZ-OG1 3.21Å; K545-T571 VanDerWaalsContact NZ-OG1 3.1Å; K545-D586 IonicContact NZ-OD1 3.78Å; K545-D586 PolarHBondContact NZ-OD1 3.1Å; K545-D586 IonicContact NZ-OD2 2.67Å; K545-D586 PolarHBondContact NZ-OD2 3.43Å; K545-V619 HydrophobicContact CB-CG2 4.11Å; K545-E841 WeakPolarHBondContact CE-OE1 3.41Å; K545-E841 WeakPolarHBondContact CE-OE2 3.44Å; K545-E841 VanDerWaalsContact NZ-CD 3.27Å; K545-E841 IonicContact NZ-OE1 3.71Å; K545-E841 PolarHBondContact NZ-OE1 3.14Å; K545-E841 IonicContact NZ-OE2 3.6Å; K545-E841 PolarHBondContact NZ-OE2 3.4Å |
| 546 | L | 97.1 | Very high | 82 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 174.5 | 171.3 | 57.4 | 80.6 | 0 | 0 | 0 | 110.2 | F25 F540 M548 T569 A570 V572 L583 L616 Y617 | F25-L546 HydrophobicContact CE1-CB 4.35Å; F25-L546 HydrophobicContact CE1-CD2 4.34Å; F25-L546 HydrophobicContact CZ-CB 3.9Å; F25-L546 HydrophobicContact CZ-CD2 4.29Å; F540-L546 HydrophobicContact CD1-CD2 4.34Å; F540-L546 HydrophobicContact CE1-CD2 3.73Å; L546-M548 HydrophobicContact CD1-CB 3.88Å; L546-M548 HydrophobicContact CD1-CG 4.33Å; L546-T569 CarbonylContact O-C 3.57Å; L546-T569 WeakPolarHBondContact O-CA 3.41Å; L546-A570 HydrophobicContact CD1-CB 3.98Å; L546-A570 PolarHBondContact N-O 3.06Å; L546-A570 PolarHBondContact O-N 3.07Å; L546-V572 HydrophobicContact CD2-CG2 4.26Å; L546-L583 HydrophobicContact CD1-CD1 4.12Å; L546-L583 HydrophobicContact CD2-CD1 4.35Å; L546-L583 HydrophobicContact CD2-CD2 3.93Å; L546-L616 HydrophobicContact CD1-CD2 4.29Å; L546-Y617 WeakPolarHBondContact CB-O 3.39Å |
| 547 | E | 96.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 144.7 | 169.2 | -67.2 | 175.8 | -169.4 | 0 | 0 | 109.4 | W8 L567 C568 Y617 G620 S622 L629 | W8-E547 HydrophobicContact CZ2-CG 3.68Å; W8-E547 PolarHBondContact NE1-OE1 2.87Å; E547-L567 HydrophobicContact CB-CD1 4.18Å; E547-C568 CarbonylContact C-O 3.2Å; E547-C568 WeakPolarHBondContact CA-O 3.42Å; E547-Y617 PolarHBondContact N-O 3.37Å; E547-Y617 PolarHBondContact O-N 2.73Å; E547-Y617 VanDerWaalsContact O-O 3.13Å; E547-G620 WeakPolarHBondContact OE1-CA 3.49Å; E547-G620 PolarHBondContact OE1-N 2.84Å; E547-S622 PolarHBondContact OE1-OG 3.49Å; E547-S622 WeakPolarHBondContact OE2-CB 3.38Å; E547-S622 PolarHBondContact OE2-N 2.93Å; E547-S622 PolarHBondContact OE2-OG 3.49Å; E547-L629 HydrophobicContact CG-CD1 3.99Å |
| 548 | M | 95.5 | Very high | 84.4 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 164.3 | 177.9 | 71.7 | 170.1 | -69.2 | 0 | 0 | 114.4 | L546 P550 L567 C568 A570 L583 I607 N615 L616 | L546-M548 HydrophobicContact CD1-CB 3.88Å; L546-M548 HydrophobicContact CD1-CG 4.33Å; M548-P550 WeakPolarHBondContact O-CD 3.42Å; M548-L567 CarbonylContact O-C 3.53Å; M548-L567 VanDerWaalsContact O-CA 3.23Å; M548-L567 WeakPolarHBondContact O-CA 3.47Å; M548-C568 PolarHBondContact N-O 3.01Å; M548-C568 PolarHBondContact O-N 2.91Å; M548-A570 HydrophobicContact CG-CB 3.7Å; M548-A570 HydrophobicContact SD-CB 3.57Å; M548-A570 VanDerWaalsContact SD-CB 3.57Å; M548-L583 HydrophobicContact CE-CD1 4.29Å; M548-L583 HydrophobicContact SD-CB 4.1Å; M548-L583 HydrophobicContact SD-CD1 3.58Å; M548-L583 VanDerWaalsContact SD-CD1 3.58Å; M548-I607 HydrophobicContact CE-CD1 3.39Å; M548-I607 HydrophobicContact SD-CD1 3.92Å; M548-N615 CarbonylContact C-O 3.57Å; M548-N615 VanDerWaalsContact CA-O 3.27Å; M548-N615 WeakPolarHBondContact CA-O 3.34Å; M548-N615 WeakPolarHBondContact CB-O 3.29Å; M548-L616 HydrophobicContact CB-CD2 3.71Å; M548-L616 HydrophobicContact CE-CD2 4.28Å; M548-L616 HydrophobicContact SD-CD2 4.38Å |
| 549 | V | 93.6 | Very high | 85 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 12% | 0.121 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 117.3 | 170.5 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | R207 P565 L567 N615 Y617 | R207-V549 VanDerWaalsContact NH1-CG2 3.32Å; V549-P565 HydrophobicContact CG1-CB 4.23Å; V549-P565 HydrophobicContact CG1-CG 3.58Å; V549-L567 HydrophobicContact CB-CD2 4.46Å; V549-L567 HydrophobicContact CG2-CD2 3.69Å; V549-N615 HydrophobicContact CB-CB 4.02Å; V549-N615 HydrophobicContact CG2-CB 3.84Å; V549-N615 WeakPolarHBondContact CG2-OD1 3.47Å; V549-N615 PolarHBondContact N-O 3.21Å; V549-Y617 HydrophobicContact CG2-CE2 4.15Å |
| 550 | P | 89.8 | Confident | 85 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 133.5 | 177.3 | 27.9 | -34.8 | 0 | 0 | 0 | 111.3 | M548 C555 P565 A566 I587 I630 | M548-P550 WeakPolarHBondContact O-CD 3.42Å; P550-C555 HydrophobicContact CB-CB 4.16Å; P550-C555 HydrophobicContact CG-CB 4.14Å; P550-P565 HydrophobicContact CG-CB 4.48Å; P550-A566 WeakPolarHBondContact CD-O 3.45Å; P550-A566 WeakPolarHBondContact CG-O 3.14Å; P550-I587 HydrophobicContact CB-CD1 3.71Å; P550-I630 HydrophobicContact CG-CD1 4.29Å |
| 551 | P | 85 | Confident | 84.7 | Confident | 25 Ų | 25 | 39.1 Ų | 39.1 | 16% | 0.162 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -55.7 | 143.8 | 174.6 | -27.9 | 35.2 | 0 | 0 | 0 | 113.1 | P322 S553 I554 C555 I607 | P322-P551 HydrophobicContact CG-CB 4.03Å; P322-P551 HydrophobicContact CG-CG 3.73Å; P551-S553 PolarHBondContact O-N 2.84Å; P551-I554 HydrophobicContact CB-CG1 4.41Å; P551-I554 WeakPolarHBondContact O-CG1 3.09Å; P551-I554 PolarHBondContact O-N 3.48Å; P551-C555 WeakPolarHBondContact O-CB 3.31Å; P551-C555 PolarHBondContact O-N 2.88Å; P551-I607 HydrophobicContact CG-CD1 3.59Å |
| 552 | A | 80.5 | Confident | 84.5 | Confident | 78 Ų | 78 | 43.4 Ų | 43.4 | 65% | 0.645 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 553 | S | 75.3 | Confident | 84.4 | Confident | 38 Ų | 38 | 40 Ų | 40 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -16.7 | 174.5 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | L320 P551 | L320-S553 WeakPolarHBondContact O-CB 3.39Å; L320-S553 PolarHBondContact O-OG 3.3Å; L320-S553 VanDerWaalsContact O-OG 3.08Å; P551-S553 PolarHBondContact O-N 2.84Å |
| 554 | I | 75.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 4 | 178.8 | 67.2 | 175.5 | 0 | 0 | 0 | 112.6 | P551 P585 I587 Q603 | P551-I554 HydrophobicContact CB-CG1 4.41Å; P551-I554 WeakPolarHBondContact O-CG1 3.09Å; P551-I554 PolarHBondContact O-N 3.48Å; I554-P585 HydrophobicContact CD1-CB 4.22Å; I554-P585 HydrophobicContact CD1-CG 3.81Å; I554-I587 HydrophobicContact CD1-CD1 3.6Å; I554-I587 HydrophobicContact CG1-CD1 3.79Å; I554-Q603 HydrophobicContact CB-CG 4.27Å |
| 555 | C | 73.5 | Confident | 83.9 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 10% | 0.095 | 24% | 0.239 | C | C | . | . | trans | -106.8 | 107.5 | -174.6 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | P550 P551 Y560 | P550-C555 HydrophobicContact CB-CB 4.16Å; P550-C555 HydrophobicContact CG-CB 4.14Å; P551-C555 WeakPolarHBondContact O-CB 3.31Å; P551-C555 PolarHBondContact O-N 2.88Å; C555-Y560 HydrophobicContact CB-CE2 4.41Å | ||
| 556 | S | 74 | Confident | 83.7 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | trans | -64.2 | 154.9 | 175.3 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | A558 H559 Y560 | S556-A558 PolarHBondContact O-N 2.8Å; S556-A558 VanDerWaalsContact O-N 3.14Å; S556-A558 PolarHBondContact OG-N 3.27Å; S556-H559 WeakPolarHBondContact O-CB 3.25Å; S556-H559 PolarHBondContact O-N 3.04Å; S556-Y560 WeakPolarHBondContact O-CD2 3.47Å | ||
| 557 | K | 71.2 | Confident | 83.5 | Confident | 191 Ų | 191 | 41.2 Ų | 41.2 | 83% | 0.83 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -55.2 | -29.4 | 170.5 | -71.6 | -177.8 | -179.6 | 174.5 | 0 | 112.7 | H559 Y560 | K557-H559 PolarHBondContact O-N 3.32Å; K557-Y560 PolarHBondContact O-N 3.21Å |
| 558 | A | 71.1 | Confident | 83.3 | Confident | 82 Ų | 82 | 41.2 Ų | 41.2 | 68% | 0.678 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -64.4 | -15.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S556 | S556-A558 PolarHBondContact O-N 2.8Å; S556-A558 VanDerWaalsContact O-N 3.14Å; S556-A558 PolarHBondContact OG-N 3.27Å |
| 559 | H | 77.4 | Confident | 83.2 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 11% | 0.111 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -97.5 | 5.5 | 178.6 | -57.8 | 169.8 | 0 | 0 | 0 | 112.7 | S556 K557 A566 I630 | S556-H559 WeakPolarHBondContact O-CB 3.25Å; S556-H559 PolarHBondContact O-N 3.04Å; K557-H559 PolarHBondContact O-N 3.32Å; H559-A566 VanDerWaalsContact O-CB 3.32Å; H559-A566 WeakPolarHBondContact O-CB 3.22Å; H559-A566 PolarHBondContact O-N 3.35Å; H559-I630 HydrophobicContact CB-CD1 3.82Å; H559-I630 HydrophobicContact CB-CG1 4.41Å |
| 560 | Y | 81.2 | Confident | 83.3 | Confident | 112 Ų | 112 | 40.2 Ų | 40.2 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 139.9 | 173.2 | -77.4 | -110.1 | 0 | 0 | 0 | 110.6 | C555 S556 K557 P565 | C555-Y560 HydrophobicContact CB-CE2 4.41Å; S556-Y560 WeakPolarHBondContact O-CD2 3.47Å; K557-Y560 PolarHBondContact O-N 3.21Å; Y560-P565 HydrophobicContact CE1-CB 4.33Å |
| 561 | C | 82.3 | Confident | 83.5 | Confident | 41 Ų | 41 | 40 Ų | 40 | 28% | 0.277 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | -179.3 | 173.4 | 62.8 | 0 | 0 | 0 | 0 | 109.1 | I563 G564 P628 | C561-I563 PolarHBondContact O-N 3.29Å; C561-G564 PolarHBondContact N-O 3.08Å; C561-G564 PolarHBondContact O-N 2.74Å; C561-G564 VanDerWaalsContact O-O 3.14Å; C561-G564 PolarHBondContact SG-O 2.7Å; C561-P628 HydrophobicContact CB-CB 4.47Å; C561-P628 HydrophobicContact CB-CG 4.03Å |
| 562 | D | 84.8 | Confident | 83.9 | Confident | 148 Ų | 148 | 38.8 Ų | 38.8 | 79% | 0.791 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -24.2 | -172.4 | -61.8 | -39.8 | 0 | 0 | 0 | 114.3 | M202 L209 | M202-D562 VanDerWaalsContact CE-C 3.44Å; M202-D562 HydrophobicContact CE-CB 3.77Å; M202-D562 WeakPolarHBondContact CE-O 3.47Å; L209-D562 WeakPolarHBondContact CD2-O 3.42Å |
| 563 | I | 88.9 | Confident | 84.4 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -1.3 | 175.6 | -154.5 | 168.1 | 0 | 0 | 0 | 113.8 | M202 I204 R207 L209 T232 C561 H627 | M202-I563 HydrophobicContact CE-CB 3.7Å; M202-I563 HydrophobicContact CE-CG1 4.12Å; M202-I563 HydrophobicContact CG-CD1 4.47Å; I204-I563 HydrophobicContact CB-CD1 3.66Å; I204-I563 HydrophobicContact CD1-CB 4.33Å; I204-I563 HydrophobicContact CD1-CD1 3.84Å; I204-I563 HydrophobicContact CD1-CG2 4.34Å; I204-I563 HydrophobicContact CG1-CD1 3.73Å; R207-I563 HydrophobicContact CB-CD1 4.24Å; R207-I563 WeakPolarHBondContact O-CD1 3.06Å; L209-I563 HydrophobicContact CB-CG1 4.09Å; T232-I563 WeakPolarHBondContact CB-O 3.48Å; T232-I563 HydrophobicContact CG2-CG1 4.2Å; T232-I563 VanDerWaalsContact CG2-O 3.23Å; T232-I563 WeakPolarHBondContact CG2-O 3.4Å; T232-I563 PolarHBondContact OG1-O 3.39Å; C561-I563 PolarHBondContact O-N 3.29Å; I563-H627 WeakPolarHBondContact CG2-NE2 3.46Å |
| 564 | G | 85.7 | Confident | 84.9 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 12% | 0.124 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 113.4 | -150.1 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | C561 A566 | C561-G564 PolarHBondContact N-O 3.08Å; C561-G564 PolarHBondContact O-N 2.74Å; C561-G564 VanDerWaalsContact O-O 3.14Å; C561-G564 PolarHBondContact SG-O 2.7Å; G564-A566 PolarHBondContact O-N 3.3Å |
| 565 | P | 86.8 | Confident | 85.4 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 131.1 | 179.6 | 26.6 | -34.7 | 0 | 0 | 0 | 111.4 | V549 P550 Y560 | V549-P565 HydrophobicContact CG1-CB 4.23Å; V549-P565 HydrophobicContact CG1-CG 3.58Å; P550-P565 HydrophobicContact CG-CB 4.48Å; Y560-P565 HydrophobicContact CE1-CB 4.33Å |
| 566 | A | 91.1 | Very high | 85.7 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 152.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P550 H559 G564 P628 I630 | P550-A566 WeakPolarHBondContact CD-O 3.45Å; P550-A566 WeakPolarHBondContact CG-O 3.14Å; H559-A566 VanDerWaalsContact O-CB 3.32Å; H559-A566 WeakPolarHBondContact O-CB 3.22Å; H559-A566 PolarHBondContact O-N 3.35Å; G564-A566 PolarHBondContact O-N 3.3Å; A566-P628 HydrophobicContact CB-CB 3.91Å; A566-I630 HydrophobicContact CB-CD1 4.29Å; A566-I630 HydrophobicContact CB-CG1 3.98Å |
| 567 | L | 94 | Very high | 85.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 153.9 | 174.8 | -57.8 | -175.7 | 0 | 0 | 0 | 109.8 | E547 M548 V549 Y617 W621 P628 L629 I630 | E547-L567 HydrophobicContact CB-CD1 4.18Å; M548-L567 CarbonylContact O-C 3.53Å; M548-L567 VanDerWaalsContact O-CA 3.23Å; M548-L567 WeakPolarHBondContact O-CA 3.47Å; V549-L567 HydrophobicContact CB-CD2 4.46Å; V549-L567 HydrophobicContact CG2-CD2 3.69Å; L567-Y617 HydrophobicContact CD1-CD2 3.57Å; L567-Y617 HydrophobicContact CD1-CE2 4.12Å; L567-Y617 HydrophobicContact CD1-CG 4.21Å; L567-Y617 HydrophobicContact CD2-CD2 3.84Å; L567-Y617 HydrophobicContact CD2-CE2 3.71Å; L567-Y617 HydrophobicContact CG-CD2 4.38Å; L567-W621 HydrophobicContact CD1-CE3 3.58Å; L567-W621 HydrophobicContact CD1-CZ3 3.68Å; L567-P628 PolarHBondContact N-O 3.41Å; L567-L629 HydrophobicContact CB-CD1 3.84Å; L567-L629 CarbonylContact O-C 3.49Å; L567-L629 WeakPolarHBondContact O-CA 3.43Å; L567-I630 WeakPolarHBondContact O-CB 3.3Å; L567-I630 WeakPolarHBondContact O-CG1 3.33Å; L567-I630 PolarHBondContact O-N 3.31Å |
| 568 | C | 92.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 156.8 | 162.6 | 63.1 | 0 | 0 | 0 | 0 | 109.7 | E547 M548 I587 I630 | E547-C568 CarbonylContact C-O 3.2Å; E547-C568 WeakPolarHBondContact CA-O 3.42Å; M548-C568 PolarHBondContact N-O 3.01Å; M548-C568 PolarHBondContact O-N 2.91Å; C568-I587 HydrophobicContact CB-CG1 3.84Å; C568-I630 HydrophobicContact CB-CB 4.4Å; C568-I630 HydrophobicContact CB-CD1 4.12Å |
| 569 | T | 93.2 | Very high | 85.3 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 148.1 | 160.9 | 71.1 | 0 | 0 | 0 | 0 | 109 | F6 W8 L546 D586 L629 P632 | F6-T569 HydrophobicContact CE1-CG2 4.25Å; F6-T569 HydrophobicContact CZ-CG2 4.24Å; W8-T569 HydrophobicContact CH2-CG2 3.45Å; W8-T569 VanDerWaalsContact CH2-CG2 3.45Å; W8-T569 HydrophobicContact CZ2-CG2 3.36Å; W8-T569 HydrophobicContact CZ3-CG2 4.28Å; L546-T569 CarbonylContact O-C 3.57Å; L546-T569 WeakPolarHBondContact O-CA 3.41Å; T569-D586 VanDerWaalsContact C-OD2 3.24Å; T569-D586 WeakPolarHBondContact CB-OD2 3.43Å; T569-D586 PolarHBondContact O-N 3.16Å; T569-D586 WeakPolarHBondContact OG1-CB 3.27Å; T569-D586 PolarHBondContact OG1-OD2 3.26Å; T569-L629 HydrophobicContact CG2-CD1 4.3Å; T569-L629 HydrophobicContact CG2-CD2 4.3Å; T569-P632 HydrophobicContact CG2-CG 4.02Å |
| 570 | A | 94.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 164.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K545 L546 M548 L583 L584 D586 | K545-A570 CarbonylContact C-O 3.49Å; K545-A570 WeakPolarHBondContact CA-O 3.36Å; L546-A570 HydrophobicContact CD1-CB 3.98Å; L546-A570 PolarHBondContact N-O 3.06Å; L546-A570 PolarHBondContact O-N 3.07Å; M548-A570 HydrophobicContact CG-CB 3.7Å; M548-A570 HydrophobicContact SD-CB 3.57Å; M548-A570 VanDerWaalsContact SD-CB 3.57Å; A570-L583 HydrophobicContact CB-CB 4.35Å; A570-L584 CarbonylContact C-O 3.05Å; A570-L584 VanDerWaalsContact CA-O 3.26Å; A570-L584 WeakPolarHBondContact CA-O 3.45Å; A570-D586 PolarHBondContact N-OD2 3.11Å |
| 571 | T | 94.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 135.8 | -173.1 | -44.5 | 0 | 0 | 0 | 0 | 112.9 | G543 M544 K545 T573 L583 L584 D586 R844 | G543-T571 WeakPolarHBondContact O-CG2 3.47Å; M544-T571 WeakPolarHBondContact O-CA 3.49Å; M544-T571 WeakPolarHBondContact O-CG2 3.49Å; K545-T571 WeakPolarHBondContact CD-OG1 3.31Å; K545-T571 WeakPolarHBondContact CE-OG1 3.4Å; K545-T571 PolarHBondContact NZ-OG1 3.21Å; K545-T571 VanDerWaalsContact NZ-OG1 3.1Å; T571-T573 PolarHBondContact O-N 2.82Å; T571-T573 VanDerWaalsContact O-N 3.15Å; T571-L583 CarbonylContact O-C 3.25Å; T571-L583 WeakPolarHBondContact O-CA 3.37Å; T571-L584 PolarHBondContact N-O 3.47Å; T571-L584 PolarHBondContact O-N 3.26Å; T571-D586 PolarHBondContact OG1-OD1 2.82Å; T571-R844 VanDerWaalsContact CB-NH2 3.31Å; T571-R844 PolarHBondContact OG1-NH2 3.21Å |
| 572 | V | 94.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 107.2 | 175.5 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | F540 L541 G543 M544 L546 V575 L583 | F540-V572 HydrophobicContact CB-CG1 4.45Å; F540-V572 HydrophobicContact CB-CG2 4.32Å; F540-V572 HydrophobicContact CD1-CG2 3.85Å; F540-V572 HydrophobicContact CG-CG2 4.42Å; L541-V572 VanDerWaalsContact O-CB 3.3Å; L541-V572 WeakPolarHBondContact O-CB 3.23Å; L541-V572 VanDerWaalsContact O-CG1 3.23Å; L541-V572 WeakPolarHBondContact O-CG1 3.45Å; G543-V572 PolarHBondContact N-O 2.62Å; M544-V572 HydrophobicContact CB-CG2 4.24Å; M544-V572 PolarHBondContact O-N 3.47Å; L546-V572 HydrophobicContact CD2-CG2 4.26Å; V572-V575 HydrophobicContact CG1-CG2 3.35Å; V572-L583 HydrophobicContact CB-CD2 4.43Å; V572-L583 HydrophobicContact CG2-CD2 3.78Å |
| 573 | T | 90.7 | Very high | 87.3 | Confident | 15 Ų | 15 | 26.9 Ų | 26.9 | 9% | 0.092 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -16 | 175.5 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | T571 W582 L584 L848 P854 | T571-T573 PolarHBondContact O-N 2.82Å; T571-T573 VanDerWaalsContact O-N 3.15Å; T573-W582 PolarHBondContact N-O 2.96Å; T573-W582 WeakPolarHBondContact OG1-CB 3.48Å; T573-W582 PolarHBondContact OG1-O 2.98Å; T573-L584 HydrophobicContact CG2-CB 3.7Å; T573-L848 HydrophobicContact CG2-CD1 4.45Å; T573-L848 HydrophobicContact CG2-CD2 4.46Å; T573-P854 HydrophobicContact CG2-CB 4.15Å; T573-P854 HydrophobicContact CG2-CG 4Å |
| 574 | R | 86.9 | Confident | 87.4 | Confident | 34 Ų | 34 | 27.2 Ų | 27.2 | 13% | 0.128 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 149.6 | 168.5 | -171.8 | -174.4 | 178.1 | 164.8 | 2 | 110.1 | R390 E576 W582 | R390-R574 PolarHBondContact O-NH1 3.32Å; R390-R574 PolarHBondContact O-NH2 3.2Å; R574-E576 IonicContact CZ-OE1 2.76Å; R574-E576 IonicContact CZ-OE2 3.88Å; R574-E576 IonicContact NE-OE2 3.48Å; R574-E576 PolarHBondContact NE-OE2 3.49Å; R574-E576 IonicContact NH1-OE2 3.34Å; R574-E576 IonicContact NH2-OE1 3.15Å; R574-E576 PolarHBondContact NH2-OE1 3.25Å; R574-E576 IonicContact NH2-OE2 2.88Å; R574-E576 PolarHBondContact NH2-OE2 2.89Å; R574-W582 HydrophobicContact CB-CB 3.76Å; R574-W582 HydrophobicContact CB-CD2 3.79Å; R574-W582 HydrophobicContact CB-CE3 3.77Å; R574-W582 HydrophobicContact CB-CG 3.8Å; R574-W582 HydrophobicContact CG-CD2 4.12Å; R574-W582 HydrophobicContact CG-CE3 3.84Å; R574-W582 HydrophobicContact CG-CZ3 4.24Å; R574-W582 PolarHBondContact N-O 3.49Å; R574-W582 PolarHBondContact O-N 3.31Å |
| 575 | V | 85.9 | Confident | 87.7 | Confident | 53 Ų | 53 | 26.9 Ų | 26.9 | 32% | 0.321 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.8 | 166.5 | -174.6 | 0 | 0 | 0 | 0 | 107.1 | F540 V572 L581 | F540-V575 HydrophobicContact CB-CG2 3.81Å; V572-V575 HydrophobicContact CG1-CG2 3.35Å; V575-L581 HydrophobicContact CB-CD2 4.29Å; V575-L581 HydrophobicContact CG1-CD2 3.96Å; V575-L581 HydrophobicContact CG2-CD2 3.94Å |
| 576 | E | 79.4 | Confident | 87.7 | Confident | 48 Ų | 48 | 26.8 Ų | 26.8 | 22% | 0.224 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.3 | 176.2 | -166.2 | 144.8 | -133 | 0 | 0 | 111.2 | R574 P578 H579 L580 W582 | R574-E576 IonicContact CZ-OE1 2.76Å; R574-E576 IonicContact CZ-OE2 3.88Å; R574-E576 IonicContact NE-OE2 3.48Å; R574-E576 PolarHBondContact NE-OE2 3.49Å; R574-E576 IonicContact NH1-OE2 3.34Å; R574-E576 IonicContact NH2-OE1 3.15Å; R574-E576 PolarHBondContact NH2-OE1 3.25Å; R574-E576 IonicContact NH2-OE2 2.88Å; R574-E576 PolarHBondContact NH2-OE2 2.89Å; E576-P578 CarbonylContact O-C 3.42Å; E576-H579 PolarHBondContact O-N 2.99Å; E576-L580 PolarHBondContact N-O 2.81Å; E576-L580 PolarHBondContact O-N 3.05Å; E576-W582 HydrophobicContact CB-CH2 3.93Å; E576-W582 HydrophobicContact CB-CZ3 3.57Å; E576-W582 WeakPolarHBondContact OE2-CH2 3.38Å |
| 577 | Y | 64.5 | Low | 87.3 | Confident | 212 Ų | 212 | 26.6 Ų | 26.6 | 83% | 0.831 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 136.3 | -171.2 | -170.5 | -90.5 | 0 | 0 | 0 | 111.1 | ||
| 578 | P | 61.1 | Low | 86.2 | Confident | 64 Ų | 64 | 28.4 Ų | 28.4 | 42% | 0.416 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -79.7 | -43.8 | 6.7 | 30.4 | -34.3 | 0 | 0 | 0 | 114.5 | E576 | E576-P578 CarbonylContact O-C 3.42Š|
| 579 | H | 82.3 | Confident | 84.7 | Confident | 69 Ų | 69 | 31.2 Ų | 31.2 | 32% | 0.319 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -142 | 14.8 | -164.7 | -58.4 | -53.3 | 0 | 0 | 0 | 116 | P379 E576 D610 A611 | P379-H579 HydrophobicContact CG-CB 3.99Å; E576-H579 PolarHBondContact O-N 2.99Å; H579-D610 WeakPolarHBondContact CB-OD1 3.46Å; H579-D610 CarbonylContact O-C 3.59Å; H579-D610 WeakPolarHBondContact O-CA 3.39Å; H579-A611 HydrophobicContact CB-CB 4.1Å; H579-A611 WeakPolarHBondContact O-CB 3.38Å; H579-A611 PolarHBondContact O-N 2.79Å |
| 580 | L | 89.6 | Confident | 82.8 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 123.4 | -178.2 | -168.4 | 58 | 0 | 0 | 0 | 111.3 | P379 E576 W582 L608 | P379-L580 HydrophobicContact CB-CB 3.96Å; P379-L580 HydrophobicContact CB-CD1 4.06Å; P379-L580 HydrophobicContact CB-CG 4.5Å; E576-L580 PolarHBondContact N-O 2.81Å; E576-L580 PolarHBondContact O-N 3.05Å; L580-W582 HydrophobicContact CB-CH2 4.44Å; L580-W582 HydrophobicContact CB-CZ3 3.91Å; L580-W582 HydrophobicContact CD2-CH2 3.59Å; L580-W582 HydrophobicContact CD2-CZ2 4.42Å; L580-W582 HydrophobicContact CD2-CZ3 3.85Å; L580-W582 HydrophobicContact CG-CE3 4.3Å; L580-W582 HydrophobicContact CG-CH2 3.89Å; L580-W582 HydrophobicContact CG-CZ3 3.58Å; L580-W582 WeakPolarHBondContact O-CZ3 3.49Å; L580-L608 HydrophobicContact CD1-CB 4.3Å; L580-L608 HydrophobicContact CD2-CD2 4.33Å; L580-L608 HydrophobicContact CG-CD2 4.41Å |
| 581 | L | 91.9 | Very high | 80.4 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 145.6 | 177.4 | -56.9 | -176 | 0 | 0 | 0 | 111.6 | F540 V575 L583 L608 I609 A611 L616 | F540-L581 HydrophobicContact CB-CD2 4.03Å; F540-L581 HydrophobicContact CD1-CD1 4.32Å; F540-L581 HydrophobicContact CD2-CD1 3.89Å; F540-L581 HydrophobicContact CD2-CD2 4.01Å; F540-L581 HydrophobicContact CE1-CD1 4.35Å; F540-L581 HydrophobicContact CE2-CD1 3.95Å; F540-L581 HydrophobicContact CG-CD1 4.09Å; F540-L581 HydrophobicContact CG-CD2 4.07Å; F540-L581 HydrophobicContact CZ-CD1 4.17Å; V575-L581 HydrophobicContact CB-CD2 4.29Å; V575-L581 HydrophobicContact CG1-CD2 3.96Å; V575-L581 HydrophobicContact CG2-CD2 3.94Å; L581-L583 HydrophobicContact CB-CD2 4.05Å; L581-L583 HydrophobicContact CB-CG 4.16Å; L581-L583 HydrophobicContact CD1-CD2 4.16Å; L581-L608 WeakPolarHBondContact O-CA 3.35Å; L581-I609 HydrophobicContact CB-CG2 4.19Å; L581-I609 PolarHBondContact N-O 3.19Å; L581-I609 PolarHBondContact O-N 3.01Å; L581-A611 HydrophobicContact CD1-CB 3.84Å; L581-A611 HydrophobicContact CD2-CB 4.17Å; L581-A611 HydrophobicContact CG-CB 3.84Å; L581-L616 HydrophobicContact CD1-CD1 4.01Å |
| 582 | W | 91.8 | Very high | 77.8 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 98.8 | 165.4 | -71.8 | -122.9 | 0 | 0 | 0 | 107.5 | I392 T573 R574 E576 L580 P606 I607 L608 | I392-W582 HydrophobicContact CD1-CH2 4.24Å; I392-W582 HydrophobicContact CD1-CZ2 3.73Å; I392-W582 HydrophobicContact CG1-CZ2 3.59Å; T573-W582 PolarHBondContact N-O 2.96Å; T573-W582 WeakPolarHBondContact OG1-CB 3.48Å; T573-W582 PolarHBondContact OG1-O 2.98Å; R574-W582 HydrophobicContact CB-CB 3.76Å; R574-W582 HydrophobicContact CB-CD2 3.79Å; R574-W582 HydrophobicContact CB-CE3 3.77Å; R574-W582 HydrophobicContact CB-CG 3.8Å; R574-W582 HydrophobicContact CG-CD2 4.12Å; R574-W582 HydrophobicContact CG-CE3 3.84Å; R574-W582 HydrophobicContact CG-CZ3 4.24Å; R574-W582 PolarHBondContact N-O 3.49Å; R574-W582 PolarHBondContact O-N 3.31Å; E576-W582 HydrophobicContact CB-CH2 3.93Å; E576-W582 HydrophobicContact CB-CZ3 3.57Å; E576-W582 WeakPolarHBondContact OE2-CH2 3.38Å; L580-W582 HydrophobicContact CB-CH2 4.44Å; L580-W582 HydrophobicContact CB-CZ3 3.91Å; L580-W582 HydrophobicContact CD2-CH2 3.59Å; L580-W582 HydrophobicContact CD2-CZ2 4.42Å; L580-W582 HydrophobicContact CD2-CZ3 3.85Å; L580-W582 HydrophobicContact CG-CE3 4.3Å; L580-W582 HydrophobicContact CG-CH2 3.89Å; L580-W582 HydrophobicContact CG-CZ3 3.58Å; L580-W582 WeakPolarHBondContact O-CZ3 3.49Å; W582-P606 HydrophobicContact CB-CB 4.13Å; W582-I607 CarbonylContact C-O 3.54Å; W582-I607 VanDerWaalsContact CA-O 3.31Å; W582-I607 WeakPolarHBondContact CA-O 3.46Å; W582-L608 HydrophobicContact CD2-CD2 3.58Å; W582-L608 HydrophobicContact CE3-CD2 4.17Å; W582-L608 HydrophobicContact CG-CD2 4Å; W582-L608 HydrophobicContact CH2-CD2 4.11Å; W582-L608 HydrophobicContact CZ2-CD2 3.58Å; W582-L608 HydrophobicContact CZ3-CD2 4.38Å |
| 583 | L | 93.5 | Very high | 75.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.4 | 178.2 | -56 | -179 | 0 | 0 | 0 | 108.7 | L546 M548 A570 T571 V572 L581 P585 P606 I607 I609 L616 | L546-L583 HydrophobicContact CD1-CD1 4.12Å; L546-L583 HydrophobicContact CD2-CD1 4.35Å; L546-L583 HydrophobicContact CD2-CD2 3.93Å; M548-L583 HydrophobicContact CE-CD1 4.29Å; M548-L583 HydrophobicContact SD-CB 4.1Å; M548-L583 HydrophobicContact SD-CD1 3.58Å; M548-L583 VanDerWaalsContact SD-CD1 3.58Å; A570-L583 HydrophobicContact CB-CB 4.35Å; T571-L583 CarbonylContact O-C 3.25Å; T571-L583 WeakPolarHBondContact O-CA 3.37Å; V572-L583 HydrophobicContact CB-CD2 4.43Å; V572-L583 HydrophobicContact CG2-CD2 3.78Å; L581-L583 HydrophobicContact CB-CD2 4.05Å; L581-L583 HydrophobicContact CB-CG 4.16Å; L581-L583 HydrophobicContact CD1-CD2 4.16Å; L583-P585 WeakPolarHBondContact O-CD 3.45Å; L583-P606 CarbonylContact O-C 3.58Å; L583-P606 VanDerWaalsContact O-CA 3.25Å; L583-P606 WeakPolarHBondContact O-CA 3.4Å; L583-I607 HydrophobicContact CB-CG1 4.19Å; L583-I607 PolarHBondContact N-O 2.82Å; L583-I607 WeakPolarHBondContact O-CG1 3.38Å; L583-I607 PolarHBondContact O-N 3.16Å; L583-I609 HydrophobicContact CD1-CG2 3.62Å; L583-I609 HydrophobicContact CG-CG2 4.04Å; L583-L616 HydrophobicContact CD1-CD1 4.4Å; L583-L616 HydrophobicContact CD1-CD2 3.4Å; L583-L616 VanDerWaalsContact CD1-CD2 3.4Å |
| 584 | L | 91.8 | Very high | 72.7 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 114.8 | 163 | -176.1 | 69 | 0 | 0 | 0 | 107.5 | A570 T571 T573 S604 P606 | A570-L584 CarbonylContact C-O 3.05Å; A570-L584 VanDerWaalsContact CA-O 3.26Å; A570-L584 WeakPolarHBondContact CA-O 3.45Å; T571-L584 PolarHBondContact N-O 3.47Å; T571-L584 PolarHBondContact O-N 3.26Å; T573-L584 HydrophobicContact CG2-CB 3.7Å; L584-S604 VanDerWaalsContact CD1-O 3.29Å; L584-S604 WeakPolarHBondContact CD1-O 3.48Å; L584-P606 HydrophobicContact CD1-CG 4.44Å |
| 585 | P | 91 | Very high | 70.5 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.032 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 132.1 | 173.7 | -17.8 | 34.8 | 0 | 0 | 0 | 110 | I554 L583 I587 I607 | I554-P585 HydrophobicContact CD1-CB 4.22Å; I554-P585 HydrophobicContact CD1-CG 3.81Å; L583-P585 WeakPolarHBondContact O-CD 3.45Å; P585-I587 HydrophobicContact CB-CD1 3.83Å; P585-I587 HydrophobicContact CB-CG1 3.79Å; P585-I587 PolarHBondContact O-N 2.78Å; P585-I587 VanDerWaalsContact O-N 3.08Å; P585-I607 HydrophobicContact CG-CD1 3.7Å; P585-I607 HydrophobicContact CG-CG1 4.03Å |
| 586 | D | 87.2 | Confident | 68.6 | Low | 16 Ų | 16 | 69.1 Ų | 69.1 | 9% | 0.086 | 35% | 0.351 | C | S | . | . | trans | -88.2 | 47.8 | -180 | -34.9 | -71 | 0 | 0 | 0 | 110.8 | K545 T569 A570 T571 P632 R844 | K545-D586 IonicContact NZ-OD1 3.78Å; K545-D586 PolarHBondContact NZ-OD1 3.1Å; K545-D586 IonicContact NZ-OD2 2.67Å; K545-D586 PolarHBondContact NZ-OD2 3.43Å; T569-D586 VanDerWaalsContact C-OD2 3.24Å; T569-D586 WeakPolarHBondContact CB-OD2 3.43Å; T569-D586 PolarHBondContact O-N 3.16Å; T569-D586 WeakPolarHBondContact OG1-CB 3.27Å; T569-D586 PolarHBondContact OG1-OD2 3.26Å; A570-D586 PolarHBondContact N-OD2 3.11Å; T571-D586 PolarHBondContact OG1-OD1 2.82Å; D586-P632 HydrophobicContact CB-CB 4.21Å; D586-P632 WeakPolarHBondContact O-CA 3.48Å; D586-R844 IonicContact OD1-NH2 2.78Å | ||
| 587 | I | 82.5 | Confident | 67 | Low | 5 Ų | 5 | 74.9 Ų | 74.9 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 130.9 | -174.6 | -56.2 | 172.5 | 0 | 0 | 0 | 110.3 | P550 I554 C568 P585 C589 Q603 S633 | P550-I587 HydrophobicContact CB-CD1 3.71Å; I554-I587 HydrophobicContact CD1-CD1 3.6Å; I554-I587 HydrophobicContact CG1-CD1 3.79Å; C568-I587 HydrophobicContact CB-CG1 3.84Å; P585-I587 HydrophobicContact CB-CD1 3.83Å; P585-I587 HydrophobicContact CB-CG1 3.79Å; P585-I587 PolarHBondContact O-N 2.78Å; P585-I587 VanDerWaalsContact O-N 3.08Å; I587-C589 PolarHBondContact O-N 2.99Å; I587-Q603 VanDerWaalsContact CG2-NE2 3.34Å; I587-S633 PolarHBondContact O-OG 3.25Å |
| 588 | P | 72 | Confident | 66.3 | Low | 37 Ų | 37 | 69 Ų | 69 | 24% | 0.24 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 131.4 | 175 | -28 | 36 | 0 | 0 | 0 | 114.1 | I590 Q603 I630 P631 S633 | P588-I590 PolarHBondContact O-N 3.04Å; P588-Q603 PolarHBondContact O-NE2 2.88Å; P588-I630 HydrophobicContact CG-CG2 4.37Å; P588-P631 WeakPolarHBondContact CD-O 3.45Å; P588-P631 WeakPolarHBondContact CG-O 3.28Å; P588-S633 WeakPolarHBondContact CA-OG 3.41Å |
| 589 | C | 60.1 | Low | 65.9 | Low | 59 Ų | 59 | 69.1 Ų | 69.1 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 117 | 166.6 | -67.7 | 0 | 0 | 0 | 0 | 109.4 | I587 E591 T600 | I587-C589 PolarHBondContact O-N 2.99Å; C589-E591 PolarHBondContact O-N 3.24Å; C589-T600 HydrophobicContact CB-CG2 4.36Å |
| 590 | I | 55 | Low | 64.4 | Low | 56 Ų | 56 | 68.1 Ų | 68.1 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | trans | -88.1 | 86.6 | -179.9 | -51.9 | 177.5 | 0 | 0 | 0 | 108.8 | P588 N592 F593 | P588-I590 PolarHBondContact O-N 3.04Å; I590-N592 PolarHBondContact O-N 2.97Å; I590-N592 VanDerWaalsContact O-N 3.16Å; I590-F593 HydrophobicContact CG2-CD2 3.81Å; I590-F593 HydrophobicContact CG2-CE2 4.15Å | ||
| 591 | E | 43.7 | Very low | 62.8 | Low | 170 Ų | 170 | 70.2 Ų | 70.2 | 79% | 0.794 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.1 | -177.3 | -60.1 | -175.5 | 154.3 | 0 | 0 | 113.9 | C589 F593 | C589-E591 PolarHBondContact O-N 3.24Å; E591-F593 PolarHBondContact O-N 3.31Å |
| 592 | N | 38.5 | Very low | 61.2 | Low | 145 Ų | 145 | 71.6 Ų | 71.6 | 78% | 0.775 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 25.4 | -169.3 | -71.2 | -38.2 | 0 | 0 | 0 | 115.9 | I590 | I590-N592 PolarHBondContact O-N 2.97Å; I590-N592 VanDerWaalsContact O-N 3.16Å |
| 593 | F | 41.2 | Very low | 59.9 | Low | 153 Ų | 153 | 70.9 Ų | 70.9 | 67% | 0.671 | 37% | 0.365 | S | S | * | . | trans | -127.9 | 102 | 167.7 | -74.3 | -72.9 | 0 | 0 | 0 | 111.3 | I590 E591 N595 | I590-F593 HydrophobicContact CG2-CD2 3.81Å; I590-F593 HydrophobicContact CG2-CE2 4.15Å; E591-F593 PolarHBondContact O-N 3.31Å; F593-N595 PolarHBondContact O-N 2.87Å | ||
| 594 | T | 37.7 | Very low | 58.9 | Low | 134 Ų | 134 | 72.8 Ų | 72.8 | 82% | 0.822 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 27.8 | -161.3 | 58.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 595 | N | 40.9 | Very low | 58.3 | Low | 152 Ų | 152 | 72.9 Ų | 72.9 | 81% | 0.813 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.6 | -5.5 | -178.8 | -78.2 | -47.1 | 0 | 0 | 0 | 115.1 | F593 | F593-N595 PolarHBondContact O-N 2.87Š|
| 596 | D | 45.8 | Very low | 58.1 | Low | 90 Ų | 90 | 73.2 Ų | 73.2 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | trans | -119.7 | 50.5 | -168.2 | -99.8 | -44.1 | 0 | 0 | 0 | 113.7 | K598 I599 | D596-K598 PolarHBondContact O-N 3.19Å; D596-I599 HydrophobicContact CB-CD1 3.82Å; D596-I599 HydrophobicContact CB-CG1 4.04Å; D596-I599 PolarHBondContact O-N 2.66Å | ||
| 597 | E | 45.3 | Very low | 58.2 | Low | 169 Ų | 169 | 72.6 Ų | 72.6 | 79% | 0.79 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -52.6 | -21.4 | 174.5 | -66.2 | -170.1 | 139.3 | 0 | 0 | 113.8 | T600 | E597-T600 PolarHBondContact O-OG1 2.93Å; E597-T600 VanDerWaalsContact O-OG1 3.09Å |
| 598 | K | 49.3 | Very low | 58.7 | Low | 87 Ų | 87 | 72.8 Ų | 72.8 | 38% | 0.378 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69 | -36 | 177.8 | -59.5 | -170.9 | 178.7 | -151.6 | 0 | 113.2 | D596 Y602 E904 | D596-K598 PolarHBondContact O-N 3.19Å; K598-Y602 HydrophobicContact CB-CE2 4.18Å; K598-Y602 WeakPolarHBondContact O-CD2 3.5Å; K598-Y602 WeakPolarHBondContact O-CE2 3.16Å; K598-Y602 PolarHBondContact O-N 3.16Å; K598-E904 WeakPolarHBondContact CE-OE2 3.39Å; K598-E904 IonicContact NZ-OE1 3.17Å; K598-E904 PolarHBondContact NZ-OE1 3.17Å; K598-E904 VanDerWaalsContact NZ-OE1 3.17Å; K598-E904 IonicContact NZ-OE2 2.82Å; K598-E904 PolarHBondContact NZ-OE2 2.83Å |
| 599 | I | 52.1 | Low | 59.7 | Low | 67 Ų | 67 | 72 Ų | 72 | 34% | 0.344 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.2 | -44.3 | -172.2 | -62 | -177.5 | 0 | 0 | 0 | 110.3 | D596 H601 Y602 Q603 | D596-I599 HydrophobicContact CB-CD1 3.82Å; D596-I599 HydrophobicContact CB-CG1 4.04Å; D596-I599 PolarHBondContact O-N 2.66Å; I599-H601 VanDerWaalsContact C-N 3.33Å; I599-H601 PolarHBondContact O-N 2.86Å; I599-Y602 PolarHBondContact O-N 2.72Å; I599-Y602 VanDerWaalsContact O-N 3.1Å; I599-Q603 PolarHBondContact O-N 2.93Å; I599-Q603 VanDerWaalsContact O-N 3.17Å |
| 600 | T | 50.8 | Low | 61.2 | Low | 49 Ų | 49 | 69.6 Ų | 69.6 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 179.7 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | C589 E597 Y602 Q603 | C589-T600 HydrophobicContact CB-CG2 4.36Å; E597-T600 PolarHBondContact O-OG1 2.93Å; E597-T600 VanDerWaalsContact O-OG1 3.09Å; T600-Y602 VanDerWaalsContact C-N 3.28Å; T600-Y602 PolarHBondContact O-N 2.84Å; T600-Q603 PolarHBondContact O-N 3.13Å |
| 601 | H | 56.3 | Low | 62.9 | Low | 48 Ų | 48 | 67.4 Ų | 67.4 | 22% | 0.222 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.2 | -33.9 | 177 | -168.8 | -1.3 | 0 | 0 | 0 | 112.6 | I599 R605 | I599-H601 VanDerWaalsContact C-N 3.33Å; I599-H601 PolarHBondContact O-N 2.86Å; H601-R605 PolarHBondContact CD2-NH2 2.74Å; H601-R605 PolarHBondContact CE1-NH2 3.18Å; H601-R605 VanDerWaalsContact CE1-NH2 3.26Å; H601-R605 PolarHBondContact NE2-NH2 3.04Å; H601-R605 WeakPolarHBondContact O-CG 3.43Å |
| 602 | Y | 59 | Low | 65.1 | Low | 29 Ų | 29 | 64 Ų | 64 | 11% | 0.114 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -76.3 | -32.2 | 178.2 | -59.1 | -42.9 | 0 | 0 | 0 | 113.6 | Y323 K598 I599 T600 S604 R605 E904 | Y323-Y602 HydrophobicContact CE1-CD1 4.3Å; Y323-Y602 HydrophobicContact CE1-CG 4.43Å; Y323-Y602 AromaticContact CE2-CD1 3.91Å; Y323-Y602 HydrophobicContact CE2-CD1 3.91Å; Y323-Y602 HydrophobicContact CE2-CE1 4.05Å; Y323-Y602 AromaticContact CZ-CD1 3.63Å; Y323-Y602 AromaticContact CZ-CE1 3.94Å; Y323-Y602 WeakPolarHBondContact OH-CD1 3.43Å; Y323-Y602 WeakPolarHBondContact OH-CE1 3.34Å; K598-Y602 HydrophobicContact CB-CE2 4.18Å; K598-Y602 WeakPolarHBondContact O-CD2 3.5Å; K598-Y602 WeakPolarHBondContact O-CE2 3.16Å; K598-Y602 PolarHBondContact O-N 3.16Å; I599-Y602 PolarHBondContact O-N 2.72Å; I599-Y602 VanDerWaalsContact O-N 3.1Å; T600-Y602 VanDerWaalsContact C-N 3.28Å; T600-Y602 PolarHBondContact O-N 2.84Å; Y602-S604 PolarHBondContact O-N 3.39Å; Y602-R605 WeakPolarHBondContact O-CB 3.42Å; Y602-R605 PolarHBondContact O-N 3.39Å; Y602-R605 VanDerWaalsContact O-N 3.1Å; Y602-E904 PolarHBondContact OH-OE1 2.76Å |
| 603 | Q | 65.1 | Low | 67.6 | Low | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.033 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.4 | -35.1 | 178 | -69.1 | 174.1 | -58.2 | 0 | 0 | 111.9 | I554 I587 P588 I599 T600 R605 | I554-Q603 HydrophobicContact CB-CG 4.27Å; I587-Q603 VanDerWaalsContact CG2-NE2 3.34Å; P588-Q603 PolarHBondContact O-NE2 2.88Å; I599-Q603 PolarHBondContact O-N 2.93Å; I599-Q603 VanDerWaalsContact O-N 3.17Å; T600-Q603 PolarHBondContact O-N 3.13Å; Q603-R605 VanDerWaalsContact C-N 3.3Å; Q603-R605 PolarHBondContact O-N 3.45Å |
| 604 | S | 71.2 | Confident | 70.1 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 28% | 0.28 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 2.8 | 178.1 | -39.1 | 0 | 0 | 0 | 0 | 115.3 | L584 Y602 H855 P913 | L584-S604 VanDerWaalsContact CD1-O 3.29Å; L584-S604 WeakPolarHBondContact CD1-O 3.48Å; Y602-S604 PolarHBondContact O-N 3.39Å; S604-H855 PolarHBondContact O-NE2 2.75Å; S604-P913 WeakPolarHBondContact O-CB 3.38Å |
| 605 | R | 79.3 | Confident | 72.9 | Confident | 13 Ų | 13 | 48 Ų | 48 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -93.1 | 132.8 | -177.6 | -60.2 | -172.6 | 178.5 | -159.2 | -9.9 | 111.1 | Y323 H601 Y602 Q603 S907 P913 | Y323-R605 HydrophobicContact CG-CB 4.22Å; H601-R605 PolarHBondContact CD2-NH2 2.74Å; H601-R605 PolarHBondContact CE1-NH2 3.18Å; H601-R605 VanDerWaalsContact CE1-NH2 3.26Å; H601-R605 PolarHBondContact NE2-NH2 3.04Å; H601-R605 WeakPolarHBondContact O-CG 3.43Å; Y602-R605 WeakPolarHBondContact O-CB 3.42Å; Y602-R605 PolarHBondContact O-N 3.39Å; Y602-R605 VanDerWaalsContact O-N 3.1Å; Q603-R605 VanDerWaalsContact C-N 3.3Å; Q603-R605 PolarHBondContact O-N 3.45Å; R605-S907 PolarHBondContact NH2-OG 3.3Å; R605-S907 VanDerWaalsContact NH2-OG 3.12Å; R605-P913 HydrophobicContact CG-CB 4.37Å |
| 606 | P | 87.3 | Confident | 75.5 | Confident | 12 Ų | 12 | 40.8 Ų | 40.8 | 8% | 0.078 | 21% | 0.205 | C | C | . | . | trans | -63.6 | 136.5 | 170 | -18.7 | 31.5 | 0 | 0 | 0 | 111.3 | Y323 W582 L583 L584 | Y323-P606 WeakPolarHBondContact CB-O 3.5Å; W582-P606 HydrophobicContact CB-CB 4.13Å; L583-P606 CarbonylContact O-C 3.58Å; L583-P606 VanDerWaalsContact O-CA 3.25Å; L583-P606 WeakPolarHBondContact O-CA 3.4Å; L584-P606 HydrophobicContact CD1-CG 4.44Å | ||
| 607 | I | 90 | Very high | 78 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 146.9 | 179.1 | 58.6 | 173.8 | 0 | 0 | 0 | 111.6 | P322 M548 P551 W582 L583 P585 | P322-I607 HydrophobicContact CB-CB 4.34Å; P322-I607 HydrophobicContact CG-CB 4.05Å; P322-I607 HydrophobicContact CG-CG2 3.99Å; P322-I607 CarbonylContact O-C 3.59Å; P322-I607 WeakPolarHBondContact O-CA 3.3Å; M548-I607 HydrophobicContact CE-CD1 3.39Å; M548-I607 HydrophobicContact SD-CD1 3.92Å; P551-I607 HydrophobicContact CG-CD1 3.59Å; W582-I607 CarbonylContact C-O 3.54Å; W582-I607 VanDerWaalsContact CA-O 3.31Å; W582-I607 WeakPolarHBondContact CA-O 3.46Å; L583-I607 HydrophobicContact CB-CG1 4.19Å; L583-I607 PolarHBondContact N-O 2.82Å; L583-I607 WeakPolarHBondContact O-CG1 3.38Å; L583-I607 PolarHBondContact O-N 3.16Å; P585-I607 HydrophobicContact CG-CD1 3.7Å; P585-I607 HydrophobicContact CG-CG1 4.03Å |
| 608 | L | 92.2 | Very high | 80.4 | Confident | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 129.2 | -175.3 | -62.4 | 165.9 | 0 | 0 | 0 | 110 | V317 P322 V325 I392 L580 L581 W582 | V317-L608 HydrophobicContact CG1-CB 3.87Å; V317-L608 HydrophobicContact CG1-CD1 4.13Å; V317-L608 HydrophobicContact CG2-CB 4.01Å; V317-L608 HydrophobicContact CG2-CD1 3.74Å; V317-L608 HydrophobicContact CG2-CG 4.47Å; P322-L608 VanDerWaalsContact O-CB 3.24Å; P322-L608 WeakPolarHBondContact O-CB 3.37Å; P322-L608 VanDerWaalsContact O-CG 3.32Å; P322-L608 WeakPolarHBondContact O-CG 3.44Å; P322-L608 PolarHBondContact O-N 2.82Å; V325-L608 HydrophobicContact CG2-CD1 4.33Å; I392-L608 HydrophobicContact CD1-CD2 4.44Å; I392-L608 HydrophobicContact CG2-CD1 3.95Å; L580-L608 HydrophobicContact CD1-CB 4.3Å; L580-L608 HydrophobicContact CD2-CD2 4.33Å; L580-L608 HydrophobicContact CG-CD2 4.41Å; L581-L608 WeakPolarHBondContact O-CA 3.35Å; W582-L608 HydrophobicContact CD2-CD2 3.58Å; W582-L608 HydrophobicContact CE3-CD2 4.17Å; W582-L608 HydrophobicContact CG-CD2 4Å; W582-L608 HydrophobicContact CH2-CD2 4.11Å; W582-L608 HydrophobicContact CZ2-CD2 3.58Å; W582-L608 HydrophobicContact CZ3-CD2 4.38Å |
| 609 | I | 92.8 | Very high | 82.6 | Confident | 22 Ų | 22 | 26 Ų | 26 | 11% | 0.113 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 145 | 179.6 | -167.3 | 160.6 | 0 | 0 | 0 | 112.1 | L581 L583 A611 L616 | L581-I609 HydrophobicContact CB-CG2 4.19Å; L581-I609 PolarHBondContact N-O 3.19Å; L581-I609 PolarHBondContact O-N 3.01Å; L583-I609 HydrophobicContact CD1-CG2 3.62Å; L583-I609 HydrophobicContact CG-CG2 4.04Å; I609-A611 PolarHBondContact O-N 3.21Å; I609-L616 HydrophobicContact CD1-CD2 4.05Å; I609-L616 HydrophobicContact CD1-CG 4.32Å; I609-L616 HydrophobicContact CG2-CD1 4.18Å; I609-L616 HydrophobicContact CG2-CD2 4.3Å |
| 610 | D | 91.9 | Very high | 84.5 | Confident | 7 Ų | 7 | 23.9 Ų | 23.9 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 127.8 | 166.9 | -169.9 | -29.7 | 0 | 0 | 0 | 111 | P379 E380 H579 R612 S613 | P379-D610 WeakPolarHBondContact CD-OD2 3.41Å; P379-D610 HydrophobicContact CG-CB 4.03Å; P379-D610 WeakPolarHBondContact CG-OD2 3.45Å; E380-D610 WeakPolarHBondContact OE1-CB 3.28Å; E380-D610 PolarHBondContact OE1-N 3.19Å; H579-D610 WeakPolarHBondContact CB-OD1 3.46Å; H579-D610 CarbonylContact O-C 3.59Å; H579-D610 WeakPolarHBondContact O-CA 3.39Å; D610-R612 PolarHBondContact O-N 3.18Å; D610-R612 VanDerWaalsContact O-N 3.08Å; D610-R612 VanDerWaalsContact OD1-CB 3.28Å; D610-R612 WeakPolarHBondContact OD1-CB 3.41Å; D610-R612 WeakPolarHBondContact OD1-CG 3.25Å; D610-R612 IonicContact OD1-CZ 2.76Å; D610-R612 PolarHBondContact OD1-N 3.24Å; D610-R612 IonicContact OD1-NE 3.94Å; D610-R612 PolarHBondContact OD1-NE 2.79Å; D610-R612 IonicContact OD2-CZ 3.51Å; D610-R612 VanDerWaalsContact OD2-CZ 3.26Å; D610-R612 IonicContact OD2-NE 2.66Å; D610-R612 PolarHBondContact OD2-NE 3.14Å; D610-R612 IonicContact OD2-NH2 3.61Å; D610-R612 PolarHBondContact OD2-NH2 3.17Å; D610-S613 WeakPolarHBondContact O-CB 3.35Å; D610-S613 PolarHBondContact O-N 3.25Å |
| 611 | A | 91.3 | Very high | 86.6 | Confident | 10 Ų | 10 | 21.8 Ų | 21.8 | 8% | 0.083 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -24.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | F540 H579 L581 I609 | F540-A611 HydrophobicContact CD2-CB 4.01Å; F540-A611 HydrophobicContact CE2-CB 3.81Å; H579-A611 HydrophobicContact CB-CB 4.1Å; H579-A611 WeakPolarHBondContact O-CB 3.38Å; H579-A611 PolarHBondContact O-N 2.79Å; L581-A611 HydrophobicContact CD1-CB 3.84Å; L581-A611 HydrophobicContact CD2-CB 4.17Å; L581-A611 HydrophobicContact CG-CB 3.84Å; I609-A611 PolarHBondContact O-N 3.21Å |
| 612 | R | 88.4 | Confident | 88.4 | Confident | 99 Ų | 99 | 19.8 Ų | 19.8 | 37% | 0.374 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5.1 | 179.1 | -54.6 | 171.5 | -64.8 | 179 | 0.8 | 113.1 | G377 D610 | G377-R612 PolarHBondContact O-NH2 3.49Å; D610-R612 PolarHBondContact O-N 3.18Å; D610-R612 VanDerWaalsContact O-N 3.08Å; D610-R612 VanDerWaalsContact OD1-CB 3.28Å; D610-R612 WeakPolarHBondContact OD1-CB 3.41Å; D610-R612 WeakPolarHBondContact OD1-CG 3.25Å; D610-R612 IonicContact OD1-CZ 2.76Å; D610-R612 PolarHBondContact OD1-N 3.24Å; D610-R612 IonicContact OD1-NE 3.94Å; D610-R612 PolarHBondContact OD1-NE 2.79Å; D610-R612 IonicContact OD2-CZ 3.51Å; D610-R612 VanDerWaalsContact OD2-CZ 3.26Å; D610-R612 IonicContact OD2-NE 2.66Å; D610-R612 PolarHBondContact OD2-NE 3.14Å; D610-R612 IonicContact OD2-NH2 3.61Å; D610-R612 PolarHBondContact OD2-NH2 3.17Å |
| 613 | S | 92.2 | Very high | 89.9 | Confident | 29 Ų | 29 | 23.6 Ų | 23.6 | 20% | 0.203 | 13% | 0.128 | C | C | . | . | trans | -59.1 | 135.1 | -172.6 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | H27 D610 N615 L616 | H27-S613 PolarHBondContact CE1-O 3.46Å; H27-S613 VanDerWaalsContact CE1-O 3.31Å; D610-S613 WeakPolarHBondContact O-CB 3.35Å; D610-S613 PolarHBondContact O-N 3.25Å; S613-N615 PolarHBondContact O-N 3.02Å; S613-L616 PolarHBondContact O-N 2.96Å | ||
| 614 | T | 94.1 | Very high | 91.2 | Very high | 15 Ų | 15 | 27 Ų | 27 | 9% | 0.092 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 24.8 | -179.7 | 72.4 | 0 | 0 | 0 | 0 | 114.2 | H27 N237 Y617 | H27-T614 HydrophobicContact CB-CG2 4.26Å; N237-T614 HydrophobicContact CB-CG2 4.47Å; N237-T614 PolarHBondContact ND2-OG1 2.79Å; T614-Y617 PolarHBondContact O-OH 3.13Å |
| 615 | N | 95 | Very high | 92.2 | Very high | 53 Ų | 53 | 26.3 Ų | 26.3 | 28% | 0.283 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 6.7 | 178 | -76.1 | -36.8 | 0 | 0 | 0 | 112 | M548 V549 S613 | M548-N615 CarbonylContact C-O 3.57Å; M548-N615 VanDerWaalsContact CA-O 3.27Å; M548-N615 WeakPolarHBondContact CA-O 3.34Å; M548-N615 WeakPolarHBondContact CB-O 3.29Å; V549-N615 HydrophobicContact CB-CB 4.02Å; V549-N615 HydrophobicContact CG2-CB 3.84Å; V549-N615 WeakPolarHBondContact CG2-OD1 3.47Å; V549-N615 PolarHBondContact N-O 3.21Å; S613-N615 PolarHBondContact O-N 3.02Å |
| 616 | L | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.1 | 176.1 | -56.6 | -178.2 | 0 | 0 | 0 | 109.3 | F25 H27 L546 M548 L581 L583 I609 S613 | F25-L616 HydrophobicContact CD1-CB 4.06Å; F25-L616 WeakPolarHBondContact CD1-O 3.38Å; F25-L616 HydrophobicContact CE1-CB 3.91Å; H27-L616 PolarHBondContact CE1-O 2.9Å; H27-L616 PolarHBondContact NE2-O 3.02Å; L546-L616 HydrophobicContact CD1-CD2 4.29Å; M548-L616 HydrophobicContact CB-CD2 3.71Å; M548-L616 HydrophobicContact CE-CD2 4.28Å; M548-L616 HydrophobicContact SD-CD2 4.38Å; L581-L616 HydrophobicContact CD1-CD1 4.01Å; L583-L616 HydrophobicContact CD1-CD1 4.4Å; L583-L616 HydrophobicContact CD1-CD2 3.4Å; L583-L616 VanDerWaalsContact CD1-CD2 3.4Å; I609-L616 HydrophobicContact CD1-CD2 4.05Å; I609-L616 HydrophobicContact CD1-CG 4.32Å; I609-L616 HydrophobicContact CG2-CD1 4.18Å; I609-L616 HydrophobicContact CG2-CD2 4.3Å; S613-L616 PolarHBondContact O-N 2.96Å |
| 617 | Y | 97.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 148.5 | -173.2 | -57.1 | -73.7 | 0 | 0 | 0 | 111.3 | F25 H27 V28 R207 F234 L546 E547 V549 L567 T614 W621 | F25-Y617 VanDerWaalsContact CE1-C 3.43Å; F25-Y617 WeakPolarHBondContact CE1-O 3.4Å; F25-Y617 WeakPolarHBondContact CZ-O 3.46Å; H27-Y617 AromaticContact NE2-CD1 3.94Å; H27-Y617 AromaticContact NE2-CE1 3.48Å; H27-Y617 WeakPolarHBondContact NE2-CE1 3.49Å; V28-Y617 HydrophobicContact CG2-CD1 3.64Å; V28-Y617 HydrophobicContact CG2-CE1 4.2Å; R207-Y617 WeakPolarHBondContact CD-OH 3.49Å; R207-Y617 WeakPolarHBondContact CG-OH 3.29Å; R207-Y617 PolarHBondContact NH1-OH 2.73Å; F234-Y617 AromaticContact CD2-CE1 3.91Å; F234-Y617 HydrophobicContact CD2-CE1 3.91Å; F234-Y617 AromaticContact CE2-CE1 3.97Å; F234-Y617 HydrophobicContact CE2-CE1 3.97Å; L546-Y617 WeakPolarHBondContact CB-O 3.39Å; E547-Y617 PolarHBondContact N-O 3.37Å; E547-Y617 PolarHBondContact O-N 2.73Å; E547-Y617 VanDerWaalsContact O-O 3.13Å; V549-Y617 HydrophobicContact CG2-CE2 4.15Å; L567-Y617 HydrophobicContact CD1-CD2 3.57Å; L567-Y617 HydrophobicContact CD1-CE2 4.12Å; L567-Y617 HydrophobicContact CD1-CG 4.21Å; L567-Y617 HydrophobicContact CD2-CD2 3.84Å; L567-Y617 HydrophobicContact CD2-CE2 3.71Å; L567-Y617 HydrophobicContact CG-CD2 4.38Å; T614-Y617 PolarHBondContact O-OH 3.13Å; Y617-W621 AromaticContact CD1-CD2 3.78Å; Y617-W621 HydrophobicContact CD1-CD2 3.78Å; Y617-W621 AromaticContact CD1-CE2 3.84Å; Y617-W621 HydrophobicContact CD1-CE3 4.12Å; Y617-W621 HydrophobicContact CD1-CG 4.14Å; Y617-W621 HydrophobicContact CD1-CZ2 4.27Å; Y617-W621 HydrophobicContact CD2-CE3 4.45Å; Y617-W621 HydrophobicContact CE1-CD2 4.49Å; Y617-W621 HydrophobicContact CE1-CH2 4.47Å; Y617-W621 HydrophobicContact CE1-CZ2 4.2Å; Y617-W621 HydrophobicContact CG-CD2 4.01Å; Y617-W621 HydrophobicContact CG-CE3 4.03Å; Y617-W621 HydrophobicContact CG-CG 4.33Å |
| 618 | P | 96.5 | Very high | 93.2 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 5% | 0.045 | 18% | 0.176 | C | C | . | . | trans | -67.3 | 156 | 174.1 | 27.3 | -30.9 | 0 | 0 | 0 | 111.1 | F22 F25 V28 G620 W621 | F22-P618 HydrophobicContact CD2-CB 4.12Å; F22-P618 HydrophobicContact CD2-CG 3.61Å; F22-P618 HydrophobicContact CE2-CG 4.05Å; F25-P618 HydrophobicContact CD2-CB 3.69Å; F25-P618 HydrophobicContact CD2-CG 4.07Å; F25-P618 HydrophobicContact CE2-CB 3.68Å; F25-P618 HydrophobicContact CE2-CG 4.49Å; F25-P618 HydrophobicContact CG-CB 4.48Å; F25-P618 HydrophobicContact CG-CG 4.46Å; F25-P618 HydrophobicContact CZ-CB 4.45Å; V28-P618 HydrophobicContact CG1-CG 3.98Å; P618-G620 PolarHBondContact O-N 3.35Å; P618-W621 HydrophobicContact CG-CB 4.24Å; P618-W621 VanDerWaalsContact O-CB 3.27Å; P618-W621 WeakPolarHBondContact O-CB 3.33Å; P618-W621 PolarHBondContact O-N 3.15Å; P618-W621 VanDerWaalsContact O-N 3.15Å | ||
| 619 | V | 94.7 | Very high | 93.1 | Very high | 29 Ų | 29 | 32 Ų | 32 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 127.6 | 175 | 166 | 0 | 0 | 0 | 0 | 110.8 | W8 L12 I19 K545 | W8-V619 HydrophobicContact CB-CG1 3.93Å; W8-V619 HydrophobicContact CD2-CB 4.4Å; W8-V619 HydrophobicContact CD2-CG1 3.38Å; W8-V619 HydrophobicContact CD2-CG2 4.44Å; W8-V619 HydrophobicContact CE3-CG1 3.74Å; W8-V619 HydrophobicContact CE3-CG2 4.36Å; W8-V619 HydrophobicContact CG-CG1 3.51Å; W8-V619 HydrophobicContact CH2-CG1 4.5Å; W8-V619 HydrophobicContact CH2-CG2 3.79Å; W8-V619 HydrophobicContact CZ2-CB 4.41Å; W8-V619 HydrophobicContact CZ2-CG1 4.21Å; W8-V619 HydrophobicContact CZ2-CG2 3.88Å; W8-V619 HydrophobicContact CZ3-CG1 4.29Å; W8-V619 HydrophobicContact CZ3-CG2 4.06Å; L12-V619 HydrophobicContact CD1-CG1 4.17Å; I19-V619 HydrophobicContact CB-CB 4.1Å; I19-V619 HydrophobicContact CB-CG2 4.03Å; I19-V619 HydrophobicContact CG2-CB 3.81Å; I19-V619 HydrophobicContact CG2-CG1 3.78Å; I19-V619 HydrophobicContact CG2-CG2 3.86Å; K545-V619 HydrophobicContact CB-CG2 4.11Å |
| 620 | G | 92.2 | Very high | 93 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 23% | 0.227 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -0.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E547 P618 E623 F624 | E547-G620 WeakPolarHBondContact OE1-CA 3.49Å; E547-G620 PolarHBondContact OE1-N 2.84Å; P618-G620 PolarHBondContact O-N 3.35Å; G620-E623 PolarHBondContact O-N 3.25Å; G620-F624 PolarHBondContact O-N 3.25Å |
| 621 | W | 95 | Very high | 92.7 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -49.1 | 175.9 | -179.1 | 87.5 | 0 | 0 | 0 | 111.3 | V28 F32 G205 R207 F234 L567 Y617 P618 E623 F624 V625 H627 | V28-W621 VanDerWaalsContact CG1-CD1 3.46Å; F32-W621 AromaticContact CE2-CD1 3.81Å; F32-W621 AromaticContact CE2-NE1 3.71Å; G205-W621 WeakPolarHBondContact O-CZ2 3.35Å; R207-W621 HydrophobicContact CB-CH2 4.41Å; R207-W621 VanDerWaalsContact CD-CH2 3.44Å; R207-W621 HydrophobicContact CG-CH2 3.72Å; R207-W621 HydrophobicContact CG-CZ2 4.28Å; F234-W621 HydrophobicContact CE2-CZ2 4.18Å; L567-W621 HydrophobicContact CD1-CE3 3.58Å; L567-W621 HydrophobicContact CD1-CZ3 3.68Å; Y617-W621 AromaticContact CD1-CD2 3.78Å; Y617-W621 HydrophobicContact CD1-CD2 3.78Å; Y617-W621 AromaticContact CD1-CE2 3.84Å; Y617-W621 HydrophobicContact CD1-CE3 4.12Å; Y617-W621 HydrophobicContact CD1-CG 4.14Å; Y617-W621 HydrophobicContact CD1-CZ2 4.27Å; Y617-W621 HydrophobicContact CD2-CE3 4.45Å; Y617-W621 HydrophobicContact CE1-CD2 4.49Å; Y617-W621 HydrophobicContact CE1-CH2 4.47Å; Y617-W621 HydrophobicContact CE1-CZ2 4.2Å; Y617-W621 HydrophobicContact CG-CD2 4.01Å; Y617-W621 HydrophobicContact CG-CE3 4.03Å; Y617-W621 HydrophobicContact CG-CG 4.33Å; P618-W621 HydrophobicContact CG-CB 4.24Å; P618-W621 VanDerWaalsContact O-CB 3.27Å; P618-W621 WeakPolarHBondContact O-CB 3.33Å; P618-W621 PolarHBondContact O-N 3.15Å; P618-W621 VanDerWaalsContact O-N 3.15Å; W621-E623 PolarHBondContact O-N 2.79Å; W621-F624 PolarHBondContact O-N 2.91Å; W621-V625 HydrophobicContact CD2-CG2 4.12Å; W621-V625 HydrophobicContact CE3-CG2 3.95Å; W621-V625 HydrophobicContact CH2-CG2 3.65Å; W621-V625 HydrophobicContact CZ2-CG1 4.31Å; W621-V625 HydrophobicContact CZ2-CG2 3.87Å; W621-V625 HydrophobicContact CZ3-CG2 3.71Å; W621-V625 WeakPolarHBondContact O-CG2 3.41Å; W621-V625 PolarHBondContact O-N 2.95Å; W621-H627 HydrophobicContact CE3-CB 4.41Å; W621-H627 HydrophobicContact CH2-CB 4.3Å; W621-H627 HydrophobicContact CZ3-CB 3.63Å; W621-H627 AromaticContact CZ3-CD2 3.84Å; W621-H627 AromaticContact CZ3-CG 3.8Å |
| 622 | S | 94.3 | Very high | 92.4 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.3 | -48.3 | 177.1 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | E547 G626 H627 | E547-S622 PolarHBondContact OE1-OG 3.49Å; E547-S622 WeakPolarHBondContact OE2-CB 3.38Å; E547-S622 PolarHBondContact OE2-N 2.93Å; E547-S622 PolarHBondContact OE2-OG 3.49Å; S622-G626 CarbonylContact O-C 3.42Å; S622-G626 WeakPolarHBondContact O-CA 3.4Å; S622-G626 PolarHBondContact O-N 2.92Å; S622-H627 WeakPolarHBondContact CB-O 3.42Å; S622-H627 PolarHBondContact O-N 3.32Å |
| 623 | E | 91.7 | Very high | 91.6 | Very high | 110 Ų | 110 | 30.7 Ų | 30.7 | 51% | 0.514 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 178.1 | -173.2 | 172 | -175.3 | 0 | 0 | 111.6 | G620 W621 | G620-E623 PolarHBondContact O-N 3.25Å; W621-E623 PolarHBondContact O-N 2.79Å |
| 624 | F | 91.2 | Very high | 90.3 | Very high | 78 Ų | 78 | 32.2 Ų | 32.2 | 34% | 0.342 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.7 | -41.6 | 180 | -173.7 | -85.4 | 0 | 0 | 0 | 113.5 | F32 Y72 Y173 G620 W621 | F32-F624 HydrophobicContact CD1-CE1 4.36Å; F32-F624 AromaticContact CE1-CD1 3.5Å; F32-F624 HydrophobicContact CE1-CD1 3.5Å; F32-F624 VanDerWaalsContact CE1-CD1 3.5Å; F32-F624 AromaticContact CE1-CE1 3.4Å; F32-F624 HydrophobicContact CE1-CE1 3.4Å; F32-F624 VanDerWaalsContact CE1-CE1 3.4Å; F32-F624 HydrophobicContact CE1-CG 4.17Å; F32-F624 HydrophobicContact CE1-CZ 4Å; F32-F624 AromaticContact CZ-CD1 3.57Å; F32-F624 HydrophobicContact CZ-CD1 3.57Å; F32-F624 AromaticContact CZ-CE1 3.87Å; F32-F624 HydrophobicContact CZ-CE1 3.87Å; F32-F624 HydrophobicContact CZ-CG 4.33Å; Y72-F624 HydrophobicContact CD2-CZ 4.23Å; Y72-F624 AromaticContact CE2-CE1 3.95Å; Y72-F624 HydrophobicContact CE2-CE1 3.95Å; Y72-F624 AromaticContact CE2-CZ 3.74Å; Y72-F624 HydrophobicContact CE2-CZ 3.74Å; Y173-F624 HydrophobicContact CD2-CE1 4.49Å; Y173-F624 AromaticContact CE2-CE1 3.87Å; Y173-F624 HydrophobicContact CE2-CE1 3.87Å; Y173-F624 AromaticContact CE2-CZ 3.72Å; Y173-F624 HydrophobicContact CE2-CZ 3.72Å; Y173-F624 AromaticContact CZ-CZ 3.99Å; G620-F624 PolarHBondContact O-N 3.25Å; W621-F624 PolarHBondContact O-N 2.91Å |
| 625 | V | 92.5 | Very high | 89.2 | Confident | 26 Ų | 26 | 32.2 Ų | 32.2 | 16% | 0.158 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -93.7 | -7.6 | -176.3 | -51.1 | 0 | 0 | 0 | 0 | 113.6 | F32 F175 I204 W621 H627 | F32-V625 HydrophobicContact CE2-CG1 4.43Å; F32-V625 HydrophobicContact CZ-CG1 4.07Å; F175-V625 HydrophobicContact CZ-CG1 4.41Å; I204-V625 HydrophobicContact CG2-CB 4.3Å; I204-V625 HydrophobicContact CG2-CG2 3.77Å; I204-V625 WeakPolarHBondContact CG2-O 3.48Å; W621-V625 HydrophobicContact CD2-CG2 4.12Å; W621-V625 HydrophobicContact CE3-CG2 3.95Å; W621-V625 HydrophobicContact CH2-CG2 3.65Å; W621-V625 HydrophobicContact CZ2-CG1 4.31Å; W621-V625 HydrophobicContact CZ2-CG2 3.87Å; W621-V625 HydrophobicContact CZ3-CG2 3.71Å; W621-V625 WeakPolarHBondContact O-CG2 3.41Å; W621-V625 PolarHBondContact O-N 2.95Å; V625-H627 HydrophobicContact CG2-CB 3.82Å |
| 626 | G | 91.6 | Very high | 87.4 | Confident | 56 Ų | 56 | 34.8 Ų | 34.8 | 58% | 0.577 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 24.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S622 | S622-G626 CarbonylContact O-C 3.42Å; S622-G626 WeakPolarHBondContact O-CA 3.4Å; S622-G626 PolarHBondContact O-N 2.92Å |
| 627 | H | 93.2 | Very high | 85.2 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | trans | -80.1 | 137.8 | 175.6 | -164.6 | -71.3 | 0 | 0 | 0 | 110.4 | I204 R207 I563 W621 S622 V625 L629 | I204-H627 HydrophobicContact CG2-CB 3.85Å; R207-H627 PolarHBondContact NE-NE2 2.81Å; R207-H627 VanDerWaalsContact NE-NE2 3.11Å; I563-H627 WeakPolarHBondContact CG2-NE2 3.46Å; W621-H627 HydrophobicContact CE3-CB 4.41Å; W621-H627 HydrophobicContact CH2-CB 4.3Å; W621-H627 HydrophobicContact CZ3-CB 3.63Å; W621-H627 AromaticContact CZ3-CD2 3.84Å; W621-H627 AromaticContact CZ3-CG 3.8Å; S622-H627 WeakPolarHBondContact CB-O 3.42Å; S622-H627 PolarHBondContact O-N 3.32Å; V625-H627 HydrophobicContact CG2-CB 3.82Å; H627-L629 PolarHBondContact O-N 2.87Å | ||
| 628 | P | 92 | Very high | 82.7 | Confident | 53 Ų | 53 | 46 Ų | 46 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | trans | -59.4 | 136.6 | 174 | -29 | 38.9 | 0 | 0 | 0 | 113.1 | C561 A566 L567 | C561-P628 HydrophobicContact CB-CB 4.47Å; C561-P628 HydrophobicContact CB-CG 4.03Å; A566-P628 HydrophobicContact CB-CB 3.91Å; L567-P628 PolarHBondContact N-O 3.41Å | ||
| 629 | L | 91.4 | Very high | 79.9 | Confident | 38 Ų | 38 | 53.7 Ų | 53.7 | 20% | 0.199 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.8 | 177 | -178.1 | 72 | 0 | 0 | 0 | 109.4 | F6 E547 L567 T569 H627 | F6-L629 HydrophobicContact CD1-CD2 3.62Å; F6-L629 HydrophobicContact CE1-CD2 3.85Å; E547-L629 HydrophobicContact CG-CD1 3.99Å; L567-L629 HydrophobicContact CB-CD1 3.84Å; L567-L629 CarbonylContact O-C 3.49Å; L567-L629 WeakPolarHBondContact O-CA 3.43Å; T569-L629 HydrophobicContact CG2-CD1 4.3Å; T569-L629 HydrophobicContact CG2-CD2 4.3Å; H627-L629 PolarHBondContact O-N 2.87Å |
| 630 | I | 90 | Very high | 77.1 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124 | 173.9 | -57.5 | 156.8 | 0 | 0 | 0 | 107.6 | P550 H559 A566 L567 C568 P588 | P550-I630 HydrophobicContact CG-CD1 4.29Å; H559-I630 HydrophobicContact CB-CD1 3.82Å; H559-I630 HydrophobicContact CB-CG1 4.41Å; A566-I630 HydrophobicContact CB-CD1 4.29Å; A566-I630 HydrophobicContact CB-CG1 3.98Å; L567-I630 WeakPolarHBondContact O-CB 3.3Å; L567-I630 WeakPolarHBondContact O-CG1 3.33Å; L567-I630 PolarHBondContact O-N 3.31Å; C568-I630 HydrophobicContact CB-CB 4.4Å; C568-I630 HydrophobicContact CB-CD1 4.12Å; P588-I630 HydrophobicContact CG-CG2 4.37Å |
| 631 | P | 85.7 | Confident | 74.3 | Confident | 53 Ų | 53 | 62.9 Ų | 62.9 | 34% | 0.344 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 149.6 | 176.8 | 28.1 | -34.7 | 0 | 0 | 0 | 111.3 | F6 P588 | F6-P631 HydrophobicContact CB-CB 4.18Å; F6-P631 HydrophobicContact CD2-CB 4.31Å; F6-P631 HydrophobicContact CG-CB 4.47Å; P588-P631 WeakPolarHBondContact CD-O 3.45Å; P588-P631 WeakPolarHBondContact CG-O 3.28Å |
| 632 | P | 84.6 | Confident | 71.3 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 3% | 0.032 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 153.7 | 172.9 | -20.6 | 30.8 | 0 | 0 | 0 | 112.9 | F6 Y11 T569 D586 G634 Y635 | F6-P632 VanDerWaalsContact CD2-CD 3.44Å; F6-P632 HydrophobicContact CD2-CG 4.31Å; F6-P632 HydrophobicContact CE2-CG 3.58Å; F6-P632 HydrophobicContact CZ-CG 3.97Å; Y11-P632 HydrophobicContact CD2-CG 4.03Å; Y11-P632 HydrophobicContact CE2-CB 3.87Å; Y11-P632 HydrophobicContact CE2-CG 3.6Å; T569-P632 HydrophobicContact CG2-CG 4.02Å; D586-P632 HydrophobicContact CB-CB 4.21Å; D586-P632 WeakPolarHBondContact O-CA 3.48Å; P632-G634 PolarHBondContact O-N 2.92Å; P632-Y635 WeakPolarHBondContact O-CB 3.3Å; P632-Y635 PolarHBondContact O-N 3.13Å |
| 633 | S | 72.2 | Confident | 68.2 | Low | 41 Ų | 41 | 71.9 Ų | 71.9 | 29% | 0.287 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | 134.6 | 166.7 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | I587 P588 Y635 | I587-S633 PolarHBondContact O-OG 3.25Å; P588-S633 WeakPolarHBondContact CA-OG 3.41Å; S633-Y635 PolarHBondContact O-N 2.69Å |
| 634 | G | 65 | Low | 65.2 | Low | 61 Ų | 61 | 71.9 Ų | 71.9 | 63% | 0.629 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | -0.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | P632 D636 R837 | P632-G634 PolarHBondContact O-N 2.92Å; G634-D636 PolarHBondContact O-N 2.8Å; G634-R837 WeakPolarHBondContact O-CB 3.46Å |
| 635 | Y | 71 | Confident | 62.3 | Low | 14 Ų | 14 | 77.1 Ų | 77.1 | 6% | 0.055 | 44% | 0.441 | C | S | . | . | trans | -97.6 | 31.9 | 179.9 | -128.4 | -97.3 | 0 | 0 | 0 | 113.8 | F6 V10 Y11 E14 P632 S633 R837 | F6-Y635 AromaticContact CD2-CD1 3.63Å; F6-Y635 HydrophobicContact CD2-CD1 3.63Å; F6-Y635 HydrophobicContact CD2-CE1 4.23Å; F6-Y635 HydrophobicContact CD2-CG 4.31Å; F6-Y635 AromaticContact CE2-CD1 3.83Å; F6-Y635 HydrophobicContact CE2-CD1 3.83Å; F6-Y635 HydrophobicContact CE2-CE1 4.22Å; F6-Y635 HydrophobicContact CE2-CG 4.28Å; V10-Y635 WeakPolarHBondContact CG1-OH 3.38Å; Y11-Y635 WeakPolarHBondContact CA-OH 3.43Å; Y11-Y635 HydrophobicContact CD2-CD1 4.38Å; Y11-Y635 AromaticContact CD2-CD2 3.62Å; Y11-Y635 HydrophobicContact CD2-CD2 3.62Å; Y11-Y635 HydrophobicContact CD2-CE1 4.29Å; Y11-Y635 AromaticContact CD2-CE2 3.56Å; Y11-Y635 HydrophobicContact CD2-CE2 3.56Å; Y11-Y635 HydrophobicContact CD2-CG 4.05Å; Y11-Y635 AromaticContact CD2-CZ 3.91Å; Y11-Y635 AromaticContact CE2-CD2 4Å; Y11-Y635 HydrophobicContact CE2-CD2 4Å; Y11-Y635 HydrophobicContact CE2-CE2 4.24Å; Y11-Y635 PolarHBondContact N-OH 3.23Å; E14-Y635 PolarHBondContact OE2-OH 2.98Å; P632-Y635 WeakPolarHBondContact O-CB 3.3Å; P632-Y635 PolarHBondContact O-N 3.13Å; S633-Y635 PolarHBondContact O-N 2.69Å; Y635-R837 HydrophobicContact CD2-CB 4.34Å; Y635-R837 HydrophobicContact CD2-CG 4.12Å; Y635-R837 HydrophobicContact CE2-CB 4.48Å; Y635-R837 VanDerWaalsContact CE2-CD 3.46Å; Y635-R837 HydrophobicContact CE2-CG 3.79Å; Y635-R837 PolarHBondContact OH-NE 3.24Å; Y635-R837 PolarHBondContact OH-NH2 3.23Å | ||
| 636 | D | 56.8 | Low | 59.2 | Low | 107 Ų | 107 | 80.5 Ų | 80.5 | 57% | 0.572 | 47% | 0.472 | S | S | * | . | trans | -78.4 | 127.7 | -178 | -167.2 | -0.6 | 0 | 0 | 0 | 111.5 | G634 R638 | G634-D636 PolarHBondContact O-N 2.8Å; D636-R638 PolarHBondContact O-N 2.7Å; D636-R638 WeakPolarHBondContact OD1-CG 3.45Å | ||
| 637 | T | 50.6 | Low | 56.3 | Low | 40 Ų | 40 | 87.1 Ų | 87.1 | 25% | 0.245 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 5.7 | -166.5 | -24.2 | 0 | 0 | 0 | 0 | 114.8 | M4 | M4-T637 HydrophobicContact CB-CG2 3.59Å; M4-T637 HydrophobicContact CG-CG2 3.98Å; M4-T637 WeakPolarHBondContact O-CG2 3.47Å; M4-T637 PolarHBondContact O-OG1 2.82Å |
| 638 | R | 43.9 | Very low | 53.3 | Low | 196 Ų | 196 | 96.5 Ų | 96.5 | 74% | 0.74 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -22.5 | -166.1 | -59 | -177.2 | 78.8 | 158 | 3.7 | 114.3 | D636 S640 | D636-R638 PolarHBondContact O-N 2.7Å; D636-R638 WeakPolarHBondContact OD1-CG 3.45Å; R638-S640 VanDerWaalsContact C-N 3.35Å; R638-S640 PolarHBondContact O-N 3.16Å |
| 639 | E | 38.9 | Very low | 50.3 | Low | 168 Ų | 168 | 99.7 Ų | 99.7 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -74.1 | -21 | -174 | -61.4 | -159.1 | 131.5 | 0 | 0 | 114.4 | F641 S642 | E639-F641 PolarHBondContact O-N 2.85Å; E639-S642 PolarHBondContact O-N 2.82Å |
| 640 | S | 35.9 | Very low | 47.3 | Very low | 74 Ų | 74 | 108.1 Ų | 108.1 | 52% | 0.517 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -66.8 | -10.4 | -173.6 | -54.5 | 0 | 0 | 0 | 0 | 115.5 | R638 | R638-S640 VanDerWaalsContact C-N 3.35Å; R638-S640 PolarHBondContact O-N 3.16Å |
| 641 | F | 33.7 | Very low | 44.7 | Very low | 170 Ų | 170 | 115 Ų | 115 | 75% | 0.746 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -107.8 | -13.3 | -179.6 | -77.5 | -83.1 | 0 | 0 | 0 | 114.6 | E639 S643 | E639-F641 PolarHBondContact O-N 2.85Å; F641-S643 VanDerWaalsContact C-N 3.34Å; F641-S643 PolarHBondContact O-N 2.82Å |
| 642 | S | 31.1 | Very low | 42 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 73% | 0.734 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 12.5 | -165.7 | -54.3 | 0 | 0 | 0 | 0 | 115.5 | E639 | E639-S642 PolarHBondContact O-N 2.82Š|
| 643 | S | 28.9 | Very low | 39.6 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 66% | 0.657 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.8 | 7.7 | -167.6 | 60.3 | 0 | 0 | 0 | 0 | 116.7 | F641 | F641-S643 VanDerWaalsContact C-N 3.34Å; F641-S643 PolarHBondContact O-N 2.82Å |
| 644 | V | 30.1 | Very low | 37.6 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 67% | 0.673 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -119.1 | -20.4 | -175.6 | -179.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 645 | H | 28.8 | Very low | 36.1 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 87% | 0.87 | 71% | 0.71 | S | S | * | * | trans | -124.3 | 84.4 | 176.9 | -70 | -60.6 | 0 | 0 | 0 | 112 | ||||
| 646 | A | 27.5 | Very low | 34.4 | Very low | 97 Ų | 97 | 145 Ų | 145 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | trans | -141 | 29.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 647 | E | 31.8 | Very low | 33.2 | Very low | 194 Ų | 194 | 148.2 Ų | 148.2 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | -102.4 | 133 | 169.3 | -68.8 | -150.5 | 126.3 | 0 | 0 | 111.7 | ||||
| 648 | K | 29.1 | Very low | 32.1 | Very low | 204 Ų | 204 | 151.2 Ų | 151.2 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -61.9 | 138 | -164.4 | -55.7 | 150.4 | -178.5 | 171 | 0 | 113.2 | ||||
| 649 | S | 29.8 | Very low | 31.6 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -142.5 | 130.9 | 130.5 | 42.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 650 | Y | 28.8 | Very low | 31.2 | Very low | 215 Ų | 215 | 146.6 Ų | 146.6 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -97.5 | 133 | 156.2 | -87.3 | -106 | 0 | 0 | 0 | 105.4 | ||||
| 651 | D | 33.9 | Very low | 31 | Very low | 157 Ų | 157 | 149.1 Ų | 149.1 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | -164.7 | 158.9 | 126.5 | -106.7 | -33.9 | 0 | 0 | 0 | 110.3 | |||||
| 652 | N | 30.2 | Very low | 30.5 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -89.5 | 156.5 | -170.3 | -48.8 | -70.8 | 0 | 0 | 0 | 112.2 | ||||
| 653 | N | 33.2 | Very low | 30.3 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | -166.9 | 158.8 | 120.4 | -93 | -30.4 | 0 | 0 | 0 | 111.3 | |||||
| 654 | E | 30.6 | Very low | 30.4 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | -100 | -174.5 | -173.4 | -59.8 | 177.5 | 124.6 | 0 | 0 | 112 | ||||
| 655 | N | 33.8 | Very low | 30.1 | Very low | 148 Ų | 148 | 154.6 Ų | 154.6 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | trans | 79.6 | 144.5 | 178.9 | -46 | -24 | 0 | 0 | 0 | 114.5 | ||||
| 656 | E | 34.5 | Very low | 30 | Very low | 185 Ų | 185 | 154.6 Ų | 154.6 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | cis | -147.6 | -171.2 | 7.2 | -143.3 | 162.6 | -133.7 | 0 | 0 | 112.6 | ||||
| 657 | E | 31.5 | Very low | 29.9 | Very low | 174 Ų | 174 | 158.7 Ų | 158.7 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | -90.8 | 148 | -157.6 | -87.9 | -170.6 | 103.3 | 0 | 0 | 118.9 | ||||
| 658 | S | 28.5 | Very low | 29.6 | Very low | 103 Ų | 103 | 155.9 Ų | 155.9 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | 71.3 | 132.8 | 140 | 77.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 659 | T | 32.6 | Very low | 29.3 | Very low | 135 Ų | 135 | 152.7 Ų | 152.7 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | -173.3 | 156.9 | 113.8 | -73.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 660 | T | 30.1 | Very low | 29.1 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -79.8 | 159.5 | -163.5 | 46.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 661 | P | 32.5 | Very low | 29 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -93.1 | 145.2 | -177.9 | 36.2 | -34.9 | 0 | 0 | 0 | 114.8 | ||||
| 662 | S | 24.2 | Very low | 28.7 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -160.2 | 125.5 | 158.7 | 64.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 663 | T | 26.1 | Very low | 28.4 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | trans | 45.8 | 107.3 | 136.9 | -46.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 664 | Q | 30.4 | Very low | 28 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | -146.4 | 126.8 | 126.4 | -129.1 | 175.2 | 96.2 | 0 | 0 | 112 | |||||
| 665 | L | 24 | Very low | 27.9 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -126.4 | 99.3 | -171.7 | -156.8 | 176 | 0 | 0 | 0 | 108.6 | ||||
| 666 | K | 27.7 | Very low | 27.6 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -153.8 | 131.5 | 171.5 | -107.8 | 171.7 | -175.7 | 175.4 | 0 | 110.9 | ||||
| 667 | K | 25.2 | Very low | 27.2 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | 10.2 | 122.5 | 134.6 | -69.1 | -173.2 | 174.3 | -169.4 | 0 | 114.9 | ||||
| 668 | D | 25.1 | Very low | 27.2 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | -150.7 | 131.3 | 50.9 | -77 | -50.3 | 0 | 0 | 0 | 113.6 | C670 | D668-C670 VanDerWaalsContact C-N 3.31Å; D668-C670 PolarHBondContact O-N 2.65Å; D668-C670 VanDerWaalsContact O-N 3.09Å | |||
| 669 | C | 22.8 | Very low | 27.3 | Very low | 137 Ų | 137 | 134 Ų | 134 | 93% | 0.926 | 75% | 0.753 | S | S | * | * | trans | -84.2 | 70.7 | 171.3 | -68.9 | 0 | 0 | 0 | 0 | 111.1 | I671 | C669-I671 PolarHBondContact O-N 3.04Š| ||
| 670 | C | 26.1 | Very low | 27.2 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | -68.1 | 123.1 | 170.4 | -70.5 | 0 | 0 | 0 | 0 | 110.4 | D668 P672 | D668-C670 VanDerWaalsContact C-N 3.31Å; D668-C670 PolarHBondContact O-N 2.65Å; D668-C670 VanDerWaalsContact O-N 3.09Å; C670-P672 WeakPolarHBondContact O-CD 3.37Å | ||
| 671 | I | 25 | Very low | 27.2 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | trans | -69.7 | 120.8 | -178.2 | -53.4 | 165.3 | 0 | 0 | 0 | 108.9 | C669 G673 | C669-I671 PolarHBondContact O-N 3.04Å; I671-G673 PolarHBondContact O-N 3.42Å | ||
| 672 | P | 27.6 | Very low | 27.1 | Very low | 131 Ų | 131 | 131 Ų | 131 | 85% | 0.851 | 71% | 0.712 | S | S | * | * | trans | -77.9 | 56.3 | 169.4 | 34.2 | -34.7 | 0 | 0 | 0 | 110.1 | C670 G674 | C670-P672 WeakPolarHBondContact O-CD 3.37Å; P672-G674 PolarHBondContact O-N 2.77Å | ||
| 673 | G | 24.6 | Very low | 27.3 | Very low | 62 Ų | 62 | 129.6 Ų | 129.6 | 64% | 0.639 | 70% | 0.703 | S | S | * | * | trans | -77.8 | 48.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I671 L675 | I671-G673 PolarHBondContact O-N 3.42Å; G673-L675 PolarHBondContact O-N 2.96Å | ||
| 674 | G | 24.4 | Very low | 27.7 | Very low | 66 Ų | 66 | 130.7 Ų | 130.7 | 68% | 0.68 | 69% | 0.693 | S | S | * | * | trans | -75.3 | 101 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | P672 K676 | P672-G674 PolarHBondContact O-N 2.77Å; G674-K676 PolarHBondContact O-N 3.36Å | ||
| 675 | L | 29.7 | Very low | 27.7 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 57% | 0.571 | 69% | 0.686 | S | S | * | * | trans | -59 | 99.7 | 163.7 | -85.7 | 161.6 | 0 | 0 | 0 | 108.8 | Y72 K112 G673 | Y72-L675 HydrophobicContact CD2-CD1 3.99Å; K112-L675 HydrophobicContact CB-CD1 3.86Å; K112-L675 HydrophobicContact CG-CD1 4.14Å; G673-L675 PolarHBondContact O-N 2.96Å | ||
| 676 | K | 26.9 | Very low | 28.5 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 53% | 0.53 | 66% | 0.66 | S | S | . | * | trans | -62.7 | 141.3 | 168.3 | -73.8 | -173.7 | 176.1 | 178.2 | 0 | 109 | G674 T678 Y684 | G674-K676 PolarHBondContact O-N 3.36Å; K676-T678 PolarHBondContact O-N 3.05Å; K676-Y684 PolarHBondContact NZ-OH 3.41Å | ||
| 677 | R | 26.9 | Very low | 29.1 | Very low | 178 Ų | 178 | 119.3 Ų | 119.3 | 67% | 0.672 | 65% | 0.651 | S | S | * | * | trans | -62.2 | 139 | 175.6 | -63.8 | -176.6 | 179.2 | 113.3 | -9.8 | 109.3 | H679 E680 | R677-H679 PolarHBondContact O-N 3.04Å; R677-E680 HydrophobicContact CB-CG 4.37Å; R677-E680 IonicContact NH1-OE1 2.66Å; R677-E680 PolarHBondContact O-N 3.05Å | ||
| 678 | T | 30.7 | Very low | 30.6 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 64% | 0.638 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -22.9 | 179.4 | 38.9 | 0 | 0 | 0 | 0 | 113.7 | K676 | K676-T678 PolarHBondContact O-N 3.05Š|
| 679 | H | 30.2 | Very low | 31.9 | Very low | 147 Ų | 147 | 115 Ų | 115 | 68% | 0.681 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -20 | 172.4 | -78.5 | -69.2 | 0 | 0 | 0 | 115.2 | R677 L681 Q682 | R677-H679 PolarHBondContact O-N 3.04Å; H679-L681 VanDerWaalsContact C-N 3.31Å; H679-L681 PolarHBondContact O-N 3.22Å; H679-Q682 PolarHBondContact ND1-OE1 2.88Å |
| 680 | E | 30.4 | Very low | 33.9 | Very low | 83 Ų | 83 | 117 Ų | 117 | 39% | 0.388 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -77.2 | -20.2 | -179.7 | -70.7 | 169.1 | -157.4 | 0 | 0 | 112.3 | R677 Q682 S683 | R677-E680 HydrophobicContact CB-CG 4.37Å; R677-E680 IonicContact NH1-OE1 2.66Å; R677-E680 PolarHBondContact O-N 3.05Å; E680-Q682 PolarHBondContact O-N 3.33Å; E680-S683 PolarHBondContact O-N 3.17Å; E680-S683 PolarHBondContact O-OG 3.32Å |
| 681 | L | 31.2 | Very low | 36.2 | Very low | 87 Ų | 87 | 117.6 Ų | 117.6 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -66.8 | -18 | 175.9 | -67.6 | 174.5 | 0 | 0 | 0 | 113.5 | H679 S683 | H679-L681 VanDerWaalsContact C-N 3.31Å; H679-L681 PolarHBondContact O-N 3.22Å; L681-S683 PolarHBondContact O-N 3.26Å |
| 682 | Q | 30.7 | Very low | 39.2 | Very low | 160 Ų | 160 | 112.9 Ų | 112.9 | 75% | 0.748 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -81.7 | 15.5 | 179.8 | -59.6 | -174.6 | -69.9 | 0 | 0 | 114 | H679 E680 | H679-Q682 PolarHBondContact ND1-OE1 2.88Å; E680-Q682 PolarHBondContact O-N 3.33Å |
| 683 | S | 28.5 | Very low | 42.1 | Very low | 80 Ų | 80 | 112.6 Ų | 112.6 | 56% | 0.559 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -133.4 | 8.6 | -172.2 | 67.7 | 0 | 0 | 0 | 0 | 116.5 | E680 L681 I685 | E680-S683 PolarHBondContact O-N 3.17Å; E680-S683 PolarHBondContact O-OG 3.32Å; L681-S683 PolarHBondContact O-N 3.26Å; S683-I685 VanDerWaalsContact C-N 3.26Å; S683-I685 PolarHBondContact O-N 3.2Å |
| 684 | Y | 32.6 | Very low | 45.3 | Very low | 154 Ų | 154 | 109.7 Ų | 109.7 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | trans | -81.7 | 69.1 | 170.6 | -74.8 | -69.1 | 0 | 0 | 0 | 111.9 | K676 I686 | K676-Y684 PolarHBondContact NZ-OH 3.41Å; Y684-I686 VanDerWaalsContact C-N 3.34Å; Y684-I686 PolarHBondContact O-N 3.26Å | ||
| 685 | I | 31.4 | Very low | 48.5 | Very low | 148 Ų | 148 | 108.2 Ų | 108.2 | 76% | 0.759 | 53% | 0.533 | S | S | * | . | trans | -69.6 | 90 | 173.8 | -54.7 | 177.6 | 0 | 0 | 0 | 109.1 | S683 | S683-I685 VanDerWaalsContact C-N 3.26Å; S683-I685 PolarHBondContact O-N 3.2Å | ||
| 686 | I | 41.3 | Very low | 51.5 | Low | 60 Ų | 60 | 104.8 Ų | 104.8 | 31% | 0.308 | 52% | 0.517 | S | S | . | . | trans | -65.5 | 126 | 168.8 | -58.4 | 174.4 | 0 | 0 | 0 | 107.6 | V10 Y684 Y688 | V10-I686 HydrophobicContact CG1-CD1 4.1Å; V10-I686 HydrophobicContact CG2-CD1 4.36Å; Y684-I686 VanDerWaalsContact C-N 3.34Å; Y684-I686 PolarHBondContact O-N 3.26Å; I686-Y688 HydrophobicContact CB-CE2 4.35Å; I686-Y688 WeakPolarHBondContact O-CD2 3.42Å; I686-Y688 WeakPolarHBondContact O-CE2 3.39Å; I686-Y688 PolarHBondContact O-N 2.82Å | ||
| 687 | P | 40.7 | Very low | 54.7 | Low | 96 Ų | 96 | 99 Ų | 99 | 62% | 0.623 | 49% | 0.492 | S | S | * | . | trans | -71.5 | 102.7 | -178.2 | 26 | -33 | 0 | 0 | 0 | 112 | T689 | P687-T689 HydrophobicContact CB-CG2 4.3Å; P687-T689 PolarHBondContact O-N 2.99Å; P687-T689 VanDerWaalsContact O-N 3.14Å | ||
| 688 | Y | 55.1 | Low | 57.9 | Low | 99 Ų | 99 | 92.7 Ų | 92.7 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | trans | -81.3 | 77.3 | 176.9 | -56.9 | -85 | 0 | 0 | 0 | 111.6 | I686 A809 R835 | I686-Y688 HydrophobicContact CB-CE2 4.35Å; I686-Y688 WeakPolarHBondContact O-CD2 3.42Å; I686-Y688 WeakPolarHBondContact O-CE2 3.39Å; I686-Y688 PolarHBondContact O-N 2.82Å; Y688-A809 HydrophobicContact CE1-CB 3.64Å; Y688-R835 VanDerWaalsContact CE1-NH2 3.3Å | ||
| 689 | T | 53.7 | Low | 60.9 | Low | 130 Ų | 130 | 88 Ų | 88 | 80% | 0.798 | 44% | 0.44 | S | S | * | . | trans | -118.1 | 1.5 | -169.1 | 56.1 | 0 | 0 | 0 | 0 | 116.7 | P687 | P687-T689 HydrophobicContact CB-CG2 4.3Å; P687-T689 PolarHBondContact O-N 2.99Å; P687-T689 VanDerWaalsContact O-N 3.14Å | ||
| 690 | K | 64.5 | Low | 63.6 | Low | 179 Ų | 179 | 82.3 Ų | 82.3 | 78% | 0.778 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -136 | 129 | -176.2 | -164.8 | 173.9 | -176.7 | 179.1 | 0 | 111.1 | E692 | K690-E692 PolarHBondContact O-N 3.26Š|
| 691 | E | 74 | Confident | 66.1 | Low | 121 Ų | 121 | 79 Ų | 79 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | trans | -66.2 | 128.4 | 170.2 | -73.9 | -167.8 | -153.6 | 0 | 0 | 109.5 | S725 R728 | E691-S725 WeakPolarHBondContact OE2-CB 3.31Å; E691-S725 PolarHBondContact OE2-OG 3.39Å; E691-R728 IonicContact OE1-NH2 2.71Å | ||
| 692 | E | 87.6 | Confident | 68.5 | Low | 55 Ų | 55 | 79.8 Ų | 79.8 | 26% | 0.257 | 40% | 0.397 | S | S | . | . | trans | -92.3 | 160.3 | 177 | -69.3 | 176.5 | -156.4 | 0 | 0 | 112.3 | K690 S725 V726 R835 T836 | K690-E692 PolarHBondContact O-N 3.26Å; E692-S725 WeakPolarHBondContact O-CA 3.31Å; E692-V726 HydrophobicContact CB-CG2 4.24Å; E692-V726 PolarHBondContact O-N 3.12Å; E692-R835 WeakPolarHBondContact OE1-CD 3.46Å; E692-R835 IonicContact OE1-CZ 3.35Å; E692-R835 IonicContact OE1-NE 2.96Å; E692-R835 IonicContact OE1-NH1 2.75Å; E692-R835 PolarHBondContact OE1-NH1 3.12Å; E692-R835 WeakPolarHBondContact OE2-CA 3.25Å; E692-T836 WeakPolarHBondContact CB-OG1 3.39Å; E692-T836 PolarHBondContact OE2-N 3.11Å; E692-T836 PolarHBondContact OE2-OG1 3.48Å | ||
| 693 | I | 89.8 | Confident | 71.2 | Confident | 125 Ų | 125 | 72.6 Ų | 72.6 | 64% | 0.641 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 114 | -177.5 | -57.5 | 177.8 | 0 | 0 | 0 | 109.7 | P723 T836 | I693-P723 HydrophobicContact CG2-CB 4.4Å; I693-T836 PolarHBondContact O-OG1 3.48Å; I693-T836 VanDerWaalsContact O-OG1 3.14Å |
| 694 | C | 91.8 | Very high | 73.9 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 130.1 | 173.2 | -152.6 | 0 | 0 | 0 | 0 | 111 | P723 G724 V726 V729 | C694-P723 VanDerWaalsContact O-CA 3.31Å; C694-P723 WeakPolarHBondContact O-CA 3.26Å; C694-P723 WeakPolarHBondContact O-CB 3.41Å; C694-G724 WeakPolarHBondContact CA-O 3.34Å; C694-G724 WeakPolarHBondContact CB-O 3.3Å; C694-G724 PolarHBondContact N-O 3.36Å; C694-G724 PolarHBondContact O-N 3.05Å; C694-V726 HydrophobicContact CB-CB 4.42Å; C694-V726 HydrophobicContact CB-CG2 3.92Å; C694-V729 HydrophobicContact CB-CB 4.09Å; C694-V729 HydrophobicContact CB-CG1 4.27Å; C694-V729 HydrophobicContact CB-CG2 4.01Å |
| 695 | P | 90.6 | Very high | 76.5 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 163.2 | 163.9 | 26.2 | -34.5 | 0 | 0 | 0 | 110.9 | I697 T836 V839 L859 | P695-I697 PolarHBondContact O-N 3.2Å; P695-T836 HydrophobicContact CG-CG2 4.44Å; P695-V839 HydrophobicContact CG-CG1 4.24Å; P695-L859 HydrophobicContact CB-CD2 4.2Å; P695-L859 HydrophobicContact CG-CD1 3.85Å; P695-L859 HydrophobicContact CG-CD2 3.7Å; P695-L859 HydrophobicContact CG-CG 4.41Å |
| 696 | P | 92.8 | Very high | 79.1 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 24% | 0.24 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 128.2 | 175.9 | 28.4 | -35.1 | 0 | 0 | 0 | 111 | Y698 Q720 F721 | P696-Y698 HydrophobicContact CB-CE2 3.87Å; P696-Y698 HydrophobicContact CG-CE2 3.91Å; P696-Q720 HydrophobicContact CB-CG 4.11Å; P696-F721 WeakPolarHBondContact CA-O 3.06Å |
| 697 | I | 94.5 | Very high | 81.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.2 | 175.5 | -57 | 161.3 | 0 | 0 | 0 | 108.4 | P695 Q720 F721 V729 M730 L733 V839 L857 L859 | P695-I697 PolarHBondContact O-N 3.2Å; I697-Q720 CarbonylContact O-C 3.49Å; I697-Q720 WeakPolarHBondContact O-CA 3.48Å; I697-F721 HydrophobicContact CB-CB 4.4Å; I697-F721 PolarHBondContact N-O 3.12Å; I697-F721 PolarHBondContact O-N 3.36Å; I697-V729 HydrophobicContact CD1-CG1 3.86Å; I697-M730 HydrophobicContact CD1-CE 3.74Å; I697-M730 HydrophobicContact CD1-SD 4.12Å; I697-L733 HydrophobicContact CD1-CD2 3.92Å; I697-L733 HydrophobicContact CG2-CD2 4.03Å; I697-V839 HydrophobicContact CD1-CG1 4Å; I697-V839 HydrophobicContact CG1-CG1 4.02Å; I697-L857 HydrophobicContact CG2-CB 4.42Å; I697-L859 HydrophobicContact CG1-CD2 3.99Å |
| 698 | Y | 94.4 | Very high | 83.6 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 18% | 0.18 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 144.1 | -178.8 | -58.3 | -86.2 | 0 | 0 | 0 | 112.4 | P696 R719 Q720 L857 S858 L859 P861 | P696-Y698 HydrophobicContact CB-CE2 3.87Å; P696-Y698 HydrophobicContact CG-CE2 3.91Å; Y698-R719 CarbonylContact C-O 3.44Å; Y698-R719 VanDerWaalsContact CA-O 3.28Å; Y698-R719 WeakPolarHBondContact CA-O 3.39Å; Y698-Q720 HydrophobicContact CD1-CB 4Å; Y698-Q720 HydrophobicContact CD1-CG 4.1Å; Y698-Q720 HydrophobicContact CE1-CB 3.98Å; Y698-Q720 HydrophobicContact CE1-CG 3.72Å; Y698-L857 WeakPolarHBondContact O-CA 3.28Å; Y698-S858 PolarHBondContact N-O 2.9Å; Y698-S858 PolarHBondContact O-N 3.02Å; Y698-S858 VanDerWaalsContact O-N 3.12Å; Y698-L859 WeakPolarHBondContact CE2-O 3.47Å; Y698-P861 HydrophobicContact CD1-CB 4.18Å; Y698-P861 HydrophobicContact CD2-CB 4.15Å; Y698-P861 HydrophobicContact CE1-CB 4.02Å; Y698-P861 HydrophobicContact CE2-CB 4Å; Y698-P861 HydrophobicContact CE2-CG 4.5Å; Y698-P861 HydrophobicContact CG-CB 4.24Å |
| 699 | I | 92.5 | Very high | 85.3 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 112.4 | 174.5 | -55.7 | -172.5 | 0 | 0 | 0 | 109.8 | S701 L714 L717 R719 F721 L733 L737 L856 L857 | I699-S701 PolarHBondContact O-N 2.91Å; I699-L714 HydrophobicContact CG2-CD1 4.24Å; I699-L714 HydrophobicContact CG2-CD2 4.02Å; I699-L714 HydrophobicContact CG2-CG 4.16Å; I699-L717 HydrophobicContact CD1-CB 4.49Å; I699-L717 HydrophobicContact CD1-CD1 4.23Å; I699-R719 PolarHBondContact N-O 2.82Å; I699-F721 HydrophobicContact CD1-CD2 4.25Å; I699-F721 HydrophobicContact CD1-CE2 3.62Å; I699-F721 HydrophobicContact CD1-CZ 4.45Å; I699-F721 HydrophobicContact CG1-CD2 4.49Å; I699-F721 HydrophobicContact CG1-CE2 4.31Å; I699-L733 HydrophobicContact CD1-CD1 4.39Å; I699-L737 HydrophobicContact CD1-CD2 4.18Å; I699-L856 HydrophobicContact CG2-CD1 4.28Å; I699-L857 HydrophobicContact CD1-CD2 4.42Å; I699-L857 HydrophobicContact CG1-CD2 3.83Å |
| 700 | N | 88.2 | Confident | 87.1 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | trans | -85.4 | 85.4 | 176.9 | -171.3 | -14.9 | 0 | 0 | 0 | 111.4 | R702 C703 L856 P862 | N700-R702 PolarHBondContact O-N 3.02Å; N700-R702 VanDerWaalsContact O-N 3.08Å; N700-R702 WeakPolarHBondContact OD1-CB 3.44Å; N700-R702 PolarHBondContact OD1-N 3.27Å; N700-C703 VanDerWaalsContact CG-SG 3.53Å; N700-C703 PolarHBondContact ND2-SG 3.08Å; N700-C703 VanDerWaalsContact O-CB 3.29Å; N700-C703 WeakPolarHBondContact O-CB 3.23Å; N700-C703 PolarHBondContact O-N 2.83Å; N700-L856 PolarHBondContact N-O 3.48Å; N700-P862 HydrophobicContact CB-CB 4.2Å | ||
| 701 | S | 83.1 | Confident | 88.2 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 4.2 | -179.4 | 90.5 | 0 | 0 | 0 | 0 | 115.4 | I699 K711 D715 | I699-S701 PolarHBondContact O-N 2.91Å; S701-K711 PolarHBondContact O-NZ 3.49Å; S701-D715 VanDerWaalsContact CB-OD1 3.29Å; S701-D715 WeakPolarHBondContact CB-OD1 3.48Å; S701-D715 PolarHBondContact OG-OD1 2.72Å |
| 702 | R | 80.1 | Confident | 89 | Confident | 103 Ų | 103 | 37.6 Ų | 37.6 | 39% | 0.389 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -25.3 | 162.6 | -62.1 | -177.9 | 177.5 | 141.2 | 3.6 | 111.9 | N700 P863 S864 | N700-R702 PolarHBondContact O-N 3.02Å; N700-R702 VanDerWaalsContact O-N 3.08Å; N700-R702 WeakPolarHBondContact OD1-CB 3.44Å; N700-R702 PolarHBondContact OD1-N 3.27Å; R702-P863 PolarHBondContact NH1-O 3.41Å; R702-P863 PolarHBondContact NH2-O 2.7Å; R702-S864 PolarHBondContact NH2-O 3.25Å |
| 703 | C | 87.1 | Confident | 89.2 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 5% | 0.054 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -66.7 | 163.4 | -177.1 | -75.1 | 0 | 0 | 0 | 0 | 114.3 | N700 L705 C853 H855 L856 C916 | N700-C703 VanDerWaalsContact CG-SG 3.53Å; N700-C703 PolarHBondContact ND2-SG 3.08Å; N700-C703 VanDerWaalsContact O-CB 3.29Å; N700-C703 WeakPolarHBondContact O-CB 3.23Å; N700-C703 PolarHBondContact O-N 2.83Å; C703-L705 VanDerWaalsContact O-CD2 3.29Å; C703-L705 WeakPolarHBondContact O-CD2 3.31Å; C703-L705 PolarHBondContact O-N 3.47Å; C703-C853 HydrophobicContact CB-CB 3.89Å; C703-H855 PolarHBondContact SG-O 3.32Å; C703-L856 HydrophobicContact CB-CD1 4.33Å; C703-C916 VanDerWaalsContact CA-SG 3.57Å |
| 704 | Y | 86.3 | Confident | 89.2 | Confident | 53 Ų | 53 | 32.1 Ų | 32.1 | 21% | 0.208 | 17% | 0.172 | C | C | . | . | trans | -64.2 | 117.7 | 166.7 | -179.4 | -103.9 | 0 | 0 | 0 | 110.1 | G706 E851 A852 C853 C916 | Y704-G706 VanDerWaalsContact C-N 3.33Å; Y704-G706 PolarHBondContact O-N 2.84Å; Y704-E851 VanDerWaalsContact CE1-O 3.31Å; Y704-E851 WeakPolarHBondContact CE1-O 3.36Å; Y704-A852 WeakPolarHBondContact O-CB 3.44Å; Y704-C853 PolarHBondContact O-N 3.44Å; Y704-C916 PolarHBondContact N-SG 3.29Å | ||
| 705 | L | 87.7 | Confident | 89 | Confident | 17 Ų | 17 | 35.6 Ų | 35.6 | 9% | 0.089 | 19% | 0.19 | C | C | . | . | trans | -87.8 | 3.3 | -172.4 | -51.5 | -175.2 | 0 | 0 | 0 | 114.3 | C703 L709 K711 L714 L856 | C703-L705 VanDerWaalsContact O-CD2 3.29Å; C703-L705 WeakPolarHBondContact O-CD2 3.31Å; C703-L705 PolarHBondContact O-N 3.47Å; L705-L709 HydrophobicContact CB-CB 4.19Å; L705-K711 HydrophobicContact CD1-CB 3.65Å; L705-K711 HydrophobicContact CD1-CD 4.27Å; L705-K711 HydrophobicContact CD1-CG 4.02Å; L705-L714 HydrophobicContact CD1-CD2 3.78Å; L705-L714 HydrophobicContact CD2-CD2 3.49Å; L705-L714 VanDerWaalsContact CD2-CD2 3.49Å; L705-L714 HydrophobicContact CG-CD2 4.23Å; L705-L856 HydrophobicContact CD2-CD1 3.55Å | ||
| 706 | G | 85.3 | Confident | 89 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | -175.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y704 E851 | Y704-G706 VanDerWaalsContact C-N 3.33Å; Y704-G706 PolarHBondContact O-N 2.84Å; G706-E851 VanDerWaalsContact CA-O 3.27Å; G706-E851 WeakPolarHBondContact CA-O 2.89Å |
| 707 | P | 86.8 | Confident | 89 | Confident | 56 Ų | 56 | 40.7 Ų | 40.7 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1.4 | 179 | 33.9 | -31 | 0 | 0 | 0 | 113.5 | E851 | P707-E851 HydrophobicContact CG-CB 4.32Š|
| 708 | F | 90.4 | Very high | 88.9 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -37.1 | -175.1 | -70.9 | -83.3 | 0 | 0 | 0 | 113.7 | A741 H742 V747 M750 F850 E851 R934 | F708-A741 CarbonylContact O-C 2.99Å; F708-A741 VanDerWaalsContact O-CA 3.25Å; F708-A741 WeakPolarHBondContact O-CA 3.5Å; F708-A741 WeakPolarHBondContact O-CB 2.77Å; F708-H742 PolarHBondContact O-N 2.89Å; F708-V747 HydrophobicContact CB-CG2 4.33Å; F708-V747 HydrophobicContact CD1-CG2 3.84Å; F708-V747 HydrophobicContact CG-CG2 4.47Å; F708-M750 HydrophobicContact CD1-SD 4.23Å; F708-M750 HydrophobicContact CE1-CE 3.89Å; F708-M750 HydrophobicContact CE1-SD 3.45Å; F708-M750 WeakPolarHBondContact CE1-SD 3.28Å; F708-M750 HydrophobicContact CE2-CE 3.97Å; F708-M750 HydrophobicContact CZ-CE 3.52Å; F708-M750 HydrophobicContact CZ-SD 3.66Å; F708-F850 HydrophobicContact CB-CD1 3.89Å; F708-F850 WeakPolarHBondContact CD2-O 3.48Å; F708-E851 HydrophobicContact CE2-CB 4.45Å; F708-E851 HydrophobicContact CE2-CG 4.17Å; F708-R934 VanDerWaalsContact CZ-CZ 3.47Å; F708-R934 VanDerWaalsContact CZ-NH1 3.29Å |
| 709 | L | 91.2 | Very high | 88.7 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -88.2 | 133 | -176.3 | -67.9 | 170.9 | 0 | 0 | 0 | 112.2 | L705 L714 L737 F850 L856 | L705-L709 HydrophobicContact CB-CB 4.19Å; L709-L714 HydrophobicContact CD1-CD1 4.47Å; L709-L737 WeakPolarHBondContact CD2-O 3.37Å; L709-F850 HydrophobicContact CD1-CB 4.28Å; L709-F850 HydrophobicContact CD1-CD1 4.06Å; L709-F850 HydrophobicContact CD1-CD2 4.4Å; L709-F850 HydrophobicContact CD1-CE1 4.49Å; L709-F850 HydrophobicContact CD1-CG 4.01Å; L709-F850 HydrophobicContact CD2-CD1 3.77Å; L709-F850 HydrophobicContact CD2-CE1 3.45Å; L709-F850 VanDerWaalsContact CD2-CE1 3.45Å; L709-F850 HydrophobicContact CD2-CG 4.44Å; L709-F850 HydrophobicContact CD2-CZ 3.94Å; L709-F850 HydrophobicContact CG-CD1 3.6Å; L709-F850 HydrophobicContact CG-CE1 3.87Å; L709-F850 HydrophobicContact CG-CG 4.08Å; L709-L856 HydrophobicContact CD1-CD2 3.59Å |
| 710 | C | 90.4 | Very high | 88.7 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | trans | -88.1 | 117.9 | 175.6 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | S712 N713 L714 A740 H742 | C710-S712 VanDerWaalsContact C-N 3.34Å; C710-S712 PolarHBondContact O-N 2.88Å; C710-S712 PolarHBondContact SG-OG 3.4Å; C710-N713 HydrophobicContact CB-CB 4.12Å; C710-N713 PolarHBondContact O-N 3.43Å; C710-L714 PolarHBondContact O-N 2.88Å; C710-A740 VanDerWaalsContact CB-O 3.3Å; C710-A740 WeakPolarHBondContact CB-O 3.05Å; C710-A740 PolarHBondContact N-O 3.16Å; C710-A740 VanDerWaalsContact N-O 3.09Å; C710-H742 VanDerWaalsContact CB-CE1 3.44Å; C710-H742 WeakPolarHBondContact CB-CE1 3.34Å; C710-H742 PolarHBondContact SG-CE1 3.16Å | ||
| 711 | K | 88.4 | Confident | 89 | Confident | 81 Ų | 81 | 51.3 Ų | 51.3 | 35% | 0.352 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -53.1 | -47.2 | -176.8 | 179.3 | 152.3 | -177 | 151 | 0 | 113 | S701 L705 N713 L714 D715 | S701-K711 PolarHBondContact O-NZ 3.49Å; L705-K711 HydrophobicContact CD1-CB 3.65Å; L705-K711 HydrophobicContact CD1-CD 4.27Å; L705-K711 HydrophobicContact CD1-CG 4.02Å; K711-N713 PolarHBondContact O-N 2.86Å; K711-N713 VanDerWaalsContact O-N 3.12Å; K711-L714 PolarHBondContact O-N 3.38Å; K711-L714 VanDerWaalsContact O-N 3.1Å; K711-D715 WeakPolarHBondContact CE-OD2 3.32Å; K711-D715 WeakPolarHBondContact CG-OD2 3.4Å; K711-D715 PolarHBondContact O-N 3.47Å |
| 712 | S | 90.7 | Very high | 89.3 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.4 | -23.4 | 179.8 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | C710 L716 | C710-S712 VanDerWaalsContact C-N 3.34Å; C710-S712 PolarHBondContact O-N 2.88Å; C710-S712 PolarHBondContact SG-OG 3.4Å; S712-L716 WeakPolarHBondContact O-CD1 3.43Å; S712-L716 WeakPolarHBondContact O-CG 3.36Å |
| 713 | N | 90.7 | Very high | 89.9 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 33% | 0.326 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -91.5 | -30.7 | 178.4 | -55.9 | 0.7 | 0 | 0 | 0 | 110.9 | C710 K711 L716 A740 | C710-N713 HydrophobicContact CB-CB 4.12Å; C710-N713 PolarHBondContact O-N 3.43Å; K711-N713 PolarHBondContact O-N 2.86Å; K711-N713 VanDerWaalsContact O-N 3.12Å; N713-L716 PolarHBondContact O-N 3.24Å; N713-A740 HydrophobicContact CB-CB 3.9Å; N713-A740 WeakPolarHBondContact CB-O 3.44Å; N713-A740 PolarHBondContact ND2-O 3.07Å |
| 714 | L | 90.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 174.5 | -165.9 | 77.6 | 0 | 0 | 0 | 111.5 | I699 L705 L709 C710 K711 L716 L717 L737 L856 | I699-L714 HydrophobicContact CG2-CD1 4.24Å; I699-L714 HydrophobicContact CG2-CD2 4.02Å; I699-L714 HydrophobicContact CG2-CG 4.16Å; L705-L714 HydrophobicContact CD1-CD2 3.78Å; L705-L714 HydrophobicContact CD2-CD2 3.49Å; L705-L714 VanDerWaalsContact CD2-CD2 3.49Å; L705-L714 HydrophobicContact CG-CD2 4.23Å; L709-L714 HydrophobicContact CD1-CD1 4.47Å; C710-L714 PolarHBondContact O-N 2.88Å; K711-L714 PolarHBondContact O-N 3.38Å; K711-L714 VanDerWaalsContact O-N 3.1Å; L714-L716 PolarHBondContact O-N 3.36Å; L714-L716 VanDerWaalsContact O-N 3.13Å; L714-L717 HydrophobicContact CD1-CD1 4Å; L714-L717 WeakPolarHBondContact O-CB 3.37Å; L714-L717 PolarHBondContact O-N 2.84Å; L714-L737 HydrophobicContact CD1-CD2 3.71Å; L714-L856 HydrophobicContact CD2-CD1 4.33Å |
| 715 | D | 88 | Confident | 90.4 | Very high | 74 Ų | 74 | 51 Ų | 51 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -8.1 | 176 | -68.5 | -38.9 | 0 | 0 | 0 | 113.1 | S701 K711 | S701-D715 VanDerWaalsContact CB-OD1 3.29Å; S701-D715 WeakPolarHBondContact CB-OD1 3.48Å; S701-D715 PolarHBondContact OG-OD1 2.72Å; K711-D715 WeakPolarHBondContact CE-OD2 3.32Å; K711-D715 WeakPolarHBondContact CG-OD2 3.4Å; K711-D715 PolarHBondContact O-N 3.47Å |
| 716 | L | 91.4 | Very high | 90.6 | Very high | 146 Ų | 146 | 50.2 Ų | 50.2 | 76% | 0.764 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -4.4 | 171.3 | -67.8 | 170 | 0 | 0 | 0 | 113.4 | S712 N713 L714 | S712-L716 WeakPolarHBondContact O-CD1 3.43Å; S712-L716 WeakPolarHBondContact O-CG 3.36Å; N713-L716 PolarHBondContact O-N 3.24Å; L714-L716 PolarHBondContact O-N 3.36Å; L714-L716 VanDerWaalsContact O-N 3.13Å |
| 717 | L | 92.2 | Very high | 90.9 | Very high | 33 Ų | 33 | 51 Ų | 51 | 17% | 0.173 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -82 | 153.9 | 171.3 | -58.1 | -169.4 | 0 | 0 | 0 | 110.2 | I699 L714 R736 L737 A740 | I699-L717 HydrophobicContact CD1-CB 4.49Å; I699-L717 HydrophobicContact CD1-CD1 4.23Å; L714-L717 HydrophobicContact CD1-CD1 4Å; L714-L717 WeakPolarHBondContact O-CB 3.37Å; L714-L717 PolarHBondContact O-N 2.84Å; L717-R736 HydrophobicContact CD1-CB 4.03Å; L717-R736 HydrophobicContact CD2-CB 3.96Å; L717-R736 HydrophobicContact CD2-CG 4.45Å; L717-L737 HydrophobicContact CD1-CD2 4.23Å; L717-A740 HydrophobicContact CD1-CB 4.21Å |
| 718 | P | 91.7 | Very high | 91.2 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | trans | -61.4 | 140.6 | 167.3 | 28.3 | -34.1 | 0 | 0 | 0 | 109.6 | Q720 F721 | P718-Q720 PolarHBondContact O-N 3.06Å; P718-F721 HydrophobicContact CG-CD2 4.47Å; P718-F721 HydrophobicContact CG-CE2 3.91Å; P718-F721 HydrophobicContact CG-CZ 4.09Å; P718-F721 WeakPolarHBondContact O-CE2 3.4Å | ||
| 719 | R | 89.6 | Confident | 91.4 | Very high | 148 Ų | 148 | 56.2 Ų | 56.2 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -72.2 | -12.3 | -179.8 | -68.5 | -174.2 | 172.9 | -148 | -2.7 | 114 | Y698 I699 | Y698-R719 CarbonylContact C-O 3.44Å; Y698-R719 VanDerWaalsContact CA-O 3.28Å; Y698-R719 WeakPolarHBondContact CA-O 3.39Å; I699-R719 PolarHBondContact N-O 2.82Å |
| 720 | Q | 93.1 | Very high | 91.6 | Very high | 89 Ų | 89 | 56 Ų | 56 | 42% | 0.416 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 141 | -178.9 | -177.7 | 178.9 | -11.2 | 0 | 0 | 109.8 | P696 I697 Y698 P718 | P696-Q720 HydrophobicContact CB-CG 4.11Å; I697-Q720 CarbonylContact O-C 3.49Å; I697-Q720 WeakPolarHBondContact O-CA 3.48Å; Y698-Q720 HydrophobicContact CD1-CB 4Å; Y698-Q720 HydrophobicContact CD1-CG 4.1Å; Y698-Q720 HydrophobicContact CE1-CB 3.98Å; Y698-Q720 HydrophobicContact CE1-CG 3.72Å; P718-Q720 PolarHBondContact O-N 3.06Å |
| 721 | F | 94.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.035 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 142.1 | 173.9 | -77.4 | -110.9 | 0 | 0 | 0 | 109.2 | P696 I697 I699 P718 V729 L733 R736 | P696-F721 WeakPolarHBondContact CA-O 3.06Å; I697-F721 HydrophobicContact CB-CB 4.4Å; I697-F721 PolarHBondContact N-O 3.12Å; I697-F721 PolarHBondContact O-N 3.36Å; I699-F721 HydrophobicContact CD1-CD2 4.25Å; I699-F721 HydrophobicContact CD1-CE2 3.62Å; I699-F721 HydrophobicContact CD1-CZ 4.45Å; I699-F721 HydrophobicContact CG1-CD2 4.49Å; I699-F721 HydrophobicContact CG1-CE2 4.31Å; P718-F721 HydrophobicContact CG-CD2 4.47Å; P718-F721 HydrophobicContact CG-CE2 3.91Å; P718-F721 HydrophobicContact CG-CZ 4.09Å; P718-F721 WeakPolarHBondContact O-CE2 3.4Å; F721-V729 HydrophobicContact CB-CG1 4.29Å; F721-L733 HydrophobicContact CD1-CB 3.92Å; F721-L733 HydrophobicContact CD1-CD1 3.96Å; F721-L733 HydrophobicContact CD2-CD1 3.85Å; F721-L733 VanDerWaalsContact CE1-CA 3.48Å; F721-L733 HydrophobicContact CE1-CB 4.13Å; F721-L733 HydrophobicContact CE1-CD1 3.97Å; F721-L733 HydrophobicContact CE2-CD1 3.88Å; F721-L733 HydrophobicContact CG-CB 4.48Å; F721-L733 HydrophobicContact CG-CD1 3.9Å; F721-L733 HydrophobicContact CZ-CD1 3.92Å; F721-R736 HydrophobicContact CE1-CB 4.23Å; F721-R736 HydrophobicContact CE1-CG 4.33Å; F721-R736 HydrophobicContact CZ-CB 3.99Å; F721-R736 HydrophobicContact CZ-CG 4.36Å |
| 722 | G | 90.4 | Very high | 92.2 | Very high | 32 Ų | 32 | 56.7 Ų | 56.7 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | trans | 72.7 | -171.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 723 | P | 91.6 | Very high | 92.4 | Very high | 91 Ų | 91 | 53.1 Ų | 53.1 | 59% | 0.591 | 28% | 0.283 | S | S | * | . | S | Bend | cis | -68.1 | 164.1 | 0 | 30 | -36.6 | 0 | 0 | 0 | 113.2 | I693 C694 | I693-P723 HydrophobicContact CG2-CB 4.4Å; C694-P723 VanDerWaalsContact O-CA 3.31Å; C694-P723 WeakPolarHBondContact O-CA 3.26Å; C694-P723 WeakPolarHBondContact O-CB 3.41Å |
| 724 | G | 91 | Very high | 92.6 | Very high | 26 Ų | 26 | 50.3 Ų | 50.3 | 27% | 0.268 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.8 | -179.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C694 V726 | C694-G724 WeakPolarHBondContact CA-O 3.34Å; C694-G724 WeakPolarHBondContact CB-O 3.3Å; C694-G724 PolarHBondContact N-O 3.36Å; C694-G724 PolarHBondContact O-N 3.05Å; G724-V726 PolarHBondContact O-N 3.03Å |
| 725 | S | 92.5 | Very high | 92.8 | Very high | 22 Ų | 22 | 51.1 Ų | 51.1 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -46.6 | 122.5 | 177.9 | 168.1 | 0 | 0 | 0 | 0 | 113 | E691 E692 T727 R728 V729 | E691-S725 WeakPolarHBondContact OE2-CB 3.31Å; E691-S725 PolarHBondContact OE2-OG 3.39Å; E692-S725 WeakPolarHBondContact O-CA 3.31Å; S725-T727 PolarHBondContact O-N 3.07Å; S725-R728 PolarHBondContact O-N 3.02Å; S725-V729 WeakPolarHBondContact O-CG2 3.42Å; S725-V729 PolarHBondContact O-N 2.86Å |
| 726 | V | 92.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -50.2 | -54.5 | -174.2 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | E692 C694 G724 R728 V729 M730 C833 V839 | E692-V726 HydrophobicContact CB-CG2 4.24Å; E692-V726 PolarHBondContact O-N 3.12Å; C694-V726 HydrophobicContact CB-CB 4.42Å; C694-V726 HydrophobicContact CB-CG2 3.92Å; G724-V726 PolarHBondContact O-N 3.03Å; V726-R728 VanDerWaalsContact C-N 3.27Å; V726-R728 PolarHBondContact O-N 3.06Å; V726-V729 PolarHBondContact O-N 3.27Å; V726-V729 VanDerWaalsContact O-N 3.16Å; V726-M730 HydrophobicContact CG1-CG 4.26Å; V726-M730 WeakPolarHBondContact O-CG 3.26Å; V726-M730 PolarHBondContact O-N 2.89Å; V726-C833 WeakPolarHBondContact CG1-O 3.1Å; V726-V839 HydrophobicContact CG1-CG2 3.86Å; V726-V839 HydrophobicContact CG2-CG2 4.28Å |
| 727 | T | 92.1 | Very high | 93.4 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 18% | 0.184 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.6 | -41.6 | 180 | -48.7 | 0 | 0 | 0 | 0 | 112.4 | S725 Q731 C811 V813 V832 | S725-T727 PolarHBondContact O-N 3.07Å; T727-Q731 WeakPolarHBondContact O-CB 3.47Å; T727-Q731 PolarHBondContact O-N 2.78Å; T727-C811 HydrophobicContact CG2-CB 3.94Å; T727-V813 HydrophobicContact CG2-CG1 3.69Å; T727-V832 HydrophobicContact CG2-CG2 3.8Å |
| 728 | R | 92.3 | Very high | 93.5 | Very high | 165 Ų | 165 | 43.9 Ų | 43.9 | 62% | 0.623 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -74.5 | -39.1 | -179.7 | -58.6 | -175.1 | -164.6 | -162.9 | 3 | 112.2 | E691 S725 V726 C732 | E691-R728 IonicContact OE1-NH2 2.71Å; S725-R728 PolarHBondContact O-N 3.02Å; V726-R728 VanDerWaalsContact C-N 3.27Å; V726-R728 PolarHBondContact O-N 3.06Å; R728-C732 VanDerWaalsContact O-CB 3.29Å; R728-C732 WeakPolarHBondContact O-CB 3.39Å; R728-C732 PolarHBondContact O-N 3.26Å |
| 729 | V | 95.6 | Very high | 93.5 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 176.2 | 173.7 | 0 | 0 | 0 | 0 | 109.9 | C694 I697 F721 S725 V726 C732 L733 | C694-V729 HydrophobicContact CB-CB 4.09Å; C694-V729 HydrophobicContact CB-CG1 4.27Å; C694-V729 HydrophobicContact CB-CG2 4.01Å; I697-V729 HydrophobicContact CD1-CG1 3.86Å; F721-V729 HydrophobicContact CB-CG1 4.29Å; S725-V729 WeakPolarHBondContact O-CG2 3.42Å; S725-V729 PolarHBondContact O-N 2.86Å; V726-V729 PolarHBondContact O-N 3.27Å; V726-V729 VanDerWaalsContact O-N 3.16Å; V729-C732 PolarHBondContact O-N 3.48Å; V729-L733 WeakPolarHBondContact O-CB 3.38Å; V729-L733 PolarHBondContact O-N 3.01Å |
| 730 | M | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -47.1 | 177.8 | -69.4 | -55.8 | 179.4 | 0 | 0 | 112.9 | I697 V726 C732 L733 I734 V832 V839 Y842 | I697-M730 HydrophobicContact CD1-CE 3.74Å; I697-M730 HydrophobicContact CD1-SD 4.12Å; V726-M730 HydrophobicContact CG1-CG 4.26Å; V726-M730 WeakPolarHBondContact O-CG 3.26Å; V726-M730 PolarHBondContact O-N 2.89Å; M730-C732 VanDerWaalsContact C-N 3.25Å; M730-C732 PolarHBondContact O-N 3.35Å; M730-L733 PolarHBondContact O-N 3.2Å; M730-L733 HydrophobicContact SD-CD2 4.25Å; M730-I734 WeakPolarHBondContact O-CB 3.18Å; M730-I734 WeakPolarHBondContact O-CG1 3.39Å; M730-I734 PolarHBondContact O-N 3.03Å; M730-V832 HydrophobicContact CB-CB 3.89Å; M730-V832 HydrophobicContact CB-CG1 3.82Å; M730-V839 HydrophobicContact CE-CB 4Å; M730-V839 HydrophobicContact CE-CG1 3.61Å; M730-V839 HydrophobicContact CE-CG2 3.94Å; M730-Y842 HydrophobicContact CB-CE1 4.21Å; M730-Y842 HydrophobicContact CE-CD1 3.85Å; M730-Y842 HydrophobicContact CG-CD1 4.11Å; M730-Y842 HydrophobicContact CG-CE1 4.01Å; M730-Y842 HydrophobicContact SD-CD1 3.61Å; M730-Y842 HydrophobicContact SD-CE1 3.79Å |
| 731 | Q | 94.9 | Very high | 93.7 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 32% | 0.318 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.8 | -41.3 | 174.3 | -169.9 | -171.4 | 24.5 | 0 | 0 | 111.3 | T727 T735 V813 L814 V815 | T727-Q731 WeakPolarHBondContact O-CB 3.47Å; T727-Q731 PolarHBondContact O-N 2.78Å; Q731-T735 WeakPolarHBondContact O-CB 3.43Å; Q731-T735 PolarHBondContact O-N 3.5Å; Q731-T735 PolarHBondContact O-OG1 3.03Å; Q731-V813 HydrophobicContact CB-CB 4.34Å; Q731-V813 HydrophobicContact CB-CG1 4.41Å; Q731-V813 HydrophobicContact CB-CG2 4.06Å; Q731-V813 HydrophobicContact CG-CB 3.97Å; Q731-V813 HydrophobicContact CG-CG1 4.46Å; Q731-V813 HydrophobicContact CG-CG2 3.89Å; Q731-L814 PolarHBondContact NE2-O 3.06Å; Q731-V815 HydrophobicContact CG-CG2 4.47Å |
| 732 | C | 95 | Very high | 93.4 | Very high | 47 Ų | 47 | 41.8 Ų | 41.8 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67 | -45 | 177.9 | -165.4 | 0 | 0 | 0 | 0 | 112.5 | R728 V729 M730 R736 | R728-C732 VanDerWaalsContact O-CB 3.29Å; R728-C732 WeakPolarHBondContact O-CB 3.39Å; R728-C732 PolarHBondContact O-N 3.26Å; V729-C732 PolarHBondContact O-N 3.48Å; M730-C732 VanDerWaalsContact C-N 3.25Å; M730-C732 PolarHBondContact O-N 3.35Å; C732-R736 WeakPolarHBondContact O-CG 3.43Å; C732-R736 PolarHBondContact O-N 3.06Å |
| 733 | L | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -56.1 | 179 | 179.7 | 58.6 | 0 | 0 | 0 | 111.3 | I697 I699 F721 V729 M730 T735 R736 L737 L857 | I697-L733 HydrophobicContact CD1-CD2 3.92Å; I697-L733 HydrophobicContact CG2-CD2 4.03Å; I699-L733 HydrophobicContact CD1-CD1 4.39Å; F721-L733 HydrophobicContact CD1-CB 3.92Å; F721-L733 HydrophobicContact CD1-CD1 3.96Å; F721-L733 HydrophobicContact CD2-CD1 3.85Å; F721-L733 VanDerWaalsContact CE1-CA 3.48Å; F721-L733 HydrophobicContact CE1-CB 4.13Å; F721-L733 HydrophobicContact CE1-CD1 3.97Å; F721-L733 HydrophobicContact CE2-CD1 3.88Å; F721-L733 HydrophobicContact CG-CB 4.48Å; F721-L733 HydrophobicContact CG-CD1 3.9Å; F721-L733 HydrophobicContact CZ-CD1 3.92Å; V729-L733 WeakPolarHBondContact O-CB 3.38Å; V729-L733 PolarHBondContact O-N 3.01Å; M730-L733 PolarHBondContact O-N 3.2Å; M730-L733 HydrophobicContact SD-CD2 4.25Å; L733-T735 PolarHBondContact O-N 2.87Å; L733-R736 PolarHBondContact O-N 3.16Å; L733-R736 VanDerWaalsContact O-N 3.12Å; L733-L737 HydrophobicContact CD1-CD1 3.82Å; L733-L737 HydrophobicContact CD1-CG 4.11Å; L733-L737 HydrophobicContact CG-CD1 3.88Å; L733-L737 WeakPolarHBondContact O-CG 3.49Å; L733-L737 PolarHBondContact O-N 2.79Å; L733-L857 HydrophobicContact CD1-CD2 4.26Å; L733-L857 HydrophobicContact CD2-CD1 4.27Å |
| 734 | I | 95.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 179 | -65.2 | 167.1 | 0 | 0 | 0 | 110.7 | M730 R736 L737 I738 V815 V830 V832 Y842 I846 | M730-I734 WeakPolarHBondContact O-CB 3.18Å; M730-I734 WeakPolarHBondContact O-CG1 3.39Å; M730-I734 PolarHBondContact O-N 3.03Å; I734-R736 VanDerWaalsContact C-N 3.26Å; I734-R736 PolarHBondContact O-N 3.11Å; I734-L737 PolarHBondContact O-N 3.17Å; I734-I738 HydrophobicContact CG2-CD1 3.44Å; I734-I738 VanDerWaalsContact CG2-CD1 3.44Å; I734-I738 HydrophobicContact CG2-CG1 4.16Å; I734-I738 WeakPolarHBondContact O-CB 3.35Å; I734-I738 VanDerWaalsContact O-CG1 3.26Å; I734-I738 WeakPolarHBondContact O-CG1 3.42Å; I734-I738 PolarHBondContact O-N 3.18Å; I734-V815 HydrophobicContact CG2-CG2 4.4Å; I734-V830 HydrophobicContact CD1-CG1 4.29Å; I734-V832 HydrophobicContact CD1-CG1 3.71Å; I734-Y842 HydrophobicContact CD1-CE1 4.01Å; I734-Y842 WeakPolarHBondContact CD1-OH 3.4Å; I734-I846 HydrophobicContact CD1-CD1 4.03Å; I734-I846 HydrophobicContact CG1-CD1 3.81Å; I734-I846 HydrophobicContact CG1-CG1 4.47Å |
| 735 | T | 95 | Very high | 93.3 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 13% | 0.129 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.4 | -38.2 | 177.2 | -63 | 0 | 0 | 0 | 0 | 112.2 | Q731 L733 R739 | Q731-T735 WeakPolarHBondContact O-CB 3.43Å; Q731-T735 PolarHBondContact O-N 3.5Å; Q731-T735 PolarHBondContact O-OG1 3.03Å; L733-T735 PolarHBondContact O-N 2.87Å; T735-R739 VanDerWaalsContact CG2-CZ 3.46Å; T735-R739 VanDerWaalsContact O-CD 3.26Å; T735-R739 WeakPolarHBondContact O-CD 3.3Å; T735-R739 WeakPolarHBondContact O-CG 3.49Å; T735-R739 PolarHBondContact O-N 2.93Å |
| 736 | R | 95.2 | Very high | 93.2 | Very high | 101 Ų | 101 | 49.6 Ų | 49.6 | 38% | 0.381 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -78.1 | -41.4 | 178.5 | -75.2 | -172.1 | -177.4 | 148.1 | -4.1 | 112.7 | L717 F721 C732 L733 I734 R739 A740 | L717-R736 HydrophobicContact CD1-CB 4.03Å; L717-R736 HydrophobicContact CD2-CB 3.96Å; L717-R736 HydrophobicContact CD2-CG 4.45Å; F721-R736 HydrophobicContact CE1-CB 4.23Å; F721-R736 HydrophobicContact CE1-CG 4.33Å; F721-R736 HydrophobicContact CZ-CB 3.99Å; F721-R736 HydrophobicContact CZ-CG 4.36Å; C732-R736 WeakPolarHBondContact O-CG 3.43Å; C732-R736 PolarHBondContact O-N 3.06Å; L733-R736 PolarHBondContact O-N 3.16Å; L733-R736 VanDerWaalsContact O-N 3.12Å; I734-R736 VanDerWaalsContact C-N 3.26Å; I734-R736 PolarHBondContact O-N 3.11Å; R736-R739 PolarHBondContact O-N 3.03Å; R736-A740 PolarHBondContact O-N 3.24Å |
| 737 | L | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 176.4 | -69.3 | 170.9 | 0 | 0 | 0 | 112.1 | I699 L709 L714 L717 L733 I734 R739 A740 A741 I846 F850 L857 | I699-L737 HydrophobicContact CD1-CD2 4.18Å; L709-L737 WeakPolarHBondContact CD2-O 3.37Å; L714-L737 HydrophobicContact CD1-CD2 3.71Å; L717-L737 HydrophobicContact CD1-CD2 4.23Å; L733-L737 HydrophobicContact CD1-CD1 3.82Å; L733-L737 HydrophobicContact CD1-CG 4.11Å; L733-L737 HydrophobicContact CG-CD1 3.88Å; L733-L737 WeakPolarHBondContact O-CG 3.49Å; L733-L737 PolarHBondContact O-N 2.79Å; I734-L737 PolarHBondContact O-N 3.17Å; L737-R739 VanDerWaalsContact C-N 3.27Å; L737-R739 PolarHBondContact O-N 3.31Å; L737-A740 WeakPolarHBondContact O-CA 3.28Å; L737-A740 WeakPolarHBondContact O-CB 3.39Å; L737-A740 PolarHBondContact O-N 2.9Å; L737-A741 PolarHBondContact O-N 3.48Å; L737-I846 HydrophobicContact CD1-CG2 3.98Å; L737-F850 HydrophobicContact CB-CE2 3.87Å; L737-F850 HydrophobicContact CB-CZ 3.77Å; L737-F850 HydrophobicContact CD1-CE2 4.13Å; L737-L857 HydrophobicContact CD1-CD1 3.83Å; L737-L857 HydrophobicContact CD1-CD2 4.28Å |
| 738 | I | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.2 | -37.2 | 176.3 | -66.5 | 172.3 | 0 | 0 | 0 | 111.1 | I734 A740 A741 P744 V747 L748 F751 V815 V817 F850 | I734-I738 HydrophobicContact CG2-CD1 3.44Å; I734-I738 VanDerWaalsContact CG2-CD1 3.44Å; I734-I738 HydrophobicContact CG2-CG1 4.16Å; I734-I738 WeakPolarHBondContact O-CB 3.35Å; I734-I738 VanDerWaalsContact O-CG1 3.26Å; I734-I738 WeakPolarHBondContact O-CG1 3.42Å; I734-I738 PolarHBondContact O-N 3.18Å; I738-A740 VanDerWaalsContact C-N 3.32Å; I738-A741 WeakPolarHBondContact O-CB 3.46Å; I738-A741 PolarHBondContact O-N 3.29Å; I738-P744 HydrophobicContact CG2-CB 4.38Å; I738-P744 WeakPolarHBondContact CG2-O 3.5Å; I738-P744 WeakPolarHBondContact O-CA 3.27Å; I738-P744 VanDerWaalsContact O-CB 3.29Å; I738-P744 WeakPolarHBondContact O-CB 3.38Å; I738-V747 HydrophobicContact CG1-CG1 3.87Å; I738-V747 HydrophobicContact CG2-CB 4.45Å; I738-L748 HydrophobicContact CD1-CD1 3.9Å; I738-L748 HydrophobicContact CG2-CB 4.11Å; I738-F751 HydrophobicContact CD1-CD2 3.92Å; I738-F751 HydrophobicContact CD1-CE2 4.5Å; I738-F751 HydrophobicContact CG1-CD2 4.24Å; I738-F751 HydrophobicContact CG1-CE2 4.38Å; I738-V815 HydrophobicContact CD1-CG1 4.06Å; I738-V817 HydrophobicContact CG2-CG2 3.64Å; I738-F850 HydrophobicContact CG1-CZ 4.47Å |
| 739 | R | 92.4 | Very high | 93 | Very high | 135 Ų | 135 | 46.7 Ų | 46.7 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -70.9 | -25 | 175.1 | -71.9 | 170.9 | -172.7 | -173.3 | 4.3 | 113.1 | T735 R736 L737 A741 S816 | T735-R739 VanDerWaalsContact CG2-CZ 3.46Å; T735-R739 VanDerWaalsContact O-CD 3.26Å; T735-R739 WeakPolarHBondContact O-CD 3.3Å; T735-R739 WeakPolarHBondContact O-CG 3.49Å; T735-R739 PolarHBondContact O-N 2.93Å; R736-R739 PolarHBondContact O-N 3.03Å; L737-R739 VanDerWaalsContact C-N 3.27Å; L737-R739 PolarHBondContact O-N 3.31Å; R739-A741 VanDerWaalsContact C-N 3.33Å; R739-S816 PolarHBondContact NE-O 3.06Å; R739-S816 PolarHBondContact NH2-O 3.45Å |
| 740 | A | 93.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -79.6 | -12.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | C710 N713 L717 R736 L737 I738 | C710-A740 VanDerWaalsContact CB-O 3.3Å; C710-A740 WeakPolarHBondContact CB-O 3.05Å; C710-A740 PolarHBondContact N-O 3.16Å; C710-A740 VanDerWaalsContact N-O 3.09Å; N713-A740 HydrophobicContact CB-CB 3.9Å; N713-A740 WeakPolarHBondContact CB-O 3.44Å; N713-A740 PolarHBondContact ND2-O 3.07Å; L717-A740 HydrophobicContact CD1-CB 4.21Å; R736-A740 PolarHBondContact O-N 3.24Å; L737-A740 WeakPolarHBondContact O-CA 3.28Å; L737-A740 WeakPolarHBondContact O-CB 3.39Å; L737-A740 PolarHBondContact O-N 2.9Å; I738-A740 VanDerWaalsContact C-N 3.32Å |
| 741 | A | 92.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -69.2 | 154.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F708 L737 I738 R739 K743 P744 V747 | F708-A741 CarbonylContact O-C 2.99Å; F708-A741 VanDerWaalsContact O-CA 3.25Å; F708-A741 WeakPolarHBondContact O-CA 3.5Å; F708-A741 WeakPolarHBondContact O-CB 2.77Å; L737-A741 PolarHBondContact O-N 3.48Å; I738-A741 WeakPolarHBondContact O-CB 3.46Å; I738-A741 PolarHBondContact O-N 3.29Å; R739-A741 VanDerWaalsContact C-N 3.33Å; A741-K743 VanDerWaalsContact C-N 3.27Å; A741-K743 PolarHBondContact O-N 3.36Å; A741-P744 WeakPolarHBondContact O-CD 3.24Å; A741-P744 WeakPolarHBondContact O-CG 3.41Å; A741-V747 HydrophobicContact CB-CB 4.24Å; A741-V747 HydrophobicContact CB-CG2 3.65Å |
| 742 | H | 89.1 | Confident | 92.3 | Very high | 119 Ų | 119 | 48.5 Ų | 48.5 | 55% | 0.551 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -65.2 | -27.4 | 174.4 | -73.5 | -66.8 | 0 | 0 | 0 | 113.7 | F708 C710 | F708-H742 PolarHBondContact O-N 2.89Å; C710-H742 VanDerWaalsContact CB-CE1 3.44Å; C710-H742 WeakPolarHBondContact CB-CE1 3.34Å; C710-H742 PolarHBondContact SG-CE1 3.16Å |
| 743 | K | 90.6 | Very high | 91.9 | Very high | 147 Ų | 147 | 46.6 Ų | 46.6 | 64% | 0.639 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -136.6 | 73.5 | 177.7 | -66.7 | -178.2 | -178.7 | 175.5 | 0 | 110.2 | A741 V745 R746 V747 | A741-K743 VanDerWaalsContact C-N 3.27Å; A741-K743 PolarHBondContact O-N 3.36Å; K743-V745 VanDerWaalsContact C-N 3.29Å; K743-V745 PolarHBondContact O-N 3.08Å; K743-V745 VanDerWaalsContact O-N 3.12Å; K743-R746 HydrophobicContact CB-CB 4.06Å; K743-R746 PolarHBondContact O-N 3.28Å; K743-V747 PolarHBondContact O-N 2.79Å; K743-V747 VanDerWaalsContact O-N 3.17Å |
| 744 | P | 91.2 | Very high | 91.2 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 16% | 0.156 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -52.6 | -39.2 | -170.2 | -32.6 | 39.6 | 0 | 0 | 0 | 114.9 | I738 A741 V747 L748 V817 | I738-P744 HydrophobicContact CG2-CB 4.38Å; I738-P744 WeakPolarHBondContact CG2-O 3.5Å; I738-P744 WeakPolarHBondContact O-CA 3.27Å; I738-P744 VanDerWaalsContact O-CB 3.29Å; I738-P744 WeakPolarHBondContact O-CB 3.38Å; A741-P744 WeakPolarHBondContact O-CD 3.24Å; A741-P744 WeakPolarHBondContact O-CG 3.41Å; P744-V747 PolarHBondContact O-N 3.27Å; P744-L748 WeakPolarHBondContact O-CB 3.35Å; P744-L748 PolarHBondContact O-N 2.77Å; P744-V817 HydrophobicContact CB-CG1 3.63Å |
| 745 | V | 89.8 | Confident | 90.4 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 26% | 0.261 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.6 | -33.7 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | K743 R749 V817 I826 | K743-V745 VanDerWaalsContact C-N 3.29Å; K743-V745 PolarHBondContact O-N 3.08Å; K743-V745 VanDerWaalsContact O-N 3.12Å; V745-R749 WeakPolarHBondContact O-CG 3.23Å; V745-R749 PolarHBondContact O-N 2.83Å; V745-V817 HydrophobicContact CG2-CG1 4.28Å; V745-I826 HydrophobicContact CG1-CD1 3.8Å; V745-I826 HydrophobicContact CG2-CD1 4.45Å |
| 746 | R | 90.2 | Very high | 89.7 | Confident | 120 Ų | 120 | 53 Ų | 53 | 45% | 0.453 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.6 | -42.9 | 174.6 | 179.5 | 176.8 | 174.2 | 113.4 | 6.5 | 110.6 | K743 R749 M750 R934 | K743-R746 HydrophobicContact CB-CB 4.06Å; K743-R746 PolarHBondContact O-N 3.28Å; R746-R749 PolarHBondContact O-N 2.86Å; R746-M750 WeakPolarHBondContact O-CG 3.39Å; R746-M750 PolarHBondContact O-N 2.82Å; R746-R934 PolarHBondContact NH2-O 2.88Å |
| 747 | V | 90.6 | Very high | 89 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68 | -37.7 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 111 | F708 I738 A741 K743 P744 R749 M750 F751 F850 | F708-V747 HydrophobicContact CB-CG2 4.33Å; F708-V747 HydrophobicContact CD1-CG2 3.84Å; F708-V747 HydrophobicContact CG-CG2 4.47Å; I738-V747 HydrophobicContact CG1-CG1 3.87Å; I738-V747 HydrophobicContact CG2-CB 4.45Å; A741-V747 HydrophobicContact CB-CB 4.24Å; A741-V747 HydrophobicContact CB-CG2 3.65Å; K743-V747 PolarHBondContact O-N 2.79Å; K743-V747 VanDerWaalsContact O-N 3.17Å; P744-V747 PolarHBondContact O-N 3.27Å; V747-R749 VanDerWaalsContact C-N 3.25Å; V747-R749 PolarHBondContact O-N 3.34Å; V747-M750 WeakPolarHBondContact O-CA 3.29Å; V747-M750 WeakPolarHBondContact O-CB 3.35Å; V747-M750 PolarHBondContact O-N 2.97Å; V747-F751 HydrophobicContact CG1-CD2 4.2Å; V747-F751 HydrophobicContact CG1-CE2 3.85Å; V747-F751 WeakPolarHBondContact O-CD2 3.41Å; V747-F850 HydrophobicContact CG1-CD1 4.26Å; V747-F850 HydrophobicContact CG1-CE1 3.38Å; V747-F850 HydrophobicContact CG1-CZ 3.73Å; V747-F850 HydrophobicContact CG2-CE1 4.46Å |
| 748 | L | 92 | Very high | 88.1 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.5 | -40.4 | 175 | -174.4 | 65.6 | 0 | 0 | 0 | 112.4 | I738 P744 M750 F751 V815 V817 I826 V828 | I738-L748 HydrophobicContact CD1-CD1 3.9Å; I738-L748 HydrophobicContact CG2-CB 4.11Å; P744-L748 WeakPolarHBondContact O-CB 3.35Å; P744-L748 PolarHBondContact O-N 2.77Å; L748-M750 PolarHBondContact O-N 2.81Å; L748-F751 PolarHBondContact O-N 2.9Å; L748-V815 HydrophobicContact CD1-CB 3.93Å; L748-V815 HydrophobicContact CD1-CG1 3.63Å; L748-V817 HydrophobicContact CB-CG2 4.38Å; L748-V817 HydrophobicContact CD1-CG2 4.29Å; L748-V817 HydrophobicContact CD2-CB 4.09Å; L748-V817 HydrophobicContact CD2-CG2 3.92Å; L748-V817 HydrophobicContact CG-CG2 4.44Å; L748-I826 HydrophobicContact CD2-CB 4.46Å; L748-I826 HydrophobicContact CD2-CG2 3.92Å; L748-V828 HydrophobicContact CD1-CB 4.05Å; L748-V828 HydrophobicContact CD2-CB 4.03Å; L748-V828 HydrophobicContact CD2-CG2 3.73Å; L748-V828 HydrophobicContact CG-CB 3.8Å; L748-V828 HydrophobicContact CG-CG1 4.35Å; L748-V828 HydrophobicContact CG-CG2 3.77Å |
| 749 | R | 90.1 | Very high | 87.1 | Confident | 134 Ų | 134 | 53 Ų | 53 | 51% | 0.506 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -1.9 | 174.8 | -64.2 | -65.4 | -167.4 | -174.4 | 4.2 | 114.4 | V745 R746 V747 E752 | V745-R749 WeakPolarHBondContact O-CG 3.23Å; V745-R749 PolarHBondContact O-N 2.83Å; R746-R749 PolarHBondContact O-N 2.86Å; V747-R749 VanDerWaalsContact C-N 3.25Å; V747-R749 PolarHBondContact O-N 3.34Å; R749-E752 WeakPolarHBondContact CD-OE2 3.2Å; R749-E752 IonicContact CZ-OE2 2.75Å; R749-E752 IonicContact NE-OE2 3.11Å; R749-E752 IonicContact NH1-OE1 2.84Å; R749-E752 PolarHBondContact NH1-OE1 2.96Å; R749-E752 IonicContact NH1-OE2 2.72Å; R749-E752 PolarHBondContact NH1-OE2 2.76Å |
| 750 | M | 90.3 | Very high | 86.4 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -3.1 | 172.5 | -66.4 | 169 | 52.1 | 0 | 0 | 112.7 | F708 R746 V747 L748 V849 | F708-M750 HydrophobicContact CD1-SD 4.23Å; F708-M750 HydrophobicContact CE1-CE 3.89Å; F708-M750 HydrophobicContact CE1-SD 3.45Å; F708-M750 WeakPolarHBondContact CE1-SD 3.28Å; F708-M750 HydrophobicContact CE2-CE 3.97Å; F708-M750 HydrophobicContact CZ-CE 3.52Å; F708-M750 HydrophobicContact CZ-SD 3.66Å; R746-M750 WeakPolarHBondContact O-CG 3.39Å; R746-M750 PolarHBondContact O-N 2.82Å; V747-M750 WeakPolarHBondContact O-CA 3.29Å; V747-M750 WeakPolarHBondContact O-CB 3.35Å; V747-M750 PolarHBondContact O-N 2.97Å; L748-M750 PolarHBondContact O-N 2.81Å; M750-V849 HydrophobicContact CB-CG1 4.24Å; M750-V849 HydrophobicContact CE-CG1 3.96Å; M750-V849 WeakPolarHBondContact CE-O 3.42Å |
| 751 | F | 90.5 | Very high | 85.7 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 10% | 0.101 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -118.2 | 14.2 | 174.9 | -70.9 | -77.9 | 0 | 0 | 0 | 111.4 | I738 V747 L748 V830 I846 V849 F850 | I738-F751 HydrophobicContact CD1-CD2 3.92Å; I738-F751 HydrophobicContact CD1-CE2 4.5Å; I738-F751 HydrophobicContact CG1-CD2 4.24Å; I738-F751 HydrophobicContact CG1-CE2 4.38Å; V747-F751 HydrophobicContact CG1-CD2 4.2Å; V747-F751 HydrophobicContact CG1-CE2 3.85Å; V747-F751 WeakPolarHBondContact O-CD2 3.41Å; L748-F751 PolarHBondContact O-N 2.9Å; F751-V830 HydrophobicContact CB-CG1 3.99Å; F751-V830 HydrophobicContact CB-CG2 4.15Å; F751-V830 WeakPolarHBondContact O-CA 3.37Å; F751-V830 WeakPolarHBondContact O-CG1 3.39Å; F751-V830 WeakPolarHBondContact O-CG2 3.32Å; F751-I846 HydrophobicContact CE1-CB 4.48Å; F751-I846 HydrophobicContact CE1-CG1 4.08Å; F751-I846 HydrophobicContact CE1-CG2 4.42Å; F751-I846 HydrophobicContact CZ-CG2 4.15Å; F751-V849 HydrophobicContact CD1-CG1 4.45Å; F751-V849 HydrophobicContact CE1-CB 4.08Å; F751-V849 HydrophobicContact CE1-CG1 3.83Å; F751-V849 HydrophobicContact CE1-CG2 4.4Å; F751-V849 HydrophobicContact CE2-CG1 3.93Å; F751-V849 HydrophobicContact CZ-CB 3.93Å; F751-V849 HydrophobicContact CZ-CG1 3.53Å; F751-F850 AromaticContact CE2-CE2 3.95Å; F751-F850 HydrophobicContact CE2-CE2 3.95Å; F751-F850 AromaticContact CE2-CZ 3.96Å; F751-F850 HydrophobicContact CE2-CZ 3.96Å; F751-F850 HydrophobicContact CZ-CD2 4.24Å; F751-F850 AromaticContact CZ-CE2 3.82Å; F751-F850 HydrophobicContact CZ-CE2 3.82Å; F751-F850 HydrophobicContact CZ-CZ 4.31Å |
| 752 | E | 90.1 | Very high | 84.9 | Confident | 32 Ų | 32 | 52 Ų | 52 | 15% | 0.15 | 27% | 0.265 | C | S | . | . | trans | -75.5 | 128.3 | -175 | -176.2 | 152.9 | -163.5 | 0 | 0 | 111.9 | R749 D754 T757 V828 P829 | R749-E752 WeakPolarHBondContact CD-OE2 3.2Å; R749-E752 IonicContact CZ-OE2 2.75Å; R749-E752 IonicContact NE-OE2 3.11Å; R749-E752 IonicContact NH1-OE1 2.84Å; R749-E752 PolarHBondContact NH1-OE1 2.96Å; R749-E752 IonicContact NH1-OE2 2.72Å; R749-E752 PolarHBondContact NH1-OE2 2.76Å; E752-D754 VanDerWaalsContact C-N 3.31Å; E752-D754 PolarHBondContact O-N 2.96Å; E752-T757 PolarHBondContact OE1-OG1 2.9Å; E752-V828 HydrophobicContact CB-CG1 3.61Å; E752-V828 HydrophobicContact CG-CG1 3.65Å; E752-P829 WeakPolarHBondContact CA-O 3.22Å | ||
| 753 | A | 86.1 | Confident | 84.1 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | trans | -78.3 | 82.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | W755 V756 T757 P829 E831 | A753-W755 PolarHBondContact O-N 2.77Å; A753-V756 HydrophobicContact CB-CB 4.11Å; A753-V756 HydrophobicContact CB-CG2 3.56Å; A753-V756 WeakPolarHBondContact O-CA 3.43Å; A753-V756 VanDerWaalsContact O-CB 3.31Å; A753-V756 WeakPolarHBondContact O-CB 3.28Å; A753-V756 PolarHBondContact O-N 3.1Å; A753-T757 PolarHBondContact O-N 2.83Å; A753-P829 HydrophobicContact CB-CB 4.37Å; A753-P829 PolarHBondContact N-O 3.42Å; A753-E831 HydrophobicContact CB-CG 4Å | ||
| 754 | D | 80.8 | Confident | 83.1 | Confident | 95 Ų | 95 | 47.5 Ų | 47.5 | 51% | 0.508 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54.3 | -37.7 | -173.4 | -84.8 | -18.9 | 0 | 0 | 0 | 112.7 | E752 V756 T757 G758 | E752-D754 VanDerWaalsContact C-N 3.31Å; E752-D754 PolarHBondContact O-N 2.96Å; D754-V756 VanDerWaalsContact C-N 3.28Å; D754-V756 PolarHBondContact O-N 3.36Å; D754-T757 PolarHBondContact O-N 2.83Å; D754-T757 VanDerWaalsContact O-N 3.16Å; D754-G758 PolarHBondContact O-N 2.81Å |
| 755 | W | 79.4 | Confident | 81.8 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 13% | 0.125 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.3 | -36.5 | 173.7 | 68.5 | -99 | 0 | 0 | 0 | 113 | A753 M759 I802 Q805 R806 V812 E831 | A753-W755 PolarHBondContact O-N 2.77Å; W755-M759 WeakPolarHBondContact O-CB 3.31Å; W755-M759 PolarHBondContact O-N 3.12Å; W755-I802 HydrophobicContact CE3-CB 4.45Å; W755-I802 HydrophobicContact CE3-CG1 3.88Å; W755-I802 HydrophobicContact CE3-CG2 4.37Å; W755-I802 HydrophobicContact CZ3-CG1 4.27Å; W755-I802 HydrophobicContact CZ3-CG2 4.29Å; W755-Q805 HydrophobicContact CB-CB 4.01Å; W755-Q805 HydrophobicContact CG-CB 4.08Å; W755-R806 HydrophobicContact CD2-CB 4.21Å; W755-R806 HydrophobicContact CE3-CB 4.39Å; W755-R806 HydrophobicContact CH2-CB 3.96Å; W755-R806 HydrophobicContact CH2-CG 3.63Å; W755-R806 HydrophobicContact CZ2-CB 3.74Å; W755-R806 HydrophobicContact CZ2-CG 3.62Å; W755-R806 HydrophobicContact CZ3-CB 4.27Å; W755-R806 HydrophobicContact CZ3-CG 4.29Å; W755-V812 HydrophobicContact CH2-CG2 3.94Å; W755-V812 HydrophobicContact CZ2-CG2 3.77Å; W755-E831 PolarHBondContact NE1-OE1 3.46Å |
| 756 | V | 79.7 | Confident | 80.3 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.7 | -42.7 | 176.2 | -174 | 0 | 0 | 0 | 0 | 110.5 | A753 D754 G758 M759 A760 V812 P829 | A753-V756 HydrophobicContact CB-CB 4.11Å; A753-V756 HydrophobicContact CB-CG2 3.56Å; A753-V756 WeakPolarHBondContact O-CA 3.43Å; A753-V756 VanDerWaalsContact O-CB 3.31Å; A753-V756 WeakPolarHBondContact O-CB 3.28Å; A753-V756 PolarHBondContact O-N 3.1Å; D754-V756 VanDerWaalsContact C-N 3.28Å; D754-V756 PolarHBondContact O-N 3.36Å; V756-G758 VanDerWaalsContact C-N 3.33Å; V756-M759 PolarHBondContact O-N 2.95Å; V756-A760 VanDerWaalsContact O-CB 3.28Å; V756-A760 WeakPolarHBondContact O-CB 3.31Å; V756-A760 PolarHBondContact O-N 2.87Å; V756-V812 HydrophobicContact CG1-CG1 4.2Å; V756-V812 HydrophobicContact CG2-CG1 3.96Å; V756-V812 HydrophobicContact CG2-CG2 3.77Å; V756-P829 HydrophobicContact CB-CB 3.87Å; V756-P829 HydrophobicContact CB-CG 3.82Å; V756-P829 HydrophobicContact CG1-CB 3.67Å; V756-P829 HydrophobicContact CG1-CG 3.89Å; V756-P829 HydrophobicContact CG2-CB 4.37Å |
| 757 | T | 80.3 | Confident | 78.4 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 32% | 0.319 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 177 | -71.4 | 0 | 0 | 0 | 0 | 111 | E752 A753 D754 S761 P829 | E752-T757 PolarHBondContact OE1-OG1 2.9Å; A753-T757 PolarHBondContact O-N 2.83Å; D754-T757 PolarHBondContact O-N 2.83Å; D754-T757 VanDerWaalsContact O-N 3.16Å; T757-S761 WeakPolarHBondContact O-CB 3.02Å; T757-S761 PolarHBondContact O-N 3.3Å; T757-P829 WeakPolarHBondContact OG1-CG 3.11Å |
| 758 | G | 76.2 | Confident | 76.1 | Confident | 26 Ų | 26 | 62 Ų | 62 | 27% | 0.268 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.5 | -53.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D754 V756 A760 S761 V762 | D754-G758 PolarHBondContact O-N 2.81Å; V756-G758 VanDerWaalsContact C-N 3.33Å; G758-A760 PolarHBondContact O-N 3.44Å; G758-S761 WeakPolarHBondContact O-CB 3.3Å; G758-S761 PolarHBondContact O-N 3.2Å; G758-S761 VanDerWaalsContact O-N 3.12Å; G758-V762 PolarHBondContact O-N 3.3Å |
| 759 | M | 75 | Confident | 73.7 | Confident | 23 Ų | 23 | 67.8 Ų | 67.8 | 11% | 0.113 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -52.7 | -50 | 174.6 | -110 | -75.4 | 110.7 | 0 | 0 | 112.6 | W755 V756 S761 V762 L763 L795 A798 E799 I802 | W755-M759 WeakPolarHBondContact O-CB 3.31Å; W755-M759 PolarHBondContact O-N 3.12Å; V756-M759 PolarHBondContact O-N 2.95Å; M759-S761 VanDerWaalsContact C-N 3.28Å; M759-S761 PolarHBondContact O-N 2.73Å; M759-V762 PolarHBondContact O-N 3.26Å; M759-L763 WeakPolarHBondContact O-CB 3.33Å; M759-L763 WeakPolarHBondContact O-CG 3.09Å; M759-L763 PolarHBondContact O-N 3.24Å; M759-L763 HydrophobicContact SD-CD1 3.71Å; M759-L763 HydrophobicContact SD-CG 4.1Å; M759-L795 HydrophobicContact CE-CD1 4.01Å; M759-A798 HydrophobicContact CE-CB 3.62Å; M759-E799 HydrophobicContact CE-CG 4.31Å; M759-I802 HydrophobicContact CE-CD1 3.9Å; M759-I802 HydrophobicContact CG-CD1 3.26Å; M759-I802 HydrophobicContact CG-CG1 3.6Å; M759-I802 HydrophobicContact SD-CD1 3.56Å; M759-I802 VanDerWaalsContact SD-CD1 3.56Å |
| 760 | A | 77.2 | Confident | 71.2 | Confident | 38 Ų | 38 | 64.9 Ų | 64.9 | 31% | 0.314 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -34.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | V756 G758 N764 | V756-A760 VanDerWaalsContact O-CB 3.28Å; V756-A760 WeakPolarHBondContact O-CB 3.31Å; V756-A760 PolarHBondContact O-N 2.87Å; G758-A760 PolarHBondContact O-N 3.44Å; A760-N764 WeakPolarHBondContact O-CB 3.38Å; A760-N764 VanDerWaalsContact O-CG 3.23Å; A760-N764 PolarHBondContact O-N 2.83Å; A760-N764 PolarHBondContact O-ND2 2.83Å |
| 761 | S | 78.7 | Confident | 69 | Low | 60 Ų | 60 | 69.5 Ų | 69.5 | 42% | 0.42 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 174.1 | -167.9 | 0 | 0 | 0 | 0 | 112.1 | T757 G758 M759 S765 | T757-S761 WeakPolarHBondContact O-CB 3.02Å; T757-S761 PolarHBondContact O-N 3.3Å; G758-S761 WeakPolarHBondContact O-CB 3.3Å; G758-S761 PolarHBondContact O-N 3.2Å; G758-S761 VanDerWaalsContact O-N 3.12Å; M759-S761 VanDerWaalsContact C-N 3.28Å; M759-S761 PolarHBondContact O-N 2.73Å; S761-S765 PolarHBondContact O-N 3.04Å; S761-S765 PolarHBondContact O-OG 3.05Å |
| 762 | V | 74.6 | Confident | 66.4 | Low | 20 Ų | 20 | 75.1 Ų | 75.1 | 12% | 0.121 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 176.9 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | G758 M759 S765 L795 A798 | G758-V762 PolarHBondContact O-N 3.3Å; M759-V762 PolarHBondContact O-N 3.26Å; V762-S765 WeakPolarHBondContact O-CB 3.3Å; V762-L795 HydrophobicContact CG1-CD1 3.94Å; V762-A798 HydrophobicContact CG2-CB 4.12Å |
| 763 | L | 71.7 | Confident | 63.8 | Low | 71 Ų | 71 | 78.5 Ų | 78.5 | 37% | 0.372 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74.3 | -39.1 | -179.2 | -71.4 | 174.3 | 0 | 0 | 0 | 113.6 | M759 S765 R766 L795 | M759-L763 WeakPolarHBondContact O-CB 3.33Å; M759-L763 WeakPolarHBondContact O-CG 3.09Å; M759-L763 PolarHBondContact O-N 3.24Å; M759-L763 HydrophobicContact SD-CD1 3.71Å; M759-L763 HydrophobicContact SD-CG 4.1Å; L763-S765 PolarHBondContact O-N 3.32Å; L763-R766 VanDerWaalsContact O-CB 3.31Å; L763-R766 WeakPolarHBondContact O-CB 3.48Å; L763-R766 PolarHBondContact O-N 2.87Å; L763-L795 HydrophobicContact CD2-CD1 4.41Å |
| 764 | N | 69.8 | Low | 61.5 | Low | 102 Ų | 102 | 85.8 Ų | 85.8 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.7 | -25.9 | 176.8 | -73.8 | -41.7 | 0 | 0 | 0 | 112.1 | A760 R766 K767 | A760-N764 WeakPolarHBondContact O-CB 3.38Å; A760-N764 VanDerWaalsContact O-CG 3.23Å; A760-N764 PolarHBondContact O-N 2.83Å; A760-N764 PolarHBondContact O-ND2 2.83Å; N764-R766 PolarHBondContact O-N 3.27Å; N764-K767 PolarHBondContact O-N 3Å |
| 765 | S | 65.2 | Low | 59.7 | Low | 79 Ų | 79 | 86.5 Ų | 86.5 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -13.7 | 169.7 | -58.8 | 0 | 0 | 0 | 0 | 113.5 | S761 V762 L763 | S761-S765 PolarHBondContact O-N 3.04Å; S761-S765 PolarHBondContact O-OG 3.05Å; V762-S765 WeakPolarHBondContact O-CB 3.3Å; L763-S765 PolarHBondContact O-N 3.32Å |
| 766 | R | 56.8 | Low | 57.6 | Low | 134 Ų | 134 | 90.7 Ų | 90.7 | 51% | 0.506 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -7.1 | 173.4 | -59.2 | -179.5 | 171.3 | -175.1 | -3.4 | 114.9 | L763 N764 I791 | L763-R766 VanDerWaalsContact O-CB 3.31Å; L763-R766 WeakPolarHBondContact O-CB 3.48Å; L763-R766 PolarHBondContact O-N 2.87Å; N764-R766 PolarHBondContact O-N 3.27Å; R766-I791 HydrophobicContact CG-CD1 4.2Å |
| 767 | K | 52.1 | Low | 55.7 | Low | 164 Ų | 164 | 93.1 Ų | 93.1 | 71% | 0.713 | 56% | 0.559 | S | S | * | * | trans | -112.6 | 35 | -163.7 | -73 | -170.6 | 173.6 | 179.9 | 0 | 115.8 | N764 P769 | N764-K767 PolarHBondContact O-N 3Å; K767-P769 VanDerWaalsContact O-CD 3.28Å; K767-P769 WeakPolarHBondContact O-CD 3.39Å | ||
| 768 | S | 41.1 | Very low | 53.5 | Low | 116 Ų | 116 | 95.2 Ų | 95.2 | 81% | 0.811 | 58% | 0.581 | S | S | * | * | trans | -115.1 | 85.6 | -179.4 | -178.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 769 | P | 41.7 | Very low | 51.7 | Low | 121 Ų | 121 | 99.4 Ų | 99.4 | 79% | 0.786 | 60% | 0.602 | S | S | * | * | trans | -107.9 | 121.8 | 171.3 | 36 | -27.2 | 0 | 0 | 0 | 114 | K767 | K767-P769 VanDerWaalsContact O-CD 3.28Å; K767-P769 WeakPolarHBondContact O-CD 3.39Å | ||
| 770 | G | 38.9 | Very low | 49.9 | Very low | 73 Ų | 73 | 106.8 Ų | 106.8 | 75% | 0.753 | 64% | 0.636 | S | S | * | * | trans | 96.6 | 121.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 771 | I | 43.7 | Very low | 48.1 | Very low | 162 Ų | 162 | 111.9 Ų | 111.9 | 83% | 0.831 | 66% | 0.657 | S | S | * | * | trans | -157.8 | 132.6 | 135.2 | -99.8 | 154.2 | 0 | 0 | 0 | 108.5 | ||||
| 772 | N | 35.1 | Very low | 46.1 | Very low | 141 Ų | 141 | 115.3 Ų | 115.3 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | trans | -27.5 | 153.1 | 172.8 | -34.5 | -41 | 0 | 0 | 0 | 116.7 | ||||
| 773 | T | 36.9 | Very low | 44.4 | Very low | 103 Ų | 103 | 120.5 Ų | 120.5 | 63% | 0.632 | 70% | 0.698 | S | S | * | * | cis | -159 | 167.3 | 37.7 | 45.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 774 | K | 36.5 | Very low | 42.8 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | trans | -4.2 | 146.7 | 145.1 | -48.7 | -177.4 | 179.3 | -177.8 | 0 | 118.3 | ||||
| 775 | D | 42.3 | Very low | 41.6 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | cis | -154.9 | 169.7 | 42.2 | -97.1 | -51.2 | 0 | 0 | 0 | 114.6 | ||||
| 776 | C | 37.2 | Very low | 40.6 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | trans | 47.6 | 123.3 | 154.5 | -66.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 777 | G | 38.4 | Very low | 40.2 | Very low | 80 Ų | 80 | 130.7 Ų | 130.7 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | 134.7 | 122.2 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 778 | A | 35.5 | Very low | 39.7 | Very low | 96 Ų | 96 | 133 Ų | 133 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | trans | -98.4 | 163.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 779 | T | 37.5 | Very low | 40 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | cis | -156.3 | 159.2 | 40.9 | 37.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 780 | E | 37.7 | Very low | 40.6 | Very low | 178 Ų | 178 | 129 Ų | 129 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | trans | 56.7 | 154.8 | 155.7 | -68.5 | 165.1 | -153.7 | 0 | 0 | 120 | ||||
| 781 | L | 38.8 | Very low | 41.3 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | cis | -155 | 164.1 | -45.3 | -153.5 | 79.2 | 0 | 0 | 0 | 106.4 | ||||
| 782 | D | 37.5 | Very low | 42.3 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 71% | 0.711 | 67% | 0.667 | S | S | * | * | trans | 45.6 | 110.4 | 166 | -63.8 | -20.5 | 0 | 0 | 0 | 121.3 | ||||
| 783 | N | 38 | Very low | 44.1 | Very low | 128 Ų | 128 | 122 Ų | 122 | 68% | 0.684 | 65% | 0.654 | S | S | * | * | trans | -176.3 | 52.2 | 130.2 | -108.4 | -80.4 | 0 | 0 | 0 | 115.1 | F785 | N783-F785 VanDerWaalsContact C-N 3.3Å; N783-F785 PolarHBondContact O-N 3.46Å | ||
| 784 | N | 37.7 | Very low | 45.6 | Very low | 169 Ų | 169 | 122 Ų | 122 | 90% | 0.904 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 50.2 | -174.3 | -108.5 | -15.9 | 0 | 0 | 0 | 115.4 | ||
| 785 | F | 44.5 | Very low | 47.3 | Very low | 185 Ų | 185 | 115.3 Ų | 115.3 | 81% | 0.811 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | -11 | 177.3 | -148.4 | -98.2 | 0 | 0 | 0 | 115.7 | N783 | N783-F785 VanDerWaalsContact C-N 3.3Å; N783-F785 PolarHBondContact O-N 3.46Å |
| 786 | R | 44.7 | Very low | 48.9 | Very low | 165 Ų | 165 | 114.9 Ų | 114.9 | 62% | 0.623 | 61% | 0.609 | S | S | * | * | trans | -92.6 | -5.2 | -169.1 | -69.8 | -171.9 | 177.8 | -150.6 | -2 | 116.9 | R788 M1142 | R786-R788 VanDerWaalsContact C-N 3.34Å; R786-R788 PolarHBondContact O-N 2.89Å; R786-M1142 HydrophobicContact CB-CE 3.91Å | ||
| 787 | V | 47.4 | Very low | 50.7 | Low | 81 Ų | 81 | 113.6 Ų | 113.6 | 49% | 0.491 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.1 | -7.9 | -171.2 | -175.7 | 0 | 0 | 0 | 0 | 114 | M1142 | V787-M1142 HydrophobicContact CG2-CE 4.22Š|
| 788 | R | 43.3 | Very low | 52.3 | Low | 214 Ų | 214 | 110 Ų | 110 | 81% | 0.808 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -21.9 | 178.3 | -83.8 | -176.5 | 171.8 | 163.4 | -1.7 | 115.1 | R786 | R786-R788 VanDerWaalsContact C-N 3.34Å; R786-R788 PolarHBondContact O-N 2.89Å |
| 789 | N | 47.6 | Very low | 54.1 | Low | 117 Ų | 117 | 109.4 Ų | 109.4 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -16 | -164.6 | -64.5 | 16.9 | 0 | 0 | 0 | 114.2 | H792 P793 | N789-H792 VanDerWaalsContact O-CB 3.25Å; N789-H792 WeakPolarHBondContact O-CB 3.35Å; N789-H792 PolarHBondContact O-N 3.14Å; N789-P793 WeakPolarHBondContact O-CD 3.32Å |
| 790 | T | 53.5 | Low | 55.9 | Low | 36 Ų | 36 | 109 Ų | 109 | 22% | 0.221 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -38.2 | -171 | 66.3 | 0 | 0 | 0 | 0 | 112.8 | H792 P793 E1143 | T790-H792 VanDerWaalsContact C-N 3.29Å; T790-P793 WeakPolarHBondContact O-CD 3.11Å; T790-E1143 WeakPolarHBondContact CB-OE1 3.46Å; T790-E1143 WeakPolarHBondContact CB-OE2 3.35Å; T790-E1143 HydrophobicContact CG2-CB 4Å; T790-E1143 HydrophobicContact CG2-CG 4.49Å; T790-E1143 WeakPolarHBondContact CG2-OE2 3.45Å |
| 791 | I | 53.6 | Low | 57.4 | Low | 59 Ų | 59 | 103.4 Ų | 103.4 | 30% | 0.303 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -21.6 | 174.6 | -61 | 176.8 | 0 | 0 | 0 | 110.7 | R766 Y794 L795 | R766-I791 HydrophobicContact CG-CD1 4.2Å; I791-Y794 PolarHBondContact O-N 3.33Å; I791-L795 HydrophobicContact CG2-CB 4.49Å; I791-L795 WeakPolarHBondContact O-CB 3.32Å; I791-L795 PolarHBondContact O-N 3.18Å |
| 792 | H | 65.4 | Low | 59.1 | Low | 96 Ų | 96 | 98 Ų | 98 | 44% | 0.444 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -53.9 | -51.8 | -174.2 | -154.2 | -86.7 | 0 | 0 | 0 | 114.3 | N789 T790 Y794 L795 Q796 | N789-H792 VanDerWaalsContact O-CB 3.25Å; N789-H792 WeakPolarHBondContact O-CB 3.35Å; N789-H792 PolarHBondContact O-N 3.14Å; T790-H792 VanDerWaalsContact C-N 3.29Å; H792-Y794 PolarHBondContact O-N 3.41Å; H792-L795 PolarHBondContact O-N 2.78Å; H792-Q796 PolarHBondContact CE1-OE1 3.18Å; H792-Q796 PolarHBondContact ND1-OE1 3.34Å; H792-Q796 WeakPolarHBondContact O-CB 3.45Å; H792-Q796 WeakPolarHBondContact O-CG 3.47Å; H792-Q796 PolarHBondContact O-N 2.89Å |
| 793 | P | 71.6 | Confident | 60.7 | Low | 72 Ų | 72 | 98.3 Ų | 98.3 | 47% | 0.468 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.6 | -37.2 | 180 | 24.8 | -35.4 | 0 | 0 | 0 | 113.6 | N789 T790 L795 Q797 | N789-P793 WeakPolarHBondContact O-CD 3.32Å; T790-P793 WeakPolarHBondContact O-CD 3.11Å; P793-L795 VanDerWaalsContact C-N 3.35Å; P793-Q797 WeakPolarHBondContact O-CB 3.19Å; P793-Q797 PolarHBondContact O-N 3.18Å |
| 794 | Y | 69 | Low | 62.2 | Low | 104 Ų | 104 | 98.1 Ų | 98.1 | 41% | 0.408 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71.1 | -32.2 | 175.5 | -71 | -74.8 | 0 | 0 | 0 | 112.4 | I791 H792 A798 R1206 | I791-Y794 PolarHBondContact O-N 3.33Å; H792-Y794 PolarHBondContact O-N 3.41Å; Y794-A798 WeakPolarHBondContact O-CB 3.33Å; Y794-A798 PolarHBondContact O-N 3.49Å; Y794-A798 VanDerWaalsContact O-N 3.1Å; Y794-R1206 VanDerWaalsContact CE1-NH1 3.33Å |
| 795 | L | 72.8 | Confident | 63.9 | Low | 19 Ų | 19 | 94.5 Ų | 94.5 | 10% | 0.099 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.3 | -50.2 | 172.7 | -166.8 | 81.1 | 0 | 0 | 0 | 110.5 | M759 V762 L763 I791 H792 P793 Q797 A798 E799 | M759-L795 HydrophobicContact CE-CD1 4.01Å; V762-L795 HydrophobicContact CG1-CD1 3.94Å; L763-L795 HydrophobicContact CD2-CD1 4.41Å; I791-L795 HydrophobicContact CG2-CB 4.49Å; I791-L795 WeakPolarHBondContact O-CB 3.32Å; I791-L795 PolarHBondContact O-N 3.18Å; H792-L795 PolarHBondContact O-N 2.78Å; P793-L795 VanDerWaalsContact C-N 3.35Å; L795-Q797 VanDerWaalsContact C-N 3.31Å; L795-Q797 PolarHBondContact O-N 3.47Å; L795-A798 CarbonylContact O-C 3.45Å; L795-A798 PolarHBondContact O-N 3.13Å; L795-A798 VanDerWaalsContact O-N 3.12Å; L795-E799 VanDerWaalsContact CD2-OE1 3.23Å; L795-E799 WeakPolarHBondContact CD2-OE1 3.22Å; L795-E799 HydrophobicContact CG-CG 4.25Å; L795-E799 WeakPolarHBondContact CG-OE1 3.2Å; L795-E799 WeakPolarHBondContact O-CB 3.39Å; L795-E799 VanDerWaalsContact O-CG 3.29Å; L795-E799 WeakPolarHBondContact O-CG 3.45Å; L795-E799 PolarHBondContact O-N 2.75Å |
| 796 | Q | 74.5 | Confident | 65.2 | Low | 102 Ų | 102 | 90.9 Ų | 90.9 | 48% | 0.477 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 178.2 | -74 | 178.2 | -69 | 0 | 0 | 112.4 | H792 E799 K800 | H792-Q796 PolarHBondContact CE1-OE1 3.18Å; H792-Q796 PolarHBondContact ND1-OE1 3.34Å; H792-Q796 WeakPolarHBondContact O-CB 3.45Å; H792-Q796 WeakPolarHBondContact O-CG 3.47Å; H792-Q796 PolarHBondContact O-N 2.89Å; Q796-E799 PolarHBondContact O-N 3.2Å; Q796-K800 VanDerWaalsContact O-CB 3.29Å; Q796-K800 WeakPolarHBondContact O-CB 3.43Å; Q796-K800 PolarHBondContact O-N 2.95Å |
| 797 | Q | 76.5 | Confident | 66.8 | Low | 92 Ų | 92 | 86.1 Ų | 86.1 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.5 | -43 | 174.7 | -179.9 | 56.9 | 33.1 | 0 | 0 | 111.4 | P793 L795 K800 E801 | P793-Q797 WeakPolarHBondContact O-CB 3.19Å; P793-Q797 PolarHBondContact O-N 3.18Å; L795-Q797 VanDerWaalsContact C-N 3.31Å; L795-Q797 PolarHBondContact O-N 3.47Å; Q797-K800 PolarHBondContact O-N 3.31Å; Q797-E801 WeakPolarHBondContact CG-OE1 3.24Å; Q797-E801 PolarHBondContact NE2-OE1 3.22Å; Q797-E801 WeakPolarHBondContact O-CB 3.29Å; Q797-E801 WeakPolarHBondContact O-CG 3.42Å; Q797-E801 PolarHBondContact O-N 2.66Å |
| 798 | A | 71.2 | Confident | 68 | Low | 5 Ų | 5 | 87.6 Ų | 87.6 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.6 | -34.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M759 V762 Y794 L795 E801 I802 | M759-A798 HydrophobicContact CE-CB 3.62Å; V762-A798 HydrophobicContact CG2-CB 4.12Å; Y794-A798 WeakPolarHBondContact O-CB 3.33Å; Y794-A798 PolarHBondContact O-N 3.49Å; Y794-A798 VanDerWaalsContact O-N 3.1Å; L795-A798 CarbonylContact O-C 3.45Å; L795-A798 PolarHBondContact O-N 3.13Å; L795-A798 VanDerWaalsContact O-N 3.12Å; A798-E801 PolarHBondContact O-N 2.85Å; A798-I802 VanDerWaalsContact O-CG1 3.23Å; A798-I802 WeakPolarHBondContact O-CG1 3.33Å; A798-I802 PolarHBondContact O-N 3.22Å |
| 799 | E | 74.1 | Confident | 69.9 | Low | 83 Ų | 83 | 77.6 Ų | 77.6 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.6 | -37.1 | 173.8 | -75 | 167.9 | 164.3 | 0 | 0 | 111.1 | M759 L795 Q796 I802 I803 | M759-E799 HydrophobicContact CE-CG 4.31Å; L795-E799 VanDerWaalsContact CD2-OE1 3.23Å; L795-E799 WeakPolarHBondContact CD2-OE1 3.22Å; L795-E799 HydrophobicContact CG-CG 4.25Å; L795-E799 WeakPolarHBondContact CG-OE1 3.2Å; L795-E799 WeakPolarHBondContact O-CB 3.39Å; L795-E799 VanDerWaalsContact O-CG 3.29Å; L795-E799 WeakPolarHBondContact O-CG 3.45Å; L795-E799 PolarHBondContact O-N 2.75Å; Q796-E799 PolarHBondContact O-N 3.2Å; E799-I802 HydrophobicContact CG-CD1 4.4Å; E799-I802 WeakPolarHBondContact O-CB 3.44Å; E799-I802 PolarHBondContact O-N 2.89Å; E799-I803 WeakPolarHBondContact O-CD1 3.35Å; E799-I803 VanDerWaalsContact O-CG1 3.24Å; E799-I803 WeakPolarHBondContact O-CG1 3.45Å; E799-I803 PolarHBondContact O-N 3.33Å |
| 800 | K | 74.7 | Confident | 71.9 | Confident | 105 Ų | 105 | 73 Ų | 73 | 46% | 0.457 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 169.2 | -178.1 | -179.5 | 169.6 | -177.5 | 0 | 111.4 | Q796 Q797 I802 I803 E804 | Q796-K800 VanDerWaalsContact O-CB 3.29Å; Q796-K800 WeakPolarHBondContact O-CB 3.43Å; Q796-K800 PolarHBondContact O-N 2.95Å; Q797-K800 PolarHBondContact O-N 3.31Å; K800-I802 VanDerWaalsContact C-N 3.3Å; K800-I802 PolarHBondContact O-N 3.49Å; K800-I803 PolarHBondContact O-N 3.39Å; K800-E804 WeakPolarHBondContact CE-OE1 3.41Å; K800-E804 WeakPolarHBondContact CE-OE2 3.37Å; K800-E804 HydrophobicContact CG-CG 4.42Å; K800-E804 IonicContact NZ-OE1 3.22Å; K800-E804 PolarHBondContact NZ-OE1 3.49Å; K800-E804 WeakPolarHBondContact O-CG 3.41Å; K800-E804 PolarHBondContact O-N 2.87Å |
| 801 | E | 69.1 | Low | 73.6 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 29% | 0.29 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.3 | -34.5 | 175.8 | -74.5 | 164.3 | -162.7 | 0 | 0 | 112.3 | Q797 A798 Q805 | Q797-E801 WeakPolarHBondContact CG-OE1 3.24Å; Q797-E801 PolarHBondContact NE2-OE1 3.22Å; Q797-E801 WeakPolarHBondContact O-CB 3.29Å; Q797-E801 WeakPolarHBondContact O-CG 3.42Å; Q797-E801 PolarHBondContact O-N 2.66Å; A798-E801 PolarHBondContact O-N 2.85Å; E801-Q805 VanDerWaalsContact O-CB 3.28Å; E801-Q805 WeakPolarHBondContact O-CB 3.49Å; E801-Q805 WeakPolarHBondContact O-CG 3.35Å; E801-Q805 PolarHBondContact O-N 2.87Å |
| 802 | I | 74.7 | Confident | 75.3 | Confident | 30 Ų | 30 | 73.2 Ų | 73.2 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.7 | -54.2 | 166.5 | -65.6 | 157.4 | 0 | 0 | 0 | 109.8 | W755 M759 A798 E799 K800 E804 Q805 R806 | W755-I802 HydrophobicContact CE3-CB 4.45Å; W755-I802 HydrophobicContact CE3-CG1 3.88Å; W755-I802 HydrophobicContact CE3-CG2 4.37Å; W755-I802 HydrophobicContact CZ3-CG1 4.27Å; W755-I802 HydrophobicContact CZ3-CG2 4.29Å; M759-I802 HydrophobicContact CE-CD1 3.9Å; M759-I802 HydrophobicContact CG-CD1 3.26Å; M759-I802 HydrophobicContact CG-CG1 3.6Å; M759-I802 HydrophobicContact SD-CD1 3.56Å; M759-I802 VanDerWaalsContact SD-CD1 3.56Å; A798-I802 VanDerWaalsContact O-CG1 3.23Å; A798-I802 WeakPolarHBondContact O-CG1 3.33Å; A798-I802 PolarHBondContact O-N 3.22Å; E799-I802 HydrophobicContact CG-CD1 4.4Å; E799-I802 WeakPolarHBondContact O-CB 3.44Å; E799-I802 PolarHBondContact O-N 2.89Å; K800-I802 VanDerWaalsContact C-N 3.3Å; K800-I802 PolarHBondContact O-N 3.49Å; I802-E804 PolarHBondContact O-N 3.33Å; I802-Q805 PolarHBondContact O-N 2.84Å; I802-R806 HydrophobicContact CG2-CB 3.79Å; I802-R806 HydrophobicContact CG2-CG 4.36Å; I802-R806 WeakPolarHBondContact O-CA 3.39Å; I802-R806 WeakPolarHBondContact O-CB 3.42Å; I802-R806 PolarHBondContact O-N 2.68Å |
| 803 | I | 70 | Confident | 76.6 | Confident | 140 Ų | 140 | 69.3 Ų | 69.3 | 72% | 0.718 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.8 | -31.4 | -174.9 | -68.8 | 161.6 | 0 | 0 | 0 | 111.8 | E799 K800 | E799-I803 WeakPolarHBondContact O-CD1 3.35Å; E799-I803 VanDerWaalsContact O-CG1 3.24Å; E799-I803 WeakPolarHBondContact O-CG1 3.45Å; E799-I803 PolarHBondContact O-N 3.33Å; K800-I803 PolarHBondContact O-N 3.39Å |
| 804 | E | 71.3 | Confident | 77.6 | Confident | 124 Ų | 124 | 70.8 Ų | 70.8 | 58% | 0.579 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -83.5 | -29.4 | 178.3 | -69.9 | 177.5 | 159.6 | 0 | 0 | 114 | K800 I802 | K800-E804 WeakPolarHBondContact CE-OE1 3.41Å; K800-E804 WeakPolarHBondContact CE-OE2 3.37Å; K800-E804 HydrophobicContact CG-CG 4.42Å; K800-E804 IonicContact NZ-OE1 3.22Å; K800-E804 PolarHBondContact NZ-OE1 3.49Å; K800-E804 WeakPolarHBondContact O-CG 3.41Å; K800-E804 PolarHBondContact O-N 2.87Å; I802-E804 PolarHBondContact O-N 3.33Å |
| 805 | Q | 71.4 | Confident | 78.7 | Confident | 94 Ų | 94 | 65.8 Ų | 65.8 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -113.7 | -25.4 | -173.1 | -58.5 | -177.6 | 19.4 | 0 | 0 | 115.5 | W755 E801 I802 R807 | W755-Q805 HydrophobicContact CB-CB 4.01Å; W755-Q805 HydrophobicContact CG-CB 4.08Å; E801-Q805 VanDerWaalsContact O-CB 3.28Å; E801-Q805 WeakPolarHBondContact O-CB 3.49Å; E801-Q805 WeakPolarHBondContact O-CG 3.35Å; E801-Q805 PolarHBondContact O-N 2.87Å; I802-Q805 PolarHBondContact O-N 2.84Å; Q805-R807 PolarHBondContact O-N 3.24Å |
| 806 | R | 72 | Confident | 79.5 | Confident | 109 Ų | 109 | 65.9 Ų | 65.9 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | trans | -71.5 | 121.3 | -176.7 | 173.3 | 179.3 | 166.4 | -106.7 | -9.5 | 110.6 | W755 I802 E808 | W755-R806 HydrophobicContact CD2-CB 4.21Å; W755-R806 HydrophobicContact CE3-CB 4.39Å; W755-R806 HydrophobicContact CH2-CB 3.96Å; W755-R806 HydrophobicContact CH2-CG 3.63Å; W755-R806 HydrophobicContact CZ2-CB 3.74Å; W755-R806 HydrophobicContact CZ2-CG 3.62Å; W755-R806 HydrophobicContact CZ3-CB 4.27Å; W755-R806 HydrophobicContact CZ3-CG 4.29Å; I802-R806 HydrophobicContact CG2-CB 3.79Å; I802-R806 HydrophobicContact CG2-CG 4.36Å; I802-R806 WeakPolarHBondContact O-CA 3.39Å; I802-R806 WeakPolarHBondContact O-CB 3.42Å; I802-R806 PolarHBondContact O-N 2.68Å; R806-E808 IonicContact CZ-OE1 2.74Å; R806-E808 IonicContact NH1-OE1 2.65Å; R806-E808 PolarHBondContact NH1-OE1 3.26Å; R806-E808 IonicContact NH2-OE1 3.89Å; R806-E808 PolarHBondContact O-N 2.69Å | ||
| 807 | R | 79.7 | Confident | 80.2 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 24% | 0.242 | 30% | 0.298 | C | S | . | . | trans | -85 | 111.2 | 171.8 | -62.4 | 177.8 | 177.9 | 118.5 | -10.1 | 110 | G16 Q805 A809 M810 E831 | G16-R807 PolarHBondContact O-NH2 3.44Å; Q805-R807 PolarHBondContact O-N 3.24Å; R807-A809 VanDerWaalsContact C-N 3.25Å; R807-A809 PolarHBondContact O-N 2.88Å; R807-M810 HydrophobicContact CB-CB 4.13Å; R807-M810 HydrophobicContact CB-CG 3.98Å; R807-M810 HydrophobicContact CB-SD 4.37Å; R807-M810 PolarHBondContact O-N 3.43Å; R807-M810 VanDerWaalsContact O-N 3.1Å; R807-E831 IonicContact CZ-OE2 2.69Å; R807-E831 IonicContact NH1-OE2 3.43Å; R807-E831 PolarHBondContact NH1-OE2 3.09Å | ||
| 808 | E | 72.3 | Confident | 80.6 | Confident | 112 Ų | 112 | 66.4 Ų | 66.4 | 52% | 0.523 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.5 | -170.9 | -62.9 | -135.9 | 112.8 | 0 | 0 | 114.7 | R806 | R806-E808 IonicContact CZ-OE1 2.74Å; R806-E808 IonicContact NH1-OE1 2.65Å; R806-E808 PolarHBondContact NH1-OE1 3.26Å; R806-E808 IonicContact NH2-OE1 3.89Å; R806-E808 PolarHBondContact O-N 2.69Å |
| 809 | A | 83.8 | Confident | 80.8 | Confident | 4 Ų | 4 | 67 Ų | 67 | 3% | 0.033 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 9.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | E14 Y688 R807 | E14-A809 HydrophobicContact CB-CB 4.34Å; E14-A809 HydrophobicContact CG-CB 3.52Å; Y688-A809 HydrophobicContact CE1-CB 3.64Å; R807-A809 VanDerWaalsContact C-N 3.25Å; R807-A809 PolarHBondContact O-N 2.88Å |
| 810 | M | 88.8 | Confident | 80.6 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 11% | 0.108 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 154.9 | 170.5 | -70.7 | -158.8 | 144.6 | 0 | 0 | 112.4 | S13 E14 T15 G16 R807 E831 V832 C833 Y842 | S13-M810 WeakPolarHBondContact O-CG 3.19Å; E14-M810 WeakPolarHBondContact O-CE 3.23Å; T15-M810 WeakPolarHBondContact O-CE 3.28Å; G16-M810 VanDerWaalsContact CA-CE 3.48Å; G16-M810 VanDerWaalsContact N-CE 3.31Å; R807-M810 HydrophobicContact CB-CB 4.13Å; R807-M810 HydrophobicContact CB-CG 3.98Å; R807-M810 HydrophobicContact CB-SD 4.37Å; R807-M810 PolarHBondContact O-N 3.43Å; R807-M810 VanDerWaalsContact O-N 3.1Å; M810-E831 HydrophobicContact CB-CB 4.4Å; M810-E831 HydrophobicContact SD-CB 3.81Å; M810-V832 WeakPolarHBondContact CA-O 3.43Å; M810-V832 WeakPolarHBondContact CB-O 3.43Å; M810-C833 HydrophobicContact CE-CB 3.92Å; M810-Y842 HydrophobicContact CE-CD2 3.63Å; M810-Y842 HydrophobicContact CE-CE2 3.75Å |
| 811 | C | 89.5 | Confident | 80.4 | Confident | 44 Ų | 44 | 75.4 Ų | 75.4 | 30% | 0.297 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 137.2 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | T727 V832 C834 | T727-C811 HydrophobicContact CG2-CB 3.94Å; C811-V832 HydrophobicContact CB-CG2 4.22Å; C811-V832 PolarHBondContact N-O 3.09Å; C811-V832 WeakPolarHBondContact O-CG2 3.33Å; C811-V832 PolarHBondContact O-N 2.96Å; C811-C834 WeakPolarHBondContact CB-SG 3.39Å; C811-C834 PolarHBondContact N-SG 3.31Å |
| 812 | V | 89.5 | Confident | 80.5 | Confident | 55 Ų | 55 | 82.1 Ų | 82.1 | 33% | 0.333 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 118.9 | 172.1 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | W755 V756 P829 V830 | W755-V812 HydrophobicContact CH2-CG2 3.94Å; W755-V812 HydrophobicContact CZ2-CG2 3.77Å; V756-V812 HydrophobicContact CG1-CG1 4.2Å; V756-V812 HydrophobicContact CG2-CG1 3.96Å; V756-V812 HydrophobicContact CG2-CG2 3.77Å; V812-P829 HydrophobicContact CG1-CB 3.64Å; V812-V830 WeakPolarHBondContact CA-O 3.43Å |
| 813 | V | 92.4 | Very high | 80.6 | Confident | 13 Ų | 13 | 83 Ų | 83 | 8% | 0.079 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 144.1 | 175.6 | -66 | 0 | 0 | 0 | 0 | 111.1 | T727 Q731 V815 V830 V832 | T727-V813 HydrophobicContact CG2-CG1 3.69Å; Q731-V813 HydrophobicContact CB-CB 4.34Å; Q731-V813 HydrophobicContact CB-CG1 4.41Å; Q731-V813 HydrophobicContact CB-CG2 4.06Å; Q731-V813 HydrophobicContact CG-CB 3.97Å; Q731-V813 HydrophobicContact CG-CG1 4.46Å; Q731-V813 HydrophobicContact CG-CG2 3.89Å; V813-V815 HydrophobicContact CG2-CG2 4.31Å; V813-V830 HydrophobicContact CG2-CB 4.4Å; V813-V830 WeakPolarHBondContact CG2-O 3.37Å; V813-V830 PolarHBondContact N-O 3.29Å; V813-V830 PolarHBondContact O-N 3.02Å; V813-V832 HydrophobicContact CB-CG2 4.5Å; V813-V832 HydrophobicContact CG1-CG2 3.8Å; V813-V832 HydrophobicContact CG2-CB 4.42Å; V813-V832 HydrophobicContact CG2-CG1 3.62Å; V813-V832 HydrophobicContact CG2-CG2 3.89Å |
| 814 | L | 91.6 | Very high | 81.3 | Confident | 103 Ų | 103 | 81 Ų | 81 | 54% | 0.539 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 122.5 | 172 | -68.5 | 173.9 | 0 | 0 | 0 | 110 | Q731 P829 | Q731-L814 PolarHBondContact NE2-O 3.06Å; L814-P829 HydrophobicContact CD2-CB 4.46Å |
| 815 | V | 92.5 | Very high | 82 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137.3 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | Q731 I734 I738 L748 V813 E827 V828 V830 | Q731-V815 HydrophobicContact CG-CG2 4.47Å; I734-V815 HydrophobicContact CG2-CG2 4.4Å; I738-V815 HydrophobicContact CD1-CG1 4.06Å; L748-V815 HydrophobicContact CD1-CB 3.93Å; L748-V815 HydrophobicContact CD1-CG1 3.63Å; V813-V815 HydrophobicContact CG2-CG2 4.31Å; V815-E827 WeakPolarHBondContact O-CA 3.37Å; V815-V828 PolarHBondContact N-O 2.8Å; V815-V828 PolarHBondContact O-N 3.06Å; V815-V830 HydrophobicContact CB-CG2 3.79Å; V815-V830 HydrophobicContact CG2-CB 3.95Å; V815-V830 HydrophobicContact CG2-CG2 3.61Å |
| 816 | S | 89.8 | Confident | 82.8 | Confident | 21 Ų | 21 | 78.2 Ų | 78.2 | 15% | 0.147 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139 | -171.7 | 62.9 | 0 | 0 | 0 | 0 | 115.9 | R739 K825 I826 E827 | R739-S816 PolarHBondContact NE-O 3.06Å; R739-S816 PolarHBondContact NH2-O 3.45Å; S816-K825 WeakPolarHBondContact OG-CE 3.42Å; S816-I826 VanDerWaalsContact CA-O 3.29Å; S816-I826 WeakPolarHBondContact CA-O 3.41Å; S816-E827 VanDerWaalsContact CB-OE1 3.22Å; S816-E827 WeakPolarHBondContact CB-OE1 2.95Å |
| 817 | V | 88.8 | Confident | 83.6 | Confident | 7 Ų | 7 | 77.4 Ų | 77.4 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 134.5 | -173.3 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | I738 P744 V745 L748 I826 | I738-V817 HydrophobicContact CG2-CG2 3.64Å; P744-V817 HydrophobicContact CB-CG1 3.63Å; V745-V817 HydrophobicContact CG2-CG1 4.28Å; L748-V817 HydrophobicContact CB-CG2 4.38Å; L748-V817 HydrophobicContact CD1-CG2 4.29Å; L748-V817 HydrophobicContact CD2-CB 4.09Å; L748-V817 HydrophobicContact CD2-CG2 3.92Å; L748-V817 HydrophobicContact CG-CG2 4.44Å; V817-I826 PolarHBondContact N-O 3.09Å; V817-I826 PolarHBondContact O-N 2.79Å |
| 818 | R | 84.8 | Confident | 84.1 | Confident | 197 Ų | 197 | 74.4 Ų | 74.4 | 74% | 0.743 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124.9 | 173.8 | -174.7 | 175.9 | -76.3 | 163.5 | -2.8 | 110.2 | P820 G823 | R818-P820 VanDerWaalsContact O-CD 3.27Å; R818-P820 WeakPolarHBondContact O-CD 3.47Å; R818-G823 WeakPolarHBondContact CG-O 3.46Å |
| 819 | C | 76.9 | Confident | 85 | Confident | 19 Ų | 19 | 69.7 Ų | 69.7 | 13% | 0.128 | 34% | 0.34 | C | S | . | . | trans | -62.9 | 116 | 175.1 | -81.3 | 0 | 0 | 0 | 0 | 111.7 | R821 R822 G823 I824 I826 | C819-R821 PolarHBondContact O-N 2.92Å; C819-R821 VanDerWaalsContact O-N 3.11Å; C819-R822 HydrophobicContact CB-CB 4.04Å; C819-R822 PolarHBondContact O-N 3.28Å; C819-G823 PolarHBondContact O-N 3.09Å; C819-I824 WeakPolarHBondContact CB-O 3.21Å; C819-I824 PolarHBondContact N-O 3.12Å; C819-I826 WeakPolarHBondContact SG-CD1 3.16Å | ||
| 820 | P | 69.5 | Low | 85.4 | Confident | 114 Ų | 114 | 69.5 Ų | 69.5 | 74% | 0.74 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.2 | -177.4 | -26.2 | 35.9 | 0 | 0 | 0 | 114.7 | R818 | R818-P820 VanDerWaalsContact O-CD 3.27Å; R818-P820 WeakPolarHBondContact O-CD 3.47Å |
| 821 | R | 69.3 | Low | 85.5 | Confident | 250 Ų | 250 | 69.5 Ų | 69.5 | 94% | 0.943 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -10.3 | -179.1 | -68.9 | -176.1 | 175.7 | 178.9 | -3.1 | 115.3 | C819 | C819-R821 PolarHBondContact O-N 2.92Å; C819-R821 VanDerWaalsContact O-N 3.11Å |
| 822 | R | 71.9 | Confident | 85.7 | Confident | 203 Ų | 203 | 67.4 Ų | 67.4 | 77% | 0.766 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | -11 | -173.7 | -73 | -171.8 | 177.4 | 172.3 | -0.2 | 114.6 | C819 I824 | C819-R822 HydrophobicContact CB-CB 4.04Å; C819-R822 PolarHBondContact O-N 3.28Å; R822-I824 HydrophobicContact CB-CB 4.48Å; R822-I824 HydrophobicContact CB-CD1 4.1Å; R822-I824 HydrophobicContact CB-CG1 4.22Å; R822-I824 PolarHBondContact O-N 3.12Å |
| 823 | G | 77.9 | Confident | 85.9 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 50% | 0.495 | 31% | 0.308 | S | S | . | . | trans | 70.7 | -23.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R818 C819 K825 | R818-G823 WeakPolarHBondContact CG-O 3.46Å; C819-G823 PolarHBondContact O-N 3.09Å; G823-K825 PolarHBondContact O-N 3.28Å | ||
| 824 | I | 84 | Confident | 85.8 | Confident | 98 Ų | 98 | 65.9 Ų | 65.9 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 132.3 | 175.1 | -61.4 | 169.9 | 0 | 0 | 0 | 110.9 | C819 R822 | C819-I824 WeakPolarHBondContact CB-O 3.21Å; C819-I824 PolarHBondContact N-O 3.12Å; R822-I824 HydrophobicContact CB-CB 4.48Å; R822-I824 HydrophobicContact CB-CD1 4.1Å; R822-I824 HydrophobicContact CB-CG1 4.22Å; R822-I824 PolarHBondContact O-N 3.12Å |
| 825 | K | 86.2 | Confident | 85.7 | Confident | 122 Ų | 122 | 62.8 Ų | 62.8 | 53% | 0.53 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 119 | 166.8 | -167.2 | -165.9 | -165.5 | -158.7 | 0 | 107.6 | S816 G823 E827 | S816-K825 WeakPolarHBondContact OG-CE 3.42Å; G823-K825 PolarHBondContact O-N 3.28Å; K825-E827 HydrophobicContact CD-CG 4.05Å; K825-E827 WeakPolarHBondContact CE-OE1 3.16Å; K825-E827 HydrophobicContact CG-CG 4.15Å; K825-E827 IonicContact NZ-OE1 2.62Å; K825-E827 PolarHBondContact NZ-OE1 3.42Å; K825-E827 IonicContact NZ-OE2 3.06Å |
| 826 | I | 87 | Confident | 85.5 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 133.5 | 165.7 | -65.4 | -179.2 | 0 | 0 | 0 | 106.9 | V745 L748 S816 V817 C819 V828 | V745-I826 HydrophobicContact CG1-CD1 3.8Å; V745-I826 HydrophobicContact CG2-CD1 4.45Å; L748-I826 HydrophobicContact CD2-CB 4.46Å; L748-I826 HydrophobicContact CD2-CG2 3.92Å; S816-I826 VanDerWaalsContact CA-O 3.29Å; S816-I826 WeakPolarHBondContact CA-O 3.41Å; V817-I826 PolarHBondContact N-O 3.09Å; V817-I826 PolarHBondContact O-N 2.79Å; C819-I826 WeakPolarHBondContact SG-CD1 3.16Å; I826-V828 HydrophobicContact CG2-CG2 4.12Å |
| 827 | E | 89.5 | Confident | 85.4 | Confident | 93 Ų | 93 | 67.7 Ų | 67.7 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 140.7 | 174.5 | -44.3 | -152.5 | 100 | 0 | 0 | 108.2 | V815 S816 K825 | V815-E827 WeakPolarHBondContact O-CA 3.37Å; S816-E827 VanDerWaalsContact CB-OE1 3.22Å; S816-E827 WeakPolarHBondContact CB-OE1 2.95Å; K825-E827 HydrophobicContact CD-CG 4.05Å; K825-E827 WeakPolarHBondContact CE-OE1 3.16Å; K825-E827 HydrophobicContact CG-CG 4.15Å; K825-E827 IonicContact NZ-OE1 2.62Å; K825-E827 PolarHBondContact NZ-OE1 3.42Å; K825-E827 IonicContact NZ-OE2 3.06Å |
| 828 | V | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 137.1 | -175.4 | 163.8 | 0 | 0 | 0 | 0 | 108.2 | L748 E752 V815 I826 V830 | L748-V828 HydrophobicContact CD1-CB 4.05Å; L748-V828 HydrophobicContact CD2-CB 4.03Å; L748-V828 HydrophobicContact CD2-CG2 3.73Å; L748-V828 HydrophobicContact CG-CB 3.8Å; L748-V828 HydrophobicContact CG-CG1 4.35Å; L748-V828 HydrophobicContact CG-CG2 3.77Å; E752-V828 HydrophobicContact CB-CG1 3.61Å; E752-V828 HydrophobicContact CG-CG1 3.65Å; V815-V828 PolarHBondContact N-O 2.8Å; V815-V828 PolarHBondContact O-N 3.06Å; I826-V828 HydrophobicContact CG2-CG2 4.12Å; V828-V830 HydrophobicContact CG1-CG2 4.33Å |
| 829 | P | 92.2 | Very high | 85.9 | Confident | 13 Ų | 13 | 58 Ų | 58 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 134.4 | 170.3 | 30.9 | -33.6 | 0 | 0 | 0 | 110.2 | E752 A753 V756 T757 V812 L814 | E752-P829 WeakPolarHBondContact CA-O 3.22Å; A753-P829 HydrophobicContact CB-CB 4.37Å; A753-P829 PolarHBondContact N-O 3.42Å; V756-P829 HydrophobicContact CB-CB 3.87Å; V756-P829 HydrophobicContact CB-CG 3.82Å; V756-P829 HydrophobicContact CG1-CB 3.67Å; V756-P829 HydrophobicContact CG1-CG 3.89Å; V756-P829 HydrophobicContact CG2-CB 4.37Å; T757-P829 WeakPolarHBondContact OG1-CG 3.11Å; V812-P829 HydrophobicContact CG1-CB 3.64Å; L814-P829 HydrophobicContact CD2-CB 4.46Å |
| 830 | V | 91.5 | Very high | 86.6 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131.1 | -179 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | I734 F751 V812 V813 V815 V828 | I734-V830 HydrophobicContact CD1-CG1 4.29Å; F751-V830 HydrophobicContact CB-CG1 3.99Å; F751-V830 HydrophobicContact CB-CG2 4.15Å; F751-V830 WeakPolarHBondContact O-CA 3.37Å; F751-V830 WeakPolarHBondContact O-CG1 3.39Å; F751-V830 WeakPolarHBondContact O-CG2 3.32Å; V812-V830 WeakPolarHBondContact CA-O 3.43Å; V813-V830 HydrophobicContact CG2-CB 4.4Å; V813-V830 WeakPolarHBondContact CG2-O 3.37Å; V813-V830 PolarHBondContact N-O 3.29Å; V813-V830 PolarHBondContact O-N 3.02Å; V815-V830 HydrophobicContact CB-CG2 3.79Å; V815-V830 HydrophobicContact CG2-CB 3.95Å; V815-V830 HydrophobicContact CG2-CG2 3.61Å; V828-V830 HydrophobicContact CG1-CG2 4.33Å |
| 831 | E | 91.7 | Very high | 87.6 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.2 | 170.1 | -63.8 | -168.7 | 149.7 | 0 | 0 | 110.7 | A753 W755 R807 M810 Y842 | A753-E831 HydrophobicContact CB-CG 4Å; W755-E831 PolarHBondContact NE1-OE1 3.46Å; R807-E831 IonicContact CZ-OE2 2.69Å; R807-E831 IonicContact NH1-OE2 3.43Å; R807-E831 PolarHBondContact NH1-OE2 3.09Å; M810-E831 HydrophobicContact CB-CB 4.4Å; M810-E831 HydrophobicContact SD-CB 3.81Å; E831-Y842 PolarHBondContact O-OH 2.72Å |
| 832 | V | 93.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.3 | 169.9 | -65.2 | 0 | 0 | 0 | 0 | 111.1 | T727 M730 I734 M810 C811 V813 Y842 | T727-V832 HydrophobicContact CG2-CG2 3.8Å; M730-V832 HydrophobicContact CB-CB 3.89Å; M730-V832 HydrophobicContact CB-CG1 3.82Å; I734-V832 HydrophobicContact CD1-CG1 3.71Å; M810-V832 WeakPolarHBondContact CA-O 3.43Å; M810-V832 WeakPolarHBondContact CB-O 3.43Å; C811-V832 HydrophobicContact CB-CG2 4.22Å; C811-V832 PolarHBondContact N-O 3.09Å; C811-V832 WeakPolarHBondContact O-CG2 3.33Å; C811-V832 PolarHBondContact O-N 2.96Å; V813-V832 HydrophobicContact CB-CG2 4.5Å; V813-V832 HydrophobicContact CG1-CG2 3.8Å; V813-V832 HydrophobicContact CG2-CB 4.42Å; V813-V832 HydrophobicContact CG2-CG1 3.62Å; V813-V832 HydrophobicContact CG2-CG2 3.89Å; V832-Y842 WeakPolarHBondContact CA-OH 3.38Å; V832-Y842 HydrophobicContact CB-CE1 4.42Å; V832-Y842 HydrophobicContact CG1-CE1 4.39Å; V832-Y842 WeakPolarHBondContact CG1-OH 3.46Å |
| 833 | C | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 151.6 | 172 | 63.7 | 0 | 0 | 0 | 0 | 111.1 | E14 V726 M810 A838 Y842 | E14-C833 WeakPolarHBondContact O-CB 3.38Å; V726-C833 WeakPolarHBondContact CG1-O 3.1Å; M810-C833 HydrophobicContact CE-CB 3.92Å; C833-A838 HydrophobicContact CB-CB 3.92Å; C833-Y842 HydrophobicContact CB-CD1 4.4Å; C833-Y842 HydrophobicContact CB-CD2 4.26Å; C833-Y842 HydrophobicContact CB-CG 4.02Å; C833-Y842 WeakPolarHBondContact SG-CD1 3.47Å; C833-Y842 VanDerWaalsContact SG-CG 3.56Å |
| 834 | C | 90.2 | Very high | 90.6 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 24% | 0.243 | 16% | 0.163 | C | C | . | . | trans | -111 | -15.4 | 179.7 | -58.1 | 0 | 0 | 0 | 0 | 113.7 | C811 | C811-C834 WeakPolarHBondContact CB-SG 3.39Å; C811-C834 PolarHBondContact N-SG 3.31Å | ||
| 835 | R | 88.8 | Confident | 91 | Very high | 39 Ų | 39 | 30.7 Ų | 30.7 | 15% | 0.147 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -106 | 140.1 | -169.4 | -64.7 | -72.1 | -157.6 | -173 | -1.4 | 111.1 | E14 Y688 E692 R837 A838 | E14-R835 HydrophobicContact CG-CG 3.94Å; E14-R835 IonicContact OE1-NE 3.67Å; E14-R835 PolarHBondContact OE1-NE 2.82Å; Y688-R835 VanDerWaalsContact CE1-NH2 3.3Å; E692-R835 WeakPolarHBondContact OE1-CD 3.46Å; E692-R835 IonicContact OE1-CZ 3.35Å; E692-R835 IonicContact OE1-NE 2.96Å; E692-R835 IonicContact OE1-NH1 2.75Å; E692-R835 PolarHBondContact OE1-NH1 3.12Å; E692-R835 WeakPolarHBondContact OE2-CA 3.25Å; R835-R837 HydrophobicContact CB-CG 4.29Å; R835-R837 PolarHBondContact O-N 3.07Å; R835-A838 HydrophobicContact CB-CB 4.2Å; R835-A838 WeakPolarHBondContact O-CB 3.34Å; R835-A838 PolarHBondContact O-N 3.14Å |
| 836 | T | 89.8 | Confident | 91.4 | Very high | 48 Ų | 48 | 25 Ų | 25 | 29% | 0.294 | 12% | 0.12 | S | C | . | . | G | 310 helix | trans | -60.9 | -43.6 | 179.2 | -64 | 0 | 0 | 0 | 0 | 111.8 | E692 I693 P695 A838 V839 | E692-T836 WeakPolarHBondContact CB-OG1 3.39Å; E692-T836 PolarHBondContact OE2-N 3.11Å; E692-T836 PolarHBondContact OE2-OG1 3.48Å; I693-T836 PolarHBondContact O-OG1 3.48Å; I693-T836 VanDerWaalsContact O-OG1 3.14Å; P695-T836 HydrophobicContact CG-CG2 4.44Å; T836-A838 PolarHBondContact O-N 3.37Å; T836-A838 VanDerWaalsContact O-N 3.11Å; T836-V839 VanDerWaalsContact O-CB 3.29Å; T836-V839 WeakPolarHBondContact O-CB 3.28Å; T836-V839 WeakPolarHBondContact O-CG2 3.35Å; T836-V839 PolarHBondContact O-N 3.35Å; T836-V839 VanDerWaalsContact O-N 3.09Å |
| 837 | R | 87.7 | Confident | 91.7 | Very high | 76 Ų | 76 | 23.2 Ų | 23.2 | 29% | 0.287 | 11% | 0.111 | S | C | . | . | G | 310 helix | trans | -63.6 | -13.2 | 175.2 | 66.5 | -179 | -176.7 | -175.7 | -0.7 | 115.1 | E14 G634 Y635 R835 | E14-R837 VanDerWaalsContact CD-NH2 3.31Å; E14-R837 IonicContact OE1-CZ 2.8Å; E14-R837 IonicContact OE1-NE 2.72Å; E14-R837 IonicContact OE1-NH2 3.94Å; E14-R837 PolarHBondContact OE1-NH2 3.24Å; E14-R837 IonicContact OE2-CZ 3.44Å; E14-R837 IonicContact OE2-NE 3.54Å; E14-R837 PolarHBondContact OE2-NE 3.47Å; E14-R837 IonicContact OE2-NH2 3.55Å; E14-R837 PolarHBondContact OE2-NH2 2.86Å; E14-R837 VanDerWaalsContact OE2-NH2 3.15Å; G634-R837 WeakPolarHBondContact O-CB 3.46Å; Y635-R837 HydrophobicContact CD2-CB 4.34Å; Y635-R837 HydrophobicContact CD2-CG 4.12Å; Y635-R837 HydrophobicContact CE2-CB 4.48Å; Y635-R837 VanDerWaalsContact CE2-CD 3.46Å; Y635-R837 HydrophobicContact CE2-CG 3.79Å; Y635-R837 PolarHBondContact OH-NE 3.24Å; Y635-R837 PolarHBondContact OH-NH2 3.23Å; R835-R837 HydrophobicContact CB-CG 4.29Å; R835-R837 PolarHBondContact O-N 3.07Å |
| 838 | A | 91.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -96.6 | -9.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E14 T15 C833 R835 T836 E840 Y842 | E14-A838 HydrophobicContact CB-CB 4.08Å; E14-A838 WeakPolarHBondContact O-CB 3.28Å; T15-A838 HydrophobicContact CG2-CB 3.85Å; C833-A838 HydrophobicContact CB-CB 3.92Å; R835-A838 HydrophobicContact CB-CB 4.2Å; R835-A838 WeakPolarHBondContact O-CB 3.34Å; R835-A838 PolarHBondContact O-N 3.14Å; T836-A838 PolarHBondContact O-N 3.37Å; T836-A838 VanDerWaalsContact O-N 3.11Å; A838-E840 PolarHBondContact O-N 3.08Å; A838-Y842 WeakPolarHBondContact O-CB 3.43Å; A838-Y842 PolarHBondContact O-N 3.18Å |
| 839 | V | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | -173.1 | 168.3 | 0 | 0 | 0 | 0 | 112.3 | P695 I697 V726 M730 T836 Y842 C843 L859 | P695-V839 HydrophobicContact CG-CG1 4.24Å; I697-V839 HydrophobicContact CD1-CG1 4Å; I697-V839 HydrophobicContact CG1-CG1 4.02Å; V726-V839 HydrophobicContact CG1-CG2 3.86Å; V726-V839 HydrophobicContact CG2-CG2 4.28Å; M730-V839 HydrophobicContact CE-CB 4Å; M730-V839 HydrophobicContact CE-CG1 3.61Å; M730-V839 HydrophobicContact CE-CG2 3.94Å; T836-V839 VanDerWaalsContact O-CB 3.29Å; T836-V839 WeakPolarHBondContact O-CB 3.28Å; T836-V839 WeakPolarHBondContact O-CG2 3.35Å; T836-V839 PolarHBondContact O-N 3.35Å; T836-V839 VanDerWaalsContact O-N 3.09Å; V839-Y842 PolarHBondContact O-N 2.99Å; V839-C843 WeakPolarHBondContact O-CB 3.48Å; V839-C843 PolarHBondContact O-N 2.89Å; V839-C843 PolarHBondContact O-SG 2.78Å; V839-C843 VanDerWaalsContact O-SG 3.4Å; V839-L859 HydrophobicContact CG1-CD2 3.8Å |
| 840 | E | 91.2 | Very high | 91.8 | Very high | 94 Ų | 94 | 21 Ų | 21 | 44% | 0.439 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -62.8 | -51.3 | -177.4 | -177.8 | 173.3 | -157.6 | 0 | 0 | 111.5 | A838 Y842 C843 R844 L859 | A838-E840 PolarHBondContact O-N 3.08Å; E840-Y842 PolarHBondContact O-N 2.75Å; E840-C843 WeakPolarHBondContact O-CB 3.43Å; E840-C843 PolarHBondContact O-N 2.72Å; E840-R844 WeakPolarHBondContact O-CB 3.48Å; E840-R844 PolarHBondContact O-N 3.38Å; E840-L859 HydrophobicContact CB-CD1 3.96Å; E840-L859 HydrophobicContact CB-CG 4.35Å |
| 841 | E | 91.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 5% | 0.047 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 176.9 | 179.7 | 58.2 | -151.3 | 0 | 0 | 111.2 | Y11 T15 K545 C843 R844 Q845 | Y11-E841 WeakPolarHBondContact OH-CG 3.35Å; Y11-E841 PolarHBondContact OH-OE2 3.26Å; T15-E841 HydrophobicContact CG2-CB 3.76Å; T15-E841 HydrophobicContact CG2-CG 3.66Å; K545-E841 WeakPolarHBondContact CE-OE1 3.41Å; K545-E841 WeakPolarHBondContact CE-OE2 3.44Å; K545-E841 VanDerWaalsContact NZ-CD 3.27Å; K545-E841 IonicContact NZ-OE1 3.71Å; K545-E841 PolarHBondContact NZ-OE1 3.14Å; K545-E841 IonicContact NZ-OE2 3.6Å; K545-E841 PolarHBondContact NZ-OE2 3.4Å; E841-C843 PolarHBondContact O-N 3.11Å; E841-R844 CarbonylContact O-C 3.56Å; E841-R844 WeakPolarHBondContact O-CA 3.31Å; E841-R844 VanDerWaalsContact O-CB 3.29Å; E841-R844 WeakPolarHBondContact O-CB 3.44Å; E841-R844 PolarHBondContact O-N 2.96Å; E841-R844 IonicContact OE1-CZ 3.68Å; E841-R844 IonicContact OE1-NH2 2.77Å; E841-R844 PolarHBondContact OE1-NH2 3.45Å; E841-R844 IonicContact OE2-CZ 3.24Å; E841-R844 IonicContact OE2-NE 3.61Å; E841-R844 IonicContact OE2-NH2 2.96Å; E841-R844 PolarHBondContact OE2-NH2 2.69Å; E841-Q845 HydrophobicContact CG-CG 4.47Å; E841-Q845 WeakPolarHBondContact O-CG 3.22Å; E841-Q845 PolarHBondContact O-N 3.12Å; E841-Q845 PolarHBondContact OE1-NE2 3.38Å |
| 842 | Y | 93.7 | Very high | 91.6 | Very high | 16 Ų | 16 | 23.3 Ų | 23.3 | 6% | 0.063 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.4 | -38 | -178.5 | -175.6 | -102.7 | 0 | 0 | 0 | 112.5 | T15 M730 I734 M810 E831 V832 C833 A838 V839 E840 R844 Q845 I846 | T15-Y842 WeakPolarHBondContact O-CD2 3.37Å; M730-Y842 HydrophobicContact CB-CE1 4.21Å; M730-Y842 HydrophobicContact CE-CD1 3.85Å; M730-Y842 HydrophobicContact CG-CD1 4.11Å; M730-Y842 HydrophobicContact CG-CE1 4.01Å; M730-Y842 HydrophobicContact SD-CD1 3.61Å; M730-Y842 HydrophobicContact SD-CE1 3.79Å; I734-Y842 HydrophobicContact CD1-CE1 4.01Å; I734-Y842 WeakPolarHBondContact CD1-OH 3.4Å; M810-Y842 HydrophobicContact CE-CD2 3.63Å; M810-Y842 HydrophobicContact CE-CE2 3.75Å; E831-Y842 PolarHBondContact O-OH 2.72Å; V832-Y842 WeakPolarHBondContact CA-OH 3.38Å; V832-Y842 HydrophobicContact CB-CE1 4.42Å; V832-Y842 HydrophobicContact CG1-CE1 4.39Å; V832-Y842 WeakPolarHBondContact CG1-OH 3.46Å; C833-Y842 HydrophobicContact CB-CD1 4.4Å; C833-Y842 HydrophobicContact CB-CD2 4.26Å; C833-Y842 HydrophobicContact CB-CG 4.02Å; C833-Y842 WeakPolarHBondContact SG-CD1 3.47Å; C833-Y842 VanDerWaalsContact SG-CG 3.56Å; A838-Y842 WeakPolarHBondContact O-CB 3.43Å; A838-Y842 PolarHBondContact O-N 3.18Å; V839-Y842 PolarHBondContact O-N 2.99Å; E840-Y842 PolarHBondContact O-N 2.75Å; Y842-R844 VanDerWaalsContact C-N 3.29Å; Y842-R844 PolarHBondContact O-N 3Å; Y842-Q845 PolarHBondContact O-N 3.43Å; Y842-I846 HydrophobicContact CD1-CD1 3.73Å; Y842-I846 HydrophobicContact CD1-CG1 4.47Å; Y842-I846 HydrophobicContact CE1-CD1 3.44Å; Y842-I846 VanDerWaalsContact CE1-CD1 3.44Å; Y842-I846 HydrophobicContact CE1-CG1 4.18Å; Y842-I846 WeakPolarHBondContact O-CG1 3.43Å; Y842-I846 PolarHBondContact O-N 3.1Å |
| 843 | C | 94.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.2 | -37.8 | 169.7 | -81.7 | 0 | 0 | 0 | 0 | 112.7 | V839 E840 E841 S847 L857 | V839-C843 WeakPolarHBondContact O-CB 3.48Å; V839-C843 PolarHBondContact O-N 2.89Å; V839-C843 PolarHBondContact O-SG 2.78Å; V839-C843 VanDerWaalsContact O-SG 3.4Å; E840-C843 WeakPolarHBondContact O-CB 3.43Å; E840-C843 PolarHBondContact O-N 2.72Å; E841-C843 PolarHBondContact O-N 3.11Å; C843-S847 PolarHBondContact O-N 3.3Å; C843-S847 VanDerWaalsContact O-N 3.1Å; C843-S847 PolarHBondContact O-OG 2.98Å; C843-L857 HydrophobicContact CB-CB 3.8Å; C843-L857 HydrophobicContact CB-CD1 4.46Å |
| 844 | R | 92.1 | Very high | 91.2 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 5% | 0.049 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.8 | -41.5 | 177.7 | -154.6 | 170 | 60.4 | 72.3 | 10.7 | 111.6 | T571 D586 E840 E841 Y842 S847 L848 P854 | T571-R844 VanDerWaalsContact CB-NH2 3.31Å; T571-R844 PolarHBondContact OG1-NH2 3.21Å; D586-R844 IonicContact OD1-NH2 2.78Å; E840-R844 WeakPolarHBondContact O-CB 3.48Å; E840-R844 PolarHBondContact O-N 3.38Å; E841-R844 CarbonylContact O-C 3.56Å; E841-R844 WeakPolarHBondContact O-CA 3.31Å; E841-R844 VanDerWaalsContact O-CB 3.29Å; E841-R844 WeakPolarHBondContact O-CB 3.44Å; E841-R844 PolarHBondContact O-N 2.96Å; E841-R844 IonicContact OE1-CZ 3.68Å; E841-R844 IonicContact OE1-NH2 2.77Å; E841-R844 PolarHBondContact OE1-NH2 3.45Å; E841-R844 IonicContact OE2-CZ 3.24Å; E841-R844 IonicContact OE2-NE 3.61Å; E841-R844 IonicContact OE2-NH2 2.96Å; E841-R844 PolarHBondContact OE2-NH2 2.69Å; Y842-R844 VanDerWaalsContact C-N 3.29Å; Y842-R844 PolarHBondContact O-N 3Å; R844-S847 WeakPolarHBondContact O-CB 3.28Å; R844-S847 PolarHBondContact O-N 3.26Å; R844-L848 WeakPolarHBondContact O-CG 3.46Å; R844-L848 PolarHBondContact O-N 3.01Å; R844-P854 HydrophobicContact CG-CB 3.59Å |
| 845 | Q | 93 | Very high | 91.2 | Very high | 23 Ų | 23 | 23.5 Ų | 23.5 | 11% | 0.107 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62 | -46.9 | 173.5 | -67 | -62.9 | -14.9 | 0 | 0 | 111.9 | A17 G543 E841 Y842 S847 L848 V849 | A17-Q845 HydrophobicContact CB-CG 4.36Å; G543-Q845 PolarHBondContact O-NE2 3.4Å; G543-Q845 PolarHBondContact O-OE1 3.11Å; E841-Q845 HydrophobicContact CG-CG 4.47Å; E841-Q845 WeakPolarHBondContact O-CG 3.22Å; E841-Q845 PolarHBondContact O-N 3.12Å; E841-Q845 PolarHBondContact OE1-NE2 3.38Å; Y842-Q845 PolarHBondContact O-N 3.43Å; Q845-S847 PolarHBondContact O-N 3.08Å; Q845-L848 PolarHBondContact O-N 2.75Å; Q845-L848 VanDerWaalsContact O-N 3.09Å; Q845-V849 WeakPolarHBondContact O-CG2 3.21Å; Q845-V849 PolarHBondContact O-N 3.36Å |
| 846 | I | 94.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.015 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -51.6 | -46.8 | 171.3 | -72 | 163.2 | 0 | 0 | 0 | 110.6 | I734 L737 F751 Y842 L848 V849 F850 L857 | I734-I846 HydrophobicContact CD1-CD1 4.03Å; I734-I846 HydrophobicContact CG1-CD1 3.81Å; I734-I846 HydrophobicContact CG1-CG1 4.47Å; L737-I846 HydrophobicContact CD1-CG2 3.98Å; F751-I846 HydrophobicContact CE1-CB 4.48Å; F751-I846 HydrophobicContact CE1-CG1 4.08Å; F751-I846 HydrophobicContact CE1-CG2 4.42Å; F751-I846 HydrophobicContact CZ-CG2 4.15Å; Y842-I846 HydrophobicContact CD1-CD1 3.73Å; Y842-I846 HydrophobicContact CD1-CG1 4.47Å; Y842-I846 HydrophobicContact CE1-CD1 3.44Å; Y842-I846 VanDerWaalsContact CE1-CD1 3.44Å; Y842-I846 HydrophobicContact CE1-CG1 4.18Å; Y842-I846 WeakPolarHBondContact O-CG1 3.43Å; Y842-I846 PolarHBondContact O-N 3.1Å; I846-L848 VanDerWaalsContact C-N 3.32Å; I846-L848 PolarHBondContact O-N 2.82Å; I846-V849 PolarHBondContact O-N 3.24Å; I846-F850 HydrophobicContact CG2-CD2 3.82Å; I846-F850 HydrophobicContact CG2-CE2 3.75Å; I846-F850 WeakPolarHBondContact O-CD2 3.27Å; I846-F850 PolarHBondContact O-N 2.76Å; I846-F850 VanDerWaalsContact O-N 3.12Å; I846-L857 HydrophobicContact CB-CD1 4.1Å; I846-L857 HydrophobicContact CG2-CD1 3.68Å |
| 847 | S | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | -178.5 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | C843 R844 Q845 F850 A852 C853 L857 | C843-S847 PolarHBondContact O-N 3.3Å; C843-S847 VanDerWaalsContact O-N 3.1Å; C843-S847 PolarHBondContact O-OG 2.98Å; R844-S847 WeakPolarHBondContact O-CB 3.28Å; R844-S847 PolarHBondContact O-N 3.26Å; Q845-S847 PolarHBondContact O-N 3.08Å; S847-F850 PolarHBondContact O-N 2.96Å; S847-A852 VanDerWaalsContact O-CB 3.31Å; S847-A852 WeakPolarHBondContact O-CB 3.23Å; S847-A852 PolarHBondContact O-N 2.91Å; S847-C853 WeakPolarHBondContact CB-O 3.4Å; S847-L857 WeakPolarHBondContact OG-CG 3.48Å |
| 848 | L | 91.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 17.2 Ų | 17.2 | 3% | 0.026 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -73.1 | -34.7 | 175.4 | -66.4 | 172.7 | 0 | 0 | 0 | 112.8 | T573 R844 Q845 I846 F850 E851 P854 | T573-L848 HydrophobicContact CG2-CD1 4.45Å; T573-L848 HydrophobicContact CG2-CD2 4.46Å; R844-L848 WeakPolarHBondContact O-CG 3.46Å; R844-L848 PolarHBondContact O-N 3.01Å; Q845-L848 PolarHBondContact O-N 2.75Å; Q845-L848 VanDerWaalsContact O-N 3.09Å; I846-L848 VanDerWaalsContact C-N 3.32Å; I846-L848 PolarHBondContact O-N 2.82Å; L848-F850 PolarHBondContact O-N 2.77Å; L848-E851 WeakPolarHBondContact O-CA 3.47Å; L848-E851 PolarHBondContact O-N 3.3Å; L848-P854 HydrophobicContact CD2-CB 4.36Å |
| 849 | V | 90.9 | Very high | 91.4 | Very high | 52 Ų | 52 | 19.6 Ų | 19.6 | 32% | 0.315 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -62.1 | -31.8 | 170.5 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | M750 F751 Q845 I846 E851 | M750-V849 HydrophobicContact CB-CG1 4.24Å; M750-V849 HydrophobicContact CE-CG1 3.96Å; M750-V849 WeakPolarHBondContact CE-O 3.42Å; F751-V849 HydrophobicContact CD1-CG1 4.45Å; F751-V849 HydrophobicContact CE1-CB 4.08Å; F751-V849 HydrophobicContact CE1-CG1 3.83Å; F751-V849 HydrophobicContact CE1-CG2 4.4Å; F751-V849 HydrophobicContact CE2-CG1 3.93Å; F751-V849 HydrophobicContact CZ-CB 3.93Å; F751-V849 HydrophobicContact CZ-CG1 3.53Å; Q845-V849 WeakPolarHBondContact O-CG2 3.21Å; Q845-V849 PolarHBondContact O-N 3.36Å; I846-V849 PolarHBondContact O-N 3.24Å; V849-E851 PolarHBondContact O-N 2.85Å |
| 850 | F | 91.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 1.6 | 170.2 | -79.6 | -69.2 | 0 | 0 | 0 | 114.3 | F708 L709 L737 I738 V747 F751 I846 S847 L848 A852 | F708-F850 HydrophobicContact CB-CD1 3.89Å; F708-F850 WeakPolarHBondContact CD2-O 3.48Å; L709-F850 HydrophobicContact CD1-CB 4.28Å; L709-F850 HydrophobicContact CD1-CD1 4.06Å; L709-F850 HydrophobicContact CD1-CD2 4.4Å; L709-F850 HydrophobicContact CD1-CE1 4.49Å; L709-F850 HydrophobicContact CD1-CG 4.01Å; L709-F850 HydrophobicContact CD2-CD1 3.77Å; L709-F850 HydrophobicContact CD2-CE1 3.45Å; L709-F850 VanDerWaalsContact CD2-CE1 3.45Å; L709-F850 HydrophobicContact CD2-CG 4.44Å; L709-F850 HydrophobicContact CD2-CZ 3.94Å; L709-F850 HydrophobicContact CG-CD1 3.6Å; L709-F850 HydrophobicContact CG-CE1 3.87Å; L709-F850 HydrophobicContact CG-CG 4.08Å; L737-F850 HydrophobicContact CB-CE2 3.87Å; L737-F850 HydrophobicContact CB-CZ 3.77Å; L737-F850 HydrophobicContact CD1-CE2 4.13Å; I738-F850 HydrophobicContact CG1-CZ 4.47Å; V747-F850 HydrophobicContact CG1-CD1 4.26Å; V747-F850 HydrophobicContact CG1-CE1 3.38Å; V747-F850 HydrophobicContact CG1-CZ 3.73Å; V747-F850 HydrophobicContact CG2-CE1 4.46Å; F751-F850 AromaticContact CE2-CE2 3.95Å; F751-F850 HydrophobicContact CE2-CE2 3.95Å; F751-F850 AromaticContact CE2-CZ 3.96Å; F751-F850 HydrophobicContact CE2-CZ 3.96Å; F751-F850 HydrophobicContact CZ-CD2 4.24Å; F751-F850 AromaticContact CZ-CE2 3.82Å; F751-F850 HydrophobicContact CZ-CE2 3.82Å; F751-F850 HydrophobicContact CZ-CZ 4.31Å; I846-F850 HydrophobicContact CG2-CD2 3.82Å; I846-F850 HydrophobicContact CG2-CE2 3.75Å; I846-F850 WeakPolarHBondContact O-CD2 3.27Å; I846-F850 PolarHBondContact O-N 2.76Å; I846-F850 VanDerWaalsContact O-N 3.12Å; S847-F850 PolarHBondContact O-N 2.96Å; L848-F850 PolarHBondContact O-N 2.77Å; F850-A852 HydrophobicContact CB-CB 4.15Å; F850-A852 PolarHBondContact O-N 2.84Å; F850-A852 VanDerWaalsContact O-N 3.15Å |
| 851 | E | 88.7 | Confident | 90.4 | Very high | 66 Ų | 66 | 23.4 Ų | 23.4 | 31% | 0.308 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 30.1 | -167.5 | -69.8 | 174.3 | -148.3 | 0 | 0 | 112.6 | L542 Y704 G706 P707 F708 L848 V849 R934 | L542-E851 HydrophobicContact CD1-CG 4.12Å; Y704-E851 VanDerWaalsContact CE1-O 3.31Å; Y704-E851 WeakPolarHBondContact CE1-O 3.36Å; G706-E851 VanDerWaalsContact CA-O 3.27Å; G706-E851 WeakPolarHBondContact CA-O 2.89Å; P707-E851 HydrophobicContact CG-CB 4.32Å; F708-E851 HydrophobicContact CE2-CB 4.45Å; F708-E851 HydrophobicContact CE2-CG 4.17Å; L848-E851 WeakPolarHBondContact O-CA 3.47Å; L848-E851 PolarHBondContact O-N 3.3Å; V849-E851 PolarHBondContact O-N 2.85Å; E851-R934 IonicContact OE1-CZ 2.86Å; E851-R934 IonicContact OE1-NE 2.75Å; E851-R934 PolarHBondContact OE1-NE 3.06Å; E851-R934 IonicContact OE1-NH2 3.4Å; E851-R934 PolarHBondContact OE1-NH2 3.17Å; E851-R934 IonicContact OE2-CZ 3.81Å; E851-R934 IonicContact OE2-NE 3.97Å; E851-R934 IonicContact OE2-NH2 2.75Å; E851-R934 PolarHBondContact OE2-NH2 2.95Å |
| 852 | A | 89.9 | Confident | 89.6 | Confident | 5 Ų | 5 | 24.5 Ų | 24.5 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -88.9 | -177 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y704 S847 F850 L856 | Y704-A852 WeakPolarHBondContact O-CB 3.44Å; S847-A852 VanDerWaalsContact O-CB 3.31Å; S847-A852 WeakPolarHBondContact O-CB 3.23Å; S847-A852 PolarHBondContact O-N 2.91Å; F850-A852 HydrophobicContact CB-CB 4.15Å; F850-A852 PolarHBondContact O-N 2.84Å; F850-A852 VanDerWaalsContact O-N 3.15Å; A852-L856 HydrophobicContact CB-CB 4.3Å; A852-L856 HydrophobicContact CB-CD2 3.6Å |
| 853 | C | 90.2 | Very high | 88.3 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | trans | -61.2 | 136.5 | 163.7 | -175.1 | 0 | 0 | 0 | 0 | 110 | C703 Y704 S847 H855 L856 C912 C916 | C703-C853 HydrophobicContact CB-CB 3.89Å; Y704-C853 PolarHBondContact O-N 3.44Å; S847-C853 WeakPolarHBondContact CB-O 3.4Å; C853-H855 PolarHBondContact O-N 3.09Å; C853-H855 PolarHBondContact SG-N 2.8Å; C853-H855 VanDerWaalsContact SG-N 3.44Å; C853-L856 VanDerWaalsContact O-CB 3.24Å; C853-L856 WeakPolarHBondContact O-CB 3.5Å; C853-L856 PolarHBondContact O-N 2.89Å; C853-C912 PolarHBondContact SG-SG 3.22Å; C853-C916 HydrophobicContact CB-CB 4.04Å | ||
| 854 | P | 89.4 | Confident | 86.6 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -54.9 | -35.4 | 172.6 | 23 | -34.7 | 0 | 0 | 0 | 112 | T573 R844 L848 L856 S914 | T573-P854 HydrophobicContact CG2-CB 4.15Å; T573-P854 HydrophobicContact CG2-CG 4Å; R844-P854 HydrophobicContact CG-CB 3.59Å; L848-P854 HydrophobicContact CD2-CB 4.36Å; P854-L856 VanDerWaalsContact C-N 3.26Å; P854-L856 PolarHBondContact O-N 2.85Å; P854-S914 WeakPolarHBondContact CG-OG 3.41Å |
| 855 | H | 89 | Confident | 84.8 | Confident | 29 Ų | 29 | 32.2 Ų | 32.2 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -86 | 24.1 | 177.8 | -56.2 | -46.5 | 0 | 0 | 0 | 113.9 | S604 C703 C853 S914 | S604-H855 PolarHBondContact O-NE2 2.75Å; C703-H855 PolarHBondContact SG-O 3.32Å; C853-H855 PolarHBondContact O-N 3.09Å; C853-H855 PolarHBondContact SG-N 2.8Å; C853-H855 VanDerWaalsContact SG-N 3.44Å; H855-S914 PolarHBondContact CD2-OG 3.41Å |
| 856 | L | 91.6 | Very high | 82.5 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -69.4 | -40.4 | 170.7 | 172.3 | 62 | 0 | 0 | 0 | 111.3 | I699 N700 C703 L705 L709 L714 A852 C853 P854 | I699-L856 HydrophobicContact CG2-CD1 4.28Å; N700-L856 PolarHBondContact N-O 3.48Å; C703-L856 HydrophobicContact CB-CD1 4.33Å; L705-L856 HydrophobicContact CD2-CD1 3.55Å; L709-L856 HydrophobicContact CD1-CD2 3.59Å; L714-L856 HydrophobicContact CD2-CD1 4.33Å; A852-L856 HydrophobicContact CB-CB 4.3Å; A852-L856 HydrophobicContact CB-CD2 3.6Å; C853-L856 VanDerWaalsContact O-CB 3.24Å; C853-L856 WeakPolarHBondContact O-CB 3.5Å; C853-L856 PolarHBondContact O-N 2.89Å; P854-L856 VanDerWaalsContact C-N 3.26Å; P854-L856 PolarHBondContact O-N 2.85Å |
| 857 | L | 93.3 | Very high | 80 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.5 | 173.6 | -57.8 | 176.5 | 0 | 0 | 0 | 107.2 | I697 Y698 I699 L733 L737 C843 I846 S847 | I697-L857 HydrophobicContact CG2-CB 4.42Å; Y698-L857 WeakPolarHBondContact O-CA 3.28Å; I699-L857 HydrophobicContact CD1-CD2 4.42Å; I699-L857 HydrophobicContact CG1-CD2 3.83Å; L733-L857 HydrophobicContact CD1-CD2 4.26Å; L733-L857 HydrophobicContact CD2-CD1 4.27Å; L737-L857 HydrophobicContact CD1-CD1 3.83Å; L737-L857 HydrophobicContact CD1-CD2 4.28Å; C843-L857 HydrophobicContact CB-CB 3.8Å; C843-L857 HydrophobicContact CB-CD1 4.46Å; I846-L857 HydrophobicContact CB-CD1 4.1Å; I846-L857 HydrophobicContact CG2-CD1 3.68Å; S847-L857 WeakPolarHBondContact OG-CG 3.48Å |
| 858 | S | 88.7 | Confident | 77.3 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 157.1 | -177.7 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | Y698 V860 | Y698-S858 PolarHBondContact N-O 2.9Å; Y698-S858 PolarHBondContact O-N 3.02Å; Y698-S858 VanDerWaalsContact O-N 3.12Å; S858-V860 VanDerWaalsContact C-N 3.34Å; S858-V860 PolarHBondContact OG-N 2.91Å; S858-V860 VanDerWaalsContact OG-N 3.15Å |
| 859 | L | 88.2 | Confident | 74.6 | Confident | 50 Ų | 50 | 54.1 Ų | 54.1 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -80.9 | -18.3 | 168.2 | -60.8 | -172.7 | 0 | 0 | 0 | 112.5 | P695 I697 Y698 V839 E840 | P695-L859 HydrophobicContact CB-CD2 4.2Å; P695-L859 HydrophobicContact CG-CD1 3.85Å; P695-L859 HydrophobicContact CG-CD2 3.7Å; P695-L859 HydrophobicContact CG-CG 4.41Å; I697-L859 HydrophobicContact CG1-CD2 3.99Å; Y698-L859 WeakPolarHBondContact CE2-O 3.47Å; V839-L859 HydrophobicContact CG1-CD2 3.8Å; E840-L859 HydrophobicContact CB-CD1 3.96Å; E840-L859 HydrophobicContact CB-CG 4.35Å |
| 860 | V | 82.4 | Confident | 71.8 | Confident | 102 Ų | 102 | 56.1 Ų | 56.1 | 62% | 0.618 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -85.8 | 130.2 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | S858 | S858-V860 VanDerWaalsContact C-N 3.34Å; S858-V860 PolarHBondContact OG-N 2.91Å; S858-V860 VanDerWaalsContact OG-N 3.15Å |
| 861 | P | 81.1 | Confident | 69 | Low | 71 Ų | 71 | 61.5 Ų | 61.5 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 136.4 | 177.7 | 25.9 | -33.9 | 0 | 0 | 0 | 111.4 | Y698 | Y698-P861 HydrophobicContact CD1-CB 4.18Å; Y698-P861 HydrophobicContact CD2-CB 4.15Å; Y698-P861 HydrophobicContact CE1-CB 4.02Å; Y698-P861 HydrophobicContact CE2-CB 4Å; Y698-P861 HydrophobicContact CE2-CG 4.5Å; Y698-P861 HydrophobicContact CG-CB 4.24Å |
| 862 | P | 75 | Confident | 66.3 | Low | 34 Ų | 34 | 65.4 Ų | 65.4 | 22% | 0.221 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 130.4 | 174.4 | 27.7 | -33.9 | 0 | 0 | 0 | 109.7 | N700 | N700-P862 HydrophobicContact CB-CB 4.2Š|
| 863 | P | 66 | Low | 63.1 | Low | 43 Ų | 43 | 70.2 Ų | 70.2 | 28% | 0.279 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 152.3 | -172.1 | 19.2 | -29.4 | 0 | 0 | 0 | 113.1 | R702 N910 | R702-P863 PolarHBondContact NH1-O 3.41Å; R702-P863 PolarHBondContact NH2-O 2.7Å; P863-N910 VanDerWaalsContact CB-OD1 3.23Å; P863-N910 WeakPolarHBondContact CB-OD1 3.49Å; P863-N910 HydrophobicContact CG-CB 4.13Å; P863-N910 WeakPolarHBondContact CG-OD1 3.44Å |
| 864 | S | 59 | Low | 60.4 | Low | 44 Ų | 44 | 75.7 Ų | 75.7 | 31% | 0.308 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 170.5 | -162.8 | 84.1 | 0 | 0 | 0 | 0 | 113.7 | R702 E866 E867 | R702-S864 PolarHBondContact NH2-O 3.25Å; S864-E866 PolarHBondContact OG-N 3.23Å; S864-E867 WeakPolarHBondContact CB-OE2 3.26Å; S864-E867 WeakPolarHBondContact OG-CG 3.35Å; S864-E867 PolarHBondContact OG-N 3.01Å; S864-E867 PolarHBondContact OG-OE2 3.3Å |
| 865 | L | 53.5 | Low | 57.5 | Low | 105 Ų | 105 | 80.5 Ų | 80.5 | 55% | 0.55 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -91.5 | -11.8 | 167.6 | -104 | 89.5 | 0 | 0 | 0 | 112.8 | S868 | L865-S868 PolarHBondContact O-OG 2.89Š|
| 866 | E | 45.4 | Very low | 54.7 | Low | 165 Ų | 165 | 85.4 Ų | 85.4 | 77% | 0.771 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -89.8 | -36.9 | -165.8 | -60.8 | -174.7 | 163.1 | 0 | 0 | 110.6 | S864 S868 N869 | S864-E866 PolarHBondContact OG-N 3.23Å; E866-S868 PolarHBondContact O-N 3.24Å; E866-N869 PolarHBondContact O-N 3.35Å |
| 867 | E | 40.8 | Very low | 51.6 | Low | 123 Ų | 123 | 93.2 Ų | 93.2 | 58% | 0.575 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -66.2 | -22.6 | 174.9 | -66 | 158.5 | 126.2 | 0 | 0 | 113.3 | S864 N869 S870 | S864-E867 WeakPolarHBondContact CB-OE2 3.26Å; S864-E867 WeakPolarHBondContact OG-CG 3.35Å; S864-E867 PolarHBondContact OG-N 3.01Å; S864-E867 PolarHBondContact OG-OE2 3.3Å; E867-N869 VanDerWaalsContact C-N 3.26Å; E867-N869 PolarHBondContact O-N 3.24Å; E867-S870 PolarHBondContact O-OG 3.11Å; E867-S870 VanDerWaalsContact O-OG 3.11Å |
| 868 | S | 38.6 | Very low | 48.6 | Very low | 60 Ų | 60 | 96.5 Ų | 96.5 | 42% | 0.42 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -75.1 | -9.4 | 175.1 | 43.1 | 0 | 0 | 0 | 0 | 114.6 | L865 E866 | L865-S868 PolarHBondContact O-OG 2.89Å; E866-S868 PolarHBondContact O-N 3.24Å |
| 869 | N | 34.5 | Very low | 45.5 | Very low | 144 Ų | 144 | 102.7 Ų | 102.7 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -102.3 | -3.9 | -178.4 | -71.7 | -21.1 | 0 | 0 | 0 | 114 | E866 E867 | E866-N869 PolarHBondContact O-N 3.35Å; E867-N869 VanDerWaalsContact C-N 3.26Å; E867-N869 PolarHBondContact O-N 3.24Å |
| 870 | S | 31.5 | Very low | 42.8 | Very low | 93 Ų | 93 | 108 Ų | 108 | 65% | 0.65 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -93.8 | -5.1 | 179 | 47 | 0 | 0 | 0 | 0 | 114.5 | E867 I872 | E867-S870 PolarHBondContact O-OG 3.11Å; E867-S870 VanDerWaalsContact O-OG 3.11Å; S870-I872 PolarHBondContact O-N 2.87Å |
| 871 | V | 32.7 | Very low | 40.1 | Very low | 116 Ų | 116 | 109.9 Ų | 109.9 | 70% | 0.703 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -96.2 | 87 | -178.2 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 872 | I | 30.6 | Very low | 37.5 | Very low | 148 Ų | 148 | 113.7 Ų | 113.7 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | trans | 46.2 | 97.8 | 154 | -49 | 178.9 | 0 | 0 | 0 | 116.6 | S870 P874 | S870-I872 PolarHBondContact O-N 2.87Å; I872-P874 WeakPolarHBondContact O-CD 3.41Å | ||
| 873 | S | 24.6 | Very low | 35.3 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 70% | 0.699 | S | S | * | * | trans | -65 | 125.7 | 157 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | S875 | S873-S875 VanDerWaalsContact C-N 3.31Å; S873-S875 PolarHBondContact O-N 3.21Å | ||
| 874 | P | 31.9 | Very low | 33.3 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | trans | -76.8 | 82.9 | 170.3 | 31.3 | -33.5 | 0 | 0 | 0 | 109.9 | I872 V876 | I872-P874 WeakPolarHBondContact O-CD 3.41Å; P874-V876 VanDerWaalsContact C-N 3.35Å; P874-V876 PolarHBondContact O-N 2.87Å | ||
| 875 | S | 29.2 | Very low | 31.7 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -72.3 | 88.1 | 173.7 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | S873 N877 | S873-S875 VanDerWaalsContact C-N 3.31Å; S873-S875 PolarHBondContact O-N 3.21Å; S875-N877 PolarHBondContact O-N 3.31Å | ||
| 876 | V | 29.9 | Very low | 30.4 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -65 | 98.7 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | P874 | P874-V876 VanDerWaalsContact C-N 3.35Å; P874-V876 PolarHBondContact O-N 2.87Å | ||
| 877 | N | 26.1 | Very low | 29.7 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | trans | -172.7 | 132.8 | 155.4 | -94.7 | -28.5 | 0 | 0 | 0 | 109.1 | S875 | S875-N877 PolarHBondContact O-N 3.31Š| ||
| 878 | G | 29.9 | Very low | 29 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | 119.1 | 80.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 879 | L | 25.5 | Very low | 28.4 | Very low | 154 Ų | 154 | 141 Ų | 141 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | -75 | 133.6 | 147.3 | -81.3 | 77.1 | 0 | 0 | 0 | 106.5 | ||||
| 880 | D | 30 | Very low | 28.3 | Very low | 163 Ų | 163 | 142 Ų | 142 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -146.3 | 124.3 | 136.4 | -101.3 | -35.5 | 0 | 0 | 0 | 107.9 | ||||
| 881 | N | 25.9 | Very low | 28 | Very low | 140 Ų | 140 | 141 Ų | 141 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -87.3 | 118 | 169.2 | -67 | -39.7 | 0 | 0 | 0 | 107.1 | ||||
| 882 | D | 26.6 | Very low | 27.8 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | 172.6 | 108.3 | 134.9 | -92.7 | -14.5 | 0 | 0 | 0 | 112.2 | ||||
| 883 | R | 29.9 | Very low | 27.6 | Very low | 247 Ų | 247 | 143.8 Ų | 143.8 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | 173.1 | 122.5 | 124.4 | -93.9 | 160.9 | -175.6 | -149.2 | -2.4 | 111.3 | |||||
| 884 | L | 22.6 | Very low | 27.7 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -120.5 | 150.3 | 169.7 | -81.9 | 168.2 | 0 | 0 | 0 | 109.8 | ||||
| 885 | F | 25.1 | Very low | 27.4 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | trans | 62.7 | 114.1 | 168.5 | -48.1 | -64 | 0 | 0 | 0 | 118.4 | ||||
| 886 | L | 27.3 | Very low | 27.3 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | -178.8 | 156.6 | 98 | -96.3 | 169.3 | 0 | 0 | 0 | 114.4 | |||||
| 887 | Q | 29.6 | Very low | 27.1 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | trans | 62.9 | 96.1 | 160.2 | -65.9 | -164.1 | -83 | 0 | 0 | 123.3 | ||||
| 888 | E | 26.6 | Very low | 27.2 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | 68.9 | 125.2 | 106.5 | -70.7 | 176.3 | 135.7 | 0 | 0 | 124.4 | |||||
| 889 | S | 26.5 | Very low | 27 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 89.8 | 147.1 | 136.2 | 78.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 890 | N | 31.8 | Very low | 27.1 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | trans | 76.4 | 131.8 | -172 | -52.3 | -52.1 | 0 | 0 | 0 | 115.7 | ||||
| 891 | G | 25.6 | Very low | 26.8 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | 172 | 13.2 | -1.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 892 | I | 29.2 | Very low | 27 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 82% | 0.821 | 74% | 0.741 | S | S | * | * | trans | -137.3 | 131.4 | 178.3 | -58.3 | 179.3 | 0 | 0 | 0 | 108.4 | P894 | I892-P894 WeakPolarHBondContact O-CD 3.39Š| ||
| 893 | I | 24.7 | Very low | 27.6 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | trans | -102.4 | 110.4 | 175.7 | -59.4 | 172.5 | 0 | 0 | 0 | 108.6 | ||||
| 894 | P | 27.2 | Very low | 28.1 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 71% | 0.708 | 69% | 0.689 | S | S | * | * | trans | -80.1 | 139.7 | 162.5 | 32.2 | -31.1 | 0 | 0 | 0 | 110.6 | I892 | I892-P894 WeakPolarHBondContact O-CD 3.39Š| ||
| 895 | D | 26.1 | Very low | 28.7 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 60% | 0.599 | 69% | 0.69 | S | S | * | * | trans | -57.5 | 126.7 | -177.4 | -171.9 | -37.8 | 0 | 0 | 0 | 112.8 | S897 | D895-S897 PolarHBondContact O-N 3.48Å; D895-S897 WeakPolarHBondContact OD1-CB 3.44Å; D895-S897 PolarHBondContact OD1-N 3.11Å; D895-S897 PolarHBondContact OD1-OG 3Å | ||
| 896 | P | 26.5 | Very low | 29.4 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -74.4 | -2.9 | -177.8 | 31.1 | -35.9 | 0 | 0 | 0 | 114.6 | V898 A899 | P896-V898 PolarHBondContact O-N 3.38Å; P896-V898 VanDerWaalsContact O-N 3.07Å; P896-A899 WeakPolarHBondContact O-CB 3.39Å; P896-A899 PolarHBondContact O-N 3.09Å |
| 897 | S | 27.3 | Very low | 29.9 | Very low | 96 Ų | 96 | 112.7 Ų | 112.7 | 67% | 0.671 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -65.9 | -6.3 | 179.1 | 59.4 | 0 | 0 | 0 | 0 | 115.1 | D895 | D895-S897 PolarHBondContact O-N 3.48Å; D895-S897 WeakPolarHBondContact OD1-CB 3.44Å; D895-S897 PolarHBondContact OD1-N 3.11Å; D895-S897 PolarHBondContact OD1-OG 3Å |
| 898 | V | 27.2 | Very low | 30.5 | Very low | 124 Ų | 124 | 110.9 Ų | 110.9 | 75% | 0.752 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -95.5 | -1.2 | 177.7 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | P896 Q900 | P896-V898 PolarHBondContact O-N 3.38Å; P896-V898 VanDerWaalsContact O-N 3.07Å; V898-Q900 PolarHBondContact O-N 2.89Å |
| 899 | A | 25 | Very low | 31.4 | Very low | 85 Ų | 85 | 110.4 Ų | 110.4 | 70% | 0.702 | 64% | 0.639 | S | S | * | * | trans | -72.8 | 29.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | P896 I901 | P896-A899 WeakPolarHBondContact O-CB 3.39Å; P896-A899 PolarHBondContact O-N 3.09Å; A899-I901 PolarHBondContact O-N 3.48Å | ||
| 900 | Q | 27.5 | Very low | 32.6 | Very low | 161 Ų | 161 | 107.5 Ų | 107.5 | 75% | 0.752 | 62% | 0.616 | S | S | * | * | trans | -90.3 | 83.3 | 157.3 | -73.8 | -164.1 | 0.5 | 0 | 0 | 109.8 | V898 P902 | V898-Q900 PolarHBondContact O-N 2.89Å; Q900-P902 WeakPolarHBondContact O-CD 3.47Å | ||
| 901 | I | 25.4 | Very low | 34.2 | Very low | 159 Ų | 159 | 102.2 Ų | 102.2 | 82% | 0.815 | 59% | 0.587 | S | S | * | * | trans | -67.3 | 105.6 | 154 | -59.1 | 176.2 | 0 | 0 | 0 | 105.6 | A899 | A899-I901 PolarHBondContact O-N 3.48Š| ||
| 902 | P | 29.3 | Very low | 36.7 | Very low | 42 Ų | 42 | 99.2 Ų | 99.2 | 27% | 0.273 | 56% | 0.555 | S | S | . | * | trans | -83.5 | 152.6 | -172.2 | 10 | 7.3 | 0 | 0 | 0 | 109.7 | Q900 E904 | Q900-P902 WeakPolarHBondContact O-CD 3.47Å; P902-E904 HydrophobicContact CB-CB 4.28Å; P902-E904 HydrophobicContact CB-CG 3.87Å; P902-E904 WeakPolarHBondContact CB-OE1 3.37Å; P902-E904 VanDerWaalsContact CG-CD 3.41Å; P902-E904 HydrophobicContact CG-CG 4.22Å; P902-E904 WeakPolarHBondContact CG-OE1 3.46Å; P902-E904 PolarHBondContact O-N 3.24Å | ||
| 903 | I | 39.7 | Very low | 38.9 | Very low | 71 Ų | 71 | 93 Ų | 93 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 47.3 | 171.3 | -46 | -178.7 | 0 | 0 | 0 | 109.4 | T402 N905 I906 | T402-I903 HydrophobicContact CG2-CD1 3.97Å; T402-I903 HydrophobicContact CG2-CG1 4.09Å; T402-I903 HydrophobicContact CG2-CG2 4.43Å; I903-N905 VanDerWaalsContact C-N 3.31Å; I903-I906 HydrophobicContact CG2-CD1 4.23Å |
| 904 | E | 39.2 | Very low | 41.4 | Very low | 59 Ų | 59 | 86.6 Ų | 86.6 | 28% | 0.276 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -18.2 | 173.4 | -84.5 | 156.6 | -145.2 | 0 | 0 | 111.4 | K598 Y602 P902 I906 S907 | K598-E904 WeakPolarHBondContact CE-OE2 3.39Å; K598-E904 IonicContact NZ-OE1 3.17Å; K598-E904 PolarHBondContact NZ-OE1 3.17Å; K598-E904 VanDerWaalsContact NZ-OE1 3.17Å; K598-E904 IonicContact NZ-OE2 2.82Å; K598-E904 PolarHBondContact NZ-OE2 2.83Å; Y602-E904 PolarHBondContact OH-OE1 2.76Å; P902-E904 HydrophobicContact CB-CB 4.28Å; P902-E904 HydrophobicContact CB-CG 3.87Å; P902-E904 WeakPolarHBondContact CB-OE1 3.37Å; P902-E904 VanDerWaalsContact CG-CD 3.41Å; P902-E904 HydrophobicContact CG-CG 4.22Å; P902-E904 WeakPolarHBondContact CG-OE1 3.46Å; P902-E904 PolarHBondContact O-N 3.24Å; E904-I906 PolarHBondContact O-N 3.37Å; E904-S907 PolarHBondContact O-N 2.84Å; E904-S907 PolarHBondContact O-OG 2.71Å |
| 905 | N | 35.4 | Very low | 43.5 | Very low | 148 Ų | 148 | 82.3 Ų | 82.3 | 79% | 0.791 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 8.1 | 177.5 | -78.6 | -8.6 | 0 | 0 | 0 | 115.8 | I903 | I903-N905 VanDerWaalsContact C-N 3.31Š|
| 906 | I | 39.7 | Very low | 46 | Very low | 103 Ų | 103 | 77.3 Ų | 77.3 | 53% | 0.528 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -11.6 | 165.7 | -66.4 | 176.9 | 0 | 0 | 0 | 111.3 | P396 I903 E904 | P396-I906 HydrophobicContact CG-CD1 4.21Å; I903-I906 HydrophobicContact CG2-CD1 4.23Å; E904-I906 PolarHBondContact O-N 3.37Å |
| 907 | S | 38.2 | Very low | 48 | Very low | 21 Ų | 21 | 75.7 Ų | 75.7 | 15% | 0.147 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -127.1 | 103.7 | 161.4 | 55.4 | 0 | 0 | 0 | 0 | 110 | R605 E904 | R605-S907 PolarHBondContact NH2-OG 3.3Å; R605-S907 VanDerWaalsContact NH2-OG 3.12Å; E904-S907 PolarHBondContact O-N 2.84Å; E904-S907 PolarHBondContact O-OG 2.71Å |
| 908 | L | 42 | Very low | 49.5 | Very low | 112 Ų | 112 | 74.2 Ų | 74.2 | 59% | 0.586 | 41% | 0.41 | S | S | * | . | trans | -57.4 | 155 | 156.5 | -80.5 | 147.5 | 0 | 0 | 0 | 108.6 | N910 D911 | L908-N910 HydrophobicContact CB-CB 4.16Å; L908-N910 PolarHBondContact O-N 2.97Å; L908-D911 PolarHBondContact O-N 3.24Å | ||
| 909 | I | 46.7 | Very low | 51.1 | Low | 146 Ų | 146 | 71.3 Ų | 71.3 | 75% | 0.749 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -16.7 | 167.8 | -66 | 165.8 | 0 | 0 | 0 | 111.8 | ||
| 910 | N | 51.6 | Low | 52.3 | Low | 43 Ų | 43 | 73.8 Ų | 73.8 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -7.9 | -179.6 | -64.1 | -15.1 | 0 | 0 | 0 | 116.2 | P863 L908 | P863-N910 VanDerWaalsContact CB-OD1 3.23Å; P863-N910 WeakPolarHBondContact CB-OD1 3.49Å; P863-N910 HydrophobicContact CG-CB 4.13Å; P863-N910 WeakPolarHBondContact CG-OD1 3.44Å; L908-N910 HydrophobicContact CB-CB 4.16Å; L908-N910 PolarHBondContact O-N 2.97Å |
| 911 | D | 64.1 | Low | 53.2 | Low | 54 Ų | 54 | 75.4 Ų | 75.4 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -97.9 | 152 | -178.5 | -82.7 | -53.5 | 0 | 0 | 0 | 114.2 | L908 N917 | L908-D911 PolarHBondContact O-N 3.24Å; D911-N917 PolarHBondContact OD1-ND2 2.93Å |
| 912 | C | 79.2 | Confident | 53.8 | Low | 10 Ų | 10 | 71 Ų | 71 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | trans | -68.2 | 130.7 | -177.8 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | C853 S914 F915 | C853-C912 PolarHBondContact SG-SG 3.22Å; C912-S914 PolarHBondContact O-N 3.14Å; C912-F915 PolarHBondContact O-N 3.33Å | ||
| 913 | P | 75.4 | Confident | 53.9 | Low | 29 Ų | 29 | 79.9 Ų | 79.9 | 19% | 0.188 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -19.9 | -179.7 | -26.2 | 33.9 | 0 | 0 | 0 | 115.7 | S604 R605 F915 | S604-P913 WeakPolarHBondContact O-CB 3.38Å; R605-P913 HydrophobicContact CG-CB 4.37Å; P913-F915 VanDerWaalsContact C-N 3.33Å |
| 914 | S | 76.4 | Confident | 53.4 | Low | 26 Ų | 26 | 84.5 Ų | 84.5 | 18% | 0.182 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 8.6 | 174.5 | -47.2 | 0 | 0 | 0 | 0 | 114.2 | P854 H855 C912 C916 | P854-S914 WeakPolarHBondContact CG-OG 3.41Å; H855-S914 PolarHBondContact CD2-OG 3.41Å; C912-S914 PolarHBondContact O-N 3.14Å; S914-C916 PolarHBondContact O-N 3.15Å |
| 915 | F | 71.9 | Confident | 53.1 | Low | 19 Ų | 19 | 90.2 Ų | 90.2 | 8% | 0.083 | 44% | 0.436 | C | S | . | . | trans | 48.6 | 30.2 | -176.2 | -70.8 | -78.8 | 0 | 0 | 0 | 114.5 | C393 C912 P913 N917 V918 | C393-F915 HydrophobicContact CB-CB 4.44Å; C393-F915 HydrophobicContact CB-CD1 4.35Å; C393-F915 HydrophobicContact CB-CD2 4.3Å; C393-F915 HydrophobicContact CB-CG 4.1Å; C912-F915 PolarHBondContact O-N 3.33Å; P913-F915 VanDerWaalsContact C-N 3.33Å; F915-N917 WeakPolarHBondContact CA-OD1 3.37Å; F915-N917 PolarHBondContact O-N 3.15Å; F915-N917 VanDerWaalsContact O-N 3.11Å; F915-N917 PolarHBondContact O-OD1 3.34Å; F915-V918 HydrophobicContact CB-CG2 4.25Å; F915-V918 HydrophobicContact CD1-CG2 4.27Å; F915-V918 WeakPolarHBondContact O-CB 3.29Å; F915-V918 PolarHBondContact O-N 3.49Å | ||
| 916 | C | 78.8 | Confident | 52.9 | Low | 7 Ų | 7 | 88 Ų | 88 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -4.3 | -173 | 74.6 | 0 | 0 | 0 | 0 | 113.9 | C703 Y704 C853 S914 | C703-C916 VanDerWaalsContact CA-SG 3.57Å; Y704-C916 PolarHBondContact N-SG 3.29Å; C853-C916 HydrophobicContact CB-CB 4.04Å; S914-C916 PolarHBondContact O-N 3.15Å |
| 917 | N | 67.1 | Low | 52.5 | Low | 75 Ų | 75 | 92.3 Ų | 92.3 | 40% | 0.401 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -36 | 165 | 58 | -18.9 | 0 | 0 | 0 | 112.3 | D911 F915 R919 | D911-N917 PolarHBondContact OD1-ND2 2.93Å; F915-N917 WeakPolarHBondContact CA-OD1 3.37Å; F915-N917 PolarHBondContact O-N 3.15Å; F915-N917 VanDerWaalsContact O-N 3.11Å; F915-N917 PolarHBondContact O-OD1 3.34Å; N917-R919 VanDerWaalsContact C-N 3.28Å; N917-R919 PolarHBondContact O-N 3.06Å |
| 918 | V | 59.9 | Low | 52 | Low | 64 Ų | 64 | 97.2 Ų | 97.2 | 39% | 0.388 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21.7 | 178.1 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | F915 L920 | F915-V918 HydrophobicContact CB-CG2 4.25Å; F915-V918 HydrophobicContact CD1-CG2 4.27Å; F915-V918 WeakPolarHBondContact O-CB 3.29Å; F915-V918 PolarHBondContact O-N 3.49Å; V918-L920 PolarHBondContact O-N 3.13Å |
| 919 | R | 59.8 | Low | 51.4 | Low | 64 Ų | 64 | 95.4 Ų | 95.4 | 24% | 0.242 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -58.4 | 105.1 | 170.4 | -77.1 | -174.1 | 171 | 179.2 | -0.6 | 110.4 | N917 R921 | N917-R919 VanDerWaalsContact C-N 3.28Å; N917-R919 PolarHBondContact O-N 3.06Å; R919-R921 PolarHBondContact O-N 2.94Å |
| 920 | L | 50.1 | Low | 50.6 | Low | 136 Ų | 136 | 90.9 Ų | 90.9 | 71% | 0.712 | 44% | 0.442 | S | S | * | . | trans | -47.9 | 116.2 | 162.7 | -69.5 | 173.1 | 0 | 0 | 0 | 108.5 | V918 S922 | V918-L920 PolarHBondContact O-N 3.13Å; L920-S922 PolarHBondContact O-N 2.94Å | ||
| 921 | R | 47.1 | Very low | 49.9 | Very low | 195 Ų | 195 | 96.3 Ų | 96.3 | 74% | 0.736 | 46% | 0.459 | S | S | * | . | trans | -58.1 | 109.1 | 170.9 | -67.6 | -175.8 | -173.4 | 163.4 | 5.8 | 107 | R919 R923 | R919-R921 PolarHBondContact O-N 2.94Å; R921-R923 VanDerWaalsContact C-N 3.29Å; R921-R923 PolarHBondContact O-N 3.13Å | ||
| 922 | S | 38.1 | Very low | 48.2 | Very low | 68 Ų | 68 | 100.9 Ų | 100.9 | 48% | 0.476 | 48% | 0.476 | S | S | . | . | trans | -63.1 | 79.9 | -163.2 | 46.1 | 0 | 0 | 0 | 0 | 113.2 | L920 Y924 | L920-S922 PolarHBondContact O-N 2.94Å; S922-Y924 PolarHBondContact O-N 2.83Å | ||
| 923 | R | 31 | Very low | 46 | Very low | 227 Ų | 227 | 108.1 Ų | 108.1 | 86% | 0.857 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -64.7 | 106.4 | 168.4 | -68.5 | -169.5 | -176.7 | -162.1 | 4.6 | 108.1 | R921 | R921-R923 VanDerWaalsContact C-N 3.29Å; R921-R923 PolarHBondContact O-N 3.13Å |
| 924 | Y | 30.2 | Very low | 43.9 | Very low | 169 Ų | 169 | 110.7 Ų | 110.7 | 66% | 0.663 | 51% | 0.508 | S | S | * | . | S | Bend | trans | 74.2 | 21.3 | 161.9 | -77.2 | -84.6 | 0 | 0 | 0 | 120 | S922 R927 | S922-Y924 PolarHBondContact O-N 2.83Å; Y924-R927 HydrophobicContact CD1-CG 4.33Å |
| 925 | F | 31.5 | Very low | 41.7 | Very low | 179 Ų | 179 | 114.8 Ų | 114.8 | 79% | 0.785 | 53% | 0.527 | S | S | * | . | trans | -97.2 | -9.1 | 162.4 | -92.2 | -81.1 | 0 | 0 | 0 | 115.8 | R927 | F925-R927 PolarHBondContact O-N 3.41Š| ||
| 926 | D | 32.2 | Very low | 39.5 | Very low | 100 Ų | 100 | 117.2 Ų | 117.2 | 54% | 0.535 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 36.2 | 163.8 | -67.7 | -54.3 | 0 | 0 | 0 | 112.9 | R933 | D926-R933 IonicContact OD1-NH1 3.47Å; D926-R933 PolarHBondContact OD1-NH1 3.38Å |
| 927 | R | 30.2 | Very low | 37.1 | Very low | 195 Ų | 195 | 121 Ų | 121 | 74% | 0.736 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -0.7 | 169.9 | -92.9 | -169.4 | 170.3 | -177.3 | -1.5 | 113.9 | Y924 F925 | Y924-R927 HydrophobicContact CD1-CG 4.33Å; F925-R927 PolarHBondContact O-N 3.41Å |
| 928 | L | 29.8 | Very low | 35.2 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 64% | 0.644 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -77 | 123.6 | 148.9 | -69 | 176 | 0 | 0 | 0 | 107.7 | G930 | L928-G930 PolarHBondContact O-N 3.19Å; L928-G930 VanDerWaalsContact O-N 3.16Å |
| 929 | P | 28.8 | Very low | 33.6 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 48% | 0.481 | 59% | 0.589 | S | S | . | * | trans | -72.2 | 115.8 | -161.8 | 28.2 | -36 | 0 | 0 | 0 | 112 | W931 K932 | P929-W931 PolarHBondContact O-N 2.86Å; P929-K932 PolarHBondContact O-N 3.08Å; P929-K932 VanDerWaalsContact O-N 3.1Å | ||
| 930 | G | 28.5 | Very low | 31.9 | Very low | 52 Ų | 52 | 125.5 Ų | 125.5 | 54% | 0.536 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -62 | 3.8 | -170 | 0 | 0 | 0 | 0 | 0 | 117.8 | L928 R933 | L928-G930 PolarHBondContact O-N 3.19Å; L928-G930 VanDerWaalsContact O-N 3.16Å; G930-R933 PolarHBondContact O-N 2.87Å |
| 931 | W | 37.1 | Very low | 30.7 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 60% | 0.595 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -64.3 | -33.5 | 164.2 | 63.7 | -94.8 | 0 | 0 | 0 | 111.1 | P929 R933 L935 | P929-W931 PolarHBondContact O-N 2.86Å; W931-R933 VanDerWaalsContact C-N 3.28Å; W931-R933 PolarHBondContact O-N 2.9Å; W931-L935 HydrophobicContact CB-CD1 4.37Å; W931-L935 HydrophobicContact CE3-CD1 4.43Å; W931-L935 PolarHBondContact O-N 2.8Å |
| 932 | K | 29.1 | Very low | 29.8 | Very low | 149 Ų | 149 | 123.1 Ų | 123.1 | 65% | 0.648 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -78.2 | 7.2 | 176.9 | -102.7 | -176.6 | 177.9 | -177.4 | 0 | 116.4 | P929 | P929-K932 PolarHBondContact O-N 3.08Å; P929-K932 VanDerWaalsContact O-N 3.1Å |
| 933 | R | 33.1 | Very low | 29.2 | Very low | 162 Ų | 162 | 122.9 Ų | 122.9 | 61% | 0.611 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -120.4 | -11.1 | 173 | -71 | -171.2 | -173.4 | 150 | -1.5 | 115.1 | D926 G930 W931 | D926-R933 IonicContact OD1-NH1 3.47Å; D926-R933 PolarHBondContact OD1-NH1 3.38Å; G930-R933 PolarHBondContact O-N 2.87Å; W931-R933 VanDerWaalsContact C-N 3.28Å; W931-R933 PolarHBondContact O-N 2.9Å |
| 934 | R | 30.3 | Very low | 29.1 | Very low | 84 Ų | 84 | 113 Ų | 113 | 32% | 0.317 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -138 | 30.8 | 179.9 | -59.4 | -168 | -168.9 | 120.5 | 21.2 | 114.5 | F708 R746 E851 | F708-R934 VanDerWaalsContact CZ-CZ 3.47Å; F708-R934 VanDerWaalsContact CZ-NH1 3.29Å; R746-R934 PolarHBondContact NH2-O 2.88Å; E851-R934 IonicContact OE1-CZ 2.86Å; E851-R934 IonicContact OE1-NE 2.75Å; E851-R934 PolarHBondContact OE1-NE 3.06Å; E851-R934 IonicContact OE1-NH2 3.4Å; E851-R934 PolarHBondContact OE1-NH2 3.17Å; E851-R934 IonicContact OE2-CZ 3.81Å; E851-R934 IonicContact OE2-NE 3.97Å; E851-R934 IonicContact OE2-NH2 2.75Å; E851-R934 PolarHBondContact OE2-NH2 2.95Å |
| 935 | L | 30.3 | Very low | 29 | Very low | 112 Ų | 112 | 111.1 Ų | 111.1 | 59% | 0.586 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -105.2 | -22.5 | 158.9 | -90.1 | 159.5 | 0 | 0 | 0 | 111.7 | W931 A937 | W931-L935 HydrophobicContact CB-CD1 4.37Å; W931-L935 HydrophobicContact CE3-CD1 4.43Å; W931-L935 PolarHBondContact O-N 2.8Å; L935-A937 VanDerWaalsContact C-N 3.3Å; L935-A937 PolarHBondContact O-N 2.8Å |
| 936 | N | 27.2 | Very low | 28.7 | Very low | 70 Ų | 70 | 111.1 Ų | 111.1 | 37% | 0.374 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 44.8 | 175.1 | -71.6 | 53.2 | 0 | 0 | 0 | 111.6 | N536 R539 | N536-N936 VanDerWaalsContact ND2-C 3.33Å; N536-N936 WeakPolarHBondContact ND2-CB 3.43Å; N536-N936 PolarHBondContact ND2-O 2.92Å; N536-N936 PolarHBondContact OD1-O 2.91Å; R539-N936 PolarHBondContact NH2-O 3.33Å |
| 937 | A | 27.9 | Very low | 28.3 | Very low | 86 Ų | 86 | 110 Ų | 110 | 71% | 0.711 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | -0.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L935 | L935-A937 VanDerWaalsContact C-N 3.3Å; L935-A937 PolarHBondContact O-N 2.8Å |
| 938 | L | 26.1 | Very low | 28.1 | Very low | 109 Ų | 109 | 107.8 Ų | 107.8 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -122 | 132 | 155.4 | -78.1 | 164.7 | 0 | 0 | 0 | 104.6 | ||
| 939 | R | 26.2 | Very low | 28.1 | Very low | 148 Ų | 148 | 107.4 Ų | 107.4 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | trans | 70.4 | 128.1 | -163.6 | -54 | 177.9 | 171.2 | 179.8 | -2.4 | 114.8 | N536 L970 | N536-R939 PolarHBondContact ND2-O 2.99Å; N536-R939 VanDerWaalsContact ND2-O 3.08Å; R939-L970 HydrophobicContact CG-CB 4.48Å; R939-L970 HydrophobicContact CG-CG 4.4Å; R939-L970 VanDerWaalsContact NE-CB 3.27Å; R939-L970 PolarHBondContact NH2-O 3.39Å | ||
| 940 | A | 24.3 | Very low | 28 | Very low | 41 Ų | 41 | 111 Ų | 111 | 34% | 0.339 | 57% | 0.566 | S | S | . | * | trans | -135.7 | 40.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | N536 | N536-A940 HydrophobicContact CB-CB 3.61Š| ||
| 941 | F | 26.2 | Very low | 28.1 | Very low | 174 Ų | 174 | 116.4 Ų | 116.4 | 76% | 0.763 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -138.7 | 120.5 | 171.2 | -78.1 | -71.2 | 0 | 0 | 0 | 109.8 | ||
| 942 | T | 27.2 | Very low | 27.8 | Very low | 106 Ų | 106 | 114.3 Ų | 114.3 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | trans | 66.5 | 87.1 | 152.9 | 64.7 | 0 | 0 | 0 | 0 | 120.2 | N533 | N533-T942 HydrophobicContact CB-CG2 4.28Å; N533-T942 WeakPolarHBondContact O-CA 3.46Å; N533-T942 PolarHBondContact O-N 3.49Å; N533-T942 WeakPolarHBondContact OD1-CA 3.33Å; N533-T942 WeakPolarHBondContact OD1-CB 3.36Å | ||
| 943 | D | 26.5 | Very low | 27.8 | Very low | 64 Ų | 64 | 117 Ų | 117 | 34% | 0.342 | 58% | 0.583 | S | S | . | * | trans | -112.7 | 145 | 151.9 | 57 | 142.4 | 0 | 0 | 0 | 116.1 | R532 N533 | R532-D943 CarbonylContact C-O 3.28Å; R532-D943 VanDerWaalsContact C-O 3.25Å; R532-D943 WeakPolarHBondContact CA-O 3.43Å; R532-D943 VanDerWaalsContact CB-OD1 3.22Å; R532-D943 WeakPolarHBondContact CB-OD1 3.46Å; R532-D943 PolarHBondContact N-O 2.71Å; R532-D943 VanDerWaalsContact N-O 3.12Å; R532-D943 VanDerWaalsContact O-OD2 3.11Å; N533-D943 WeakPolarHBondContact CA-O 3.29Å; N533-D943 PolarHBondContact N-O 2.77Å; N533-D943 PolarHBondContact ND2-O 2.9Å; N533-D943 WeakPolarHBondContact OD1-CA 3.5Å; N533-D943 PolarHBondContact OD1-N 3.39Å; N533-D943 PolarHBondContact OD1-O 3.03Å; N533-D943 VanDerWaalsContact OD1-O 3.06Å | ||
| 944 | S | 28 | Very low | 27.7 | Very low | 18 Ų | 18 | 115.3 Ų | 115.3 | 13% | 0.126 | 59% | 0.585 | C | S | . | * | trans | 83.3 | 138.5 | 155.1 | 178 | 0 | 0 | 0 | 0 | 120 | S530 N533 | S530-S944 PolarHBondContact O-OG 3.26Å; N533-S944 PolarHBondContact ND2-O 3.03Å | ||
| 945 | F | 28 | Very low | 27.8 | Very low | 130 Ų | 130 | 119 Ų | 119 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | cis | -176.2 | 147.5 | -18.7 | -96.7 | -40 | 0 | 0 | 0 | 114.5 | K529 | K529-F945 WeakPolarHBondContact CG-O 3.22Š| ||
| 946 | Y | 25.7 | Very low | 27.6 | Very low | 179 Ų | 179 | 117.2 Ų | 117.2 | 70% | 0.702 | 61% | 0.607 | S | S | * | * | trans | 64.1 | 154.2 | 151.8 | -69.1 | -57.7 | 0 | 0 | 0 | 118.2 | ||||
| 947 | T | 24.8 | Very low | 27.7 | Very low | 77 Ų | 77 | 119 Ų | 119 | 47% | 0.472 | 62% | 0.616 | S | S | . | * | cis | -152.2 | 162.9 | 32.4 | -17.4 | 0 | 0 | 0 | 0 | 113 | K529 | K529-T947 VanDerWaalsContact NZ-CG2 3.31Å; K529-T947 PolarHBondContact NZ-OG1 2.75Å | ||
| 948 | D | 24.7 | Very low | 27.6 | Very low | 148 Ų | 148 | 116.6 Ų | 116.6 | 79% | 0.791 | 60% | 0.596 | S | S | * | * | trans | -66.9 | 142.9 | 157.1 | -58.6 | -66.5 | 0 | 0 | 0 | 113.2 | ||||
| 949 | S | 29.8 | Very low | 27.8 | Very low | 115 Ų | 115 | 114.8 Ų | 114.8 | 80% | 0.804 | 59% | 0.591 | S | S | * | * | -162.9 | 123.7 | 123.7 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 950 | D | 27.9 | Very low | 27.9 | Very low | 151 Ų | 151 | 115 Ų | 115 | 81% | 0.807 | 60% | 0.603 | S | S | * | * | trans | -59.9 | 148.2 | 178.1 | -65.1 | -79.7 | 0 | 0 | 0 | 114.1 | ||||
| 951 | Q | 30.7 | Very low | 27.9 | Very low | 164 Ų | 164 | 117 Ų | 117 | 77% | 0.766 | 62% | 0.615 | S | S | * | * | 179.2 | 125.2 | 104.9 | -100 | 176.6 | 75.6 | 0 | 0 | 115.8 | |||||
| 952 | N | 30.4 | Very low | 27.9 | Very low | 114 Ų | 114 | 117.2 Ų | 117.2 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | trans | 64.8 | 150.4 | 150.6 | -59.5 | -58.3 | 0 | 0 | 0 | 118.2 | ||||
| 953 | R | 28.6 | Very low | 27.9 | Very low | 204 Ų | 204 | 118.8 Ų | 118.8 | 77% | 0.77 | 63% | 0.627 | S | S | * | * | cis | -166.8 | 138.8 | -12.7 | -110.7 | 170.8 | -173.3 | -148.9 | -1.7 | 110.8 | ||||
| 954 | I | 31 | Very low | 27.8 | Very low | 128 Ų | 128 | 121.6 Ų | 121.6 | 66% | 0.656 | 65% | 0.646 | S | S | * | * | trans | 78.4 | 111.7 | 134.7 | -68.9 | 171.3 | 0 | 0 | 0 | 121.1 | ||||
| 955 | I | 32.3 | Very low | 27.6 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 82% | 0.821 | 68% | 0.684 | S | S | * | * | trans | 84.7 | 143.3 | 140.9 | -66.3 | 175.3 | 0 | 0 | 0 | 121 | ||||
| 956 | S | 26.9 | Very low | 27.7 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 53% | 0.531 | 69% | 0.687 | S | S | . | * | trans | -78.6 | -179 | -156.4 | 60 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 957 | D | 29.8 | Very low | 27.6 | Very low | 108 Ų | 108 | 129 Ų | 129 | 58% | 0.578 | 70% | 0.695 | S | S | * | * | cis | -152.9 | -166 | 30.2 | -114 | -54.6 | 0 | 0 | 0 | 116.1 | ||||
| 958 | A | 24.2 | Very low | 27.7 | Very low | 35 Ų | 35 | 129.6 Ų | 129.6 | 29% | 0.289 | 70% | 0.702 | S | S | . | * | trans | -91.3 | -172.4 | -161.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | N1236 | A958-N1236 HydrophobicContact CB-CB 3.82Å; A958-N1236 VanDerWaalsContact CB-ND2 3.28Å; A958-N1236 WeakPolarHBondContact CB-ND2 3.34Å | ||
| 959 | P | 31.7 | Very low | 28.1 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 46% | 0.455 | 68% | 0.682 | S | S | . | * | cis | -142 | 174.2 | -4.9 | 38.9 | -18.5 | 0 | 0 | 0 | 119.3 | L1239 | P959-L1239 VanDerWaalsContact CD-CD1 3.4Š| ||
| 960 | N | 28.1 | Very low | 28.2 | Very low | 154 Ų | 154 | 123 Ų | 123 | 82% | 0.824 | 66% | 0.664 | S | S | * | * | trans | 72.9 | 145.5 | 153.6 | -70.3 | -20.5 | 0 | 0 | 0 | 120.7 | ||||
| 961 | S | 24.5 | Very low | 28.6 | Very low | 83 Ų | 83 | 119.3 Ų | 119.3 | 58% | 0.58 | 64% | 0.642 | S | S | * | * | cis | -168.3 | 169.2 | -4.9 | 47.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 962 | H | 25 | Very low | 28.9 | Very low | 178 Ų | 178 | 113.9 Ų | 113.9 | 82% | 0.824 | 62% | 0.618 | S | S | * | * | trans | 74.5 | 155 | 174.2 | -50.4 | -73.2 | 0 | 0 | 0 | 116.6 | ||||
| 963 | V | 26.8 | Very low | 29.1 | Very low | 139 Ų | 139 | 112.6 Ų | 112.6 | 84% | 0.842 | 61% | 0.611 | S | S | * | * | cis | -136 | -154.5 | 27.8 | 177.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 964 | T | 24.8 | Very low | 29.4 | Very low | 122 Ų | 122 | 106.2 Ų | 106.2 | 75% | 0.748 | 60% | 0.598 | S | S | * | * | trans | -122.8 | 147.4 | -149.3 | 55.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 965 | R | 23.1 | Very low | 29.6 | Very low | 242 Ų | 242 | 105.1 Ų | 105.1 | 91% | 0.913 | 59% | 0.593 | S | S | * | * | trans | 36.5 | 164.6 | 137.8 | -106.7 | -172.8 | 173.8 | -175.6 | -0.5 | 122.5 | ||||
| 966 | P | 30.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 107.6 Ų | 107.6 | 65% | 0.649 | 59% | 0.592 | S | S | * | * | cis | -147.3 | -177.5 | 3.3 | 40.7 | -17.7 | 0 | 0 | 0 | 120.8 | ||||
| 967 | T | 25.3 | Very low | 29.8 | Very low | 142 Ų | 142 | 109 Ų | 109 | 87% | 0.871 | 60% | 0.597 | S | S | * | * | trans | 75.1 | 148.5 | 150.2 | 39.7 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 968 | S | 26.8 | Very low | 29.8 | Very low | 88 Ų | 88 | 108 Ų | 108 | 62% | 0.615 | 59% | 0.592 | S | S | * | * | trans | -172.5 | 172.8 | 169.6 | 72 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 969 | A | 31.7 | Very low | 30 | Very low | 44 Ų | 44 | 116.6 Ų | 116.6 | 36% | 0.364 | 62% | 0.617 | S | S | . | * | cis | -156.5 | -163.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | L1207 | A969-L1207 HydrophobicContact CB-CD1 3.64Å; A969-L1207 VanDerWaalsContact O-CD1 3.24Å; A969-L1207 WeakPolarHBondContact O-CD1 3.46Å; A969-L1207 WeakPolarHBondContact O-CD2 3.34Å | ||
| 970 | L | 32.7 | Very low | 29.9 | Very low | 81 Ų | 81 | 119.5 Ų | 119.5 | 42% | 0.424 | 63% | 0.628 | S | S | . | * | cis | 68.3 | 120 | 2.1 | -95.6 | 57.3 | 0 | 0 | 0 | 125.4 | R939 | R939-L970 HydrophobicContact CG-CB 4.48Å; R939-L970 HydrophobicContact CG-CG 4.4Å; R939-L970 VanDerWaalsContact NE-CB 3.27Å; R939-L970 PolarHBondContact NH2-O 3.39Å | ||
| 971 | Q | 37.1 | Very low | 30 | Very low | 73 Ų | 73 | 120.1 Ų | 120.1 | 34% | 0.341 | 63% | 0.626 | S | S | . | * | trans | 176.2 | 170.3 | 167.7 | -106.4 | -74.1 | -58.8 | 0 | 0 | 109.6 | E1189 L1207 V1208 | Q971-E1189 PolarHBondContact NE2-OE2 3.35Å; Q971-L1207 HydrophobicContact CB-CB 4.13Å; Q971-V1208 HydrophobicContact CB-CB 4.41Å; Q971-V1208 HydrophobicContact CB-CG2 3.58Å; Q971-V1208 HydrophobicContact CG-CG2 3.69Å | ||
| 972 | N | 36 | Very low | 30.2 | Very low | 50 Ų | 50 | 120.8 Ų | 120.8 | 27% | 0.267 | 63% | 0.631 | S | S | . | * | cis | -158.6 | -137.6 | 10.2 | -167.1 | 4.6 | 0 | 0 | 0 | 110.9 | W1185 V1208 | N972-W1185 VanDerWaalsContact CG-NE1 3.26Å; N972-W1185 VanDerWaalsContact ND2-CZ2 3.33Å; N972-W1185 WeakPolarHBondContact ND2-CZ2 2.91Å; N972-W1185 PolarHBondContact ND2-NE1 3.39Å; N972-W1185 PolarHBondContact OD1-NE1 3.16Å; N972-V1208 WeakPolarHBondContact CB-O 3.13Å; N972-V1208 PolarHBondContact ND2-O 3.43Å | ||
| 973 | N | 34.9 | Very low | 30.3 | Very low | 88 Ų | 88 | 121.2 Ų | 121.2 | 47% | 0.471 | 63% | 0.633 | S | S | . | * | cis | -160.3 | 117 | 9.4 | -174.3 | -71 | 0 | 0 | 0 | 115.9 | V1208 | N973-V1208 PolarHBondContact ND2-O 3.18Š| ||
| 974 | S | 35.6 | Very low | 30.3 | Very low | 70 Ų | 70 | 120.8 Ų | 120.8 | 49% | 0.49 | 64% | 0.636 | S | S | . | * | trans | 44.5 | 156.2 | 141 | 95.6 | 0 | 0 | 0 | 0 | 126 | ||||
| 975 | N | 35 | Very low | 30.4 | Very low | 104 Ų | 104 | 122 Ų | 122 | 56% | 0.556 | 64% | 0.637 | S | S | * | * | cis | -160.2 | 168.1 | 14.4 | -144.7 | -22.5 | 0 | 0 | 0 | 118.2 | ||||
| 976 | W | 30.5 | Very low | 30.8 | Very low | 213 Ų | 213 | 118.3 Ų | 118.3 | 81% | 0.807 | 63% | 0.628 | S | S | * | * | trans | 83.5 | 151 | 156.4 | -97.5 | 29.2 | 0 | 0 | 0 | 120.9 | ||||
| 977 | V | 31.4 | Very low | 30.7 | Very low | 104 Ų | 104 | 121.4 Ų | 121.4 | 63% | 0.63 | 63% | 0.634 | S | S | * | * | cis | -156.5 | -165.3 | 4.9 | 75.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 978 | N | 30.4 | Very low | 30.8 | Very low | 89 Ų | 89 | 119.3 Ų | 119.3 | 48% | 0.476 | 63% | 0.625 | S | S | . | * | trans | -105.7 | -173.1 | -165.6 | -54.2 | -63.7 | 0 | 0 | 0 | 115.9 | ||||
| 979 | R | 29 | Very low | 30.9 | Very low | 214 Ų | 214 | 120.1 Ų | 120.1 | 81% | 0.808 | 63% | 0.631 | S | S | * | * | cis | -169.6 | 167.7 | 19.7 | -158.4 | -165.9 | -106.8 | -174.6 | -6.5 | 114.5 | ||||
| 980 | L | 29.4 | Very low | 30.8 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 69% | 0.686 | 65% | 0.649 | S | S | * | * | trans | 76.3 | 129.3 | 166.3 | -65.8 | 123 | 0 | 0 | 0 | 117.1 | ||||
| 981 | E | 29.5 | Very low | 30.4 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 78% | 0.78 | 67% | 0.667 | S | S | * | * | cis | 81.2 | 144.3 | 47.3 | -71.5 | 179.8 | 145 | 0 | 0 | 114.1 | ||||
| 982 | S | 30.1 | Very low | 30 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | cis | -173.7 | 174.7 | -9.8 | 54.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 983 | Q | 26.6 | Very low | 29.7 | Very low | 188 Ų | 188 | 135.3 Ų | 135.3 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | cis | -166.4 | 159.5 | -25.2 | -103.3 | 169.1 | -20.1 | 0 | 0 | 108 | ||||
| 984 | S | 26.9 | Very low | 29.8 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | trans | -162.1 | 168.8 | 163.4 | 68.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 985 | L | 27.1 | Very low | 29.6 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -141.6 | 165 | -164.2 | -102.7 | 167.5 | 0 | 0 | 0 | 114.2 | ||||
| 986 | F | 29.9 | Very low | 29.5 | Very low | 165 Ų | 165 | 141 Ų | 141 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | trans | 72.9 | 103.6 | 163.3 | -69.1 | -64.8 | 0 | 0 | 0 | 122.5 | ||||
| 987 | Q | 29.7 | Very low | 29.5 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 65.6 | 113.1 | 119.1 | -89.2 | 176.3 | -19 | 0 | 0 | 124.2 | |||||
| 988 | S | 26.4 | Very low | 29.5 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | 72.2 | 106.4 | 125.6 | 65.4 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 989 | S | 28.6 | Very low | 29.6 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | 98.8 | 127.1 | 114.8 | 74.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 990 | S | 30.2 | Very low | 29.7 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | 85 | 101.3 | 149 | 75.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 991 | C | 23.8 | Very low | 29.9 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | 46.2 | 111.5 | 124.4 | -55.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 992 | K | 29.7 | Very low | 30.1 | Very low | 211 Ų | 211 | 136.8 Ų | 136.8 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | -167.7 | 161.8 | 121.9 | -104.6 | 154.5 | -172.9 | 173.1 | 0 | 112.7 | |||||
| 993 | V | 29.4 | Very low | 30.3 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | -133.4 | 136.7 | -179.9 | 174.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 994 | P | 36.9 | Very low | 30.6 | Very low | 127 Ų | 127 | 142 Ų | 142 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | -146 | 150.9 | 125.8 | 33.9 | -16.4 | 0 | 0 | 0 | 117.1 | |||||
| 995 | N | 31.5 | Very low | 31 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | -37.3 | 157.7 | 173.6 | -69.3 | -35.7 | 0 | 0 | 0 | 122.3 | ||||
| 996 | S | 32.5 | Very low | 31.4 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | 105.6 | 128.3 | 128.3 | 65.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 997 | K | 30.3 | Very low | 31.5 | Very low | 202 Ų | 202 | 145.8 Ų | 145.8 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | trans | 20.5 | 146.6 | 131.1 | -62 | 179.6 | -177.3 | -179.9 | 0 | 119.2 | ||||
| 998 | S | 32.1 | Very low | 31.7 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | cis | -172.6 | 159.5 | 7.7 | 38.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 999 | D | 31.4 | Very low | 31.9 | Very low | 146 Ų | 146 | 153 Ų | 153 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | 62 | 158.3 | 153.6 | -61.6 | 0.9 | 0 | 0 | 0 | 118.7 | ||||
| 1000 | N | 32.5 | Very low | 32.2 | Very low | 115 Ų | 115 | 155.6 Ų | 155.6 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | cis | -158 | 155.1 | -1.2 | -134 | -31.1 | 0 | 0 | 0 | 112.8 | ||||
| 1001 | H | 33.5 | Very low | 32.2 | Very low | 164 Ų | 164 | 156.6 Ų | 156.6 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 57.8 | 155 | 157.9 | -67.1 | -55.8 | 0 | 0 | 0 | 119.9 | ||||
| 1002 | V | 33.5 | Very low | 32.6 | Very low | 109 Ų | 109 | 161.2 Ų | 161.2 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | cis | -161.3 | 163.5 | -7.9 | 117.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1003 | N | 33.5 | Very low | 32.6 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 69.6 | 140.7 | 172.1 | -73.9 | -34.4 | 0 | 0 | 0 | 116.7 | ||||
| 1004 | R | 32.9 | Very low | 32.8 | Very low | 240 Ų | 240 | 160.1 Ų | 160.1 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | cis | -157.4 | 159.8 | 16.8 | -166.7 | 169.4 | 174.3 | 151.5 | -4.6 | 111.7 | ||||
| 1005 | A | 36 | Very low | 32.6 | Very low | 86 Ų | 86 | 161.3 Ų | 161.3 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 79.1 | 106.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1006 | K | 35.3 | Very low | 32.9 | Very low | 202 Ų | 202 | 158.8 Ų | 158.8 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | trans | 41.3 | 117.8 | 133.5 | -60.6 | -179.1 | -178.2 | -179 | 0 | 119 | ||||
| 1007 | R | 32.8 | Very low | 33.1 | Very low | 234 Ų | 234 | 161.3 Ų | 161.3 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | cis | 57.3 | 142.2 | 36.9 | -74.9 | -178.9 | 170.5 | 174.7 | -2.1 | 114.1 | ||||
| 1008 | K | 32.7 | Very low | 33.5 | Very low | 187 Ų | 187 | 159 Ų | 159 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | cis | -156.8 | 179 | 19.2 | -140.7 | 178.9 | -178.6 | -172.7 | 0 | 112.6 | ||||
| 1009 | R | 31.1 | Very low | 33.6 | Very low | 227 Ų | 227 | 162.3 Ų | 162.3 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -86.3 | 161.2 | 174.4 | -60.4 | 172.5 | 172.9 | 172.6 | -4.9 | 113.3 | ||||
| 1010 | Q | 34.7 | Very low | 33.6 | Very low | 161 Ų | 161 | 159 Ų | 159 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | 140.6 | 122.4 | 126.9 | -83.3 | 175.6 | -66.1 | 0 | 0 | 118.1 | |||||
| 1011 | N | 30.5 | Very low | 33.7 | Very low | 127 Ų | 127 | 158 Ų | 158 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | 49.2 | 136 | 128.1 | -63.7 | 14.1 | 0 | 0 | 0 | 125.8 | |||||
| 1012 | Y | 31 | Very low | 33.7 | Very low | 215 Ų | 215 | 158.5 Ų | 158.5 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | 70.8 | 113.2 | 142.4 | -76.5 | -57.9 | 0 | 0 | 0 | 123.8 | ||||
| 1013 | S | 31.4 | Very low | 33.7 | Very low | 98 Ų | 98 | 159.8 Ų | 159.8 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | 77.7 | 112 | 122.8 | -175.1 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1014 | R | 31.6 | Very low | 33.9 | Very low | 221 Ų | 221 | 160.1 Ų | 160.1 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 74.6 | 138.7 | 140.9 | -81.8 | -178 | 168 | 164.8 | -2.5 | 122 | ||||
| 1015 | N | 33.7 | Very low | 34 | Very low | 151 Ų | 151 | 153.3 Ų | 153.3 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | 68.2 | 158.1 | 157.8 | -56.9 | -4.8 | 0 | 0 | 0 | 117.4 | ||||
| 1016 | S | 37.6 | Very low | 34 | Very low | 92 Ų | 92 | 156.3 Ų | 156.3 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | cis | -172.1 | 139.5 | -35.8 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1017 | M | 37.1 | Very low | 33.9 | Very low | 163 Ų | 163 | 149.6 Ų | 149.6 | 80% | 0.803 | 77% | 0.765 | S | S | * | * | trans | 64.8 | 160.2 | 162.1 | -74.9 | 168.5 | 50.7 | 0 | 0 | 118.1 | ||||
| 1018 | K | 38 | Very low | 34.1 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | cis | -170.2 | 138.3 | -29.3 | -116.8 | -174.9 | 166.9 | -154.9 | 0 | 111.4 | ||||
| 1019 | H | 35 | Very low | 34.3 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | 55.5 | 162.7 | 159.4 | -50.3 | -57.6 | 0 | 0 | 0 | 118.3 | ||||
| 1020 | G | 32.2 | Very low | 34.5 | Very low | 77 Ų | 77 | 141.9 Ų | 141.9 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | cis | -163 | -153.8 | 0.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1021 | A | 32.9 | Very low | 34.6 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | cis | -171.2 | -178.5 | -15 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1022 | E | 34.6 | Very low | 34.9 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 72 | 148.7 | 159.1 | -59.4 | -160.9 | 167.1 | 0 | 0 | 121.6 | ||||
| 1023 | N | 32.9 | Very low | 35.3 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | cis | -170 | 180 | -37.1 | -114.9 | -23.6 | 0 | 0 | 0 | 112.5 | ||||
| 1024 | I | 38.5 | Very low | 35.4 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 82% | 0.821 | 74% | 0.74 | S | S | * | * | trans | 75.5 | 122.8 | 168.6 | -47.3 | 177.2 | 0 | 0 | 0 | 115 | ||||
| 1025 | S | 35.1 | Very low | 35.7 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | cis | -155.2 | -154.7 | -14.4 | 52 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1026 | N | 34.3 | Very low | 35.9 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | cis | -163.8 | -157.3 | 8.9 | -147.9 | -69.3 | 0 | 0 | 0 | 109.7 | ||||
| 1027 | G | 34.9 | Very low | 35.9 | Very low | 61 Ų | 61 | 135.5 Ų | 135.5 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | trans | 115.6 | 39 | 140.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1028 | F | 36.1 | Very low | 35.7 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | trans | 52.1 | 122.7 | 157.2 | -80.4 | -74.4 | 0 | 0 | 0 | 123.9 | ||||
| 1029 | K | 37.3 | Very low | 35.5 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | trans | 62 | 126.9 | 149.8 | -66.5 | 158.1 | -179.9 | 172.4 | 0 | 116.6 | ||||
| 1030 | N | 34.7 | Very low | 35.6 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | cis | -168.4 | 169.7 | 15.5 | -112.7 | 6.4 | 0 | 0 | 0 | 108.4 | ||||
| 1031 | I | 37.8 | Very low | 35.7 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | cis | -168.5 | 178.3 | -6.2 | -168.5 | 164.3 | 0 | 0 | 0 | 108.9 | ||||
| 1032 | N | 37.4 | Very low | 36 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 78.5 | -168.3 | 162.1 | -72.8 | -20.6 | 0 | 0 | 0 | 119.8 | ||||
| 1033 | N | 37.9 | Very low | 35.9 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | -144.4 | 168.2 | -154.7 | -73.4 | -90.6 | 0 | 0 | 0 | 111.3 | ||||
| 1034 | G | 34.2 | Very low | 36.3 | Very low | 61 Ų | 61 | 143.7 Ų | 143.7 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | cis | 127.3 | 145.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1035 | R | 38.4 | Very low | 36.1 | Very low | 232 Ų | 232 | 142.4 Ų | 142.4 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | trans | 73.4 | 166.1 | 180 | -43.8 | 173.7 | -168 | -177.7 | 2.2 | 112.7 | ||||
| 1036 | T | 37.5 | Very low | 36 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | cis | -123.7 | -150.1 | 7.9 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1037 | A | 37.6 | Very low | 36.1 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -168.4 | 167.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1038 | S | 32 | Very low | 36.1 | Very low | 114 Ų | 114 | 150.1 Ų | 150.1 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | -175.5 | 170.2 | 119.5 | -155.9 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1039 | K | 34.4 | Very low | 36.5 | Very low | 184 Ų | 184 | 147.8 Ų | 147.8 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -65 | 165.4 | -165.6 | -61.6 | 147 | -177 | 177.6 | 0 | 115.9 | ||||
| 1040 | R | 36.4 | Very low | 36.4 | Very low | 243 Ų | 243 | 144.5 Ų | 144.5 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | cis | 72.3 | 142.8 | 37.2 | -60.9 | -174.4 | 178.2 | -169.4 | -0.2 | 114.2 | ||||
| 1041 | S | 34 | Very low | 36.3 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | cis | -152.3 | -173 | 15.9 | -157.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1042 | V | 39.2 | Very low | 36.2 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | -147 | 143.9 | -167.7 | 175.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1043 | R | 34.2 | Very low | 36 | Very low | 237 Ų | 237 | 147.8 Ų | 147.8 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -163.2 | -165.3 | 151.5 | -137.4 | -164.7 | 167 | 145.8 | 3.1 | 115.3 | ||||
| 1044 | S | 39.6 | Very low | 35.8 | Very low | 98 Ų | 98 | 149.7 Ų | 149.7 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -159.3 | -179.1 | -172.7 | 49.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1045 | N | 36.3 | Very low | 35.7 | Very low | 134 Ų | 134 | 152.3 Ų | 152.3 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | cis | -168.2 | -177.1 | 25.1 | -162.6 | 35.2 | 0 | 0 | 0 | 114 | ||||
| 1046 | F | 32.5 | Very low | 35.5 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 94.4 | 130.8 | 154.9 | -94.8 | -65.4 | 0 | 0 | 0 | 122.7 | ||||
| 1047 | V | 35.7 | Very low | 35.3 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 73.9 | 141.5 | 165.8 | -171.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1048 | N | 36.1 | Very low | 35.2 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -121 | 154.1 | -175.9 | -99.8 | -16.1 | 0 | 0 | 0 | 109 | ||||
| 1049 | P | 44.2 | Very low | 35.4 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | -146 | -174.4 | 67.4 | 39.6 | -19.5 | 0 | 0 | 0 | 116.5 | |||||
| 1050 | A | 34.9 | Very low | 35.5 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -77.3 | 162.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1051 | G | 31.9 | Very low | 35.5 | Very low | 66 Ų | 66 | 137.3 Ų | 137.3 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | cis | 154.4 | -176.6 | -3.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1052 | K | 35.1 | Very low | 35.3 | Very low | 214 Ų | 214 | 137 Ų | 137 | 93% | 0.93 | 75% | 0.746 | S | S | * | * | trans | 74.4 | 154.7 | -177.8 | -60.5 | 169.7 | -178.7 | 171.1 | 0 | 113.8 | ||||
| 1053 | K | 35.1 | Very low | 35.1 | Very low | 194 Ų | 194 | 136.1 Ų | 136.1 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | cis | -121 | -113.2 | 21.5 | -158.4 | 172.9 | -177.3 | 176.8 | 0 | 116.6 | ||||
| 1054 | R | 32 | Very low | 35 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | trans | -166.5 | 177.3 | -166.3 | -171.3 | -155.9 | 168.8 | -117.8 | -4.9 | 108.8 | S1057 | R1054-S1057 PolarHBondContact NH2-O 2.82Š| ||
| 1055 | I | 32.1 | Very low | 34.8 | Very low | 115 Ų | 115 | 133 Ų | 133 | 59% | 0.59 | 73% | 0.728 | S | S | * | * | trans | 94.9 | 144.1 | 159.4 | -42.3 | 143.4 | 0 | 0 | 0 | 111.1 | ||||
| 1056 | I | 35.9 | Very low | 34.4 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | S | Bend | cis | -115.1 | 140.2 | 14.6 | -44.8 | 151.6 | 0 | 0 | 0 | 107.5 | ||
| 1057 | S | 33.1 | Very low | 34.4 | Very low | 74 Ų | 74 | 132 Ų | 132 | 52% | 0.517 | 73% | 0.732 | S | S | . | * | cis | -135.4 | -130.4 | 34.6 | -32.7 | 0 | 0 | 0 | 0 | 112.7 | R1054 | R1054-S1057 PolarHBondContact NH2-O 2.82Š| ||
| 1058 | S | 35.8 | Very low | 34.1 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | -156.7 | 159 | -92.5 | 52 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1059 | D | 34.6 | Very low | 34.1 | Very low | 127 Ų | 127 | 129 Ų | 129 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | cis | -164.8 | -164 | -36.1 | -139.6 | 59.4 | 0 | 0 | 0 | 105.7 | ||||
| 1060 | T | 37.7 | Very low | 33.4 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | cis | -158.1 | -175.2 | 9.3 | -153.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1061 | I | 35.4 | Very low | 33.1 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | trans | -12.4 | 148.5 | 153.9 | -66.2 | 164.6 | 0 | 0 | 0 | 118 | ||||
| 1062 | T | 30.9 | Very low | 33.1 | Very low | 111 Ų | 111 | 137 Ų | 137 | 68% | 0.681 | 71% | 0.711 | S | S | * | * | cis | -177.1 | 170.6 | -26.9 | 49.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1063 | V | 35 | Very low | 32.8 | Very low | 120 Ų | 120 | 131 Ų | 131 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | 85.4 | 122.4 | 139.9 | 150.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1064 | N | 32.5 | Very low | 32.9 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 67% | 0.668 | 70% | 0.695 | S | S | * | * | trans | 74.9 | 151.1 | 144.1 | -77.5 | 18 | 0 | 0 | 0 | 126.5 | ||||
| 1065 | H | 34 | Very low | 33 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | trans | 57.3 | 115.1 | 157.9 | -67.5 | -61 | 0 | 0 | 0 | 118.2 | ||||
| 1066 | Q | 27.6 | Very low | 33.2 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | 83.6 | 158.3 | 75.6 | -91.2 | -177.2 | -27.7 | 0 | 0 | 114.7 | |||||
| 1067 | T | 32.6 | Very low | 34 | Very low | 135 Ų | 135 | 127 Ų | 127 | 83% | 0.828 | 70% | 0.701 | S | S | * | * | trans | 64.2 | 121.7 | 173.1 | 50.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1068 | S | 30.2 | Very low | 34.4 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | trans | -87.9 | 143.3 | 156.6 | -44.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1069 | P | 36.1 | Very low | 34.3 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 74% | 0.74 | 71% | 0.712 | S | S | * | * | -127.3 | 149.4 | 104.6 | 4.1 | 18 | 0 | 0 | 0 | 111.1 | |||||
| 1070 | I | 28.6 | Very low | 34.3 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | 80.8 | 112.8 | 53.7 | -63.8 | 170.2 | 0 | 0 | 0 | 113.7 | |||||
| 1071 | R | 29.2 | Very low | 34 | Very low | 203 Ų | 203 | 131.1 Ų | 131.1 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | trans | 63.7 | 167.8 | 157.8 | -76.2 | 164.8 | 164 | -140 | -4.4 | 117.6 | ||||
| 1072 | E | 31.1 | Very low | 33.7 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 56% | 0.556 | 73% | 0.73 | S | S | * | * | cis | -139.8 | 119.7 | -3.6 | -128 | 130.2 | -168.5 | 0 | 0 | 105.9 | ||||
| 1073 | S | 30.6 | Very low | 33.6 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | 41 | 121.4 | 85.8 | 78.6 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1074 | H | 35.9 | Very low | 33.3 | Very low | 178 Ų | 178 | 134 Ų | 134 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | -164 | 147.7 | 133.6 | -74.4 | -42 | 0 | 0 | 0 | 105.4 | ||||
| 1075 | S | 35 | Very low | 33.4 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | S | Bend | cis | -154.9 | 158.7 | 24.4 | 43.4 | 0 | 0 | 0 | 0 | 108.9 | ||
| 1076 | H | 36.1 | Very low | 33.5 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | cis | -148.8 | 173 | 10.4 | -105.3 | -30.3 | 0 | 0 | 0 | 110.6 | ||||
| 1077 | P | 52 | Low | 33.7 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | trans | -133.2 | -150.2 | -131.7 | 49.4 | -33.1 | 0 | 0 | 0 | 113.3 | ||||
| 1078 | P | 42 | Very low | 33.5 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | cis | -137.5 | -176.5 | -11.1 | 40.2 | -21.2 | 0 | 0 | 0 | 117.9 | ||||
| 1079 | C | 33.3 | Very low | 33.4 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 78% | 0.784 | 74% | 0.735 | S | S | * | * | trans | 75.4 | 161.9 | 164 | -60.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1080 | T | 33.8 | Very low | 33.2 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | cis | -143.9 | -170.1 | 6.2 | -25.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1081 | V | 32.2 | Very low | 33.3 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -139 | 130.9 | -175.1 | -91.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1082 | A | 29.7 | Very low | 33.8 | Very low | 84 Ų | 84 | 130.6 Ų | 130.6 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | 49.3 | 151.3 | 122.3 | 0 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 1083 | F | 28.7 | Very low | 34.1 | Very low | 192 Ų | 192 | 130.9 Ų | 130.9 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | trans | 81.4 | 145.3 | 155.2 | -78.7 | -73.2 | 0 | 0 | 0 | 123.2 | ||||
| 1084 | D | 29.2 | Very low | 34.1 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | 67.3 | 136.8 | 157.4 | -60.9 | -18.3 | 0 | 0 | 0 | 125.1 | ||||
| 1085 | T | 32.6 | Very low | 34.3 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -98.8 | 171.7 | 160.9 | 63 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1086 | P | 37 | Very low | 33.9 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | cis | -140.6 | -178.9 | 7.7 | 43.3 | -26.1 | 0 | 0 | 0 | 116.1 | ||||
| 1087 | K | 31.9 | Very low | 33.8 | Very low | 194 Ų | 194 | 127.8 Ų | 127.8 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | 64.7 | 149.7 | 149.8 | -80.5 | 168.9 | -176.2 | 178.3 | 0 | 117.8 | ||||
| 1088 | N | 28.3 | Very low | 32.9 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | cis | -164.4 | 159.9 | -9.9 | -150 | 12.9 | 0 | 0 | 0 | 110.7 | ||||
| 1089 | V | 28.4 | Very low | 32.3 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 53% | 0.533 | 75% | 0.746 | S | S | . | * | trans | 58.5 | 109.4 | 163.8 | -159.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 1090 | H | 32 | Very low | 31.7 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | -175.2 | 149.3 | 92.4 | -95.5 | -82.4 | 0 | 0 | 0 | 110 | |||||
| 1091 | I | 30.4 | Very low | 31.4 | Very low | 132 Ų | 132 | 135 Ų | 135 | 68% | 0.677 | 74% | 0.738 | S | S | * | * | cis | 79.5 | 122.6 | -1.3 | -46.3 | 172.5 | 0 | 0 | 0 | 116.8 | ||||
| 1092 | P | 40 | Very low | 31.2 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 69% | 0.688 | 73% | 0.732 | S | S | * | * | cis | -129.9 | -157.8 | -19.4 | 39.2 | -17.2 | 0 | 0 | 0 | 112.3 | ||||
| 1093 | P | 37.3 | Very low | 30.8 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | -136.6 | 166.9 | 72 | 39.1 | -23.4 | 0 | 0 | 0 | 116 | |||||
| 1094 | V | 29.3 | Very low | 30.6 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 65% | 0.648 | 73% | 0.727 | S | S | * | * | trans | -122.7 | 146 | 178.3 | 172.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1095 | P | 40.2 | Very low | 30.7 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | -125.4 | 134.7 | 124.6 | 34.8 | -29.3 | 0 | 0 | 0 | 110.7 | |||||
| 1096 | N | 28 | Very low | 30.4 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | cis | 71.5 | 85 | 47.1 | -78.8 | -2.9 | 0 | 0 | 0 | 115.7 | ||||
| 1097 | S | 33.2 | Very low | 29.8 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | -165 | 117.5 | 134.3 | 46.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1098 | Q | 32.6 | Very low | 29.5 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | 64.4 | 131.5 | 95.9 | -71.8 | 171 | -16.2 | 0 | 0 | 113.6 | |||||
| 1099 | H | 29.3 | Very low | 29.2 | Very low | 145 Ų | 145 | 130 Ų | 130 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | cis | -145 | 147.1 | 10.4 | -107.3 | -69.4 | 0 | 0 | 0 | 111.9 | ||||
| 1100 | S | 21.4 | Very low | 29 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | trans | -77.2 | 152.5 | 148.5 | 54.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1101 | W | 28 | Very low | 28.6 | Very low | 214 Ų | 214 | 130 Ų | 130 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | trans | -175 | 155.6 | 140.3 | -87 | 118.1 | 0 | 0 | 0 | 111.7 | ||||
| 1102 | N | 27.3 | Very low | 28.3 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | trans | -27.7 | 146.3 | 170.9 | -69.1 | -13.6 | 0 | 0 | 0 | 118.4 | ||||
| 1103 | L | 22.4 | Very low | 27.7 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | 78.7 | 130.9 | 56.2 | -153 | 91.6 | 0 | 0 | 0 | 113.4 | |||||
| 1104 | N | 24.5 | Very low | 27 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | trans | 70.6 | 144.1 | -179.8 | -49.1 | -27.5 | 0 | 0 | 0 | 114.4 | ||||
| 1105 | H | 29.9 | Very low | 26.7 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | cis | -145.1 | 154.9 | 35.1 | -97.9 | -99.9 | 0 | 0 | 0 | 114.7 | ||||
| 1106 | L | 27.8 | Very low | 26.1 | Very low | 144 Ų | 144 | 135 Ų | 135 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 45.7 | 124.1 | 143 | -58.6 | 169.2 | 0 | 0 | 0 | 119.7 | ||||
| 1107 | S | 23.6 | Very low | 26 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | cis | 96.7 | 128.8 | 41.9 | -71.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1108 | A | 24.8 | Very low | 25.8 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | trans | 68.7 | 152.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1109 | T | 23.8 | Very low | 25.7 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | cis | -167.1 | 162.8 | -16.2 | 21.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1110 | L | 23.9 | Very low | 25.7 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | 65.4 | 128.9 | 147.6 | -81.7 | 157.8 | 0 | 0 | 0 | 121.7 | ||||
| 1111 | S | 23.8 | Very low | 26.2 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | 61.8 | 167.2 | 148.2 | -71.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1112 | S | 24.2 | Very low | 26.2 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 55% | 0.545 | 75% | 0.751 | S | S | . | * | cis | -174.3 | 155.2 | -38.1 | -173.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1113 | Y | 26.1 | Very low | 26.2 | Very low | 218 Ų | 218 | 131.1 Ų | 131.1 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | 63 | 164.3 | 173.7 | -58.4 | -68.7 | 0 | 0 | 0 | 115.5 | ||||
| 1114 | C | 23.7 | Very low | 26.6 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 68% | 0.676 | 75% | 0.752 | S | S | * | * | cis | -153.7 | 163.5 | -46.8 | -142.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1115 | L | 23.2 | Very low | 26.8 | Very low | 152 Ų | 152 | 131 Ų | 131 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | 30.2 | 119.7 | 154.4 | -66.1 | 164.2 | 0 | 0 | 0 | 120.7 | ||||
| 1116 | T | 26.2 | Very low | 26.8 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 91% | 0.908 | 75% | 0.752 | S | S | * | * | -167.9 | 158.3 | 122 | 11.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1117 | I | 25.9 | Very low | 26.9 | Very low | 159 Ų | 159 | 128 Ų | 128 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | trans | -121.4 | 129.7 | 177.8 | -70.6 | 168.9 | 0 | 0 | 0 | 106.1 | ||||
| 1118 | P | 30.5 | Very low | 27.1 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | -141.1 | -168.5 | 88.8 | 36.6 | -15.6 | 0 | 0 | 0 | 111.8 | |||||
| 1119 | S | 29 | Very low | 27.4 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | cis | -151 | 176.8 | 17.1 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1120 | I | 29.7 | Very low | 27.7 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | -127 | 146.1 | 162.7 | -39.6 | 176.8 | 0 | 0 | 0 | 108 | ||||
| 1121 | P | 32.2 | Very low | 27.9 | Very low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 76% | 0.758 | S | S | * | * | -139.1 | 170.2 | 118.2 | 35.4 | -21.5 | 0 | 0 | 0 | 114.2 | |||||
| 1122 | N | 27.9 | Very low | 28.2 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | trans | -105.3 | 152.1 | -160.9 | -69.9 | -29.5 | 0 | 0 | 0 | 116 | ||||
| 1123 | S | 28.1 | Very low | 28.3 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | 68.5 | 163.6 | 146.9 | 81.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1124 | S | 29.8 | Very low | 28.3 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | cis | -155.7 | 156.2 | 4.8 | 73.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1125 | H | 28.9 | Very low | 28.5 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | 43.9 | 148.7 | 149.6 | -60.2 | -48.8 | 0 | 0 | 0 | 122.6 | ||||
| 1126 | S | 28.9 | Very low | 29 | Very low | 85 Ų | 85 | 130.5 Ų | 130.5 | 59% | 0.594 | 77% | 0.772 | S | S | * | * | cis | -170.2 | 165 | -10.8 | 52.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1127 | N | 29.9 | Very low | 29 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | 69.7 | 152.1 | 156.9 | -61.2 | -21.4 | 0 | 0 | 0 | 120.4 | ||||
| 1128 | S | 29.2 | Very low | 29.2 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | cis | -172.2 | 178 | -25.8 | -167.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1129 | L | 31 | Very low | 29.3 | Very low | 157 Ų | 157 | 126.6 Ų | 126.6 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | 82.3 | 136.9 | 166.2 | -55.8 | 168.6 | 0 | 0 | 0 | 118.3 | ||||
| 1130 | V | 28.9 | Very low | 29.3 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 71% | 0.709 | 73% | 0.73 | S | S | * | * | cis | -161.3 | 168.6 | -19.7 | 97.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1131 | T | 29 | Very low | 29.4 | Very low | 134 Ų | 134 | 125 Ų | 125 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | trans | 94.9 | 131.6 | 179.4 | 66.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1132 | A | 29.8 | Very low | 29.4 | Very low | 86 Ų | 86 | 122.8 Ų | 122.8 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | cis | -151.7 | 139.5 | -12.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1133 | Q | 26.1 | Very low | 29.7 | Very low | 180 Ų | 180 | 121.4 Ų | 121.4 | 84% | 0.841 | 70% | 0.696 | S | S | * | * | trans | 38.6 | 107.5 | 147.9 | -59.9 | -177.8 | -7.8 | 0 | 0 | 121.3 | ||||
| 1134 | L | 26.5 | Very low | 30 | Very low | 168 Ų | 168 | 124.9 Ų | 124.9 | 88% | 0.88 | 69% | 0.691 | S | S | * | * | 170.3 | 130.8 | 108.2 | -91.7 | 153.3 | 0 | 0 | 0 | 112.3 | |||||
| 1135 | P | 27.6 | Very low | 30.7 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 78% | 0.779 | 68% | 0.675 | S | S | * | * | trans | -101.8 | 168.5 | -173.1 | 38.4 | -35 | 0 | 0 | 0 | 116.3 | ||||
| 1136 | P | 32.8 | Very low | 31.6 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 75% | 0.747 | 65% | 0.654 | S | S | * | * | trans | -121.8 | 175.5 | -154.9 | 43.7 | -32.9 | 0 | 0 | 0 | 117.6 | ||||
| 1137 | N | 27.2 | Very low | 32.2 | Very low | 79 Ų | 79 | 119.2 Ų | 119.2 | 42% | 0.422 | 65% | 0.652 | S | S | . | * | trans | 168.3 | 145.9 | 147.3 | -89.3 | 4.4 | 0 | 0 | 0 | 107.1 | ||||
| 1138 | H | 29.7 | Very low | 33.2 | Very low | 121 Ų | 121 | 114.2 Ų | 114.2 | 56% | 0.56 | 63% | 0.629 | S | S | * | * | cis | -137.8 | 145.1 | 22.3 | -108.1 | -87.6 | 0 | 0 | 0 | 114.2 | ||||
| 1139 | I | 34.1 | Very low | 34.3 | Very low | 140 Ų | 140 | 116.5 Ų | 116.5 | 72% | 0.718 | 62% | 0.623 | S | S | * | * | trans | 26 | 131.9 | 137.1 | -54.3 | -179.7 | 0 | 0 | 0 | 120.6 | ||||
| 1140 | S | 28.3 | Very low | 35.2 | Very low | 88 Ų | 88 | 110.3 Ų | 110.3 | 62% | 0.615 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -88 | 128.6 | 164.8 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1141 | L | 32.4 | Very low | 36.1 | Very low | 130 Ų | 130 | 109.4 Ų | 109.4 | 68% | 0.681 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 142.8 | 166.1 | -65.6 | 173.7 | 0 | 0 | 0 | 110.2 | ||
| 1142 | M | 31.8 | Very low | 37.3 | Very low | 82 Ų | 82 | 109.6 Ų | 109.6 | 40% | 0.404 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -99.1 | 164.8 | 178 | -65.3 | -153.3 | 81.8 | 0 | 0 | 111.3 | R786 V787 R1144 D1145 | R786-M1142 HydrophobicContact CB-CE 3.91Å; V787-M1142 HydrophobicContact CG2-CE 4.22Å; M1142-R1144 PolarHBondContact O-N 3.3Å; M1142-D1145 PolarHBondContact O-N 3Å |
| 1143 | E | 33.5 | Very low | 38.6 | Very low | 106 Ų | 106 | 107.4 Ų | 107.4 | 50% | 0.495 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.5 | -19.9 | 179.2 | -167.2 | 162.4 | -123.5 | 0 | 0 | 113.9 | T790 D1145 I1146 | T790-E1143 WeakPolarHBondContact CB-OE1 3.46Å; T790-E1143 WeakPolarHBondContact CB-OE2 3.35Å; T790-E1143 HydrophobicContact CG2-CB 4Å; T790-E1143 HydrophobicContact CG2-CG 4.49Å; T790-E1143 WeakPolarHBondContact CG2-OE2 3.45Å; E1143-D1145 PolarHBondContact O-N 2.72Å; E1143-I1146 PolarHBondContact O-N 3.26Å |
| 1144 | R | 35.7 | Very low | 40.1 | Very low | 191 Ų | 191 | 101.9 Ų | 101.9 | 72% | 0.721 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -56.4 | -22.8 | 169.6 | -74 | 178 | 166.3 | 171.1 | -8.2 | 114.5 | M1142 D1147 S1148 | M1142-R1144 PolarHBondContact O-N 3.3Å; R1144-D1147 PolarHBondContact O-N 3.26Å; R1144-S1148 PolarHBondContact O-N 2.82Å |
| 1145 | D | 44.3 | Very low | 41.9 | Very low | 54 Ų | 54 | 102.7 Ų | 102.7 | 29% | 0.289 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -83.4 | -12.1 | -178.9 | -76.5 | -61.1 | 0 | 0 | 0 | 114.5 | M1142 E1143 D1147 S1148 W1149 | M1142-D1145 PolarHBondContact O-N 3Å; E1143-D1145 PolarHBondContact O-N 2.72Å; D1145-D1147 VanDerWaalsContact C-N 3.34Å; D1145-S1148 WeakPolarHBondContact CA-OG 3.36Å; D1145-S1148 PolarHBondContact O-N 2.78Å; D1145-S1148 PolarHBondContact O-OG 3.35Å; D1145-S1148 PolarHBondContact OD1-OG 2.95Å; D1145-W1149 VanDerWaalsContact O-CB 3.31Å; D1145-W1149 WeakPolarHBondContact O-CB 3.26Å; D1145-W1149 PolarHBondContact O-N 2.84Å |
| 1146 | I | 47.1 | Very low | 44.3 | Very low | 77 Ų | 77 | 98.5 Ų | 98.5 | 40% | 0.395 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 167.3 | -62.9 | 178.4 | 0 | 0 | 0 | 109.2 | E1143 L1150 | E1143-I1146 PolarHBondContact O-N 3.26Å; I1146-L1150 HydrophobicContact CG2-CD1 4.15Å; I1146-L1150 WeakPolarHBondContact O-CG 3.49Å; I1146-L1150 PolarHBondContact O-N 2.64Å |
| 1147 | D | 42.4 | Very low | 46.6 | Very low | 105 Ų | 105 | 100.2 Ų | 100.2 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.5 | -48.2 | 169.8 | -64.3 | -34.8 | 0 | 0 | 0 | 110.5 | R1144 D1145 W1149 L1150 C1151 | R1144-D1147 PolarHBondContact O-N 3.26Å; D1145-D1147 VanDerWaalsContact C-N 3.34Å; D1147-W1149 VanDerWaalsContact C-N 3.27Å; D1147-W1149 PolarHBondContact O-N 2.92Å; D1147-L1150 CarbonylContact O-C 3.58Å; D1147-L1150 WeakPolarHBondContact O-CA 3.14Å; D1147-L1150 PolarHBondContact O-N 3.2Å; D1147-C1151 WeakPolarHBondContact O-CB 3.31Å; D1147-C1151 PolarHBondContact O-N 2.84Å; D1147-C1151 PolarHBondContact O-SG 3.47Å |
| 1148 | S | 50.5 | Low | 49.4 | Very low | 49 Ų | 49 | 96.8 Ų | 96.8 | 34% | 0.343 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.6 | -36.3 | 179.9 | 88.3 | 0 | 0 | 0 | 0 | 113.3 | R1144 D1145 L1150 | R1144-S1148 PolarHBondContact O-N 2.82Å; D1145-S1148 WeakPolarHBondContact CA-OG 3.36Å; D1145-S1148 PolarHBondContact O-N 2.78Å; D1145-S1148 PolarHBondContact O-OG 3.35Å; D1145-S1148 PolarHBondContact OD1-OG 2.95Å; S1148-L1150 VanDerWaalsContact C-N 3.32Å; S1148-L1150 PolarHBondContact O-N 2.96Å |
| 1149 | W | 51.4 | Low | 51.7 | Low | 148 Ų | 148 | 96.8 Ų | 96.8 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -75.3 | -16.9 | 175.2 | -81.8 | 55.2 | 0 | 0 | 0 | 114.2 | D1145 D1147 V1216 R1220 | D1145-W1149 VanDerWaalsContact O-CB 3.31Å; D1145-W1149 WeakPolarHBondContact O-CB 3.26Å; D1145-W1149 PolarHBondContact O-N 2.84Å; D1147-W1149 VanDerWaalsContact C-N 3.27Å; D1147-W1149 PolarHBondContact O-N 2.92Å; W1149-V1216 HydrophobicContact CE3-CG1 4.36Å; W1149-R1220 VanDerWaalsContact O-CZ 3.25Å; W1149-R1220 PolarHBondContact O-NE 3.13Å; W1149-R1220 PolarHBondContact O-NH2 3.34Å |
| 1150 | L | 50.8 | Low | 54.2 | Low | 27 Ų | 27 | 92.6 Ų | 92.6 | 14% | 0.141 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -97.4 | -33.9 | 174.1 | -70.6 | 169.1 | 0 | 0 | 0 | 112.1 | I1146 D1147 S1148 N1152 I1153 R1220 M1223 | I1146-L1150 HydrophobicContact CG2-CD1 4.15Å; I1146-L1150 WeakPolarHBondContact O-CG 3.49Å; I1146-L1150 PolarHBondContact O-N 2.64Å; D1147-L1150 CarbonylContact O-C 3.58Å; D1147-L1150 WeakPolarHBondContact O-CA 3.14Å; D1147-L1150 PolarHBondContact O-N 3.2Å; S1148-L1150 VanDerWaalsContact C-N 3.32Å; S1148-L1150 PolarHBondContact O-N 2.96Å; L1150-N1152 CarbonylContact O-C 3.58Å; L1150-N1152 PolarHBondContact O-N 3.05Å; L1150-I1153 WeakPolarHBondContact O-CG1 3.34Å; L1150-I1153 PolarHBondContact O-N 3.38Å; L1150-R1220 HydrophobicContact CD2-CG 3.91Å; L1150-M1223 HydrophobicContact CD1-SD 3.97Å; L1150-M1223 HydrophobicContact CD2-SD 4.2Å; L1150-M1223 HydrophobicContact CG-SD 4.47Å |
| 1151 | C | 46.6 | Very low | 57.1 | Low | 97 Ų | 97 | 90 Ų | 90 | 66% | 0.655 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -51.8 | -30.5 | -176 | -79.2 | 0 | 0 | 0 | 0 | 114.6 | D1147 I1153 | D1147-C1151 WeakPolarHBondContact O-CB 3.31Å; D1147-C1151 PolarHBondContact O-N 2.84Å; D1147-C1151 PolarHBondContact O-SG 3.47Å; C1151-I1153 PolarHBondContact O-N 3.12Å |
| 1152 | N | 55.4 | Low | 59.7 | Low | 139 Ų | 139 | 83.8 Ų | 83.8 | 74% | 0.743 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -79 | 55.3 | 167.4 | -70.4 | -29.5 | 0 | 0 | 0 | 111.1 | L1150 P1154 | L1150-N1152 CarbonylContact O-C 3.58Å; L1150-N1152 PolarHBondContact O-N 3.05Å; N1152-P1154 VanDerWaalsContact O-CD 3.3Å; N1152-P1154 WeakPolarHBondContact O-CD 3.34Å |
| 1153 | I | 57.1 | Low | 62.2 | Low | 39 Ų | 39 | 83 Ų | 83 | 20% | 0.2 | 42% | 0.422 | C | S | . | . | trans | -68.3 | 120.7 | 170.8 | -53.2 | -177.3 | 0 | 0 | 0 | 107.1 | L1150 C1151 R1155 M1223 S1224 | L1150-I1153 WeakPolarHBondContact O-CG1 3.34Å; L1150-I1153 PolarHBondContact O-N 3.38Å; C1151-I1153 PolarHBondContact O-N 3.12Å; I1153-R1155 PolarHBondContact O-N 3.06Å; I1153-R1155 VanDerWaalsContact O-N 3.13Å; I1153-M1223 HydrophobicContact CD1-CB 4.05Å; I1153-M1223 HydrophobicContact CD1-CE 4.25Å; I1153-S1224 VanDerWaalsContact CG2-OG 3.28Å; I1153-S1224 WeakPolarHBondContact CG2-OG 3.37Å | ||
| 1154 | P | 58 | Low | 64.8 | Low | 64 Ų | 64 | 85.7 Ų | 85.7 | 42% | 0.416 | 43% | 0.433 | S | S | . | . | trans | -61.6 | 118.7 | 166.4 | -18.7 | 31.5 | 0 | 0 | 0 | 108.4 | N1152 V1156 S1224 | N1152-P1154 VanDerWaalsContact O-CD 3.3Å; N1152-P1154 WeakPolarHBondContact O-CD 3.34Å; P1154-V1156 HydrophobicContact CB-CG2 4.38Å; P1154-V1156 PolarHBondContact O-N 3.06Å; P1154-V1156 VanDerWaalsContact O-N 3.12Å; P1154-S1224 WeakPolarHBondContact CD-OG 3.4Å; P1154-S1224 WeakPolarHBondContact O-CB 3.48Å; P1154-S1224 PolarHBondContact O-OG 3.42Å | ||
| 1155 | R | 64.3 | Low | 67.4 | Low | 185 Ų | 185 | 77 Ų | 77 | 70% | 0.698 | 40% | 0.4 | S | S | * | . | trans | -65.7 | 110.4 | 166.4 | -93.1 | -174.4 | 163.7 | 155.6 | 1.6 | 108 | I1153 E1231 | I1153-R1155 PolarHBondContact O-N 3.06Å; I1153-R1155 VanDerWaalsContact O-N 3.13Å; R1155-E1231 IonicContact CZ-OE1 3.28Å; R1155-E1231 VanDerWaalsContact CZ-OE1 3.28Å; R1155-E1231 IonicContact CZ-OE2 3.74Å; R1155-E1231 IonicContact NE-OE1 3.02Å; R1155-E1231 PolarHBondContact NE-OE1 3.49Å; R1155-E1231 IonicContact NE-OE2 2.96Å; R1155-E1231 PolarHBondContact NE-OE2 2.7Å; R1155-E1231 IonicContact NH2-OE1 2.7Å; R1155-E1231 PolarHBondContact NH2-OE1 2.81Å; R1155-E1231 IonicContact NH2-OE2 3.8Å | ||
| 1156 | V | 76.9 | Confident | 69.6 | Low | 32 Ų | 32 | 77.7 Ų | 77.7 | 19% | 0.194 | 41% | 0.406 | C | S | . | . | trans | -104.1 | 131.2 | 178.6 | -179 | 0 | 0 | 0 | 0 | 108.3 | P1154 L1158 Y1173 A1228 Q1232 | P1154-V1156 HydrophobicContact CB-CG2 4.38Å; P1154-V1156 PolarHBondContact O-N 3.06Å; P1154-V1156 VanDerWaalsContact O-N 3.12Å; V1156-L1158 HydrophobicContact CB-CD2 4.33Å; V1156-L1158 HydrophobicContact CG1-CD2 3.74Å; V1156-Y1173 HydrophobicContact CG1-CE2 3.88Å; V1156-A1228 WeakPolarHBondContact O-CB 3.35Å; V1156-Q1232 PolarHBondContact O-NE2 3.37Å | ||
| 1157 | I | 80.8 | Confident | 71.4 | Confident | 151 Ų | 151 | 75.9 Ų | 75.9 | 77% | 0.774 | 40% | 0.399 | S | S | * | . | trans | -84.2 | 121.4 | 166 | -59.1 | 175.2 | 0 | 0 | 0 | 107.1 | ||||
| 1158 | L | 85.9 | Confident | 73.6 | Confident | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.042 | 40% | 0.404 | C | S | . | . | trans | -89.1 | 139.7 | -179.1 | -56.2 | -178 | 0 | 0 | 0 | 110.1 | V1156 S1160 P1162 W1165 Y1173 V1225 A1228 F1233 | V1156-L1158 HydrophobicContact CB-CD2 4.33Å; V1156-L1158 HydrophobicContact CG1-CD2 3.74Å; L1158-S1160 PolarHBondContact O-N 3.17Å; L1158-P1162 HydrophobicContact CD1-CB 4.23Å; L1158-P1162 HydrophobicContact CD1-CG 3.64Å; L1158-W1165 HydrophobicContact CB-CZ2 4.15Å; L1158-W1165 HydrophobicContact CD1-CH2 4.43Å; L1158-W1165 HydrophobicContact CD1-CZ2 4.19Å; L1158-W1165 HydrophobicContact CD2-CH2 3.85Å; L1158-W1165 HydrophobicContact CD2-CZ2 3.96Å; L1158-W1165 HydrophobicContact CG-CZ2 4.32Å; L1158-Y1173 HydrophobicContact CD2-CE2 4.45Å; L1158-V1225 HydrophobicContact CD1-CG1 4.09Å; L1158-V1225 HydrophobicContact CD2-CG2 4.26Å; L1158-A1228 HydrophobicContact CD1-CB 3.71Å; L1158-A1228 HydrophobicContact CD2-CB 4.29Å; L1158-A1228 HydrophobicContact CG-CB 3.67Å; L1158-F1233 HydrophobicContact CB-CE2 4.17Å; L1158-F1233 HydrophobicContact CD1-CE2 4.49Å | ||
| 1159 | P | 79.3 | Confident | 75.4 | Confident | 121 Ų | 121 | 76.9 Ų | 76.9 | 79% | 0.786 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -71.2 | -17.7 | -179.5 | 29.9 | -36.3 | 0 | 0 | 0 | 113.3 | ||
| 1160 | S | 86.9 | Confident | 77.2 | Confident | 51 Ų | 51 | 70 Ų | 70 | 36% | 0.357 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -161.8 | 164 | -179.2 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | L1158 P1162 W1165 | L1158-S1160 PolarHBondContact O-N 3.17Å; S1160-P1162 WeakPolarHBondContact O-CD 3.43Å; S1160-W1165 PolarHBondContact O-NE1 2.9Å; S1160-W1165 PolarHBondContact OG-NE1 3.19Å |
| 1161 | N | 87.6 | Confident | 78.9 | Confident | 33 Ų | 33 | 69.3 Ų | 69.3 | 18% | 0.176 | 38% | 0.377 | C | S | . | . | trans | -64.7 | 121 | -178.3 | -177.5 | -14.6 | 0 | 0 | 0 | 111.2 | M1163 F1164 F1229 F1233 | N1161-M1163 PolarHBondContact O-N 2.6Å; N1161-M1163 VanDerWaalsContact O-N 3.12Å; N1161-M1163 WeakPolarHBondContact OD1-CB 3.26Å; N1161-M1163 PolarHBondContact OD1-N 3.43Å; N1161-F1164 HydrophobicContact CB-CD2 4.02Å; N1161-F1164 HydrophobicContact CB-CE2 4.43Å; N1161-F1164 PolarHBondContact O-N 3.25Å; N1161-F1229 WeakPolarHBondContact OD1-CD2 3.44Å; N1161-F1229 WeakPolarHBondContact OD1-CE2 3.34Å; N1161-F1233 HydrophobicContact CB-CD1 3.61Å; N1161-F1233 HydrophobicContact CB-CD2 4.42Å; N1161-F1233 HydrophobicContact CB-CE1 3.8Å; N1161-F1233 HydrophobicContact CB-CG 3.95Å; N1161-F1233 HydrophobicContact CB-CZ 4.29Å | ||
| 1162 | P | 88.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -66.2 | -12.3 | -178.4 | 28.3 | -36.4 | 0 | 0 | 0 | 114.5 | L1158 S1160 F1164 W1165 G1193 M1197 V1225 F1229 | L1158-P1162 HydrophobicContact CD1-CB 4.23Å; L1158-P1162 HydrophobicContact CD1-CG 3.64Å; S1160-P1162 WeakPolarHBondContact O-CD 3.43Å; P1162-F1164 PolarHBondContact O-N 3.41Å; P1162-W1165 HydrophobicContact CB-CD2 3.93Å; P1162-W1165 HydrophobicContact CB-CE3 4.13Å; P1162-W1165 HydrophobicContact CB-CG 4.35Å; P1162-W1165 HydrophobicContact CB-CZ2 4.32Å; P1162-W1165 HydrophobicContact CB-CZ3 4.43Å; P1162-G1193 CarbonylContact O-C 3.5Å; P1162-G1193 VanDerWaalsContact O-C 3.28Å; P1162-G1193 VanDerWaalsContact O-CA 3.26Å; P1162-G1193 WeakPolarHBondContact O-CA 3.39Å; P1162-M1197 HydrophobicContact CB-CE 3.9Å; P1162-M1197 HydrophobicContact CB-SD 4.09Å; P1162-M1197 HydrophobicContact CG-CE 3.85Å; P1162-M1197 HydrophobicContact CG-SD 3.75Å; P1162-V1225 HydrophobicContact CB-CG1 3.55Å; P1162-V1225 HydrophobicContact CG-CG1 3.79Å; P1162-F1229 HydrophobicContact CG-CB 3.8Å; P1162-F1229 HydrophobicContact CG-CD2 3.99Å; P1162-F1229 HydrophobicContact CG-CG 4.22Å |
| 1163 | M | 84.3 | Confident | 82.6 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 32% | 0.32 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -65.4 | -19.3 | 169.6 | -70.8 | -63.8 | -64.1 | 0 | 0 | 113.6 | N1161 Q1194 M1197 F1229 | N1161-M1163 PolarHBondContact O-N 2.6Å; N1161-M1163 VanDerWaalsContact O-N 3.12Å; N1161-M1163 WeakPolarHBondContact OD1-CB 3.26Å; N1161-M1163 PolarHBondContact OD1-N 3.43Å; M1163-Q1194 HydrophobicContact CE-CG 3.92Å; M1163-Q1194 VanDerWaalsContact O-CG 3.29Å; M1163-Q1194 WeakPolarHBondContact O-CG 3.38Å; M1163-Q1194 PolarHBondContact O-NE2 2.98Å; M1163-Q1194 HydrophobicContact SD-CG 4.02Å; M1163-M1197 HydrophobicContact CG-CE 3.98Å; M1163-M1197 HydrophobicContact SD-CE 3.51Å; M1163-M1197 VanDerWaalsContact SD-CE 3.51Å; M1163-F1229 HydrophobicContact CB-CE2 4.45Å; M1163-F1229 HydrophobicContact CG-CD2 4.11Å; M1163-F1229 HydrophobicContact CG-CE1 4.49Å; M1163-F1229 HydrophobicContact CG-CE2 3.39Å; M1163-F1229 HydrophobicContact CG-CZ 3.62Å; M1163-F1229 HydrophobicContact SD-CZ 4.3Å |
| 1164 | F | 87 | Confident | 84.1 | Confident | 164 Ų | 164 | 61.5 Ų | 61.5 | 72% | 0.719 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -116.4 | 5.2 | -179.1 | -52.3 | -59.4 | 0 | 0 | 0 | 113.5 | N1161 P1162 T1166 | N1161-F1164 HydrophobicContact CB-CD2 4.02Å; N1161-F1164 HydrophobicContact CB-CE2 4.43Å; N1161-F1164 PolarHBondContact O-N 3.25Å; P1162-F1164 PolarHBondContact O-N 3.41Å; F1164-T1166 PolarHBondContact O-N 2.83Å |
| 1165 | W | 91.6 | Very high | 85.4 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | trans | -66.9 | 123.7 | 175.1 | -75 | 6.5 | 0 | 0 | 0 | 111 | L1158 S1160 P1162 D1169 L1170 Y1173 D1192 G1193 V1225 | L1158-W1165 HydrophobicContact CB-CZ2 4.15Å; L1158-W1165 HydrophobicContact CD1-CH2 4.43Å; L1158-W1165 HydrophobicContact CD1-CZ2 4.19Å; L1158-W1165 HydrophobicContact CD2-CH2 3.85Å; L1158-W1165 HydrophobicContact CD2-CZ2 3.96Å; L1158-W1165 HydrophobicContact CG-CZ2 4.32Å; S1160-W1165 PolarHBondContact O-NE1 2.9Å; S1160-W1165 PolarHBondContact OG-NE1 3.19Å; P1162-W1165 HydrophobicContact CB-CD2 3.93Å; P1162-W1165 HydrophobicContact CB-CE3 4.13Å; P1162-W1165 HydrophobicContact CB-CG 4.35Å; P1162-W1165 HydrophobicContact CB-CZ2 4.32Å; P1162-W1165 HydrophobicContact CB-CZ3 4.43Å; W1165-D1169 HydrophobicContact CB-CB 3.83Å; W1165-D1169 HydrophobicContact CD2-CB 4.49Å; W1165-D1169 HydrophobicContact CG-CB 3.89Å; W1165-L1170 HydrophobicContact CE3-CB 4.31Å; W1165-L1170 HydrophobicContact CE3-CD1 4.08Å; W1165-L1170 HydrophobicContact CZ3-CD1 4.05Å; W1165-Y1173 AromaticContact CH2-CD1 3.86Å; W1165-Y1173 HydrophobicContact CH2-CD1 3.86Å; W1165-Y1173 HydrophobicContact CH2-CD2 4.04Å; W1165-Y1173 AromaticContact CH2-CG 3.54Å; W1165-Y1173 HydrophobicContact CH2-CG 3.54Å; W1165-Y1173 AromaticContact CZ3-CD1 3.71Å; W1165-Y1173 HydrophobicContact CZ3-CD1 3.71Å; W1165-Y1173 AromaticContact CZ3-CG 3.75Å; W1165-Y1173 HydrophobicContact CZ3-CG 3.75Å; W1165-D1192 WeakPolarHBondContact O-CB 3.43Å; W1165-G1193 PolarHBondContact O-N 2.87Å; W1165-V1225 HydrophobicContact CH2-CG1 4.44Å; W1165-V1225 HydrophobicContact CH2-CG2 4.21Å; W1165-V1225 HydrophobicContact CZ3-CG1 4.31Å; W1165-V1225 HydrophobicContact CZ3-CG2 4.27Å | ||
| 1166 | T | 88.6 | Confident | 86.3 | Confident | 68 Ų | 68 | 56 Ų | 56 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | trans | -69.1 | 169.4 | 165.5 | 73.6 | 0 | 0 | 0 | 0 | 110.6 | F1164 V1168 D1169 L1170 | F1164-T1166 PolarHBondContact O-N 2.83Å; T1166-V1168 PolarHBondContact O-N 3.33Å; T1166-V1168 PolarHBondContact OG1-N 3.35Å; T1166-V1168 VanDerWaalsContact OG1-N 3.17Å; T1166-D1169 VanDerWaalsContact CB-OD2 3.28Å; T1166-D1169 WeakPolarHBondContact CB-OD2 3.34Å; T1166-D1169 WeakPolarHBondContact CG2-OD2 3.4Å; T1166-D1169 PolarHBondContact N-OD2 2.94Å; T1166-D1169 PolarHBondContact O-N 2.91Å; T1166-D1169 PolarHBondContact OG1-N 3.41Å; T1166-D1169 PolarHBondContact OG1-OD2 3.49Å; T1166-L1170 PolarHBondContact O-N 3.35Å | ||
| 1167 | P | 86.3 | Confident | 86.8 | Confident | 39 Ų | 39 | 55.3 Ų | 55.3 | 25% | 0.253 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.5 | -19 | 170 | -25.5 | 35.4 | 0 | 0 | 0 | 114.1 | A1171 V1191 D1192 | P1167-A1171 VanDerWaalsContact O-CB 3.26Å; P1167-A1171 WeakPolarHBondContact O-CB 3.26Å; P1167-A1171 PolarHBondContact O-N 3.13Å; P1167-A1171 VanDerWaalsContact O-N 3.12Å; P1167-V1191 WeakPolarHBondContact CA-O 3.26Å; P1167-V1191 WeakPolarHBondContact CB-O 3.47Å; P1167-D1192 HydrophobicContact CG-CB 4.22Å |
| 1168 | V | 87.6 | Confident | 87.1 | Confident | 108 Ų | 108 | 51.7 Ų | 51.7 | 66% | 0.655 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -79.7 | -38.1 | 175.2 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | T1166 A1171 S1172 | T1166-V1168 PolarHBondContact O-N 3.33Å; T1166-V1168 PolarHBondContact OG1-N 3.35Å; T1166-V1168 VanDerWaalsContact OG1-N 3.17Å; V1168-A1171 WeakPolarHBondContact O-CB 3.3Å; V1168-A1171 PolarHBondContact O-N 2.89Å; V1168-S1172 PolarHBondContact O-N 3.23Å |
| 1169 | D | 88.3 | Confident | 87.1 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.9 | -40.8 | 177.4 | -53.6 | -66.4 | 0 | 0 | 0 | 110.6 | W1165 T1166 A1171 S1172 Y1173 | W1165-D1169 HydrophobicContact CB-CB 3.83Å; W1165-D1169 HydrophobicContact CD2-CB 4.49Å; W1165-D1169 HydrophobicContact CG-CB 3.89Å; T1166-D1169 VanDerWaalsContact CB-OD2 3.28Å; T1166-D1169 WeakPolarHBondContact CB-OD2 3.34Å; T1166-D1169 WeakPolarHBondContact CG2-OD2 3.4Å; T1166-D1169 PolarHBondContact N-OD2 2.94Å; T1166-D1169 PolarHBondContact O-N 2.91Å; T1166-D1169 PolarHBondContact OG1-N 3.41Å; T1166-D1169 PolarHBondContact OG1-OD2 3.49Å; D1169-A1171 VanDerWaalsContact C-N 3.3Å; D1169-A1171 PolarHBondContact O-N 2.71Å; D1169-S1172 WeakPolarHBondContact O-CB 3.44Å; D1169-S1172 PolarHBondContact O-N 3.38Å; D1169-Y1173 PolarHBondContact O-N 3.27Å |
| 1170 | L | 89.6 | Confident | 87.4 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 169.2 | 179.9 | 66.2 | 0 | 0 | 0 | 111.8 | W1165 T1166 S1172 Y1173 L1174 V1191 F1196 | W1165-L1170 HydrophobicContact CE3-CB 4.31Å; W1165-L1170 HydrophobicContact CE3-CD1 4.08Å; W1165-L1170 HydrophobicContact CZ3-CD1 4.05Å; T1166-L1170 PolarHBondContact O-N 3.35Å; L1170-S1172 VanDerWaalsContact C-N 3.34Å; L1170-Y1173 HydrophobicContact CD1-CD1 4.48Å; L1170-Y1173 PolarHBondContact O-N 3Å; L1170-L1174 HydrophobicContact CD1-CD1 3.96Å; L1170-L1174 HydrophobicContact CD1-CG 4.09Å; L1170-L1174 HydrophobicContact CD2-CD1 4.45Å; L1170-L1174 HydrophobicContact CG-CD1 3.94Å; L1170-L1174 HydrophobicContact CG-CG 4.39Å; L1170-L1174 WeakPolarHBondContact O-CB 3.24Å; L1170-L1174 WeakPolarHBondContact O-CG 3.46Å; L1170-L1174 PolarHBondContact O-N 3.37Å; L1170-V1191 HydrophobicContact CD2-CB 4.39Å; L1170-V1191 HydrophobicContact CD2-CG1 3.92Å; L1170-V1191 VanDerWaalsContact CD2-O 3.29Å; L1170-V1191 WeakPolarHBondContact CD2-O 3.34Å; L1170-F1196 HydrophobicContact CD1-CB 3.78Å; L1170-F1196 HydrophobicContact CD1-CD1 3.6Å; L1170-F1196 HydrophobicContact CD1-CD2 3.74Å; L1170-F1196 HydrophobicContact CD1-CE1 4.08Å; L1170-F1196 HydrophobicContact CD1-CE2 4.22Å; L1170-F1196 HydrophobicContact CD1-CG 3.41Å; L1170-F1196 VanDerWaalsContact CD1-CG 3.41Å; L1170-F1196 HydrophobicContact CD1-CZ 4.37Å; L1170-F1196 HydrophobicContact CD2-CB 3.72Å; L1170-F1196 HydrophobicContact CD2-CD2 3.95Å; L1170-F1196 HydrophobicContact CD2-CG 3.99Å; L1170-F1196 HydrophobicContact CG-CB 4.4Å; L1170-F1196 HydrophobicContact CG-CD2 4.42Å; L1170-F1196 HydrophobicContact CG-CG 4.34Å |
| 1171 | A | 86.7 | Confident | 87.3 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 11% | 0.107 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1167 V1168 D1169 G1175 W1183 | P1167-A1171 VanDerWaalsContact O-CB 3.26Å; P1167-A1171 WeakPolarHBondContact O-CB 3.26Å; P1167-A1171 PolarHBondContact O-N 3.13Å; P1167-A1171 VanDerWaalsContact O-N 3.12Å; V1168-A1171 WeakPolarHBondContact O-CB 3.3Å; V1168-A1171 PolarHBondContact O-N 2.89Å; D1169-A1171 VanDerWaalsContact C-N 3.3Å; D1169-A1171 PolarHBondContact O-N 2.71Å; A1171-G1175 WeakPolarHBondContact O-CA 3.29Å; A1171-G1175 PolarHBondContact O-N 3.12Å; A1171-W1183 HydrophobicContact CB-CB 4.42Å; A1171-W1183 HydrophobicContact CB-CD2 3.52Å; A1171-W1183 HydrophobicContact CB-CE3 3.24Å; A1171-W1183 HydrophobicContact CB-CG 4.04Å; A1171-W1183 HydrophobicContact CB-CH2 4.37Å; A1171-W1183 HydrophobicContact CB-CZ3 3.7Å |
| 1172 | S | 87.7 | Confident | 87.1 | Confident | 90 Ų | 90 | 54.3 Ų | 54.3 | 63% | 0.629 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.5 | -49 | 173.9 | -171.5 | 0 | 0 | 0 | 0 | 111 | V1168 D1169 L1170 G1175 S1176 | V1168-S1172 PolarHBondContact O-N 3.23Å; D1169-S1172 WeakPolarHBondContact O-CB 3.44Å; D1169-S1172 PolarHBondContact O-N 3.38Å; L1170-S1172 VanDerWaalsContact C-N 3.34Å; S1172-G1175 PolarHBondContact O-N 3.46Å; S1172-S1176 PolarHBondContact O-N 2.86Å |
| 1173 | Y | 91 | Very high | 86.7 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56 | -60.1 | 174.3 | 172.1 | -115.8 | 0 | 0 | 0 | 111.3 | V1156 L1158 W1165 D1169 L1170 G1175 S1176 T1177 F1196 H1221 V1225 | V1156-Y1173 HydrophobicContact CG1-CE2 3.88Å; L1158-Y1173 HydrophobicContact CD2-CE2 4.45Å; W1165-Y1173 AromaticContact CH2-CD1 3.86Å; W1165-Y1173 HydrophobicContact CH2-CD1 3.86Å; W1165-Y1173 HydrophobicContact CH2-CD2 4.04Å; W1165-Y1173 AromaticContact CH2-CG 3.54Å; W1165-Y1173 HydrophobicContact CH2-CG 3.54Å; W1165-Y1173 AromaticContact CZ3-CD1 3.71Å; W1165-Y1173 HydrophobicContact CZ3-CD1 3.71Å; W1165-Y1173 AromaticContact CZ3-CG 3.75Å; W1165-Y1173 HydrophobicContact CZ3-CG 3.75Å; D1169-Y1173 PolarHBondContact O-N 3.27Å; L1170-Y1173 HydrophobicContact CD1-CD1 4.48Å; L1170-Y1173 PolarHBondContact O-N 3Å; Y1173-G1175 PolarHBondContact O-N 3.2Å; Y1173-S1176 WeakPolarHBondContact O-CB 3.37Å; Y1173-S1176 PolarHBondContact O-N 3.39Å; Y1173-S1176 PolarHBondContact O-OG 3.38Å; Y1173-T1177 HydrophobicContact CD1-CG2 4.43Å; Y1173-T1177 HydrophobicContact CD2-CG2 4.39Å; Y1173-T1177 HydrophobicContact CE1-CG2 3.98Å; Y1173-T1177 HydrophobicContact CE2-CG2 3.92Å; Y1173-T1177 PolarHBondContact O-N 3.01Å; Y1173-F1196 HydrophobicContact CE1-CE1 4.47Å; Y1173-H1221 HydrophobicContact CE1-CB 4.43Å; Y1173-H1221 AromaticContact CZ-ND1 3.77Å; Y1173-H1221 PolarHBondContact OH-ND1 3.25Å; Y1173-V1225 HydrophobicContact CD1-CG2 4.04Å; Y1173-V1225 HydrophobicContact CE1-CG2 3.38Å |
| 1174 | L | 88.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.3 | -29 | -177 | -69.6 | 177 | 0 | 0 | 0 | 112.9 | L1170 S1176 T1177 C1179 R1180 W1183 L1186 F1196 L1218 H1221 | L1170-L1174 HydrophobicContact CD1-CD1 3.96Å; L1170-L1174 HydrophobicContact CD1-CG 4.09Å; L1170-L1174 HydrophobicContact CD2-CD1 4.45Å; L1170-L1174 HydrophobicContact CG-CD1 3.94Å; L1170-L1174 HydrophobicContact CG-CG 4.39Å; L1170-L1174 WeakPolarHBondContact O-CB 3.24Å; L1170-L1174 WeakPolarHBondContact O-CG 3.46Å; L1170-L1174 PolarHBondContact O-N 3.37Å; L1174-S1176 PolarHBondContact O-N 3.31Å; L1174-T1177 WeakPolarHBondContact CA-OG1 3.44Å; L1174-T1177 HydrophobicContact CD2-CG2 4.35Å; L1174-T1177 PolarHBondContact O-N 3.17Å; L1174-T1177 PolarHBondContact O-OG1 3.19Å; L1174-C1179 HydrophobicContact CD2-CB 4.25Å; L1174-R1180 VanDerWaalsContact O-CA 3.23Å; L1174-R1180 WeakPolarHBondContact O-CA 3.44Å; L1174-R1180 WeakPolarHBondContact O-CB 3.49Å; L1174-R1180 PolarHBondContact O-N 3.24Å; L1174-W1183 HydrophobicContact CB-CB 3.97Å; L1174-W1183 HydrophobicContact CD1-CB 4.26Å; L1174-L1186 HydrophobicContact CD1-CD1 3.3Å; L1174-F1196 HydrophobicContact CD1-CE2 4.01Å; L1174-F1196 HydrophobicContact CD1-CZ 4.48Å; L1174-F1196 HydrophobicContact CD2-CE2 4.19Å; L1174-F1196 HydrophobicContact CD2-CZ 3.89Å; L1174-L1218 HydrophobicContact CD1-CD1 4.36Å; L1174-L1218 HydrophobicContact CD2-CD1 4.07Å; L1174-H1221 HydrophobicContact CD2-CB 4.48Å |
| 1175 | G | 85.9 | Confident | 86 | Confident | 37 Ų | 37 | 49.3 Ų | 49.3 | 38% | 0.381 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.2 | -28.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | A1171 S1172 Y1173 | A1171-G1175 WeakPolarHBondContact O-CA 3.29Å; A1171-G1175 PolarHBondContact O-N 3.12Å; S1172-G1175 PolarHBondContact O-N 3.46Å; Y1173-G1175 PolarHBondContact O-N 3.2Å |
| 1176 | S | 82.3 | Confident | 85.5 | Confident | 97 Ų | 97 | 49 Ų | 49 | 68% | 0.678 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -86.4 | -16.9 | 173.5 | 75.8 | 0 | 0 | 0 | 0 | 113.9 | S1172 Y1173 L1174 | S1172-S1176 PolarHBondContact O-N 2.86Å; Y1173-S1176 WeakPolarHBondContact O-CB 3.37Å; Y1173-S1176 PolarHBondContact O-N 3.39Å; Y1173-S1176 PolarHBondContact O-OG 3.38Å; L1174-S1176 PolarHBondContact O-N 3.31Å |
| 1177 | T | 87.5 | Confident | 84.8 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -85.7 | 173.2 | -179.9 | 71 | 0 | 0 | 0 | 0 | 112.5 | Y1173 L1174 C1179 H1221 | Y1173-T1177 HydrophobicContact CD1-CG2 4.43Å; Y1173-T1177 HydrophobicContact CD2-CG2 4.39Å; Y1173-T1177 HydrophobicContact CE1-CG2 3.98Å; Y1173-T1177 HydrophobicContact CE2-CG2 3.92Å; Y1173-T1177 PolarHBondContact O-N 3.01Å; L1174-T1177 WeakPolarHBondContact CA-OG1 3.44Å; L1174-T1177 HydrophobicContact CD2-CG2 4.35Å; L1174-T1177 PolarHBondContact O-N 3.17Å; L1174-T1177 PolarHBondContact O-OG1 3.19Å; T1177-C1179 PolarHBondContact O-N 3.02Å; T1177-C1179 PolarHBondContact OG1-N 2.84Å; T1177-C1179 VanDerWaalsContact OG1-N 3.12Å; T1177-H1221 WeakPolarHBondContact CG2-CE1 3.41Å; T1177-H1221 WeakPolarHBondContact CG2-ND1 3.47Å |
| 1178 | D | 87 | Confident | 84.1 | Confident | 75 Ų | 75 | 49.3 Ų | 49.3 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -65.7 | -26.5 | 168.9 | 87.8 | -42.3 | 0 | 0 | 0 | 111.9 | R1180 R1217 H1221 | D1178-R1180 PolarHBondContact O-N 2.95Å; D1178-R1217 VanDerWaalsContact C-NH2 3.35Å; D1178-R1217 PolarHBondContact O-NH2 2.71Å; D1178-R1217 IonicContact OD2-CZ 3.65Å; D1178-R1217 IonicContact OD2-NE 2.67Å; D1178-R1217 PolarHBondContact OD2-NE 2.68Å; D1178-R1217 IonicContact OD2-NH2 3.17Å; D1178-R1217 PolarHBondContact OD2-NH2 3.33Å; D1178-H1221 IonicContact OD1-CD2 2.67Å; D1178-H1221 IonicContact OD1-NE2 2.85Å; D1178-H1221 PolarHBondContact OD1-NE2 2.96Å |
| 1179 | C | 86.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -79.1 | 13.3 | -178.1 | -69.7 | 0 | 0 | 0 | 0 | 115 | L1174 T1177 E1181 M1182 L1218 | L1174-C1179 HydrophobicContact CD2-CB 4.25Å; T1177-C1179 PolarHBondContact O-N 3.02Å; T1177-C1179 PolarHBondContact OG1-N 2.84Å; T1177-C1179 VanDerWaalsContact OG1-N 3.12Å; C1179-E1181 PolarHBondContact O-N 3Å; C1179-E1181 VanDerWaalsContact O-N 3.11Å; C1179-M1182 HydrophobicContact CB-CE 4.11Å; C1179-M1182 HydrophobicContact CB-SD 4.38Å; C1179-M1182 WeakPolarHBondContact O-CB 3.28Å; C1179-M1182 PolarHBondContact O-N 2.85Å; C1179-L1218 HydrophobicContact CB-CD1 3.77Å; C1179-L1218 PolarHBondContact SG-N 3.11Å |
| 1180 | R | 86.6 | Confident | 83.2 | Confident | 161 Ų | 161 | 48.1 Ų | 48.1 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -52.9 | -30.6 | -178.6 | 65.1 | -174.4 | -176 | 176.7 | -0.2 | 114.9 | L1174 D1178 M1182 | L1174-R1180 VanDerWaalsContact O-CA 3.23Å; L1174-R1180 WeakPolarHBondContact O-CA 3.44Å; L1174-R1180 WeakPolarHBondContact O-CB 3.49Å; L1174-R1180 PolarHBondContact O-N 3.24Å; D1178-R1180 PolarHBondContact O-N 2.95Å; R1180-M1182 PolarHBondContact O-N 2.7Å |
| 1181 | E | 83.7 | Confident | 83 | Confident | 98 Ų | 98 | 48.8 Ų | 48.8 | 46% | 0.458 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -69.6 | -13.4 | 175 | 59.9 | -83.6 | -177.8 | 0 | 0 | 114.3 | C1179 R1217 | C1179-E1181 PolarHBondContact O-N 3Å; C1179-E1181 VanDerWaalsContact O-N 3.11Å; E1181-R1217 IonicContact OE1-CZ 3.89Å; E1181-R1217 VanDerWaalsContact OE1-CZ 3.25Å; E1181-R1217 IonicContact OE1-NH1 3.56Å; E1181-R1217 PolarHBondContact OE1-NH1 3.26Å; E1181-R1217 IonicContact OE1-NH2 2.71Å; E1181-R1217 PolarHBondContact OE1-NH2 3.5Å |
| 1182 | M | 83.2 | Confident | 83.1 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -22.1 | -178 | -47.8 | -170.5 | -150.2 | 0 | 0 | 112.8 | C1179 R1180 P1184 W1185 L1186 L1210 D1214 R1217 L1218 | C1179-M1182 HydrophobicContact CB-CE 4.11Å; C1179-M1182 HydrophobicContact CB-SD 4.38Å; C1179-M1182 WeakPolarHBondContact O-CB 3.28Å; C1179-M1182 PolarHBondContact O-N 2.85Å; R1180-M1182 PolarHBondContact O-N 2.7Å; M1182-P1184 VanDerWaalsContact C-CD 3.44Å; M1182-W1185 PolarHBondContact O-N 3.48Å; M1182-W1185 VanDerWaalsContact O-N 3.14Å; M1182-L1186 PolarHBondContact O-N 3.01Å; M1182-L1186 VanDerWaalsContact O-N 3.11Å; M1182-L1210 HydrophobicContact SD-CD1 4.38Å; M1182-L1210 HydrophobicContact SD-CD2 4.41Å; M1182-D1214 HydrophobicContact CE-CB 3.73Å; M1182-D1214 WeakPolarHBondContact CE-O 3.28Å; M1182-D1214 HydrophobicContact SD-CB 4.19Å; M1182-R1217 HydrophobicContact CE-CB 4.31Å; M1182-L1218 HydrophobicContact CB-CD1 4.44Å; M1182-L1218 HydrophobicContact CB-CD2 4.5Å; M1182-L1218 HydrophobicContact SD-CB 3.83Å; M1182-L1218 HydrophobicContact SD-CD1 4.15Å; M1182-L1218 HydrophobicContact SD-CD2 3.98Å; M1182-L1218 HydrophobicContact SD-CG 4.22Å |
| 1183 | W | 81.1 | Confident | 83.2 | Confident | 81 Ų | 81 | 46.6 Ų | 46.6 | 31% | 0.307 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.4 | -42 | 178.9 | 98.8 | -113 | 0 | 0 | 0 | 113.5 | A1171 L1174 W1185 L1186 A1187 | A1171-W1183 HydrophobicContact CB-CB 4.42Å; A1171-W1183 HydrophobicContact CB-CD2 3.52Å; A1171-W1183 HydrophobicContact CB-CE3 3.24Å; A1171-W1183 HydrophobicContact CB-CG 4.04Å; A1171-W1183 HydrophobicContact CB-CH2 4.37Å; A1171-W1183 HydrophobicContact CB-CZ3 3.7Å; L1174-W1183 HydrophobicContact CB-CB 3.97Å; L1174-W1183 HydrophobicContact CD1-CB 4.26Å; W1183-W1185 PolarHBondContact O-N 3.42Å; W1183-L1186 PolarHBondContact O-N 3.27Å; W1183-L1186 VanDerWaalsContact O-N 3.12Å; W1183-A1187 HydrophobicContact CE3-CB 3.59Å; W1183-A1187 HydrophobicContact CZ3-CB 3.47Å; W1183-A1187 VanDerWaalsContact CZ3-CB 3.47Å; W1183-A1187 PolarHBondContact O-N 2.94Å |
| 1184 | P | 76.8 | Confident | 83 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.1 | -23.8 | -177.8 | -20.7 | 34.1 | 0 | 0 | 0 | 113 | M1182 A1188 | M1182-P1184 VanDerWaalsContact C-CD 3.44Å; P1184-A1188 WeakPolarHBondContact O-CB 3.41Å; P1184-A1188 PolarHBondContact O-N 3Å |
| 1185 | W | 80.2 | Confident | 82.9 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -76.6 | -47.7 | 170.9 | 160.9 | 60.1 | 0 | 0 | 0 | 110.8 | N972 M1182 W1183 A1187 A1188 E1189 L1204 V1208 L1210 L1218 | N972-W1185 VanDerWaalsContact CG-NE1 3.26Å; N972-W1185 VanDerWaalsContact ND2-CZ2 3.33Å; N972-W1185 WeakPolarHBondContact ND2-CZ2 2.91Å; N972-W1185 PolarHBondContact ND2-NE1 3.39Å; N972-W1185 PolarHBondContact OD1-NE1 3.16Å; M1182-W1185 PolarHBondContact O-N 3.48Å; M1182-W1185 VanDerWaalsContact O-N 3.14Å; W1183-W1185 PolarHBondContact O-N 3.42Å; W1185-A1187 VanDerWaalsContact C-N 3.31Å; W1185-A1187 PolarHBondContact O-N 3.32Å; W1185-A1188 WeakPolarHBondContact O-CB 3.26Å; W1185-A1188 PolarHBondContact O-N 3.4Å; W1185-A1188 VanDerWaalsContact O-N 3.09Å; W1185-E1189 HydrophobicContact CZ2-CG 4.29Å; W1185-E1189 VanDerWaalsContact NE1-CG 3.34Å; W1185-E1189 PolarHBondContact O-N 2.97Å; W1185-E1189 VanDerWaalsContact O-N 3.09Å; W1185-L1204 HydrophobicContact CH2-CD2 4.45Å; W1185-V1208 HydrophobicContact CH2-CB 4.19Å; W1185-V1208 HydrophobicContact CH2-CG1 3.28Å; W1185-V1208 HydrophobicContact CH2-CG2 3.79Å; W1185-V1208 HydrophobicContact CZ2-CB 4.35Å; W1185-V1208 HydrophobicContact CZ2-CG1 3.62Å; W1185-V1208 HydrophobicContact CZ2-CG2 3.89Å; W1185-V1208 HydrophobicContact CZ3-CG1 3.87Å; W1185-L1210 HydrophobicContact CZ3-CD1 3.99Å; W1185-L1218 HydrophobicContact CZ3-CD2 4.14Å |
| 1186 | L | 80.8 | Confident | 83.2 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.6 | -43.2 | 176.8 | -71.6 | 166.8 | 0 | 0 | 0 | 112.2 | L1174 M1182 W1183 E1189 A1190 V1191 F1196 L1199 L1218 | L1174-L1186 HydrophobicContact CD1-CD1 3.3Å; M1182-L1186 PolarHBondContact O-N 3.01Å; M1182-L1186 VanDerWaalsContact O-N 3.11Å; W1183-L1186 PolarHBondContact O-N 3.27Å; W1183-L1186 VanDerWaalsContact O-N 3.12Å; L1186-E1189 CarbonylContact O-C 3.45Å; L1186-E1189 PolarHBondContact O-N 3.14Å; L1186-A1190 PolarHBondContact O-N 3.2Å; L1186-A1190 VanDerWaalsContact O-N 3.12Å; L1186-V1191 HydrophobicContact CB-CB 4.16Å; L1186-V1191 HydrophobicContact CB-CG2 4.49Å; L1186-V1191 HydrophobicContact CD2-CB 4.09Å; L1186-V1191 HydrophobicContact CD2-CG1 4.08Å; L1186-V1191 HydrophobicContact CD2-CG2 3.93Å; L1186-V1191 WeakPolarHBondContact O-CB 3.26Å; L1186-V1191 WeakPolarHBondContact O-CG2 3.33Å; L1186-V1191 PolarHBondContact O-N 3.19Å; L1186-F1196 HydrophobicContact CD1-CD2 4.21Å; L1186-F1196 HydrophobicContact CD1-CE2 4.18Å; L1186-L1199 HydrophobicContact CD2-CD1 3.98Å; L1186-L1218 HydrophobicContact CD1-CD1 4.25Å; L1186-L1218 HydrophobicContact CD1-CD2 4.2Å |
| 1187 | A | 73 | Confident | 83.6 | Confident | 33 Ų | 33 | 45.6 Ų | 45.6 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.7 | -27.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | W1183 W1185 E1189 A1190 | W1183-A1187 HydrophobicContact CE3-CB 3.59Å; W1183-A1187 HydrophobicContact CZ3-CB 3.47Å; W1183-A1187 VanDerWaalsContact CZ3-CB 3.47Å; W1183-A1187 PolarHBondContact O-N 2.94Å; W1185-A1187 VanDerWaalsContact C-N 3.31Å; W1185-A1187 PolarHBondContact O-N 3.32Å; A1187-E1189 VanDerWaalsContact C-N 3.31Å; A1187-A1190 PolarHBondContact O-N 3.07Å; A1187-A1190 VanDerWaalsContact O-N 3.09Å |
| 1188 | A | 72 | Confident | 83.6 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 66% | 0.661 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -69.2 | -31 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1184 W1185 A1190 | P1184-A1188 WeakPolarHBondContact O-CB 3.41Å; P1184-A1188 PolarHBondContact O-N 3Å; W1185-A1188 WeakPolarHBondContact O-CB 3.26Å; W1185-A1188 PolarHBondContact O-N 3.4Å; W1185-A1188 VanDerWaalsContact O-N 3.09Å; A1188-A1190 VanDerWaalsContact C-N 3.26Å |
| 1189 | E | 78 | Confident | 83.5 | Confident | 84 Ų | 84 | 48.1 Ų | 48.1 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 6.4 | 169.4 | -59.1 | -64.9 | 131.4 | 0 | 0 | 112.8 | Q971 W1185 L1186 A1187 V1191 | Q971-E1189 PolarHBondContact NE2-OE2 3.35Å; W1185-E1189 HydrophobicContact CZ2-CG 4.29Å; W1185-E1189 VanDerWaalsContact NE1-CG 3.34Å; W1185-E1189 PolarHBondContact O-N 2.97Å; W1185-E1189 VanDerWaalsContact O-N 3.09Å; L1186-E1189 CarbonylContact O-C 3.45Å; L1186-E1189 PolarHBondContact O-N 3.14Å; A1187-E1189 VanDerWaalsContact C-N 3.31Å; E1189-V1191 VanDerWaalsContact C-N 3.27Å; E1189-V1191 HydrophobicContact CB-CG2 4.11Å; E1189-V1191 PolarHBondContact O-N 2.84Å |
| 1190 | A | 79.3 | Confident | 83.5 | Confident | 66 Ų | 66 | 50.8 Ų | 50.8 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 32.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1186 A1187 A1188 D1192 | L1186-A1190 PolarHBondContact O-N 3.2Å; L1186-A1190 VanDerWaalsContact O-N 3.12Å; A1187-A1190 PolarHBondContact O-N 3.07Å; A1187-A1190 VanDerWaalsContact O-N 3.09Å; A1188-A1190 VanDerWaalsContact C-N 3.26Å; A1190-D1192 PolarHBondContact O-N 3.07Å |
| 1191 | V | 84.6 | Confident | 83.2 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.109 | 25% | 0.253 | C | S | . | . | trans | -67.7 | 115.4 | 178 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | P1167 L1170 L1186 E1189 A1195 F1196 | P1167-V1191 WeakPolarHBondContact CA-O 3.26Å; P1167-V1191 WeakPolarHBondContact CB-O 3.47Å; L1170-V1191 HydrophobicContact CD2-CB 4.39Å; L1170-V1191 HydrophobicContact CD2-CG1 3.92Å; L1170-V1191 VanDerWaalsContact CD2-O 3.29Å; L1170-V1191 WeakPolarHBondContact CD2-O 3.34Å; L1186-V1191 HydrophobicContact CB-CB 4.16Å; L1186-V1191 HydrophobicContact CB-CG2 4.49Å; L1186-V1191 HydrophobicContact CD2-CB 4.09Å; L1186-V1191 HydrophobicContact CD2-CG1 4.08Å; L1186-V1191 HydrophobicContact CD2-CG2 3.93Å; L1186-V1191 WeakPolarHBondContact O-CB 3.26Å; L1186-V1191 WeakPolarHBondContact O-CG2 3.33Å; L1186-V1191 PolarHBondContact O-N 3.19Å; E1189-V1191 VanDerWaalsContact C-N 3.27Å; E1189-V1191 HydrophobicContact CB-CG2 4.11Å; E1189-V1191 PolarHBondContact O-N 2.84Å; V1191-A1195 HydrophobicContact CB-CB 4.5Å; V1191-A1195 HydrophobicContact CG1-CB 3.81Å; V1191-F1196 HydrophobicContact CG1-CB 4Å | ||
| 1192 | D | 90.2 | Very high | 82.8 | Confident | 56 Ų | 56 | 42 Ų | 42 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | trans | -87.6 | -176.7 | 170.3 | 63.1 | 36 | 0 | 0 | 0 | 111.5 | W1165 P1167 A1190 Q1194 A1195 F1196 | W1165-D1192 WeakPolarHBondContact O-CB 3.43Å; P1167-D1192 HydrophobicContact CG-CB 4.22Å; A1190-D1192 PolarHBondContact O-N 3.07Å; D1192-Q1194 PolarHBondContact O-N 2.89Å; D1192-Q1194 WeakPolarHBondContact OD1-CA 3.15Å; D1192-Q1194 WeakPolarHBondContact OD1-CB 3.39Å; D1192-Q1194 PolarHBondContact OD1-N 3.03Å; D1192-A1195 WeakPolarHBondContact OD1-CB 3.46Å; D1192-A1195 PolarHBondContact OD1-N 3.34Å; D1192-F1196 VanDerWaalsContact O-CB 3.26Å; D1192-F1196 WeakPolarHBondContact O-CB 3.4Å; D1192-F1196 PolarHBondContact O-N 3.13Å | ||
| 1193 | G | 88.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.4 | -30.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1162 W1165 M1197 | P1162-G1193 CarbonylContact O-C 3.5Å; P1162-G1193 VanDerWaalsContact O-C 3.28Å; P1162-G1193 VanDerWaalsContact O-CA 3.26Å; P1162-G1193 WeakPolarHBondContact O-CA 3.39Å; W1165-G1193 PolarHBondContact O-N 2.87Å; G1193-M1197 WeakPolarHBondContact O-CG 3.47Å; G1193-M1197 PolarHBondContact O-N 3.05Å |
| 1194 | Q | 86.4 | Confident | 82.4 | Confident | 88 Ų | 88 | 38.3 Ų | 38.3 | 41% | 0.411 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.1 | -51.8 | 175 | -58.3 | -172.1 | 16.3 | 0 | 0 | 109.9 | M1163 D1192 F1196 M1197 L1198 | M1163-Q1194 HydrophobicContact CE-CG 3.92Å; M1163-Q1194 VanDerWaalsContact O-CG 3.29Å; M1163-Q1194 WeakPolarHBondContact O-CG 3.38Å; M1163-Q1194 PolarHBondContact O-NE2 2.98Å; M1163-Q1194 HydrophobicContact SD-CG 4.02Å; D1192-Q1194 PolarHBondContact O-N 2.89Å; D1192-Q1194 WeakPolarHBondContact OD1-CA 3.15Å; D1192-Q1194 WeakPolarHBondContact OD1-CB 3.39Å; D1192-Q1194 PolarHBondContact OD1-N 3.03Å; Q1194-F1196 VanDerWaalsContact C-N 3.29Å; Q1194-F1196 PolarHBondContact O-N 2.8Å; Q1194-M1197 PolarHBondContact O-N 3.32Å; Q1194-L1198 WeakPolarHBondContact O-CG 3.48Å; Q1194-L1198 PolarHBondContact O-N 2.95Å |
| 1195 | A | 88.5 | Confident | 82.4 | Confident | 35 Ų | 35 | 40.1 Ų | 40.1 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.3 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1191 D1192 L1198 L1199 | V1191-A1195 HydrophobicContact CB-CB 4.5Å; V1191-A1195 HydrophobicContact CG1-CB 3.81Å; D1192-A1195 WeakPolarHBondContact OD1-CB 3.46Å; D1192-A1195 PolarHBondContact OD1-N 3.34Å; A1195-L1198 PolarHBondContact O-N 3.05Å; A1195-L1199 WeakPolarHBondContact O-CG 3.23Å; A1195-L1199 PolarHBondContact O-N 3.01Å |
| 1196 | F | 91.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 173.9 | -176.1 | -106.3 | 0 | 0 | 0 | 112 | L1170 Y1173 L1174 L1186 V1191 D1192 Q1194 L1198 L1199 L1218 H1221 V1222 V1225 | L1170-F1196 HydrophobicContact CD1-CB 3.78Å; L1170-F1196 HydrophobicContact CD1-CD1 3.6Å; L1170-F1196 HydrophobicContact CD1-CD2 3.74Å; L1170-F1196 HydrophobicContact CD1-CE1 4.08Å; L1170-F1196 HydrophobicContact CD1-CE2 4.22Å; L1170-F1196 HydrophobicContact CD1-CG 3.41Å; L1170-F1196 VanDerWaalsContact CD1-CG 3.41Å; L1170-F1196 HydrophobicContact CD1-CZ 4.37Å; L1170-F1196 HydrophobicContact CD2-CB 3.72Å; L1170-F1196 HydrophobicContact CD2-CD2 3.95Å; L1170-F1196 HydrophobicContact CD2-CG 3.99Å; L1170-F1196 HydrophobicContact CG-CB 4.4Å; L1170-F1196 HydrophobicContact CG-CD2 4.42Å; L1170-F1196 HydrophobicContact CG-CG 4.34Å; Y1173-F1196 HydrophobicContact CE1-CE1 4.47Å; L1174-F1196 HydrophobicContact CD1-CE2 4.01Å; L1174-F1196 HydrophobicContact CD1-CZ 4.48Å; L1174-F1196 HydrophobicContact CD2-CE2 4.19Å; L1174-F1196 HydrophobicContact CD2-CZ 3.89Å; L1186-F1196 HydrophobicContact CD1-CD2 4.21Å; L1186-F1196 HydrophobicContact CD1-CE2 4.18Å; V1191-F1196 HydrophobicContact CG1-CB 4Å; D1192-F1196 VanDerWaalsContact O-CB 3.26Å; D1192-F1196 WeakPolarHBondContact O-CB 3.4Å; D1192-F1196 PolarHBondContact O-N 3.13Å; Q1194-F1196 VanDerWaalsContact C-N 3.29Å; Q1194-F1196 PolarHBondContact O-N 2.8Å; F1196-L1198 VanDerWaalsContact C-N 3.25Å; F1196-L1198 PolarHBondContact O-N 3.06Å; F1196-L1199 HydrophobicContact CD2-CD1 3.71Å; F1196-L1199 HydrophobicContact CE2-CD1 4.27Å; F1196-L1199 HydrophobicContact CG-CD1 4.46Å; F1196-L1199 VanDerWaalsContact O-CB 3.29Å; F1196-L1199 WeakPolarHBondContact O-CB 3.33Å; F1196-L1199 WeakPolarHBondContact O-CG 3.41Å; F1196-L1199 PolarHBondContact O-N 2.82Å; F1196-L1199 VanDerWaalsContact O-N 3.11Å; F1196-L1218 HydrophobicContact CE2-CD1 3.8Å; F1196-L1218 HydrophobicContact CE2-CG 4.12Å; F1196-L1218 HydrophobicContact CZ-CD1 4.21Å; F1196-H1221 HydrophobicContact CZ-CB 4.21Å; F1196-V1222 HydrophobicContact CD1-CG2 4.15Å; F1196-V1222 HydrophobicContact CD2-CG2 4.04Å; F1196-V1222 HydrophobicContact CE1-CB 4.28Å; F1196-V1222 HydrophobicContact CE1-CG2 3.71Å; F1196-V1222 HydrophobicContact CE2-CG2 3.58Å; F1196-V1222 HydrophobicContact CG-CG2 4.3Å; F1196-V1222 HydrophobicContact CZ-CB 4.33Å; F1196-V1222 HydrophobicContact CZ-CG2 3.4Å; F1196-V1222 WeakPolarHBondContact O-CG1 3.47Å; F1196-V1222 WeakPolarHBondContact O-CG2 3.3Å; F1196-V1225 HydrophobicContact CD1-CB 4.45Å; F1196-V1225 HydrophobicContact CD1-CG1 4.49Å; F1196-V1225 HydrophobicContact CD1-CG2 4.44Å; F1196-V1225 HydrophobicContact CE1-CB 4.24Å; F1196-V1225 HydrophobicContact CE1-CG2 3.95Å |
| 1197 | M | 90 | Very high | 80.5 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.059 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -35.7 | 174.1 | -75.4 | -168.6 | -68.5 | 0 | 0 | 111.8 | P1162 M1163 G1193 Q1194 L1199 V1225 K1226 F1229 | P1162-M1197 HydrophobicContact CB-CE 3.9Å; P1162-M1197 HydrophobicContact CB-SD 4.09Å; P1162-M1197 HydrophobicContact CG-CE 3.85Å; P1162-M1197 HydrophobicContact CG-SD 3.75Å; M1163-M1197 HydrophobicContact CG-CE 3.98Å; M1163-M1197 HydrophobicContact SD-CE 3.51Å; M1163-M1197 VanDerWaalsContact SD-CE 3.51Å; G1193-M1197 WeakPolarHBondContact O-CG 3.47Å; G1193-M1197 PolarHBondContact O-N 3.05Å; Q1194-M1197 PolarHBondContact O-N 3.32Å; M1197-L1199 PolarHBondContact O-N 3.12Å; M1197-V1225 HydrophobicContact CG-CG1 3.74Å; M1197-V1225 HydrophobicContact SD-CG1 4.03Å; M1197-K1226 HydrophobicContact CB-CG 4.19Å; M1197-K1226 HydrophobicContact CG-CG 4.2Å; M1197-K1226 WeakPolarHBondContact O-CE 3.33Å; M1197-K1226 PolarHBondContact O-NZ 2.96Å; M1197-K1226 HydrophobicContact SD-CG 4.46Å; M1197-F1229 HydrophobicContact CE-CG 4.4Å; M1197-F1229 HydrophobicContact SD-CB 3.82Å; M1197-F1229 HydrophobicContact SD-CD1 4.26Å; M1197-F1229 HydrophobicContact SD-CG 3.99Å |
| 1198 | L | 88.1 | Confident | 80.2 | Confident | 127 Ų | 127 | 46 Ų | 46 | 67% | 0.665 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -70.2 | -10.1 | 177.2 | -69.9 | 172.5 | 0 | 0 | 0 | 114.7 | Q1194 A1195 F1196 | Q1194-L1198 WeakPolarHBondContact O-CG 3.48Å; Q1194-L1198 PolarHBondContact O-N 2.95Å; A1195-L1198 PolarHBondContact O-N 3.05Å; F1196-L1198 VanDerWaalsContact C-N 3.25Å; F1196-L1198 PolarHBondContact O-N 3.06Å |
| 1199 | L | 85.6 | Confident | 80.2 | Confident | 17 Ų | 17 | 44.4 Ų | 44.4 | 9% | 0.089 | 25% | 0.25 | C | C | . | . | trans | -64.9 | 155.7 | 172.2 | -58.9 | 169.8 | 0 | 0 | 0 | 111.4 | L1186 A1195 F1196 M1197 V1203 L1204 V1222 K1226 | L1186-L1199 HydrophobicContact CD2-CD1 3.98Å; A1195-L1199 WeakPolarHBondContact O-CG 3.23Å; A1195-L1199 PolarHBondContact O-N 3.01Å; F1196-L1199 HydrophobicContact CD2-CD1 3.71Å; F1196-L1199 HydrophobicContact CE2-CD1 4.27Å; F1196-L1199 HydrophobicContact CG-CD1 4.46Å; F1196-L1199 VanDerWaalsContact O-CB 3.29Å; F1196-L1199 WeakPolarHBondContact O-CB 3.33Å; F1196-L1199 WeakPolarHBondContact O-CG 3.41Å; F1196-L1199 PolarHBondContact O-N 2.82Å; F1196-L1199 VanDerWaalsContact O-N 3.11Å; M1197-L1199 PolarHBondContact O-N 3.12Å; L1199-V1203 HydrophobicContact CD2-CG1 3.87Å; L1199-L1204 HydrophobicContact CB-CD1 4.47Å; L1199-L1204 HydrophobicContact CB-CD2 4.33Å; L1199-L1204 HydrophobicContact CB-CG 4.34Å; L1199-L1204 HydrophobicContact CD1-CD2 4.05Å; L1199-L1204 HydrophobicContact CD2-CD2 4.23Å; L1199-L1204 HydrophobicContact CG-CD2 4.41Å; L1199-V1222 HydrophobicContact CB-CG1 4.33Å; L1199-V1222 HydrophobicContact CB-CG2 3.95Å; L1199-V1222 HydrophobicContact CD1-CG2 4.35Å; L1199-V1222 WeakPolarHBondContact O-CG1 3.31Å; L1199-K1226 PolarHBondContact O-NZ 3.42Å | ||
| 1200 | T | 85 | Confident | 80.1 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 34% | 0.344 | 24% | 0.239 | S | C | . | . | trans | -147.4 | 161.9 | 175.7 | 65.1 | 0 | 0 | 0 | 0 | 109.5 | V1203 L1204 | T1200-V1203 CarbonylContact O-C 3.56Å; T1200-V1203 WeakPolarHBondContact O-CA 3.43Å; T1200-V1203 WeakPolarHBondContact O-CB 3.45Å; T1200-V1203 PolarHBondContact O-N 2.96Å; T1200-V1203 WeakPolarHBondContact OG1-CB 3.38Å; T1200-V1203 WeakPolarHBondContact OG1-CG2 3.38Å; T1200-V1203 PolarHBondContact OG1-N 2.92Å; T1200-L1204 WeakPolarHBondContact O-CG 3.21Å; T1200-L1204 PolarHBondContact O-N 3.46Å | ||
| 1201 | L | 80.7 | Confident | 80.1 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.8 | -43 | -179.5 | -180 | 58.6 | 0 | 0 | 0 | 113.9 | V1203 L1204 H1205 W1212 A1215 V1216 A1219 | L1201-V1203 VanDerWaalsContact C-N 3.33Å; L1201-V1203 PolarHBondContact O-N 2.92Å; L1201-L1204 PolarHBondContact O-N 2.77Å; L1201-H1205 PolarHBondContact O-N 2.81Å; L1201-H1205 VanDerWaalsContact O-N 3.07Å; L1201-W1212 HydrophobicContact CD1-CZ3 4.5Å; L1201-W1212 HydrophobicContact CD2-CH2 3.8Å; L1201-W1212 HydrophobicContact CD2-CZ2 4.12Å; L1201-W1212 HydrophobicContact CD2-CZ3 4.38Å; L1201-W1212 HydrophobicContact CG-CH2 4.24Å; L1201-W1212 HydrophobicContact CG-CZ3 4.33Å; L1201-A1215 HydrophobicContact CD1-CB 3.78Å; L1201-V1216 HydrophobicContact CD1-CB 4.42Å; L1201-V1216 HydrophobicContact CD1-CG2 3.72Å; L1201-V1216 HydrophobicContact CD2-CG2 4Å; L1201-A1219 HydrophobicContact CB-CB 3.98Å; L1201-A1219 HydrophobicContact CD1-CB 4.24Å |
| 1202 | P | 75.2 | Confident | 79.8 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 171.9 | -23.9 | 35 | 0 | 0 | 0 | 113.4 | L1204 H1205 R1206 | P1202-L1204 VanDerWaalsContact C-N 3.28Å; P1202-L1204 PolarHBondContact O-N 3.35Å; P1202-H1205 PolarHBondContact O-N 3.46Å; P1202-R1206 PolarHBondContact O-N 2.67Å |
| 1203 | V | 76.8 | Confident | 79.5 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.3 | -28.6 | 177 | 167.2 | 0 | 0 | 0 | 0 | 112 | L1199 T1200 L1201 L1207 V1208 | L1199-V1203 HydrophobicContact CD2-CG1 3.87Å; T1200-V1203 CarbonylContact O-C 3.56Å; T1200-V1203 WeakPolarHBondContact O-CA 3.43Å; T1200-V1203 WeakPolarHBondContact O-CB 3.45Å; T1200-V1203 PolarHBondContact O-N 2.96Å; T1200-V1203 WeakPolarHBondContact OG1-CB 3.38Å; T1200-V1203 WeakPolarHBondContact OG1-CG2 3.38Å; T1200-V1203 PolarHBondContact OG1-N 2.92Å; L1201-V1203 VanDerWaalsContact C-N 3.33Å; L1201-V1203 PolarHBondContact O-N 2.92Å; V1203-L1207 HydrophobicContact CB-CD1 4.08Å; V1203-L1207 HydrophobicContact CG1-CD1 4.15Å; V1203-L1207 HydrophobicContact CG2-CD1 3.8Å; V1203-L1207 CarbonylContact O-C 3.58Å; V1203-L1207 WeakPolarHBondContact O-CB 3.4Å; V1203-L1207 VanDerWaalsContact O-O 3.12Å; V1203-V1208 VanDerWaalsContact O-CB 3.22Å; V1203-V1208 WeakPolarHBondContact O-CB 3.31Å; V1203-V1208 WeakPolarHBondContact O-CG2 3.31Å |
| 1204 | L | 80.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -85.1 | -27.2 | 178.7 | -71.2 | 172.8 | 0 | 0 | 0 | 113.8 | W1185 L1199 T1200 L1201 P1202 L1207 V1208 L1210 A1215 L1218 A1219 | W1185-L1204 HydrophobicContact CH2-CD2 4.45Å; L1199-L1204 HydrophobicContact CB-CD1 4.47Å; L1199-L1204 HydrophobicContact CB-CD2 4.33Å; L1199-L1204 HydrophobicContact CB-CG 4.34Å; L1199-L1204 HydrophobicContact CD1-CD2 4.05Å; L1199-L1204 HydrophobicContact CD2-CD2 4.23Å; L1199-L1204 HydrophobicContact CG-CD2 4.41Å; T1200-L1204 WeakPolarHBondContact O-CG 3.21Å; T1200-L1204 PolarHBondContact O-N 3.46Å; L1201-L1204 PolarHBondContact O-N 2.77Å; P1202-L1204 VanDerWaalsContact C-N 3.28Å; P1202-L1204 PolarHBondContact O-N 3.35Å; L1204-L1207 CarbonylContact C-O 3.59Å; L1204-V1208 HydrophobicContact CD2-CG1 4.19Å; L1204-V1208 WeakPolarHBondContact O-CB 3.31Å; L1204-V1208 VanDerWaalsContact O-CG1 3.28Å; L1204-V1208 WeakPolarHBondContact O-CG1 3.35Å; L1204-L1210 HydrophobicContact CB-CD1 4.47Å; L1204-L1210 HydrophobicContact CD2-CD1 4.12Å; L1204-L1210 WeakPolarHBondContact O-CB 3.5Å; L1204-L1210 PolarHBondContact O-N 2.74Å; L1204-A1215 HydrophobicContact CB-CB 3.77Å; L1204-L1218 HydrophobicContact CD1-CB 4.05Å; L1204-L1218 HydrophobicContact CD1-CD2 4.24Å; L1204-L1218 HydrophobicContact CD1-CG 4.22Å; L1204-L1218 HydrophobicContact CD2-CD2 3.73Å; L1204-A1219 HydrophobicContact CD1-CB 4.03Å |
| 1205 | H | 75.5 | Confident | 79.2 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 31% | 0.306 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -103.8 | -51.8 | -174.2 | -175.5 | -106.7 | 0 | 0 | 0 | 115.3 | L1201 P1202 L1207 L1210 W1212 A1215 | L1201-H1205 PolarHBondContact O-N 2.81Å; L1201-H1205 VanDerWaalsContact O-N 3.07Å; P1202-H1205 PolarHBondContact O-N 3.46Å; H1205-L1207 CarbonylContact C-O 3.56Å; H1205-L1207 PolarHBondContact N-O 2.97Å; H1205-L1210 PolarHBondContact CD2-O 3.14Å; H1205-W1212 HydrophobicContact CB-CE3 4.27Å; H1205-W1212 VanDerWaalsContact CD2-CA 3.46Å; H1205-W1212 WeakPolarHBondContact CD2-CA 3.38Å; H1205-W1212 AromaticContact CD2-CE3 3.87Å; H1205-W1212 PolarHBondContact CD2-N 2.93Å; H1205-W1212 AromaticContact CE1-CE3 3.9Å; H1205-W1212 AromaticContact CG-CE3 3.69Å; H1205-W1212 AromaticContact ND1-CE3 3.73Å; H1205-W1212 AromaticContact NE2-CE3 3.98Å; H1205-A1215 HydrophobicContact CB-CB 3.94Å |
| 1206 | R | 64 | Low | 79.1 | Confident | 130 Ų | 130 | 50.3 Ų | 50.3 | 49% | 0.491 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -52.4 | -176.1 | -65.6 | -179.6 | 177.9 | 164.7 | 1.2 | 110.5 | Y794 P1202 | Y794-R1206 VanDerWaalsContact CE1-NH1 3.33Å; P1202-R1206 PolarHBondContact O-N 2.67Å |
| 1207 | L | 57.9 | Low | 78.9 | Confident | 42 Ų | 42 | 53 Ų | 53 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -79 | 171.7 | 153.5 | -15.9 | 169.6 | 0 | 0 | 0 | 107.4 | A969 Q971 V1203 L1204 H1205 G1209 | A969-L1207 HydrophobicContact CB-CD1 3.64Å; A969-L1207 VanDerWaalsContact O-CD1 3.24Å; A969-L1207 WeakPolarHBondContact O-CD1 3.46Å; A969-L1207 WeakPolarHBondContact O-CD2 3.34Å; Q971-L1207 HydrophobicContact CB-CB 4.13Å; V1203-L1207 HydrophobicContact CB-CD1 4.08Å; V1203-L1207 HydrophobicContact CG1-CD1 4.15Å; V1203-L1207 HydrophobicContact CG2-CD1 3.8Å; V1203-L1207 CarbonylContact O-C 3.58Å; V1203-L1207 WeakPolarHBondContact O-CB 3.4Å; V1203-L1207 VanDerWaalsContact O-O 3.12Å; L1204-L1207 CarbonylContact C-O 3.59Å; H1205-L1207 CarbonylContact C-O 3.56Å; H1205-L1207 PolarHBondContact N-O 2.97Å; L1207-G1209 PolarHBondContact O-N 3.43Å |
| 1208 | V | 66.9 | Low | 78.9 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 64.7 | -35.1 | -177.3 | 169 | 0 | 0 | 0 | 0 | 114.7 | Q971 N972 N973 W1185 V1203 L1204 L1210 | Q971-V1208 HydrophobicContact CB-CB 4.41Å; Q971-V1208 HydrophobicContact CB-CG2 3.58Å; Q971-V1208 HydrophobicContact CG-CG2 3.69Å; N972-V1208 WeakPolarHBondContact CB-O 3.13Å; N972-V1208 PolarHBondContact ND2-O 3.43Å; N973-V1208 PolarHBondContact ND2-O 3.18Å; W1185-V1208 HydrophobicContact CH2-CB 4.19Å; W1185-V1208 HydrophobicContact CH2-CG1 3.28Å; W1185-V1208 HydrophobicContact CH2-CG2 3.79Å; W1185-V1208 HydrophobicContact CZ2-CB 4.35Å; W1185-V1208 HydrophobicContact CZ2-CG1 3.62Å; W1185-V1208 HydrophobicContact CZ2-CG2 3.89Å; W1185-V1208 HydrophobicContact CZ3-CG1 3.87Å; V1203-V1208 VanDerWaalsContact O-CB 3.22Å; V1203-V1208 WeakPolarHBondContact O-CB 3.31Å; V1203-V1208 WeakPolarHBondContact O-CG2 3.31Å; L1204-V1208 HydrophobicContact CD2-CG1 4.19Å; L1204-V1208 WeakPolarHBondContact O-CB 3.31Å; L1204-V1208 VanDerWaalsContact O-CG1 3.28Å; L1204-V1208 WeakPolarHBondContact O-CG1 3.35Å; V1208-L1210 HydrophobicContact CG1-CB 4.38Å; V1208-L1210 HydrophobicContact CG1-CD1 3.62Å; V1208-L1210 HydrophobicContact CG1-CG 3.69Å; V1208-L1210 PolarHBondContact O-N 2.92Å |
| 1209 | G | 71.6 | Confident | 78.9 | Confident | 46 Ų | 46 | 46.5 Ų | 46.5 | 47% | 0.474 | 23% | 0.228 | S | C | . | . | trans | 64.7 | 25.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1207 | L1207-G1209 PolarHBondContact O-N 3.43Š| ||
| 1210 | L | 74.9 | Confident | 79 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | trans | -66.7 | 152.5 | 164.8 | -73.9 | 161.3 | 0 | 0 | 0 | 108.9 | M1182 W1185 L1204 H1205 V1208 D1214 A1215 L1218 | M1182-L1210 HydrophobicContact SD-CD1 4.38Å; M1182-L1210 HydrophobicContact SD-CD2 4.41Å; W1185-L1210 HydrophobicContact CZ3-CD1 3.99Å; L1204-L1210 HydrophobicContact CB-CD1 4.47Å; L1204-L1210 HydrophobicContact CD2-CD1 4.12Å; L1204-L1210 WeakPolarHBondContact O-CB 3.5Å; L1204-L1210 PolarHBondContact O-N 2.74Å; H1205-L1210 PolarHBondContact CD2-O 3.14Å; V1208-L1210 HydrophobicContact CG1-CB 4.38Å; V1208-L1210 HydrophobicContact CG1-CD1 3.62Å; V1208-L1210 HydrophobicContact CG1-CG 3.69Å; V1208-L1210 PolarHBondContact O-N 2.92Å; L1210-D1214 HydrophobicContact CB-CB 4.31Å; L1210-D1214 HydrophobicContact CD2-CB 4.15Å; L1210-A1215 HydrophobicContact CB-CB 4.14Å; L1210-L1218 HydrophobicContact CD1-CD2 4.08Å | ||
| 1211 | R | 80.9 | Confident | 79.3 | Confident | 177 Ų | 177 | 48 Ų | 48 | 67% | 0.668 | 23% | 0.227 | S | C | * | . | trans | -65.8 | 146.4 | 170.4 | -54.4 | 173.3 | -61.1 | 168.8 | 8.1 | 108.3 | N1213 D1214 A1215 | R1211-N1213 VanDerWaalsContact C-N 3.27Å; R1211-N1213 PolarHBondContact O-N 3.5Å; R1211-N1213 VanDerWaalsContact O-N 3.08Å; R1211-D1214 IonicContact CZ-OD2 3.3Å; R1211-D1214 IonicContact NE-OD2 3.75Å; R1211-D1214 PolarHBondContact NE-OD2 3.26Å; R1211-D1214 VanDerWaalsContact NH2-CG 3.33Å; R1211-D1214 IonicContact NH2-OD1 3.89Å; R1211-D1214 PolarHBondContact NH2-OD1 3.03Å; R1211-D1214 VanDerWaalsContact NH2-OD1 3.11Å; R1211-D1214 IonicContact NH2-OD2 2.71Å; R1211-D1214 PolarHBondContact NH2-OD2 2.95Å; R1211-D1214 PolarHBondContact O-N 3.22Å; R1211-A1215 PolarHBondContact O-N 3.01Å | ||
| 1212 | W | 77.6 | Confident | 79.8 | Confident | 115 Ų | 115 | 47 Ų | 47 | 44% | 0.436 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -43.1 | -49.5 | -176.5 | -176.9 | -103.3 | 0 | 0 | 0 | 113.9 | L1201 H1205 D1214 A1215 V1216 | L1201-W1212 HydrophobicContact CD1-CZ3 4.5Å; L1201-W1212 HydrophobicContact CD2-CH2 3.8Å; L1201-W1212 HydrophobicContact CD2-CZ2 4.12Å; L1201-W1212 HydrophobicContact CD2-CZ3 4.38Å; L1201-W1212 HydrophobicContact CG-CH2 4.24Å; L1201-W1212 HydrophobicContact CG-CZ3 4.33Å; H1205-W1212 HydrophobicContact CB-CE3 4.27Å; H1205-W1212 VanDerWaalsContact CD2-CA 3.46Å; H1205-W1212 WeakPolarHBondContact CD2-CA 3.38Å; H1205-W1212 AromaticContact CD2-CE3 3.87Å; H1205-W1212 PolarHBondContact CD2-N 2.93Å; H1205-W1212 AromaticContact CE1-CE3 3.9Å; H1205-W1212 AromaticContact CG-CE3 3.69Å; H1205-W1212 AromaticContact ND1-CE3 3.73Å; H1205-W1212 AromaticContact NE2-CE3 3.98Å; W1212-D1214 PolarHBondContact O-N 2.8Å; W1212-A1215 PolarHBondContact O-N 3.43Å; W1212-V1216 HydrophobicContact CD2-CG2 4.32Å; W1212-V1216 HydrophobicContact CZ2-CG2 4.25Å; W1212-V1216 WeakPolarHBondContact O-CG2 3.46Å; W1212-V1216 PolarHBondContact O-N 3.42Å |
| 1213 | N | 83.9 | Confident | 80.3 | Confident | 115 Ų | 115 | 48 Ų | 48 | 62% | 0.615 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62.3 | -38.7 | -179.3 | -61.6 | 6.3 | 0 | 0 | 0 | 113.1 | R1211 R1217 | R1211-N1213 VanDerWaalsContact C-N 3.27Å; R1211-N1213 PolarHBondContact O-N 3.5Å; R1211-N1213 VanDerWaalsContact O-N 3.08Å; N1213-R1217 VanDerWaalsContact O-CD 3.26Å; N1213-R1217 WeakPolarHBondContact O-CD 3.47Å; N1213-R1217 WeakPolarHBondContact O-CG 2.96Å; N1213-R1217 PolarHBondContact O-N 2.84Å; N1213-R1217 VanDerWaalsContact O-N 3.09Å |
| 1214 | D | 84.3 | Confident | 80.9 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.102 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.2 | -39.8 | 178.1 | -55.8 | -44.1 | 0 | 0 | 0 | 110.6 | M1182 L1210 R1211 W1212 V1216 R1217 L1218 | M1182-D1214 HydrophobicContact CE-CB 3.73Å; M1182-D1214 WeakPolarHBondContact CE-O 3.28Å; M1182-D1214 HydrophobicContact SD-CB 4.19Å; L1210-D1214 HydrophobicContact CB-CB 4.31Å; L1210-D1214 HydrophobicContact CD2-CB 4.15Å; R1211-D1214 IonicContact CZ-OD2 3.3Å; R1211-D1214 IonicContact NE-OD2 3.75Å; R1211-D1214 PolarHBondContact NE-OD2 3.26Å; R1211-D1214 VanDerWaalsContact NH2-CG 3.33Å; R1211-D1214 IonicContact NH2-OD1 3.89Å; R1211-D1214 PolarHBondContact NH2-OD1 3.03Å; R1211-D1214 VanDerWaalsContact NH2-OD1 3.11Å; R1211-D1214 IonicContact NH2-OD2 2.71Å; R1211-D1214 PolarHBondContact NH2-OD2 2.95Å; R1211-D1214 PolarHBondContact O-N 3.22Å; W1212-D1214 PolarHBondContact O-N 2.8Å; D1214-V1216 PolarHBondContact O-N 2.98Å; D1214-R1217 PolarHBondContact O-N 3.45Å; D1214-R1217 IonicContact OD1-NH1 2.61Å; D1214-R1217 PolarHBondContact OD1-NH1 3.16Å; D1214-L1218 WeakPolarHBondContact O-CB 3.43Å; D1214-L1218 PolarHBondContact O-N 3.32Å |
| 1215 | A | 84.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62 | -40.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1201 L1204 H1205 L1210 R1211 W1212 A1219 | L1201-A1215 HydrophobicContact CD1-CB 3.78Å; L1204-A1215 HydrophobicContact CB-CB 3.77Å; H1205-A1215 HydrophobicContact CB-CB 3.94Å; L1210-A1215 HydrophobicContact CB-CB 4.14Å; R1211-A1215 PolarHBondContact O-N 3.01Å; W1212-A1215 PolarHBondContact O-N 3.43Å; A1215-A1219 WeakPolarHBondContact O-CB 3.39Å; A1215-A1219 PolarHBondContact O-N 2.8Å |
| 1216 | V | 85.5 | Confident | 81.9 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 9% | 0.085 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.6 | -44.5 | 175.6 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | W1149 L1201 W1212 D1214 A1219 R1220 | W1149-V1216 HydrophobicContact CE3-CG1 4.36Å; L1201-V1216 HydrophobicContact CD1-CB 4.42Å; L1201-V1216 HydrophobicContact CD1-CG2 3.72Å; L1201-V1216 HydrophobicContact CD2-CG2 4Å; W1212-V1216 HydrophobicContact CD2-CG2 4.32Å; W1212-V1216 HydrophobicContact CZ2-CG2 4.25Å; W1212-V1216 WeakPolarHBondContact O-CG2 3.46Å; W1212-V1216 PolarHBondContact O-N 3.42Å; D1214-V1216 PolarHBondContact O-N 2.98Å; V1216-A1219 PolarHBondContact O-N 3.46Å; V1216-R1220 PolarHBondContact O-N 3.05Å |
| 1217 | R | 88.8 | Confident | 82.8 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 21% | 0.211 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -48.1 | 177.3 | -69 | 160.6 | 67.6 | -139.1 | -5.6 | 111 | D1178 E1181 M1182 N1213 D1214 R1220 H1221 | D1178-R1217 VanDerWaalsContact C-NH2 3.35Å; D1178-R1217 PolarHBondContact O-NH2 2.71Å; D1178-R1217 IonicContact OD2-CZ 3.65Å; D1178-R1217 IonicContact OD2-NE 2.67Å; D1178-R1217 PolarHBondContact OD2-NE 2.68Å; D1178-R1217 IonicContact OD2-NH2 3.17Å; D1178-R1217 PolarHBondContact OD2-NH2 3.33Å; E1181-R1217 IonicContact OE1-CZ 3.89Å; E1181-R1217 VanDerWaalsContact OE1-CZ 3.25Å; E1181-R1217 IonicContact OE1-NH1 3.56Å; E1181-R1217 PolarHBondContact OE1-NH1 3.26Å; E1181-R1217 IonicContact OE1-NH2 2.71Å; E1181-R1217 PolarHBondContact OE1-NH2 3.5Å; M1182-R1217 HydrophobicContact CE-CB 4.31Å; N1213-R1217 VanDerWaalsContact O-CD 3.26Å; N1213-R1217 WeakPolarHBondContact O-CD 3.47Å; N1213-R1217 WeakPolarHBondContact O-CG 2.96Å; N1213-R1217 PolarHBondContact O-N 2.84Å; N1213-R1217 VanDerWaalsContact O-N 3.09Å; D1214-R1217 PolarHBondContact O-N 3.45Å; D1214-R1217 IonicContact OD1-NH1 2.61Å; D1214-R1217 PolarHBondContact OD1-NH1 3.16Å; R1217-R1220 WeakPolarHBondContact O-CB 3.47Å; R1217-R1220 PolarHBondContact O-N 3.2Å; R1217-H1221 PolarHBondContact O-N 3.36Å |
| 1218 | L | 88.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.8 | -38.3 | 179.1 | -164.5 | 66.5 | 0 | 0 | 0 | 111.9 | L1174 C1179 M1182 W1185 L1186 F1196 L1204 L1210 D1214 R1220 H1221 V1222 | L1174-L1218 HydrophobicContact CD1-CD1 4.36Å; L1174-L1218 HydrophobicContact CD2-CD1 4.07Å; C1179-L1218 HydrophobicContact CB-CD1 3.77Å; C1179-L1218 PolarHBondContact SG-N 3.11Å; M1182-L1218 HydrophobicContact CB-CD1 4.44Å; M1182-L1218 HydrophobicContact CB-CD2 4.5Å; M1182-L1218 HydrophobicContact SD-CB 3.83Å; M1182-L1218 HydrophobicContact SD-CD1 4.15Å; M1182-L1218 HydrophobicContact SD-CD2 3.98Å; M1182-L1218 HydrophobicContact SD-CG 4.22Å; W1185-L1218 HydrophobicContact CZ3-CD2 4.14Å; L1186-L1218 HydrophobicContact CD1-CD1 4.25Å; L1186-L1218 HydrophobicContact CD1-CD2 4.2Å; F1196-L1218 HydrophobicContact CE2-CD1 3.8Å; F1196-L1218 HydrophobicContact CE2-CG 4.12Å; F1196-L1218 HydrophobicContact CZ-CD1 4.21Å; L1204-L1218 HydrophobicContact CD1-CB 4.05Å; L1204-L1218 HydrophobicContact CD1-CD2 4.24Å; L1204-L1218 HydrophobicContact CD1-CG 4.22Å; L1204-L1218 HydrophobicContact CD2-CD2 3.73Å; L1210-L1218 HydrophobicContact CD1-CD2 4.08Å; D1214-L1218 WeakPolarHBondContact O-CB 3.43Å; D1214-L1218 PolarHBondContact O-N 3.32Å; L1218-R1220 VanDerWaalsContact C-N 3.33Å; L1218-R1220 PolarHBondContact O-N 3.24Å; L1218-H1221 PolarHBondContact O-N 3.13Å; L1218-H1221 VanDerWaalsContact O-N 3.13Å; L1218-V1222 WeakPolarHBondContact O-CG2 3.38Å; L1218-V1222 PolarHBondContact O-N 3.21Å |
| 1219 | A | 88.4 | Confident | 85.1 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -37 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L1201 L1204 A1215 V1216 V1222 M1223 | L1201-A1219 HydrophobicContact CB-CB 3.98Å; L1201-A1219 HydrophobicContact CD1-CB 4.24Å; L1204-A1219 HydrophobicContact CD1-CB 4.03Å; A1215-A1219 WeakPolarHBondContact O-CB 3.39Å; A1215-A1219 PolarHBondContact O-N 2.8Å; V1216-A1219 PolarHBondContact O-N 3.46Å; A1219-V1222 PolarHBondContact O-N 3.41Å; A1219-M1223 WeakPolarHBondContact O-CG 3.45Å; A1219-M1223 PolarHBondContact O-N 3.45Å |
| 1220 | R | 88.6 | Confident | 85.6 | Confident | 77 Ų | 77 | 46.5 Ų | 46.5 | 29% | 0.291 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.9 | -46.8 | 171.5 | -76.3 | 174.8 | 174.2 | 159.8 | -0.1 | 111.2 | W1149 L1150 V1216 R1217 L1218 V1222 M1223 S1224 | W1149-R1220 VanDerWaalsContact O-CZ 3.25Å; W1149-R1220 PolarHBondContact O-NE 3.13Å; W1149-R1220 PolarHBondContact O-NH2 3.34Å; L1150-R1220 HydrophobicContact CD2-CG 3.91Å; V1216-R1220 PolarHBondContact O-N 3.05Å; R1217-R1220 WeakPolarHBondContact O-CB 3.47Å; R1217-R1220 PolarHBondContact O-N 3.2Å; L1218-R1220 VanDerWaalsContact C-N 3.33Å; L1218-R1220 PolarHBondContact O-N 3.24Å; R1220-V1222 PolarHBondContact O-N 3.04Å; R1220-M1223 CarbonylContact O-C 3.39Å; R1220-M1223 PolarHBondContact O-N 3.47Å; R1220-M1223 VanDerWaalsContact O-N 3.14Å; R1220-S1224 PolarHBondContact O-N 3.34Å; R1220-S1224 PolarHBondContact O-OG 3.32Å |
| 1221 | H | 91 | Very high | 85.9 | Confident | 26 Ų | 26 | 49 Ų | 49 | 12% | 0.12 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -35.9 | 177.2 | -81.3 | -69 | 0 | 0 | 0 | 113.4 | Y1173 L1174 T1177 D1178 F1196 R1217 L1218 M1223 S1224 V1225 | Y1173-H1221 HydrophobicContact CE1-CB 4.43Å; Y1173-H1221 AromaticContact CZ-ND1 3.77Å; Y1173-H1221 PolarHBondContact OH-ND1 3.25Å; L1174-H1221 HydrophobicContact CD2-CB 4.48Å; T1177-H1221 WeakPolarHBondContact CG2-CE1 3.41Å; T1177-H1221 WeakPolarHBondContact CG2-ND1 3.47Å; D1178-H1221 IonicContact OD1-CD2 2.67Å; D1178-H1221 IonicContact OD1-NE2 2.85Å; D1178-H1221 PolarHBondContact OD1-NE2 2.96Å; F1196-H1221 HydrophobicContact CZ-CB 4.21Å; R1217-H1221 PolarHBondContact O-N 3.36Å; L1218-H1221 PolarHBondContact O-N 3.13Å; L1218-H1221 VanDerWaalsContact O-N 3.13Å; H1221-M1223 VanDerWaalsContact C-N 3.3Å; H1221-M1223 PolarHBondContact O-N 2.92Å; H1221-S1224 PolarHBondContact O-N 2.86Å; H1221-V1225 WeakPolarHBondContact O-CG2 3.46Å; H1221-V1225 PolarHBondContact O-N 3.46Å |
| 1222 | V | 90 | Very high | 86 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -39.2 | 170.8 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | F1196 L1199 L1218 A1219 R1220 K1226 | F1196-V1222 HydrophobicContact CD1-CG2 4.15Å; F1196-V1222 HydrophobicContact CD2-CG2 4.04Å; F1196-V1222 HydrophobicContact CE1-CB 4.28Å; F1196-V1222 HydrophobicContact CE1-CG2 3.71Å; F1196-V1222 HydrophobicContact CE2-CG2 3.58Å; F1196-V1222 HydrophobicContact CG-CG2 4.3Å; F1196-V1222 HydrophobicContact CZ-CB 4.33Å; F1196-V1222 HydrophobicContact CZ-CG2 3.4Å; F1196-V1222 WeakPolarHBondContact O-CG1 3.47Å; F1196-V1222 WeakPolarHBondContact O-CG2 3.3Å; L1199-V1222 HydrophobicContact CB-CG1 4.33Å; L1199-V1222 HydrophobicContact CB-CG2 3.95Å; L1199-V1222 HydrophobicContact CD1-CG2 4.35Å; L1199-V1222 WeakPolarHBondContact O-CG1 3.31Å; L1218-V1222 WeakPolarHBondContact O-CG2 3.38Å; L1218-V1222 PolarHBondContact O-N 3.21Å; A1219-V1222 PolarHBondContact O-N 3.41Å; R1220-V1222 PolarHBondContact O-N 3.04Å; V1222-K1226 HydrophobicContact CG1-CD 4.29Å; V1222-K1226 WeakPolarHBondContact O-CB 3.32Å; V1222-K1226 WeakPolarHBondContact O-CG 3.38Å; V1222-K1226 PolarHBondContact O-N 2.86Å |
| 1223 | M | 86.9 | Confident | 86 | Confident | 75 Ų | 75 | 41.5 Ų | 41.5 | 37% | 0.369 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -73.7 | -36.3 | 175.3 | -68.9 | -154.2 | 68.6 | 0 | 0 | 113.3 | L1150 I1153 A1219 R1220 H1221 K1226 Q1227 | L1150-M1223 HydrophobicContact CD1-SD 3.97Å; L1150-M1223 HydrophobicContact CD2-SD 4.2Å; L1150-M1223 HydrophobicContact CG-SD 4.47Å; I1153-M1223 HydrophobicContact CD1-CB 4.05Å; I1153-M1223 HydrophobicContact CD1-CE 4.25Å; A1219-M1223 WeakPolarHBondContact O-CG 3.45Å; A1219-M1223 PolarHBondContact O-N 3.45Å; R1220-M1223 CarbonylContact O-C 3.39Å; R1220-M1223 PolarHBondContact O-N 3.47Å; R1220-M1223 VanDerWaalsContact O-N 3.14Å; H1221-M1223 VanDerWaalsContact C-N 3.3Å; H1221-M1223 PolarHBondContact O-N 2.92Å; M1223-K1226 PolarHBondContact O-N 2.81Å; M1223-Q1227 VanDerWaalsContact O-CB 3.31Å; M1223-Q1227 WeakPolarHBondContact O-CB 3.47Å; M1223-Q1227 PolarHBondContact O-N 3.48Å |
| 1224 | S | 88.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58 | -46.8 | 168.8 | -73.4 | 0 | 0 | 0 | 0 | 111.7 | I1153 P1154 R1220 H1221 Q1227 A1228 | I1153-S1224 VanDerWaalsContact CG2-OG 3.28Å; I1153-S1224 WeakPolarHBondContact CG2-OG 3.37Å; P1154-S1224 WeakPolarHBondContact CD-OG 3.4Å; P1154-S1224 WeakPolarHBondContact O-CB 3.48Å; P1154-S1224 PolarHBondContact O-OG 3.42Å; R1220-S1224 PolarHBondContact O-N 3.34Å; R1220-S1224 PolarHBondContact O-OG 3.32Å; H1221-S1224 PolarHBondContact O-N 2.86Å; S1224-Q1227 PolarHBondContact O-N 2.9Å; S1224-A1228 WeakPolarHBondContact O-CB 3.24Å; S1224-A1228 PolarHBondContact O-N 3.12Å |
| 1225 | V | 88.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.9 | -39.1 | -179.9 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | L1158 P1162 W1165 Y1173 F1196 M1197 H1221 F1229 | L1158-V1225 HydrophobicContact CD1-CG1 4.09Å; L1158-V1225 HydrophobicContact CD2-CG2 4.26Å; P1162-V1225 HydrophobicContact CB-CG1 3.55Å; P1162-V1225 HydrophobicContact CG-CG1 3.79Å; W1165-V1225 HydrophobicContact CH2-CG1 4.44Å; W1165-V1225 HydrophobicContact CH2-CG2 4.21Å; W1165-V1225 HydrophobicContact CZ3-CG1 4.31Å; W1165-V1225 HydrophobicContact CZ3-CG2 4.27Å; Y1173-V1225 HydrophobicContact CD1-CG2 4.04Å; Y1173-V1225 HydrophobicContact CE1-CG2 3.38Å; F1196-V1225 HydrophobicContact CD1-CB 4.45Å; F1196-V1225 HydrophobicContact CD1-CG1 4.49Å; F1196-V1225 HydrophobicContact CD1-CG2 4.44Å; F1196-V1225 HydrophobicContact CE1-CB 4.24Å; F1196-V1225 HydrophobicContact CE1-CG2 3.95Å; M1197-V1225 HydrophobicContact CG-CG1 3.74Å; M1197-V1225 HydrophobicContact SD-CG1 4.03Å; H1221-V1225 WeakPolarHBondContact O-CG2 3.46Å; H1221-V1225 PolarHBondContact O-N 3.46Å; V1225-F1229 VanDerWaalsContact O-CB 3.24Å; V1225-F1229 WeakPolarHBondContact O-CB 3.45Å; V1225-F1229 PolarHBondContact O-N 3Å |
| 1226 | K | 88.5 | Confident | 80.9 | Confident | 71 Ų | 71 | 45.5 Ų | 45.5 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.8 | -48 | 171.1 | -88 | 168.2 | 155.1 | 146.8 | 0 | 112.9 | M1197 L1199 V1222 M1223 F1229 L1230 | M1197-K1226 HydrophobicContact CB-CG 4.19Å; M1197-K1226 HydrophobicContact CG-CG 4.2Å; M1197-K1226 WeakPolarHBondContact O-CE 3.33Å; M1197-K1226 PolarHBondContact O-NZ 2.96Å; M1197-K1226 HydrophobicContact SD-CG 4.46Å; L1199-K1226 PolarHBondContact O-NZ 3.42Å; V1222-K1226 HydrophobicContact CG1-CD 4.29Å; V1222-K1226 WeakPolarHBondContact O-CB 3.32Å; V1222-K1226 WeakPolarHBondContact O-CG 3.38Å; V1222-K1226 PolarHBondContact O-N 2.86Å; M1223-K1226 PolarHBondContact O-N 2.81Å; K1226-F1229 WeakPolarHBondContact O-CB 3.48Å; K1226-F1229 PolarHBondContact O-N 3.16Å; K1226-L1230 WeakPolarHBondContact O-CG 3.36Å; K1226-L1230 PolarHBondContact O-N 3.18Å |
| 1227 | Q | 84.3 | Confident | 78.6 | Confident | 54 Ų | 54 | 50.3 Ų | 50.3 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64 | -45.3 | 179.3 | 179.1 | 174.3 | -1.2 | 0 | 0 | 110.4 | M1223 S1224 F1229 L1230 E1231 | M1223-Q1227 VanDerWaalsContact O-CB 3.31Å; M1223-Q1227 WeakPolarHBondContact O-CB 3.47Å; M1223-Q1227 PolarHBondContact O-N 3.48Å; S1224-Q1227 PolarHBondContact O-N 2.9Å; Q1227-F1229 VanDerWaalsContact C-N 3.35Å; Q1227-F1229 PolarHBondContact O-N 3.2Å; Q1227-L1230 PolarHBondContact O-N 2.94Å; Q1227-E1231 HydrophobicContact CG-CG 4.14Å; Q1227-E1231 PolarHBondContact NE2-OE1 2.96Å; Q1227-E1231 WeakPolarHBondContact O-CB 3.4Å; Q1227-E1231 WeakPolarHBondContact O-CG 3.37Å; Q1227-E1231 PolarHBondContact O-N 3.1Å |
| 1228 | A | 84.6 | Confident | 76 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1156 L1158 S1224 L1230 E1231 Q1232 | V1156-A1228 WeakPolarHBondContact O-CB 3.35Å; L1158-A1228 HydrophobicContact CD1-CB 3.71Å; L1158-A1228 HydrophobicContact CD2-CB 4.29Å; L1158-A1228 HydrophobicContact CG-CB 3.67Å; S1224-A1228 WeakPolarHBondContact O-CB 3.24Å; S1224-A1228 PolarHBondContact O-N 3.12Å; A1228-L1230 VanDerWaalsContact C-N 3.34Å; A1228-L1230 PolarHBondContact O-N 3.05Å; A1228-E1231 PolarHBondContact O-N 3.13Å; A1228-Q1232 WeakPolarHBondContact O-CB 3.47Å; A1228-Q1232 WeakPolarHBondContact O-CG 3.16Å; A1228-Q1232 PolarHBondContact O-N 2.98Å |
| 1229 | F | 88.4 | Confident | 73.4 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 20% | 0.197 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57 | -47.3 | 171.2 | 173.7 | -112.6 | 0 | 0 | 0 | 111.8 | N1161 P1162 M1163 M1197 V1225 K1226 Q1227 F1233 S1234 | N1161-F1229 WeakPolarHBondContact OD1-CD2 3.44Å; N1161-F1229 WeakPolarHBondContact OD1-CE2 3.34Å; P1162-F1229 HydrophobicContact CG-CB 3.8Å; P1162-F1229 HydrophobicContact CG-CD2 3.99Å; P1162-F1229 HydrophobicContact CG-CG 4.22Å; M1163-F1229 HydrophobicContact CB-CE2 4.45Å; M1163-F1229 HydrophobicContact CG-CD2 4.11Å; M1163-F1229 HydrophobicContact CG-CE1 4.49Å; M1163-F1229 HydrophobicContact CG-CE2 3.39Å; M1163-F1229 HydrophobicContact CG-CZ 3.62Å; M1163-F1229 HydrophobicContact SD-CZ 4.3Å; M1197-F1229 HydrophobicContact CE-CG 4.4Å; M1197-F1229 HydrophobicContact SD-CB 3.82Å; M1197-F1229 HydrophobicContact SD-CD1 4.26Å; M1197-F1229 HydrophobicContact SD-CG 3.99Å; V1225-F1229 VanDerWaalsContact O-CB 3.24Å; V1225-F1229 WeakPolarHBondContact O-CB 3.45Å; V1225-F1229 PolarHBondContact O-N 3Å; K1226-F1229 WeakPolarHBondContact O-CB 3.48Å; K1226-F1229 PolarHBondContact O-N 3.16Å; Q1227-F1229 VanDerWaalsContact C-N 3.35Å; Q1227-F1229 PolarHBondContact O-N 3.2Å; F1229-F1233 HydrophobicContact CD2-CB 3.92Å; F1229-F1233 HydrophobicContact CD2-CD2 4.47Å; F1229-F1233 HydrophobicContact CE2-CB 4.04Å; F1229-F1233 CarbonylContact O-C 3.57Å; F1229-F1233 WeakPolarHBondContact O-CA 3.14Å; F1229-F1233 WeakPolarHBondContact O-CB 3.17Å; F1229-F1233 PolarHBondContact O-N 3.11Å; F1229-S1234 PolarHBondContact O-N 3.02Å; F1229-S1234 VanDerWaalsContact O-N 3.1Å |
| 1230 | L | 80.9 | Confident | 70.9 | Confident | 94 Ų | 94 | 65.4 Ų | 65.4 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 178.6 | -64.4 | 171 | 0 | 0 | 0 | 112.5 | K1226 Q1227 A1228 S1234 M1235 | K1226-L1230 WeakPolarHBondContact O-CG 3.36Å; K1226-L1230 PolarHBondContact O-N 3.18Å; Q1227-L1230 PolarHBondContact O-N 2.94Å; A1228-L1230 VanDerWaalsContact C-N 3.34Å; A1228-L1230 PolarHBondContact O-N 3.05Å; L1230-S1234 WeakPolarHBondContact CA-OG 3.41Å; L1230-S1234 WeakPolarHBondContact CD2-OG 3.34Å; L1230-S1234 PolarHBondContact O-OG 2.78Å; L1230-M1235 WeakPolarHBondContact O-CE 3.28Å |
| 1231 | E | 81.4 | Confident | 68 | Low | 81 Ų | 81 | 71.3 Ų | 71.3 | 38% | 0.379 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -73.6 | -25.6 | -178.8 | -72.2 | -178.5 | 171.4 | 0 | 0 | 113.7 | R1155 Q1227 A1228 | R1155-E1231 IonicContact CZ-OE1 3.28Å; R1155-E1231 VanDerWaalsContact CZ-OE1 3.28Å; R1155-E1231 IonicContact CZ-OE2 3.74Å; R1155-E1231 IonicContact NE-OE1 3.02Å; R1155-E1231 PolarHBondContact NE-OE1 3.49Å; R1155-E1231 IonicContact NE-OE2 2.96Å; R1155-E1231 PolarHBondContact NE-OE2 2.7Å; R1155-E1231 IonicContact NH2-OE1 2.7Å; R1155-E1231 PolarHBondContact NH2-OE1 2.81Å; R1155-E1231 IonicContact NH2-OE2 3.8Å; Q1227-E1231 HydrophobicContact CG-CG 4.14Å; Q1227-E1231 PolarHBondContact NE2-OE1 2.96Å; Q1227-E1231 WeakPolarHBondContact O-CB 3.4Å; Q1227-E1231 WeakPolarHBondContact O-CG 3.37Å; Q1227-E1231 PolarHBondContact O-N 3.1Å; A1228-E1231 PolarHBondContact O-N 3.13Å |
| 1232 | Q | 82.6 | Confident | 65.3 | Low | 67 Ų | 67 | 75.5 Ų | 75.5 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -117.5 | -17.7 | -171.3 | -61.3 | 152.6 | 36.2 | 0 | 0 | 114.2 | V1156 A1228 | V1156-Q1232 PolarHBondContact O-NE2 3.37Å; A1228-Q1232 WeakPolarHBondContact O-CB 3.47Å; A1228-Q1232 WeakPolarHBondContact O-CG 3.16Å; A1228-Q1232 PolarHBondContact O-N 2.98Å |
| 1233 | F | 78.3 | Confident | 62.6 | Low | 69 Ų | 69 | 86.2 Ų | 86.2 | 30% | 0.303 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.4 | -17.8 | -170.8 | -55.6 | -82 | 0 | 0 | 0 | 116.8 | L1158 N1161 F1229 M1235 | L1158-F1233 HydrophobicContact CB-CE2 4.17Å; L1158-F1233 HydrophobicContact CD1-CE2 4.49Å; N1161-F1233 HydrophobicContact CB-CD1 3.61Å; N1161-F1233 HydrophobicContact CB-CD2 4.42Å; N1161-F1233 HydrophobicContact CB-CE1 3.8Å; N1161-F1233 HydrophobicContact CB-CG 3.95Å; N1161-F1233 HydrophobicContact CB-CZ 4.29Å; F1229-F1233 HydrophobicContact CD2-CB 3.92Å; F1229-F1233 HydrophobicContact CD2-CD2 4.47Å; F1229-F1233 HydrophobicContact CE2-CB 4.04Å; F1229-F1233 CarbonylContact O-C 3.57Å; F1229-F1233 WeakPolarHBondContact O-CA 3.14Å; F1229-F1233 WeakPolarHBondContact O-CB 3.17Å; F1229-F1233 PolarHBondContact O-N 3.11Å; F1233-M1235 PolarHBondContact O-N 3.27Å |
| 1234 | S | 57.9 | Low | 59.8 | Low | 44 Ų | 44 | 88.1 Ų | 88.1 | 31% | 0.308 | 45% | 0.454 | S | S | . | . | trans | -87.3 | 45.1 | -175 | 82.8 | 0 | 0 | 0 | 0 | 113.9 | F1229 L1230 | F1229-S1234 PolarHBondContact O-N 3.02Å; F1229-S1234 VanDerWaalsContact O-N 3.1Å; L1230-S1234 WeakPolarHBondContact CA-OG 3.41Å; L1230-S1234 WeakPolarHBondContact CD2-OG 3.34Å; L1230-S1234 PolarHBondContact O-OG 2.78Å | ||
| 1235 | M | 49.1 | Very low | 57.2 | Low | 122 Ų | 122 | 93.3 Ų | 93.3 | 60% | 0.601 | 49% | 0.488 | S | S | * | . | trans | -149.3 | 125.8 | -163.3 | -61 | -65.6 | 165.3 | 0 | 0 | 110.8 | L1230 F1233 | L1230-M1235 WeakPolarHBondContact O-CE 3.28Å; F1233-M1235 PolarHBondContact O-N 3.27Å | ||
| 1236 | N | 38.4 | Very low | 54.6 | Low | 52 Ų | 52 | 101.8 Ų | 101.8 | 28% | 0.278 | 53% | 0.527 | S | S | . | . | cis | -152.3 | 140 | -18.8 | -79.9 | -70.4 | 0 | 0 | 0 | 107.8 | A958 | A958-N1236 HydrophobicContact CB-CB 3.82Å; A958-N1236 VanDerWaalsContact CB-ND2 3.28Å; A958-N1236 WeakPolarHBondContact CB-ND2 3.34Å | ||
| 1237 | P | 36.8 | Very low | 52 | Low | 114 Ų | 114 | 104.9 Ų | 104.9 | 74% | 0.74 | 55% | 0.553 | S | S | * | * | trans | -104.6 | 123 | 168.4 | 34 | -25.3 | 0 | 0 | 0 | 112.9 | ||||
| 1238 | N | 34.6 | Very low | 49.2 | Very low | 151 Ų | 151 | 117.6 Ų | 117.6 | 81% | 0.807 | 60% | 0.598 | S | S | * | * | trans | 72.5 | 100.1 | 156.6 | -52.9 | -3.4 | 0 | 0 | 0 | 118.7 | ||||
| 1239 | L | 35.4 | Very low | 47.4 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 51% | 0.513 | 63% | 0.627 | S | S | . | * | trans | -116.1 | 141.7 | 134.5 | -90.7 | -163.3 | 0 | 0 | 0 | 111.4 | P959 | P959-L1239 VanDerWaalsContact CD-CD1 3.4Š| ||
| 1240 | N | 34.1 | Very low | 45.3 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 69% | 0.69 | 65% | 0.65 | S | S | * | * | trans | 60.9 | 87.4 | 156.2 | -56.9 | -12.1 | 0 | 0 | 0 | 118.9 | ||||
| 1241 | E | 28.7 | Very low | 43.3 | Very low | 201 Ų | 201 | 129.4 Ų | 129.4 | 94% | 0.939 | 66% | 0.659 | S | S | * | * | trans | -67.6 | 118.6 | 139.3 | -68 | -174.3 | 129.2 | 0 | 0 | 109.4 | ||||
| 1242 | T | 34.8 | Very low | 41.1 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | trans | -146.3 | 115.3 | 164.7 | -41.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1243 | Y | 32.6 | Very low | 38.5 | Very low | 227 Ų | 227 | 136.3 Ų | 136.3 | 89% | 0.89 | 70% | 0.698 | S | S | * | * | trans | 9.4 | 117.4 | 164.5 | -67.5 | -88.1 | 0 | 0 | 0 | 119.9 | ||||
| 1244 | S | 29.2 | Very low | 35.8 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -91.5 | 135.6 | 160.2 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1245 | P | 31.7 | Very low | 34.2 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | trans | -99.9 | 131.6 | 156.1 | 34 | -27.2 | 0 | 0 | 0 | 112 | ||||
| 1246 | E | 34.2 | Very low | 33.1 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 50.8 | 97.8 | 148.1 | -57.7 | -170.2 | 154.7 | 0 | 0 | 120.6 | ||||
| 1247 | T | 33.5 | Very low | 32.7 | Very low | 137 Ų | 137 | 157.8 Ų | 157.8 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | 42 | 114.1 | 136.3 | 44.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1248 | R | 26.4 | Very low | 32.3 | Very low | 321 Ų | 321 | 161.8 Ų | 161.8 | 100% | 1.211 | 81% | 0.812 | S | S | * | * | trans | -149.1 | 0 | 136.2 | -139.5 | 177.4 | -165.5 | 172.7 | 6.6 | 112.6 |
Retrieved 1,248 of 1,248 residues in 1185 ms
(Link to these results)