| 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 | 28.2 | Very low | 43.9 | Very low | 240 Ų | 240 | 71 Ų | 71 | 100% | 1.182 | 44% | 0.443 | S | S | * | . | 0 | 112.6 | 0 | -75.7 | 171.1 | 160.5 | 0 | 0 | 107.3 | |||||
| 2 | T | 22.5 | Very low | 47.7 | Very low | 140 Ų | 140 | 66.6 Ų | 66.6 | 86% | 0.859 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 121.8 | 171.4 | 29.4 | 0 | 0 | 0 | 0 | 108.1 | S4 | T2-S4 PolarHBondContact O-N 2.87Š|
| 3 | P | 25.2 | Very low | 50.7 | Low | 69 Ų | 69 | 69.4 Ų | 69.4 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 132 | 178.5 | 22.1 | -22.5 | 0 | 0 | 0 | 108.6 | W13 | P3-W13 HydrophobicContact CG-CZ2 4.17Š|
| 4 | S | 26.8 | Very low | 53.1 | Low | 62 Ų | 62 | 67.9 Ų | 67.9 | 43% | 0.434 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 146.9 | 163.8 | 46.7 | 0 | 0 | 0 | 0 | 108.3 | T2 S6 S7 | T2-S4 PolarHBondContact O-N 2.87Å; S4-S6 PolarHBondContact O-N 3.19Å; S4-S6 PolarHBondContact OG-OG 2.96Å; S4-S7 PolarHBondContact O-N 2.94Å; S4-S7 VanDerWaalsContact O-N 3.16Å; S4-S7 PolarHBondContact O-OG 3.11Å |
| 5 | S | 33.1 | Very low | 55.1 | Low | 129 Ų | 129 | 67.1 Ų | 67.1 | 90% | 0.902 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 4.3 | 179.4 | 61.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 6 | S | 36.2 | Very low | 56.8 | Low | 32 Ų | 32 | 65.3 Ų | 65.3 | 22% | 0.224 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.7 | 173.4 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | S4 A8 E751 | S4-S6 PolarHBondContact O-N 3.19Å; S4-S6 PolarHBondContact OG-OG 2.96Å; S6-A8 PolarHBondContact O-N 3.32Å; S6-E751 PolarHBondContact OG-OE1 2.92Å |
| 7 | S | 37.1 | Very low | 58.6 | Low | 18 Ų | 18 | 63.4 Ų | 63.4 | 13% | 0.126 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -68.1 | -2.3 | -175.3 | 53.5 | 0 | 0 | 0 | 0 | 116.3 | S4 S9 G10 | S4-S7 PolarHBondContact O-N 2.94Å; S4-S7 VanDerWaalsContact O-N 3.16Å; S4-S7 PolarHBondContact O-OG 3.11Å; S7-S9 PolarHBondContact O-N 3.38Å; S7-G10 PolarHBondContact O-N 3.34Å |
| 8 | A | 50.9 | Low | 60.4 | Low | 61 Ų | 61 | 60.2 Ų | 60.2 | 50% | 0.504 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -68 | -17.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S6 Q77 R95 | S6-A8 PolarHBondContact O-N 3.32Å; A8-Q77 PolarHBondContact O-OE1 3.13Å; A8-R95 PolarHBondContact O-NH2 3.45Å |
| 9 | S | 60.8 | Low | 61.9 | Low | 22 Ų | 22 | 60.9 Ų | 60.9 | 15% | 0.154 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -108.2 | 0.9 | -179.1 | 70.6 | 0 | 0 | 0 | 0 | 114.3 | S7 T744 | S7-S9 PolarHBondContact O-N 3.38Å; S9-T744 VanDerWaalsContact C-OG1 3.3Å; S9-T744 WeakPolarHBondContact CB-OG1 3.46Å; S9-T744 PolarHBondContact O-OG1 3.22Å; S9-T744 PolarHBondContact OG-OG1 3.34Å |
| 10 | G | 74.8 | Confident | 63.3 | Low | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -61.8 | 165.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | S7 C15 Q77 | S7-G10 PolarHBondContact O-N 3.34Å; G10-C15 WeakPolarHBondContact CA-O 3.5Å; G10-Q77 PolarHBondContact O-NE2 2.97Å |
| 11 | E | 87.7 | Confident | 64.7 | Low | 7 Ų | 7 | 68.7 Ų | 68.7 | 3% | 0.033 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -74.9 | -30.5 | 175.2 | -65.8 | 175.4 | -174.9 | 0 | 0 | 112.2 | C15 H16 M18 R40 C92 M96 | E11-C15 PolarHBondContact N-O 3.4Å; E11-H16 PolarHBondContact N-O 3.17Å; E11-H16 VanDerWaalsContact N-O 3.07Å; E11-M18 HydrophobicContact CB-CB 4.11Å; E11-M18 WeakPolarHBondContact OE2-CB 3.32Å; E11-M18 PolarHBondContact OE2-N 3.49Å; E11-R40 IonicContact OE1-CZ 3.28Å; E11-R40 IonicContact OE1-NH2 3.46Å; E11-R40 PolarHBondContact OE1-NH2 3.26Å; E11-R40 IonicContact OE2-CZ 3.53Å; E11-R40 IonicContact OE2-NE 3.93Å; E11-R40 PolarHBondContact OE2-NE 2.86Å; E11-R40 VanDerWaalsContact OE2-NE 3.08Å; E11-R40 IonicContact OE2-NH2 2.76Å; E11-R40 PolarHBondContact OE2-NH2 3.32Å; E11-C92 HydrophobicContact CG-CB 4.27Å; E11-C92 WeakPolarHBondContact CG-O 3.47Å; E11-M96 PolarHBondContact O-N 3.42Å |
| 12 | L | 89.1 | Confident | 67.8 | Low | 18 Ų | 18 | 58.2 Ų | 58.2 | 9% | 0.094 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -137.8 | 146.3 | 177 | -172.7 | 69.9 | 0 | 0 | 0 | 108.8 | G14 C15 M18 M96 | L12-G14 PolarHBondContact O-N 3.46Å; L12-G14 VanDerWaalsContact O-N 3.15Å; L12-C15 PolarHBondContact O-N 3.5Å; L12-M18 HydrophobicContact CB-CE 4.23Å; L12-M18 HydrophobicContact CD1-CE 4.08Å; L12-M18 HydrophobicContact CD2-CE 4.42Å; L12-M18 HydrophobicContact CG-CE 4.48Å; L12-M96 WeakPolarHBondContact CA-O 3.47Å; L12-M96 HydrophobicContact CD1-CB 4.07Å |
| 13 | W | 86.9 | Confident | 71.2 | Confident | 103 Ų | 103 | 55.5 Ų | 55.5 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 124.6 | 178.5 | 178.1 | -103 | 0 | 0 | 0 | 112.2 | P3 C15 Q77 M96 F97 | P3-W13 HydrophobicContact CG-CZ2 4.17Å; W13-C15 VanDerWaalsContact C-N 3.32Å; W13-C15 PolarHBondContact O-N 3.12Å; W13-Q77 HydrophobicContact CB-CG 4.34Å; W13-Q77 HydrophobicContact CE3-CB 4.3Å; W13-Q77 HydrophobicContact CE3-CG 4.33Å; W13-M96 PolarHBondContact N-O 3.04Å; W13-M96 VanDerWaalsContact N-O 3.13Å; W13-F97 HydrophobicContact CB-CD2 3.97Å; W13-F97 HydrophobicContact CB-CE2 4.39Å; W13-F97 WeakPolarHBondContact CB-O 3.39Å; W13-F97 AromaticContact CD1-CE2 3.95Å; W13-F97 HydrophobicContact CD2-CD2 4.21Å; W13-F97 HydrophobicContact CD2-CE2 4.11Å; W13-F97 AromaticContact CG-CD2 3.91Å; W13-F97 HydrophobicContact CG-CD2 3.91Å; W13-F97 AromaticContact CG-CE2 3.89Å; W13-F97 HydrophobicContact CG-CE2 3.89Å |
| 14 | G | 83.5 | Confident | 74.6 | Confident | 48 Ų | 48 | 52.2 Ų | 52.2 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -1.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115.7 | L12 | L12-G14 PolarHBondContact O-N 3.46Å; L12-G14 VanDerWaalsContact O-N 3.15Å |
| 15 | C | 83.1 | Confident | 77.9 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -130.6 | 131 | 178.6 | -60.5 | 0 | 0 | 0 | 0 | 110.8 | G10 E11 L12 W13 F17 | G10-C15 WeakPolarHBondContact CA-O 3.5Å; E11-C15 PolarHBondContact N-O 3.4Å; L12-C15 PolarHBondContact O-N 3.5Å; W13-C15 VanDerWaalsContact C-N 3.32Å; W13-C15 PolarHBondContact O-N 3.12Å; C15-F17 VanDerWaalsContact C-N 3.33Å |
| 16 | H | 83.1 | Confident | 81 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -61.3 | -45.7 | 173 | -66.7 | -53.8 | 0 | 0 | 0 | 111 | E11 T744 E751 | E11-H16 PolarHBondContact N-O 3.17Å; E11-H16 VanDerWaalsContact N-O 3.07Å; H16-T744 HydrophobicContact CB-CG2 4.22Å; H16-T744 WeakPolarHBondContact O-CG2 3.34Å; H16-E751 IonicContact CD2-OE2 2.77Å; H16-E751 IonicContact CE1-OE2 2.81Å; H16-E751 IonicContact NE2-OE1 3.97Å; H16-E751 IonicContact NE2-OE2 3.6Å; H16-E751 PolarHBondContact NE2-OE2 3.23Å |
| 17 | F | 88 | Confident | 83.9 | Confident | 33 Ų | 33 | 48 Ų | 48 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -122.1 | 139.6 | 179.3 | -51.9 | -70.7 | 0 | 0 | 0 | 110.5 | C15 T744 L745 A748 R763 Y769 | C15-F17 VanDerWaalsContact C-N 3.33Å; F17-T744 HydrophobicContact CE1-CG2 4.34Å; F17-L745 HydrophobicContact CZ-CD1 4.27Å; F17-A748 HydrophobicContact CE2-CB 3.49Å; F17-A748 VanDerWaalsContact CE2-CB 3.49Å; F17-A748 HydrophobicContact CZ-CB 3.71Å; F17-R763 HydrophobicContact CZ-CG 4.16Å; F17-Y769 HydrophobicContact CE1-CE2 4.33Å |
| 18 | M | 90.3 | Very high | 86.7 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | trans | -68 | 146.5 | 168.5 | -177.1 | 169.9 | -90.7 | 0 | 0 | 109.6 | E11 L12 L22 R40 L91 M96 | E11-M18 HydrophobicContact CB-CB 4.11Å; E11-M18 WeakPolarHBondContact OE2-CB 3.32Å; E11-M18 PolarHBondContact OE2-N 3.49Å; L12-M18 HydrophobicContact CB-CE 4.23Å; L12-M18 HydrophobicContact CD1-CE 4.08Å; L12-M18 HydrophobicContact CD2-CE 4.42Å; L12-M18 HydrophobicContact CG-CE 4.48Å; M18-L22 HydrophobicContact CE-CD1 3.37Å; M18-L22 HydrophobicContact CG-CD1 3.77Å; M18-L22 HydrophobicContact CG-CD2 3.79Å; M18-L22 HydrophobicContact CG-CG 4.34Å; M18-L22 HydrophobicContact SD-CD1 3.38Å; M18-L22 WeakPolarHBondContact SD-CD1 3.49Å; M18-L22 HydrophobicContact SD-CD2 3.47Å; M18-L22 WeakPolarHBondContact SD-CD2 3.33Å; M18-L22 HydrophobicContact SD-CG 4.07Å; M18-R40 HydrophobicContact CB-CB 4.17Å; M18-R40 HydrophobicContact CG-CB 4.03Å; M18-R40 WeakPolarHBondContact O-CD 3.46Å; M18-R40 HydrophobicContact SD-CB 4.02Å; M18-L91 HydrophobicContact CE-CD2 4.35Å; M18-L91 HydrophobicContact CE-CG 4.43Å; M18-L91 HydrophobicContact SD-CD2 3.77Å; M18-L91 HydrophobicContact SD-CG 4.09Å; M18-M96 HydrophobicContact CE-CE 3.28Å; M18-M96 HydrophobicContact SD-CE 4.46Å | ||
| 19 | P | 89.7 | Confident | 88.7 | Confident | 73 Ų | 73 | 47.5 Ų | 47.5 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | trans | -54.6 | 151.2 | 169.4 | -25.4 | 35.6 | 0 | 0 | 0 | 111.8 | E21 R40 | P19-E21 VanDerWaalsContact C-N 3.28Å; P19-E21 WeakPolarHBondContact CB-O 3.39Å; P19-E21 PolarHBondContact O-N 3.16Å; P19-R40 WeakPolarHBondContact O-CB 3.46Å | ||
| 20 | E | 89.2 | Confident | 90.3 | Very high | 143 Ų | 143 | 47.3 Ų | 47.3 | 67% | 0.668 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -58.4 | -41.9 | -179.3 | -69.6 | -173.5 | 168 | 0 | 0 | 112.3 | T39 R40 | E20-T39 CarbonylContact O-C 3.58Å; E20-T39 WeakPolarHBondContact O-CA 3.46Å; E20-R40 PolarHBondContact O-N 3.45Å |
| 21 | E | 92.2 | Very high | 91.1 | Very high | 142 Ų | 142 | 50.6 Ų | 50.6 | 66% | 0.664 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 137.7 | 171.3 | -65.4 | -175 | 172.6 | 0 | 0 | 109.9 | P19 T39 | P19-E21 VanDerWaalsContact C-N 3.28Å; P19-E21 WeakPolarHBondContact CB-O 3.39Å; P19-E21 PolarHBondContact O-N 3.16Å; E21-T39 HydrophobicContact CG-CG2 4.36Å |
| 22 | L | 93.2 | Very high | 91.5 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 11% | 0.105 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 157 | 175.3 | 70.6 | 160.3 | 0 | 0 | 0 | 111.5 | M18 V24 I38 L91 P99 | M18-L22 HydrophobicContact CE-CD1 3.37Å; M18-L22 HydrophobicContact CG-CD1 3.77Å; M18-L22 HydrophobicContact CG-CD2 3.79Å; M18-L22 HydrophobicContact CG-CG 4.34Å; M18-L22 HydrophobicContact SD-CD1 3.38Å; M18-L22 WeakPolarHBondContact SD-CD1 3.49Å; M18-L22 HydrophobicContact SD-CD2 3.47Å; M18-L22 WeakPolarHBondContact SD-CD2 3.33Å; M18-L22 HydrophobicContact SD-CG 4.07Å; L22-V24 HydrophobicContact CD1-CG2 4.12Å; L22-V24 HydrophobicContact CG-CG2 4.07Å; L22-I38 PolarHBondContact N-O 2.95Å; L22-I38 PolarHBondContact O-N 2.7Å; L22-I38 VanDerWaalsContact O-O 3.1Å; L22-L91 HydrophobicContact CD1-CD2 4.22Å; L22-L91 HydrophobicContact CD2-CD2 3.87Å; L22-L91 HydrophobicContact CG-CD2 4.33Å; L22-P99 HydrophobicContact CD1-CB 3.69Å; L22-P99 HydrophobicContact CD1-CG 4.47Å |
| 23 | T | 95.1 | Very high | 91.8 | Very high | 83 Ų | 83 | 55.1 Ų | 55.1 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 126.9 | 169.4 | -51.5 | 0 | 0 | 0 | 0 | 109.6 | A35 L36 | T23-A35 HydrophobicContact CG2-CB 3.81Å; T23-L36 CarbonylContact C-O 3.56Å; T23-L36 WeakPolarHBondContact CA-O 3.35Å |
| 24 | V | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.4 | 175 | -178 | 0 | 0 | 0 | 0 | 108.9 | L22 V26 L36 L91 P99 L101 | L22-V24 HydrophobicContact CD1-CG2 4.12Å; L22-V24 HydrophobicContact CG-CG2 4.07Å; V24-V26 HydrophobicContact CG1-CG2 4.43Å; V24-L36 PolarHBondContact N-O 2.87Å; V24-L36 PolarHBondContact O-N 3.5Å; V24-L91 HydrophobicContact CG2-CD1 4.4Å; V24-L91 HydrophobicContact CG2-CD2 3.57Å; V24-P99 WeakPolarHBondContact CA-O 3.26Å; V24-P99 HydrophobicContact CG2-CB 4.4Å; V24-L101 HydrophobicContact CG1-CB 4.43Å; V24-L101 HydrophobicContact CG1-CD1 3.84Å; V24-L101 HydrophobicContact CG1-CG 3.71Å |
| 25 | D | 97 | Very high | 92.8 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 34% | 0.342 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 122.9 | 174.7 | -71.6 | -28.7 | 0 | 0 | 0 | 109.8 | V33 A35 P99 V100 L101 | D25-V33 HydrophobicContact CB-CG1 3.97Å; D25-A35 WeakPolarHBondContact OD1-CB 3.45Å; D25-P99 PolarHBondContact N-O 2.71Å; D25-P99 VanDerWaalsContact N-O 3.1Å; D25-V100 HydrophobicContact CB-CG2 4.36Å; D25-V100 CarbonylContact O-C 3.45Å; D25-V100 VanDerWaalsContact O-CA 3.29Å; D25-V100 WeakPolarHBondContact O-CA 3.49Å; D25-L101 PolarHBondContact O-N 3.09Å |
| 26 | V | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.9 | 178.6 | -168.9 | 0 | 0 | 0 | 0 | 110.9 | V24 M28 V33 I34 L36 L51 F72 L101 | V24-V26 HydrophobicContact CG1-CG2 4.43Å; V26-M28 HydrophobicContact CG1-SD 4.22Å; V26-M28 PolarHBondContact O-N 3.31Å; V26-V33 WeakPolarHBondContact O-CA 3.37Å; V26-I34 PolarHBondContact N-O 3.48Å; V26-I34 PolarHBondContact O-N 2.96Å; V26-L36 HydrophobicContact CG2-CD1 3.99Å; V26-L36 HydrophobicContact CG2-CG 4.44Å; V26-L51 HydrophobicContact CB-CD1 3.66Å; V26-L51 HydrophobicContact CB-CD2 4.43Å; V26-L51 HydrophobicContact CG1-CD1 3.75Å; V26-L51 HydrophobicContact CG1-CD2 3.6Å; V26-L51 HydrophobicContact CG1-CG 4.31Å; V26-L51 HydrophobicContact CG2-CD1 3.97Å; V26-F72 HydrophobicContact CG1-CE1 4.33Å; V26-L101 CarbonylContact C-O 3.53Å; V26-L101 WeakPolarHBondContact CA-O 3.41Å; V26-L101 HydrophobicContact CG1-CB 4.28Å; V26-L101 HydrophobicContact CG2-CB 4.28Å; V26-L101 HydrophobicContact CG2-CD1 4.48Å |
| 27 | L | 97.2 | Very high | 94 | Very high | 70 Ų | 70 | 51.7 Ų | 51.7 | 37% | 0.366 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 112.5 | 176 | -48.8 | -179.8 | 0 | 0 | 0 | 109.5 | V33 V100 L101 C102 L103 | L27-V33 HydrophobicContact CD2-CB 4.4Å; L27-V33 HydrophobicContact CD2-CG1 4.08Å; L27-V33 HydrophobicContact CD2-CG2 3.57Å; L27-V100 HydrophobicContact CD1-CG1 4.01Å; L27-V100 HydrophobicContact CD2-CG1 4.45Å; L27-V100 HydrophobicContact CG-CG1 3.96Å; L27-L101 PolarHBondContact N-O 2.89Å; L27-C102 HydrophobicContact CB-CB 4.27Å; L27-C102 HydrophobicContact CD1-CB 4.31Å; L27-L103 PolarHBondContact O-N 3.3Å |
| 28 | M | 95.6 | Very high | 94.2 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | trans | -89.6 | 151.1 | -174.8 | -63.3 | -65.1 | -76.5 | 0 | 0 | 112.4 | V26 N30 G31 L32 I34 L51 A55 L64 L103 | V26-M28 HydrophobicContact CG1-SD 4.22Å; V26-M28 PolarHBondContact O-N 3.31Å; M28-N30 WeakPolarHBondContact CB-OD1 3.38Å; M28-N30 PolarHBondContact O-N 3.47Å; M28-N30 VanDerWaalsContact O-N 3.13Å; M28-G31 PolarHBondContact O-N 2.93Å; M28-L32 HydrophobicContact CB-CB 4.44Å; M28-L32 WeakPolarHBondContact CB-O 3.33Å; M28-L32 PolarHBondContact N-O 2.61Å; M28-I34 HydrophobicContact CE-CD1 4.33Å; M28-I34 HydrophobicContact CG-CD1 3.89Å; M28-I34 HydrophobicContact CG-CG1 4.07Å; M28-I34 HydrophobicContact SD-CD1 4.24Å; M28-L51 HydrophobicContact CE-CD1 4.49Å; M28-L51 HydrophobicContact CE-CD2 4.32Å; M28-L51 HydrophobicContact CE-CG 4.21Å; M28-L51 HydrophobicContact SD-CD1 3.65Å; M28-L51 HydrophobicContact SD-CD2 3.64Å; M28-L51 HydrophobicContact SD-CG 3.77Å; M28-A55 HydrophobicContact CE-CB 3.86Å; M28-L64 HydrophobicContact CE-CD1 3.59Å; M28-L64 HydrophobicContact CE-CD2 4.49Å; M28-L103 HydrophobicContact CE-CD2 4.09Å; M28-L103 HydrophobicContact SD-CD2 3.96Å | ||
| 29 | P | 93.8 | Very high | 94.4 | Very high | 60 Ų | 60 | 53 Ų | 53 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.6 | 177.5 | -22.2 | 29.8 | 0 | 0 | 0 | 114.3 | G31 L64 Y70 L103 | P29-G31 PolarHBondContact O-N 3.17Å; P29-L64 HydrophobicContact CB-CD2 4.11Å; P29-L64 HydrophobicContact CG-CD2 4.13Å; P29-Y70 HydrophobicContact CB-CE1 3.89Å; P29-Y70 HydrophobicContact CG-CD1 3.67Å; P29-Y70 HydrophobicContact CG-CE1 3.34Å; P29-Y70 HydrophobicContact CG-CG 4.47Å; P29-L103 HydrophobicContact CG-CD2 4.14Å; P29-L103 HydrophobicContact CG-CG 4.31Å; P29-L103 WeakPolarHBondContact CG-O 3.4Å |
| 30 | N | 93.4 | Very high | 94.5 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 10% | 0.096 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 5.8 | 177.4 | 64.7 | 0.1 | 0 | 0 | 0 | 113.8 | M28 L32 L60 I63 L64 | M28-N30 WeakPolarHBondContact CB-OD1 3.38Å; M28-N30 PolarHBondContact O-N 3.47Å; M28-N30 VanDerWaalsContact O-N 3.13Å; N30-L32 WeakPolarHBondContact OD1-CB 3.47Å; N30-L32 PolarHBondContact OD1-N 3.38Å; N30-L60 HydrophobicContact CB-CB 4.19Å; N30-L60 PolarHBondContact ND2-O 3.14Å; N30-I63 HydrophobicContact CB-CD1 3.43Å; N30-I63 VanDerWaalsContact CB-CD1 3.43Å; N30-I63 HydrophobicContact CB-CG1 3.73Å; N30-L64 HydrophobicContact CB-CD2 3.88Å; N30-L64 HydrophobicContact CB-CG 4.39Å |
| 31 | G | 93.2 | Very high | 94.6 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 71% | 0.711 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 86.2 | 2.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M28 P29 | M28-G31 PolarHBondContact O-N 2.93Å; P29-G31 PolarHBondContact O-N 3.17Å |
| 32 | L | 94.6 | Very high | 94.7 | Very high | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | trans | -86.1 | 156.6 | 175.5 | -64.4 | -176.3 | 0 | 0 | 0 | 112.4 | M28 N30 M58 P59 | M28-L32 HydrophobicContact CB-CB 4.44Å; M28-L32 WeakPolarHBondContact CB-O 3.33Å; M28-L32 PolarHBondContact N-O 2.61Å; N30-L32 WeakPolarHBondContact OD1-CB 3.47Å; N30-L32 PolarHBondContact OD1-N 3.38Å; L32-M58 HydrophobicContact CD1-CB 3.81Å; L32-M58 HydrophobicContact CD1-CE 4.48Å; L32-P59 WeakPolarHBondContact CD1-O 3.18Å | ||
| 33 | V | 96.2 | Very high | 94.8 | Very high | 80 Ų | 80 | 39.4 Ų | 39.4 | 49% | 0.485 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.4 | 168.4 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | D25 V26 L27 | D25-V33 HydrophobicContact CB-CG1 3.97Å; V26-V33 WeakPolarHBondContact O-CA 3.37Å; L27-V33 HydrophobicContact CD2-CB 4.4Å; L27-V33 HydrophobicContact CD2-CG1 4.08Å; L27-V33 HydrophobicContact CD2-CG2 3.57Å |
| 34 | I | 95.8 | Very high | 94.7 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 115.4 | 177 | -58.6 | 178.8 | 0 | 0 | 0 | 107.8 | V26 M28 L36 L51 E54 A55 M58 | V26-I34 PolarHBondContact N-O 3.48Å; V26-I34 PolarHBondContact O-N 2.96Å; M28-I34 HydrophobicContact CE-CD1 4.33Å; M28-I34 HydrophobicContact CG-CD1 3.89Å; M28-I34 HydrophobicContact CG-CG1 4.07Å; M28-I34 HydrophobicContact SD-CD1 4.24Å; I34-L36 HydrophobicContact CG2-CD2 3.8Å; I34-L36 HydrophobicContact CG2-CG 4.14Å; I34-L51 HydrophobicContact CB-CD1 3.96Å; I34-L51 HydrophobicContact CD1-CD1 4.03Å; I34-L51 HydrophobicContact CG2-CD1 4.14Å; I34-E54 HydrophobicContact CG2-CB 4.15Å; I34-E54 HydrophobicContact CG2-CG 3.82Å; I34-A55 HydrophobicContact CD1-CB 3.76Å; I34-M58 HydrophobicContact CD1-CG 4.26Å |
| 35 | A | 95.9 | Very high | 94.7 | Very high | 61 Ų | 61 | 39.9 Ų | 39.9 | 50% | 0.504 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 120.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | T23 D25 | T23-A35 HydrophobicContact CG2-CB 3.81Å; D25-A35 WeakPolarHBondContact OD1-CB 3.45Å |
| 36 | L | 95.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 41.6 Ų | 41.6 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129.9 | 179.2 | -63.2 | 177 | 0 | 0 | 0 | 110.2 | T23 V24 V26 I34 I38 V47 L51 E54 | T23-L36 CarbonylContact C-O 3.56Å; T23-L36 WeakPolarHBondContact CA-O 3.35Å; V24-L36 PolarHBondContact N-O 2.87Å; V24-L36 PolarHBondContact O-N 3.5Å; V26-L36 HydrophobicContact CG2-CD1 3.99Å; V26-L36 HydrophobicContact CG2-CG 4.44Å; I34-L36 HydrophobicContact CG2-CD2 3.8Å; I34-L36 HydrophobicContact CG2-CG 4.14Å; L36-I38 HydrophobicContact CB-CD1 3.58Å; L36-I38 HydrophobicContact CB-CG1 3.67Å; L36-I38 HydrophobicContact CD1-CD1 3.88Å; L36-I38 HydrophobicContact CG-CD1 4.4Å; L36-V47 HydrophobicContact CD1-CG1 4.37Å; L36-L51 HydrophobicContact CD1-CB 3.82Å; L36-L51 HydrophobicContact CD1-CD1 3.83Å; L36-L51 HydrophobicContact CD1-CG 4.45Å; L36-L51 HydrophobicContact CG-CD1 4.46Å; L36-E54 HydrophobicContact CD2-CB 4.22Å |
| 37 | S | 94.5 | Very high | 94.5 | Very high | 91 Ų | 91 | 41.6 Ų | 41.6 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 115.8 | 167.4 | -167.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 38 | I | 94 | Very high | 94.4 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.9 | -170 | -57.9 | -169.9 | 0 | 0 | 0 | 109.1 | L22 L36 S42 V47 | L22-I38 PolarHBondContact N-O 2.95Å; L22-I38 PolarHBondContact O-N 2.7Å; L22-I38 VanDerWaalsContact O-O 3.1Å; L36-I38 HydrophobicContact CB-CD1 3.58Å; L36-I38 HydrophobicContact CB-CG1 3.67Å; L36-I38 HydrophobicContact CD1-CD1 3.88Å; L36-I38 HydrophobicContact CG-CD1 4.4Å; I38-S42 WeakPolarHBondContact CG2-OG 3.44Å; I38-V47 HydrophobicContact CD1-CB 4.06Å; I38-V47 HydrophobicContact CD1-CG1 3.65Å; I38-V47 HydrophobicContact CD1-CG2 3.74Å; I38-V47 HydrophobicContact CG2-CG2 4.13Å |
| 39 | T | 93.8 | Very high | 94.4 | Very high | 60 Ų | 60 | 43 Ų | 43 | 37% | 0.368 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 148.9 | 172.5 | 66.6 | 0 | 0 | 0 | 0 | 111.4 | E20 E21 D41 S42 | E20-T39 CarbonylContact O-C 3.58Å; E20-T39 WeakPolarHBondContact O-CA 3.46Å; E21-T39 HydrophobicContact CG-CG2 4.36Å; T39-D41 PolarHBondContact O-N 3.49Å; T39-S42 VanDerWaalsContact O-CB 3.3Å; T39-S42 WeakPolarHBondContact O-CB 3.33Å; T39-S42 PolarHBondContact O-N 2.83Å; T39-S42 PolarHBondContact O-OG 3.45Å; T39-S42 PolarHBondContact OG1-OG 3.36Å |
| 40 | R | 92.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.011 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.5 | 178.9 | 66.1 | 177.8 | -75.9 | -83.6 | 3.4 | 114.5 | E11 M18 P19 E20 C92 D768 | E11-R40 IonicContact OE1-CZ 3.28Å; E11-R40 IonicContact OE1-NH2 3.46Å; E11-R40 PolarHBondContact OE1-NH2 3.26Å; E11-R40 IonicContact OE2-CZ 3.53Å; E11-R40 IonicContact OE2-NE 3.93Å; E11-R40 PolarHBondContact OE2-NE 2.86Å; E11-R40 VanDerWaalsContact OE2-NE 3.08Å; E11-R40 IonicContact OE2-NH2 2.76Å; E11-R40 PolarHBondContact OE2-NH2 3.32Å; M18-R40 HydrophobicContact CB-CB 4.17Å; M18-R40 HydrophobicContact CG-CB 4.03Å; M18-R40 WeakPolarHBondContact O-CD 3.46Å; M18-R40 HydrophobicContact SD-CB 4.02Å; P19-R40 WeakPolarHBondContact O-CB 3.46Å; E20-R40 PolarHBondContact O-N 3.45Å; R40-C92 HydrophobicContact CB-CB 4.29Å; R40-C92 PolarHBondContact O-N 3.14Å; R40-C92 VanDerWaalsContact O-N 3.08Å; R40-C92 PolarHBondContact O-SG 3.33Å; R40-D768 IonicContact CZ-OD2 2.81Å; R40-D768 IonicContact NH1-OD1 3.7Å; R40-D768 PolarHBondContact NH1-OD1 3.3Å; R40-D768 IonicContact NH1-OD2 3Å; R40-D768 IonicContact NH2-OD1 3.66Å; R40-D768 IonicContact NH2-OD2 3.94Å; R40-D768 PolarHBondContact NH2-OD2 3.02Å |
| 41 | D | 91.2 | Very high | 94.5 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.1 | -179.5 | -74.4 | -61.4 | 0 | 0 | 0 | 114.1 | T39 T43 R90 | T39-D41 PolarHBondContact O-N 3.49Å; D41-T43 PolarHBondContact O-N 3.21Å; D41-R90 WeakPolarHBondContact O-CG 3.18Å; D41-R90 IonicContact OD1-NH1 3.82Å; D41-R90 PolarHBondContact OD1-NH1 3.22Å |
| 42 | S | 93.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | trans | -63.9 | 130.2 | 179.1 | -67.3 | 0 | 0 | 0 | 0 | 111.1 | I38 T39 R90 L91 | I38-S42 WeakPolarHBondContact CG2-OG 3.44Å; T39-S42 VanDerWaalsContact O-CB 3.3Å; T39-S42 WeakPolarHBondContact O-CB 3.33Å; T39-S42 PolarHBondContact O-N 2.83Å; T39-S42 PolarHBondContact O-OG 3.45Å; T39-S42 PolarHBondContact OG1-OG 3.36Å; S42-R90 WeakPolarHBondContact O-CA 3.41Å; S42-L91 PolarHBondContact O-N 3.11Å | ||
| 43 | T | 94.7 | Very high | 94.6 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 17% | 0.172 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -72 | 151.5 | 173.4 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | D41 Q45 M46 V47 R88 R89 R90 | D41-T43 PolarHBondContact O-N 3.21Å; T43-Q45 PolarHBondContact O-N 3.5Å; T43-M46 HydrophobicContact CG2-SD 4.42Å; T43-M46 WeakPolarHBondContact O-CA 3.48Å; T43-M46 WeakPolarHBondContact O-CB 3.4Å; T43-M46 PolarHBondContact O-N 2.98Å; T43-M46 VanDerWaalsContact OG1-CG 3.29Å; T43-M46 WeakPolarHBondContact OG1-CG 3.39Å; T43-M46 PolarHBondContact OG1-N 2.92Å; T43-M46 PolarHBondContact OG1-SD 3.37Å; T43-V47 WeakPolarHBondContact O-CG2 3.35Å; T43-V47 PolarHBondContact O-N 3.16Å; T43-R88 WeakPolarHBondContact CG2-O 3.46Å; T43-R89 CarbonylContact C-O 3.5Å; T43-R89 WeakPolarHBondContact CA-O 3.26Å; T43-R90 HydrophobicContact CG2-CG 4.26Å |
| 44 | L | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -30.7 | 175.3 | -73.5 | 178.9 | 0 | 0 | 0 | 112.6 | V47 K48 F72 I84 E87 R89 L94 L101 | L44-V47 PolarHBondContact O-N 2.92Å; L44-K48 VanDerWaalsContact O-CB 3.31Å; L44-K48 WeakPolarHBondContact O-CB 3.23Å; L44-K48 PolarHBondContact O-N 3.42Å; L44-F72 HydrophobicContact CB-CD2 3.89Å; L44-F72 HydrophobicContact CB-CE2 3.99Å; L44-F72 HydrophobicContact CD1-CB 4.37Å; L44-F72 HydrophobicContact CD1-CD2 4.08Å; L44-F72 HydrophobicContact CD2-CD2 3.77Å; L44-F72 HydrophobicContact CD2-CE2 4.09Å; L44-F72 HydrophobicContact CD2-CG 4.13Å; L44-F72 HydrophobicContact CG-CD2 4.14Å; L44-F72 WeakPolarHBondContact O-CE2 3.41Å; L44-I84 HydrophobicContact CD1-CB 3.92Å; L44-I84 HydrophobicContact CD1-CD1 3.95Å; L44-I84 HydrophobicContact CD1-CG2 3.44Å; L44-I84 VanDerWaalsContact CD1-CG2 3.44Å; L44-E87 HydrophobicContact CB-CB 4.29Å; L44-E87 HydrophobicContact CB-CG 4.49Å; L44-E87 PolarHBondContact N-O 3.37Å; L44-R89 PolarHBondContact N-O 3.34Å; L44-L94 HydrophobicContact CD1-CD1 4.14Å; L44-L94 HydrophobicContact CD1-CD2 4.27Å; L44-L94 HydrophobicContact CD2-CD1 3.8Å; L44-L94 HydrophobicContact CG-CD1 4.16Å; L44-L101 HydrophobicContact CD2-CD1 4.11Å; L44-L101 HydrophobicContact CD2-CD2 4.44Å |
| 45 | Q | 94.2 | Very high | 94.4 | Very high | 93 Ų | 93 | 41.9 Ų | 41.9 | 44% | 0.435 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.2 | -49.5 | 171.3 | -174.8 | -178 | -21.9 | 0 | 0 | 111.4 | T43 K48 E49 E87 | T43-Q45 PolarHBondContact O-N 3.5Å; Q45-K48 WeakPolarHBondContact O-CB 3.31Å; Q45-K48 PolarHBondContact O-N 2.88Å; Q45-E49 PolarHBondContact NE2-OE1 3.35Å; Q45-E49 WeakPolarHBondContact O-CG 3.23Å; Q45-E49 PolarHBondContact O-N 3.04Å; Q45-E87 HydrophobicContact CB-CB 4.24Å; Q45-E87 PolarHBondContact N-O 3.29Å |
| 46 | M | 94.6 | Very high | 94.2 | Very high | 99 Ų | 99 | 44.7 Ų | 44.7 | 49% | 0.488 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.2 | -42 | 176.2 | -69.2 | 164.8 | 167.3 | 0 | 0 | 111.9 | T43 K48 E49 N50 | T43-M46 HydrophobicContact CG2-SD 4.42Å; T43-M46 WeakPolarHBondContact O-CA 3.48Å; T43-M46 WeakPolarHBondContact O-CB 3.4Å; T43-M46 PolarHBondContact O-N 2.98Å; T43-M46 VanDerWaalsContact OG1-CG 3.29Å; T43-M46 WeakPolarHBondContact OG1-CG 3.39Å; T43-M46 PolarHBondContact OG1-N 2.92Å; T43-M46 PolarHBondContact OG1-SD 3.37Å; M46-K48 VanDerWaalsContact C-N 3.28Å; M46-K48 PolarHBondContact O-N 3.25Å; M46-E49 PolarHBondContact O-N 3.33Å; M46-N50 PolarHBondContact O-N 3.24Å |
| 47 | V | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57 | -45.2 | 174.5 | 177 | 0 | 0 | 0 | 0 | 110.2 | L36 I38 T43 L44 N50 L51 F72 L101 | L36-V47 HydrophobicContact CD1-CG1 4.37Å; I38-V47 HydrophobicContact CD1-CB 4.06Å; I38-V47 HydrophobicContact CD1-CG1 3.65Å; I38-V47 HydrophobicContact CD1-CG2 3.74Å; I38-V47 HydrophobicContact CG2-CG2 4.13Å; T43-V47 WeakPolarHBondContact O-CG2 3.35Å; T43-V47 PolarHBondContact O-N 3.16Å; L44-V47 PolarHBondContact O-N 2.92Å; V47-N50 PolarHBondContact O-N 3Å; V47-L51 WeakPolarHBondContact O-CB 3.33Å; V47-L51 PolarHBondContact O-N 2.64Å; V47-F72 HydrophobicContact CB-CZ 4.43Å; V47-F72 HydrophobicContact CG1-CE1 4.45Å; V47-F72 HydrophobicContact CG1-CZ 4.03Å; V47-L101 HydrophobicContact CG1-CD1 3.77Å |
| 48 | K | 95.7 | Very high | 94 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66 | -42 | 179.9 | -164.3 | 178.5 | -75.8 | -169.7 | 0 | 112.4 | L44 Q45 M46 L51 W52 P67 Y70 F72 E87 | L44-K48 VanDerWaalsContact O-CB 3.31Å; L44-K48 WeakPolarHBondContact O-CB 3.23Å; L44-K48 PolarHBondContact O-N 3.42Å; Q45-K48 WeakPolarHBondContact O-CB 3.31Å; Q45-K48 PolarHBondContact O-N 2.88Å; M46-K48 VanDerWaalsContact C-N 3.28Å; M46-K48 PolarHBondContact O-N 3.25Å; K48-L51 WeakPolarHBondContact O-CB 3.12Å; K48-L51 PolarHBondContact O-N 3.21Å; K48-W52 HydrophobicContact CD-CE3 4.47Å; K48-W52 HydrophobicContact CD-CZ3 4.03Å; K48-W52 HydrophobicContact CG-CE3 3.61Å; K48-W52 HydrophobicContact CG-CZ3 3.48Å; K48-W52 VanDerWaalsContact CG-CZ3 3.48Å; K48-W52 PolarHBondContact O-N 3.26Å; K48-P67 HydrophobicContact CD-CB 3.87Å; K48-P67 HydrophobicContact CG-CB 4.25Å; K48-P67 PolarHBondContact NZ-O 3.01Å; K48-P67 VanDerWaalsContact NZ-O 3.08Å; K48-Y70 PolarHBondContact NZ-O 3.27Å; K48-F72 HydrophobicContact CB-CE2 3.84Å; K48-F72 HydrophobicContact CB-CZ 3.87Å; K48-F72 HydrophobicContact CG-CE2 4.33Å; K48-F72 HydrophobicContact CG-CZ 4.25Å; K48-E87 WeakPolarHBondContact CE-OE1 3.35Å; K48-E87 WeakPolarHBondContact CE-OE2 3.48Å; K48-E87 IonicContact NZ-OE1 2.83Å; K48-E87 PolarHBondContact NZ-OE1 3.17Å; K48-E87 IonicContact NZ-OE2 3.02Å; K48-E87 PolarHBondContact NZ-OE2 3.25Å |
| 49 | E | 94.5 | Very high | 93.9 | Very high | 103 Ų | 103 | 55.8 Ų | 55.8 | 48% | 0.481 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 175.8 | -73.4 | 172.6 | -167.1 | 0 | 0 | 111.2 | Q45 M46 W52 N53 | Q45-E49 PolarHBondContact NE2-OE1 3.35Å; Q45-E49 WeakPolarHBondContact O-CG 3.23Å; Q45-E49 PolarHBondContact O-N 3.04Å; M46-E49 PolarHBondContact O-N 3.33Å; E49-W52 PolarHBondContact O-N 2.85Å; E49-N53 PolarHBondContact O-N 3.42Å; E49-N53 VanDerWaalsContact O-N 3.12Å; E49-N53 PolarHBondContact O-ND2 2.92Å |
| 50 | N | 94.2 | Very high | 93.9 | Very high | 75 Ų | 75 | 57.5 Ų | 57.5 | 40% | 0.401 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 176.1 | -72.1 | -13 | 0 | 0 | 0 | 112.1 | M46 V47 W52 N53 E54 | M46-N50 PolarHBondContact O-N 3.24Å; V47-N50 PolarHBondContact O-N 3Å; N50-W52 PolarHBondContact O-N 3.24Å; N50-N53 PolarHBondContact O-N 3.44Å; N50-E54 PolarHBondContact O-N 2.82Å |
| 51 | L | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -45 | 176.8 | -177.5 | 67.9 | 0 | 0 | 0 | 112 | V26 M28 I34 L36 V47 K48 N53 E54 A55 F72 L103 | V26-L51 HydrophobicContact CB-CD1 3.66Å; V26-L51 HydrophobicContact CB-CD2 4.43Å; V26-L51 HydrophobicContact CG1-CD1 3.75Å; V26-L51 HydrophobicContact CG1-CD2 3.6Å; V26-L51 HydrophobicContact CG1-CG 4.31Å; V26-L51 HydrophobicContact CG2-CD1 3.97Å; M28-L51 HydrophobicContact CE-CD1 4.49Å; M28-L51 HydrophobicContact CE-CD2 4.32Å; M28-L51 HydrophobicContact CE-CG 4.21Å; M28-L51 HydrophobicContact SD-CD1 3.65Å; M28-L51 HydrophobicContact SD-CD2 3.64Å; M28-L51 HydrophobicContact SD-CG 3.77Å; I34-L51 HydrophobicContact CB-CD1 3.96Å; I34-L51 HydrophobicContact CD1-CD1 4.03Å; I34-L51 HydrophobicContact CG2-CD1 4.14Å; L36-L51 HydrophobicContact CD1-CB 3.82Å; L36-L51 HydrophobicContact CD1-CD1 3.83Å; L36-L51 HydrophobicContact CD1-CG 4.45Å; L36-L51 HydrophobicContact CG-CD1 4.46Å; V47-L51 WeakPolarHBondContact O-CB 3.33Å; V47-L51 PolarHBondContact O-N 2.64Å; K48-L51 WeakPolarHBondContact O-CB 3.12Å; K48-L51 PolarHBondContact O-N 3.21Å; L51-N53 VanDerWaalsContact C-N 3.33Å; L51-N53 PolarHBondContact O-N 3.04Å; L51-E54 PolarHBondContact O-N 2.93Å; L51-A55 WeakPolarHBondContact O-CB 3.24Å; L51-A55 PolarHBondContact O-N 2.78Å; L51-F72 HydrophobicContact CD2-CE1 4.23Å; L51-F72 HydrophobicContact CD2-CZ 4.42Å; L51-L103 HydrophobicContact CD2-CD2 4.13Å |
| 52 | W | 95.2 | Very high | 94 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 8% | 0.08 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.3 | -31.5 | 178.9 | -108.2 | -101.5 | 0 | 0 | 0 | 112.7 | K48 E49 N50 K56 P67 Y70 L103 | K48-W52 HydrophobicContact CD-CE3 4.47Å; K48-W52 HydrophobicContact CD-CZ3 4.03Å; K48-W52 HydrophobicContact CG-CE3 3.61Å; K48-W52 HydrophobicContact CG-CZ3 3.48Å; K48-W52 VanDerWaalsContact CG-CZ3 3.48Å; K48-W52 PolarHBondContact O-N 3.26Å; E49-W52 PolarHBondContact O-N 2.85Å; N50-W52 PolarHBondContact O-N 3.24Å; W52-K56 VanDerWaalsContact O-CG 3.27Å; W52-K56 WeakPolarHBondContact O-CG 3.32Å; W52-K56 PolarHBondContact O-N 2.65Å; W52-P67 HydrophobicContact CD2-CB 3.77Å; W52-P67 HydrophobicContact CD2-CG 4.5Å; W52-P67 HydrophobicContact CE3-CB 4.01Å; W52-P67 HydrophobicContact CG-CB 4.31Å; W52-P67 HydrophobicContact CH2-CB 4.04Å; W52-P67 HydrophobicContact CZ2-CB 3.88Å; W52-P67 HydrophobicContact CZ3-CB 4.12Å; W52-Y70 AromaticContact CH2-CD2 3.48Å; W52-Y70 HydrophobicContact CH2-CD2 3.48Å; W52-Y70 VanDerWaalsContact CH2-CD2 3.48Å; W52-Y70 HydrophobicContact CH2-CE2 4.14Å; W52-Y70 HydrophobicContact CH2-CG 4.21Å; W52-Y70 AromaticContact CZ2-CD2 3.61Å; W52-Y70 HydrophobicContact CZ2-CD2 3.61Å; W52-Y70 AromaticContact CZ2-CE2 3.86Å; W52-Y70 HydrophobicContact CZ2-CE2 3.86Å; W52-L103 HydrophobicContact CH2-CD1 4.31Å; W52-L103 HydrophobicContact CH2-CD2 3.33Å; W52-L103 HydrophobicContact CH2-CG 4.35Å; W52-L103 HydrophobicContact CZ2-CD2 4.39Å; W52-L103 HydrophobicContact CZ3-CD1 4.22Å; W52-L103 HydrophobicContact CZ3-CD2 3.5Å; W52-L103 VanDerWaalsContact CZ3-CD2 3.5Å; W52-L103 HydrophobicContact CZ3-CG 4.5Å |
| 53 | N | 93.6 | Very high | 93.9 | Very high | 87 Ų | 87 | 68.1 Ų | 68.1 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 174 | -72.9 | -29 | 0 | 0 | 0 | 111.8 | E49 N50 L51 | E49-N53 PolarHBondContact O-N 3.42Å; E49-N53 VanDerWaalsContact O-N 3.12Å; E49-N53 PolarHBondContact O-ND2 2.92Å; N50-N53 PolarHBondContact O-N 3.44Å; L51-N53 VanDerWaalsContact C-N 3.33Å; L51-N53 PolarHBondContact O-N 3.04Å |
| 54 | E | 93.5 | Very high | 93.8 | Very high | 65 Ų | 65 | 67.9 Ų | 67.9 | 30% | 0.304 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -77.2 | -41 | 177.2 | -163.6 | 55.6 | -151.9 | 0 | 0 | 112.1 | I34 L36 N50 L51 K56 R57 | I34-E54 HydrophobicContact CG2-CB 4.15Å; I34-E54 HydrophobicContact CG2-CG 3.82Å; L36-E54 HydrophobicContact CD2-CB 4.22Å; N50-E54 PolarHBondContact O-N 2.82Å; L51-E54 PolarHBondContact O-N 2.93Å; E54-K56 PolarHBondContact O-N 2.86Å; E54-R57 WeakPolarHBondContact O-CB 3.47Å; E54-R57 PolarHBondContact O-N 3.43Å; E54-R57 IonicContact OE2-CZ 3.79Å; E54-R57 IonicContact OE2-NH1 2.91Å; E54-R57 PolarHBondContact OE2-NH1 2.82Å |
| 55 | A | 94 | Very high | 93.6 | Very high | 2 Ų | 2 | 72.5 Ų | 72.5 | 2% | 0.017 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.5 | -32.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M28 I34 L51 R57 M58 F61 L64 | M28-A55 HydrophobicContact CE-CB 3.86Å; I34-A55 HydrophobicContact CD1-CB 3.76Å; L51-A55 WeakPolarHBondContact O-CB 3.24Å; L51-A55 PolarHBondContact O-N 2.78Å; A55-R57 PolarHBondContact O-N 2.84Å; A55-R57 VanDerWaalsContact O-N 3.12Å; A55-M58 PolarHBondContact O-N 3.31Å; A55-F61 HydrophobicContact CB-CD2 3.99Å; A55-F61 HydrophobicContact CB-CE2 4.16Å; A55-F61 WeakPolarHBondContact O-CD2 3.27Å; A55-L64 HydrophobicContact CB-CD1 4.3Å |
| 56 | K | 93.4 | Very high | 93.4 | Very high | 121 Ų | 121 | 69.8 Ų | 69.8 | 53% | 0.526 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25 | 175 | -78.5 | 167.3 | -172 | 170.4 | 0 | 113.6 | W52 E54 F61 | W52-K56 VanDerWaalsContact O-CG 3.27Å; W52-K56 WeakPolarHBondContact O-CG 3.32Å; W52-K56 PolarHBondContact O-N 2.65Å; E54-K56 PolarHBondContact O-N 2.86Å; K56-F61 HydrophobicContact CB-CE2 4.36Å; K56-F61 HydrophobicContact CB-CZ 4.37Å; K56-F61 HydrophobicContact CG-CD1 4.48Å; K56-F61 HydrophobicContact CG-CD2 4.36Å; K56-F61 HydrophobicContact CG-CE1 3.84Å; K56-F61 HydrophobicContact CG-CE2 3.69Å; K56-F61 HydrophobicContact CG-CZ 3.4Å |
| 57 | R | 93 | Very high | 93.2 | Very high | 191 Ų | 191 | 67.9 Ų | 67.9 | 72% | 0.721 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -7.3 | -178.6 | -58 | 173.9 | -179.9 | 162.1 | -4.4 | 112.8 | E54 A55 | E54-R57 WeakPolarHBondContact O-CB 3.47Å; E54-R57 PolarHBondContact O-N 3.43Å; E54-R57 IonicContact OE2-CZ 3.79Å; E54-R57 IonicContact OE2-NH1 2.91Å; E54-R57 PolarHBondContact OE2-NH1 2.82Å; A55-R57 PolarHBondContact O-N 2.84Å; A55-R57 VanDerWaalsContact O-N 3.12Å |
| 58 | M | 91.8 | Very high | 92.8 | Very high | 66 Ų | 66 | 73.3 Ų | 73.3 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -98.3 | 155.7 | -172.8 | -62.5 | -65.6 | -83.7 | 0 | 0 | 111.8 | L32 I34 A55 | L32-M58 HydrophobicContact CD1-CB 3.81Å; L32-M58 HydrophobicContact CD1-CE 4.48Å; I34-M58 HydrophobicContact CD1-CG 4.26Å; A55-M58 PolarHBondContact O-N 3.31Å |
| 59 | P | 92.5 | Very high | 92.6 | Very high | 89 Ų | 89 | 74.8 Ų | 74.8 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 157.3 | 172.4 | -24.2 | 34.3 | 0 | 0 | 0 | 112.2 | L32 F61 | L32-P59 WeakPolarHBondContact CD1-O 3.18Å; P59-F61 PolarHBondContact O-N 3.05Å; P59-F61 VanDerWaalsContact O-N 3.11Å |
| 60 | L | 93.3 | Very high | 92.4 | Very high | 96 Ų | 96 | 70.5 Ų | 70.5 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 24.9 | 175.1 | -48.5 | 175.8 | 0 | 0 | 0 | 113.8 | N30 S62 I63 | N30-L60 HydrophobicContact CB-CB 4.19Å; N30-L60 PolarHBondContact ND2-O 3.14Å; L60-S62 VanDerWaalsContact C-N 3.28Å; L60-S62 PolarHBondContact O-N 2.85Å; L60-I63 HydrophobicContact CB-CD1 4.19Å; L60-I63 HydrophobicContact CB-CG1 4.09Å; L60-I63 WeakPolarHBondContact O-CG1 3.33Å |
| 61 | F | 93 | Very high | 92.4 | Very high | 67 Ų | 67 | 67.5 Ų | 67.5 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -64.6 | -34.6 | 173.2 | 179.7 | -104.6 | 0 | 0 | 0 | 112 | A55 K56 P59 I63 L64 | A55-F61 HydrophobicContact CB-CD2 3.99Å; A55-F61 HydrophobicContact CB-CE2 4.16Å; A55-F61 WeakPolarHBondContact O-CD2 3.27Å; K56-F61 HydrophobicContact CB-CE2 4.36Å; K56-F61 HydrophobicContact CB-CZ 4.37Å; K56-F61 HydrophobicContact CG-CD1 4.48Å; K56-F61 HydrophobicContact CG-CD2 4.36Å; K56-F61 HydrophobicContact CG-CE1 3.84Å; K56-F61 HydrophobicContact CG-CE2 3.69Å; K56-F61 HydrophobicContact CG-CZ 3.4Å; P59-F61 PolarHBondContact O-N 3.05Å; P59-F61 VanDerWaalsContact O-N 3.11Å; F61-I63 PolarHBondContact O-N 3.11Å; F61-I63 VanDerWaalsContact O-N 3.09Å; F61-L64 HydrophobicContact CD2-CD1 3.94Å; F61-L64 HydrophobicContact CE2-CD1 4.33Å; F61-L64 WeakPolarHBondContact O-CB 3.22Å; F61-L64 PolarHBondContact O-N 2.85Å |
| 62 | S | 91.9 | Very high | 92.3 | Very high | 112 Ų | 112 | 67.5 Ų | 67.5 | 78% | 0.783 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -63.6 | -15.1 | -176.9 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | L60 | L60-S62 VanDerWaalsContact C-N 3.28Å; L60-S62 PolarHBondContact O-N 2.85Å |
| 63 | I | 92.9 | Very high | 92.2 | Very high | 107 Ų | 107 | 67.7 Ų | 67.7 | 55% | 0.549 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -92.5 | -6.4 | 176.1 | 60.6 | 159 | 0 | 0 | 0 | 113.2 | N30 L60 F61 | N30-I63 HydrophobicContact CB-CD1 3.43Å; N30-I63 VanDerWaalsContact CB-CD1 3.43Å; N30-I63 HydrophobicContact CB-CG1 3.73Å; L60-I63 HydrophobicContact CB-CD1 4.19Å; L60-I63 HydrophobicContact CB-CG1 4.09Å; L60-I63 WeakPolarHBondContact O-CG1 3.33Å; F61-I63 PolarHBondContact O-N 3.11Å; F61-I63 VanDerWaalsContact O-N 3.09Å |
| 64 | L | 91.8 | Very high | 92.2 | Very high | 23 Ų | 23 | 63.6 Ų | 63.6 | 12% | 0.12 | 34% | 0.344 | C | S | . | . | trans | -81.1 | 140.3 | 174.6 | -61.4 | 177.1 | 0 | 0 | 0 | 110.5 | M28 P29 N30 A55 F61 | M28-L64 HydrophobicContact CE-CD1 3.59Å; M28-L64 HydrophobicContact CE-CD2 4.49Å; P29-L64 HydrophobicContact CB-CD2 4.11Å; P29-L64 HydrophobicContact CG-CD2 4.13Å; N30-L64 HydrophobicContact CB-CD2 3.88Å; N30-L64 HydrophobicContact CB-CG 4.39Å; A55-L64 HydrophobicContact CB-CD1 4.3Å; F61-L64 HydrophobicContact CD2-CD1 3.94Å; F61-L64 HydrophobicContact CE2-CD1 4.33Å; F61-L64 WeakPolarHBondContact O-CB 3.22Å; F61-L64 PolarHBondContact O-N 2.85Å | ||
| 65 | Q | 91.3 | Very high | 92.2 | Very high | 98 Ų | 98 | 63.1 Ų | 63.1 | 46% | 0.458 | 35% | 0.345 | S | S | . | . | trans | -83 | -175.2 | 170.3 | -61.7 | -176.2 | 33.2 | 0 | 0 | 111 | T69 Y70 | Q65-T69 HydrophobicContact CB-CG2 4.06Å; Q65-T69 VanDerWaalsContact CB-OG1 3.32Å; Q65-T69 WeakPolarHBondContact CB-OG1 3.38Å; Q65-Y70 HydrophobicContact CB-CE2 3.91Å; Q65-Y70 PolarHBondContact N-OH 2.81Å | ||
| 66 | G | 89.4 | Confident | 91.9 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 37% | 0.371 | 35% | 0.348 | S | S | . | . | trans | -63.3 | 154.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S68 T69 Y70 | G66-S68 PolarHBondContact O-N 2.9Å; G66-S68 VanDerWaalsContact O-N 3.08Å; G66-T69 PolarHBondContact O-N 3.14Å; G66-T69 VanDerWaalsContact O-N 3.07Å; G66-T69 PolarHBondContact O-OG1 3.09Å; G66-Y70 WeakPolarHBondContact O-CD2 3.36Å | ||
| 67 | P | 90.4 | Very high | 91.4 | Very high | 59 Ų | 59 | 58.6 Ų | 58.6 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -58.2 | -26.2 | -178.5 | 21.8 | -31.9 | 0 | 0 | 0 | 115.1 | K48 W52 T69 | K48-P67 HydrophobicContact CD-CB 3.87Å; K48-P67 HydrophobicContact CG-CB 4.25Å; K48-P67 PolarHBondContact NZ-O 3.01Å; K48-P67 VanDerWaalsContact NZ-O 3.08Å; W52-P67 HydrophobicContact CD2-CB 3.77Å; W52-P67 HydrophobicContact CD2-CG 4.5Å; W52-P67 HydrophobicContact CE3-CB 4.01Å; W52-P67 HydrophobicContact CG-CB 4.31Å; W52-P67 HydrophobicContact CH2-CB 4.04Å; W52-P67 HydrophobicContact CZ2-CB 3.88Å; W52-P67 HydrophobicContact CZ3-CB 4.12Å; P67-T69 VanDerWaalsContact C-N 3.28Å; P67-T69 PolarHBondContact O-N 3.17Å |
| 68 | S | 88.1 | Confident | 90.6 | Very high | 113 Ų | 113 | 54.5 Ų | 54.5 | 79% | 0.79 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -72.7 | -14.8 | 178.8 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | G66 Y70 | G66-S68 PolarHBondContact O-N 2.9Å; G66-S68 VanDerWaalsContact O-N 3.08Å; S68-Y70 VanDerWaalsContact C-N 3.3Å |
| 69 | T | 89.9 | Confident | 90.2 | Very high | 40 Ų | 40 | 54 Ų | 54 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -83.6 | -10.1 | -179.9 | 63.3 | 0 | 0 | 0 | 0 | 112.7 | Q65 G66 P67 P106 | Q65-T69 HydrophobicContact CB-CG2 4.06Å; Q65-T69 VanDerWaalsContact CB-OG1 3.32Å; Q65-T69 WeakPolarHBondContact CB-OG1 3.38Å; G66-T69 PolarHBondContact O-N 3.14Å; G66-T69 VanDerWaalsContact O-N 3.07Å; G66-T69 PolarHBondContact O-OG1 3.09Å; P67-T69 VanDerWaalsContact C-N 3.28Å; P67-T69 PolarHBondContact O-N 3.17Å; T69-P106 WeakPolarHBondContact O-CD 3.49Å |
| 70 | Y | 91.9 | Very high | 89.7 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | trans | -117.6 | 146.6 | -173 | -58.5 | -76.2 | 0 | 0 | 0 | 112.2 | P29 K48 W52 Q65 G66 S68 L103 L104 E105 | P29-Y70 HydrophobicContact CB-CE1 3.89Å; P29-Y70 HydrophobicContact CG-CD1 3.67Å; P29-Y70 HydrophobicContact CG-CE1 3.34Å; P29-Y70 HydrophobicContact CG-CG 4.47Å; K48-Y70 PolarHBondContact NZ-O 3.27Å; W52-Y70 AromaticContact CH2-CD2 3.48Å; W52-Y70 HydrophobicContact CH2-CD2 3.48Å; W52-Y70 VanDerWaalsContact CH2-CD2 3.48Å; W52-Y70 HydrophobicContact CH2-CE2 4.14Å; W52-Y70 HydrophobicContact CH2-CG 4.21Å; W52-Y70 AromaticContact CZ2-CD2 3.61Å; W52-Y70 HydrophobicContact CZ2-CD2 3.61Å; W52-Y70 AromaticContact CZ2-CE2 3.86Å; W52-Y70 HydrophobicContact CZ2-CE2 3.86Å; Q65-Y70 HydrophobicContact CB-CE2 3.91Å; Q65-Y70 PolarHBondContact N-OH 2.81Å; G66-Y70 WeakPolarHBondContact O-CD2 3.36Å; S68-Y70 VanDerWaalsContact C-N 3.3Å; Y70-L103 VanDerWaalsContact CB-CD1 3.46Å; Y70-L103 HydrophobicContact CD1-CG 4.36Å; Y70-L103 HydrophobicContact CD2-CD2 4.36Å; Y70-L103 HydrophobicContact CG-CD1 4.36Å; Y70-L103 HydrophobicContact CG-CD2 4.13Å; Y70-L103 HydrophobicContact CG-CG 4.01Å; Y70-L104 CarbonylContact C-O 3.25Å; Y70-L104 WeakPolarHBondContact CA-O 3.48Å; Y70-E105 HydrophobicContact CD1-CB 4.48Å | ||
| 71 | V | 92.3 | Very high | 89.4 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 154.6 | 170.2 | -62.5 | 0 | 0 | 0 | 0 | 110 | Y85 L104 P106 | V71-Y85 HydrophobicContact CG1-CD1 4.1Å; V71-Y85 HydrophobicContact CG1-CE1 4.05Å; V71-L104 HydrophobicContact CG2-CD1 3.8Å; V71-L104 HydrophobicContact CG2-CG 4.36Å; V71-L104 PolarHBondContact N-O 2.74Å; V71-L104 PolarHBondContact O-N 2.61Å; V71-P106 HydrophobicContact CG1-CB 4.28Å; V71-P106 HydrophobicContact CG1-CG 4.02Å; V71-P106 HydrophobicContact CG2-CB 3.89Å; V71-P106 HydrophobicContact CG2-CG 4.27Å |
| 72 | F | 95.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 148.9 | 171 | -71.5 | -71.3 | 0 | 0 | 0 | 110.7 | V26 L44 V47 K48 L51 E83 I84 L101 C102 L103 | V26-F72 HydrophobicContact CG1-CE1 4.33Å; L44-F72 HydrophobicContact CB-CD2 3.89Å; L44-F72 HydrophobicContact CB-CE2 3.99Å; L44-F72 HydrophobicContact CD1-CB 4.37Å; L44-F72 HydrophobicContact CD1-CD2 4.08Å; L44-F72 HydrophobicContact CD2-CD2 3.77Å; L44-F72 HydrophobicContact CD2-CE2 4.09Å; L44-F72 HydrophobicContact CD2-CG 4.13Å; L44-F72 HydrophobicContact CG-CD2 4.14Å; L44-F72 WeakPolarHBondContact O-CE2 3.41Å; V47-F72 HydrophobicContact CB-CZ 4.43Å; V47-F72 HydrophobicContact CG1-CE1 4.45Å; V47-F72 HydrophobicContact CG1-CZ 4.03Å; K48-F72 HydrophobicContact CB-CE2 3.84Å; K48-F72 HydrophobicContact CB-CZ 3.87Å; K48-F72 HydrophobicContact CG-CE2 4.33Å; K48-F72 HydrophobicContact CG-CZ 4.25Å; L51-F72 HydrophobicContact CD2-CE1 4.23Å; L51-F72 HydrophobicContact CD2-CZ 4.42Å; F72-E83 CarbonylContact O-C 3.45Å; F72-E83 WeakPolarHBondContact O-CA 3.42Å; F72-I84 PolarHBondContact O-N 2.76Å; F72-L101 HydrophobicContact CD1-CB 3.96Å; F72-L101 HydrophobicContact CD1-CD1 4.09Å; F72-L101 HydrophobicContact CD1-CG 4.47Å; F72-L101 HydrophobicContact CE1-CB 4.33Å; F72-L101 HydrophobicContact CE1-CD1 4.05Å; F72-C102 CarbonylContact C-O 3.25Å; F72-C102 WeakPolarHBondContact CA-O 3.46Å; F72-L103 HydrophobicContact CD1-CD1 4.14Å; F72-L103 HydrophobicContact CE1-CD1 4.05Å; F72-L103 HydrophobicContact CZ-CD1 4.44Å |
| 73 | M | 94 | Very high | 89 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133.5 | 169.7 | -179.7 | -84.3 | -72.1 | 0 | 0 | 108.9 | R81 E82 E83 C102 L104 | M73-R81 HydrophobicContact CE-CG 4.44Å; M73-R81 HydrophobicContact CG-CB 4.28Å; M73-R81 HydrophobicContact SD-CB 3.86Å; M73-R81 HydrophobicContact SD-CG 3.99Å; M73-E82 CarbonylContact C-O 3.57Å; M73-E82 VanDerWaalsContact CA-O 3.22Å; M73-E82 WeakPolarHBondContact CA-O 3.4Å; M73-E83 HydrophobicContact CB-CG 4.45Å; M73-E83 HydrophobicContact CG-CG 4.38Å; M73-C102 HydrophobicContact CB-CB 4.4Å; M73-C102 HydrophobicContact CE-CB 3.66Å; M73-C102 PolarHBondContact N-O 3.41Å; M73-C102 PolarHBondContact O-N 2.79Å; M73-C102 HydrophobicContact SD-CB 4.49Å; M73-L104 HydrophobicContact CB-CD2 3.55Å; M73-L104 HydrophobicContact CB-CG 4.35Å; M73-L104 HydrophobicContact CE-CD2 4.28Å; M73-L104 HydrophobicContact CG-CD2 4.06Å |
| 74 | V | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 156.2 | 173.9 | -66.6 | 0 | 0 | 0 | 0 | 110.1 | R81 E82 I84 L94 M96 L101 | V74-R81 CarbonylContact O-C 3.58Å; V74-R81 WeakPolarHBondContact O-CA 3.3Å; V74-E82 HydrophobicContact CG2-CB 3.9Å; V74-E82 HydrophobicContact CG2-CG 4.48Å; V74-E82 PolarHBondContact N-O 2.88Å; V74-E82 PolarHBondContact O-N 3.44Å; V74-I84 HydrophobicContact CB-CD1 4.37Å; V74-I84 HydrophobicContact CG1-CD1 3.7Å; V74-I84 HydrophobicContact CG2-CD1 3.84Å; V74-I84 HydrophobicContact CG2-CG1 4.41Å; V74-L94 HydrophobicContact CG1-CD1 4.19Å; V74-M96 HydrophobicContact CB-CG 4.39Å; V74-M96 HydrophobicContact CG1-CG 4.01Å; V74-M96 HydrophobicContact CG1-SD 4.06Å; V74-L101 HydrophobicContact CG1-CD2 3.46Å; V74-L101 VanDerWaalsContact CG1-CD2 3.46Å |
| 75 | V | 92.4 | Very high | 88.5 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 34% | 0.339 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 113.9 | 154.9 | -178.9 | 0 | 0 | 0 | 0 | 106.6 | K80 F97 | V75-K80 CarbonylContact C-O 3.35Å; V75-K80 WeakPolarHBondContact CA-O 3.24Å; V75-F97 HydrophobicContact CB-CB 4.45Å; V75-F97 HydrophobicContact CG1-CB 4.09Å; V75-F97 VanDerWaalsContact O-CB 3.32Å; V75-F97 WeakPolarHBondContact O-CB 3.2Å; V75-F97 PolarHBondContact O-N 3.43Å |
| 76 | N | 87.3 | Confident | 88.1 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -78.4 | 171.6 | 178.5 | 70.4 | 16.1 | 0 | 0 | 0 | 111.3 | D78 G79 K80 E82 R95 F97 | N76-D78 PolarHBondContact O-N 2.84Å; N76-D78 WeakPolarHBondContact OD1-CB 3.29Å; N76-D78 PolarHBondContact OD1-N 2.99Å; N76-D78 VanDerWaalsContact OD1-N 3.14Å; N76-G79 PolarHBondContact O-N 2.86Å; N76-K80 PolarHBondContact N-O 2.89Å; N76-K80 PolarHBondContact OD1-N 2.7Å; N76-K80 VanDerWaalsContact OD1-N 3.15Å; N76-K80 PolarHBondContact OD1-O 2.81Å; N76-E82 PolarHBondContact ND2-OE2 2.83Å; N76-R95 CarbonylContact C-O 3.57Å; N76-R95 VanDerWaalsContact CA-O 3.3Å; N76-R95 WeakPolarHBondContact CA-O 3.22Å; N76-F97 WeakPolarHBondContact O-CB 3.32Å |
| 77 | Q | 84.4 | Confident | 88.1 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 7% | 0.065 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.3 | -178.1 | -75.1 | 167.9 | 11.9 | 0 | 0 | 115.2 | A8 G10 W13 G79 R95 M96 | A8-Q77 PolarHBondContact O-OE1 3.13Å; G10-Q77 PolarHBondContact O-NE2 2.97Å; W13-Q77 HydrophobicContact CB-CG 4.34Å; W13-Q77 HydrophobicContact CE3-CB 4.3Å; W13-Q77 HydrophobicContact CE3-CG 4.33Å; Q77-G79 PolarHBondContact O-N 2.89Å; Q77-R95 WeakPolarHBondContact CG-O 3.45Å; Q77-R95 PolarHBondContact N-O 3.21Å; Q77-M96 WeakPolarHBondContact CG-O 3.03Å |
| 78 | D | 74.8 | Confident | 88 | Confident | 105 Ų | 105 | 55.5 Ų | 55.5 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 3.2 | 173.8 | -61.1 | -42.2 | 0 | 0 | 0 | 112.8 | N76 K80 | N76-D78 PolarHBondContact O-N 2.84Å; N76-D78 WeakPolarHBondContact OD1-CB 3.29Å; N76-D78 PolarHBondContact OD1-N 2.99Å; N76-D78 VanDerWaalsContact OD1-N 3.14Å; D78-K80 VanDerWaalsContact C-N 3.29Å; D78-K80 HydrophobicContact CB-CG 4.4Å; D78-K80 PolarHBondContact O-N 3.04Å |
| 79 | G | 83.6 | Confident | 88.1 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 57% | 0.567 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 74 | 18.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N76 Q77 | N76-G79 PolarHBondContact O-N 2.86Å; Q77-G79 PolarHBondContact O-N 2.89Å |
| 80 | K | 81.9 | Confident | 88.1 | Confident | 66 Ų | 66 | 50.9 Ų | 50.9 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | trans | -103.7 | 147.9 | -178.3 | -63.7 | -175.3 | -178.4 | 173.6 | 0 | 111.4 | V75 N76 D78 P126 E129 | V75-K80 CarbonylContact C-O 3.35Å; V75-K80 WeakPolarHBondContact CA-O 3.24Å; N76-K80 PolarHBondContact N-O 2.89Å; N76-K80 PolarHBondContact OD1-N 2.7Å; N76-K80 VanDerWaalsContact OD1-N 3.15Å; N76-K80 PolarHBondContact OD1-O 2.81Å; D78-K80 VanDerWaalsContact C-N 3.29Å; D78-K80 HydrophobicContact CB-CG 4.4Å; D78-K80 PolarHBondContact O-N 3.04Å; K80-P126 HydrophobicContact CD-CG 3.67Å; K80-E129 IonicContact NZ-OE1 2.72Å; K80-E129 PolarHBondContact NZ-OE1 2.97Å | ||
| 81 | R | 88.2 | Confident | 88.2 | Confident | 212 Ų | 212 | 50.4 Ų | 50.4 | 80% | 0.8 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 127.1 | 173.8 | -62.1 | 179.4 | -174.8 | 179 | -0.2 | 109.3 | M73 V74 | M73-R81 HydrophobicContact CE-CG 4.44Å; M73-R81 HydrophobicContact CG-CB 4.28Å; M73-R81 HydrophobicContact SD-CB 3.86Å; M73-R81 HydrophobicContact SD-CG 3.99Å; V74-R81 CarbonylContact O-C 3.58Å; V74-R81 WeakPolarHBondContact O-CA 3.3Å |
| 82 | E | 86.2 | Confident | 88.1 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 12% | 0.121 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 112.5 | -177.1 | -178.2 | 178.1 | 158.3 | 0 | 0 | 109.3 | M73 V74 N76 R89 Y117 Q121 | M73-E82 CarbonylContact C-O 3.57Å; M73-E82 VanDerWaalsContact CA-O 3.22Å; M73-E82 WeakPolarHBondContact CA-O 3.4Å; V74-E82 HydrophobicContact CG2-CB 3.9Å; V74-E82 HydrophobicContact CG2-CG 4.48Å; V74-E82 PolarHBondContact N-O 2.88Å; V74-E82 PolarHBondContact O-N 3.44Å; N76-E82 PolarHBondContact ND2-OE2 2.83Å; E82-R89 IonicContact OE1-NH1 3.95Å; E82-Y117 HydrophobicContact CG-CD2 4.44Å; E82-Y117 HydrophobicContact CG-CE2 4.15Å; E82-Y117 VanDerWaalsContact OE1-CE2 3.28Å; E82-Y117 WeakPolarHBondContact OE1-CE2 3.41Å; E82-Q121 PolarHBondContact OE1-NE2 2.81Å |
| 83 | E | 90.1 | Very high | 87.8 | Confident | 54 Ų | 54 | 51.1 Ų | 51.1 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 127.5 | 172.3 | -64.2 | 171.4 | -175.4 | 0 | 0 | 109.3 | F72 M73 Y85 L104 K113 | F72-E83 CarbonylContact O-C 3.45Å; F72-E83 WeakPolarHBondContact O-CA 3.42Å; M73-E83 HydrophobicContact CB-CG 4.45Å; M73-E83 HydrophobicContact CG-CG 4.38Å; E83-Y85 HydrophobicContact CB-CE2 3.75Å; E83-Y85 PolarHBondContact OE2-OH 2.79Å; E83-L104 HydrophobicContact CG-CD1 4.47Å; E83-K113 IonicContact OE1-NZ 2.94Å; E83-K113 PolarHBondContact OE1-NZ 3.1Å; E83-K113 IonicContact OE2-NZ 3.96Å; E83-K113 PolarHBondContact OE2-NZ 3.33Å |
| 84 | I | 88.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114 | -175.4 | -55.4 | 160.8 | 0 | 0 | 0 | 109.1 | L44 F72 V74 L94 | L44-I84 HydrophobicContact CD1-CB 3.92Å; L44-I84 HydrophobicContact CD1-CD1 3.95Å; L44-I84 HydrophobicContact CD1-CG2 3.44Å; L44-I84 VanDerWaalsContact CD1-CG2 3.44Å; F72-I84 PolarHBondContact O-N 2.76Å; V74-I84 HydrophobicContact CB-CD1 4.37Å; V74-I84 HydrophobicContact CG1-CD1 3.7Å; V74-I84 HydrophobicContact CG2-CD1 3.84Å; V74-I84 HydrophobicContact CG2-CG1 4.41Å; I84-L94 HydrophobicContact CD1-CB 4.41Å; I84-L94 HydrophobicContact CD1-CD1 3.71Å; I84-L94 HydrophobicContact CD1-CD2 3.67Å; I84-L94 HydrophobicContact CD1-CG 4.1Å; I84-L94 HydrophobicContact CG2-CD2 4.49Å |
| 85 | Y | 84.7 | Confident | 87.2 | Confident | 45 Ų | 45 | 52.8 Ų | 52.8 | 18% | 0.176 | 25% | 0.247 | C | C | . | . | trans | -93.9 | -25.6 | -177.6 | -69.2 | -82.9 | 0 | 0 | 0 | 113.5 | V71 E83 E87 P106 L110 K113 | V71-Y85 HydrophobicContact CG1-CD1 4.1Å; V71-Y85 HydrophobicContact CG1-CE1 4.05Å; E83-Y85 HydrophobicContact CB-CE2 3.75Å; E83-Y85 PolarHBondContact OE2-OH 2.79Å; Y85-E87 PolarHBondContact O-N 2.92Å; Y85-P106 HydrophobicContact CE1-CB 4.22Å; Y85-L110 HydrophobicContact CD1-CD2 4.47Å; Y85-L110 HydrophobicContact CE1-CD2 3.71Å; Y85-K113 HydrophobicContact CE2-CB 3.93Å; Y85-K113 HydrophobicContact CE2-CD 4.43Å; Y85-K113 WeakPolarHBondContact OH-CD 3.33Å | ||
| 86 | D | 84.4 | Confident | 87.1 | Confident | 74 Ų | 74 | 50.1 Ų | 50.1 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | trans | -92.2 | 97.1 | 177.7 | -173.6 | 2.6 | 0 | 0 | 0 | 110 | R88 R89 | D86-R88 PolarHBondContact O-N 3.46Å; D86-R88 VanDerWaalsContact OD1-CB 3.28Å; D86-R88 WeakPolarHBondContact OD1-CB 3.39Å; D86-R88 WeakPolarHBondContact OD1-CG 3.34Å; D86-R88 PolarHBondContact OD1-N 3.31Å; D86-R88 VanDerWaalsContact OD1-N 3.11Å; D86-R89 HydrophobicContact CB-CG 4.15Å; D86-R89 WeakPolarHBondContact O-CB 3.32Å; D86-R89 WeakPolarHBondContact O-CG 3.39Å; D86-R89 PolarHBondContact O-N 2.91Å | ||
| 87 | E | 89.4 | Confident | 87.4 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 24% | 0.238 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -5.1 | -179 | -68.8 | 179.6 | -155.2 | 0 | 0 | 113.8 | L44 Q45 K48 Y85 R89 | L44-E87 HydrophobicContact CB-CB 4.29Å; L44-E87 HydrophobicContact CB-CG 4.49Å; L44-E87 PolarHBondContact N-O 3.37Å; Q45-E87 HydrophobicContact CB-CB 4.24Å; Q45-E87 PolarHBondContact N-O 3.29Å; K48-E87 WeakPolarHBondContact CE-OE1 3.35Å; K48-E87 WeakPolarHBondContact CE-OE2 3.48Å; K48-E87 IonicContact NZ-OE1 2.83Å; K48-E87 PolarHBondContact NZ-OE1 3.17Å; K48-E87 IonicContact NZ-OE2 3.02Å; K48-E87 PolarHBondContact NZ-OE2 3.25Å; Y85-E87 PolarHBondContact O-N 2.92Å; E87-R89 VanDerWaalsContact C-N 3.26Å |
| 88 | R | 87.8 | Confident | 87.7 | Confident | 190 Ų | 190 | 60.4 Ų | 60.4 | 72% | 0.717 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -17.2 | 173.2 | -57.6 | 174.4 | -179 | 178.3 | 0.1 | 112.1 | T43 D86 | T43-R88 WeakPolarHBondContact CG2-O 3.46Å; D86-R88 PolarHBondContact O-N 3.46Å; D86-R88 VanDerWaalsContact OD1-CB 3.28Å; D86-R88 WeakPolarHBondContact OD1-CB 3.39Å; D86-R88 WeakPolarHBondContact OD1-CG 3.34Å; D86-R88 PolarHBondContact OD1-N 3.31Å; D86-R88 VanDerWaalsContact OD1-N 3.11Å |
| 89 | R | 88.9 | Confident | 88.6 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 11% | 0.109 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -61.6 | 141.8 | 177.2 | -66.9 | -174.3 | 73.9 | -158.6 | 5.2 | 110.8 | T43 L44 E82 D86 E87 D93 L94 Y117 | T43-R89 CarbonylContact C-O 3.5Å; T43-R89 WeakPolarHBondContact CA-O 3.26Å; L44-R89 PolarHBondContact N-O 3.34Å; E82-R89 IonicContact OE1-NH1 3.95Å; D86-R89 HydrophobicContact CB-CG 4.15Å; D86-R89 WeakPolarHBondContact O-CB 3.32Å; D86-R89 WeakPolarHBondContact O-CG 3.39Å; D86-R89 PolarHBondContact O-N 2.91Å; E87-R89 VanDerWaalsContact C-N 3.26Å; R89-D93 PolarHBondContact NH2-O 2.88Å; R89-L94 HydrophobicContact CB-CD2 3.87Å; R89-Y117 VanDerWaalsContact CD-OH 3.29Å; R89-Y117 WeakPolarHBondContact CD-OH 3.41Å; R89-Y117 PolarHBondContact NE-OH 2.81Å; R89-Y117 PolarHBondContact NH1-OH 3.11Å |
| 90 | R | 91.5 | Very high | 89.2 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 11% | 0.106 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -87.2 | 155.9 | 175.8 | -54.2 | 179.5 | -170 | -169.7 | 10.8 | 110.8 | D41 S42 T43 C92 D93 L94 P767 E771 | D41-R90 WeakPolarHBondContact O-CG 3.18Å; D41-R90 IonicContact OD1-NH1 3.82Å; D41-R90 PolarHBondContact OD1-NH1 3.22Å; S42-R90 WeakPolarHBondContact O-CA 3.41Å; T43-R90 HydrophobicContact CG2-CG 4.26Å; R90-C92 VanDerWaalsContact C-N 3.3Å; R90-C92 PolarHBondContact O-N 2.95Å; R90-D93 WeakPolarHBondContact O-CB 3.24Å; R90-D93 PolarHBondContact O-N 2.89Å; R90-L94 WeakPolarHBondContact O-CG 3.2Å; R90-P767 VanDerWaalsContact NH2-C 3.34Å; R90-P767 PolarHBondContact NH2-O 3.04Å; R90-E771 IonicContact CZ-OE2 2.7Å; R90-E771 IonicContact NE-OE2 3.53Å; R90-E771 PolarHBondContact NE-OE2 3.28Å; R90-E771 IonicContact NH2-OE2 3.88Å; R90-E771 PolarHBondContact NH2-OE2 2.96Å |
| 91 | L | 92.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -57.8 | -41.5 | -179.2 | -168.2 | 72.7 | 0 | 0 | 0 | 112.6 | M18 L22 V24 S42 D93 L94 M96 L101 | M18-L91 HydrophobicContact CE-CD2 4.35Å; M18-L91 HydrophobicContact CE-CG 4.43Å; M18-L91 HydrophobicContact SD-CD2 3.77Å; M18-L91 HydrophobicContact SD-CG 4.09Å; L22-L91 HydrophobicContact CD1-CD2 4.22Å; L22-L91 HydrophobicContact CD2-CD2 3.87Å; L22-L91 HydrophobicContact CG-CD2 4.33Å; V24-L91 HydrophobicContact CG2-CD1 4.4Å; V24-L91 HydrophobicContact CG2-CD2 3.57Å; S42-L91 PolarHBondContact O-N 3.11Å; L91-D93 PolarHBondContact O-N 2.99Å; L91-L94 HydrophobicContact CD1-CD1 4.1Å; L91-L94 PolarHBondContact O-N 2.86Å; L91-M96 HydrophobicContact CD1-CE 3.51Å; L91-M96 HydrophobicContact CD1-SD 3.74Å; L91-M96 HydrophobicContact CD2-CE 4.18Å; L91-M96 HydrophobicContact CG-CE 3.57Å; L91-M96 HydrophobicContact CG-SD 4.42Å; L91-L101 HydrophobicContact CD1-CD1 4.32Å; L91-L101 HydrophobicContact CD1-CD2 4.44Å |
| 92 | C | 91.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -63.3 | -21.1 | 177.7 | 61 | 0 | 0 | 0 | 0 | 114 | E11 R40 R90 | E11-C92 HydrophobicContact CG-CB 4.27Å; E11-C92 WeakPolarHBondContact CG-O 3.47Å; R40-C92 HydrophobicContact CB-CB 4.29Å; R40-C92 PolarHBondContact O-N 3.14Å; R40-C92 VanDerWaalsContact O-N 3.08Å; R40-C92 PolarHBondContact O-SG 3.33Å; R90-C92 VanDerWaalsContact C-N 3.3Å; R90-C92 PolarHBondContact O-N 2.95Å |
| 93 | D | 88.2 | Confident | 90.7 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 14% | 0.139 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -86.9 | -11.6 | -179.1 | -59.2 | -37.1 | 0 | 0 | 0 | 112.8 | R89 R90 L91 R95 K741 | R89-D93 PolarHBondContact NH2-O 2.88Å; R90-D93 WeakPolarHBondContact O-CB 3.24Å; R90-D93 PolarHBondContact O-N 2.89Å; L91-D93 PolarHBondContact O-N 2.99Å; D93-R95 VanDerWaalsContact C-N 3.28Å; D93-R95 PolarHBondContact O-N 3.28Å; D93-K741 WeakPolarHBondContact OD1-CE 3.43Å; D93-K741 IonicContact OD1-NZ 3.83Å; D93-K741 PolarHBondContact OD1-NZ 3.15Å |
| 94 | L | 88.4 | Confident | 90.9 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -80.3 | -5.6 | -170.2 | -53.5 | -176.2 | 0 | 0 | 0 | 114.2 | L44 V74 I84 R89 R90 L91 M96 L101 | L44-L94 HydrophobicContact CD1-CD1 4.14Å; L44-L94 HydrophobicContact CD1-CD2 4.27Å; L44-L94 HydrophobicContact CD2-CD1 3.8Å; L44-L94 HydrophobicContact CG-CD1 4.16Å; V74-L94 HydrophobicContact CG1-CD1 4.19Å; I84-L94 HydrophobicContact CD1-CB 4.41Å; I84-L94 HydrophobicContact CD1-CD1 3.71Å; I84-L94 HydrophobicContact CD1-CD2 3.67Å; I84-L94 HydrophobicContact CD1-CG 4.1Å; I84-L94 HydrophobicContact CG2-CD2 4.49Å; R89-L94 HydrophobicContact CB-CD2 3.87Å; R90-L94 WeakPolarHBondContact O-CG 3.2Å; L91-L94 HydrophobicContact CD1-CD1 4.1Å; L91-L94 PolarHBondContact O-N 2.86Å; L94-M96 VanDerWaalsContact C-N 3.29Å; L94-M96 HydrophobicContact CB-CG 3.76Å; L94-M96 HydrophobicContact CB-SD 4.45Å; L94-M96 HydrophobicContact CD1-SD 4.35Å; L94-M96 PolarHBondContact O-N 3.36Å; L94-L101 HydrophobicContact CD1-CD2 4.35Å |
| 95 | R | 87 | Confident | 91 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 22% | 0.223 | 21% | 0.212 | C | C | . | . | trans | 47.3 | 52.4 | -179.6 | -63.8 | 178.3 | 62.2 | -173.9 | -10.3 | 111.8 | A8 N76 Q77 D93 E740 | A8-R95 PolarHBondContact O-NH2 3.45Å; N76-R95 CarbonylContact C-O 3.57Å; N76-R95 VanDerWaalsContact CA-O 3.3Å; N76-R95 WeakPolarHBondContact CA-O 3.22Å; Q77-R95 WeakPolarHBondContact CG-O 3.45Å; Q77-R95 PolarHBondContact N-O 3.21Å; D93-R95 VanDerWaalsContact C-N 3.28Å; D93-R95 PolarHBondContact O-N 3.28Å; R95-E740 IonicContact CZ-OE2 3.25Å; R95-E740 VanDerWaalsContact NH1-CD 3.27Å; R95-E740 IonicContact NH1-OE1 3.39Å; R95-E740 PolarHBondContact NH1-OE1 3.19Å; R95-E740 VanDerWaalsContact NH1-OE1 3.11Å; R95-E740 IonicContact NH1-OE2 2.68Å; R95-E740 PolarHBondContact NH1-OE2 3.43Å | ||
| 96 | M | 91 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -71.5 | 145.3 | -173.8 | -58.4 | -174.2 | -64.7 | 0 | 0 | 110.8 | E11 L12 W13 M18 V74 Q77 L91 L94 P99 L101 | E11-M96 PolarHBondContact O-N 3.42Å; L12-M96 WeakPolarHBondContact CA-O 3.47Å; L12-M96 HydrophobicContact CD1-CB 4.07Å; W13-M96 PolarHBondContact N-O 3.04Å; W13-M96 VanDerWaalsContact N-O 3.13Å; M18-M96 HydrophobicContact CE-CE 3.28Å; M18-M96 HydrophobicContact SD-CE 4.46Å; V74-M96 HydrophobicContact CB-CG 4.39Å; V74-M96 HydrophobicContact CG1-CG 4.01Å; V74-M96 HydrophobicContact CG1-SD 4.06Å; Q77-M96 WeakPolarHBondContact CG-O 3.03Å; L91-M96 HydrophobicContact CD1-CE 3.51Å; L91-M96 HydrophobicContact CD1-SD 3.74Å; L91-M96 HydrophobicContact CD2-CE 4.18Å; L91-M96 HydrophobicContact CG-CE 3.57Å; L91-M96 HydrophobicContact CG-SD 4.42Å; L94-M96 VanDerWaalsContact C-N 3.29Å; L94-M96 HydrophobicContact CB-CG 3.76Å; L94-M96 HydrophobicContact CB-SD 4.45Å; L94-M96 HydrophobicContact CD1-SD 4.35Å; L94-M96 PolarHBondContact O-N 3.36Å; M96-P99 HydrophobicContact CE-CB 4.44Å; M96-L101 HydrophobicContact SD-CD2 4.07Å |
| 97 | F | 91.8 | Very high | 90.8 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 37% | 0.373 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -72.2 | -42 | 168.7 | 177.9 | -104.5 | 0 | 0 | 0 | 111.3 | W13 V75 N76 | W13-F97 HydrophobicContact CB-CD2 3.97Å; W13-F97 HydrophobicContact CB-CE2 4.39Å; W13-F97 WeakPolarHBondContact CB-O 3.39Å; W13-F97 AromaticContact CD1-CE2 3.95Å; W13-F97 HydrophobicContact CD2-CD2 4.21Å; W13-F97 HydrophobicContact CD2-CE2 4.11Å; W13-F97 AromaticContact CG-CD2 3.91Å; W13-F97 HydrophobicContact CG-CD2 3.91Å; W13-F97 AromaticContact CG-CE2 3.89Å; W13-F97 HydrophobicContact CG-CE2 3.89Å; V75-F97 HydrophobicContact CB-CB 4.45Å; V75-F97 HydrophobicContact CG1-CB 4.09Å; V75-F97 VanDerWaalsContact O-CB 3.32Å; V75-F97 WeakPolarHBondContact O-CB 3.2Å; V75-F97 PolarHBondContact O-N 3.43Å; N76-F97 WeakPolarHBondContact O-CB 3.32Å |
| 98 | W | 92.4 | Very high | 90.4 | Very high | 160 Ų | 160 | 49.3 Ų | 49.3 | 61% | 0.606 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -143.7 | 151.5 | 177.3 | -156 | -113.5 | 0 | 0 | 0 | 107.9 | V100 | W98-V100 HydrophobicContact CB-CG2 4.43Å; W98-V100 HydrophobicContact CG-CG2 4.43Å; W98-V100 PolarHBondContact O-N 2.84Å |
| 99 | P | 93.3 | Very high | 90.2 | Very high | 19 Ų | 19 | 43.9 Ų | 43.9 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -73.3 | 65.3 | -179.1 | 32.6 | -37.4 | 0 | 0 | 0 | 111.8 | L22 V24 D25 M96 | L22-P99 HydrophobicContact CD1-CB 3.69Å; L22-P99 HydrophobicContact CD1-CG 4.47Å; V24-P99 WeakPolarHBondContact CA-O 3.26Å; V24-P99 HydrophobicContact CG2-CB 4.4Å; D25-P99 PolarHBondContact N-O 2.71Å; D25-P99 VanDerWaalsContact N-O 3.1Å; M96-P99 HydrophobicContact CE-CB 4.44Å |
| 100 | V | 95.5 | Very high | 89.9 | Confident | 43 Ų | 43 | 46.9 Ų | 46.9 | 26% | 0.261 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.9 | 179.1 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | D25 L27 W98 | D25-V100 HydrophobicContact CB-CG2 4.36Å; D25-V100 CarbonylContact O-C 3.45Å; D25-V100 VanDerWaalsContact O-CA 3.29Å; D25-V100 WeakPolarHBondContact O-CA 3.49Å; L27-V100 HydrophobicContact CD1-CG1 4.01Å; L27-V100 HydrophobicContact CD2-CG1 4.45Å; L27-V100 HydrophobicContact CG-CG1 3.96Å; W98-V100 HydrophobicContact CB-CG2 4.43Å; W98-V100 HydrophobicContact CG-CG2 4.43Å; W98-V100 PolarHBondContact O-N 2.84Å |
| 101 | L | 96.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 141.8 | 171.5 | -61.9 | 176.6 | 0 | 0 | 0 | 108.8 | V24 D25 V26 L27 L44 V47 F72 V74 L91 L94 M96 | V24-L101 HydrophobicContact CG1-CB 4.43Å; V24-L101 HydrophobicContact CG1-CD1 3.84Å; V24-L101 HydrophobicContact CG1-CG 3.71Å; D25-L101 PolarHBondContact O-N 3.09Å; V26-L101 CarbonylContact C-O 3.53Å; V26-L101 WeakPolarHBondContact CA-O 3.41Å; V26-L101 HydrophobicContact CG1-CB 4.28Å; V26-L101 HydrophobicContact CG2-CB 4.28Å; V26-L101 HydrophobicContact CG2-CD1 4.48Å; L27-L101 PolarHBondContact N-O 2.89Å; L44-L101 HydrophobicContact CD2-CD1 4.11Å; L44-L101 HydrophobicContact CD2-CD2 4.44Å; V47-L101 HydrophobicContact CG1-CD1 3.77Å; F72-L101 HydrophobicContact CD1-CB 3.96Å; F72-L101 HydrophobicContact CD1-CD1 4.09Å; F72-L101 HydrophobicContact CD1-CG 4.47Å; F72-L101 HydrophobicContact CE1-CB 4.33Å; F72-L101 HydrophobicContact CE1-CD1 4.05Å; V74-L101 HydrophobicContact CG1-CD2 3.46Å; V74-L101 VanDerWaalsContact CG1-CD2 3.46Å; L91-L101 HydrophobicContact CD1-CD1 4.32Å; L91-L101 HydrophobicContact CD1-CD2 4.44Å; L94-L101 HydrophobicContact CD1-CD2 4.35Å; M96-L101 HydrophobicContact SD-CD2 4.07Å |
| 102 | C | 96.8 | Very high | 89.5 | Confident | 29 Ų | 29 | 52 Ų | 52 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.5 | 170.3 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | L27 F72 M73 | L27-C102 HydrophobicContact CB-CB 4.27Å; L27-C102 HydrophobicContact CD1-CB 4.31Å; F72-C102 CarbonylContact C-O 3.25Å; F72-C102 WeakPolarHBondContact CA-O 3.46Å; M73-C102 HydrophobicContact CB-CB 4.4Å; M73-C102 HydrophobicContact CE-CB 3.66Å; M73-C102 PolarHBondContact N-O 3.41Å; M73-C102 PolarHBondContact O-N 2.79Å; M73-C102 HydrophobicContact SD-CB 4.49Å |
| 103 | L | 95.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123.9 | 178.5 | -174.7 | 76.3 | 0 | 0 | 0 | 108.7 | L27 M28 P29 L51 W52 Y70 F72 | L27-L103 PolarHBondContact O-N 3.3Å; M28-L103 HydrophobicContact CE-CD2 4.09Å; M28-L103 HydrophobicContact SD-CD2 3.96Å; P29-L103 HydrophobicContact CG-CD2 4.14Å; P29-L103 HydrophobicContact CG-CG 4.31Å; P29-L103 WeakPolarHBondContact CG-O 3.4Å; L51-L103 HydrophobicContact CD2-CD2 4.13Å; W52-L103 HydrophobicContact CH2-CD1 4.31Å; W52-L103 HydrophobicContact CH2-CD2 3.33Å; W52-L103 HydrophobicContact CH2-CG 4.35Å; W52-L103 HydrophobicContact CZ2-CD2 4.39Å; W52-L103 HydrophobicContact CZ3-CD1 4.22Å; W52-L103 HydrophobicContact CZ3-CD2 3.5Å; W52-L103 VanDerWaalsContact CZ3-CD2 3.5Å; W52-L103 HydrophobicContact CZ3-CG 4.5Å; Y70-L103 VanDerWaalsContact CB-CD1 3.46Å; Y70-L103 HydrophobicContact CD1-CG 4.36Å; Y70-L103 HydrophobicContact CD2-CD2 4.36Å; Y70-L103 HydrophobicContact CG-CD1 4.36Å; Y70-L103 HydrophobicContact CG-CD2 4.13Å; Y70-L103 HydrophobicContact CG-CG 4.01Å; F72-L103 HydrophobicContact CD1-CD1 4.14Å; F72-L103 HydrophobicContact CE1-CD1 4.05Å; F72-L103 HydrophobicContact CZ-CD1 4.44Å |
| 104 | L | 93.4 | Very high | 89.2 | Confident | 41 Ų | 41 | 55.4 Ų | 55.4 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 157.1 | -175.7 | 64.2 | 86.5 | 0 | 0 | 0 | 112.6 | Y70 V71 M73 E83 | Y70-L104 CarbonylContact C-O 3.25Å; Y70-L104 WeakPolarHBondContact CA-O 3.48Å; V71-L104 HydrophobicContact CG2-CD1 3.8Å; V71-L104 HydrophobicContact CG2-CG 4.36Å; V71-L104 PolarHBondContact N-O 2.74Å; V71-L104 PolarHBondContact O-N 2.61Å; M73-L104 HydrophobicContact CB-CD2 3.55Å; M73-L104 HydrophobicContact CB-CG 4.35Å; M73-L104 HydrophobicContact CE-CD2 4.28Å; M73-L104 HydrophobicContact CG-CD2 4.06Å; E83-L104 HydrophobicContact CG-CD1 4.47Å |
| 105 | E | 89.8 | Confident | 89.3 | Confident | 114 Ų | 114 | 56 Ų | 56 | 53% | 0.533 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 121.8 | 171.8 | -170.3 | 176.1 | -178.4 | 0 | 0 | 109 | Y70 V107 | Y70-E105 HydrophobicContact CD1-CB 4.48Å; E105-V107 PolarHBondContact O-N 2.74Å |
| 106 | P | 83.8 | Confident | 89.6 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -69 | 126.1 | -175.3 | 27.5 | -34.3 | 0 | 0 | 0 | 111.6 | T69 V71 Y85 L110 | T69-P106 WeakPolarHBondContact O-CD 3.49Å; V71-P106 HydrophobicContact CG1-CB 4.28Å; V71-P106 HydrophobicContact CG1-CG 4.02Å; V71-P106 HydrophobicContact CG2-CB 3.89Å; V71-P106 HydrophobicContact CG2-CG 4.27Å; Y85-P106 HydrophobicContact CE1-CB 4.22Å; P106-L110 HydrophobicContact CB-CD2 3.59Å; P106-L110 HydrophobicContact CG-CD2 3.53Å |
| 107 | V | 81.8 | Confident | 89.5 | Confident | 118 Ų | 118 | 55.7 Ų | 55.7 | 72% | 0.715 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -92.4 | 126 | 178.7 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | E105 K113 | E105-V107 PolarHBondContact O-N 2.74Å; V107-K113 WeakPolarHBondContact O-CE 3.39Å; V107-K113 PolarHBondContact O-NZ 2.87Å |
| 108 | G | 80.6 | Confident | 89.5 | Confident | 60 Ų | 60 | 53 Ų | 53 | 62% | 0.619 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 105.4 | -162.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L110 | G108-L110 PolarHBondContact O-N 3.03Š|
| 109 | N | 84.2 | Confident | 89.6 | Confident | 77 Ų | 77 | 45.4 Ų | 45.4 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | trans | -78 | 112.3 | -178.1 | -176.1 | -58.2 | 0 | 0 | 0 | 110.9 | E111 E112 K113 | N109-E111 PolarHBondContact O-N 3.16Å; N109-E111 WeakPolarHBondContact OD1-CB 3.19Å; N109-E111 PolarHBondContact OD1-N 3.23Å; N109-E112 HydrophobicContact CB-CB 4.12Å; N109-E112 PolarHBondContact O-N 3.27Å; N109-E112 PolarHBondContact OD1-N 3.12Å; N109-K113 WeakPolarHBondContact O-CG 3.3Å; N109-K113 PolarHBondContact O-N 3Å | ||
| 110 | L | 83.6 | Confident | 89.5 | Confident | 92 Ų | 92 | 45.6 Ų | 45.6 | 48% | 0.482 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | -177.2 | -66.9 | 173.1 | 0 | 0 | 0 | 113.6 | Y85 P106 G108 K113 S114 | Y85-L110 HydrophobicContact CD1-CD2 4.47Å; Y85-L110 HydrophobicContact CE1-CD2 3.71Å; P106-L110 HydrophobicContact CB-CD2 3.59Å; P106-L110 HydrophobicContact CG-CD2 3.53Å; G108-L110 PolarHBondContact O-N 3.03Å; L110-K113 PolarHBondContact O-N 3.27Å; L110-S114 WeakPolarHBondContact O-CB 3.11Å; L110-S114 PolarHBondContact O-N 2.93Å |
| 111 | E | 85.7 | Confident | 89.2 | Confident | 120 Ų | 120 | 45.4 Ų | 45.4 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.1 | -45.6 | -179.9 | -170.1 | -176.8 | -173.2 | 0 | 0 | 110.7 | N109 K113 S114 V115 L309 | N109-E111 PolarHBondContact O-N 3.16Å; N109-E111 WeakPolarHBondContact OD1-CB 3.19Å; N109-E111 PolarHBondContact OD1-N 3.23Å; E111-K113 PolarHBondContact O-N 3.44Å; E111-S114 PolarHBondContact O-N 3.07Å; E111-V115 WeakPolarHBondContact O-CG2 3.48Å; E111-V115 PolarHBondContact O-N 3.24Å; E111-L309 HydrophobicContact CG-CD2 4.24Å |
| 112 | E | 89.1 | Confident | 89.1 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 8% | 0.075 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 175.8 | -173.9 | 176 | 165.7 | 0 | 0 | 111.9 | N109 V115 N116 L309 S312 | N109-E112 HydrophobicContact CB-CB 4.12Å; N109-E112 PolarHBondContact O-N 3.27Å; N109-E112 PolarHBondContact OD1-N 3.12Å; E112-V115 PolarHBondContact O-N 3.48Å; E112-N116 VanDerWaalsContact O-CB 3.3Å; E112-N116 WeakPolarHBondContact O-CB 3.14Å; E112-N116 PolarHBondContact O-N 3.34Å; E112-N116 PolarHBondContact O-ND2 2.89Å; E112-L309 VanDerWaalsContact CA-CD2 3.43Å; E112-L309 HydrophobicContact CB-CD2 3.86Å; E112-L309 HydrophobicContact CG-CD2 4.33Å; E112-S312 VanDerWaalsContact CD-N 3.32Å; E112-S312 WeakPolarHBondContact OE1-CB 3.25Å; E112-S312 PolarHBondContact OE1-N 2.97Å; E112-S312 PolarHBondContact OE1-OG 2.99Å; E112-S312 WeakPolarHBondContact OE2-CB 3.33Å; E112-S312 PolarHBondContact OE2-N 3.37Å |
| 113 | K | 86.6 | Confident | 88.9 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 23% | 0.226 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 176.4 | -77 | -164.2 | 170.3 | -174.5 | 0 | 112.2 | E83 Y85 V107 N109 L110 E111 N116 Y117 | E83-K113 IonicContact OE1-NZ 2.94Å; E83-K113 PolarHBondContact OE1-NZ 3.1Å; E83-K113 IonicContact OE2-NZ 3.96Å; E83-K113 PolarHBondContact OE2-NZ 3.33Å; Y85-K113 HydrophobicContact CE2-CB 3.93Å; Y85-K113 HydrophobicContact CE2-CD 4.43Å; Y85-K113 WeakPolarHBondContact OH-CD 3.33Å; V107-K113 WeakPolarHBondContact O-CE 3.39Å; V107-K113 PolarHBondContact O-NZ 2.87Å; N109-K113 WeakPolarHBondContact O-CG 3.3Å; N109-K113 PolarHBondContact O-N 3Å; L110-K113 PolarHBondContact O-N 3.27Å; E111-K113 PolarHBondContact O-N 3.44Å; K113-N116 PolarHBondContact O-N 3.48Å; K113-Y117 VanDerWaalsContact O-CB 3.23Å; K113-Y117 WeakPolarHBondContact O-CB 3.38Å; K113-Y117 PolarHBondContact O-N 3.12Å |
| 114 | S | 86.9 | Confident | 88.4 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 33% | 0.329 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 175.6 | -176 | 0 | 0 | 0 | 0 | 111.7 | L110 E111 Y117 L118 | L110-S114 WeakPolarHBondContact O-CB 3.11Å; L110-S114 PolarHBondContact O-N 2.93Å; E111-S114 PolarHBondContact O-N 3.07Å; S114-Y117 WeakPolarHBondContact O-CB 3.17Å; S114-Y117 PolarHBondContact O-N 2.62Å; S114-L118 WeakPolarHBondContact O-CG 3.41Å; S114-L118 PolarHBondContact O-N 3.05Å |
| 115 | V | 90.9 | Very high | 87.9 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 176.7 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | E111 E112 Y117 L118 I119 W306 L309 | E111-V115 WeakPolarHBondContact O-CG2 3.48Å; E111-V115 PolarHBondContact O-N 3.24Å; E112-V115 PolarHBondContact O-N 3.48Å; V115-Y117 VanDerWaalsContact C-N 3.25Å; V115-Y117 PolarHBondContact O-N 3.45Å; V115-L118 PolarHBondContact O-N 3.23Å; V115-I119 HydrophobicContact CG1-CD1 3.78Å; V115-I119 HydrophobicContact CG1-CG1 4.37Å; V115-I119 VanDerWaalsContact O-CG1 3.25Å; V115-I119 WeakPolarHBondContact O-CG1 3.46Å; V115-I119 PolarHBondContact O-N 3.43Å; V115-W306 HydrophobicContact CG2-CZ2 4.13Å; V115-L309 HydrophobicContact CB-CD2 4.44Å; V115-L309 HydrophobicContact CG2-CD2 4.18Å |
| 116 | N | 91.9 | Very high | 87.6 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -36 | 177.3 | -72.4 | -10.5 | 0 | 0 | 0 | 112 | E112 K113 S120 R723 | E112-N116 VanDerWaalsContact O-CB 3.3Å; E112-N116 WeakPolarHBondContact O-CB 3.14Å; E112-N116 PolarHBondContact O-N 3.34Å; E112-N116 PolarHBondContact O-ND2 2.89Å; K113-N116 PolarHBondContact O-N 3.48Å; N116-S120 WeakPolarHBondContact O-CB 3.44Å; N116-S120 PolarHBondContact O-N 3.36Å; N116-S120 PolarHBondContact O-OG 3.24Å; N116-R723 VanDerWaalsContact OD1-CZ 3.32Å; N116-R723 PolarHBondContact OD1-NH1 3.07Å; N116-R723 PolarHBondContact OD1-NH2 3.24Å |
| 117 | Y | 88.8 | Confident | 87.7 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 11% | 0.106 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -49.3 | 173.5 | 167.3 | -90.1 | 0 | 0 | 0 | 111.1 | E82 R89 K113 S114 V115 I119 S120 Q121 | E82-Y117 HydrophobicContact CG-CD2 4.44Å; E82-Y117 HydrophobicContact CG-CE2 4.15Å; E82-Y117 VanDerWaalsContact OE1-CE2 3.28Å; E82-Y117 WeakPolarHBondContact OE1-CE2 3.41Å; R89-Y117 VanDerWaalsContact CD-OH 3.29Å; R89-Y117 WeakPolarHBondContact CD-OH 3.41Å; R89-Y117 PolarHBondContact NE-OH 2.81Å; R89-Y117 PolarHBondContact NH1-OH 3.11Å; K113-Y117 VanDerWaalsContact O-CB 3.23Å; K113-Y117 WeakPolarHBondContact O-CB 3.38Å; K113-Y117 PolarHBondContact O-N 3.12Å; S114-Y117 WeakPolarHBondContact O-CB 3.17Å; S114-Y117 PolarHBondContact O-N 2.62Å; V115-Y117 VanDerWaalsContact C-N 3.25Å; V115-Y117 PolarHBondContact O-N 3.45Å; Y117-I119 VanDerWaalsContact C-N 3.33Å; Y117-I119 PolarHBondContact O-N 2.87Å; Y117-S120 WeakPolarHBondContact O-CB 3.42Å; Y117-S120 PolarHBondContact O-N 3.23Å; Y117-S120 VanDerWaalsContact O-N 3.09Å; Y117-Q121 HydrophobicContact CD1-CG 4.47Å; Y117-Q121 HydrophobicContact CE1-CG 4Å; Y117-Q121 HydrophobicContact CE2-CG 4.18Å; Y117-Q121 WeakPolarHBondContact O-CG 3.15Å; Y117-Q121 PolarHBondContact O-N 3.18Å |
| 118 | L | 92.1 | Very high | 87.8 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.1 | -41.9 | 176.5 | -68.9 | 175.8 | 0 | 0 | 0 | 112.4 | S114 V115 S120 Q121 A122 W306 L729 V733 | S114-L118 WeakPolarHBondContact O-CG 3.41Å; S114-L118 PolarHBondContact O-N 3.05Å; V115-L118 PolarHBondContact O-N 3.23Å; L118-S120 VanDerWaalsContact C-N 3.33Å; L118-Q121 PolarHBondContact O-N 3.33Å; L118-A122 PolarHBondContact O-N 3.14Å; L118-W306 HydrophobicContact CD1-CH2 4.09Å; L118-L729 HydrophobicContact CB-CD2 3.92Å; L118-L729 HydrophobicContact CB-CG 4.25Å; L118-V733 HydrophobicContact CB-CG2 4.37Å; L118-V733 HydrophobicContact CD2-CG2 4.27Å; L118-V733 WeakPolarHBondContact O-CG2 3.39Å |
| 119 | I | 94.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -46 | 174.3 | -64.2 | 162.8 | 0 | 0 | 0 | 109.8 | V115 Y117 Q121 A122 V123 V127 E719 C722 R723 L729 | V115-I119 HydrophobicContact CG1-CD1 3.78Å; V115-I119 HydrophobicContact CG1-CG1 4.37Å; V115-I119 VanDerWaalsContact O-CG1 3.25Å; V115-I119 WeakPolarHBondContact O-CG1 3.46Å; V115-I119 PolarHBondContact O-N 3.43Å; Y117-I119 VanDerWaalsContact C-N 3.33Å; Y117-I119 PolarHBondContact O-N 2.87Å; I119-Q121 VanDerWaalsContact C-N 3.29Å; I119-Q121 PolarHBondContact O-N 3.33Å; I119-A122 PolarHBondContact O-N 2.77Å; I119-V123 HydrophobicContact CG2-CG2 3.94Å; I119-V123 WeakPolarHBondContact O-CB 3.37Å; I119-V123 VanDerWaalsContact O-CG2 3.23Å; I119-V123 WeakPolarHBondContact O-CG2 3.21Å; I119-V123 PolarHBondContact O-N 3.41Å; I119-V127 HydrophobicContact CB-CG2 3.97Å; I119-V127 HydrophobicContact CG2-CG2 3.52Å; I119-E719 HydrophobicContact CG2-CG 4.3Å; I119-C722 HydrophobicContact CB-CB 4.34Å; I119-C722 HydrophobicContact CG1-CB 3.79Å; I119-C722 HydrophobicContact CG2-CB 4.04Å; I119-R723 HydrophobicContact CD1-CG 3.46Å; I119-R723 VanDerWaalsContact CD1-CG 3.46Å; I119-L729 HydrophobicContact CG1-CD2 4.08Å |
| 120 | S | 91.6 | Very high | 88 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.9 | -39.7 | -179.4 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | N116 Y117 L118 G124 R125 V127 | N116-S120 WeakPolarHBondContact O-CB 3.44Å; N116-S120 PolarHBondContact O-N 3.36Å; N116-S120 PolarHBondContact O-OG 3.24Å; Y117-S120 WeakPolarHBondContact O-CB 3.42Å; Y117-S120 PolarHBondContact O-N 3.23Å; Y117-S120 VanDerWaalsContact O-N 3.09Å; L118-S120 VanDerWaalsContact C-N 3.33Å; S120-G124 WeakPolarHBondContact O-CA 3.09Å; S120-G124 PolarHBondContact O-N 3.36Å; S120-R125 VanDerWaalsContact CA-O 3.29Å; S120-R125 WeakPolarHBondContact CA-O 3.32Å; S120-R125 PolarHBondContact O-N 3.04Å; S120-V127 PolarHBondContact OG-N 3.11Å; S120-V127 VanDerWaalsContact OG-N 3.1Å |
| 121 | Q | 89.8 | Confident | 88 | Confident | 39 Ų | 39 | 36.5 Ų | 36.5 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -46.9 | 174.6 | -67 | -65 | -42.9 | 0 | 0 | 111.7 | E82 Y117 L118 I119 G124 V733 | E82-Q121 PolarHBondContact OE1-NE2 2.81Å; Y117-Q121 HydrophobicContact CD1-CG 4.47Å; Y117-Q121 HydrophobicContact CE1-CG 4Å; Y117-Q121 HydrophobicContact CE2-CG 4.18Å; Y117-Q121 WeakPolarHBondContact O-CG 3.15Å; Y117-Q121 PolarHBondContact O-N 3.18Å; L118-Q121 PolarHBondContact O-N 3.33Å; I119-Q121 VanDerWaalsContact C-N 3.29Å; I119-Q121 PolarHBondContact O-N 3.33Å; Q121-G124 PolarHBondContact O-N 2.94Å; Q121-V733 HydrophobicContact CB-CG1 4.14Å; Q121-V733 HydrophobicContact CB-CG2 4.31Å |
| 122 | A | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | L118 I119 G124 F698 R702 L729 V733 | L118-A122 PolarHBondContact O-N 3.14Å; I119-A122 PolarHBondContact O-N 2.77Å; A122-G124 VanDerWaalsContact C-N 3.34Å; A122-F698 HydrophobicContact CB-CE2 4.08Å; A122-F698 HydrophobicContact CB-CZ 4.21Å; A122-F698 WeakPolarHBondContact O-CZ 3.39Å; A122-R702 PolarHBondContact O-NE 3.4Å; A122-L729 HydrophobicContact CB-CD1 3.98Å; A122-V733 HydrophobicContact CB-CG2 3.97Å |
| 123 | V | 92.1 | Very high | 87.1 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.5 | -29.6 | -179.8 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | I119 R125 L705 A715 L718 | I119-V123 HydrophobicContact CG2-CG2 3.94Å; I119-V123 WeakPolarHBondContact O-CB 3.37Å; I119-V123 VanDerWaalsContact O-CG2 3.23Å; I119-V123 WeakPolarHBondContact O-CG2 3.21Å; I119-V123 PolarHBondContact O-N 3.41Å; V123-R125 VanDerWaalsContact C-N 3.29Å; V123-R125 HydrophobicContact CG1-CB 4.17Å; V123-L705 HydrophobicContact CG1-CD1 3.84Å; V123-L705 WeakPolarHBondContact O-CD1 3.4Å; V123-A715 HydrophobicContact CG1-CB 4.49Å; V123-L718 HydrophobicContact CG1-CD1 4.36Å; V123-L718 HydrophobicContact CG2-CB 3.87Å |
| 124 | G | 85.4 | Confident | 86.9 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 18.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S120 Q121 A122 | S120-G124 WeakPolarHBondContact O-CA 3.09Å; S120-G124 PolarHBondContact O-N 3.36Å; Q121-G124 PolarHBondContact O-N 2.94Å; A122-G124 VanDerWaalsContact C-N 3.34Å |
| 125 | R | 83 | Confident | 86.8 | Confident | 86 Ų | 86 | 48.4 Ų | 48.4 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -145.6 | 140 | 175.3 | -74.5 | -169.4 | 156.9 | -136.7 | 4.4 | 110.7 | S120 V123 V127 E129 | S120-R125 VanDerWaalsContact CA-O 3.29Å; S120-R125 WeakPolarHBondContact CA-O 3.32Å; S120-R125 PolarHBondContact O-N 3.04Å; V123-R125 VanDerWaalsContact C-N 3.29Å; V123-R125 HydrophobicContact CG1-CB 4.17Å; R125-V127 PolarHBondContact O-N 2.89Å; R125-E129 IonicContact CZ-OE2 2.65Å; R125-E129 IonicContact NH1-OE2 3.09Å; R125-E129 PolarHBondContact NH1-OE2 3.39Å |
| 126 | P | 82.9 | Confident | 86.7 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | trans | -64.5 | 128.9 | 176.5 | -23.6 | 35.9 | 0 | 0 | 0 | 112.5 | K80 S128 E129 | K80-P126 HydrophobicContact CD-CG 3.67Å; P126-S128 WeakPolarHBondContact CB-OG 3.47Å; P126-S128 PolarHBondContact O-N 2.94Å; P126-S128 VanDerWaalsContact O-N 3.17Å; P126-E129 WeakPolarHBondContact O-CB 3.43Å; P126-E129 WeakPolarHBondContact O-CG 3.14Å; P126-E129 PolarHBondContact O-N 3.14Å; P126-E129 VanDerWaalsContact O-N 3.12Å | ||
| 127 | V | 86.5 | Confident | 86.6 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.4 | 173.6 | 176.8 | 0 | 0 | 0 | 0 | 112 | I119 S120 R125 E129 F130 E719 | I119-V127 HydrophobicContact CB-CG2 3.97Å; I119-V127 HydrophobicContact CG2-CG2 3.52Å; S120-V127 PolarHBondContact OG-N 3.11Å; S120-V127 VanDerWaalsContact OG-N 3.1Å; R125-V127 PolarHBondContact O-N 2.89Å; V127-E129 PolarHBondContact O-N 3.17Å; V127-F130 WeakPolarHBondContact O-CB 3.29Å; V127-F130 PolarHBondContact O-N 3.23Å; V127-E719 HydrophobicContact CG1-CG 4.39Å; V127-E719 WeakPolarHBondContact CG1-OE1 3.36Å; V127-E719 HydrophobicContact CG2-CG 4.49Å |
| 128 | S | 83.5 | Confident | 86.7 | Confident | 62 Ų | 62 | 49 Ų | 49 | 43% | 0.434 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.6 | -23.2 | 176.1 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | P126 F130 D131 D132 | P126-S128 WeakPolarHBondContact CB-OG 3.47Å; P126-S128 PolarHBondContact O-N 2.94Å; P126-S128 VanDerWaalsContact O-N 3.17Å; S128-F130 PolarHBondContact O-N 2.99Å; S128-F130 VanDerWaalsContact O-N 3.13Å; S128-D131 PolarHBondContact O-N 2.94Å; S128-D132 PolarHBondContact O-N 3.45Å |
| 129 | E | 82 | Confident | 86.6 | Confident | 70 Ų | 70 | 50.6 Ų | 50.6 | 33% | 0.327 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.2 | -29.6 | 172.9 | -70.5 | -173.6 | 177.9 | 0 | 0 | 112.3 | K80 R125 P126 V127 | K80-E129 IonicContact NZ-OE1 2.72Å; K80-E129 PolarHBondContact NZ-OE1 2.97Å; R125-E129 IonicContact CZ-OE2 2.65Å; R125-E129 IonicContact NH1-OE2 3.09Å; R125-E129 PolarHBondContact NH1-OE2 3.39Å; P126-E129 WeakPolarHBondContact O-CB 3.43Å; P126-E129 WeakPolarHBondContact O-CG 3.14Å; P126-E129 PolarHBondContact O-N 3.14Å; P126-E129 VanDerWaalsContact O-N 3.12Å; V127-E129 PolarHBondContact O-N 3.17Å |
| 130 | F | 86.8 | Confident | 86.4 | Confident | 20 Ų | 20 | 54.9 Ų | 54.9 | 9% | 0.088 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -87.3 | -28.2 | 178 | -60 | -36.6 | 0 | 0 | 0 | 113.6 | V127 S128 D132 S133 L138 R142 T712 A715 L716 E719 | V127-F130 WeakPolarHBondContact O-CB 3.29Å; V127-F130 PolarHBondContact O-N 3.23Å; S128-F130 PolarHBondContact O-N 2.99Å; S128-F130 VanDerWaalsContact O-N 3.13Å; F130-D132 VanDerWaalsContact C-N 3.28Å; F130-D132 PolarHBondContact O-N 3.38Å; F130-S133 PolarHBondContact O-N 3.37Å; F130-L138 HydrophobicContact CB-CD2 4.27Å; F130-L138 HydrophobicContact CD1-CD1 4.02Å; F130-L138 HydrophobicContact CE1-CD1 4.5Å; F130-R142 VanDerWaalsContact C-NH1 3.34Å; F130-R142 VanDerWaalsContact CB-CZ 3.46Å; F130-R142 PolarHBondContact O-NH1 3.14Å; F130-T712 HydrophobicContact CE1-CG2 4.47Å; F130-A715 HydrophobicContact CE1-CB 4.48Å; F130-A715 HydrophobicContact CE2-CB 4.33Å; F130-A715 HydrophobicContact CZ-CB 3.56Å; F130-L716 HydrophobicContact CD1-CD2 4.47Å; F130-L716 HydrophobicContact CD2-CD2 4.22Å; F130-L716 HydrophobicContact CE1-CD2 4.31Å; F130-L716 HydrophobicContact CE1-CG 4.41Å; F130-L716 HydrophobicContact CE2-CD2 4.05Å; F130-L716 HydrophobicContact CE2-CG 4.5Å; F130-L716 HydrophobicContact CG-CD2 4.41Å; F130-L716 HydrophobicContact CZ-CD2 4.07Å; F130-L716 HydrophobicContact CZ-CG 4.12Å; F130-E719 HydrophobicContact CE2-CB 4.42Å |
| 131 | D | 83.5 | Confident | 86.5 | Confident | 55 Ų | 55 | 53.8 Ų | 53.8 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.8 | -30.3 | -178 | -64.9 | -26.7 | 0 | 0 | 0 | 111.6 | S128 R142 | S128-D131 PolarHBondContact O-N 2.94Å; D131-R142 IonicContact OD1-CZ 3.43Å; D131-R142 IonicContact OD1-NH1 3.1Å; D131-R142 PolarHBondContact OD1-NH1 2.91Å; D131-R142 IonicContact OD1-NH2 2.81Å; D131-R142 PolarHBondContact OD1-NH2 3.35Å |
| 132 | D | 75 | Confident | 86.7 | Confident | 136 Ų | 136 | 52.6 Ų | 52.6 | 73% | 0.727 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -9.5 | 178.4 | -66.7 | -27.4 | 0 | 0 | 0 | 113.5 | S128 F130 | S128-D132 PolarHBondContact O-N 3.45Å; F130-D132 VanDerWaalsContact C-N 3.28Å; F130-D132 PolarHBondContact O-N 3.38Å |
| 133 | S | 81.6 | Confident | 86.7 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | trans | -73 | 134.4 | -177.5 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | F130 D135 | F130-S133 PolarHBondContact O-N 3.37Å; S133-D135 WeakPolarHBondContact OG-CB 3.46Å; S133-D135 PolarHBondContact OG-N 3.41Å | ||
| 134 | R | 82.4 | Confident | 86.8 | Confident | 241 Ų | 241 | 57.4 Ų | 57.4 | 91% | 0.909 | 29% | 0.294 | S | S | * | . | trans | -95.8 | 2.7 | 172 | -61.2 | -174.4 | -178.1 | -173 | 0.5 | 113 | A136 | R134-A136 PolarHBondContact O-N 3.09Š| ||
| 135 | D | 84.9 | Confident | 87.4 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | trans | -69.2 | 116.5 | 179.5 | -176.8 | -5.5 | 0 | 0 | 0 | 110.4 | S133 E137 L138 I139 | S133-D135 WeakPolarHBondContact OG-CB 3.46Å; S133-D135 PolarHBondContact OG-N 3.41Å; D135-E137 VanDerWaalsContact C-N 3.32Å; D135-E137 PolarHBondContact O-N 3.02Å; D135-E137 WeakPolarHBondContact OD1-CB 2.98Å; D135-E137 PolarHBondContact OD1-N 3.49Å; D135-L138 HydrophobicContact CB-CB 3.92Å; D135-L138 PolarHBondContact O-N 3.23Å; D135-I139 WeakPolarHBondContact O-CG1 3.21Å; D135-I139 PolarHBondContact O-N 2.84Å | ||
| 136 | A | 87.8 | Confident | 88 | Confident | 42 Ų | 42 | 51.6 Ų | 51.6 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.8 | -30.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R134 K140 Y435 | R134-A136 PolarHBondContact O-N 3.09Å; A136-K140 WeakPolarHBondContact O-CB 3.48Å; A136-K140 PolarHBondContact O-N 2.76Å; A136-K140 VanDerWaalsContact O-N 3.09Å; A136-Y435 WeakPolarHBondContact CB-OH 3.13Å |
| 137 | E | 90 | Very high | 88.7 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 12% | 0.121 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66 | -45.9 | 175.1 | -169.8 | 178.7 | 169 | 0 | 0 | 110.1 | D135 K140 A141 Y435 F674 L675 | D135-E137 VanDerWaalsContact C-N 3.32Å; D135-E137 PolarHBondContact O-N 3.02Å; D135-E137 WeakPolarHBondContact OD1-CB 2.98Å; D135-E137 PolarHBondContact OD1-N 3.49Å; E137-K140 PolarHBondContact O-N 2.86Å; E137-A141 WeakPolarHBondContact O-CB 3.29Å; E137-A141 PolarHBondContact O-N 2.77Å; E137-Y435 HydrophobicContact CB-CD1 3.68Å; E137-Y435 HydrophobicContact CB-CD2 4.38Å; E137-Y435 HydrophobicContact CB-CE1 3.8Å; E137-Y435 HydrophobicContact CB-CE2 4.47Å; E137-Y435 HydrophobicContact CB-CG 4Å; E137-Y435 HydrophobicContact CG-CD1 3.86Å; E137-Y435 HydrophobicContact CG-CD2 4.19Å; E137-Y435 HydrophobicContact CG-CE1 4.44Å; E137-Y435 HydrophobicContact CG-CG 3.73Å; E137-F674 WeakPolarHBondContact OE1-CA 3.3Å; E137-F674 VanDerWaalsContact OE1-CB 3.25Å; E137-F674 WeakPolarHBondContact OE1-CB 3.46Å; E137-L675 HydrophobicContact CB-CD1 4.4Å; E137-L675 HydrophobicContact CG-CB 4.14Å; E137-L675 HydrophobicContact CG-CD1 4.12Å; E137-L675 HydrophobicContact CG-CG 4.19Å; E137-L675 PolarHBondContact OE1-N 3Å |
| 138 | L | 91.2 | Very high | 89.2 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 178 | -177.1 | 154.7 | 0 | 0 | 0 | 112 | F130 D135 K140 A141 R142 L675 T712 L716 | F130-L138 HydrophobicContact CB-CD2 4.27Å; F130-L138 HydrophobicContact CD1-CD1 4.02Å; F130-L138 HydrophobicContact CE1-CD1 4.5Å; D135-L138 HydrophobicContact CB-CB 3.92Å; D135-L138 PolarHBondContact O-N 3.23Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.33Å; L138-A141 PolarHBondContact O-N 3.2Å; L138-R142 HydrophobicContact CD2-CG 4.26Å; L138-R142 WeakPolarHBondContact O-CG 3.45Å; L138-R142 PolarHBondContact O-N 3.16Å; L138-L675 HydrophobicContact CB-CD1 3.88Å; L138-T712 HydrophobicContact CD1-CG2 3.93Å; L138-L716 HydrophobicContact CG-CD1 4.39Å; L138-L716 HydrophobicContact CG-CD2 4.42Å |
| 139 | I | 90.6 | Very high | 89.8 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 33% | 0.328 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 178.5 | -67.7 | 165.6 | 0 | 0 | 0 | 110.5 | D135 A141 R142 M143 | D135-I139 WeakPolarHBondContact O-CG1 3.21Å; D135-I139 PolarHBondContact O-N 2.84Å; I139-A141 VanDerWaalsContact C-N 3.35Å; I139-R142 PolarHBondContact O-N 2.85Å; I139-M143 WeakPolarHBondContact O-CG 3.47Å; I139-M143 PolarHBondContact O-N 3.31Å |
| 140 | K | 90.7 | Very high | 90.4 | Very high | 90 Ų | 90 | 50.4 Ų | 50.4 | 39% | 0.391 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.3 | -45 | 175.6 | 179.5 | -178.5 | 171 | -174 | 0 | 111 | A136 E137 L138 R142 M143 E144 Y435 | A136-K140 WeakPolarHBondContact O-CB 3.48Å; A136-K140 PolarHBondContact O-N 2.76Å; A136-K140 VanDerWaalsContact O-N 3.09Å; E137-K140 PolarHBondContact O-N 2.86Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.33Å; K140-R142 PolarHBondContact O-N 3.3Å; K140-M143 PolarHBondContact O-N 3.46Å; K140-E144 WeakPolarHBondContact CE-OE1 3.39Å; K140-E144 IonicContact NZ-OE1 3.64Å; K140-E144 PolarHBondContact O-N 2.92Å; K140-Y435 HydrophobicContact CD-CD2 4.37Å; K140-Y435 HydrophobicContact CD-CE2 4.23Å |
| 141 | A | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | E137 L138 I139 M143 E144 Y145 L675 V676 L716 | E137-A141 WeakPolarHBondContact O-CB 3.29Å; E137-A141 PolarHBondContact O-N 2.77Å; L138-A141 PolarHBondContact O-N 3.2Å; I139-A141 VanDerWaalsContact C-N 3.35Å; A141-M143 VanDerWaalsContact C-N 3.26Å; A141-M143 PolarHBondContact O-N 3.13Å; A141-E144 PolarHBondContact O-N 2.78Å; A141-Y145 HydrophobicContact CB-CD2 4.44Å; A141-Y145 HydrophobicContact CB-CE2 4.29Å; A141-Y145 VanDerWaalsContact O-CD2 3.24Å; A141-Y145 WeakPolarHBondContact O-CD2 2.91Å; A141-Y145 PolarHBondContact O-N 3.27Å; A141-L675 HydrophobicContact CB-CB 3.83Å; A141-V676 HydrophobicContact CB-CG2 3.46Å; A141-V676 VanDerWaalsContact CB-CG2 3.46Å; A141-L716 HydrophobicContact CB-CD1 4.04Å |
| 142 | R | 94.2 | Very high | 91.3 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 5% | 0.053 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.7 | -40.8 | 176.3 | -72.3 | -178.4 | 81.2 | -160.6 | -0.9 | 112.4 | F130 D131 L138 I139 K140 F146 F313 L716 E719 | F130-R142 VanDerWaalsContact C-NH1 3.34Å; F130-R142 VanDerWaalsContact CB-CZ 3.46Å; F130-R142 PolarHBondContact O-NH1 3.14Å; D131-R142 IonicContact OD1-CZ 3.43Å; D131-R142 IonicContact OD1-NH1 3.1Å; D131-R142 PolarHBondContact OD1-NH1 2.91Å; D131-R142 IonicContact OD1-NH2 2.81Å; D131-R142 PolarHBondContact OD1-NH2 3.35Å; L138-R142 HydrophobicContact CD2-CG 4.26Å; L138-R142 WeakPolarHBondContact O-CG 3.45Å; L138-R142 PolarHBondContact O-N 3.16Å; I139-R142 PolarHBondContact O-N 2.85Å; K140-R142 PolarHBondContact O-N 3.3Å; R142-F146 WeakPolarHBondContact O-CB 3.25Å; R142-F146 PolarHBondContact O-N 3.21Å; R142-F146 VanDerWaalsContact O-N 3.1Å; R142-F313 HydrophobicContact CB-CD2 4.4Å; R142-F313 HydrophobicContact CB-CE2 4.03Å; R142-L716 HydrophobicContact CG-CD2 3.22Å; R142-E719 IonicContact CZ-OE1 2.81Å; R142-E719 IonicContact CZ-OE2 2.86Å; R142-E719 IonicContact NE-OE1 2.97Å; R142-E719 IonicContact NE-OE2 3.5Å; R142-E719 PolarHBondContact NE-OE2 3.43Å; R142-E719 IonicContact NH2-OE1 3.31Å; R142-E719 PolarHBondContact NH2-OE1 2.94Å; R142-E719 IonicContact NH2-OE2 3.52Å |
| 143 | M | 92.8 | Very high | 92.1 | Very high | 57 Ų | 57 | 46 Ų | 46 | 28% | 0.281 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.4 | -46.3 | 178 | -66.1 | 176.3 | 74.6 | 0 | 0 | 113 | I139 K140 A141 F146 T147 Q317 | I139-M143 WeakPolarHBondContact O-CG 3.47Å; I139-M143 PolarHBondContact O-N 3.31Å; K140-M143 PolarHBondContact O-N 3.46Å; A141-M143 VanDerWaalsContact C-N 3.26Å; A141-M143 PolarHBondContact O-N 3.13Å; M143-F146 PolarHBondContact O-N 2.73Å; M143-T147 PolarHBondContact O-N 3.07Å; M143-T147 PolarHBondContact O-OG1 3.08Å; M143-Q317 HydrophobicContact CE-CB 4.28Å; M143-Q317 HydrophobicContact CE-CG 4.38Å; M143-Q317 HydrophobicContact SD-CG 4.41Å; M143-Q317 PolarHBondContact SD-NE2 2.9Å; M143-Q317 PolarHBondContact SD-OE1 2.89Å |
| 144 | E | 94.9 | Very high | 92.5 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 23% | 0.234 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | -178.7 | -74.8 | -164.1 | -147.4 | 0 | 0 | 111.1 | K140 A141 F146 T147 I148 V676 K681 | K140-E144 WeakPolarHBondContact CE-OE1 3.39Å; K140-E144 IonicContact NZ-OE1 3.64Å; K140-E144 PolarHBondContact O-N 2.92Å; A141-E144 PolarHBondContact O-N 2.78Å; E144-F146 PolarHBondContact O-N 3.23Å; E144-T147 WeakPolarHBondContact O-CB 3.26Å; E144-T147 PolarHBondContact O-N 3.42Å; E144-I148 PolarHBondContact O-N 2.95Å; E144-V676 WeakPolarHBondContact OE2-CG1 3.34Å; E144-K681 WeakPolarHBondContact OE2-CE 3.35Å; E144-K681 IonicContact OE2-NZ 3.34Å; E144-K681 PolarHBondContact OE2-NZ 3.37Å |
| 145 | Y | 97.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 176 | -67.9 | -44.5 | 0 | 0 | 0 | 112.7 | A141 T147 I148 C149 L675 K681 L684 L713 L716 L717 A720 | A141-Y145 HydrophobicContact CB-CD2 4.44Å; A141-Y145 HydrophobicContact CB-CE2 4.29Å; A141-Y145 VanDerWaalsContact O-CD2 3.24Å; A141-Y145 WeakPolarHBondContact O-CD2 2.91Å; A141-Y145 PolarHBondContact O-N 3.27Å; Y145-T147 VanDerWaalsContact C-N 3.29Å; Y145-T147 PolarHBondContact O-N 3.08Å; Y145-I148 HydrophobicContact CD1-CD1 4.34Å; Y145-I148 WeakPolarHBondContact O-CB 3.41Å; Y145-I148 PolarHBondContact O-N 3.32Å; Y145-C149 PolarHBondContact O-N 3.22Å; Y145-C149 PolarHBondContact O-SG 3.27Å; Y145-L675 VanDerWaalsContact CE2-O 3.32Å; Y145-L675 WeakPolarHBondContact CE2-O 3.37Å; Y145-L675 PolarHBondContact OH-O 2.97Å; Y145-K681 HydrophobicContact CE1-CG 4.25Å; Y145-L684 HydrophobicContact CD1-CD2 3.76Å; Y145-L684 HydrophobicContact CG-CD2 4.16Å; Y145-L713 HydrophobicContact CE2-CD1 4.41Å; Y145-L713 WeakPolarHBondContact OH-CD1 3.06Å; Y145-L716 HydrophobicContact CD2-CB 4.35Å; Y145-L716 HydrophobicContact CE2-CB 4.33Å; Y145-L717 HydrophobicContact CD1-CD2 4.07Å; Y145-L717 HydrophobicContact CD2-CD2 4.47Å; Y145-L717 HydrophobicContact CE1-CD2 3.57Å; Y145-L717 HydrophobicContact CE2-CD2 4.01Å; Y145-L717 HydrophobicContact CE2-CG 4.34Å; Y145-L717 HydrophobicContact CG-CD2 4.5Å; Y145-A720 HydrophobicContact CG-CB 4.45Å |
| 146 | F | 96.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.6 | -33.3 | 174.3 | -170.7 | -99.1 | 0 | 0 | 0 | 112.7 | R142 M143 E144 I148 C149 Q150 L308 V310 P311 F313 V314 R723 | R142-F146 WeakPolarHBondContact O-CB 3.25Å; R142-F146 PolarHBondContact O-N 3.21Å; R142-F146 VanDerWaalsContact O-N 3.1Å; M143-F146 PolarHBondContact O-N 2.73Å; E144-F146 PolarHBondContact O-N 3.23Å; F146-I148 VanDerWaalsContact C-N 3.28Å; F146-I148 PolarHBondContact O-N 3.49Å; F146-C149 HydrophobicContact CD2-CB 4.48Å; F146-C149 WeakPolarHBondContact O-CB 3.34Å; F146-C149 PolarHBondContact O-N 2.81Å; F146-C149 VanDerWaalsContact O-N 3.1Å; F146-Q150 HydrophobicContact CD1-CG 4.04Å; F146-Q150 HydrophobicContact CE1-CG 3.62Å; F146-Q150 HydrophobicContact CZ-CG 4.18Å; F146-Q150 PolarHBondContact O-N 3.22Å; F146-L308 HydrophobicContact CE2-CD1 4.1Å; F146-L308 HydrophobicContact CE2-CG 4.42Å; F146-L308 HydrophobicContact CZ-CD1 4.35Å; F146-L308 HydrophobicContact CZ-CD2 4.25Å; F146-L308 HydrophobicContact CZ-CG 4.17Å; F146-V310 HydrophobicContact CE1-CG1 4.2Å; F146-V310 HydrophobicContact CE1-CG2 4.36Å; F146-V310 HydrophobicContact CZ-CB 4.49Å; F146-V310 HydrophobicContact CZ-CG2 4.4Å; F146-P311 HydrophobicContact CD2-CG 4.14Å; F146-P311 VanDerWaalsContact CE2-CD 3.42Å; F146-P311 HydrophobicContact CE2-CG 4.02Å; F146-P311 HydrophobicContact CG-CG 4.49Å; F146-P311 HydrophobicContact CZ-CG 4.25Å; F146-F313 HydrophobicContact CB-CE2 4.44Å; F146-V314 HydrophobicContact CB-CG2 4.42Å; F146-V314 HydrophobicContact CD1-CG2 3.62Å; F146-V314 HydrophobicContact CE1-CG2 4.15Å; F146-V314 HydrophobicContact CG-CG2 4.08Å; F146-R723 HydrophobicContact CE2-CB 4.46Å |
| 147 | T | 96.5 | Very high | 93 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 39% | 0.393 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | M143 E144 Y145 C149 Q150 E151 | M143-T147 PolarHBondContact O-N 3.07Å; M143-T147 PolarHBondContact O-OG1 3.08Å; E144-T147 WeakPolarHBondContact O-CB 3.26Å; E144-T147 PolarHBondContact O-N 3.42Å; Y145-T147 VanDerWaalsContact C-N 3.29Å; Y145-T147 PolarHBondContact O-N 3.08Å; T147-C149 VanDerWaalsContact C-N 3.33Å; T147-C149 PolarHBondContact O-N 2.96Å; T147-Q150 WeakPolarHBondContact O-CB 3.37Å; T147-Q150 PolarHBondContact O-N 3.49Å; T147-Q150 VanDerWaalsContact O-N 3.16Å; T147-E151 WeakPolarHBondContact O-CG 3.45Å; T147-E151 PolarHBondContact O-N 3.3Å |
| 148 | I | 97 | Very high | 93 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 174.3 | -64 | 170.9 | 0 | 0 | 0 | 111.1 | E144 Y145 F146 Q150 E151 V152 K681 L684 R685 | E144-I148 PolarHBondContact O-N 2.95Å; Y145-I148 HydrophobicContact CD1-CD1 4.34Å; Y145-I148 WeakPolarHBondContact O-CB 3.41Å; Y145-I148 PolarHBondContact O-N 3.32Å; F146-I148 VanDerWaalsContact C-N 3.28Å; F146-I148 PolarHBondContact O-N 3.49Å; I148-Q150 VanDerWaalsContact C-N 3.27Å; I148-Q150 PolarHBondContact O-N 3.38Å; I148-E151 PolarHBondContact O-N 3.18Å; I148-V152 HydrophobicContact CG2-CG2 4.24Å; I148-V152 WeakPolarHBondContact O-CG2 3.48Å; I148-V152 PolarHBondContact O-N 3.48Å; I148-K681 HydrophobicContact CD1-CB 3.52Å; I148-K681 HydrophobicContact CD1-CD 4.21Å; I148-K681 HydrophobicContact CD1-CG 3.6Å; I148-L684 HydrophobicContact CB-CD2 4.31Å; I148-L684 HydrophobicContact CD1-CD2 4.44Å; I148-L684 HydrophobicContact CG2-CD2 4.25Å; I148-L684 HydrophobicContact CG2-CG 4.32Å; I148-R685 HydrophobicContact CG2-CB 4Å; I148-R685 HydrophobicContact CG2-CG 4.37Å |
| 149 | C | 96.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.6 | -41.3 | 175.5 | -56 | 0 | 0 | 0 | 0 | 111.5 | Y145 F146 T147 A153 L308 A720 | Y145-C149 PolarHBondContact O-N 3.22Å; Y145-C149 PolarHBondContact O-SG 3.27Å; F146-C149 HydrophobicContact CD2-CB 4.48Å; F146-C149 WeakPolarHBondContact O-CB 3.34Å; F146-C149 PolarHBondContact O-N 2.81Å; F146-C149 VanDerWaalsContact O-N 3.1Å; T147-C149 VanDerWaalsContact C-N 3.33Å; T147-C149 PolarHBondContact O-N 2.96Å; C149-A153 WeakPolarHBondContact O-CB 3.42Å; C149-A153 PolarHBondContact O-N 3.21Å; C149-L308 HydrophobicContact CB-CD1 4.45Å; C149-L308 HydrophobicContact CB-CD2 4.29Å; C149-A720 PolarHBondContact SG-O 3.12Å |
| 150 | Q | 94.8 | Very high | 92.6 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 29% | 0.285 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67 | -39.3 | 176.5 | -64.8 | -177.2 | -59.7 | 0 | 0 | 112.7 | F146 T147 I148 K154 L308 | F146-Q150 HydrophobicContact CD1-CG 4.04Å; F146-Q150 HydrophobicContact CE1-CG 3.62Å; F146-Q150 HydrophobicContact CZ-CG 4.18Å; F146-Q150 PolarHBondContact O-N 3.22Å; T147-Q150 WeakPolarHBondContact O-CB 3.37Å; T147-Q150 PolarHBondContact O-N 3.49Å; T147-Q150 VanDerWaalsContact O-N 3.16Å; I148-Q150 VanDerWaalsContact C-N 3.27Å; I148-Q150 PolarHBondContact O-N 3.38Å; Q150-K154 WeakPolarHBondContact O-CG 3.29Å; Q150-K154 PolarHBondContact O-N 3.34Å; Q150-L308 HydrophobicContact CB-CD2 4.27Å; Q150-L308 HydrophobicContact CG-CD2 3.78Å |
| 151 | E | 94.8 | Very high | 92.5 | Very high | 92 Ų | 92 | 55.8 Ų | 55.8 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 176 | -71.6 | 178.2 | -170.7 | 0 | 0 | 112.3 | T147 I148 K154 E155 R685 | T147-E151 WeakPolarHBondContact O-CG 3.45Å; T147-E151 PolarHBondContact O-N 3.3Å; I148-E151 PolarHBondContact O-N 3.18Å; E151-K154 PolarHBondContact O-N 3.03Å; E151-E155 PolarHBondContact O-N 3.06Å; E151-R685 IonicContact OE2-CZ 3.37Å; E151-R685 IonicContact OE2-NH1 3.9Å; E151-R685 PolarHBondContact OE2-NH1 3.47Å |
| 152 | V | 93.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 179.2 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | I148 K154 E155 R156 R685 L688 L689 | I148-V152 HydrophobicContact CG2-CG2 4.24Å; I148-V152 WeakPolarHBondContact O-CG2 3.48Å; I148-V152 PolarHBondContact O-N 3.48Å; V152-K154 VanDerWaalsContact C-N 3.3Å; V152-K154 PolarHBondContact O-N 2.75Å; V152-E155 PolarHBondContact O-N 3.02Å; V152-E155 VanDerWaalsContact O-N 3.09Å; V152-R156 HydrophobicContact CG1-CG 4.23Å; V152-R156 WeakPolarHBondContact O-CG 3.16Å; V152-R156 PolarHBondContact O-N 2.98Å; V152-R685 HydrophobicContact CG2-CB 4.48Å; V152-R685 HydrophobicContact CG2-CG 3.67Å; V152-L688 HydrophobicContact CB-CB 4.23Å; V152-L688 HydrophobicContact CB-CD1 4.37Å; V152-L688 HydrophobicContact CG1-CB 3.65Å; V152-L688 HydrophobicContact CG2-CB 4.22Å; V152-L688 HydrophobicContact CG2-CD1 4.32Å; V152-L689 HydrophobicContact CG1-CD2 3.74Å; V152-L689 HydrophobicContact CG1-CG 4.03Å; V152-L689 HydrophobicContact CG2-CG 4.47Å |
| 153 | A | 91.4 | Very high | 92 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 20% | 0.198 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.5 | -46.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C149 E155 R156 E157 L308 | C149-A153 WeakPolarHBondContact O-CB 3.42Å; C149-A153 PolarHBondContact O-N 3.21Å; A153-E155 PolarHBondContact O-N 2.61Å; A153-R156 PolarHBondContact O-N 3.22Å; A153-E157 WeakPolarHBondContact O-CG 3.4Å; A153-E157 PolarHBondContact O-N 3.13Å; A153-E157 VanDerWaalsContact O-N 3.14Å; A153-L308 HydrophobicContact CB-CB 4.46Å; A153-L308 HydrophobicContact CB-CD2 4.03Å |
| 154 | K | 91.6 | Very high | 91.8 | Very high | 122 Ų | 122 | 58.7 Ų | 58.7 | 53% | 0.53 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.5 | -35.9 | 174.9 | -68.5 | 172.7 | -175.5 | 176.5 | 0 | 113.1 | Q150 E151 V152 R158 | Q150-K154 WeakPolarHBondContact O-CG 3.29Å; Q150-K154 PolarHBondContact O-N 3.34Å; E151-K154 PolarHBondContact O-N 3.03Å; V152-K154 VanDerWaalsContact C-N 3.3Å; V152-K154 PolarHBondContact O-N 2.75Å; K154-R158 VanDerWaalsContact O-CG 3.26Å; K154-R158 WeakPolarHBondContact O-CG 3.48Å; K154-R158 PolarHBondContact O-N 2.73Å; K154-R158 VanDerWaalsContact O-N 3.16Å |
| 155 | E | 91.2 | Very high | 91.6 | Very high | 45 Ų | 45 | 57.9 Ų | 57.9 | 21% | 0.21 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 176 | -174 | 178.1 | 151.8 | 0 | 0 | 111.3 | E151 V152 A153 E157 R158 D159 R166 R685 L689 | E151-E155 PolarHBondContact O-N 3.06Å; V152-E155 PolarHBondContact O-N 3.02Å; V152-E155 VanDerWaalsContact O-N 3.09Å; A153-E155 PolarHBondContact O-N 2.61Å; E155-E157 VanDerWaalsContact C-N 3.31Å; E155-E157 PolarHBondContact O-N 3.31Å; E155-R158 PolarHBondContact O-N 3.34Å; E155-D159 PolarHBondContact O-N 3.34Å; E155-R166 IonicContact OE1-NH1 3.38Å; E155-R166 PolarHBondContact OE1-NH1 3.34Å; E155-R685 IonicContact OE2-CZ 3.86Å; E155-R685 IonicContact OE2-NE 3.48Å; E155-R685 IonicContact OE2-NH2 2.71Å; E155-R685 PolarHBondContact OE2-NH2 3.5Å; E155-L689 HydrophobicContact CG-CD2 4.28Å |
| 156 | R | 88.3 | Confident | 91.1 | Very high | 44 Ų | 44 | 60 Ų | 60 | 17% | 0.166 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 177.3 | -67.6 | 178.8 | 179.2 | 169.5 | -7.9 | 112.1 | V152 A153 D159 L160 T163 L688 G724 | V152-R156 HydrophobicContact CG1-CG 4.23Å; V152-R156 WeakPolarHBondContact O-CG 3.16Å; V152-R156 PolarHBondContact O-N 2.98Å; A153-R156 PolarHBondContact O-N 3.22Å; R156-D159 CarbonylContact O-C 3.59Å; R156-L160 PolarHBondContact O-N 3.32Å; R156-T163 WeakPolarHBondContact CA-OG1 3.45Å; R156-T163 HydrophobicContact CB-CG2 4.18Å; R156-T163 HydrophobicContact CG-CG2 3.76Å; R156-L688 PolarHBondContact NE-O 2.87Å; R156-L688 PolarHBondContact NH2-O 3.23Å; R156-G724 PolarHBondContact NH1-O 3.24Å |
| 157 | E | 85.6 | Confident | 90.6 | Very high | 154 Ų | 154 | 60.8 Ų | 60.8 | 72% | 0.72 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -67.7 | -34.2 | 176 | -73 | 171.2 | -172.8 | 0 | 0 | 113 | A153 E155 | A153-E157 WeakPolarHBondContact O-CG 3.4Å; A153-E157 PolarHBondContact O-N 3.13Å; A153-E157 VanDerWaalsContact O-N 3.14Å; E155-E157 VanDerWaalsContact C-N 3.31Å; E155-E157 PolarHBondContact O-N 3.31Å |
| 158 | R | 89.4 | Confident | 90.3 | Very high | 217 Ų | 217 | 59.8 Ų | 59.8 | 82% | 0.819 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -72 | -38.1 | -179.8 | -75.1 | 171 | -175.4 | -175 | 1.2 | 113.3 | K154 E155 | K154-R158 VanDerWaalsContact O-CG 3.26Å; K154-R158 WeakPolarHBondContact O-CG 3.48Å; K154-R158 PolarHBondContact O-N 2.73Å; K154-R158 VanDerWaalsContact O-N 3.16Å; E155-R158 PolarHBondContact O-N 3.34Å |
| 159 | D | 88.1 | Confident | 90.1 | Very high | 70 Ų | 70 | 60 Ų | 60 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | trans | -138.1 | 77.7 | -177.1 | -171 | -7.7 | 0 | 0 | 0 | 111 | E155 R156 N161 R162 T163 | E155-D159 PolarHBondContact O-N 3.34Å; R156-D159 CarbonylContact O-C 3.59Å; D159-N161 VanDerWaalsContact C-N 3.32Å; D159-N161 PolarHBondContact O-N 2.68Å; D159-R162 HydrophobicContact CB-CB 4.19Å; D159-R162 PolarHBondContact O-N 2.66Å; D159-R162 VanDerWaalsContact OD1-CB 3.29Å; D159-R162 WeakPolarHBondContact OD1-CB 3.32Å; D159-R162 PolarHBondContact OD1-N 3.37Å; D159-R162 WeakPolarHBondContact OD2-CB 3.44Å; D159-R162 WeakPolarHBondContact OD2-CD 3.22Å; D159-T163 PolarHBondContact O-N 2.85Å; D159-T163 VanDerWaalsContact O-N 3.14Å; D159-T163 PolarHBondContact O-OG1 3.37Å | ||
| 160 | L | 86.5 | Confident | 89.8 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -35.4 | -178.5 | -175.4 | 64.7 | 0 | 0 | 0 | 112.2 | R156 T163 L164 V300 L303 T304 | R156-L160 PolarHBondContact O-N 3.32Å; L160-T163 WeakPolarHBondContact O-CB 3.27Å; L160-T163 PolarHBondContact O-N 3.09Å; L160-L164 HydrophobicContact CG-CD1 4.35Å; L160-L164 WeakPolarHBondContact O-CG 3.33Å; L160-L164 PolarHBondContact O-N 3.03Å; L160-V300 HydrophobicContact CD2-CB 4.22Å; L160-V300 HydrophobicContact CD2-CG1 3.59Å; L160-V300 HydrophobicContact CD2-CG2 3.83Å; L160-L303 HydrophobicContact CD1-CB 4.29Å; L160-L303 HydrophobicContact CD1-CD1 4Å; L160-T304 HydrophobicContact CD1-CG2 4.13Å |
| 161 | N | 88.4 | Confident | 89.4 | Confident | 90 Ų | 90 | 60.6 Ų | 60.6 | 48% | 0.481 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 179.6 | -76.6 | -24.2 | 0 | 0 | 0 | 111.7 | D159 T163 L164 C165 R296 | D159-N161 VanDerWaalsContact C-N 3.32Å; D159-N161 PolarHBondContact O-N 2.68Å; N161-T163 VanDerWaalsContact C-N 3.3Å; N161-T163 PolarHBondContact O-N 2.95Å; N161-L164 PolarHBondContact O-N 2.6Å; N161-C165 WeakPolarHBondContact O-CB 3.45Å; N161-C165 PolarHBondContact O-N 2.78Å; N161-C165 PolarHBondContact O-SG 2.98Å; N161-C165 VanDerWaalsContact O-SG 3.4Å; N161-R296 PolarHBondContact OD1-NH2 2.96Å |
| 162 | R | 89.8 | Confident | 88.9 | Confident | 129 Ų | 129 | 57 Ų | 57 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 173.7 | -175.2 | 178.9 | -173.2 | -174.5 | 3.7 | 112 | D159 C165 R166 | D159-R162 HydrophobicContact CB-CB 4.19Å; D159-R162 PolarHBondContact O-N 2.66Å; D159-R162 VanDerWaalsContact OD1-CB 3.29Å; D159-R162 WeakPolarHBondContact OD1-CB 3.32Å; D159-R162 PolarHBondContact OD1-N 3.37Å; D159-R162 WeakPolarHBondContact OD2-CB 3.44Å; D159-R162 WeakPolarHBondContact OD2-CD 3.22Å; R162-C165 PolarHBondContact O-N 2.91Å; R162-R166 WeakPolarHBondContact O-CG 3.3Å; R162-R166 PolarHBondContact O-N 2.99Å |
| 163 | T | 86.9 | Confident | 88.1 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -48.1 | 175.4 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | R156 D159 L160 N161 C165 R166 T167 L303 | R156-T163 WeakPolarHBondContact CA-OG1 3.45Å; R156-T163 HydrophobicContact CB-CG2 4.18Å; R156-T163 HydrophobicContact CG-CG2 3.76Å; D159-T163 PolarHBondContact O-N 2.85Å; D159-T163 VanDerWaalsContact O-N 3.14Å; D159-T163 PolarHBondContact O-OG1 3.37Å; L160-T163 WeakPolarHBondContact O-CB 3.27Å; L160-T163 PolarHBondContact O-N 3.09Å; N161-T163 VanDerWaalsContact C-N 3.3Å; N161-T163 PolarHBondContact O-N 2.95Å; T163-C165 VanDerWaalsContact C-N 3.31Å; T163-C165 PolarHBondContact O-N 2.84Å; T163-R166 PolarHBondContact O-N 3.43Å; T163-R166 VanDerWaalsContact O-N 3.17Å; T163-T167 PolarHBondContact O-N 3.46Å; T163-T167 PolarHBondContact O-OG1 3.38Å; T163-T167 VanDerWaalsContact O-OG1 3.09Å; T163-L303 HydrophobicContact CG2-CD1 3.86Å |
| 164 | L | 88.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.5 | -47.1 | 173.8 | -74.1 | 168.2 | 0 | 0 | 0 | 111.2 | L160 N161 R166 T167 Y168 L268 L299 V300 L303 | L160-L164 HydrophobicContact CG-CD1 4.35Å; L160-L164 WeakPolarHBondContact O-CG 3.33Å; L160-L164 PolarHBondContact O-N 3.03Å; N161-L164 PolarHBondContact O-N 2.6Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 2.55Å; L164-T167 PolarHBondContact O-N 2.98Å; L164-Y168 HydrophobicContact CD2-CD2 4.02Å; L164-Y168 HydrophobicContact CD2-CE2 4.41Å; L164-Y168 WeakPolarHBondContact O-CB 3.4Å; L164-Y168 PolarHBondContact O-N 3.5Å; L164-L268 HydrophobicContact CB-CD1 4.15Å; L164-L299 HydrophobicContact CD2-CB 3.78Å; L164-L299 WeakPolarHBondContact CD2-O 3.42Å; L164-V300 HydrophobicContact CD1-CG2 4.12Å; L164-L303 HydrophobicContact CD2-CD1 3.51Å; L164-L303 HydrophobicContact CD2-CG 4.41Å; L164-L303 HydrophobicContact CG-CD1 3.84Å |
| 165 | C | 90 | Very high | 84.7 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 22% | 0.216 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -33.7 | 179.2 | -76.5 | 0 | 0 | 0 | 0 | 113.6 | N161 R162 T163 C169 | N161-C165 WeakPolarHBondContact O-CB 3.45Å; N161-C165 PolarHBondContact O-N 2.78Å; N161-C165 PolarHBondContact O-SG 2.98Å; N161-C165 VanDerWaalsContact O-SG 3.4Å; R162-C165 PolarHBondContact O-N 2.91Å; T163-C165 VanDerWaalsContact C-N 3.31Å; T163-C165 PolarHBondContact O-N 2.84Å; C165-C169 HydrophobicContact CB-CB 4.41Å; C165-C169 WeakPolarHBondContact O-CB 3.14Å; C165-C169 PolarHBondContact O-N 3.22Å |
| 166 | R | 87 | Confident | 82.3 | Confident | 46 Ų | 46 | 71.1 Ų | 71.1 | 17% | 0.174 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75.8 | -31.6 | 177.4 | -78.2 | 176 | 165.6 | 164.5 | -6.8 | 113.1 | E155 R162 T163 L164 L689 N690 | E155-R166 IonicContact OE1-NH1 3.38Å; E155-R166 PolarHBondContact OE1-NH1 3.34Å; R162-R166 WeakPolarHBondContact O-CG 3.3Å; R162-R166 PolarHBondContact O-N 2.99Å; T163-R166 PolarHBondContact O-N 3.43Å; T163-R166 VanDerWaalsContact O-N 3.17Å; L164-R166 VanDerWaalsContact C-N 3.32Å; L164-R166 PolarHBondContact O-N 2.55Å; R166-L689 VanDerWaalsContact CB-O 3.3Å; R166-L689 WeakPolarHBondContact CB-O 3.17Å; R166-L689 WeakPolarHBondContact CD-O 3.44Å; R166-N690 PolarHBondContact O-ND2 3.24Å |
| 167 | T | 85.4 | Confident | 79.9 | Confident | 20 Ų | 20 | 78.8 Ų | 78.8 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -90.6 | -38.4 | -175.4 | -55 | 0 | 0 | 0 | 0 | 112.4 | T163 L164 L303 | T163-T167 PolarHBondContact O-N 3.46Å; T163-T167 PolarHBondContact O-OG1 3.38Å; T163-T167 VanDerWaalsContact O-OG1 3.09Å; L164-T167 PolarHBondContact O-N 2.98Å; T167-L303 HydrophobicContact CG2-CD2 4.47Å |
| 168 | Y | 90.8 | Very high | 77.4 | Confident | 44 Ų | 44 | 81 Ų | 81 | 17% | 0.173 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -127.6 | -3.9 | -163.9 | -63.8 | -57.9 | 0 | 0 | 0 | 114.2 | L164 L265 Y266 S302 L303 | L164-Y168 HydrophobicContact CD2-CD2 4.02Å; L164-Y168 HydrophobicContact CD2-CE2 4.41Å; L164-Y168 WeakPolarHBondContact O-CB 3.4Å; L164-Y168 PolarHBondContact O-N 3.5Å; Y168-L265 CarbonylContact O-C 3.54Å; Y168-L265 WeakPolarHBondContact O-CA 3.35Å; Y168-Y266 HydrophobicContact CD1-CE2 4.38Å; Y168-Y266 HydrophobicContact CG-CD2 4.42Å; Y168-Y266 PolarHBondContact O-N 3.35Å; Y168-S302 PolarHBondContact OH-OG 2.81Å; Y168-S302 VanDerWaalsContact OH-OG 3.13Å; Y168-L303 HydrophobicContact CE2-CD1 4.28Å; Y168-L303 HydrophobicContact CE2-CD2 3.86Å; Y168-L303 HydrophobicContact CE2-CG 3.98Å |
| 169 | C | 92 | Very high | 75 | Confident | 17 Ų | 17 | 73.7 Ų | 73.7 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -74.9 | 134.6 | 180 | -169.6 | 0 | 0 | 0 | 0 | 111.4 | C165 Y266 L268 | C165-C169 HydrophobicContact CB-CB 4.41Å; C165-C169 WeakPolarHBondContact O-CB 3.14Å; C165-C169 PolarHBondContact O-N 3.22Å; C169-Y266 CarbonylContact C-O 3.56Å; C169-Y266 VanDerWaalsContact CA-O 3.29Å; C169-Y266 WeakPolarHBondContact CA-O 3.39Å; C169-L268 HydrophobicContact CB-CB 4.28Å; C169-L268 HydrophobicContact CB-CD1 4.36Å |
| 170 | D | 90.6 | Very high | 72.8 | Confident | 5 Ų | 5 | 72.9 Ų | 72.9 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 153.8 | 168.8 | -151.1 | -38.1 | 0 | 0 | 0 | 110.8 | R260 L265 Y266 F267 Y276 | D170-R260 WeakPolarHBondContact OD2-CD 3.47Å; D170-R260 IonicContact OD2-NH1 3.22Å; D170-L265 HydrophobicContact CB-CB 4.11Å; D170-Y266 PolarHBondContact N-O 3.21Å; D170-F267 HydrophobicContact CB-CE1 4.47Å; D170-Y276 HydrophobicContact CB-CD1 4.01Å; D170-Y276 HydrophobicContact CB-CE1 4.14Å |
| 171 | S | 87.2 | Confident | 70.5 | Confident | 70 Ų | 70 | 80 Ų | 80 | 49% | 0.49 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 138.5 | -175.5 | -65.7 | 0 | 0 | 0 | 0 | 111.2 | V277 | S171-V277 PolarHBondContact O-N 2.83Š|
| 172 | V | 85.2 | Confident | 68.2 | Low | 18 Ų | 18 | 86.1 Ų | 86.1 | 11% | 0.109 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -119.4 | 136 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | V174 V271 D275 Y276 | V172-V174 PolarHBondContact O-N 2.94Å; V172-V174 VanDerWaalsContact O-N 3.13Å; V172-V271 HydrophobicContact CG1-CG2 3.97Å; V172-V271 HydrophobicContact CG2-CG2 4.02Å; V172-D275 CarbonylContact C-O 3.55Å; V172-D275 WeakPolarHBondContact CA-O 3.36Å; V172-D275 HydrophobicContact CG1-CB 3.62Å; V172-D275 WeakPolarHBondContact CG1-O 3.45Å; V172-Y276 HydrophobicContact CG2-CD1 3.63Å; V172-Y276 HydrophobicContact CG2-CD2 4.48Å; V172-Y276 HydrophobicContact CG2-CE1 3.46Å; V172-Y276 VanDerWaalsContact CG2-CE1 3.46Å; V172-Y276 HydrophobicContact CG2-CE2 4.36Å; V172-Y276 HydrophobicContact CG2-CG 4.16Å |
| 173 | Y | 75.3 | Confident | 66.2 | Low | 107 Ų | 107 | 85.2 Ų | 85.2 | 42% | 0.42 | 42% | 0.422 | S | S | . | . | trans | -58 | 118.8 | 170 | -73.4 | -77.4 | 0 | 0 | 0 | 109 | Q175 D275 V277 R280 | Y173-Q175 PolarHBondContact O-N 2.97Å; Y173-D275 WeakPolarHBondContact CD2-O 3.48Å; Y173-D275 PolarHBondContact N-O 3.34Å; Y173-V277 HydrophobicContact CD1-CG2 4.36Å; Y173-V277 HydrophobicContact CD2-CG2 3.87Å; Y173-V277 HydrophobicContact CE1-CG2 4.27Å; Y173-V277 HydrophobicContact CE2-CB 4.09Å; Y173-V277 HydrophobicContact CE2-CG1 4.33Å; Y173-V277 HydrophobicContact CE2-CG2 3.75Å; Y173-V277 HydrophobicContact CG-CG2 4.18Å; Y173-R280 HydrophobicContact CD2-CG 4.33Å; Y173-R280 HydrophobicContact CE2-CB 4.07Å; Y173-R280 VanDerWaalsContact CE2-CD 3.45Å; Y173-R280 HydrophobicContact CE2-CG 3.88Å | ||
| 174 | V | 62.6 | Low | 64.1 | Low | 116 Ų | 116 | 88.2 Ų | 88.2 | 70% | 0.703 | 45% | 0.447 | S | S | * | . | trans | -59.2 | 131.8 | 166.4 | -177 | 0 | 0 | 0 | 0 | 106.1 | V172 A176 | V172-V174 PolarHBondContact O-N 2.94Å; V172-V174 VanDerWaalsContact O-N 3.13Å; V174-A176 PolarHBondContact O-N 2.88Å | ||
| 175 | Q | 50 | Low | 62.1 | Low | 182 Ų | 182 | 92.2 Ų | 92.2 | 85% | 0.85 | 48% | 0.48 | S | S | * | . | trans | -58.2 | 78.8 | 179.4 | -71.9 | -178 | -12.9 | 0 | 0 | 111 | Y173 | Y173-Q175 PolarHBondContact O-N 2.97Š| ||
| 176 | A | 39.3 | Very low | 60.7 | Low | 82 Ų | 82 | 95.9 Ų | 95.9 | 68% | 0.678 | 50% | 0.502 | S | S | * | . | trans | -81.7 | 124.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | V174 K178 | V174-A176 PolarHBondContact O-N 2.88Å; A176-K178 PolarHBondContact O-N 2.82Å | ||
| 177 | K | 38.7 | Very low | 59.8 | Low | 206 Ų | 206 | 95.2 Ų | 95.2 | 90% | 0.896 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -27.8 | 110.6 | 177.4 | -71 | 172.1 | 175.5 | 174.2 | 0 | 111.4 | S179 | K177-S179 PolarHBondContact O-N 3.07Š|
| 178 | K | 33.6 | Very low | 59.4 | Low | 200 Ų | 200 | 97.1 Ų | 97.1 | 87% | 0.87 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 22.7 | 82.7 | 169.1 | -70.7 | -179.4 | 177.6 | 175.9 | 0 | 112.4 | A176 S180 | A176-K178 PolarHBondContact O-N 2.82Å; K178-S180 PolarHBondContact O-N 3.43Å |
| 179 | S | 39.7 | Very low | 59 | Low | 63 Ų | 63 | 100.4 Ų | 100.4 | 44% | 0.441 | 54% | 0.539 | S | S | . | . | trans | -42.9 | 137.1 | 162.5 | 49.8 | 0 | 0 | 0 | 0 | 109 | K177 K181 | K177-S179 PolarHBondContact O-N 3.07Å; S179-K181 PolarHBondContact O-N 3.1Å | ||
| 180 | S | 40.1 | Very low | 58.9 | Low | 53 Ų | 53 | 103.4 Ų | 103.4 | 37% | 0.371 | 55% | 0.551 | S | S | . | * | trans | -43.5 | 141.8 | -169.9 | 72.9 | 0 | 0 | 0 | 0 | 111.4 | K178 R182 E183 | K178-S180 PolarHBondContact O-N 3.43Å; S180-R182 PolarHBondContact O-N 3.23Å; S180-E183 PolarHBondContact O-N 3.06Å | ||
| 181 | K | 38 | Very low | 58.9 | Low | 195 Ų | 195 | 103.4 Ų | 103.4 | 85% | 0.848 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.9 | -14.2 | 175.9 | -79.4 | -177.9 | 174.4 | 179.9 | 0 | 113.9 | S179 | S179-K181 PolarHBondContact O-N 3.1Š|
| 182 | R | 41.1 | Very low | 59.1 | Low | 219 Ų | 219 | 103.4 Ų | 103.4 | 83% | 0.826 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -36.6 | 177.4 | -80.8 | -177.8 | 165.9 | 178.7 | -5 | 113.8 | S180 | S180-R182 PolarHBondContact O-N 3.23Š|
| 183 | E | 46.7 | Very low | 59.5 | Low | 110 Ų | 110 | 102.6 Ų | 102.6 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -30.4 | 176.6 | -76 | -173.7 | 158.6 | 0 | 0 | 112.6 | S180 A185 T186 | S180-E183 PolarHBondContact O-N 3.06Å; E183-A185 PolarHBondContact O-N 3.11Å; E183-T186 PolarHBondContact O-N 3.08Å |
| 184 | A | 43.5 | Very low | 60.4 | Low | 67 Ų | 67 | 97.8 Ų | 97.8 | 55% | 0.554 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | T186 | A184-T186 VanDerWaalsContact C-N 3.35Š|
| 185 | A | 46.7 | Very low | 61.9 | Low | 84 Ų | 84 | 92.2 Ų | 92.2 | 69% | 0.694 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -16.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E183 | E183-A185 PolarHBondContact O-N 3.11Š|
| 186 | T | 61.8 | Low | 64 | Low | 109 Ų | 109 | 83.9 Ų | 83.9 | 67% | 0.669 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -13.8 | -172.8 | -6.7 | 0 | 0 | 0 | 0 | 114.2 | E183 A184 | E183-T186 PolarHBondContact O-N 3.08Å; A184-T186 VanDerWaalsContact C-N 3.35Å |
| 187 | I | 67.1 | Low | 66.3 | Low | 33 Ų | 33 | 80.9 Ų | 80.9 | 17% | 0.169 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -88.2 | 126.6 | -176.3 | -53.5 | 177.2 | 0 | 0 | 0 | 109.7 | L219 R280 A283 | I187-L219 HydrophobicContact CG2-CD1 4.2Å; I187-L219 HydrophobicContact CG2-CD2 3.92Å; I187-R280 HydrophobicContact CD1-CB 4.41Å; I187-R280 HydrophobicContact CD1-CG 4.18Å; I187-A283 HydrophobicContact CG2-CB 4.35Å |
| 188 | P | 76.7 | Confident | 68.5 | Low | 60 Ų | 60 | 72 Ų | 72 | 39% | 0.39 | 39% | 0.385 | S | S | . | . | trans | -57 | 141.5 | 174.9 | -24 | 33.2 | 0 | 0 | 0 | 112.5 | H190 | P188-H190 VanDerWaalsContact CB-O 3.32Å; P188-H190 WeakPolarHBondContact CB-O 3.39Å; P188-H190 PolarHBondContact O-N 2.96Å | ||
| 189 | T | 83.4 | Confident | 70.6 | Confident | 112 Ų | 112 | 68 Ų | 68 | 69% | 0.687 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -66.3 | -22.1 | 174.3 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | L219 | T189-L219 PolarHBondContact O-N 2.98Å; T189-L219 VanDerWaalsContact O-N 3.09Å |
| 190 | H | 88.6 | Confident | 72.5 | Confident | 81 Ų | 81 | 69.1 Ų | 69.1 | 38% | 0.375 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.6 | 178.1 | -65.5 | 72.7 | 0 | 0 | 0 | 109.5 | P188 K216 V217 | P188-H190 VanDerWaalsContact CB-O 3.32Å; P188-H190 WeakPolarHBondContact CB-O 3.39Å; P188-H190 PolarHBondContact O-N 2.96Å; H190-K216 HydrophobicContact CB-CD 4.2Å; H190-K216 HydrophobicContact CB-CG 3.83Å; H190-K216 VanDerWaalsContact CG-CE 3.43Å; H190-V217 CarbonylContact C-O 3.58Å; H190-V217 VanDerWaalsContact CA-O 3.29Å; H190-V217 WeakPolarHBondContact CA-O 3.48Å |
| 191 | L | 90.6 | Very high | 74.2 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 142.5 | 174.7 | -57 | 176.2 | 0 | 0 | 0 | 109.5 | L193 K216 V217 L219 L273 I279 A283 I289 | L191-L193 HydrophobicContact CB-CD2 3.85Å; L191-L193 HydrophobicContact CB-CG 4.24Å; L191-L193 HydrophobicContact CD1-CD2 4.29Å; L191-K216 CarbonylContact O-C 3.59Å; L191-K216 WeakPolarHBondContact O-CA 3.46Å; L191-V217 HydrophobicContact CB-CG2 4.19Å; L191-V217 PolarHBondContact N-O 3.48Å; L191-V217 PolarHBondContact O-N 2.9Å; L191-L219 HydrophobicContact CD1-CD1 3.84Å; L191-L219 HydrophobicContact CD2-CD1 3.9Å; L191-L219 HydrophobicContact CG-CD1 3.95Å; L191-L273 HydrophobicContact CD1-CB 4.21Å; L191-L273 HydrophobicContact CD1-CD1 4.46Å; L191-I279 HydrophobicContact CD1-CG2 3.39Å; L191-I279 HydrophobicContact CD2-CG2 4.43Å; L191-A283 HydrophobicContact CD2-CB 3.7Å; L191-I289 HydrophobicContact CD1-CD1 4.43Å; L191-I289 HydrophobicContact CD2-CD1 3.96Å |
| 192 | L | 92.9 | Very high | 75.8 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 37% | 0.366 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 104.4 | 167.5 | -171 | 59.6 | 0 | 0 | 0 | 107.5 | T214 S287 V288 I289 | L192-T214 HydrophobicContact CD1-CG2 3.59Å; L192-T214 HydrophobicContact CG-CG2 3.89Å; L192-S287 WeakPolarHBondContact CB-O 3.44Å; L192-V288 HydrophobicContact CD2-CG2 3.7Å; L192-V288 HydrophobicContact CG-CG2 4.12Å; L192-V288 CarbonylContact O-C 3.6Å; L192-V288 WeakPolarHBondContact O-CA 3.35Å; L192-I289 PolarHBondContact O-N 2.97Å |
| 193 | L | 94 | Very high | 76.8 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 135.8 | -177.7 | -56.1 | -175.5 | 0 | 0 | 0 | 110.1 | L191 T214 M215 V217 V226 L273 I289 M291 | L191-L193 HydrophobicContact CB-CD2 3.85Å; L191-L193 HydrophobicContact CB-CG 4.24Å; L191-L193 HydrophobicContact CD1-CD2 4.29Å; L193-T214 CarbonylContact O-C 3.59Å; L193-T214 VanDerWaalsContact O-CA 3.24Å; L193-T214 WeakPolarHBondContact O-CA 3.4Å; L193-M215 HydrophobicContact CB-CG 4.26Å; L193-M215 PolarHBondContact N-O 3.44Å; L193-M215 PolarHBondContact O-N 3.04Å; L193-V217 HydrophobicContact CD1-CG1 4.47Å; L193-V217 HydrophobicContact CD1-CG2 3.39Å; L193-V217 HydrophobicContact CG-CG2 3.74Å; L193-V226 HydrophobicContact CD1-CG1 4.02Å; L193-V226 HydrophobicContact CD1-CG2 3.86Å; L193-L273 HydrophobicContact CD1-CD1 3.98Å; L193-I289 CarbonylContact C-O 3.43Å; L193-I289 WeakPolarHBondContact CA-O 3.47Å; L193-I289 HydrophobicContact CD2-CB 3.81Å; L193-I289 HydrophobicContact CD2-CD1 4.24Å; L193-I289 HydrophobicContact CD2-CG1 4.46Å; L193-I289 HydrophobicContact CD2-CG2 4.28Å; L193-M291 HydrophobicContact CD1-CE 3.98Å; L193-M291 HydrophobicContact CD1-SD 3.98Å; L193-M291 HydrophobicContact CD2-CE 3.82Å; L193-M291 HydrophobicContact CD2-SD 4.41Å; L193-M291 HydrophobicContact CG-CE 4.49Å |
| 194 | C | 93.8 | Very high | 77.2 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 104.9 | 168.2 | -178 | 0 | 0 | 0 | 0 | 109.1 | V288 I289 N290 M291 | C194-V288 HydrophobicContact CB-CG1 3.6Å; C194-I289 PolarHBondContact N-O 3.3Å; C194-N290 WeakPolarHBondContact O-CA 3.37Å; C194-M291 PolarHBondContact O-N 3.47Å |
| 195 | V | 94.3 | Very high | 77.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.6 | -179.5 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | K212 L213 M215 V226 T230 L258 M291 L293 | V195-K212 CarbonylContact O-C 3.55Å; V195-K212 WeakPolarHBondContact O-CA 3.47Å; V195-L213 PolarHBondContact N-O 3.4Å; V195-L213 PolarHBondContact O-N 3.15Å; V195-M215 HydrophobicContact CG2-CE 4.39Å; V195-V226 HydrophobicContact CG2-CG1 3.98Å; V195-T230 HydrophobicContact CB-CG2 4.13Å; V195-T230 HydrophobicContact CG1-CG2 3.81Å; V195-L258 HydrophobicContact CG1-CD2 3.97Å; V195-M291 CarbonylContact C-O 3.54Å; V195-M291 WeakPolarHBondContact CA-O 3.36Å; V195-M291 HydrophobicContact CG2-CB 4.47Å; V195-L293 HydrophobicContact CG1-CB 3.99Å |
| 196 | W | 92.5 | Very high | 77.9 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 2% | 0.023 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 133.1 | 176.8 | -67.9 | 83.7 | 0 | 0 | 0 | 110.3 | K212 N290 M291 I292 L293 V814 E816 L817 | W196-K212 HydrophobicContact CD2-CB 3.92Å; W196-K212 HydrophobicContact CD2-CD 4.34Å; W196-K212 HydrophobicContact CE3-CB 3.91Å; W196-K212 HydrophobicContact CE3-CD 4.26Å; W196-K212 HydrophobicContact CG-CB 4.36Å; W196-K212 HydrophobicContact CH2-CD 3.6Å; W196-K212 HydrophobicContact CZ2-CD 3.65Å; W196-K212 HydrophobicContact CZ3-CB 4.3Å; W196-K212 HydrophobicContact CZ3-CD 3.88Å; W196-N290 PolarHBondContact NE1-OD1 3.23Å; W196-M291 PolarHBondContact N-O 3.02Å; W196-I292 HydrophobicContact CB-CG1 4.3Å; W196-L293 WeakPolarHBondContact O-CB 3.37Å; W196-L293 PolarHBondContact O-N 3.35Å; W196-V814 HydrophobicContact CE3-CB 4.36Å; W196-V814 HydrophobicContact CE3-CG1 3.85Å; W196-V814 HydrophobicContact CE3-CG2 3.87Å; W196-V814 HydrophobicContact CH2-CG1 3.54Å; W196-V814 HydrophobicContact CZ2-CG1 4.32Å; W196-V814 HydrophobicContact CZ3-CB 4.27Å; W196-V814 HydrophobicContact CZ3-CG1 3.3Å; W196-V814 HydrophobicContact CZ3-CG2 4.1Å; W196-E816 HydrophobicContact CH2-CB 4.01Å; W196-E816 HydrophobicContact CH2-CG 4.43Å; W196-E816 WeakPolarHBondContact CH2-OE2 3.46Å; W196-E816 HydrophobicContact CZ2-CB 4.23Å; W196-L817 HydrophobicContact CB-CD1 4.31Å; W196-L817 HydrophobicContact CD2-CD1 3.89Å; W196-L817 HydrophobicContact CD2-CG 4.36Å; W196-L817 HydrophobicContact CG-CD1 3.72Å; W196-L817 HydrophobicContact CZ2-CD2 4.21Å; W196-L817 HydrophobicContact CZ2-CG 4.2Å |
| 197 | L | 89.6 | Confident | 77.4 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -100.5 | 138.9 | -170.9 | -59.6 | 178.7 | 0 | 0 | 0 | 111.2 | V201 I202 N211 L213 T230 A234 L293 | L197-V201 HydrophobicContact CD1-CG1 4.39Å; L197-V201 HydrophobicContact CD2-CG1 4.32Å; L197-I202 HydrophobicContact CB-CD1 3.74Å; L197-I202 HydrophobicContact CB-CG1 4.14Å; L197-I202 HydrophobicContact CD1-CD1 4.11Å; L197-I202 HydrophobicContact CD1-CG1 4.14Å; L197-N211 PolarHBondContact N-O 3.39Å; L197-L213 HydrophobicContact CD1-CD1 4.04Å; L197-L213 HydrophobicContact CD1-CG 4.12Å; L197-L213 HydrophobicContact CD2-CD1 4.47Å; L197-T230 HydrophobicContact CD2-CG2 3.47Å; L197-T230 VanDerWaalsContact CD2-CG2 3.47Å; L197-A234 HydrophobicContact CD1-CB 4.16Å; L197-L293 HydrophobicContact CD2-CD2 4.02Å |
| 198 | P | 84.4 | Confident | 76.6 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 158.4 | 175.8 | 34.7 | -34.6 | 0 | 0 | 0 | 110.6 | D200 V201 Y256 L293 | P198-D200 VanDerWaalsContact CB-OD1 3.22Å; P198-D200 WeakPolarHBondContact CB-OD1 3.02Å; P198-D200 WeakPolarHBondContact CG-OD1 3.25Å; P198-D200 PolarHBondContact O-N 3.48Å; P198-D200 VanDerWaalsContact O-N 3.14Å; P198-V201 HydrophobicContact CG-CB 4.35Å; P198-V201 HydrophobicContact CG-CG2 3.77Å; P198-V201 PolarHBondContact O-N 3.14Å; P198-Y256 HydrophobicContact CG-CE1 4.05Å; P198-L293 VanDerWaalsContact CD-O 3.26Å; P198-L293 WeakPolarHBondContact CD-O 3.3Å; P198-L293 WeakPolarHBondContact CG-O 3.35Å |
| 199 | P | 77.9 | Confident | 75.6 | Confident | 115 Ų | 115 | 70.9 Ų | 70.9 | 75% | 0.747 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -57.4 | -29.6 | -175.6 | -25.9 | 34.5 | 0 | 0 | 0 | 114.7 | V201 I202 | P199-V201 PolarHBondContact O-N 3.35Å; P199-I202 CarbonylContact O-C 3.53Å; P199-I202 PolarHBondContact O-N 2.93Å |
| 200 | D | 77.8 | Confident | 74.7 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -71.2 | -17.6 | 179.4 | 62.5 | -57.2 | 0 | 0 | 0 | 113.9 | P198 Y256 | P198-D200 VanDerWaalsContact CB-OD1 3.22Å; P198-D200 WeakPolarHBondContact CB-OD1 3.02Å; P198-D200 WeakPolarHBondContact CG-OD1 3.25Å; P198-D200 PolarHBondContact O-N 3.48Å; P198-D200 VanDerWaalsContact O-N 3.14Å; D200-Y256 WeakPolarHBondContact OD2-CE1 3.44Å; D200-Y256 PolarHBondContact OD2-OH 3.16Å |
| 201 | V | 77.7 | Confident | 74.3 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 11% | 0.109 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -87.4 | -22 | 174 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | L197 P198 P199 L231 A234 Y256 L293 | L197-V201 HydrophobicContact CD1-CG1 4.39Å; L197-V201 HydrophobicContact CD2-CG1 4.32Å; P198-V201 HydrophobicContact CG-CB 4.35Å; P198-V201 HydrophobicContact CG-CG2 3.77Å; P198-V201 PolarHBondContact O-N 3.14Å; P199-V201 PolarHBondContact O-N 3.35Å; V201-L231 HydrophobicContact CG1-CD2 4.33Å; V201-L231 HydrophobicContact CG2-CD2 4.33Å; V201-A234 HydrophobicContact CG1-CB 4Å; V201-Y256 HydrophobicContact CG2-CE1 3.66Å; V201-Y256 HydrophobicContact CG2-CE2 4.4Å; V201-Y256 WeakPolarHBondContact CG2-OH 3.06Å; V201-L293 HydrophobicContact CG2-CD2 4.27Å |
| 202 | I | 70.2 | Confident | 74.2 | Confident | 31 Ų | 31 | 73.7 Ų | 73.7 | 16% | 0.159 | 37% | 0.374 | C | S | . | . | trans | -111.7 | 101.3 | -179.9 | -60 | 167.5 | 0 | 0 | 0 | 108.5 | L197 P199 D204 R210 N211 | L197-I202 HydrophobicContact CB-CD1 3.74Å; L197-I202 HydrophobicContact CB-CG1 4.14Å; L197-I202 HydrophobicContact CD1-CD1 4.11Å; L197-I202 HydrophobicContact CD1-CG1 4.14Å; P199-I202 CarbonylContact O-C 3.53Å; P199-I202 PolarHBondContact O-N 2.93Å; I202-D204 PolarHBondContact O-N 2.72Å; I202-R210 VanDerWaalsContact CD1-O 3.23Å; I202-R210 WeakPolarHBondContact CD1-O 3.1Å; I202-N211 HydrophobicContact CD1-CB 4.2Å | ||
| 203 | K | 62 | Low | 74.1 | Confident | 177 Ų | 177 | 71.5 Ų | 71.5 | 77% | 0.77 | 36% | 0.362 | S | S | * | . | trans | -72.7 | -12.5 | -177.7 | -67.5 | -176.7 | 179.7 | -179.9 | 0 | 114.5 | E238 | K203-E238 PolarHBondContact N-OE1 3.49Š| ||
| 204 | D | 56.7 | Low | 74.1 | Confident | 80 Ų | 80 | 75 Ų | 75 | 43% | 0.428 | 38% | 0.384 | S | S | . | . | trans | -112.3 | 96.5 | -172.9 | -165.7 | -0.3 | 0 | 0 | 0 | 112.2 | I202 S206 S207 | I202-D204 PolarHBondContact O-N 2.72Å; D204-S206 VanDerWaalsContact CG-OG 3.25Å; D204-S206 PolarHBondContact O-N 2.96Å; D204-S206 VanDerWaalsContact O-N 3.14Å; D204-S206 WeakPolarHBondContact OD1-CB 3.48Å; D204-S206 PolarHBondContact OD1-N 3.28Å; D204-S206 PolarHBondContact OD1-OG 2.72Å; D204-S206 PolarHBondContact OD2-OG 3.1Å; D204-S207 PolarHBondContact O-N 3.1Å | ||
| 205 | E | 53.1 | Low | 74 | Confident | 196 Ų | 196 | 74.8 Ų | 74.8 | 92% | 0.916 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17 | 176.5 | -66.7 | -172.5 | 158.9 | 0 | 0 | 113.1 | S207 | E205-S207 VanDerWaalsContact C-N 3.3Å; E205-S207 PolarHBondContact O-N 2.94Å |
| 206 | S | 51.7 | Low | 74 | Confident | 99 Ų | 99 | 81.6 Ų | 81.6 | 69% | 0.692 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.5 | -174.9 | 73.2 | 0 | 0 | 0 | 0 | 114.4 | D204 | D204-S206 VanDerWaalsContact CG-OG 3.25Å; D204-S206 PolarHBondContact O-N 2.96Å; D204-S206 VanDerWaalsContact O-N 3.14Å; D204-S206 WeakPolarHBondContact OD1-CB 3.48Å; D204-S206 PolarHBondContact OD1-N 3.28Å; D204-S206 PolarHBondContact OD1-OG 2.72Å; D204-S206 PolarHBondContact OD2-OG 3.1Å |
| 207 | S | 51 | Low | 74 | Confident | 27 Ų | 27 | 81.9 Ų | 81.9 | 19% | 0.189 | 41% | 0.414 | C | S | . | . | trans | -116.3 | 76.6 | -177.3 | 71.3 | 0 | 0 | 0 | 0 | 113 | D204 E205 R209 R210 | D204-S207 PolarHBondContact O-N 3.1Å; E205-S207 VanDerWaalsContact C-N 3.3Å; E205-S207 PolarHBondContact O-N 2.94Å; S207-R209 PolarHBondContact O-N 2.68Å; S207-R210 PolarHBondContact O-N 3.09Å | ||
| 208 | S | 50.7 | Low | 74.2 | Confident | 104 Ų | 104 | 83.5 Ų | 83.5 | 73% | 0.727 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -52.8 | -15.9 | 173.5 | 65 | 0 | 0 | 0 | 0 | 114.5 | ||
| 209 | R | 54.5 | Low | 74.4 | Confident | 235 Ų | 235 | 84.4 Ų | 84.4 | 89% | 0.887 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -77.5 | -11.8 | 176.4 | -72.2 | -172.5 | 177.3 | 179.8 | 0.2 | 115.3 | S207 | S207-R209 PolarHBondContact O-N 2.68Š|
| 210 | R | 64.8 | Low | 75 | Confident | 128 Ų | 128 | 82.1 Ų | 82.1 | 48% | 0.483 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -105 | 14.7 | -171.4 | -68 | -172.9 | -178.9 | 179.1 | -0.8 | 115 | I202 S207 K212 | I202-R210 VanDerWaalsContact CD1-O 3.23Å; I202-R210 WeakPolarHBondContact CD1-O 3.1Å; S207-R210 PolarHBondContact O-N 3.09Å; R210-K212 VanDerWaalsContact C-N 3.32Å; R210-K212 PolarHBondContact O-N 3.31Å |
| 211 | N | 80.2 | Confident | 75.8 | Confident | 50 Ų | 50 | 78.7 Ų | 78.7 | 27% | 0.267 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -81.3 | 0.6 | -175.6 | 65.9 | -5.1 | 0 | 0 | 0 | 116.2 | L197 I202 | L197-N211 PolarHBondContact N-O 3.39Å; I202-N211 HydrophobicContact CD1-CB 4.2Å |
| 212 | K | 88.9 | Confident | 76.6 | Confident | 79 Ų | 79 | 81.1 Ų | 81.1 | 34% | 0.343 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 151 | 178.4 | 65.3 | -168.7 | 176.1 | -171.6 | 0 | 112.9 | V195 W196 R210 E816 | V195-K212 CarbonylContact O-C 3.55Å; V195-K212 WeakPolarHBondContact O-CA 3.47Å; W196-K212 HydrophobicContact CD2-CB 3.92Å; W196-K212 HydrophobicContact CD2-CD 4.34Å; W196-K212 HydrophobicContact CE3-CB 3.91Å; W196-K212 HydrophobicContact CE3-CD 4.26Å; W196-K212 HydrophobicContact CG-CB 4.36Å; W196-K212 HydrophobicContact CH2-CD 3.6Å; W196-K212 HydrophobicContact CZ2-CD 3.65Å; W196-K212 HydrophobicContact CZ3-CB 4.3Å; W196-K212 HydrophobicContact CZ3-CD 3.88Å; R210-K212 VanDerWaalsContact C-N 3.32Å; R210-K212 PolarHBondContact O-N 3.31Å; K212-E816 IonicContact NZ-OE2 2.66Å; K212-E816 PolarHBondContact NZ-OE2 3.27Å |
| 213 | L | 91.1 | Very high | 77.7 | Confident | 23 Ų | 23 | 79.9 Ų | 79.9 | 12% | 0.12 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 122.7 | 175.9 | -68.3 | 176.1 | 0 | 0 | 0 | 110.4 | V195 L197 T230 R233 A234 L237 | V195-L213 PolarHBondContact N-O 3.4Å; V195-L213 PolarHBondContact O-N 3.15Å; L197-L213 HydrophobicContact CD1-CD1 4.04Å; L197-L213 HydrophobicContact CD1-CG 4.12Å; L197-L213 HydrophobicContact CD2-CD1 4.47Å; L213-T230 HydrophobicContact CD1-CG2 4.13Å; L213-R233 HydrophobicContact CD1-CB 3.9Å; L213-A234 HydrophobicContact CD1-CB 4.08Å; L213-L237 HydrophobicContact CD2-CD1 3.56Å |
| 214 | T | 92.3 | Very high | 79.2 | Confident | 74 Ų | 74 | 74.4 Ų | 74.4 | 45% | 0.454 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.6 | 173.4 | -48.1 | 0 | 0 | 0 | 0 | 110.3 | L192 L193 | L192-T214 HydrophobicContact CD1-CG2 3.59Å; L192-T214 HydrophobicContact CG-CG2 3.89Å; L193-T214 CarbonylContact O-C 3.59Å; L193-T214 VanDerWaalsContact O-CA 3.24Å; L193-T214 WeakPolarHBondContact O-CA 3.4Å |
| 215 | M | 92.6 | Very high | 81 | Confident | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 145.3 | 179.4 | 60.7 | -179.5 | 76.8 | 0 | 0 | 111.9 | L193 V195 V217 V226 E229 T230 | L193-M215 HydrophobicContact CB-CG 4.26Å; L193-M215 PolarHBondContact N-O 3.44Å; L193-M215 PolarHBondContact O-N 3.04Å; V195-M215 HydrophobicContact CG2-CE 4.39Å; M215-V217 HydrophobicContact CB-CG1 4.47Å; M215-V217 HydrophobicContact CG-CG1 3.87Å; M215-V217 HydrophobicContact SD-CG1 3.87Å; M215-V226 HydrophobicContact SD-CG1 4.2Å; M215-E229 HydrophobicContact CE-CG 4.34Å; M215-E229 HydrophobicContact SD-CB 4.37Å; M215-E229 HydrophobicContact SD-CG 3.99Å; M215-T230 WeakPolarHBondContact CE-OG1 3.38Å |
| 216 | K | 93.5 | Very high | 82.9 | Confident | 143 Ų | 143 | 65.4 Ų | 65.4 | 62% | 0.622 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 120.6 | 171.1 | -174.6 | 176.9 | -179.1 | 178 | 0 | 108.3 | H190 L191 | H190-K216 HydrophobicContact CB-CD 4.2Å; H190-K216 HydrophobicContact CB-CG 3.83Å; H190-K216 VanDerWaalsContact CG-CE 3.43Å; L191-K216 CarbonylContact O-C 3.59Å; L191-K216 WeakPolarHBondContact O-CA 3.46Å |
| 217 | V | 93 | Very high | 84.9 | Confident | 11 Ų | 11 | 61 Ų | 61 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 145.9 | -179.6 | -58 | 0 | 0 | 0 | 0 | 110.7 | H190 L191 L193 M215 V226 L273 | H190-V217 CarbonylContact C-O 3.58Å; H190-V217 VanDerWaalsContact CA-O 3.29Å; H190-V217 WeakPolarHBondContact CA-O 3.48Å; L191-V217 HydrophobicContact CB-CG2 4.19Å; L191-V217 PolarHBondContact N-O 3.48Å; L191-V217 PolarHBondContact O-N 2.9Å; L193-V217 HydrophobicContact CD1-CG1 4.47Å; L193-V217 HydrophobicContact CD1-CG2 3.39Å; L193-V217 HydrophobicContact CG-CG2 3.74Å; M215-V217 HydrophobicContact CB-CG1 4.47Å; M215-V217 HydrophobicContact CG-CG1 3.87Å; M215-V217 HydrophobicContact SD-CG1 3.87Å; V217-V226 HydrophobicContact CG1-CG2 4.45Å; V217-V226 HydrophobicContact CG2-CG2 4.48Å; V217-L273 HydrophobicContact CG2-CD1 4.11Å |
| 218 | P | 93.1 | Very high | 86.9 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 146.1 | 170 | -24.1 | 32.9 | 0 | 0 | 0 | 112 | S220 S221 | P218-S220 PolarHBondContact O-N 3.3Å; P218-S220 VanDerWaalsContact O-N 3.17Å; P218-S221 VanDerWaalsContact CD-OG 3.31Å; P218-S221 WeakPolarHBondContact CD-OG 3.43Å; P218-S221 VanDerWaalsContact O-CB 3.3Å; P218-S221 WeakPolarHBondContact O-CB 3.46Å; P218-S221 PolarHBondContact O-N 2.69Å; P218-S221 PolarHBondContact O-OG 3.1Å |
| 219 | L | 88.8 | Confident | 88.8 | Confident | 37 Ų | 37 | 60 Ų | 60 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -29.1 | 173.9 | -172.7 | 67.6 | 0 | 0 | 0 | 112.7 | I187 T189 L191 S221 G274 | I187-L219 HydrophobicContact CG2-CD1 4.2Å; I187-L219 HydrophobicContact CG2-CD2 3.92Å; T189-L219 PolarHBondContact O-N 2.98Å; T189-L219 VanDerWaalsContact O-N 3.09Å; L191-L219 HydrophobicContact CD1-CD1 3.84Å; L191-L219 HydrophobicContact CD2-CD1 3.9Å; L191-L219 HydrophobicContact CG-CD1 3.95Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 3.37Å; L219-G274 PolarHBondContact O-N 3.1Å |
| 220 | S | 91.9 | Very high | 90.6 | Very high | 67 Ų | 67 | 48.9 Ų | 48.9 | 47% | 0.469 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -1.4 | 177.9 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | P218 | P218-S220 PolarHBondContact O-N 3.3Å; P218-S220 VanDerWaalsContact O-N 3.17Å |
| 221 | S | 93.6 | Very high | 91.7 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | trans | -66.3 | 149.9 | 176.2 | -48.6 | 0 | 0 | 0 | 0 | 109.7 | P218 L219 L273 | P218-S221 VanDerWaalsContact CD-OG 3.31Å; P218-S221 WeakPolarHBondContact CD-OG 3.43Å; P218-S221 VanDerWaalsContact O-CB 3.3Å; P218-S221 WeakPolarHBondContact O-CB 3.46Å; P218-S221 PolarHBondContact O-N 2.69Å; P218-S221 PolarHBondContact O-OG 3.1Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 3.37Å; S221-L273 VanDerWaalsContact O-CG 3.24Å; S221-L273 WeakPolarHBondContact O-CG 3.29Å; S221-L273 PolarHBondContact O-N 2.91Å | ||
| 222 | K | 94.7 | Very high | 92 | Very high | 69 Ų | 69 | 43.8 Ų | 43.8 | 30% | 0.3 | 23% | 0.23 | S | C | . | . | trans | -96.7 | 160.7 | 173.7 | -57.1 | -166.5 | -176.8 | 177.2 | 0 | 111.4 | N224 D225 V226 D270 | K222-N224 PolarHBondContact O-N 3.33Å; K222-D225 WeakPolarHBondContact CB-OD2 3.21Å; K222-D225 PolarHBondContact N-OD2 3.27Å; K222-D225 WeakPolarHBondContact O-CB 3.28Å; K222-D225 PolarHBondContact O-N 3.23Å; K222-V226 PolarHBondContact O-N 2.91Å; K222-D270 WeakPolarHBondContact CD-OD1 3.22Å; K222-D270 IonicContact NZ-OD1 3.23Å; K222-D270 PolarHBondContact NZ-OD1 3.03Å; K222-D270 IonicContact NZ-OD2 3.6Å; K222-D270 PolarHBondContact NZ-OD2 3.44Å | ||
| 223 | P | 94.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -52 | -40.9 | 175.8 | -29.5 | 35.7 | 0 | 0 | 0 | 113.6 | D225 V226 I227 L258 F267 V271 L273 Y276 | P223-D225 VanDerWaalsContact C-N 3.33Å; P223-D225 PolarHBondContact O-N 2.88Å; P223-V226 PolarHBondContact O-N 2.97Å; P223-I227 VanDerWaalsContact O-CG1 3.32Å; P223-I227 WeakPolarHBondContact O-CG1 3.25Å; P223-I227 PolarHBondContact O-N 3.48Å; P223-L258 HydrophobicContact CB-CD1 4.33Å; P223-F267 HydrophobicContact CB-CB 3.95Å; P223-F267 HydrophobicContact CG-CB 3.77Å; P223-V271 WeakPolarHBondContact CD-O 3.31Å; P223-L273 HydrophobicContact CG-CD2 4.25Å; P223-Y276 HydrophobicContact CG-CE2 3.89Å |
| 224 | N | 93.3 | Very high | 91.5 | Very high | 63 Ų | 63 | 43.6 Ų | 43.6 | 34% | 0.337 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.7 | -31.5 | 179.6 | -164.3 | 57 | 0 | 0 | 0 | 113.1 | K222 I227 T228 | K222-N224 PolarHBondContact O-N 3.33Å; N224-I227 PolarHBondContact O-N 3.45Å; N224-T228 WeakPolarHBondContact O-CB 3.32Å; N224-T228 PolarHBondContact O-N 3.11Å; N224-T228 PolarHBondContact O-OG1 3.18Å |
| 225 | D | 93 | Very high | 90.9 | Very high | 86 Ų | 86 | 43.4 Ų | 43.4 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65 | -43.3 | 174.7 | -56.4 | -35.8 | 0 | 0 | 0 | 110.1 | K222 P223 T228 E229 | K222-D225 WeakPolarHBondContact CB-OD2 3.21Å; K222-D225 PolarHBondContact N-OD2 3.27Å; K222-D225 WeakPolarHBondContact O-CB 3.28Å; K222-D225 PolarHBondContact O-N 3.23Å; P223-D225 VanDerWaalsContact C-N 3.33Å; P223-D225 PolarHBondContact O-N 2.88Å; D225-T228 PolarHBondContact O-N 3.23Å; D225-E229 WeakPolarHBondContact O-CB 3.3Å; D225-E229 PolarHBondContact O-N 2.91Å |
| 226 | V | 94.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 176.2 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | L193 V195 M215 V217 K222 P223 E229 T230 L258 L273 | L193-V226 HydrophobicContact CD1-CG1 4.02Å; L193-V226 HydrophobicContact CD1-CG2 3.86Å; V195-V226 HydrophobicContact CG2-CG1 3.98Å; M215-V226 HydrophobicContact SD-CG1 4.2Å; V217-V226 HydrophobicContact CG1-CG2 4.45Å; V217-V226 HydrophobicContact CG2-CG2 4.48Å; K222-V226 PolarHBondContact O-N 2.91Å; P223-V226 PolarHBondContact O-N 2.97Å; V226-E229 PolarHBondContact O-N 3.22Å; V226-T230 VanDerWaalsContact O-CB 3.23Å; V226-T230 WeakPolarHBondContact O-CB 3.38Å; V226-T230 PolarHBondContact O-N 3.36Å; V226-T230 PolarHBondContact O-OG1 2.57Å; V226-L258 HydrophobicContact CB-CD1 3.88Å; V226-L258 HydrophobicContact CG1-CD1 3.79Å; V226-L273 HydrophobicContact CG2-CD1 3.62Å |
| 227 | I | 94.4 | Very high | 89 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 176.4 | -66.9 | 166.4 | 0 | 0 | 0 | 110.2 | P223 N224 E229 T230 L231 A253 L258 L293 | P223-I227 VanDerWaalsContact O-CG1 3.32Å; P223-I227 WeakPolarHBondContact O-CG1 3.25Å; P223-I227 PolarHBondContact O-N 3.48Å; N224-I227 PolarHBondContact O-N 3.45Å; I227-E229 PolarHBondContact O-N 2.89Å; I227-T230 WeakPolarHBondContact O-CB 3.25Å; I227-T230 PolarHBondContact O-N 2.87Å; I227-L231 HydrophobicContact CG2-CD1 3.81Å; I227-L231 HydrophobicContact CG2-CG 4.38Å; I227-L231 WeakPolarHBondContact O-CG 3.4Å; I227-L231 PolarHBondContact O-N 3.45Å; I227-A253 HydrophobicContact CG2-CB 3.75Å; I227-L258 HydrophobicContact CD1-CG 4.12Å; I227-L258 HydrophobicContact CG1-CD1 4.03Å; I227-L258 HydrophobicContact CG1-CD2 4.1Å; I227-L258 HydrophobicContact CG1-CG 3.66Å; I227-L293 HydrophobicContact CB-CD1 4.48Å; I227-L293 HydrophobicContact CG1-CD1 3.98Å; I227-L293 HydrophobicContact CG2-CD1 4.1Å |
| 228 | T | 91.9 | Very high | 87.8 | Confident | 41 Ų | 41 | 51 Ų | 51 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | -179.3 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | N224 D225 T230 L231 H232 I249 | N224-T228 WeakPolarHBondContact O-CB 3.32Å; N224-T228 PolarHBondContact O-N 3.11Å; N224-T228 PolarHBondContact O-OG1 3.18Å; D225-T228 PolarHBondContact O-N 3.23Å; T228-T230 PolarHBondContact O-N 2.85Å; T228-L231 PolarHBondContact O-N 3.38Å; T228-H232 WeakPolarHBondContact O-CB 3.47Å; T228-H232 PolarHBondContact O-N 2.94Å; T228-I249 HydrophobicContact CG2-CG2 3.9Å |
| 229 | E | 90.7 | Very high | 86.2 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 177.6 | -179.4 | 61.6 | -170.2 | 0 | 0 | 112 | M215 D225 V226 I227 H232 R233 | M215-E229 HydrophobicContact CE-CG 4.34Å; M215-E229 HydrophobicContact SD-CB 4.37Å; M215-E229 HydrophobicContact SD-CG 3.99Å; D225-E229 WeakPolarHBondContact O-CB 3.3Å; D225-E229 PolarHBondContact O-N 2.91Å; V226-E229 PolarHBondContact O-N 3.22Å; I227-E229 PolarHBondContact O-N 2.89Å; E229-H232 PolarHBondContact O-N 2.98Å; E229-R233 WeakPolarHBondContact O-CB 3.43Å; E229-R233 WeakPolarHBondContact O-CG 3.48Å; E229-R233 PolarHBondContact O-N 2.86Å; E229-R233 IonicContact OE1-CZ 2.84Å; E229-R233 VanDerWaalsContact OE1-CZ 3.23Å; E229-R233 IonicContact OE1-NE 3.49Å; E229-R233 PolarHBondContact OE1-NE 2.72Å; E229-R233 IonicContact OE1-NH2 3.25Å; E229-R233 PolarHBondContact OE1-NH2 3.4Å |
| 230 | T | 91.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 175.5 | -60.3 | 0 | 0 | 0 | 0 | 111 | V195 L197 L213 M215 V226 I227 T228 R233 A234 L293 | V195-T230 HydrophobicContact CB-CG2 4.13Å; V195-T230 HydrophobicContact CG1-CG2 3.81Å; L197-T230 HydrophobicContact CD2-CG2 3.47Å; L197-T230 VanDerWaalsContact CD2-CG2 3.47Å; L213-T230 HydrophobicContact CD1-CG2 4.13Å; M215-T230 WeakPolarHBondContact CE-OG1 3.38Å; V226-T230 VanDerWaalsContact O-CB 3.23Å; V226-T230 WeakPolarHBondContact O-CB 3.38Å; V226-T230 PolarHBondContact O-N 3.36Å; V226-T230 PolarHBondContact O-OG1 2.57Å; I227-T230 WeakPolarHBondContact O-CB 3.25Å; I227-T230 PolarHBondContact O-N 2.87Å; T228-T230 PolarHBondContact O-N 2.85Å; T230-R233 PolarHBondContact O-N 3.45Å; T230-A234 WeakPolarHBondContact O-CB 3.37Å; T230-A234 PolarHBondContact O-N 3.37Å; T230-L293 HydrophobicContact CG2-CD2 4.28Å |
| 231 | L | 88.9 | Confident | 82.7 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 179.9 | -68.2 | 172 | 0 | 0 | 0 | 112 | V201 I227 T228 R235 I249 L252 A253 Y256 L293 | V201-L231 HydrophobicContact CG1-CD2 4.33Å; V201-L231 HydrophobicContact CG2-CD2 4.33Å; I227-L231 HydrophobicContact CG2-CD1 3.81Å; I227-L231 HydrophobicContact CG2-CG 4.38Å; I227-L231 WeakPolarHBondContact O-CG 3.4Å; I227-L231 PolarHBondContact O-N 3.45Å; T228-L231 PolarHBondContact O-N 3.38Å; L231-R235 WeakPolarHBondContact O-CB 3.37Å; L231-R235 WeakPolarHBondContact O-CG 3.28Å; L231-R235 PolarHBondContact O-N 3Å; L231-I249 HydrophobicContact CB-CG2 4.05Å; L231-L252 HydrophobicContact CB-CD2 4.5Å; L231-L252 HydrophobicContact CD1-CB 4.33Å; L231-L252 HydrophobicContact CD1-CD2 4.01Å; L231-L252 HydrophobicContact CD1-CG 4.06Å; L231-L252 HydrophobicContact CD2-CD2 4.06Å; L231-L252 HydrophobicContact CG-CD2 4.42Å; L231-A253 HydrophobicContact CD1-CB 4.09Å; L231-Y256 HydrophobicContact CD1-CD2 4.04Å; L231-Y256 HydrophobicContact CD2-CD2 4.24Å; L231-Y256 HydrophobicContact CD2-CE2 4.16Å; L231-L293 HydrophobicContact CD2-CD2 3.96Å |
| 232 | H | 85.9 | Confident | 80.8 | Confident | 70 Ų | 70 | 69.4 Ų | 69.4 | 32% | 0.324 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 174.3 | -179.8 | -92.1 | 0 | 0 | 0 | 111.4 | T228 E229 K236 I249 | T228-H232 WeakPolarHBondContact O-CB 3.47Å; T228-H232 PolarHBondContact O-N 2.94Å; E229-H232 PolarHBondContact O-N 2.98Å; H232-K236 WeakPolarHBondContact O-CB 3.36Å; H232-K236 PolarHBondContact O-N 3.09Å; H232-I249 HydrophobicContact CB-CD1 3.91Å; H232-I249 VanDerWaalsContact CD2-CD1 3.5Å; H232-I249 WeakPolarHBondContact CD2-CD1 3.33Å |
| 233 | R | 86.9 | Confident | 78.9 | Confident | 88 Ų | 88 | 72.1 Ų | 72.1 | 33% | 0.332 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 176.3 | -73.2 | -174.8 | -171 | -161.6 | 3.9 | 112.7 | L213 E229 T230 R235 K236 L237 | L213-R233 HydrophobicContact CD1-CB 3.9Å; E229-R233 WeakPolarHBondContact O-CB 3.43Å; E229-R233 WeakPolarHBondContact O-CG 3.48Å; E229-R233 PolarHBondContact O-N 2.86Å; E229-R233 IonicContact OE1-CZ 2.84Å; E229-R233 VanDerWaalsContact OE1-CZ 3.23Å; E229-R233 IonicContact OE1-NE 3.49Å; E229-R233 PolarHBondContact OE1-NE 2.72Å; E229-R233 IonicContact OE1-NH2 3.25Å; E229-R233 PolarHBondContact OE1-NH2 3.4Å; T230-R233 PolarHBondContact O-N 3.45Å; R233-R235 PolarHBondContact O-N 2.8Å; R233-K236 PolarHBondContact O-N 2.98Å; R233-L237 WeakPolarHBondContact O-CG 3.37Å; R233-L237 PolarHBondContact O-N 3.33Å; R233-L237 VanDerWaalsContact O-N 3.12Å |
| 234 | A | 83.2 | Confident | 77 | Confident | 10 Ų | 10 | 74 Ų | 74 | 8% | 0.083 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L197 V201 L213 T230 K236 L237 E238 | L197-A234 HydrophobicContact CD1-CB 4.16Å; V201-A234 HydrophobicContact CG1-CB 4Å; L213-A234 HydrophobicContact CD1-CB 4.08Å; T230-A234 WeakPolarHBondContact O-CB 3.37Å; T230-A234 PolarHBondContact O-N 3.37Å; A234-K236 PolarHBondContact O-N 3.11Å; A234-L237 WeakPolarHBondContact O-CB 3.5Å; A234-L237 PolarHBondContact O-N 3.03Å; A234-L237 VanDerWaalsContact O-N 3.17Å; A234-E238 PolarHBondContact O-N 3.06Å; A234-E238 VanDerWaalsContact O-N 3.16Å |
| 235 | R | 78.4 | Confident | 75.3 | Confident | 70 Ų | 70 | 75.3 Ų | 75.3 | 26% | 0.264 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.6 | -35.4 | 177.6 | -77.4 | -175.1 | 167.8 | 178.8 | -3.4 | 113.6 | L231 R233 L237 E238 N239 L248 | L231-R235 WeakPolarHBondContact O-CB 3.37Å; L231-R235 WeakPolarHBondContact O-CG 3.28Å; L231-R235 PolarHBondContact O-N 3Å; R233-R235 PolarHBondContact O-N 2.8Å; R235-L237 PolarHBondContact O-N 3.12Å; R235-E238 PolarHBondContact O-N 3.02Å; R235-N239 PolarHBondContact O-N 3.11Å; R235-L248 PolarHBondContact NH1-O 3.36Å |
| 236 | K | 76.5 | Confident | 73.8 | Confident | 153 Ų | 153 | 76.8 Ų | 76.8 | 67% | 0.665 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.7 | -29.4 | 175.2 | -171.9 | 176.2 | 178.7 | -178.7 | 0 | 111.9 | H232 R233 A234 | H232-K236 WeakPolarHBondContact O-CB 3.36Å; H232-K236 PolarHBondContact O-N 3.09Å; R233-K236 PolarHBondContact O-N 2.98Å; A234-K236 PolarHBondContact O-N 3.11Å |
| 237 | L | 71.1 | Confident | 72.2 | Confident | 90 Ų | 90 | 85.3 Ų | 85.3 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -78.6 | -26.8 | 174.7 | -68.3 | 165.2 | 0 | 0 | 0 | 113.1 | L213 R233 A234 R235 | L213-L237 HydrophobicContact CD2-CD1 3.56Å; R233-L237 WeakPolarHBondContact O-CG 3.37Å; R233-L237 PolarHBondContact O-N 3.33Å; R233-L237 VanDerWaalsContact O-N 3.12Å; A234-L237 WeakPolarHBondContact O-CB 3.5Å; A234-L237 PolarHBondContact O-N 3.03Å; A234-L237 VanDerWaalsContact O-N 3.17Å; R235-L237 PolarHBondContact O-N 3.12Å |
| 238 | E | 66.6 | Low | 71 | Confident | 72 Ų | 72 | 89.4 Ų | 89.4 | 34% | 0.336 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -83.6 | -36.8 | 175.4 | -72.3 | -166.1 | 149.9 | 0 | 0 | 113.4 | K203 A234 R235 | K203-E238 PolarHBondContact N-OE1 3.49Å; A234-E238 PolarHBondContact O-N 3.06Å; A234-E238 VanDerWaalsContact O-N 3.16Å; R235-E238 PolarHBondContact O-N 3.02Å |
| 239 | N | 61.1 | Low | 70.2 | Confident | 103 Ų | 103 | 87.6 Ų | 87.6 | 55% | 0.551 | 45% | 0.45 | S | S | * | . | trans | -117.7 | 90.7 | -173.9 | -71.1 | -50.6 | 0 | 0 | 0 | 111.2 | R235 G241 | R235-N239 PolarHBondContact O-N 3.11Å; N239-G241 VanDerWaalsContact C-N 3.34Å; N239-G241 PolarHBondContact O-N 2.96Å | ||
| 240 | E | 53.3 | Low | 69.5 | Low | 202 Ų | 202 | 87 Ų | 87 | 94% | 0.944 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 93.6 | 164.9 | -68.7 | -174.1 | 168.1 | 0 | 0 | 109.8 | ||
| 241 | G | 52.4 | Low | 68.9 | Low | 72 Ų | 72 | 91.7 Ų | 91.7 | 74% | 0.742 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.6 | 12.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | N239 | N239-G241 VanDerWaalsContact C-N 3.34Å; N239-G241 PolarHBondContact O-N 2.96Å |
| 242 | K | 55.2 | Low | 68.7 | Low | 184 Ų | 184 | 93 Ų | 93 | 80% | 0.8 | 48% | 0.482 | S | S | * | . | trans | -116 | 126.3 | 166.6 | -74.4 | -175.6 | -179.2 | 176.9 | 0 | 111.6 | S244 | K242-S244 PolarHBondContact O-N 2.91Š| ||
| 243 | P | 54.7 | Low | 68.7 | Low | 127 Ų | 127 | 89.6 Ų | 89.6 | 83% | 0.825 | 47% | 0.466 | S | S | * | . | trans | -63.9 | 106.3 | 173.6 | 25.1 | -30.3 | 0 | 0 | 0 | 108.5 | T245 | P243-T245 PolarHBondContact O-N 3.37Š| ||
| 244 | S | 54.5 | Low | 68.6 | Low | 44 Ų | 44 | 91.9 Ų | 91.9 | 31% | 0.308 | 48% | 0.481 | S | S | . | . | trans | -60.5 | 116.2 | 167.3 | 44.9 | 0 | 0 | 0 | 0 | 108.2 | K242 V246 | K242-S244 PolarHBondContact O-N 2.91Å; S244-V246 PolarHBondContact O-N 3.37Å; S244-V246 VanDerWaalsContact O-N 3.11Å | ||
| 245 | T | 55.9 | Low | 68.9 | Low | 91 Ų | 91 | 98.3 Ų | 98.3 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | trans | -55.8 | 118.6 | 175.9 | -22.2 | 0 | 0 | 0 | 0 | 108 | P243 Y247 L248 | P243-T245 PolarHBondContact O-N 3.37Å; T245-Y247 PolarHBondContact O-N 3.44Å; T245-L248 WeakPolarHBondContact O-CB 3.31Å; T245-L248 PolarHBondContact O-N 3.34Å | ||
| 246 | V | 61.4 | Low | 69.6 | Low | 116 Ų | 116 | 96 Ų | 96 | 70% | 0.703 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -46 | -35.5 | -176.4 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | S244 L248 I249 S250 | S244-V246 PolarHBondContact O-N 3.37Å; S244-V246 VanDerWaalsContact O-N 3.11Å; V246-L248 PolarHBondContact O-N 3.13Å; V246-I249 PolarHBondContact O-N 2.9Å; V246-I249 VanDerWaalsContact O-N 3.13Å; V246-S250 PolarHBondContact O-N 3.36Å |
| 247 | Y | 61 | Low | 70.5 | Confident | 181 Ų | 181 | 88.8 Ų | 88.8 | 71% | 0.71 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -55.2 | -42.9 | 175.7 | -171.2 | -93.2 | 0 | 0 | 0 | 114.2 | T245 I249 S250 E251 | T245-Y247 PolarHBondContact O-N 3.44Å; Y247-I249 PolarHBondContact O-N 2.95Å; Y247-S250 PolarHBondContact O-N 3.38Å; Y247-E251 PolarHBondContact O-N 2.93Å |
| 248 | L | 69 | Low | 71.6 | Confident | 93 Ų | 93 | 84.5 Ų | 84.5 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.6 | -17.1 | 179.9 | -89.5 | 125.6 | 0 | 0 | 0 | 113.6 | R235 T245 V246 L252 | R235-L248 PolarHBondContact NH1-O 3.36Å; T245-L248 WeakPolarHBondContact O-CB 3.31Å; T245-L248 PolarHBondContact O-N 3.34Å; V246-L248 PolarHBondContact O-N 3.13Å; L248-L252 WeakPolarHBondContact O-CB 3.42Å |
| 249 | I | 76.5 | Confident | 72.9 | Confident | 3 Ų | 3 | 81.7 Ų | 81.7 | 2% | 0.015 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -86.6 | -39.1 | 177.4 | -61 | 174.3 | 0 | 0 | 0 | 109.7 | T228 L231 H232 V246 Y247 E251 L252 A253 | T228-I249 HydrophobicContact CG2-CG2 3.9Å; L231-I249 HydrophobicContact CB-CG2 4.05Å; H232-I249 HydrophobicContact CB-CD1 3.91Å; H232-I249 VanDerWaalsContact CD2-CD1 3.5Å; H232-I249 WeakPolarHBondContact CD2-CD1 3.33Å; V246-I249 PolarHBondContact O-N 2.9Å; V246-I249 VanDerWaalsContact O-N 3.13Å; Y247-I249 PolarHBondContact O-N 2.95Å; I249-E251 PolarHBondContact O-N 3.45Å; I249-L252 WeakPolarHBondContact O-CB 3.37Å; I249-L252 PolarHBondContact O-N 2.84Å; I249-L252 VanDerWaalsContact O-N 3.16Å; I249-A253 WeakPolarHBondContact O-CB 3.5Å; I249-A253 PolarHBondContact O-N 2.9Å |
| 250 | S | 75.3 | Confident | 74.4 | Confident | 56 Ų | 56 | 79.2 Ų | 79.2 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 176.6 | -166.1 | 0 | 0 | 0 | 0 | 111.9 | V246 Y247 L252 A253 E254 | V246-S250 PolarHBondContact O-N 3.36Å; Y247-S250 PolarHBondContact O-N 3.38Å; S250-L252 VanDerWaalsContact C-N 3.25Å; S250-L252 PolarHBondContact O-N 2.85Å; S250-A253 WeakPolarHBondContact O-CB 3.16Å; S250-A253 PolarHBondContact O-N 3.19Å; S250-E254 PolarHBondContact O-N 3.42Å |
| 251 | E | 79.1 | Confident | 76.2 | Confident | 99 Ų | 99 | 70.1 Ų | 70.1 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.8 | -30.4 | 177.2 | -164.5 | -168.5 | 151.5 | 0 | 0 | 112.2 | Y247 I249 | Y247-E251 PolarHBondContact O-N 2.93Å; I249-E251 PolarHBondContact O-N 3.45Å |
| 252 | L | 84 | Confident | 77.8 | Confident | 28 Ų | 28 | 66.9 Ų | 66.9 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.3 | -38.1 | 174.8 | -169.9 | 72.7 | 0 | 0 | 0 | 111.6 | L231 L248 I249 S250 E254 R255 Y256 | L231-L252 HydrophobicContact CB-CD2 4.5Å; L231-L252 HydrophobicContact CD1-CB 4.33Å; L231-L252 HydrophobicContact CD1-CD2 4.01Å; L231-L252 HydrophobicContact CD1-CG 4.06Å; L231-L252 HydrophobicContact CD2-CD2 4.06Å; L231-L252 HydrophobicContact CG-CD2 4.42Å; L248-L252 WeakPolarHBondContact O-CB 3.42Å; I249-L252 WeakPolarHBondContact O-CB 3.37Å; I249-L252 PolarHBondContact O-N 2.84Å; I249-L252 VanDerWaalsContact O-N 3.16Å; S250-L252 VanDerWaalsContact C-N 3.25Å; S250-L252 PolarHBondContact O-N 2.85Å; L252-E254 VanDerWaalsContact C-N 3.25Å; L252-E254 PolarHBondContact O-N 2.86Å; L252-R255 WeakPolarHBondContact O-CB 3.33Å; L252-R255 PolarHBondContact O-N 2.85Å; L252-Y256 HydrophobicContact CD1-CE2 4.19Å; L252-Y256 HydrophobicContact CG-CE2 4.02Å; L252-Y256 WeakPolarHBondContact O-CD2 3.3Å |
| 253 | A | 86.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.7 | -36.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I227 L231 I249 S250 R255 Y256 | I227-A253 HydrophobicContact CG2-CB 3.75Å; L231-A253 HydrophobicContact CD1-CB 4.09Å; I249-A253 WeakPolarHBondContact O-CB 3.5Å; I249-A253 PolarHBondContact O-N 2.9Å; S250-A253 WeakPolarHBondContact O-CB 3.16Å; S250-A253 PolarHBondContact O-N 3.19Å; A253-R255 PolarHBondContact O-N 3.32Å; A253-R255 VanDerWaalsContact O-N 3.11Å; A253-Y256 PolarHBondContact O-N 3.44Å |
| 254 | E | 86 | Confident | 81.3 | Confident | 135 Ų | 135 | 57.6 Ų | 57.6 | 63% | 0.631 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.1 | 176.2 | -66.3 | -175.8 | 177.6 | 0 | 0 | 113.9 | S250 L252 Y256 R296 | S250-E254 PolarHBondContact O-N 3.42Å; L252-E254 VanDerWaalsContact C-N 3.25Å; L252-E254 PolarHBondContact O-N 2.86Å; E254-Y256 VanDerWaalsContact C-N 3.32Å; E254-R296 WeakPolarHBondContact O-CD 3.4Å |
| 255 | R | 89.9 | Confident | 83.1 | Confident | 145 Ų | 145 | 56.3 Ų | 56.3 | 55% | 0.547 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.1 | 178.3 | -55.4 | -172.3 | -175.6 | -171.3 | -0.8 | 113.4 | L252 A253 R296 | L252-R255 WeakPolarHBondContact O-CB 3.33Å; L252-R255 PolarHBondContact O-N 2.85Å; A253-R255 PolarHBondContact O-N 3.32Å; A253-R255 VanDerWaalsContact O-N 3.11Å; R255-R296 VanDerWaalsContact O-CB 3.27Å; R255-R296 WeakPolarHBondContact O-CB 3.21Å; R255-R296 PolarHBondContact O-N 3.1Å |
| 256 | Y | 93 | Very high | 85 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 162.5 | -177.7 | -64.4 | -86.4 | 0 | 0 | 0 | 111.8 | P198 D200 V201 L231 L252 A253 E254 L293 T294 | P198-Y256 HydrophobicContact CG-CE1 4.05Å; D200-Y256 WeakPolarHBondContact OD2-CE1 3.44Å; D200-Y256 PolarHBondContact OD2-OH 3.16Å; V201-Y256 HydrophobicContact CG2-CE1 3.66Å; V201-Y256 HydrophobicContact CG2-CE2 4.4Å; V201-Y256 WeakPolarHBondContact CG2-OH 3.06Å; L231-Y256 HydrophobicContact CD1-CD2 4.04Å; L231-Y256 HydrophobicContact CD2-CD2 4.24Å; L231-Y256 HydrophobicContact CD2-CE2 4.16Å; L252-Y256 HydrophobicContact CD1-CE2 4.19Å; L252-Y256 HydrophobicContact CG-CE2 4.02Å; L252-Y256 WeakPolarHBondContact O-CD2 3.3Å; A253-Y256 PolarHBondContact O-N 3.44Å; E254-Y256 VanDerWaalsContact C-N 3.32Å; Y256-L293 HydrophobicContact CD1-CD1 4.44Å; Y256-L293 HydrophobicContact CD1-CD2 4.12Å; Y256-L293 HydrophobicContact CD1-CG 3.89Å; Y256-L293 HydrophobicContact CG-CD1 4.22Å; Y256-L293 HydrophobicContact CG-CD2 4.29Å; Y256-L293 HydrophobicContact CG-CG 4.13Å; Y256-T294 CarbonylContact C-O 3.18Å; Y256-T294 WeakPolarHBondContact CA-O 3.2Å; Y256-T294 WeakPolarHBondContact CB-O 3.48Å; Y256-T294 WeakPolarHBondContact CD1-O 3.41Å |
| 257 | A | 93.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 156.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y266 L268 T294 L299 | A257-Y266 HydrophobicContact CB-CD1 4.41Å; A257-L268 HydrophobicContact CB-CD2 4Å; A257-T294 HydrophobicContact CB-CG2 4.1Å; A257-T294 PolarHBondContact N-O 3.24Å; A257-T294 WeakPolarHBondContact O-CG2 3.33Å; A257-T294 PolarHBondContact O-N 3.32Å; A257-L299 HydrophobicContact CB-CD1 4.17Å |
| 258 | L | 95.1 | Very high | 88 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 135.2 | 169.3 | -65.3 | 170.3 | 0 | 0 | 0 | 108.9 | V195 P223 V226 I227 Y266 F267 M291 I292 L293 | V195-L258 HydrophobicContact CG1-CD2 3.97Å; P223-L258 HydrophobicContact CB-CD1 4.33Å; V226-L258 HydrophobicContact CB-CD1 3.88Å; V226-L258 HydrophobicContact CG1-CD1 3.79Å; I227-L258 HydrophobicContact CD1-CG 4.12Å; I227-L258 HydrophobicContact CG1-CD1 4.03Å; I227-L258 HydrophobicContact CG1-CD2 4.1Å; I227-L258 HydrophobicContact CG1-CG 3.66Å; L258-Y266 CarbonylContact O-C 3.54Å; L258-Y266 WeakPolarHBondContact O-CA 3.33Å; L258-Y266 WeakPolarHBondContact O-CB 3.46Å; L258-F267 HydrophobicContact CB-CB 4.28Å; L258-F267 HydrophobicContact CB-CD2 3.55Å; L258-F267 HydrophobicContact CB-CE2 4.37Å; L258-F267 HydrophobicContact CB-CG 4.33Å; L258-F267 WeakPolarHBondContact O-CD2 3.21Å; L258-F267 PolarHBondContact O-N 3.02Å; L258-M291 HydrophobicContact CD1-SD 4.02Å; L258-M291 HydrophobicContact CD2-CB 4.46Å; L258-I292 CarbonylContact C-O 3.49Å; L258-I292 WeakPolarHBondContact CA-O 3.14Å; L258-L293 HydrophobicContact CD2-CD1 3.98Å |
| 259 | K | 94.1 | Very high | 89.1 | Confident | 14 Ų | 14 | 40.6 Ų | 40.6 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 142.5 | 177.3 | -176.5 | -165.1 | 173.5 | -166.2 | 0 | 109.7 | R263 E264 L265 Y266 I292 T294 E812 | K259-R263 WeakPolarHBondContact CE-O 3.41Å; K259-E264 WeakPolarHBondContact CE-OE1 3.46Å; K259-E264 IonicContact NZ-OE1 2.87Å; K259-E264 PolarHBondContact NZ-OE1 2.99Å; K259-L265 CarbonylContact C-O 3.59Å; K259-L265 WeakPolarHBondContact CA-O 3.35Å; K259-Y266 HydrophobicContact CB-CD1 3.64Å; K259-Y266 HydrophobicContact CB-CE1 3.55Å; K259-Y266 HydrophobicContact CB-CG 4.47Å; K259-Y266 HydrophobicContact CD-CE1 3.96Å; K259-Y266 HydrophobicContact CG-CD1 3.96Å; K259-Y266 HydrophobicContact CG-CE1 3.56Å; K259-Y266 HydrophobicContact CG-CE2 4.43Å; K259-I292 HydrophobicContact CB-CB 4.23Å; K259-I292 HydrophobicContact CD-CD1 4.48Å; K259-I292 PolarHBondContact N-O 3.3Å; K259-I292 PolarHBondContact O-N 2.84Å; K259-T294 HydrophobicContact CB-CG2 4.27Å; K259-E812 IonicContact NZ-OE1 2.74Å; K259-E812 PolarHBondContact NZ-OE1 2.84Å; K259-E812 IonicContact NZ-OE2 2.7Å |
| 260 | R | 92.3 | Very high | 89.7 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 19% | 0.192 | 21% | 0.21 | C | C | . | . | trans | -73.2 | 129.5 | 169.1 | 176.8 | 174.7 | 173.2 | -179.6 | 2 | 110.1 | D170 G262 R263 L265 F267 Y278 | D170-R260 WeakPolarHBondContact OD2-CD 3.47Å; D170-R260 IonicContact OD2-NH1 3.22Å; R260-G262 PolarHBondContact O-N 3.39Å; R260-R263 PolarHBondContact O-N 3.46Å; R260-L265 HydrophobicContact CB-CB 4.4Å; R260-L265 PolarHBondContact N-O 2.74Å; R260-F267 HydrophobicContact CB-CE2 4.43Å; R260-F267 HydrophobicContact CB-CZ 4.36Å; R260-Y278 HydrophobicContact CG-CD1 4.19Å; R260-Y278 HydrophobicContact CG-CD2 4.32Å; R260-Y278 HydrophobicContact CG-CE1 4.14Å; R260-Y278 HydrophobicContact CG-CE2 4.3Å; R260-Y278 HydrophobicContact CG-CG 4.26Å; R260-Y278 VanDerWaalsContact CZ-CD2 3.48Å; R260-Y278 VanDerWaalsContact NE-CD2 3.29Å | ||
| 261 | P | 90 | Very high | 90.5 | Very high | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.071 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 138.1 | 177.3 | -23.3 | 33 | 0 | 0 | 0 | 112.9 | R263 N290 I292 L817 | P261-R263 PolarHBondContact O-N 3.23Å; P261-N290 WeakPolarHBondContact CD-O 3.42Å; P261-N290 HydrophobicContact CG-CB 3.74Å; P261-N290 VanDerWaalsContact CG-O 3.3Å; P261-N290 WeakPolarHBondContact CG-O 3.34Å; P261-I292 HydrophobicContact CB-CD1 4.32Å; P261-I292 HydrophobicContact CG-CG1 4.33Å; P261-L817 HydrophobicContact CB-CD2 4.19Å; P261-L817 HydrophobicContact CG-CD2 4.36Å |
| 262 | G | 87 | Confident | 91.2 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -4.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R260 L784 E812 | R260-G262 PolarHBondContact O-N 3.39Å; G262-L784 WeakPolarHBondContact O-CD1 3.21Å; G262-E812 VanDerWaalsContact CA-OE1 3.25Å; G262-E812 WeakPolarHBondContact CA-OE1 3.45Å; G262-E812 PolarHBondContact N-OE1 2.86Å |
| 263 | R | 90.9 | Very high | 91.6 | Very high | 66 Ų | 66 | 43.1 Ų | 43.1 | 25% | 0.249 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -136.1 | 144.4 | -178.1 | -69.4 | -178.6 | 173.2 | -106.2 | -3.1 | 112.5 | K259 R260 P261 L265 D781 T783 | K259-R263 WeakPolarHBondContact CE-O 3.41Å; R260-R263 PolarHBondContact O-N 3.46Å; P261-R263 PolarHBondContact O-N 3.23Å; R263-L265 HydrophobicContact CB-CB 4.44Å; R263-L265 HydrophobicContact CB-CD1 4.47Å; R263-L265 HydrophobicContact CB-CG 4.38Å; R263-L265 PolarHBondContact O-N 3.13Å; R263-D781 IonicContact CZ-OD2 2.74Å; R263-D781 IonicContact NH1-OD1 3.03Å; R263-D781 IonicContact NH1-OD2 3.68Å; R263-D781 PolarHBondContact NH1-OD2 3.13Å; R263-D781 IonicContact NH2-OD2 3.48Å; R263-D781 PolarHBondContact NH2-OD2 3.05Å; R263-T783 CarbonylContact C-O 3.57Å; R263-T783 WeakPolarHBondContact CA-O 3.37Å; R263-T783 WeakPolarHBondContact CB-O 3.18Å; R263-T783 PolarHBondContact NH1-OG1 2.75Å |
| 264 | E | 91.3 | Very high | 91.7 | Very high | 50 Ų | 50 | 43.2 Ų | 43.2 | 23% | 0.234 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -75.8 | 48.3 | 170.7 | -64.4 | -55.6 | 128.1 | 0 | 0 | 112.1 | K259 Y266 T783 | K259-E264 WeakPolarHBondContact CE-OE1 3.46Å; K259-E264 IonicContact NZ-OE1 2.87Å; K259-E264 PolarHBondContact NZ-OE1 2.99Å; E264-Y266 VanDerWaalsContact C-CE2 3.5Å; E264-Y266 HydrophobicContact CB-CE2 4.42Å; E264-Y266 PolarHBondContact OE2-OH 3.17Å; E264-T783 PolarHBondContact N-O 3.47Å |
| 265 | L | 93.5 | Very high | 91.9 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 9% | 0.094 | 17% | 0.172 | C | C | . | . | trans | -119.2 | 140.5 | 175.4 | -68.1 | 176.3 | 0 | 0 | 0 | 110.3 | Y168 D170 K259 R260 R263 T783 | Y168-L265 CarbonylContact O-C 3.54Å; Y168-L265 WeakPolarHBondContact O-CA 3.35Å; D170-L265 HydrophobicContact CB-CB 4.11Å; K259-L265 CarbonylContact C-O 3.59Å; K259-L265 WeakPolarHBondContact CA-O 3.35Å; R260-L265 HydrophobicContact CB-CB 4.4Å; R260-L265 PolarHBondContact N-O 2.74Å; R263-L265 HydrophobicContact CB-CB 4.44Å; R263-L265 HydrophobicContact CB-CD1 4.47Å; R263-L265 HydrophobicContact CB-CG 4.38Å; R263-L265 PolarHBondContact O-N 3.13Å; L265-T783 HydrophobicContact CD1-CG2 4.4Å; L265-T783 HydrophobicContact CD2-CG2 3.84Å; L265-T783 HydrophobicContact CG-CG2 4.09Å | ||
| 266 | Y | 94.5 | Very high | 92 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -134.1 | 148.5 | -167.6 | -59.6 | -99.1 | 0 | 0 | 0 | 110.8 | Y168 C169 D170 A257 L258 K259 E264 L268 T294 L299 | Y168-Y266 HydrophobicContact CD1-CE2 4.38Å; Y168-Y266 HydrophobicContact CG-CD2 4.42Å; Y168-Y266 PolarHBondContact O-N 3.35Å; C169-Y266 CarbonylContact C-O 3.56Å; C169-Y266 VanDerWaalsContact CA-O 3.29Å; C169-Y266 WeakPolarHBondContact CA-O 3.39Å; D170-Y266 PolarHBondContact N-O 3.21Å; A257-Y266 HydrophobicContact CB-CD1 4.41Å; L258-Y266 CarbonylContact O-C 3.54Å; L258-Y266 WeakPolarHBondContact O-CA 3.33Å; L258-Y266 WeakPolarHBondContact O-CB 3.46Å; K259-Y266 HydrophobicContact CB-CD1 3.64Å; K259-Y266 HydrophobicContact CB-CE1 3.55Å; K259-Y266 HydrophobicContact CB-CG 4.47Å; K259-Y266 HydrophobicContact CD-CE1 3.96Å; K259-Y266 HydrophobicContact CG-CD1 3.96Å; K259-Y266 HydrophobicContact CG-CE1 3.56Å; K259-Y266 HydrophobicContact CG-CE2 4.43Å; E264-Y266 VanDerWaalsContact C-CE2 3.5Å; E264-Y266 HydrophobicContact CB-CE2 4.42Å; E264-Y266 PolarHBondContact OE2-OH 3.17Å; Y266-L268 PolarHBondContact O-N 3.44Å; Y266-L268 VanDerWaalsContact O-N 3.15Å; Y266-T294 HydrophobicContact CD1-CG2 3.68Å; Y266-T294 HydrophobicContact CE1-CG2 3.36Å; Y266-L299 HydrophobicContact CD1-CD1 3.69Å; Y266-L299 HydrophobicContact CD1-CD2 4.17Å; Y266-L299 HydrophobicContact CD2-CD2 4.23Å; Y266-L299 HydrophobicContact CE1-CD1 3.82Å; Y266-L299 HydrophobicContact CE1-CD2 3.53Å; Y266-L299 HydrophobicContact CE1-CG 4.2Å; Y266-L299 HydrophobicContact CE2-CD2 3.6Å; Y266-L299 HydrophobicContact CG-CD1 4.07Å; Y266-L299 HydrophobicContact CG-CD2 4.49Å; Y266-L299 WeakPolarHBondContact OH-CD2 3.34Å |
| 267 | F | 94.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | trans | -89 | 80.2 | 178.7 | -53.2 | -86.6 | 0 | 0 | 0 | 109.7 | D170 P223 L258 R260 Y276 Y278 I279 M291 | D170-F267 HydrophobicContact CB-CE1 4.47Å; P223-F267 HydrophobicContact CB-CB 3.95Å; P223-F267 HydrophobicContact CG-CB 3.77Å; L258-F267 HydrophobicContact CB-CB 4.28Å; L258-F267 HydrophobicContact CB-CD2 3.55Å; L258-F267 HydrophobicContact CB-CE2 4.37Å; L258-F267 HydrophobicContact CB-CG 4.33Å; L258-F267 WeakPolarHBondContact O-CD2 3.21Å; L258-F267 PolarHBondContact O-N 3.02Å; R260-F267 HydrophobicContact CB-CE2 4.43Å; R260-F267 HydrophobicContact CB-CZ 4.36Å; F267-Y276 WeakPolarHBondContact CA-OH 3.49Å; F267-Y276 HydrophobicContact CB-CE1 4.34Å; F267-Y276 HydrophobicContact CB-CE2 4.26Å; F267-Y276 AromaticContact CD1-CD1 3.58Å; F267-Y276 HydrophobicContact CD1-CD1 3.58Å; F267-Y276 AromaticContact CD1-CD2 3.9Å; F267-Y276 HydrophobicContact CD1-CD2 3.9Å; F267-Y276 AromaticContact CD1-CE1 3.72Å; F267-Y276 HydrophobicContact CD1-CE1 3.72Å; F267-Y276 HydrophobicContact CD1-CE2 4.02Å; F267-Y276 AromaticContact CD1-CG 3.66Å; F267-Y276 HydrophobicContact CD1-CG 3.66Å; F267-Y276 AromaticContact CD1-CZ 3.93Å; F267-Y276 HydrophobicContact CE1-CD1 4.04Å; F267-Y276 HydrophobicContact CE1-CG 4.05Å; F267-Y276 HydrophobicContact CG-CE1 4.47Å; F267-Y278 HydrophobicContact CE1-CD1 4.2Å; F267-Y278 AromaticContact CZ-CD1 3.72Å; F267-Y278 HydrophobicContact CZ-CD1 3.72Å; F267-Y278 HydrophobicContact CZ-CE1 4.18Å; F267-I279 HydrophobicContact CE1-CD1 3.92Å; F267-I279 HydrophobicContact CE1-CG1 3.92Å; F267-I279 HydrophobicContact CZ-CD1 4.03Å; F267-M291 HydrophobicContact CE2-CE 4.44Å; F267-M291 HydrophobicContact CE2-CG 4.36Å; F267-M291 HydrophobicContact CZ-CE 4.41Å | ||
| 268 | L | 92.6 | Very high | 91.5 | Very high | 26 Ų | 26 | 32.9 Ų | 32.9 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | trans | -99.6 | -14.3 | -169 | -58.8 | 176.5 | 0 | 0 | 0 | 115.2 | L164 C169 A257 Y266 Y276 | L164-L268 HydrophobicContact CB-CD1 4.15Å; C169-L268 HydrophobicContact CB-CB 4.28Å; C169-L268 HydrophobicContact CB-CD1 4.36Å; A257-L268 HydrophobicContact CB-CD2 4Å; Y266-L268 PolarHBondContact O-N 3.44Å; Y266-L268 VanDerWaalsContact O-N 3.15Å; L268-Y276 PolarHBondContact N-OH 2.86Å | ||
| 269 | R | 90.4 | Very high | 91.3 | Very high | 109 Ų | 109 | 32.9 Ų | 32.9 | 41% | 0.411 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -88.7 | 144.2 | -179.6 | -70.2 | 174.9 | -172.4 | -176.7 | 5.8 | 109.8 | V271 Y276 | R269-V271 HydrophobicContact CB-CG1 4.26Å; R269-V271 HydrophobicContact CB-CG2 4.06Å; R269-V271 PolarHBondContact O-N 3.28Å; R269-Y276 PolarHBondContact N-OH 3.32Å; R269-Y276 PolarHBondContact O-OH 3.45Å |
| 270 | D | 89.3 | Confident | 90.9 | Very high | 111 Ų | 111 | 35 Ų | 35 | 59% | 0.594 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -81.4 | 60.1 | 175.8 | -170 | 48.4 | 0 | 0 | 0 | 111.5 | K222 | K222-D270 WeakPolarHBondContact CD-OD1 3.22Å; K222-D270 IonicContact NZ-OD1 3.23Å; K222-D270 PolarHBondContact NZ-OD1 3.03Å; K222-D270 IonicContact NZ-OD2 3.6Å; K222-D270 PolarHBondContact NZ-OD2 3.44Å |
| 271 | V | 92 | Very high | 90.3 | Very high | 40 Ų | 40 | 37 Ų | 37 | 24% | 0.242 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -118.9 | 166.1 | 178.2 | -62.3 | 0 | 0 | 0 | 0 | 110.4 | V172 P223 R269 D275 Y276 | V172-V271 HydrophobicContact CG1-CG2 3.97Å; V172-V271 HydrophobicContact CG2-CG2 4.02Å; P223-V271 WeakPolarHBondContact CD-O 3.31Å; R269-V271 HydrophobicContact CB-CG1 4.26Å; R269-V271 HydrophobicContact CB-CG2 4.06Å; R269-V271 PolarHBondContact O-N 3.28Å; V271-D275 HydrophobicContact CG2-CB 4.42Å; V271-Y276 HydrophobicContact CG2-CD2 4.05Å; V271-Y276 HydrophobicContact CG2-CE2 3.47Å; V271-Y276 VanDerWaalsContact CG2-CE2 3.47Å |
| 272 | E | 93.9 | Very high | 90 | Very high | 89 Ų | 89 | 36.7 Ų | 36.7 | 42% | 0.416 | 17% | 0.172 | S | C | . | . | trans | -64 | 144.6 | 175.3 | -59.8 | -173.4 | 177.8 | 0 | 0 | 110.3 | G274 D275 | E272-G274 PolarHBondContact O-N 2.95Å; E272-D275 WeakPolarHBondContact O-CB 3.42Å; E272-D275 PolarHBondContact O-N 3.26Å | ||
| 273 | L | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -56.7 | -36.3 | 176.7 | -74.5 | 170.2 | 0 | 0 | 0 | 111.5 | L191 L193 V217 S221 P223 V226 D275 Y276 I279 M291 | L191-L273 HydrophobicContact CD1-CB 4.21Å; L191-L273 HydrophobicContact CD1-CD1 4.46Å; L193-L273 HydrophobicContact CD1-CD1 3.98Å; V217-L273 HydrophobicContact CG2-CD1 4.11Å; S221-L273 VanDerWaalsContact O-CG 3.24Å; S221-L273 WeakPolarHBondContact O-CG 3.29Å; S221-L273 PolarHBondContact O-N 2.91Å; P223-L273 HydrophobicContact CG-CD2 4.25Å; V226-L273 HydrophobicContact CG2-CD1 3.62Å; L273-D275 PolarHBondContact O-N 2.81Å; L273-D275 VanDerWaalsContact O-N 3.14Å; L273-Y276 PolarHBondContact O-N 2.9Å; L273-Y276 VanDerWaalsContact O-N 3.11Å; L273-I279 HydrophobicContact CB-CG2 4.37Å; L273-I279 VanDerWaalsContact O-CB 3.26Å; L273-I279 WeakPolarHBondContact O-CB 3.27Å; L273-I279 WeakPolarHBondContact O-CG2 3.29Å; L273-M291 HydrophobicContact CD2-CE 4.11Å |
| 274 | G | 88.7 | Confident | 88.9 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -57.7 | -21.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L219 E272 R280 | L219-G274 PolarHBondContact O-N 3.1Å; E272-G274 PolarHBondContact O-N 2.95Å; G274-R280 WeakPolarHBondContact O-CD 3.37Å; G274-R280 WeakPolarHBondContact O-CG 3.42Å; G274-R280 PolarHBondContact O-NE 3.2Å; G274-R280 PolarHBondContact O-NH2 2.97Å; G274-R280 VanDerWaalsContact O-NH2 3.12Å |
| 275 | D | 90.3 | Very high | 87.9 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 16% | 0.16 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -83.7 | -14.6 | 179.6 | -64.8 | -27 | 0 | 0 | 0 | 112.9 | V172 Y173 V271 E272 L273 R280 | V172-D275 CarbonylContact C-O 3.55Å; V172-D275 WeakPolarHBondContact CA-O 3.36Å; V172-D275 HydrophobicContact CG1-CB 3.62Å; V172-D275 WeakPolarHBondContact CG1-O 3.45Å; Y173-D275 WeakPolarHBondContact CD2-O 3.48Å; Y173-D275 PolarHBondContact N-O 3.34Å; V271-D275 HydrophobicContact CG2-CB 4.42Å; E272-D275 WeakPolarHBondContact O-CB 3.42Å; E272-D275 PolarHBondContact O-N 3.26Å; L273-D275 PolarHBondContact O-N 2.81Å; L273-D275 VanDerWaalsContact O-N 3.14Å; D275-R280 IonicContact OD1-NH2 3.41Å; D275-R280 PolarHBondContact OD1-NH2 3.36Å |
| 276 | Y | 91.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -74 | 131.5 | 175.2 | -78.5 | -83.9 | 0 | 0 | 0 | 111.8 | D170 V172 P223 F267 L268 R269 V271 L273 Y278 I279 R280 | D170-Y276 HydrophobicContact CB-CD1 4.01Å; D170-Y276 HydrophobicContact CB-CE1 4.14Å; V172-Y276 HydrophobicContact CG2-CD1 3.63Å; V172-Y276 HydrophobicContact CG2-CD2 4.48Å; V172-Y276 HydrophobicContact CG2-CE1 3.46Å; V172-Y276 VanDerWaalsContact CG2-CE1 3.46Å; V172-Y276 HydrophobicContact CG2-CE2 4.36Å; V172-Y276 HydrophobicContact CG2-CG 4.16Å; P223-Y276 HydrophobicContact CG-CE2 3.89Å; F267-Y276 WeakPolarHBondContact CA-OH 3.49Å; F267-Y276 HydrophobicContact CB-CE1 4.34Å; F267-Y276 HydrophobicContact CB-CE2 4.26Å; F267-Y276 AromaticContact CD1-CD1 3.58Å; F267-Y276 HydrophobicContact CD1-CD1 3.58Å; F267-Y276 AromaticContact CD1-CD2 3.9Å; F267-Y276 HydrophobicContact CD1-CD2 3.9Å; F267-Y276 AromaticContact CD1-CE1 3.72Å; F267-Y276 HydrophobicContact CD1-CE1 3.72Å; F267-Y276 HydrophobicContact CD1-CE2 4.02Å; F267-Y276 AromaticContact CD1-CG 3.66Å; F267-Y276 HydrophobicContact CD1-CG 3.66Å; F267-Y276 AromaticContact CD1-CZ 3.93Å; F267-Y276 HydrophobicContact CE1-CD1 4.04Å; F267-Y276 HydrophobicContact CE1-CG 4.05Å; F267-Y276 HydrophobicContact CG-CE1 4.47Å; L268-Y276 PolarHBondContact N-OH 2.86Å; R269-Y276 PolarHBondContact N-OH 3.32Å; R269-Y276 PolarHBondContact O-OH 3.45Å; V271-Y276 HydrophobicContact CG2-CD2 4.05Å; V271-Y276 HydrophobicContact CG2-CE2 3.47Å; V271-Y276 VanDerWaalsContact CG2-CE2 3.47Å; L273-Y276 PolarHBondContact O-N 2.9Å; L273-Y276 VanDerWaalsContact O-N 3.11Å; Y276-Y278 PolarHBondContact O-N 2.86Å; Y276-I279 PolarHBondContact O-N 2.97Å; Y276-I279 VanDerWaalsContact O-N 3.14Å; Y276-R280 PolarHBondContact O-N 3.5Å; Y276-R280 VanDerWaalsContact O-N 3.11Å |
| 277 | V | 87.5 | Confident | 85.6 | Confident | 31 Ų | 31 | 51 Ų | 51 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -47.9 | -176.8 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | S171 Y173 I279 R280 Q281 | S171-V277 PolarHBondContact O-N 2.83Å; Y173-V277 HydrophobicContact CD1-CG2 4.36Å; Y173-V277 HydrophobicContact CD2-CG2 3.87Å; Y173-V277 HydrophobicContact CE1-CG2 4.27Å; Y173-V277 HydrophobicContact CE2-CB 4.09Å; Y173-V277 HydrophobicContact CE2-CG1 4.33Å; Y173-V277 HydrophobicContact CE2-CG2 3.75Å; Y173-V277 HydrophobicContact CG-CG2 4.18Å; V277-I279 VanDerWaalsContact C-N 3.29Å; V277-I279 PolarHBondContact O-N 3.15Å; V277-R280 PolarHBondContact O-N 2.96Å; V277-Q281 HydrophobicContact CG1-CG 4.41Å; V277-Q281 WeakPolarHBondContact O-CG 3.41Å; V277-Q281 PolarHBondContact O-N 3.16Å |
| 278 | Y | 89.8 | Confident | 85.3 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.3 | -41.3 | 176.8 | 168.6 | -109.8 | 0 | 0 | 0 | 112.3 | R260 F267 Y276 Q281 A282 I289 N290 | R260-Y278 HydrophobicContact CG-CD1 4.19Å; R260-Y278 HydrophobicContact CG-CD2 4.32Å; R260-Y278 HydrophobicContact CG-CE1 4.14Å; R260-Y278 HydrophobicContact CG-CE2 4.3Å; R260-Y278 HydrophobicContact CG-CG 4.26Å; R260-Y278 VanDerWaalsContact CZ-CD2 3.48Å; R260-Y278 VanDerWaalsContact NE-CD2 3.29Å; F267-Y278 HydrophobicContact CE1-CD1 4.2Å; F267-Y278 AromaticContact CZ-CD1 3.72Å; F267-Y278 HydrophobicContact CZ-CD1 3.72Å; F267-Y278 HydrophobicContact CZ-CE1 4.18Å; Y276-Y278 PolarHBondContact O-N 2.86Å; Y278-Q281 PolarHBondContact O-N 3.05Å; Y278-A282 HydrophobicContact CD2-CB 4.47Å; Y278-A282 HydrophobicContact CE2-CB 4.09Å; Y278-A282 WeakPolarHBondContact O-CB 3.2Å; Y278-A282 PolarHBondContact O-N 3.23Å; Y278-I289 HydrophobicContact CE1-CG2 3.82Å; Y278-N290 PolarHBondContact OH-O 3.03Å |
| 279 | I | 90.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.6 | -43.1 | -177.6 | -59 | -58.9 | 0 | 0 | 0 | 111.2 | L191 F267 L273 Y276 V277 A283 I289 M291 | L191-I279 HydrophobicContact CD1-CG2 3.39Å; L191-I279 HydrophobicContact CD2-CG2 4.43Å; F267-I279 HydrophobicContact CE1-CD1 3.92Å; F267-I279 HydrophobicContact CE1-CG1 3.92Å; F267-I279 HydrophobicContact CZ-CD1 4.03Å; L273-I279 HydrophobicContact CB-CG2 4.37Å; L273-I279 VanDerWaalsContact O-CB 3.26Å; L273-I279 WeakPolarHBondContact O-CB 3.27Å; L273-I279 WeakPolarHBondContact O-CG2 3.29Å; Y276-I279 PolarHBondContact O-N 2.97Å; Y276-I279 VanDerWaalsContact O-N 3.14Å; V277-I279 VanDerWaalsContact C-N 3.29Å; V277-I279 PolarHBondContact O-N 3.15Å; I279-A283 WeakPolarHBondContact O-CB 3.36Å; I279-A283 PolarHBondContact O-N 3.4Å; I279-I289 HydrophobicContact CD1-CG2 3.98Å; I279-I289 HydrophobicContact CG2-CD1 4.14Å; I279-M291 HydrophobicContact CD1-CE 3.27Å; I279-M291 HydrophobicContact CG1-CE 4.41Å |
| 280 | R | 85.1 | Confident | 85.4 | Confident | 60 Ų | 60 | 48.7 Ų | 48.7 | 23% | 0.226 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 175 | -65.6 | -156.3 | -174.5 | -121 | -11.5 | 112 | Y173 I187 G274 D275 Y276 V277 A284 | Y173-R280 HydrophobicContact CD2-CG 4.33Å; Y173-R280 HydrophobicContact CE2-CB 4.07Å; Y173-R280 VanDerWaalsContact CE2-CD 3.45Å; Y173-R280 HydrophobicContact CE2-CG 3.88Å; I187-R280 HydrophobicContact CD1-CB 4.41Å; I187-R280 HydrophobicContact CD1-CG 4.18Å; G274-R280 WeakPolarHBondContact O-CD 3.37Å; G274-R280 WeakPolarHBondContact O-CG 3.42Å; G274-R280 PolarHBondContact O-NE 3.2Å; G274-R280 PolarHBondContact O-NH2 2.97Å; G274-R280 VanDerWaalsContact O-NH2 3.12Å; D275-R280 IonicContact OD1-NH2 3.41Å; D275-R280 PolarHBondContact OD1-NH2 3.36Å; Y276-R280 PolarHBondContact O-N 3.5Å; Y276-R280 VanDerWaalsContact O-N 3.11Å; V277-R280 PolarHBondContact O-N 2.96Å; R280-A284 PolarHBondContact O-N 2.88Å |
| 281 | Q | 79.9 | Confident | 85.6 | Confident | 93 Ų | 93 | 43.4 Ų | 43.4 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.1 | -46.4 | -179.9 | -71.6 | 175.6 | -13.1 | 0 | 0 | 111.7 | V277 Y278 A284 Q285 | V277-Q281 HydrophobicContact CG1-CG 4.41Å; V277-Q281 WeakPolarHBondContact O-CG 3.41Å; V277-Q281 PolarHBondContact O-N 3.16Å; Y278-Q281 PolarHBondContact O-N 3.05Å; Q281-A284 PolarHBondContact O-N 3.45Å; Q281-Q285 PolarHBondContact O-N 3.1Å |
| 282 | A | 84.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y278 A284 Q285 E286 I289 | Y278-A282 HydrophobicContact CD2-CB 4.47Å; Y278-A282 HydrophobicContact CE2-CB 4.09Å; Y278-A282 WeakPolarHBondContact O-CB 3.2Å; Y278-A282 PolarHBondContact O-N 3.23Å; A282-A284 PolarHBondContact O-N 3.08Å; A282-Q285 PolarHBondContact O-N 3.32Å; A282-Q285 VanDerWaalsContact O-N 3.11Å; A282-E286 WeakPolarHBondContact O-CA 3.43Å; A282-E286 WeakPolarHBondContact O-CB 3.45Å; A282-E286 PolarHBondContact O-N 2.83Å; A282-I289 HydrophobicContact CB-CB 4.49Å; A282-I289 HydrophobicContact CB-CD1 4.07Å; A282-I289 HydrophobicContact CB-CG1 3.87Å; A282-I289 HydrophobicContact CB-CG2 4.03Å |
| 283 | A | 83.6 | Confident | 85.6 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -23.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I187 L191 I279 I289 | I187-A283 HydrophobicContact CG2-CB 4.35Å; L191-A283 HydrophobicContact CD2-CB 3.7Å; I279-A283 WeakPolarHBondContact O-CB 3.36Å; I279-A283 PolarHBondContact O-N 3.4Å; A283-I289 HydrophobicContact CB-CD1 4.09Å |
| 284 | A | 71.1 | Confident | 85.6 | Confident | 73 Ų | 73 | 39.9 Ų | 39.9 | 60% | 0.603 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -85.4 | -19.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R280 Q281 A282 | R280-A284 PolarHBondContact O-N 2.88Å; Q281-A284 PolarHBondContact O-N 3.45Å; A282-A284 PolarHBondContact O-N 3.08Å |
| 285 | Q | 69 | Low | 85.6 | Confident | 164 Ų | 164 | 41.8 Ų | 41.8 | 77% | 0.766 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -115.6 | -31.6 | -172.9 | -65.3 | 179.2 | 1 | 0 | 0 | 113.2 | Q281 A282 | Q281-Q285 PolarHBondContact O-N 3.1Å; A282-Q285 PolarHBondContact O-N 3.32Å; A282-Q285 VanDerWaalsContact O-N 3.11Å |
| 286 | E | 67.9 | Low | 85.6 | Confident | 91 Ų | 91 | 43.3 Ų | 43.3 | 43% | 0.425 | 24% | 0.237 | S | C | . | . | trans | -118.3 | 141.5 | -170.1 | -60.9 | -177.1 | 169.2 | 0 | 0 | 110.9 | A282 V288 | A282-E286 WeakPolarHBondContact O-CA 3.43Å; A282-E286 WeakPolarHBondContact O-CB 3.45Å; A282-E286 PolarHBondContact O-N 2.83Å; E286-V288 VanDerWaalsContact C-N 3.33Å | ||
| 287 | S | 72.7 | Confident | 85.5 | Confident | 106 Ų | 106 | 49.9 Ų | 49.9 | 74% | 0.741 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -77.6 | -20 | 171.5 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | L192 | L192-S287 WeakPolarHBondContact CB-O 3.44Š|
| 288 | V | 89.4 | Confident | 85.3 | Confident | 45 Ų | 45 | 51.1 Ų | 51.1 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -138.5 | 120.5 | -179.1 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | L192 C194 E286 | L192-V288 HydrophobicContact CD2-CG2 3.7Å; L192-V288 HydrophobicContact CG-CG2 4.12Å; L192-V288 CarbonylContact O-C 3.6Å; L192-V288 WeakPolarHBondContact O-CA 3.35Å; C194-V288 HydrophobicContact CB-CG1 3.6Å; E286-V288 VanDerWaalsContact C-N 3.33Å |
| 289 | I | 91.8 | Very high | 85.1 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 122.3 | 179.8 | -54 | 176.4 | 0 | 0 | 0 | 109.1 | L191 L192 L193 C194 Y278 I279 A282 A283 | L191-I289 HydrophobicContact CD1-CD1 4.43Å; L191-I289 HydrophobicContact CD2-CD1 3.96Å; L192-I289 PolarHBondContact O-N 2.97Å; L193-I289 CarbonylContact C-O 3.43Å; L193-I289 WeakPolarHBondContact CA-O 3.47Å; L193-I289 HydrophobicContact CD2-CB 3.81Å; L193-I289 HydrophobicContact CD2-CD1 4.24Å; L193-I289 HydrophobicContact CD2-CG1 4.46Å; L193-I289 HydrophobicContact CD2-CG2 4.28Å; C194-I289 PolarHBondContact N-O 3.3Å; Y278-I289 HydrophobicContact CE1-CG2 3.82Å; I279-I289 HydrophobicContact CD1-CG2 3.98Å; I279-I289 HydrophobicContact CG2-CD1 4.14Å; A282-I289 HydrophobicContact CB-CB 4.49Å; A282-I289 HydrophobicContact CB-CD1 4.07Å; A282-I289 HydrophobicContact CB-CG1 3.87Å; A282-I289 HydrophobicContact CB-CG2 4.03Å; A283-I289 HydrophobicContact CB-CD1 4.09Å |
| 290 | N | 92 | Very high | 84.9 | Confident | 44 Ų | 44 | 52 Ų | 52 | 24% | 0.235 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 140.1 | 179.6 | -71.1 | -80 | 0 | 0 | 0 | 111.9 | C194 W196 P261 Y278 L817 | C194-N290 WeakPolarHBondContact O-CA 3.37Å; W196-N290 PolarHBondContact NE1-OD1 3.23Å; P261-N290 WeakPolarHBondContact CD-O 3.42Å; P261-N290 HydrophobicContact CG-CB 3.74Å; P261-N290 VanDerWaalsContact CG-O 3.3Å; P261-N290 WeakPolarHBondContact CG-O 3.34Å; Y278-N290 PolarHBondContact OH-O 3.03Å; N290-L817 HydrophobicContact CB-CD2 4.02Å |
| 291 | M | 93.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 151.7 | 175.2 | -65.5 | 176.6 | 173.4 | 0 | 0 | 110 | L193 C194 V195 W196 L258 F267 L273 I279 | L193-M291 HydrophobicContact CD1-CE 3.98Å; L193-M291 HydrophobicContact CD1-SD 3.98Å; L193-M291 HydrophobicContact CD2-CE 3.82Å; L193-M291 HydrophobicContact CD2-SD 4.41Å; L193-M291 HydrophobicContact CG-CE 4.49Å; C194-M291 PolarHBondContact O-N 3.47Å; V195-M291 CarbonylContact C-O 3.54Å; V195-M291 WeakPolarHBondContact CA-O 3.36Å; V195-M291 HydrophobicContact CG2-CB 4.47Å; W196-M291 PolarHBondContact N-O 3.02Å; L258-M291 HydrophobicContact CD1-SD 4.02Å; L258-M291 HydrophobicContact CD2-CB 4.46Å; F267-M291 HydrophobicContact CE2-CE 4.44Å; F267-M291 HydrophobicContact CE2-CG 4.36Å; F267-M291 HydrophobicContact CZ-CE 4.41Å; L273-M291 HydrophobicContact CD2-CE 4.11Å; I279-M291 HydrophobicContact CD1-CE 3.27Å; I279-M291 HydrophobicContact CG1-CE 4.41Å |
| 292 | I | 93 | Very high | 84.9 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.6 | 176.2 | -56 | 167.8 | 0 | 0 | 0 | 108.7 | W196 L258 K259 P261 E812 L817 | W196-I292 HydrophobicContact CB-CG1 4.3Å; L258-I292 CarbonylContact C-O 3.49Å; L258-I292 WeakPolarHBondContact CA-O 3.14Å; K259-I292 HydrophobicContact CB-CB 4.23Å; K259-I292 HydrophobicContact CD-CD1 4.48Å; K259-I292 PolarHBondContact N-O 3.3Å; K259-I292 PolarHBondContact O-N 2.84Å; P261-I292 HydrophobicContact CB-CD1 4.32Å; P261-I292 HydrophobicContact CG-CG1 4.33Å; I292-E812 WeakPolarHBondContact CD1-OE2 3.33Å; I292-L817 HydrophobicContact CD1-CD1 3.78Å; I292-L817 HydrophobicContact CG1-CD1 3.7Å |
| 293 | L | 93.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 125.5 | 170 | -172.1 | 73.3 | 0 | 0 | 0 | 108.7 | V195 W196 L197 P198 V201 I227 T230 L231 Y256 L258 | V195-L293 HydrophobicContact CG1-CB 3.99Å; W196-L293 WeakPolarHBondContact O-CB 3.37Å; W196-L293 PolarHBondContact O-N 3.35Å; L197-L293 HydrophobicContact CD2-CD2 4.02Å; P198-L293 VanDerWaalsContact CD-O 3.26Å; P198-L293 WeakPolarHBondContact CD-O 3.3Å; P198-L293 WeakPolarHBondContact CG-O 3.35Å; V201-L293 HydrophobicContact CG2-CD2 4.27Å; I227-L293 HydrophobicContact CB-CD1 4.48Å; I227-L293 HydrophobicContact CG1-CD1 3.98Å; I227-L293 HydrophobicContact CG2-CD1 4.1Å; T230-L293 HydrophobicContact CG2-CD2 4.28Å; L231-L293 HydrophobicContact CD2-CD2 3.96Å; Y256-L293 HydrophobicContact CD1-CD1 4.44Å; Y256-L293 HydrophobicContact CD1-CD2 4.12Å; Y256-L293 HydrophobicContact CD1-CG 3.89Å; Y256-L293 HydrophobicContact CG-CD1 4.22Å; Y256-L293 HydrophobicContact CG-CD2 4.29Å; Y256-L293 HydrophobicContact CG-CG 4.13Å; L258-L293 HydrophobicContact CD2-CD1 3.98Å |
| 294 | T | 90.9 | Very high | 84.3 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 157.4 | -175.8 | -170 | 0 | 0 | 0 | 0 | 111.9 | Y256 A257 K259 Y266 R296 | Y256-T294 CarbonylContact C-O 3.18Å; Y256-T294 WeakPolarHBondContact CA-O 3.2Å; Y256-T294 WeakPolarHBondContact CB-O 3.48Å; Y256-T294 WeakPolarHBondContact CD1-O 3.41Å; A257-T294 HydrophobicContact CB-CG2 4.1Å; A257-T294 PolarHBondContact N-O 3.24Å; A257-T294 WeakPolarHBondContact O-CG2 3.33Å; A257-T294 PolarHBondContact O-N 3.32Å; K259-T294 HydrophobicContact CB-CG2 4.27Å; Y266-T294 HydrophobicContact CD1-CG2 3.68Å; Y266-T294 HydrophobicContact CE1-CG2 3.36Å; T294-R296 PolarHBondContact O-N 3.11Å |
| 295 | S | 89.8 | Confident | 84.4 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 123.6 | 175.2 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | K297 A298 | S295-K297 PolarHBondContact O-N 3.02Å; S295-K297 PolarHBondContact OG-N 3.33Å; S295-A298 PolarHBondContact O-N 2.95Å |
| 296 | R | 90.4 | Very high | 84.6 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.8 | -29.6 | 173.7 | -170.2 | -177.8 | -175.4 | 91.5 | 2.5 | 111.6 | N161 E254 R255 T294 A298 L299 V300 | N161-R296 PolarHBondContact OD1-NH2 2.96Å; E254-R296 WeakPolarHBondContact O-CD 3.4Å; R255-R296 VanDerWaalsContact O-CB 3.27Å; R255-R296 WeakPolarHBondContact O-CB 3.21Å; R255-R296 PolarHBondContact O-N 3.1Å; T294-R296 PolarHBondContact O-N 3.11Å; R296-A298 PolarHBondContact O-N 3.35Å; R296-L299 WeakPolarHBondContact O-CB 3.4Å; R296-L299 PolarHBondContact O-N 2.97Å; R296-V300 PolarHBondContact O-N 3.26Å; R296-V300 VanDerWaalsContact O-N 3.17Å |
| 297 | K | 88.7 | Confident | 85.3 | Confident | 138 Ų | 138 | 50.8 Ų | 50.8 | 60% | 0.6 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.6 | -41.2 | 178.8 | 177.5 | 172.3 | 177.1 | 166.2 | 0 | 112.1 | S295 L299 V300 D301 | S295-K297 PolarHBondContact O-N 3.02Å; S295-K297 PolarHBondContact OG-N 3.33Å; K297-L299 PolarHBondContact O-N 2.9Å; K297-V300 WeakPolarHBondContact O-CB 3.49Å; K297-V300 PolarHBondContact O-N 3.3Å; K297-V300 VanDerWaalsContact O-N 3.09Å; K297-D301 VanDerWaalsContact CE-OD2 3.24Å; K297-D301 WeakPolarHBondContact CE-OD2 3.34Å; K297-D301 WeakPolarHBondContact CG-OD2 3.43Å; K297-D301 PolarHBondContact O-N 3.34Å |
| 298 | A | 84.4 | Confident | 86.2 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.8 | -35.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S295 R296 S302 | S295-A298 PolarHBondContact O-N 2.95Å; R296-A298 PolarHBondContact O-N 3.35Å; A298-S302 PolarHBondContact O-N 3.29Å; A298-S302 VanDerWaalsContact O-N 3.1Å |
| 299 | L | 85.5 | Confident | 86.3 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.3 | -34.4 | 175.5 | -54 | 175.1 | 0 | 0 | 0 | 112.8 | L164 A257 Y266 R296 K297 S302 | L164-L299 HydrophobicContact CD2-CB 3.78Å; L164-L299 WeakPolarHBondContact CD2-O 3.42Å; A257-L299 HydrophobicContact CB-CD1 4.17Å; Y266-L299 HydrophobicContact CD1-CD1 3.69Å; Y266-L299 HydrophobicContact CD1-CD2 4.17Å; Y266-L299 HydrophobicContact CD2-CD2 4.23Å; Y266-L299 HydrophobicContact CE1-CD1 3.82Å; Y266-L299 HydrophobicContact CE1-CD2 3.53Å; Y266-L299 HydrophobicContact CE1-CG 4.2Å; Y266-L299 HydrophobicContact CE2-CD2 3.6Å; Y266-L299 HydrophobicContact CG-CD1 4.07Å; Y266-L299 HydrophobicContact CG-CD2 4.49Å; Y266-L299 WeakPolarHBondContact OH-CD2 3.34Å; R296-L299 WeakPolarHBondContact O-CB 3.4Å; R296-L299 PolarHBondContact O-N 2.97Å; K297-L299 PolarHBondContact O-N 2.9Å; L299-S302 PolarHBondContact O-OG 3.47Å |
| 300 | V | 86.6 | Confident | 86.3 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 21% | 0.212 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.8 | -49.4 | 175 | 166.5 | 0 | 0 | 0 | 0 | 110 | L160 L164 R296 K297 S302 L303 T304 | L160-V300 HydrophobicContact CD2-CB 4.22Å; L160-V300 HydrophobicContact CD2-CG1 3.59Å; L160-V300 HydrophobicContact CD2-CG2 3.83Å; L164-V300 HydrophobicContact CD1-CG2 4.12Å; R296-V300 PolarHBondContact O-N 3.26Å; R296-V300 VanDerWaalsContact O-N 3.17Å; K297-V300 WeakPolarHBondContact O-CB 3.49Å; K297-V300 PolarHBondContact O-N 3.3Å; K297-V300 VanDerWaalsContact O-N 3.09Å; V300-S302 PolarHBondContact O-N 3.06Å; V300-L303 PolarHBondContact O-N 2.88Å; V300-T304 HydrophobicContact CG1-CG2 4.3Å; V300-T304 PolarHBondContact O-N 3.34Å; V300-T304 PolarHBondContact O-OG1 3Å; V300-T304 VanDerWaalsContact O-OG1 3.12Å |
| 301 | D | 84.7 | Confident | 86.3 | Confident | 77 Ų | 77 | 46.8 Ų | 46.8 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.7 | -31.3 | -177.5 | -68.3 | -17.3 | 0 | 0 | 0 | 111.7 | K297 L303 T304 G305 | K297-D301 VanDerWaalsContact CE-OD2 3.24Å; K297-D301 WeakPolarHBondContact CE-OD2 3.34Å; K297-D301 WeakPolarHBondContact CG-OD2 3.43Å; K297-D301 PolarHBondContact O-N 3.34Å; D301-L303 PolarHBondContact O-N 2.93Å; D301-T304 PolarHBondContact O-N 3.12Å; D301-G305 WeakPolarHBondContact O-CA 3.24Å; D301-G305 PolarHBondContact O-N 3.26Å |
| 302 | S | 80.1 | Confident | 86 | Confident | 42 Ų | 42 | 48 Ų | 48 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.1 | -26.3 | 174.8 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | Y168 A298 L299 V300 | Y168-S302 PolarHBondContact OH-OG 2.81Å; Y168-S302 VanDerWaalsContact OH-OG 3.13Å; A298-S302 PolarHBondContact O-N 3.29Å; A298-S302 VanDerWaalsContact O-N 3.1Å; L299-S302 PolarHBondContact O-OG 3.47Å; V300-S302 PolarHBondContact O-N 3.06Å |
| 303 | L | 77.8 | Confident | 85.8 | Confident | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -91.9 | -35.7 | 176.8 | -65.2 | 179.3 | 0 | 0 | 0 | 112.8 | L160 T163 L164 T167 Y168 V300 D301 | L160-L303 HydrophobicContact CD1-CB 4.29Å; L160-L303 HydrophobicContact CD1-CD1 4Å; T163-L303 HydrophobicContact CG2-CD1 3.86Å; L164-L303 HydrophobicContact CD2-CD1 3.51Å; L164-L303 HydrophobicContact CD2-CG 4.41Å; L164-L303 HydrophobicContact CG-CD1 3.84Å; T167-L303 HydrophobicContact CG2-CD2 4.47Å; Y168-L303 HydrophobicContact CE2-CD1 4.28Å; Y168-L303 HydrophobicContact CE2-CD2 3.86Å; Y168-L303 HydrophobicContact CE2-CG 3.98Å; V300-L303 PolarHBondContact O-N 2.88Å; D301-L303 PolarHBondContact O-N 2.93Å |
| 304 | T | 78.6 | Confident | 85.5 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 47% | 0.466 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -97.4 | -10.7 | -173.3 | 59.8 | 0 | 0 | 0 | 0 | 114.1 | L160 V300 D301 W306 | L160-T304 HydrophobicContact CD1-CG2 4.13Å; V300-T304 HydrophobicContact CG1-CG2 4.3Å; V300-T304 PolarHBondContact O-N 3.34Å; V300-T304 PolarHBondContact O-OG1 3Å; V300-T304 VanDerWaalsContact O-OG1 3.12Å; D301-T304 PolarHBondContact O-N 3.12Å; T304-W306 PolarHBondContact O-N 3.12Å |
| 305 | G | 72 | Confident | 85.2 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 61% | 0.608 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -68.8 | 0.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | D301 | D301-G305 WeakPolarHBondContact O-CA 3.24Å; D301-G305 PolarHBondContact O-N 3.26Å |
| 306 | W | 73.3 | Confident | 84.5 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | trans | -130.7 | 113.4 | -178.8 | -164.6 | -68.1 | 0 | 0 | 0 | 111.6 | V115 L118 T304 V727 L729 K730 | V115-W306 HydrophobicContact CG2-CZ2 4.13Å; L118-W306 HydrophobicContact CD1-CH2 4.09Å; T304-W306 PolarHBondContact O-N 3.12Å; W306-V727 HydrophobicContact CB-CG2 3.74Å; W306-V727 HydrophobicContact CE3-CB 4.46Å; W306-V727 HydrophobicContact CE3-CG2 4.29Å; W306-L729 HydrophobicContact CZ2-CD2 4.49Å; W306-K730 HydrophobicContact CH2-CG 4.48Å; W306-K730 HydrophobicContact CZ3-CD 3.98Å; W306-K730 HydrophobicContact CZ3-CG 4.05Å | ||
| 307 | T | 83.2 | Confident | 83.4 | Confident | 123 Ų | 123 | 61.2 Ų | 61.2 | 76% | 0.755 | 33% | 0.331 | S | S | * | . | trans | -80.5 | 134 | 174.7 | -57.1 | 0 | 0 | 0 | 0 | 110.4 | L309 | T307-L309 PolarHBondContact O-N 2.97Å; T307-L309 VanDerWaalsContact O-N 3.07Å | ||
| 308 | L | 90.3 | Very high | 81.2 | Confident | 41 Ų | 41 | 60 Ų | 60 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | trans | -66.7 | 107.3 | 178.2 | -180 | 65.7 | 0 | 0 | 0 | 110.7 | F146 C149 Q150 A153 V310 R723 | F146-L308 HydrophobicContact CE2-CD1 4.1Å; F146-L308 HydrophobicContact CE2-CG 4.42Å; F146-L308 HydrophobicContact CZ-CD1 4.35Å; F146-L308 HydrophobicContact CZ-CD2 4.25Å; F146-L308 HydrophobicContact CZ-CG 4.17Å; C149-L308 HydrophobicContact CB-CD1 4.45Å; C149-L308 HydrophobicContact CB-CD2 4.29Å; Q150-L308 HydrophobicContact CB-CD2 4.27Å; Q150-L308 HydrophobicContact CG-CD2 3.78Å; A153-L308 HydrophobicContact CB-CB 4.46Å; A153-L308 HydrophobicContact CB-CD2 4.03Å; L308-V310 PolarHBondContact O-N 2.92Å; L308-R723 WeakPolarHBondContact CD1-O 3.46Å | ||
| 309 | L | 91.7 | Very high | 79.3 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | trans | -73.1 | 122.7 | 177 | -176.8 | 69.2 | 0 | 0 | 0 | 111 | E111 E112 V115 T307 P311 | E111-L309 HydrophobicContact CG-CD2 4.24Å; E112-L309 VanDerWaalsContact CA-CD2 3.43Å; E112-L309 HydrophobicContact CB-CD2 3.86Å; E112-L309 HydrophobicContact CG-CD2 4.33Å; V115-L309 HydrophobicContact CB-CD2 4.44Å; V115-L309 HydrophobicContact CG2-CD2 4.18Å; T307-L309 PolarHBondContact O-N 2.97Å; T307-L309 VanDerWaalsContact O-N 3.07Å; L309-P311 WeakPolarHBondContact O-CD 3.07Å | ||
| 310 | V | 92.1 | Very high | 77.3 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 29% | 0.285 | 39% | 0.387 | S | S | . | . | trans | -76.3 | 115.2 | 173 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | F146 L308 V314 K315 | F146-V310 HydrophobicContact CE1-CG1 4.2Å; F146-V310 HydrophobicContact CE1-CG2 4.36Å; F146-V310 HydrophobicContact CZ-CB 4.49Å; F146-V310 HydrophobicContact CZ-CG2 4.4Å; L308-V310 PolarHBondContact O-N 2.92Å; V310-V314 HydrophobicContact CG1-CB 4.02Å; V310-V314 HydrophobicContact CG1-CG1 3.96Å; V310-K315 HydrophobicContact CG1-CG 4.17Å; V310-K315 WeakPolarHBondContact O-CE 3.33Å; V310-K315 PolarHBondContact O-NZ 3.39Å | ||
| 311 | P | 91.3 | Very high | 75.1 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 42% | 0.417 | C | S | . | . | trans | -76.7 | 160.1 | -174 | 31.4 | -34.3 | 0 | 0 | 0 | 112.2 | F146 L309 F313 V314 K315 | F146-P311 HydrophobicContact CD2-CG 4.14Å; F146-P311 VanDerWaalsContact CE2-CD 3.42Å; F146-P311 HydrophobicContact CE2-CG 4.02Å; F146-P311 HydrophobicContact CG-CG 4.49Å; F146-P311 HydrophobicContact CZ-CG 4.25Å; L309-P311 WeakPolarHBondContact O-CD 3.07Å; P311-F313 VanDerWaalsContact C-N 3.29Å; P311-F313 HydrophobicContact CB-CD1 3.69Å; P311-F313 HydrophobicContact CB-CE1 3.43Å; P311-F313 VanDerWaalsContact CB-CE1 3.43Å; P311-F313 HydrophobicContact CB-CZ 4.08Å; P311-F313 HydrophobicContact CG-CD1 3.78Å; P311-F313 HydrophobicContact CG-CD2 4.43Å; P311-F313 HydrophobicContact CG-CE1 3.21Å; P311-F313 HydrophobicContact CG-CE2 3.94Å; P311-F313 HydrophobicContact CG-CG 4.36Å; P311-F313 HydrophobicContact CG-CZ 3.3Å; P311-F313 PolarHBondContact O-N 3.35Å; P311-V314 HydrophobicContact CG-CG2 3.89Å; P311-V314 PolarHBondContact O-N 3.2Å; P311-V314 VanDerWaalsContact O-N 3.12Å; P311-K315 PolarHBondContact O-N 2.87Å | ||
| 312 | S | 88.5 | Confident | 72.9 | Confident | 26 Ų | 26 | 77 Ų | 77 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.1 | -34.1 | -176.8 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | E112 V314 K315 R316 | E112-S312 VanDerWaalsContact CD-N 3.32Å; E112-S312 WeakPolarHBondContact OE1-CB 3.25Å; E112-S312 PolarHBondContact OE1-N 2.97Å; E112-S312 PolarHBondContact OE1-OG 2.99Å; E112-S312 WeakPolarHBondContact OE2-CB 3.33Å; E112-S312 PolarHBondContact OE2-N 3.37Å; S312-V314 PolarHBondContact O-N 2.97Å; S312-K315 PolarHBondContact O-N 3.16Å; S312-K315 VanDerWaalsContact O-N 3.12Å; S312-R316 VanDerWaalsContact O-CG 3.31Å; S312-R316 WeakPolarHBondContact O-CG 3.46Å; S312-R316 PolarHBondContact O-N 3.25Å |
| 313 | F | 88.3 | Confident | 71.3 | Confident | 22 Ų | 22 | 86 Ų | 86 | 10% | 0.096 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.4 | -25.8 | 178.3 | 66.4 | -101.3 | 0 | 0 | 0 | 113.3 | R142 F146 P311 | R142-F313 HydrophobicContact CB-CD2 4.4Å; R142-F313 HydrophobicContact CB-CE2 4.03Å; F146-F313 HydrophobicContact CB-CE2 4.44Å; P311-F313 VanDerWaalsContact C-N 3.29Å; P311-F313 HydrophobicContact CB-CD1 3.69Å; P311-F313 HydrophobicContact CB-CE1 3.43Å; P311-F313 VanDerWaalsContact CB-CE1 3.43Å; P311-F313 HydrophobicContact CB-CZ 4.08Å; P311-F313 HydrophobicContact CG-CD1 3.78Å; P311-F313 HydrophobicContact CG-CD2 4.43Å; P311-F313 HydrophobicContact CG-CE1 3.21Å; P311-F313 HydrophobicContact CG-CE2 3.94Å; P311-F313 HydrophobicContact CG-CG 4.36Å; P311-F313 HydrophobicContact CG-CZ 3.3Å; P311-F313 PolarHBondContact O-N 3.35Å |
| 314 | V | 87.5 | Confident | 69.7 | Low | 31 Ų | 31 | 91.3 Ų | 91.3 | 19% | 0.188 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -78.5 | -45.3 | 171.3 | 179 | 0 | 0 | 0 | 0 | 109.8 | F146 V310 P311 S312 R316 Q317 | F146-V314 HydrophobicContact CB-CG2 4.42Å; F146-V314 HydrophobicContact CD1-CG2 3.62Å; F146-V314 HydrophobicContact CE1-CG2 4.15Å; F146-V314 HydrophobicContact CG-CG2 4.08Å; V310-V314 HydrophobicContact CG1-CB 4.02Å; V310-V314 HydrophobicContact CG1-CG1 3.96Å; P311-V314 HydrophobicContact CG-CG2 3.89Å; P311-V314 PolarHBondContact O-N 3.2Å; P311-V314 VanDerWaalsContact O-N 3.12Å; S312-V314 PolarHBondContact O-N 2.97Å; V314-R316 VanDerWaalsContact C-N 3.34Å; V314-R316 PolarHBondContact O-N 3.47Å; V314-Q317 PolarHBondContact O-N 3.41Å; V314-Q317 VanDerWaalsContact O-N 3.11Å |
| 315 | K | 84 | Confident | 68.3 | Low | 118 Ų | 118 | 92.5 Ų | 92.5 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -35.2 | -179.1 | -65.9 | 173.2 | 178.9 | 159 | 0 | 113.5 | V310 P311 S312 Q317 | V310-K315 HydrophobicContact CG1-CG 4.17Å; V310-K315 WeakPolarHBondContact O-CE 3.33Å; V310-K315 PolarHBondContact O-NZ 3.39Å; P311-K315 PolarHBondContact O-N 2.87Å; S312-K315 PolarHBondContact O-N 3.16Å; S312-K315 VanDerWaalsContact O-N 3.12Å; K315-Q317 PolarHBondContact O-N 3.44Å |
| 316 | R | 76.3 | Confident | 67.4 | Low | 181 Ų | 181 | 93.1 Ų | 93.1 | 68% | 0.683 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.7 | 176.8 | -73.6 | 176.6 | -161.4 | 174.9 | 8.1 | 112.5 | S312 V314 T318 | S312-R316 VanDerWaalsContact O-CG 3.31Å; S312-R316 WeakPolarHBondContact O-CG 3.46Å; S312-R316 PolarHBondContact O-N 3.25Å; V314-R316 VanDerWaalsContact C-N 3.34Å; V314-R316 PolarHBondContact O-N 3.47Å; R316-T318 PolarHBondContact O-N 2.95Å |
| 317 | Q | 65.9 | Low | 66.4 | Low | 83 Ų | 83 | 94.4 Ų | 94.4 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -91.8 | 100.2 | 176.1 | -60.1 | -151.8 | 23.5 | 0 | 0 | 109.5 | M143 V314 K315 | M143-Q317 HydrophobicContact CE-CB 4.28Å; M143-Q317 HydrophobicContact CE-CG 4.38Å; M143-Q317 HydrophobicContact SD-CG 4.41Å; M143-Q317 PolarHBondContact SD-NE2 2.9Å; M143-Q317 PolarHBondContact SD-OE1 2.89Å; V314-Q317 PolarHBondContact O-N 3.41Å; V314-Q317 VanDerWaalsContact O-N 3.11Å; K315-Q317 PolarHBondContact O-N 3.44Å |
| 318 | T | 44.2 | Very low | 65.5 | Low | 113 Ų | 113 | 91.1 Ų | 91.1 | 69% | 0.693 | 47% | 0.472 | S | S | * | . | trans | -49 | 124.6 | 179 | -17.6 | 0 | 0 | 0 | 0 | 111.1 | R316 G320 | R316-T318 PolarHBondContact O-N 2.95Å; T318-G320 PolarHBondContact O-N 3.47Å | ||
| 319 | P | 42.8 | Very low | 64.1 | Low | 133 Ų | 133 | 98 Ų | 98 | 86% | 0.864 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 98.4 | 171.9 | 27 | -30.9 | 0 | 0 | 0 | 107.9 | ||
| 320 | G | 45.3 | Very low | 63.2 | Low | 69 Ų | 69 | 103.4 Ų | 103.4 | 71% | 0.711 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 155.8 | -11.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | T318 | T318-G320 PolarHBondContact O-N 3.47Š|
| 321 | R | 38.3 | Very low | 62.7 | Low | 223 Ų | 223 | 101.7 Ų | 101.7 | 84% | 0.842 | 52% | 0.52 | S | S | * | . | trans | -127.3 | 95.6 | 164.3 | -83.9 | -174.5 | 179.9 | -177.1 | 0.3 | 109.2 | R323 | R321-R323 PolarHBondContact O-N 2.92Å; R321-R323 VanDerWaalsContact O-N 3.08Å | ||
| 322 | P | 40.4 | Very low | 62.5 | Low | 108 Ų | 108 | 102.9 Ų | 102.9 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | trans | -54.1 | 121.4 | 151.8 | -3 | 17.6 | 0 | 0 | 0 | 104.4 | E324 | P322-E324 PolarHBondContact O-N 3.23Š| ||
| 323 | R | 45.6 | Very low | 62.5 | Low | 231 Ų | 231 | 101.8 Ų | 101.8 | 87% | 0.872 | 52% | 0.52 | S | S | * | . | trans | -62.5 | 93.2 | 151.2 | -86.1 | -177.2 | 174.4 | 171.9 | -1.4 | 102.8 | R321 | R321-R323 PolarHBondContact O-N 2.92Å; R321-R323 VanDerWaalsContact O-N 3.08Å | ||
| 324 | E | 43.7 | Very low | 62.7 | Low | 147 Ų | 147 | 100.8 Ų | 100.8 | 69% | 0.687 | 52% | 0.516 | S | S | * | . | trans | -42.8 | 138 | 162.9 | -74.2 | -176.7 | 162.1 | 0 | 0 | 105.9 | P322 V326 | P322-E324 PolarHBondContact O-N 3.23Å; E324-V326 PolarHBondContact O-N 2.81Å | ||
| 325 | P | 50 | Low | 62.8 | Low | 101 Ų | 101 | 99.7 Ų | 99.7 | 66% | 0.656 | 51% | 0.508 | S | S | * | . | trans | -44.1 | 127.9 | 175.3 | 19.8 | -31 | 0 | 0 | 0 | 106.1 | T327 | P325-T327 PolarHBondContact O-N 2.67Š| ||
| 326 | V | 52.6 | Low | 62.9 | Low | 72 Ų | 72 | 95 Ų | 95 | 44% | 0.436 | 49% | 0.489 | S | S | . | . | trans | -57.7 | 91.1 | -172.5 | 178.9 | 0 | 0 | 0 | 0 | 106.5 | E324 F328 | E324-V326 PolarHBondContact O-N 2.81Å; V326-F328 HydrophobicContact CB-CE2 4.41Å; V326-F328 HydrophobicContact CB-CZ 4.42Å; V326-F328 HydrophobicContact CG1-CD1 4.05Å; V326-F328 HydrophobicContact CG1-CD2 4.36Å; V326-F328 HydrophobicContact CG1-CE1 3.83Å; V326-F328 HydrophobicContact CG1-CE2 4.15Å; V326-F328 HydrophobicContact CG1-CG 4.31Å; V326-F328 HydrophobicContact CG1-CZ 3.88Å; V326-F328 VanDerWaalsContact O-CD2 3.28Å; V326-F328 WeakPolarHBondContact O-CD2 3.5Å; V326-F328 PolarHBondContact O-N 3.39Å | ||
| 327 | T | 53.1 | Low | 63.5 | Low | 87 Ų | 87 | 87.3 Ų | 87.3 | 53% | 0.534 | 46% | 0.462 | S | S | . | . | trans | -76.9 | 94.1 | 174.4 | 42.9 | 0 | 0 | 0 | 0 | 102.1 | P325 K329 | P325-T327 PolarHBondContact O-N 2.67Å; T327-K329 VanDerWaalsContact C-N 3.3Å; T327-K329 PolarHBondContact O-N 3.03Å | ||
| 328 | F | 62.7 | Low | 64.5 | Low | 53 Ų | 53 | 87.8 Ų | 87.8 | 23% | 0.232 | 46% | 0.464 | C | S | . | . | trans | -55 | 103.8 | 168.6 | -63.3 | -80.6 | 0 | 0 | 0 | 105.5 | V326 D330 A331 H488 | V326-F328 HydrophobicContact CB-CE2 4.41Å; V326-F328 HydrophobicContact CB-CZ 4.42Å; V326-F328 HydrophobicContact CG1-CD1 4.05Å; V326-F328 HydrophobicContact CG1-CD2 4.36Å; V326-F328 HydrophobicContact CG1-CE1 3.83Å; V326-F328 HydrophobicContact CG1-CE2 4.15Å; V326-F328 HydrophobicContact CG1-CG 4.31Å; V326-F328 HydrophobicContact CG1-CZ 3.88Å; V326-F328 VanDerWaalsContact O-CD2 3.28Å; V326-F328 WeakPolarHBondContact O-CD2 3.5Å; V326-F328 PolarHBondContact O-N 3.39Å; F328-D330 PolarHBondContact O-N 3.5Å; F328-A331 HydrophobicContact CB-CB 3.72Å; F328-A331 WeakPolarHBondContact O-CB 3.28Å; F328-A331 PolarHBondContact O-N 2.85Å; F328-H488 HydrophobicContact CB-CB 4.37Å; F328-H488 HydrophobicContact CD1-CB 4.45Å; F328-H488 AromaticContact CD1-CD2 3.51Å; F328-H488 AromaticContact CD1-CG 3.82Å; F328-H488 AromaticContact CD1-NE2 3.74Å; F328-H488 HydrophobicContact CD2-CB 4.38Å; F328-H488 AromaticContact CE1-CD2 3.84Å; F328-H488 AromaticContact CE1-CE1 3.63Å; F328-H488 AromaticContact CE1-ND1 3.9Å; F328-H488 AromaticContact CE1-NE2 3.6Å; F328-H488 HydrophobicContact CG-CB 4.16Å | ||
| 329 | K | 62.9 | Low | 66.6 | Low | 186 Ų | 186 | 85.1 Ų | 85.1 | 81% | 0.809 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -20.9 | -175 | -74.5 | -175.9 | 176 | 179 | 0 | 112.2 | T327 | T327-K329 VanDerWaalsContact C-N 3.3Å; T327-K329 PolarHBondContact O-N 3.03Å |
| 330 | D | 72.6 | Confident | 69 | Low | 140 Ų | 140 | 80.9 Ų | 80.9 | 75% | 0.749 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 12.9 | -178.7 | -54.9 | -48.1 | 0 | 0 | 0 | 114.2 | F328 | F328-D330 PolarHBondContact O-N 3.5Š|
| 331 | A | 80.3 | Confident | 71.2 | Confident | 11 Ų | 11 | 77.7 Ų | 77.7 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 138.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F328 H488 Q490 S527 | F328-A331 HydrophobicContact CB-CB 3.72Å; F328-A331 WeakPolarHBondContact O-CB 3.28Å; F328-A331 PolarHBondContact O-N 2.85Å; A331-H488 CarbonylContact C-O 3.53Å; A331-H488 VanDerWaalsContact CA-O 3.3Å; A331-H488 WeakPolarHBondContact CA-O 3.45Å; A331-H488 HydrophobicContact CB-CB 4.33Å; A331-Q490 HydrophobicContact CB-CB 4.01Å; A331-S527 VanDerWaalsContact O-CB 3.29Å; A331-S527 WeakPolarHBondContact O-CB 3.4Å |
| 332 | V | 87.4 | Confident | 73.9 | Confident | 26 Ų | 26 | 71.9 Ų | 71.9 | 16% | 0.158 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.1 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | M334 V337 R487 H488 I489 Q490 | V332-M334 PolarHBondContact O-N 2.86Å; V332-V337 HydrophobicContact CG1-CG2 3.87Å; V332-R487 HydrophobicContact CG2-CB 4.23Å; V332-H488 PolarHBondContact N-O 3.39Å; V332-I489 WeakPolarHBondContact O-CA 3.3Å; V332-Q490 PolarHBondContact O-N 3.34Å |
| 333 | C | 89.6 | Confident | 76.5 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.02 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 124.8 | 173.2 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | W335 N336 Q496 | C333-W335 PolarHBondContact O-N 3.4Å; C333-N336 WeakPolarHBondContact O-CB 3.47Å; C333-N336 PolarHBondContact O-N 3.01Å; C333-Q496 PolarHBondContact SG-OE1 3.24Å |
| 334 | M | 91.1 | Very high | 78.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -54.7 | -37.3 | -176.8 | -167.9 | 178.4 | 83.7 | 0 | 0 | 112.7 | V332 N336 V337 I397 Y398 I400 I433 I489 Q490 F491 | V332-M334 PolarHBondContact O-N 2.86Å; M334-N336 PolarHBondContact O-N 2.88Å; M334-V337 WeakPolarHBondContact O-CB 3.3Å; M334-V337 PolarHBondContact O-N 3.4Å; M334-I397 HydrophobicContact CG-CG2 3.53Å; M334-Y398 WeakPolarHBondContact O-CA 3.11Å; M334-I400 WeakPolarHBondContact CE-O 3.37Å; M334-I433 HydrophobicContact CE-CD1 4.28Å; M334-I433 HydrophobicContact SD-CD1 4.1Å; M334-I489 HydrophobicContact CB-CG2 3.69Å; M334-I489 HydrophobicContact CG-CG2 3.77Å; M334-Q490 WeakPolarHBondContact CB-O 3.41Å; M334-Q490 PolarHBondContact N-O 3.41Å; M334-F491 HydrophobicContact CE-CD2 3.42Å; M334-F491 VanDerWaalsContact CE-CD2 3.42Å; M334-F491 HydrophobicContact CE-CE2 3.67Å; M334-F491 HydrophobicContact SD-CD2 4.18Å |
| 335 | W | 89.7 | Confident | 81.5 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 3% | 0.034 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -71.2 | -7.6 | 180 | -69.1 | -2.9 | 0 | 0 | 0 | 114.7 | C333 F491 P492 R497 F500 T607 C611 | C333-W335 PolarHBondContact O-N 3.4Å; W335-F491 HydrophobicContact CZ2-CZ 4.25Å; W335-P492 HydrophobicContact CB-CG 4.05Å; W335-P492 HydrophobicContact CD2-CB 4.33Å; W335-P492 HydrophobicContact CD2-CG 3.22Å; W335-P492 VanDerWaalsContact CE2-CG 3.47Å; W335-P492 HydrophobicContact CE3-CB 4.31Å; W335-P492 HydrophobicContact CE3-CG 3.64Å; W335-P492 HydrophobicContact CG-CG 3.41Å; W335-P492 VanDerWaalsContact CG-CG 3.41Å; W335-P492 HydrophobicContact CH2-CG 4.39Å; W335-P492 HydrophobicContact CZ2-CG 4.07Å; W335-P492 HydrophobicContact CZ3-CG 4.19Å; W335-R497 HydrophobicContact CH2-CG 3.96Å; W335-R497 HydrophobicContact CZ3-CB 4.5Å; W335-R497 HydrophobicContact CZ3-CG 4.1Å; W335-F500 HydrophobicContact CB-CE1 4.01Å; W335-F500 HydrophobicContact CB-CE2 3.87Å; W335-F500 HydrophobicContact CB-CZ 3.56Å; W335-F500 HydrophobicContact CD2-CD2 4.45Å; W335-F500 HydrophobicContact CE3-CB 3.91Å; W335-F500 HydrophobicContact CE3-CD1 4.03Å; W335-F500 AromaticContact CE3-CD2 3.38Å; W335-F500 HydrophobicContact CE3-CD2 3.38Å; W335-F500 HydrophobicContact CE3-CE1 4.39Å; W335-F500 AromaticContact CE3-CE2 3.83Å; W335-F500 HydrophobicContact CE3-CE2 3.83Å; W335-F500 AromaticContact CE3-CG 3.52Å; W335-F500 HydrophobicContact CE3-CG 3.52Å; W335-F500 HydrophobicContact CE3-CZ 4.32Å; W335-F500 HydrophobicContact CZ3-CB 3.78Å; W335-F500 AromaticContact CZ3-CD2 3.93Å; W335-F500 HydrophobicContact CZ3-CD2 3.93Å; W335-F500 AromaticContact CZ3-CG 3.94Å; W335-F500 HydrophobicContact CZ3-CG 3.94Å; W335-T607 HydrophobicContact CB-CG2 4.41Å; W335-T607 HydrophobicContact CD2-CG2 3.31Å; W335-T607 VanDerWaalsContact CE2-CG2 3.44Å; W335-T607 HydrophobicContact CE3-CG2 3.72Å; W335-T607 HydrophobicContact CG-CG2 3.64Å; W335-T607 HydrophobicContact CH2-CG2 4.34Å; W335-T607 HydrophobicContact CZ2-CG2 3.98Å; W335-T607 HydrophobicContact CZ3-CG2 4.23Å; W335-C611 HydrophobicContact CH2-CB 3.79Å; W335-C611 HydrophobicContact CZ3-CB 3.92Å |
| 336 | N | 87.4 | Confident | 83.7 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -91.2 | -7.2 | 169.9 | -65.5 | -30.2 | 0 | 0 | 0 | 113.1 | C333 M334 F524 I525 | C333-N336 WeakPolarHBondContact O-CB 3.47Å; C333-N336 PolarHBondContact O-N 3.01Å; M334-N336 PolarHBondContact O-N 2.88Å; N336-F524 HydrophobicContact CB-CD2 4.2Å; N336-F524 HydrophobicContact CB-CE2 4.29Å; N336-I525 PolarHBondContact ND2-O 3.23Å; N336-I525 PolarHBondContact OD1-N 3.23Å |
| 337 | V | 87.5 | Confident | 85.9 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 12% | 0.115 | 23% | 0.225 | C | C | . | . | trans | -93.9 | 106.7 | -171 | -173.7 | 0 | 0 | 0 | 0 | 110.5 | V332 M334 S339 I397 Y398 I489 | V332-V337 HydrophobicContact CG1-CG2 3.87Å; M334-V337 WeakPolarHBondContact O-CB 3.3Å; M334-V337 PolarHBondContact O-N 3.4Å; V337-S339 WeakPolarHBondContact CG1-OG 3.4Å; V337-I397 HydrophobicContact CB-CB 4.03Å; V337-I397 HydrophobicContact CB-CG2 3.82Å; V337-I397 HydrophobicContact CG1-CB 3.85Å; V337-I397 HydrophobicContact CG1-CD1 3.69Å; V337-I397 HydrophobicContact CG1-CG1 4.33Å; V337-I397 HydrophobicContact CG1-CG2 3.98Å; V337-Y398 PolarHBondContact O-N 3.23Å; V337-Y398 VanDerWaalsContact O-N 3.14Å; V337-I489 HydrophobicContact CG1-CD1 4.22Å; V337-I489 HydrophobicContact CG2-CD1 4.2Å; V337-I489 HydrophobicContact CG2-CG1 4.33Å; V337-I489 HydrophobicContact CG2-CG2 4.11Å | ||
| 338 | Q | 86.7 | Confident | 87.9 | Confident | 92 Ų | 92 | 41.1 Ų | 41.1 | 43% | 0.43 | 20% | 0.203 | S | C | . | . | trans | -86.4 | -14.4 | -176.8 | -67 | -175.9 | -9.3 | 0 | 0 | 114.5 | ||||
| 339 | S | 89.6 | Confident | 89.3 | Confident | 58 Ų | 58 | 43.4 Ų | 43.4 | 41% | 0.406 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -66.5 | 147.9 | 179.8 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | V337 I397 | V337-S339 WeakPolarHBondContact CG1-OG 3.4Å; S339-I397 WeakPolarHBondContact O-CG1 3.36Å; S339-I397 PolarHBondContact O-N 2.96Å |
| 340 | N | 91.6 | Very high | 90.5 | Very high | 43 Ų | 43 | 38 Ų | 38 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 148.1 | 172.6 | -77.4 | 2.3 | 0 | 0 | 0 | 111.4 | E392 F393 | N340-E392 HydrophobicContact CB-CG 3.98Å; N340-F393 VanDerWaalsContact CB-O 3.29Å; N340-F393 WeakPolarHBondContact CB-O 3.43Å; N340-F393 PolarHBondContact ND2-O 2.66Å |
| 341 | F | 92.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 138.2 | 175.1 | -175 | -108 | 0 | 0 | 0 | 110.8 | I343 I365 F393 L395 I397 I400 M432 L439 F482 | F341-I343 HydrophobicContact CD1-CD1 4.44Å; F341-I343 HydrophobicContact CD1-CG1 4.31Å; F341-I343 HydrophobicContact CE1-CD1 3.55Å; F341-I343 HydrophobicContact CE1-CG1 3.53Å; F341-I343 HydrophobicContact CZ-CD1 4.21Å; F341-I343 HydrophobicContact CZ-CG1 3.97Å; F341-I365 HydrophobicContact CD1-CD1 3.73Å; F341-I365 HydrophobicContact CE1-CD1 4.22Å; F341-F393 HydrophobicContact CD1-CD2 4.05Å; F341-F393 PolarHBondContact O-N 2.77Å; F341-L395 PolarHBondContact N-O 2.95Å; F341-I397 HydrophobicContact CB-CG1 4.31Å; F341-I397 HydrophobicContact CD2-CG1 4.47Å; F341-I400 HydrophobicContact CB-CD1 4.13Å; F341-I400 HydrophobicContact CD2-CD1 4.03Å; F341-I400 HydrophobicContact CG-CD1 4.19Å; F341-M432 HydrophobicContact CD1-CE 3.57Å; F341-M432 HydrophobicContact CD2-CE 3.82Å; F341-M432 HydrophobicContact CE1-CE 3.35Å; F341-M432 HydrophobicContact CE2-CE 3.64Å; F341-M432 HydrophobicContact CG-CE 3.78Å; F341-M432 HydrophobicContact CZ-CE 3.39Å; F341-L439 HydrophobicContact CD2-CD2 4.32Å; F341-L439 HydrophobicContact CE2-CD1 4.33Å; F341-L439 HydrophobicContact CE2-CD2 4.27Å; F341-L439 HydrophobicContact CE2-CG 4.47Å; F341-F482 AromaticContact CZ-CD1 3.94Å; F341-F482 HydrophobicContact CZ-CD1 3.94Å; F341-F482 HydrophobicContact CZ-CE1 4.42Å |
| 342 | R | 94.2 | Very high | 91.5 | Very high | 100 Ų | 100 | 39 Ų | 39 | 38% | 0.377 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 143.3 | -177.3 | -55.3 | -179 | -178.5 | 173.8 | -5.6 | 111.8 | V390 L391 E392 F484 | R342-V390 HydrophobicContact CB-CG1 4.36Å; R342-L391 VanDerWaalsContact CA-O 3.24Å; R342-L391 WeakPolarHBondContact CA-O 3.18Å; R342-E392 HydrophobicContact CG-CB 4.1Å; R342-E392 HydrophobicContact CG-CG 4.04Å; R342-E392 IonicContact CZ-OE1 2.74Å; R342-E392 IonicContact CZ-OE2 2.95Å; R342-E392 IonicContact NE-OE1 3.73Å; R342-E392 PolarHBondContact NE-OE1 3.44Å; R342-E392 IonicContact NE-OE2 3.63Å; R342-E392 PolarHBondContact NE-OE2 3.26Å; R342-E392 VanDerWaalsContact NH2-CD 3.28Å; R342-E392 IonicContact NH2-OE1 3.74Å; R342-E392 PolarHBondContact NH2-OE1 3.44Å; R342-E392 IonicContact NH2-OE2 2.9Å; R342-E392 PolarHBondContact NH2-OE2 2.88Å; R342-F484 HydrophobicContact CB-CD2 4.15Å; R342-F484 HydrophobicContact CB-CE2 3.61Å |
| 343 | I | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133.3 | 175 | -60.4 | 169.1 | 0 | 0 | 0 | 108.7 | F341 V363 L391 F393 V406 F408 V480 F482 | F341-I343 HydrophobicContact CD1-CD1 4.44Å; F341-I343 HydrophobicContact CD1-CG1 4.31Å; F341-I343 HydrophobicContact CE1-CD1 3.55Å; F341-I343 HydrophobicContact CE1-CG1 3.53Å; F341-I343 HydrophobicContact CZ-CD1 4.21Å; F341-I343 HydrophobicContact CZ-CG1 3.97Å; I343-V363 HydrophobicContact CD1-CG1 3.89Å; I343-L391 PolarHBondContact N-O 2.72Å; I343-L391 PolarHBondContact O-N 3.22Å; I343-F393 HydrophobicContact CB-CE2 4.33Å; I343-F393 HydrophobicContact CD1-CE2 3.82Å; I343-F393 HydrophobicContact CD1-CZ 4.16Å; I343-F393 HydrophobicContact CG1-CE2 4.09Å; I343-V406 HydrophobicContact CD1-CG2 3.81Å; I343-F408 HydrophobicContact CD1-CE1 4.4Å; I343-F408 HydrophobicContact CD1-CZ 4.03Å; I343-F408 HydrophobicContact CG2-CE1 4.2Å; I343-F408 HydrophobicContact CG2-CZ 4.31Å; I343-V480 HydrophobicContact CG2-CB 4.25Å; I343-F482 HydrophobicContact CD1-CD1 4.25Å; I343-F482 HydrophobicContact CD1-CE1 3.78Å; I343-F482 HydrophobicContact CG1-CD1 3.82Å; I343-F482 HydrophobicContact CG1-CE1 3.85Å; I343-F482 HydrophobicContact CG2-CE1 4.37Å |
| 344 | K | 96.7 | Very high | 91.1 | Very high | 58 Ų | 58 | 43 Ų | 43 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 121.7 | 166 | -168 | 175.5 | 177.8 | 177.9 | 0 | 110.3 | I346 E389 V390 V480 E481 F484 | K344-I346 HydrophobicContact CD-CG1 4.38Å; K344-I346 HydrophobicContact CG-CG1 4.23Å; K344-E389 CarbonylContact C-O 3.58Å; K344-E389 WeakPolarHBondContact CA-O 3.3Å; K344-V390 HydrophobicContact CB-CG2 4.28Å; K344-V390 HydrophobicContact CD-CG2 4.39Å; K344-V390 HydrophobicContact CG-CG2 4.06Å; K344-V480 CarbonylContact O-C 3.58Å; K344-V480 VanDerWaalsContact O-CA 3.25Å; K344-V480 WeakPolarHBondContact O-CA 3.44Å; K344-E481 HydrophobicContact CB-CB 4.11Å; K344-E481 PolarHBondContact N-O 3.45Å; K344-E481 PolarHBondContact O-N 3.13Å; K344-F484 HydrophobicContact CB-CE1 3.84Å; K344-F484 HydrophobicContact CB-CZ 3.77Å; K344-F484 HydrophobicContact CD-CE1 4.21Å |
| 345 | V | 97.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 113.4 | 169.4 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | V361 V363 T377 W387 N388 E389 L391 L478 | V345-V361 HydrophobicContact CG1-CB 4.17Å; V345-V361 HydrophobicContact CG1-CG1 4.43Å; V345-V361 HydrophobicContact CG1-CG2 3.95Å; V345-V363 HydrophobicContact CG2-CG2 4.43Å; V345-T377 HydrophobicContact CB-CG2 3.74Å; V345-T377 HydrophobicContact CG1-CG2 3.93Å; V345-T377 HydrophobicContact CG2-CG2 3.76Å; V345-W387 HydrophobicContact CG1-CB 4.46Å; V345-W387 HydrophobicContact CG1-CD2 4.41Å; V345-W387 HydrophobicContact CG1-CE3 4.16Å; V345-N388 CarbonylContact O-C 3.45Å; V345-N388 VanDerWaalsContact O-CA 3.29Å; V345-N388 WeakPolarHBondContact O-CA 3.35Å; V345-N388 PolarHBondContact O-N 2.68Å; V345-E389 PolarHBondContact N-O 3.29Å; V345-E389 PolarHBondContact O-N 3.13Å; V345-E389 VanDerWaalsContact O-N 3.09Å; V345-L391 HydrophobicContact CG2-CD1 3.76Å; V345-L391 HydrophobicContact CG2-CG 4.2Å; V345-L478 HydrophobicContact CG1-CD1 4.08Å |
| 346 | I | 97.1 | Very high | 89.9 | Confident | 33 Ų | 33 | 53 Ų | 53 | 17% | 0.169 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -66.4 | -171.3 | -58.7 | 170.6 | 0 | 0 | 0 | 110.2 | K344 W387 N388 H479 E481 | K344-I346 HydrophobicContact CD-CG1 4.38Å; K344-I346 HydrophobicContact CG-CG1 4.23Å; I346-W387 PolarHBondContact O-N 3.17Å; I346-N388 PolarHBondContact O-N 3.5Å; I346-H479 HydrophobicContact CB-CB 4.16Å; I346-H479 WeakPolarHBondContact CB-O 3.33Å; I346-H479 PolarHBondContact N-O 3.2Å; I346-E481 HydrophobicContact CD1-CB 4.05Å |
| 347 | A | 97 | Very high | 89.9 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 162.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y349 L385 R386 H479 | A347-Y349 HydrophobicContact CB-CE2 3.84Å; A347-L385 CarbonylContact C-O 3.57Å; A347-L385 WeakPolarHBondContact CA-O 3.23Å; A347-L385 WeakPolarHBondContact CB-O 3.28Å; A347-R386 HydrophobicContact CB-CG 3.95Å; A347-H479 PolarHBondContact N-O 2.92Å; A347-H479 PolarHBondContact O-N 3.42Å |
| 348 | A | 95.4 | Very high | 90.2 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 7% | 0.066 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111 | V351 L385 W387 L410 C477 L478 | A348-V351 HydrophobicContact CB-CG2 4.1Å; A348-L385 HydrophobicContact CB-CB 4.22Å; A348-L385 HydrophobicContact CB-CD1 4.28Å; A348-L385 PolarHBondContact N-O 3.04Å; A348-W387 HydrophobicContact CB-CH2 4.16Å; A348-W387 HydrophobicContact CB-CZ3 3.76Å; A348-L410 HydrophobicContact CB-CD1 4.45Å; A348-L410 HydrophobicContact CB-CD2 4.28Å; A348-C477 CarbonylContact C-O 3.56Å; A348-C477 VanDerWaalsContact CA-O 3.28Å; A348-C477 WeakPolarHBondContact CA-O 3.48Å; A348-L478 HydrophobicContact CB-CD1 4.19Å |
| 349 | Y | 92.2 | Very high | 90.6 | Very high | 101 Ų | 101 | 50.5 Ų | 50.5 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 161.3 | -179.6 | -57.2 | -86.3 | 0 | 0 | 0 | 110.6 | A347 P476 C477 H479 | A347-Y349 HydrophobicContact CB-CE2 3.84Å; Y349-P476 WeakPolarHBondContact O-CA 3.29Å; Y349-C477 PolarHBondContact N-O 2.84Å; Y349-C477 PolarHBondContact O-N 3.2Å; Y349-H479 AromaticContact CE2-CE1 3.69Å; Y349-H479 AromaticContact CE2-CG 3.86Å; Y349-H479 AromaticContact CE2-ND1 3.55Å |
| 350 | N | 89.2 | Confident | 90.9 | Very high | 74 Ų | 74 | 48.8 Ų | 48.8 | 40% | 0.396 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 58.3 | 46.5 | 177.4 | -158.6 | 32.7 | 0 | 0 | 0 | 113.5 | R473 V475 P476 | N350-R473 PolarHBondContact ND2-O 3.47Å; N350-V475 PolarHBondContact ND2-N 3.13Å; N350-V475 PolarHBondContact ND2-O 3.37Å; N350-P476 WeakPolarHBondContact O-CA 3.47Å |
| 351 | V | 88.4 | Confident | 91.1 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 16% | 0.158 | 24% | 0.24 | C | C | . | . | trans | -109.6 | 124 | -175.6 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | A348 V353 L385 L410 L425 P476 | A348-V351 HydrophobicContact CB-CG2 4.1Å; V351-V353 HydrophobicContact CG1-CG1 3.97Å; V351-V353 HydrophobicContact CG1-CG2 3.95Å; V351-V353 PolarHBondContact O-N 2.53Å; V351-L385 HydrophobicContact CB-CD1 3.7Å; V351-L385 HydrophobicContact CG1-CD1 4.02Å; V351-L385 HydrophobicContact CG2-CD1 3.59Å; V351-L410 HydrophobicContact CG1-CD2 4.1Å; V351-L410 HydrophobicContact CG2-CD2 3.81Å; V351-L425 HydrophobicContact CG1-CD1 3.35Å; V351-P476 HydrophobicContact CG2-CB 4.29Å | ||
| 352 | N | 84.5 | Confident | 91.3 | Very high | 146 Ų | 146 | 49.7 Ų | 49.7 | 78% | 0.781 | 25% | 0.252 | S | S | * | . | trans | -94.7 | 89.3 | -178.3 | -66.2 | -31.2 | 0 | 0 | 0 | 110.9 | ||||
| 353 | V | 84.6 | Confident | 91.5 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 25% | 0.248 | 23% | 0.234 | C | C | . | . | trans | -140.4 | 155.9 | -177.9 | -73.9 | 0 | 0 | 0 | 0 | 110.5 | V351 C382 A412 L425 | V351-V353 HydrophobicContact CG1-CG1 3.97Å; V351-V353 HydrophobicContact CG1-CG2 3.95Å; V351-V353 PolarHBondContact O-N 2.53Å; V353-C382 HydrophobicContact CB-CB 4.39Å; V353-C382 HydrophobicContact CG2-CB 3.64Å; V353-C382 VanDerWaalsContact CG2-SG 3.59Å; V353-A412 HydrophobicContact CG1-CB 3.85Å; V353-L425 HydrophobicContact CG1-CD1 3.53Å; V353-L425 HydrophobicContact CG1-CD2 3.99Å; V353-L425 HydrophobicContact CG1-CG 4.42Å | ||
| 354 | T | 83.6 | Confident | 91.5 | Very high | 71 Ų | 71 | 44.9 Ų | 44.9 | 44% | 0.436 | 23% | 0.234 | S | C | . | . | trans | -76.5 | 148.1 | 174.1 | 46.8 | 0 | 0 | 0 | 0 | 111.1 | D356 D357 C382 R414 | T354-D356 PolarHBondContact O-N 3.04Å; T354-D357 PolarHBondContact O-N 3.06Å; T354-D357 VanDerWaalsContact O-N 3.15Å; T354-D357 VanDerWaalsContact OG1-CG 3.22Å; T354-D357 PolarHBondContact OG1-OD2 3.49Å; T354-C382 WeakPolarHBondContact O-CB 3.5Å; T354-R414 PolarHBondContact OG1-NH2 2.97Å | ||
| 355 | C | 76.4 | Confident | 91.5 | Very high | 84 Ų | 84 | 42.1 Ų | 42.1 | 57% | 0.568 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23.2 | -175.5 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | D357 | C355-D357 VanDerWaalsContact C-N 3.31Š|
| 356 | D | 79.8 | Confident | 91.4 | Very high | 136 Ų | 136 | 42.6 Ų | 42.6 | 73% | 0.727 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -11.7 | 178.3 | -57.6 | -34.4 | 0 | 0 | 0 | 113.4 | T354 | T354-D356 PolarHBondContact O-N 3.04Š|
| 357 | D | 88.2 | Confident | 91.3 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -82.6 | 162.8 | 177.3 | -66.4 | -25.5 | 0 | 0 | 0 | 110.7 | T354 C355 C382 R414 | T354-D357 PolarHBondContact O-N 3.06Å; T354-D357 VanDerWaalsContact O-N 3.15Å; T354-D357 VanDerWaalsContact OG1-CG 3.22Å; T354-D357 PolarHBondContact OG1-OD2 3.49Å; C355-D357 VanDerWaalsContact C-N 3.31Å; D357-C382 VanDerWaalsContact C-SG 3.53Å; D357-C382 VanDerWaalsContact O-CB 3.29Å; D357-C382 WeakPolarHBondContact O-CB 3.29Å; D357-C382 PolarHBondContact O-N 3.34Å; D357-C382 PolarHBondContact O-SG 3.28Å; D357-R414 WeakPolarHBondContact OD1-CB 3.42Å; D357-R414 WeakPolarHBondContact OD1-CG 3.25Å; D357-R414 IonicContact OD1-CZ 2.57Å; D357-R414 IonicContact OD1-NE 3.71Å; D357-R414 PolarHBondContact OD1-NE 3.22Å; D357-R414 IonicContact OD1-NH2 3.97Å; D357-R414 IonicContact OD2-CZ 3.87Å; D357-R414 IonicContact OD2-NE 3.75Å; D357-R414 IonicContact OD2-NH2 2.77Å; D357-R414 PolarHBondContact OD2-NH2 3.37Å |
| 358 | F | 93 | Very high | 90.9 | Very high | 67 Ų | 67 | 41.4 Ų | 41.4 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 160 | 170.1 | -66.6 | -99.5 | 0 | 0 | 0 | 110 | A379 I380 C382 A412 V413 Q415 | F358-A379 HydrophobicContact CB-CB 4.36Å; F358-I380 CarbonylContact C-O 3.55Å; F358-I380 VanDerWaalsContact CA-O 3.23Å; F358-I380 WeakPolarHBondContact CA-O 3.43Å; F358-C382 VanDerWaalsContact C-SG 3.5Å; F358-A412 CarbonylContact O-C 3.57Å; F358-A412 VanDerWaalsContact O-CA 3.29Å; F358-A412 WeakPolarHBondContact O-CA 3.43Å; F358-V413 HydrophobicContact CB-CB 4.43Å; F358-V413 PolarHBondContact N-O 3.39Å; F358-V413 PolarHBondContact O-N 3.14Å; F358-Q415 HydrophobicContact CD2-CG 4.29Å; F358-Q415 HydrophobicContact CE2-CG 4.48Å |
| 359 | A | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 152 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A379 I380 L385 W387 C411 | A359-A379 WeakPolarHBondContact O-CA 3.44Å; A359-I380 PolarHBondContact N-O 3.42Å; A359-I380 PolarHBondContact O-N 3.08Å; A359-L385 HydrophobicContact CB-CD2 3.55Å; A359-W387 HydrophobicContact CB-CH2 4.48Å; A359-W387 HydrophobicContact CB-CZ2 4.16Å; A359-C411 CarbonylContact C-O 3.4Å; A359-C411 WeakPolarHBondContact CA-O 3.15Å; A359-C411 WeakPolarHBondContact CB-O 3.04Å |
| 360 | Y | 96 | Very high | 90.5 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 9% | 0.09 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 159.3 | 174.7 | 65.9 | -76.3 | 0 | 0 | 0 | 109.9 | K362 C411 V413 H422 | Y360-K362 HydrophobicContact CD2-CD 4.34Å; Y360-K362 HydrophobicContact CD2-CG 3.76Å; Y360-K362 HydrophobicContact CE2-CD 4.07Å; Y360-K362 HydrophobicContact CE2-CG 3.38Å; Y360-C411 HydrophobicContact CD1-CB 3.93Å; Y360-C411 HydrophobicContact CD2-CB 4.47Å; Y360-C411 HydrophobicContact CE1-CB 3.3Å; Y360-C411 HydrophobicContact CE2-CB 3.96Å; Y360-C411 HydrophobicContact CG-CB 4.46Å; Y360-C411 PolarHBondContact N-O 3.36Å; Y360-C411 PolarHBondContact O-N 2.94Å; Y360-C411 WeakPolarHBondContact OH-CB 3.5Å; Y360-V413 HydrophobicContact CD1-CG2 3.51Å; Y360-V413 HydrophobicContact CE1-CG2 3.2Å; Y360-H422 AromaticContact CE1-ND1 3.55Å; Y360-H422 AromaticContact CZ-ND1 3.58Å; Y360-H422 PolarHBondContact OH-ND1 2.75Å |
| 361 | V | 97.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.9 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | V345 V363 G376 T377 W387 F408 T409 L410 L478 | V345-V361 HydrophobicContact CG1-CB 4.17Å; V345-V361 HydrophobicContact CG1-CG1 4.43Å; V345-V361 HydrophobicContact CG1-CG2 3.95Å; V361-V363 HydrophobicContact CG1-CG2 3.95Å; V361-G376 CarbonylContact O-C 3.44Å; V361-G376 WeakPolarHBondContact O-CA 3.38Å; V361-T377 HydrophobicContact CB-CG2 4.03Å; V361-T377 PolarHBondContact N-OG1 2.91Å; V361-T377 PolarHBondContact O-N 2.83Å; V361-W387 HydrophobicContact CG2-CD2 4.47Å; V361-W387 HydrophobicContact CG2-CE3 4.35Å; V361-W387 HydrophobicContact CG2-CH2 3.91Å; V361-W387 HydrophobicContact CG2-CZ2 4.03Å; V361-W387 HydrophobicContact CG2-CZ3 4.08Å; V361-F408 HydrophobicContact CG1-CD1 4.28Å; V361-T409 CarbonylContact C-O 3.5Å; V361-T409 WeakPolarHBondContact CA-O 3.36Å; V361-L410 HydrophobicContact CG2-CD1 3.9Å; V361-L478 HydrophobicContact CG1-CD2 3.98Å; V361-L478 HydrophobicContact CG2-CD1 3.85Å |
| 362 | K | 96.7 | Very high | 91 | Very high | 64 Ų | 64 | 48.2 Ų | 48.2 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 137.1 | 168.3 | -74.9 | -77.9 | 179.4 | -174.5 | 0 | 109.2 | Y360 F408 T409 L458 F459 | Y360-K362 HydrophobicContact CD2-CD 4.34Å; Y360-K362 HydrophobicContact CD2-CG 3.76Å; Y360-K362 HydrophobicContact CE2-CD 4.07Å; Y360-K362 HydrophobicContact CE2-CG 3.38Å; K362-F408 WeakPolarHBondContact O-CA 3.29Å; K362-T409 PolarHBondContact N-O 2.94Å; K362-T409 PolarHBondContact O-N 3.25Å; K362-L458 HydrophobicContact CB-CD2 4.42Å; K362-L458 HydrophobicContact CD-CD2 4.36Å; K362-L458 HydrophobicContact CG-CD1 4.46Å; K362-L458 HydrophobicContact CG-CD2 4.06Å; K362-F459 HydrophobicContact CB-CE1 4Å; K362-F459 HydrophobicContact CB-CZ 3.71Å |
| 363 | V | 97.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 121 | -178.8 | -170 | 0 | 0 | 0 | 0 | 108.2 | I343 V345 V361 V374 H375 L391 F393 V406 S407 F408 | I343-V363 HydrophobicContact CD1-CG1 3.89Å; V345-V363 HydrophobicContact CG2-CG2 4.43Å; V361-V363 HydrophobicContact CG1-CG2 3.95Å; V363-V374 WeakPolarHBondContact O-CA 3.06Å; V363-H375 PolarHBondContact N-O 2.76Å; V363-H375 PolarHBondContact O-N 3.38Å; V363-L391 HydrophobicContact CB-CD1 4.17Å; V363-L391 HydrophobicContact CG2-CD1 3.65Å; V363-F393 HydrophobicContact CB-CE1 4.37Å; V363-F393 HydrophobicContact CB-CZ 3.83Å; V363-F393 HydrophobicContact CG1-CE1 4.24Å; V363-F393 HydrophobicContact CG1-CZ 3.58Å; V363-V406 HydrophobicContact CG1-CG2 3.4Å; V363-V406 VanDerWaalsContact CG1-CG2 3.4Å; V363-S407 CarbonylContact C-O 3.54Å; V363-S407 WeakPolarHBondContact CA-O 3.16Å; V363-F408 HydrophobicContact CB-CD1 4.38Å; V363-F408 HydrophobicContact CB-CE1 4.46Å; V363-F408 HydrophobicContact CG1-CD1 4Å; V363-F408 HydrophobicContact CG1-CE1 3.77Å; V363-F408 HydrophobicContact CG1-CZ 4.23Å; V363-F408 HydrophobicContact CG2-CD1 3.6Å; V363-F408 HydrophobicContact CG2-CE1 3.79Å |
| 364 | G | 96 | Very high | 92 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 145.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S373 V406 S407 F459 | G364-S373 CarbonylContact C-O 3.46Å; G364-S373 WeakPolarHBondContact CA-O 3.45Å; G364-V406 CarbonylContact O-C 3.57Å; G364-V406 WeakPolarHBondContact O-CA 3.37Å; G364-S407 PolarHBondContact N-O 2.78Å; G364-S407 PolarHBondContact O-N 2.72Å; G364-F459 VanDerWaalsContact N-CE1 3.31Å |
| 365 | I | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.5 | 171.7 | -57.4 | 176 | 0 | 0 | 0 | 107.2 | F341 L372 S373 F393 L395 H405 M432 | F341-I365 HydrophobicContact CD1-CD1 3.73Å; F341-I365 HydrophobicContact CE1-CD1 4.22Å; I365-L372 HydrophobicContact CG2-CB 4.31Å; I365-L372 HydrophobicContact CG2-CD1 4.2Å; I365-L372 WeakPolarHBondContact O-CB 2.96Å; I365-L372 PolarHBondContact O-N 3.05Å; I365-S373 PolarHBondContact N-O 3.47Å; I365-S373 PolarHBondContact O-N 2.9Å; I365-F393 HydrophobicContact CD1-CB 4.06Å; I365-F393 HydrophobicContact CD1-CD1 3.66Å; I365-F393 HydrophobicContact CD1-CD2 4.18Å; I365-F393 HydrophobicContact CD1-CE1 4.13Å; I365-F393 HydrophobicContact CD1-CG 3.69Å; I365-F393 HydrophobicContact CG1-CD1 4.06Å; I365-F393 HydrophobicContact CG1-CE1 4.11Å; I365-L395 HydrophobicContact CD1-CD2 4.03Å; I365-L395 HydrophobicContact CG2-CD2 3.92Å; I365-H405 WeakPolarHBondContact CA-O 3.05Å; I365-M432 HydrophobicContact CD1-CE 4.2Å; I365-M432 HydrophobicContact CG2-CE 4.44Å; I365-M432 HydrophobicContact CG2-SD 3.59Å; I365-M432 VanDerWaalsContact CG2-SD 3.59Å |
| 366 | F | 95.6 | Very high | 93.5 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 4% | 0.044 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 151.5 | -172.7 | -65.2 | -94.6 | 0 | 0 | 0 | 111.5 | E370 R371 A404 H405 F459 P461 | F366-E370 CarbonylContact C-O 3.55Å; F366-E370 WeakPolarHBondContact CA-O 3.19Å; F366-R371 HydrophobicContact CD1-CB 3.92Å; F366-R371 HydrophobicContact CD1-CG 4.28Å; F366-R371 HydrophobicContact CE1-CB 3.67Å; F366-R371 HydrophobicContact CE1-CG 3.77Å; F366-R371 HydrophobicContact CZ-CG 4.16Å; F366-A404 WeakPolarHBondContact O-CA 3.43Å; F366-H405 VanDerWaalsContact CB-CE1 3.48Å; F366-H405 WeakPolarHBondContact CB-CE1 3.33Å; F366-H405 PolarHBondContact N-O 3.02Å; F366-H405 PolarHBondContact O-N 2.91Å; F366-F459 HydrophobicContact CE2-CB 4.15Å; F366-F459 HydrophobicContact CE2-CD1 4.17Å; F366-F459 HydrophobicContact CE2-CD2 4.32Å; F366-F459 AromaticContact CE2-CG 3.97Å; F366-F459 HydrophobicContact CE2-CG 3.97Å; F366-F459 HydrophobicContact CZ-CB 3.82Å; F366-F459 HydrophobicContact CZ-CD1 4.45Å; F366-F459 AromaticContact CZ-CD2 3.84Å; F366-F459 HydrophobicContact CZ-CD2 3.84Å; F366-F459 HydrophobicContact CZ-CE2 4.48Å; F366-F459 AromaticContact CZ-CG 3.8Å; F366-F459 HydrophobicContact CZ-CG 3.8Å; F366-P461 HydrophobicContact CB-CB 4.38Å; F366-P461 HydrophobicContact CD1-CB 3.74Å; F366-P461 HydrophobicContact CD1-CG 4.28Å; F366-P461 HydrophobicContact CD2-CB 4.22Å; F366-P461 HydrophobicContact CE1-CB 4Å; F366-P461 HydrophobicContact CE1-CG 4.16Å; F366-P461 HydrophobicContact CE2-CB 4.45Å; F366-P461 HydrophobicContact CG-CB 3.87Å; F366-P461 HydrophobicContact CZ-CB 4.36Å |
| 367 | F | 94.2 | Very high | 94.4 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 2% | 0.022 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 101.4 | 165.8 | -178.8 | -96.9 | 0 | 0 | 0 | 107.8 | E370 L372 P401 W604 P637 D638 | F367-E370 PolarHBondContact N-O 2.98Å; F367-E370 WeakPolarHBondContact O-CB 2.89Å; F367-E370 PolarHBondContact O-N 2.99Å; F367-L372 HydrophobicContact CB-CD1 4.09Å; F367-L372 HydrophobicContact CB-CD2 4.24Å; F367-L372 HydrophobicContact CB-CG 4.26Å; F367-P401 HydrophobicContact CB-CG 4.2Å; F367-P401 HydrophobicContact CD2-CB 3.77Å; F367-P401 HydrophobicContact CD2-CG 3.5Å; F367-P401 HydrophobicContact CE2-CB 3.88Å; F367-P401 HydrophobicContact CE2-CG 4.15Å; F367-P401 HydrophobicContact CG-CG 4.06Å; F367-W604 HydrophobicContact CD1-CB 4.28Å; F367-W604 AromaticContact CD1-CD1 3.78Å; F367-W604 HydrophobicContact CD1-CD2 4.22Å; F367-W604 AromaticContact CD1-CG 3.83Å; F367-W604 HydrophobicContact CD1-CG 3.83Å; F367-W604 HydrophobicContact CE1-CB 4.35Å; F367-W604 AromaticContact CE1-CD1 3.47Å; F367-W604 VanDerWaalsContact CE1-CD1 3.47Å; F367-W604 AromaticContact CE1-CD2 3.42Å; F367-W604 HydrophobicContact CE1-CD2 3.42Å; F367-W604 VanDerWaalsContact CE1-CD2 3.42Å; F367-W604 AromaticContact CE1-CE2 3.36Å; F367-W604 HydrophobicContact CE1-CE3 4.1Å; F367-W604 AromaticContact CE1-CG 3.5Å; F367-W604 HydrophobicContact CE1-CG 3.5Å; F367-W604 AromaticContact CE1-CZ2 3.99Å; F367-W604 HydrophobicContact CE1-CZ2 3.99Å; F367-W604 AromaticContact CE1-NE1 3.42Å; F367-W604 HydrophobicContact CE2-CD2 4.07Å; F367-W604 AromaticContact CE2-CE3 3.96Å; F367-W604 HydrophobicContact CE2-CE3 3.96Å; F367-W604 HydrophobicContact CE2-CG 4.43Å; F367-W604 HydrophobicContact CE2-CZ3 4.39Å; F367-W604 HydrophobicContact CG-CB 4.48Å; F367-W604 HydrophobicContact CG-CG 4.44Å; F367-W604 AromaticContact CZ-CD2 3.31Å; F367-W604 HydrophobicContact CZ-CD2 3.31Å; F367-W604 AromaticContact CZ-CE2 3.49Å; F367-W604 VanDerWaalsContact CZ-CE2 3.49Å; F367-W604 AromaticContact CZ-CE3 3.49Å; F367-W604 HydrophobicContact CZ-CE3 3.49Å; F367-W604 VanDerWaalsContact CZ-CE3 3.49Å; F367-W604 AromaticContact CZ-CG 3.82Å; F367-W604 HydrophobicContact CZ-CG 3.82Å; F367-W604 AromaticContact CZ-CH2 3.95Å; F367-W604 HydrophobicContact CZ-CH2 3.95Å; F367-W604 AromaticContact CZ-CZ2 3.82Å; F367-W604 HydrophobicContact CZ-CZ2 3.82Å; F367-W604 AromaticContact CZ-CZ3 3.8Å; F367-W604 HydrophobicContact CZ-CZ3 3.8Å; F367-P637 HydrophobicContact CD1-CG 4.22Å; F367-P637 HydrophobicContact CD2-CG 3.82Å; F367-P637 HydrophobicContact CE1-CG 3.99Å; F367-P637 HydrophobicContact CE2-CG 3.62Å; F367-P637 HydrophobicContact CG-CG 4.14Å; F367-P637 HydrophobicContact CZ-CG 3.7Å; F367-D638 HydrophobicContact CE2-CB 4.46Å; F367-D638 HydrophobicContact CZ-CB 4.18Å |
| 368 | G | 90.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | -129.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | E370 V634 | G368-E370 VanDerWaalsContact C-N 3.32Å; G368-V634 WeakPolarHBondContact CA-O 3.47Å |
| 369 | P | 88.7 | Confident | 94.7 | Very high | 51 Ų | 51 | 36.4 Ų | 36.4 | 33% | 0.331 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -16.7 | 172.6 | 30.8 | -33.7 | 0 | 0 | 0 | 113.8 | L462 R635 L1041 | P369-L462 HydrophobicContact CB-CD2 4.11Å; P369-R635 HydrophobicContact CG-CG 4.3Å; P369-L1041 HydrophobicContact CB-CD1 4.27Å; P369-L1041 HydrophobicContact CG-CD1 4.49Å |
| 370 | E | 90 | Very high | 94.7 | Very high | 95 Ų | 95 | 38.2 Ų | 38.2 | 44% | 0.444 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 129.7 | -173.7 | -169.1 | -173.1 | 164.9 | 0 | 0 | 111.4 | F366 F367 G368 | F366-E370 CarbonylContact C-O 3.55Å; F366-E370 WeakPolarHBondContact CA-O 3.19Å; F367-E370 PolarHBondContact N-O 2.98Å; F367-E370 WeakPolarHBondContact O-CB 2.89Å; F367-E370 PolarHBondContact O-N 2.99Å; G368-E370 VanDerWaalsContact C-N 3.32Å |
| 371 | R | 93.7 | Very high | 94.5 | Very high | 173 Ų | 173 | 39.2 Ų | 39.2 | 65% | 0.653 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 113.3 | 179.3 | -174.6 | -176.7 | 75.4 | 173.9 | -3.3 | 110.9 | F366 V374 | F366-R371 HydrophobicContact CD1-CB 3.92Å; F366-R371 HydrophobicContact CD1-CG 4.28Å; F366-R371 HydrophobicContact CE1-CB 3.67Å; F366-R371 HydrophobicContact CE1-CG 3.77Å; F366-R371 HydrophobicContact CZ-CG 4.16Å; R371-V374 HydrophobicContact CG-CG2 3.77Å |
| 372 | L | 94.8 | Very high | 94.1 | Very high | 33 Ų | 33 | 40 Ų | 40 | 17% | 0.173 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -45.8 | -179.6 | -55.6 | -174.5 | 0 | 0 | 0 | 113 | I365 F367 L395 P401 T605 | I365-L372 HydrophobicContact CG2-CB 4.31Å; I365-L372 HydrophobicContact CG2-CD1 4.2Å; I365-L372 WeakPolarHBondContact O-CB 2.96Å; I365-L372 PolarHBondContact O-N 3.05Å; F367-L372 HydrophobicContact CB-CD1 4.09Å; F367-L372 HydrophobicContact CB-CD2 4.24Å; F367-L372 HydrophobicContact CB-CG 4.26Å; L372-L395 HydrophobicContact CB-CD2 4.42Å; L372-L395 HydrophobicContact CD1-CD2 4.41Å; L372-P401 HydrophobicContact CD1-CG 3.97Å; L372-T605 HydrophobicContact CD1-CG2 4.34Å; L372-T605 HydrophobicContact CD2-CG2 3.87Å |
| 373 | S | 95 | Very high | 93.6 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 150.3 | -178.8 | -164.9 | 0 | 0 | 0 | 0 | 111 | G364 I365 | G364-S373 CarbonylContact C-O 3.46Å; G364-S373 WeakPolarHBondContact CA-O 3.45Å; I365-S373 PolarHBondContact N-O 3.47Å; I365-S373 PolarHBondContact O-N 2.9Å |
| 374 | V | 95.2 | Very high | 93.2 | Very high | 56 Ų | 56 | 45.9 Ų | 45.9 | 34% | 0.339 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 137.6 | 176.7 | 174.9 | 0 | 0 | 0 | 0 | 110.1 | V363 R371 F459 | V363-V374 WeakPolarHBondContact O-CA 3.06Å; R371-V374 HydrophobicContact CG-CG2 3.77Å; V374-F459 HydrophobicContact CG1-CE2 4.01Å; V374-F459 HydrophobicContact CG1-CZ 4.04Å; V374-F459 HydrophobicContact CG2-CE2 4.1Å; V374-F459 HydrophobicContact CG2-CZ 4.49Å |
| 375 | H | 95.6 | Very high | 93.1 | Very high | 74 Ų | 74 | 46.7 Ų | 46.7 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 168.2 | 169.1 | -147.1 | -70.6 | 0 | 0 | 0 | 109.4 | V363 L391 E392 F393 | V363-H375 PolarHBondContact N-O 2.76Å; V363-H375 PolarHBondContact O-N 3.38Å; H375-L391 HydrophobicContact CB-CB 4.27Å; H375-L391 HydrophobicContact CB-CD1 4.37Å; H375-E392 PolarHBondContact CD2-O 2.94Å; H375-F393 HydrophobicContact CB-CD1 4.17Å; H375-F393 HydrophobicContact CB-CE1 3.69Å; H375-F393 HydrophobicContact CB-CZ 3.96Å |
| 376 | G | 95.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 13% | 0.134 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 163 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111 | V361 | V361-G376 CarbonylContact O-C 3.44Å; V361-G376 WeakPolarHBondContact O-CA 3.38Å |
| 377 | T | 97.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 9% | 0.086 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -78 | 166.8 | 169.1 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | V345 V361 W387 E389 L391 | V345-T377 HydrophobicContact CB-CG2 3.74Å; V345-T377 HydrophobicContact CG1-CG2 3.93Å; V345-T377 HydrophobicContact CG2-CG2 3.76Å; V361-T377 HydrophobicContact CB-CG2 4.03Å; V361-T377 PolarHBondContact N-OG1 2.91Å; V361-T377 PolarHBondContact O-N 2.83Å; T377-W387 VanDerWaalsContact CB-CD1 3.42Å; T377-W387 HydrophobicContact CG2-CB 4.44Å; T377-W387 HydrophobicContact CG2-CG 4.11Å; T377-W387 VanDerWaalsContact OG1-CD1 3.31Å; T377-W387 PolarHBondContact OG1-NE1 2.84Å; T377-W387 VanDerWaalsContact OG1-NE1 3.1Å; T377-E389 WeakPolarHBondContact CA-OE1 3.07Å; T377-E389 WeakPolarHBondContact CA-OE2 3.5Å; T377-E389 WeakPolarHBondContact CB-OE2 3.4Å; T377-L391 HydrophobicContact CG2-CD1 4.3Å; T377-L391 HydrophobicContact CG2-CD2 4.22Å |
| 378 | S | 94.5 | Very high | 93.3 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 51% | 0.51 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 150.8 | 162.2 | -55.7 | 0 | 0 | 0 | 0 | 111 | W387 E389 | S378-W387 VanDerWaalsContact O-CD1 3.27Å; S378-W387 PolarHBondContact O-NE1 2.85Å; S378-E389 PolarHBondContact N-OE2 3.33Å; S378-E389 PolarHBondContact OG-OE2 3.41Å |
| 379 | A | 93.9 | Very high | 93.6 | Very high | 60 Ų | 60 | 60.5 Ų | 60.5 | 50% | 0.496 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 130 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F358 A359 | F358-A379 HydrophobicContact CB-CB 4.36Å; A359-A379 WeakPolarHBondContact O-CA 3.44Å |
| 380 | I | 94.3 | Very high | 93.9 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 158.8 | 179.8 | 66.5 | 177.5 | 0 | 0 | 0 | 110.5 | F358 A359 L385 W387 | F358-I380 CarbonylContact C-O 3.55Å; F358-I380 VanDerWaalsContact CA-O 3.23Å; F358-I380 WeakPolarHBondContact CA-O 3.43Å; A359-I380 PolarHBondContact N-O 3.42Å; A359-I380 PolarHBondContact O-N 3.08Å; I380-L385 HydrophobicContact CG1-CD2 4.45Å; I380-W387 HydrophobicContact CD1-CD2 3.53Å; I380-W387 HydrophobicContact CD1-CE3 4.08Å; I380-W387 HydrophobicContact CD1-CG 3.81Å; I380-W387 HydrophobicContact CD1-CH2 4.35Å; I380-W387 HydrophobicContact CD1-CZ2 3.84Å; I380-W387 HydrophobicContact CD1-CZ3 4.45Å; I380-W387 HydrophobicContact CG1-CD2 4.29Å; I380-W387 HydrophobicContact CG1-CZ2 3.85Å |
| 381 | S | 91.5 | Very high | 94.2 | Very high | 44 Ų | 44 | 57 Ų | 57 | 31% | 0.308 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 138.4 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | S383 N384 | S381-S383 PolarHBondContact O-N 3.02Å; S381-S383 VanDerWaalsContact O-N 3.11Å; S381-S383 PolarHBondContact OG-N 3.13Å; S381-S383 PolarHBondContact OG-OG 3.26Å; S381-N384 PolarHBondContact O-N 2.96Å |
| 382 | C | 89.7 | Confident | 94.2 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 11% | 0.108 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13.3 | 174.8 | -73.9 | 0 | 0 | 0 | 0 | 114.2 | V353 T354 D357 F358 N384 | V353-C382 HydrophobicContact CB-CB 4.39Å; V353-C382 HydrophobicContact CG2-CB 3.64Å; V353-C382 VanDerWaalsContact CG2-SG 3.59Å; T354-C382 WeakPolarHBondContact O-CB 3.5Å; D357-C382 VanDerWaalsContact C-SG 3.53Å; D357-C382 VanDerWaalsContact O-CB 3.29Å; D357-C382 WeakPolarHBondContact O-CB 3.29Å; D357-C382 PolarHBondContact O-N 3.34Å; D357-C382 PolarHBondContact O-SG 3.28Å; F358-C382 VanDerWaalsContact C-SG 3.5Å; C382-N384 VanDerWaalsContact C-N 3.26Å; C382-N384 PolarHBondContact O-N 2.99Å |
| 383 | S | 86 | Confident | 94.2 | Very high | 91 Ų | 91 | 51.1 Ų | 51.1 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -28.2 | 174.3 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | S381 | S381-S383 PolarHBondContact O-N 3.02Å; S381-S383 VanDerWaalsContact O-N 3.11Å; S381-S383 PolarHBondContact OG-N 3.13Å; S381-S383 PolarHBondContact OG-OG 3.26Å |
| 384 | N | 89.8 | Confident | 94 | Very high | 97 Ų | 97 | 57 Ų | 57 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | trans | -151.3 | 93 | 179.2 | -177.9 | 23.3 | 0 | 0 | 0 | 111 | S381 C382 R386 | S381-N384 PolarHBondContact O-N 2.96Å; C382-N384 VanDerWaalsContact C-N 3.26Å; C382-N384 PolarHBondContact O-N 2.99Å; N384-R386 PolarHBondContact O-N 3.38Å; N384-R386 WeakPolarHBondContact OD1-CD 3.48Å; N384-R386 WeakPolarHBondContact OD1-CG 3.19Å | ||
| 385 | L | 93.7 | Very high | 93.9 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.089 | 30% | 0.304 | C | S | . | . | trans | -78.5 | 63.9 | -176.5 | -62.9 | -179.7 | 0 | 0 | 0 | 113 | A347 A348 V351 A359 I380 W387 | A347-L385 CarbonylContact C-O 3.57Å; A347-L385 WeakPolarHBondContact CA-O 3.23Å; A347-L385 WeakPolarHBondContact CB-O 3.28Å; A348-L385 HydrophobicContact CB-CB 4.22Å; A348-L385 HydrophobicContact CB-CD1 4.28Å; A348-L385 PolarHBondContact N-O 3.04Å; V351-L385 HydrophobicContact CB-CD1 3.7Å; V351-L385 HydrophobicContact CG1-CD1 4.02Å; V351-L385 HydrophobicContact CG2-CD1 3.59Å; A359-L385 HydrophobicContact CB-CD2 3.55Å; I380-L385 HydrophobicContact CG1-CD2 4.45Å; L385-W387 HydrophobicContact CB-CH2 4.06Å; L385-W387 HydrophobicContact CB-CZ3 4.04Å; L385-W387 HydrophobicContact CD2-CH2 3.96Å; L385-W387 HydrophobicContact CD2-CZ2 4.33Å | ||
| 386 | R | 96.3 | Very high | 93.7 | Very high | 145 Ų | 145 | 52 Ų | 52 | 55% | 0.547 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 108 | 176.1 | -67.6 | -176.6 | 178.8 | -143.5 | 1.5 | 110.7 | A347 N384 | A347-R386 HydrophobicContact CB-CG 3.95Å; N384-R386 PolarHBondContact O-N 3.38Å; N384-R386 WeakPolarHBondContact OD1-CD 3.48Å; N384-R386 WeakPolarHBondContact OD1-CG 3.19Å |
| 387 | W | 96.7 | Very high | 93.5 | Very high | 23 Ų | 23 | 51.9 Ų | 51.9 | 9% | 0.087 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -48.7 | 179.3 | -69.2 | -89.8 | 0 | 0 | 0 | 112.5 | V345 I346 A348 A359 V361 T377 S378 I380 L385 E389 L410 | V345-W387 HydrophobicContact CG1-CB 4.46Å; V345-W387 HydrophobicContact CG1-CD2 4.41Å; V345-W387 HydrophobicContact CG1-CE3 4.16Å; I346-W387 PolarHBondContact O-N 3.17Å; A348-W387 HydrophobicContact CB-CH2 4.16Å; A348-W387 HydrophobicContact CB-CZ3 3.76Å; A359-W387 HydrophobicContact CB-CH2 4.48Å; A359-W387 HydrophobicContact CB-CZ2 4.16Å; V361-W387 HydrophobicContact CG2-CD2 4.47Å; V361-W387 HydrophobicContact CG2-CE3 4.35Å; V361-W387 HydrophobicContact CG2-CH2 3.91Å; V361-W387 HydrophobicContact CG2-CZ2 4.03Å; V361-W387 HydrophobicContact CG2-CZ3 4.08Å; T377-W387 VanDerWaalsContact CB-CD1 3.42Å; T377-W387 HydrophobicContact CG2-CB 4.44Å; T377-W387 HydrophobicContact CG2-CG 4.11Å; T377-W387 VanDerWaalsContact OG1-CD1 3.31Å; T377-W387 PolarHBondContact OG1-NE1 2.84Å; T377-W387 VanDerWaalsContact OG1-NE1 3.1Å; S378-W387 VanDerWaalsContact O-CD1 3.27Å; S378-W387 PolarHBondContact O-NE1 2.85Å; I380-W387 HydrophobicContact CD1-CD2 3.53Å; I380-W387 HydrophobicContact CD1-CE3 4.08Å; I380-W387 HydrophobicContact CD1-CG 3.81Å; I380-W387 HydrophobicContact CD1-CH2 4.35Å; I380-W387 HydrophobicContact CD1-CZ2 3.84Å; I380-W387 HydrophobicContact CD1-CZ3 4.45Å; I380-W387 HydrophobicContact CG1-CD2 4.29Å; I380-W387 HydrophobicContact CG1-CZ2 3.85Å; L385-W387 HydrophobicContact CB-CH2 4.06Å; L385-W387 HydrophobicContact CB-CZ3 4.04Å; L385-W387 HydrophobicContact CD2-CH2 3.96Å; L385-W387 HydrophobicContact CD2-CZ2 4.33Å; W387-E389 HydrophobicContact CB-CB 4.18Å; W387-E389 PolarHBondContact O-N 3.09Å; W387-E389 VanDerWaalsContact O-N 3.17Å; W387-L410 HydrophobicContact CH2-CD1 3.86Å; W387-L410 HydrophobicContact CZ2-CD1 4.47Å |
| 388 | N | 95.8 | Very high | 93.2 | Very high | 92 Ų | 92 | 53.6 Ų | 53.6 | 49% | 0.492 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.8 | 30.6 | -168.7 | -63.8 | -62 | 0 | 0 | 0 | 114.1 | V345 I346 | V345-N388 CarbonylContact O-C 3.45Å; V345-N388 VanDerWaalsContact O-CA 3.29Å; V345-N388 WeakPolarHBondContact O-CA 3.35Å; V345-N388 PolarHBondContact O-N 2.68Å; I346-N388 PolarHBondContact O-N 3.5Å |
| 389 | E | 96.5 | Very high | 93.2 | Very high | 48 Ų | 48 | 52.5 Ų | 52.5 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 136.7 | -173.9 | -167.1 | 178.3 | 145.5 | 0 | 0 | 110.4 | K344 V345 T377 S378 W387 L391 | K344-E389 CarbonylContact C-O 3.58Å; K344-E389 WeakPolarHBondContact CA-O 3.3Å; V345-E389 PolarHBondContact N-O 3.29Å; V345-E389 PolarHBondContact O-N 3.13Å; V345-E389 VanDerWaalsContact O-N 3.09Å; T377-E389 WeakPolarHBondContact CA-OE1 3.07Å; T377-E389 WeakPolarHBondContact CA-OE2 3.5Å; T377-E389 WeakPolarHBondContact CB-OE2 3.4Å; S378-E389 PolarHBondContact N-OE2 3.33Å; S378-E389 PolarHBondContact OG-OE2 3.41Å; W387-E389 HydrophobicContact CB-CB 4.18Å; W387-E389 PolarHBondContact O-N 3.09Å; W387-E389 VanDerWaalsContact O-N 3.17Å; E389-L391 HydrophobicContact CG-CD2 4.04Å |
| 390 | V | 95.9 | Very high | 93.2 | Very high | 73 Ų | 73 | 49.8 Ų | 49.8 | 44% | 0.442 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.9 | 174.9 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | R342 K344 F484 | R342-V390 HydrophobicContact CB-CG1 4.36Å; K344-V390 HydrophobicContact CB-CG2 4.28Å; K344-V390 HydrophobicContact CD-CG2 4.39Å; K344-V390 HydrophobicContact CG-CG2 4.06Å; V390-F484 HydrophobicContact CB-CZ 4.38Å; V390-F484 HydrophobicContact CG1-CE2 3.61Å; V390-F484 HydrophobicContact CG1-CZ 3.7Å; V390-F484 HydrophobicContact CG2-CE1 4.47Å; V390-F484 HydrophobicContact CG2-CE2 4.44Å; V390-F484 HydrophobicContact CG2-CZ 3.8Å |
| 391 | L | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.3 | 176.2 | -47.9 | -175.7 | 0 | 0 | 0 | 108.6 | R342 I343 V345 V363 H375 T377 E389 F393 | R342-L391 VanDerWaalsContact CA-O 3.24Å; R342-L391 WeakPolarHBondContact CA-O 3.18Å; I343-L391 PolarHBondContact N-O 2.72Å; I343-L391 PolarHBondContact O-N 3.22Å; V345-L391 HydrophobicContact CG2-CD1 3.76Å; V345-L391 HydrophobicContact CG2-CG 4.2Å; V363-L391 HydrophobicContact CB-CD1 4.17Å; V363-L391 HydrophobicContact CG2-CD1 3.65Å; H375-L391 HydrophobicContact CB-CB 4.27Å; H375-L391 HydrophobicContact CB-CD1 4.37Å; T377-L391 HydrophobicContact CG2-CD1 4.3Å; T377-L391 HydrophobicContact CG2-CD2 4.22Å; E389-L391 HydrophobicContact CG-CD2 4.04Å; L391-F393 HydrophobicContact CB-CE2 3.98Å; L391-F393 HydrophobicContact CB-CZ 4.34Å |
| 392 | E | 94.3 | Very high | 93.3 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 38% | 0.379 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 116.4 | 175.3 | 179.8 | 161 | -162.9 | 0 | 0 | 109.4 | N340 R342 H375 | N340-E392 HydrophobicContact CB-CG 3.98Å; R342-E392 HydrophobicContact CG-CB 4.1Å; R342-E392 HydrophobicContact CG-CG 4.04Å; R342-E392 IonicContact CZ-OE1 2.74Å; R342-E392 IonicContact CZ-OE2 2.95Å; R342-E392 IonicContact NE-OE1 3.73Å; R342-E392 PolarHBondContact NE-OE1 3.44Å; R342-E392 IonicContact NE-OE2 3.63Å; R342-E392 PolarHBondContact NE-OE2 3.26Å; R342-E392 VanDerWaalsContact NH2-CD 3.28Å; R342-E392 IonicContact NH2-OE1 3.74Å; R342-E392 PolarHBondContact NH2-OE1 3.44Å; R342-E392 IonicContact NH2-OE2 2.9Å; R342-E392 PolarHBondContact NH2-OE2 2.88Å; H375-E392 PolarHBondContact CD2-O 2.94Å |
| 393 | F | 94 | Very high | 93.5 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 142.2 | -177.1 | -65.2 | -97.7 | 0 | 0 | 0 | 109.8 | N340 F341 I343 V363 I365 H375 L391 L395 | N340-F393 VanDerWaalsContact CB-O 3.29Å; N340-F393 WeakPolarHBondContact CB-O 3.43Å; N340-F393 PolarHBondContact ND2-O 2.66Å; F341-F393 HydrophobicContact CD1-CD2 4.05Å; F341-F393 PolarHBondContact O-N 2.77Å; I343-F393 HydrophobicContact CB-CE2 4.33Å; I343-F393 HydrophobicContact CD1-CE2 3.82Å; I343-F393 HydrophobicContact CD1-CZ 4.16Å; I343-F393 HydrophobicContact CG1-CE2 4.09Å; V363-F393 HydrophobicContact CB-CE1 4.37Å; V363-F393 HydrophobicContact CB-CZ 3.83Å; V363-F393 HydrophobicContact CG1-CE1 4.24Å; V363-F393 HydrophobicContact CG1-CZ 3.58Å; I365-F393 HydrophobicContact CD1-CB 4.06Å; I365-F393 HydrophobicContact CD1-CD1 3.66Å; I365-F393 HydrophobicContact CD1-CD2 4.18Å; I365-F393 HydrophobicContact CD1-CE1 4.13Å; I365-F393 HydrophobicContact CD1-CG 3.69Å; I365-F393 HydrophobicContact CG1-CD1 4.06Å; I365-F393 HydrophobicContact CG1-CE1 4.11Å; H375-F393 HydrophobicContact CB-CD1 4.17Å; H375-F393 HydrophobicContact CB-CE1 3.69Å; H375-F393 HydrophobicContact CB-CZ 3.96Å; L391-F393 HydrophobicContact CB-CE2 3.98Å; L391-F393 HydrophobicContact CB-CZ 4.34Å; F393-L395 HydrophobicContact CB-CB 4.44Å; F393-L395 PolarHBondContact O-N 3.44Å |
| 394 | D | 91.9 | Very high | 93.9 | Very high | 141 Ų | 141 | 42.2 Ų | 42.2 | 75% | 0.754 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 59.3 | 170.3 | -165.8 | 26.8 | 0 | 0 | 0 | 110.8 | ||
| 395 | L | 91.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 98.4 | 179.4 | -175.8 | 64 | 0 | 0 | 0 | 108.4 | F341 I365 L372 F393 Q399 I400 T605 | F341-L395 PolarHBondContact N-O 2.95Å; I365-L395 HydrophobicContact CD1-CD2 4.03Å; I365-L395 HydrophobicContact CG2-CD2 3.92Å; L372-L395 HydrophobicContact CB-CD2 4.42Å; L372-L395 HydrophobicContact CD1-CD2 4.41Å; F393-L395 HydrophobicContact CB-CB 4.44Å; F393-L395 PolarHBondContact O-N 3.44Å; L395-Q399 HydrophobicContact CD1-CB 4.04Å; L395-I400 HydrophobicContact CD2-CG1 3.98Å; L395-I400 HydrophobicContact CG-CG1 4.15Å; L395-T605 HydrophobicContact CD1-CG2 4.15Å |
| 396 | P | 92.2 | Very high | 94.3 | Very high | 20 Ų | 20 | 37.4 Ų | 37.4 | 13% | 0.13 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 141.4 | 171.6 | -26.5 | 33.4 | 0 | 0 | 0 | 112.6 | Y398 Q399 | P396-Y398 VanDerWaalsContact C-N 3.28Å; P396-Y398 HydrophobicContact CB-CD1 3.49Å; P396-Y398 VanDerWaalsContact CB-CD1 3.49Å; P396-Y398 HydrophobicContact CB-CE1 3.3Å; P396-Y398 HydrophobicContact CG-CE1 3.96Å; P396-Y398 PolarHBondContact O-N 2.94Å; P396-Q399 HydrophobicContact CB-CG 4.28Å; P396-Q399 WeakPolarHBondContact O-CB 3.43Å; P396-Q399 PolarHBondContact O-N 3.47Å |
| 397 | I | 92.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 30.5 Ų | 30.5 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -57.9 | -38.4 | -175.7 | -72.9 | 169.7 | 0 | 0 | 0 | 112.6 | M334 V337 S339 F341 Q399 I400 L439 I489 | M334-I397 HydrophobicContact CG-CG2 3.53Å; V337-I397 HydrophobicContact CB-CB 4.03Å; V337-I397 HydrophobicContact CB-CG2 3.82Å; V337-I397 HydrophobicContact CG1-CB 3.85Å; V337-I397 HydrophobicContact CG1-CD1 3.69Å; V337-I397 HydrophobicContact CG1-CG1 4.33Å; V337-I397 HydrophobicContact CG1-CG2 3.98Å; S339-I397 WeakPolarHBondContact O-CG1 3.36Å; S339-I397 PolarHBondContact O-N 2.96Å; F341-I397 HydrophobicContact CB-CG1 4.31Å; F341-I397 HydrophobicContact CD2-CG1 4.47Å; I397-Q399 PolarHBondContact O-N 2.69Å; I397-Q399 VanDerWaalsContact O-N 3.16Å; I397-I400 HydrophobicContact CB-CD1 4.35Å; I397-I400 HydrophobicContact CG1-CD1 4.23Å; I397-I400 HydrophobicContact CG2-CD1 4.47Å; I397-I400 PolarHBondContact O-N 3.34Å; I397-L439 HydrophobicContact CD1-CD2 4.29Å; I397-L439 HydrophobicContact CG1-CD2 4.46Å; I397-L439 HydrophobicContact CG2-CD2 4.17Å; I397-I489 HydrophobicContact CD1-CD1 4.09Å; I397-I489 HydrophobicContact CG2-CG2 4.24Å |
| 398 | Y | 90.9 | Very high | 94.2 | Very high | 50 Ų | 50 | 29.4 Ų | 29.4 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -64.1 | -17.5 | 178 | 79.6 | -87.1 | 0 | 0 | 0 | 114.6 | M334 V337 P396 T607 | M334-Y398 WeakPolarHBondContact O-CA 3.11Å; V337-Y398 PolarHBondContact O-N 3.23Å; V337-Y398 VanDerWaalsContact O-N 3.14Å; P396-Y398 VanDerWaalsContact C-N 3.28Å; P396-Y398 HydrophobicContact CB-CD1 3.49Å; P396-Y398 VanDerWaalsContact CB-CD1 3.49Å; P396-Y398 HydrophobicContact CB-CE1 3.3Å; P396-Y398 HydrophobicContact CG-CE1 3.96Å; P396-Y398 PolarHBondContact O-N 2.94Å; Y398-T607 VanDerWaalsContact CD2-OG1 3.22Å; Y398-T607 WeakPolarHBondContact CD2-OG1 3.48Å; Y398-T607 PolarHBondContact O-OG1 3.49Å |
| 399 | Q | 93.1 | Very high | 94.3 | Very high | 51 Ų | 51 | 25.1 Ų | 25.1 | 24% | 0.238 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -95.1 | -4.1 | 179.5 | -64.8 | -171.8 | -27.9 | 0 | 0 | 113.3 | L395 P396 I397 P401 T605 | L395-Q399 HydrophobicContact CD1-CB 4.04Å; P396-Q399 HydrophobicContact CB-CG 4.28Å; P396-Q399 WeakPolarHBondContact O-CB 3.43Å; P396-Q399 PolarHBondContact O-N 3.47Å; I397-Q399 PolarHBondContact O-N 2.69Å; I397-Q399 VanDerWaalsContact O-N 3.16Å; Q399-P401 VanDerWaalsContact O-CD 3.25Å; Q399-P401 WeakPolarHBondContact O-CD 3.45Å; Q399-T605 VanDerWaalsContact CB-O 3.32Å; Q399-T605 WeakPolarHBondContact CB-O 3.49Å; Q399-T605 VanDerWaalsContact CG-O 3.25Å; Q399-T605 WeakPolarHBondContact CG-O 3.46Å; Q399-T605 WeakPolarHBondContact O-CA 3.36Å |
| 400 | I | 94.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | trans | -70.9 | 118.3 | 177.9 | -61.1 | 168.3 | 0 | 0 | 0 | 108.6 | M334 F341 L395 I397 A404 M432 L439 | M334-I400 WeakPolarHBondContact CE-O 3.37Å; F341-I400 HydrophobicContact CB-CD1 4.13Å; F341-I400 HydrophobicContact CD2-CD1 4.03Å; F341-I400 HydrophobicContact CG-CD1 4.19Å; L395-I400 HydrophobicContact CD2-CG1 3.98Å; L395-I400 HydrophobicContact CG-CG1 4.15Å; I397-I400 HydrophobicContact CB-CD1 4.35Å; I397-I400 HydrophobicContact CG1-CD1 4.23Å; I397-I400 HydrophobicContact CG2-CD1 4.47Å; I397-I400 PolarHBondContact O-N 3.34Å; I400-A404 HydrophobicContact CG2-CB 3.75Å; I400-M432 HydrophobicContact CD1-CE 3.65Å; I400-M432 HydrophobicContact CG1-CE 4.26Å; I400-M432 HydrophobicContact CG2-CB 4.36Å; I400-M432 HydrophobicContact CG2-CE 4.09Å; I400-M432 HydrophobicContact CG2-SD 3.71Å; I400-L439 HydrophobicContact CD1-CD1 4.18Å | ||
| 401 | P | 94.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.032 | 10% | 0.1 | C | C | . | . | trans | -73.5 | 157 | 177.6 | 27.8 | -31.1 | 0 | 0 | 0 | 111.8 | F367 L372 Q399 G403 A404 W604 | F367-P401 HydrophobicContact CB-CG 4.2Å; F367-P401 HydrophobicContact CD2-CB 3.77Å; F367-P401 HydrophobicContact CD2-CG 3.5Å; F367-P401 HydrophobicContact CE2-CB 3.88Å; F367-P401 HydrophobicContact CE2-CG 4.15Å; F367-P401 HydrophobicContact CG-CG 4.06Å; L372-P401 HydrophobicContact CD1-CG 3.97Å; Q399-P401 VanDerWaalsContact O-CD 3.25Å; Q399-P401 WeakPolarHBondContact O-CD 3.45Å; P401-G403 VanDerWaalsContact C-N 3.28Å; P401-G403 PolarHBondContact O-N 2.89Å; P401-A404 HydrophobicContact CG-CB 4Å; P401-A404 VanDerWaalsContact O-CB 3.24Å; P401-A404 WeakPolarHBondContact O-CB 3.46Å; P401-A404 PolarHBondContact O-N 3.24Å; P401-W604 HydrophobicContact CB-CB 4.12Å; P401-W604 HydrophobicContact CB-CE3 4.39Å; P401-W604 HydrophobicContact CG-CB 4.23Å | ||
| 402 | L | 93.3 | Very high | 94 | Very high | 11 Ų | 11 | 19.5 Ų | 19.5 | 6% | 0.058 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -37.8 | -173.8 | -176.1 | 57.9 | 0 | 0 | 0 | 113.3 | A404 I433 F491 N639 F640 | L402-A404 VanDerWaalsContact C-N 3.31Å; L402-A404 PolarHBondContact O-N 2.88Å; L402-I433 HydrophobicContact CD1-CB 4.4Å; L402-I433 HydrophobicContact CD1-CD1 3.76Å; L402-I433 HydrophobicContact CD1-CG2 4.02Å; L402-F491 HydrophobicContact CB-CE1 4.49Å; L402-F491 HydrophobicContact CB-CE2 3.88Å; L402-F491 HydrophobicContact CB-CZ 3.85Å; L402-F491 HydrophobicContact CD1-CD1 4.12Å; L402-F491 HydrophobicContact CD1-CD2 3.9Å; L402-F491 HydrophobicContact CD1-CE1 4.29Å; L402-F491 HydrophobicContact CD1-CE2 4.08Å; L402-F491 HydrophobicContact CD1-CG 3.93Å; L402-F491 HydrophobicContact CD1-CZ 4.27Å; L402-F491 HydrophobicContact CD2-CE1 4.16Å; L402-F491 HydrophobicContact CD2-CZ 4.32Å; L402-F491 HydrophobicContact CG-CE2 4.48Å; L402-F491 HydrophobicContact CG-CZ 4.38Å; L402-N639 HydrophobicContact CD2-CB 3.92Å; L402-F640 HydrophobicContact CD2-CD2 3.85Å; L402-F640 HydrophobicContact CD2-CE2 3.64Å |
| 403 | G | 93.2 | Very high | 93.8 | Very high | 13 Ų | 13 | 16 Ų | 16 | 13% | 0.134 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 9.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P401 | P401-G403 VanDerWaalsContact C-N 3.28Å; P401-G403 PolarHBondContact O-N 2.89Å |
| 404 | A | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 142.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F366 I400 P401 L402 M432 | F366-A404 WeakPolarHBondContact O-CA 3.43Å; I400-A404 HydrophobicContact CG2-CB 3.75Å; P401-A404 HydrophobicContact CG-CB 4Å; P401-A404 VanDerWaalsContact O-CB 3.24Å; P401-A404 WeakPolarHBondContact O-CB 3.46Å; P401-A404 PolarHBondContact O-N 3.24Å; L402-A404 VanDerWaalsContact C-N 3.31Å; L402-A404 PolarHBondContact O-N 2.88Å; A404-M432 HydrophobicContact CB-CG 4.34Å; A404-M432 HydrophobicContact CB-SD 3.73Å; A404-M432 PolarHBondContact O-N 3.39Å |
| 405 | H | 95.3 | Very high | 93 | Very high | 12 Ų | 12 | 19.6 Ų | 19.6 | 6% | 0.056 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 154.6 | 172.9 | 69.5 | -90.1 | 0 | 0 | 0 | 111.4 | I365 F366 S407 L430 P461 L465 | I365-H405 WeakPolarHBondContact CA-O 3.05Å; F366-H405 VanDerWaalsContact CB-CE1 3.48Å; F366-H405 WeakPolarHBondContact CB-CE1 3.33Å; F366-H405 PolarHBondContact N-O 3.02Å; F366-H405 PolarHBondContact O-N 2.91Å; H405-S407 PolarHBondContact CD2-OG 3.24Å; H405-L430 CarbonylContact C-O 3.55Å; H405-L430 VanDerWaalsContact CA-O 3.23Å; H405-L430 WeakPolarHBondContact CA-O 3.31Å; H405-L430 VanDerWaalsContact CB-O 3.29Å; H405-L430 WeakPolarHBondContact CB-O 3.44Å; H405-P461 PolarHBondContact NE2-O 3.44Å; H405-L465 HydrophobicContact CB-CD2 3.76Å |
| 406 | V | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.6 | 171.6 | 58.6 | 0 | 0 | 0 | 0 | 109.6 | I343 V363 G364 F408 N429 L430 I440 F482 | I343-V406 HydrophobicContact CD1-CG2 3.81Å; V363-V406 HydrophobicContact CG1-CG2 3.4Å; V363-V406 VanDerWaalsContact CG1-CG2 3.4Å; G364-V406 CarbonylContact O-C 3.57Å; G364-V406 WeakPolarHBondContact O-CA 3.37Å; V406-F408 HydrophobicContact CB-CE2 4.26Å; V406-F408 HydrophobicContact CG1-CE2 3.65Å; V406-F408 HydrophobicContact CG1-CZ 4.24Å; V406-F408 HydrophobicContact CG2-CD2 4.19Å; V406-F408 HydrophobicContact CG2-CE1 4.46Å; V406-F408 HydrophobicContact CG2-CE2 3.62Å; V406-F408 HydrophobicContact CG2-CZ 3.77Å; V406-N429 CarbonylContact O-C 3.6Å; V406-N429 WeakPolarHBondContact O-CA 3.35Å; V406-L430 HydrophobicContact CG1-CB 3.91Å; V406-L430 WeakPolarHBondContact CG1-O 3.24Å; V406-L430 PolarHBondContact N-O 2.94Å; V406-L430 PolarHBondContact O-N 2.85Å; V406-I440 HydrophobicContact CG1-CD1 4.46Å; V406-F482 HydrophobicContact CG1-CE1 4.12Å; V406-F482 HydrophobicContact CG1-CZ 4.3Å |
| 407 | S | 95.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.8 | 174.9 | -62.8 | 0 | 0 | 0 | 0 | 110 | V363 G364 H405 I428 N429 F459 | V363-S407 CarbonylContact C-O 3.54Å; V363-S407 WeakPolarHBondContact CA-O 3.16Å; G364-S407 PolarHBondContact N-O 2.78Å; G364-S407 PolarHBondContact O-N 2.72Å; H405-S407 PolarHBondContact CD2-OG 3.24Å; S407-I428 WeakPolarHBondContact CA-O 3.4Å; S407-N429 WeakPolarHBondContact CA-OD1 3.4Å; S407-N429 WeakPolarHBondContact CB-OD1 3.31Å; S407-N429 PolarHBondContact OG-OD1 3.38Å; S407-F459 WeakPolarHBondContact O-CE1 3.34Å |
| 408 | F | 96.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 135.7 | 172.8 | -61 | -95.4 | 0 | 0 | 0 | 109.6 | I343 V361 K362 V363 V406 W427 I428 L430 L446 M448 L478 V480 F482 | I343-F408 HydrophobicContact CD1-CE1 4.4Å; I343-F408 HydrophobicContact CD1-CZ 4.03Å; I343-F408 HydrophobicContact CG2-CE1 4.2Å; I343-F408 HydrophobicContact CG2-CZ 4.31Å; V361-F408 HydrophobicContact CG1-CD1 4.28Å; K362-F408 WeakPolarHBondContact O-CA 3.29Å; V363-F408 HydrophobicContact CB-CD1 4.38Å; V363-F408 HydrophobicContact CB-CE1 4.46Å; V363-F408 HydrophobicContact CG1-CD1 4Å; V363-F408 HydrophobicContact CG1-CE1 3.77Å; V363-F408 HydrophobicContact CG1-CZ 4.23Å; V363-F408 HydrophobicContact CG2-CD1 3.6Å; V363-F408 HydrophobicContact CG2-CE1 3.79Å; V406-F408 HydrophobicContact CB-CE2 4.26Å; V406-F408 HydrophobicContact CG1-CE2 3.65Å; V406-F408 HydrophobicContact CG1-CZ 4.24Å; V406-F408 HydrophobicContact CG2-CD2 4.19Å; V406-F408 HydrophobicContact CG2-CE1 4.46Å; V406-F408 HydrophobicContact CG2-CE2 3.62Å; V406-F408 HydrophobicContact CG2-CZ 3.77Å; F408-W427 CarbonylContact O-C 3.16Å; F408-W427 WeakPolarHBondContact O-CA 3.44Å; F408-I428 HydrophobicContact CB-CG2 3.81Å; F408-I428 HydrophobicContact CD2-CG2 4.06Å; F408-I428 HydrophobicContact CG-CG2 4.3Å; F408-I428 PolarHBondContact N-O 2.89Å; F408-I428 PolarHBondContact O-N 2.93Å; F408-L430 HydrophobicContact CE2-CD1 4.09Å; F408-L446 HydrophobicContact CD2-CD1 3.94Å; F408-L446 HydrophobicContact CE2-CD1 3.83Å; F408-L446 HydrophobicContact CG-CD1 4.45Å; F408-L446 HydrophobicContact CZ-CD1 4.27Å; F408-M448 HydrophobicContact CB-CE 4.45Å; F408-L478 HydrophobicContact CB-CD2 3.96Å; F408-L478 HydrophobicContact CD1-CD2 3.61Å; F408-L478 HydrophobicContact CE1-CD2 4.38Å; F408-L478 HydrophobicContact CG-CD2 3.95Å; F408-V480 HydrophobicContact CD1-CG1 4.4Å; F408-V480 HydrophobicContact CE1-CG1 3.84Å; F408-V480 HydrophobicContact CZ-CG1 4.24Å; F408-V480 HydrophobicContact CZ-CG2 4.41Å; F408-F482 HydrophobicContact CE2-CE1 4.49Å; F408-F482 AromaticContact CE2-CZ 3.99Å; F408-F482 HydrophobicContact CE2-CZ 3.99Å; F408-F482 HydrophobicContact CZ-CE1 4.02Å; F408-F482 AromaticContact CZ-CZ 3.75Å; F408-F482 HydrophobicContact CZ-CZ 3.75Å |
| 409 | T | 96.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.6 | 168.7 | -58.1 | 0 | 0 | 0 | 0 | 109.1 | V361 K362 C411 P424 F451 L458 | V361-T409 CarbonylContact C-O 3.5Å; V361-T409 WeakPolarHBondContact CA-O 3.36Å; K362-T409 PolarHBondContact N-O 2.94Å; K362-T409 PolarHBondContact O-N 3.25Å; T409-C411 VanDerWaalsContact CG2-SG 3.55Å; T409-P424 HydrophobicContact CG2-CB 4.25Å; T409-F451 HydrophobicContact CG2-CE2 3.91Å; T409-F451 HydrophobicContact CG2-CZ 3.73Å; T409-L458 WeakPolarHBondContact CB-O 3.32Å; T409-L458 HydrophobicContact CG2-CD1 4.44Å; T409-L458 VanDerWaalsContact CG2-O 3.26Å; T409-L458 WeakPolarHBondContact CG2-O 3.33Å; T409-L458 PolarHBondContact OG1-O 3.3Å |
| 410 | L | 95.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.4 | 170.5 | 177.4 | 66 | 0 | 0 | 0 | 108.2 | A348 V351 V361 W387 L425 G426 M448 P476 | A348-L410 HydrophobicContact CB-CD1 4.45Å; A348-L410 HydrophobicContact CB-CD2 4.28Å; V351-L410 HydrophobicContact CG1-CD2 4.1Å; V351-L410 HydrophobicContact CG2-CD2 3.81Å; V361-L410 HydrophobicContact CG2-CD1 3.9Å; W387-L410 HydrophobicContact CH2-CD1 3.86Å; W387-L410 HydrophobicContact CZ2-CD1 4.47Å; L410-L425 HydrophobicContact CD2-CB 4.28Å; L410-L425 HydrophobicContact CD2-CD1 4.09Å; L410-L425 HydrophobicContact CG-CB 4.26Å; L410-L425 HydrophobicContact CG-CD1 4.07Å; L410-L425 PolarHBondContact O-N 2.65Å; L410-G426 PolarHBondContact N-O 3.27Å; L410-M448 HydrophobicContact CB-CE 3.8Å; L410-M448 HydrophobicContact CB-SD 3.73Å; L410-M448 HydrophobicContact CD2-SD 4.23Å; L410-P476 HydrophobicContact CD2-CB 4.14Å |
| 411 | C | 93.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.2 | -179.3 | -66.5 | 0 | 0 | 0 | 0 | 110.8 | A359 Y360 T409 F423 | A359-C411 CarbonylContact C-O 3.4Å; A359-C411 WeakPolarHBondContact CA-O 3.15Å; A359-C411 WeakPolarHBondContact CB-O 3.04Å; Y360-C411 HydrophobicContact CD1-CB 3.93Å; Y360-C411 HydrophobicContact CD2-CB 4.47Å; Y360-C411 HydrophobicContact CE1-CB 3.3Å; Y360-C411 HydrophobicContact CE2-CB 3.96Å; Y360-C411 HydrophobicContact CG-CB 4.46Å; Y360-C411 PolarHBondContact N-O 3.36Å; Y360-C411 PolarHBondContact O-N 2.94Å; Y360-C411 WeakPolarHBondContact OH-CB 3.5Å; T409-C411 VanDerWaalsContact CG2-SG 3.55Å; C411-F423 CarbonylContact C-O 3.05Å; C411-F423 WeakPolarHBondContact CA-O 3.47Å |
| 412 | A | 92.1 | Very high | 89 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 150.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V353 F358 H422 F423 L425 | V353-A412 HydrophobicContact CG1-CB 3.85Å; F358-A412 CarbonylContact O-C 3.57Å; F358-A412 VanDerWaalsContact O-CA 3.29Å; F358-A412 WeakPolarHBondContact O-CA 3.43Å; A412-H422 WeakPolarHBondContact O-CA 3.12Å; A412-F423 HydrophobicContact CB-CB 4.49Å; A412-F423 PolarHBondContact N-O 2.9Å; A412-F423 PolarHBondContact O-N 3.3Å; A412-L425 HydrophobicContact CB-CD1 4.03Å; A412-L425 HydrophobicContact CB-CD2 4.04Å; A412-L425 HydrophobicContact CB-CG 4.19Å |
| 413 | V | 90.7 | Very high | 88.7 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 123.4 | 174 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | F358 Y360 Q415 D420 E421 | F358-V413 HydrophobicContact CB-CB 4.43Å; F358-V413 PolarHBondContact N-O 3.39Å; F358-V413 PolarHBondContact O-N 3.14Å; Y360-V413 HydrophobicContact CD1-CG2 3.51Å; Y360-V413 HydrophobicContact CE1-CG2 3.2Å; V413-Q415 HydrophobicContact CG1-CG 4.41Å; V413-D420 HydrophobicContact CG1-CB 3.8Å; V413-E421 WeakPolarHBondContact CA-O 3.33Å |
| 414 | R | 88.2 | Confident | 88.5 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 113.5 | 165.9 | -174.8 | 165.8 | -66.2 | 162.4 | 4.6 | 109 | T354 D357 K416 E421 F423 | T354-R414 PolarHBondContact OG1-NH2 2.97Å; D357-R414 WeakPolarHBondContact OD1-CB 3.42Å; D357-R414 WeakPolarHBondContact OD1-CG 3.25Å; D357-R414 IonicContact OD1-CZ 2.57Å; D357-R414 IonicContact OD1-NE 3.71Å; D357-R414 PolarHBondContact OD1-NE 3.22Å; D357-R414 IonicContact OD1-NH2 3.97Å; D357-R414 IonicContact OD2-CZ 3.87Å; D357-R414 IonicContact OD2-NE 3.75Å; D357-R414 IonicContact OD2-NH2 2.77Å; D357-R414 PolarHBondContact OD2-NH2 3.37Å; R414-K416 PolarHBondContact O-N 3.46Å; R414-E421 PolarHBondContact N-O 3.12Å; R414-E421 PolarHBondContact O-N 3.27Å; R414-F423 HydrophobicContact CB-CE2 3.99Å |
| 415 | Q | 81.8 | Confident | 88.2 | Confident | 123 Ų | 123 | 64.6 Ų | 64.6 | 58% | 0.575 | 30% | 0.298 | S | S | * | . | trans | -74.5 | 120 | 177.2 | -67.3 | -175 | -29.9 | 0 | 0 | 109.8 | F358 V413 D420 | F358-Q415 HydrophobicContact CD2-CG 4.29Å; F358-Q415 HydrophobicContact CE2-CG 4.48Å; V413-Q415 HydrophobicContact CG1-CG 4.41Å; Q415-D420 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 416 | K | 78.8 | Confident | 88.1 | Confident | 103 Ų | 103 | 64 Ų | 64 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | trans | -120.1 | 154.7 | 173.4 | -74.1 | -179.1 | 170.9 | 169.9 | 0 | 109.1 | R414 Q418 E421 | R414-K416 PolarHBondContact O-N 3.46Å; K416-Q418 PolarHBondContact O-N 3.04Å; K416-E421 HydrophobicContact CD-CG 4.23Å; K416-E421 WeakPolarHBondContact CD-OE1 3.4Å; K416-E421 VanDerWaalsContact CE-OE2 3.3Å; K416-E421 WeakPolarHBondContact CE-OE2 3.24Å; K416-E421 IonicContact NZ-OE1 3.63Å; K416-E421 PolarHBondContact NZ-OE1 3.39Å; K416-E421 IonicContact NZ-OE2 2.94Å; K416-E421 PolarHBondContact NZ-OE2 2.88Å | ||
| 417 | K | 72.7 | Confident | 88 | Confident | 225 Ų | 225 | 64.9 Ų | 64.9 | 98% | 0.978 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -55 | -25 | -175.9 | -71.1 | -173.8 | 176.9 | -178.6 | 0 | 115.4 | ||
| 418 | Q | 72.6 | Confident | 87.9 | Confident | 197 Ų | 197 | 64.8 Ų | 64.8 | 92% | 0.921 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -107.8 | -38.9 | -175.2 | -72.5 | -174.8 | -12.1 | 0 | 0 | 114.2 | K416 | K416-Q418 PolarHBondContact O-N 3.04Š|
| 419 | K | 83.5 | Confident | 87.7 | Confident | 168 Ų | 168 | 64.9 Ų | 64.9 | 73% | 0.73 | 30% | 0.299 | S | S | * | . | trans | -160.9 | 134.3 | -179.3 | -171.1 | 175.1 | 178.7 | -179.3 | 0 | 109.6 | E421 | K419-E421 PolarHBondContact O-N 3.15Š| ||
| 420 | D | 84.9 | Confident | 87.6 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 35% | 0.348 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 131.6 | 173.8 | -71.8 | -9.4 | 0 | 0 | 0 | 110.4 | V413 Q415 H422 | V413-D420 HydrophobicContact CG1-CB 3.8Å; Q415-D420 WeakPolarHBondContact CA-OD1 3.5Å; D420-H422 PolarHBondContact O-CD2 3.48Å |
| 421 | E | 85.1 | Confident | 87.4 | Confident | 72 Ų | 72 | 68.1 Ų | 68.1 | 34% | 0.336 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117 | 175.3 | -71 | 179.3 | 177.4 | 0 | 0 | 109.2 | V413 R414 K416 K419 F423 | V413-E421 WeakPolarHBondContact CA-O 3.33Å; R414-E421 PolarHBondContact N-O 3.12Å; R414-E421 PolarHBondContact O-N 3.27Å; K416-E421 HydrophobicContact CD-CG 4.23Å; K416-E421 WeakPolarHBondContact CD-OE1 3.4Å; K416-E421 VanDerWaalsContact CE-OE2 3.3Å; K416-E421 WeakPolarHBondContact CE-OE2 3.24Å; K416-E421 IonicContact NZ-OE1 3.63Å; K416-E421 PolarHBondContact NZ-OE1 3.39Å; K416-E421 IonicContact NZ-OE2 2.94Å; K416-E421 PolarHBondContact NZ-OE2 2.88Å; K419-E421 PolarHBondContact O-N 3.15Å; E421-F423 HydrophobicContact CB-CE2 3.59Å; E421-F423 HydrophobicContact CB-CZ 3.56Å; E421-F423 HydrophobicContact CG-CZ 4.47Å; E421-F423 WeakPolarHBondContact O-CD2 3.36Å; E421-F423 WeakPolarHBondContact O-CE2 3.29Å |
| 422 | H | 88.3 | Confident | 87.4 | Confident | 101 Ų | 101 | 68 Ų | 68 | 47% | 0.468 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130 | -179.6 | -63.2 | -103 | 0 | 0 | 0 | 110 | Y360 A412 D420 | Y360-H422 AromaticContact CE1-ND1 3.55Å; Y360-H422 AromaticContact CZ-ND1 3.58Å; Y360-H422 PolarHBondContact OH-ND1 2.75Å; A412-H422 WeakPolarHBondContact O-CA 3.12Å; D420-H422 PolarHBondContact O-CD2 3.48Å |
| 423 | F | 86.2 | Confident | 87.4 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 113.3 | -179.7 | -54.1 | -82.5 | 0 | 0 | 0 | 109.7 | C411 A412 R414 E421 L425 | C411-F423 CarbonylContact C-O 3.05Å; C411-F423 WeakPolarHBondContact CA-O 3.47Å; A412-F423 HydrophobicContact CB-CB 4.49Å; A412-F423 PolarHBondContact N-O 2.9Å; A412-F423 PolarHBondContact O-N 3.3Å; R414-F423 HydrophobicContact CB-CE2 3.99Å; E421-F423 HydrophobicContact CB-CE2 3.59Å; E421-F423 HydrophobicContact CB-CZ 3.56Å; E421-F423 HydrophobicContact CG-CZ 4.47Å; E421-F423 WeakPolarHBondContact O-CD2 3.36Å; E421-F423 WeakPolarHBondContact O-CE2 3.29Å; F423-L425 PolarHBondContact O-N 2.93Å |
| 424 | P | 89 | Confident | 87.4 | Confident | 56 Ų | 56 | 69.8 Ų | 69.8 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 123.1 | 173.8 | 29.7 | -32.9 | 0 | 0 | 0 | 110.1 | T409 F451 | T409-P424 HydrophobicContact CG2-CB 4.25Å; P424-F451 HydrophobicContact CB-CD2 3.68Å; P424-F451 HydrophobicContact CB-CE2 3.46Å; P424-F451 VanDerWaalsContact CB-CE2 3.46Å; P424-F451 HydrophobicContact CB-CG 4.45Å; P424-F451 HydrophobicContact CB-CZ 4.02Å; P424-F451 HydrophobicContact CG-CD2 4.22Å; P424-F451 HydrophobicContact CG-CE2 4.39Å |
| 425 | L | 89.8 | Confident | 87.5 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -30.7 | -176.3 | -56.9 | -178.5 | 0 | 0 | 0 | 112.5 | V351 V353 L410 A412 F423 | V351-L425 HydrophobicContact CG1-CD1 3.35Å; V353-L425 HydrophobicContact CG1-CD1 3.53Å; V353-L425 HydrophobicContact CG1-CD2 3.99Å; V353-L425 HydrophobicContact CG1-CG 4.42Å; L410-L425 HydrophobicContact CD2-CB 4.28Å; L410-L425 HydrophobicContact CD2-CD1 4.09Å; L410-L425 HydrophobicContact CG-CB 4.26Å; L410-L425 HydrophobicContact CG-CD1 4.07Å; L410-L425 PolarHBondContact O-N 2.65Å; A412-L425 HydrophobicContact CB-CD1 4.03Å; A412-L425 HydrophobicContact CB-CD2 4.04Å; A412-L425 HydrophobicContact CB-CG 4.19Å; F423-L425 PolarHBondContact O-N 2.93Å |
| 426 | G | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 162.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L410 M448 W449 | L410-G426 PolarHBondContact N-O 3.27Å; G426-M448 VanDerWaalsContact C-CE 3.48Å; G426-M448 WeakPolarHBondContact O-CE 3.24Å; G426-W449 CarbonylContact C-O 3.51Å; G426-W449 WeakPolarHBondContact CA-O 3.18Å |
| 427 | W | 93.6 | Very high | 88.3 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 6% | 0.064 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 160.2 | 178.2 | 64.3 | -79.6 | 0 | 0 | 0 | 111.9 | F408 N429 W449 P450 F451 N460 G463 | F408-W427 CarbonylContact O-C 3.16Å; F408-W427 WeakPolarHBondContact O-CA 3.44Å; W427-N429 HydrophobicContact CZ3-CB 4.41Å; W427-N429 WeakPolarHBondContact CZ3-ND2 3.31Å; W427-W449 VanDerWaalsContact CD1-O 3.26Å; W427-W449 HydrophobicContact CD2-CB 4.2Å; W427-W449 HydrophobicContact CH2-CB 4.44Å; W427-W449 HydrophobicContact CH2-CG 4.48Å; W427-W449 HydrophobicContact CZ2-CB 3.76Å; W427-W449 HydrophobicContact CZ2-CG 4.19Å; W427-W449 PolarHBondContact N-O 3.46Å; W427-W449 PolarHBondContact O-N 2.64Å; W427-P450 PolarHBondContact NE1-O 2.99Å; W427-F451 HydrophobicContact CB-CE1 3.99Å; W427-F451 HydrophobicContact CB-CE2 3.72Å; W427-F451 HydrophobicContact CB-CZ 3.47Å; W427-F451 VanDerWaalsContact CB-CZ 3.47Å; W427-F451 AromaticContact CD1-CD1 3.61Å; W427-F451 AromaticContact CD1-CD2 3.69Å; W427-F451 AromaticContact CD1-CE1 3.7Å; W427-F451 AromaticContact CD1-CE2 3.73Å; W427-F451 AromaticContact CD1-CG 3.66Å; W427-F451 AromaticContact CD1-CZ 3.8Å; W427-F451 HydrophobicContact CG-CD1 4.29Å; W427-F451 HydrophobicContact CG-CD2 4.48Å; W427-F451 AromaticContact CG-CE1 3.93Å; W427-F451 HydrophobicContact CG-CE1 3.93Å; W427-F451 HydrophobicContact CG-CE2 4.09Å; W427-F451 AromaticContact CG-CZ 3.87Å; W427-F451 HydrophobicContact CG-CZ 3.87Å; W427-N460 HydrophobicContact CD2-CB 3.92Å; W427-N460 VanDerWaalsContact CE2-ND2 3.34Å; W427-N460 HydrophobicContact CE3-CB 4.12Å; W427-N460 HydrophobicContact CG-CB 4.21Å; W427-N460 WeakPolarHBondContact CZ2-ND2 3.48Å; W427-G463 VanDerWaalsContact CH2-CA 3.41Å |
| 428 | I | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 139 | 169.2 | -177.3 | -180 | 0 | 0 | 0 | 109.6 | S407 F408 L430 L446 M448 P467 | S407-I428 WeakPolarHBondContact CA-O 3.4Å; F408-I428 HydrophobicContact CB-CG2 3.81Å; F408-I428 HydrophobicContact CD2-CG2 4.06Å; F408-I428 HydrophobicContact CG-CG2 4.3Å; F408-I428 PolarHBondContact N-O 2.89Å; F408-I428 PolarHBondContact O-N 2.93Å; I428-L430 HydrophobicContact CD1-CD2 3.87Å; I428-L430 HydrophobicContact CD1-CG 4.25Å; I428-L430 HydrophobicContact CG1-CD2 4.26Å; I428-L430 HydrophobicContact CG1-CG 4.38Å; I428-L446 HydrophobicContact CD1-CB 3.78Å; I428-L446 HydrophobicContact CD1-CD2 4.17Å; I428-L446 HydrophobicContact CD1-CG 4.37Å; I428-L446 HydrophobicContact CG2-CB 4.2Å; I428-L446 HydrophobicContact CG2-CD1 4.26Å; I428-M448 HydrophobicContact CG2-CE 4.24Å; I428-M448 HydrophobicContact CG2-CG 4.35Å; I428-P467 HydrophobicContact CD1-CB 3.83Å |
| 429 | N | 93.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.8 | 173 | -59.5 | -21.6 | 0 | 0 | 0 | 109.7 | V406 S407 W427 N460 G463 L465 G466 | V406-N429 CarbonylContact O-C 3.6Å; V406-N429 WeakPolarHBondContact O-CA 3.35Å; S407-N429 WeakPolarHBondContact CA-OD1 3.4Å; S407-N429 WeakPolarHBondContact CB-OD1 3.31Å; S407-N429 PolarHBondContact OG-OD1 3.38Å; W427-N429 HydrophobicContact CZ3-CB 4.41Å; W427-N429 WeakPolarHBondContact CZ3-ND2 3.31Å; N429-N460 PolarHBondContact ND2-O 3.29Å; N429-G463 PolarHBondContact ND2-O 3.44Å; N429-L465 HydrophobicContact CB-CD2 3.72Å; N429-G466 PolarHBondContact O-N 3.45Å |
| 430 | L | 92.6 | Very high | 90.5 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 138.8 | 176.2 | -60.4 | 171.9 | 0 | 0 | 0 | 109.8 | H405 V406 F408 I428 L446 F482 | H405-L430 CarbonylContact C-O 3.55Å; H405-L430 VanDerWaalsContact CA-O 3.23Å; H405-L430 WeakPolarHBondContact CA-O 3.31Å; H405-L430 VanDerWaalsContact CB-O 3.29Å; H405-L430 WeakPolarHBondContact CB-O 3.44Å; V406-L430 HydrophobicContact CG1-CB 3.91Å; V406-L430 WeakPolarHBondContact CG1-O 3.24Å; V406-L430 PolarHBondContact N-O 2.94Å; V406-L430 PolarHBondContact O-N 2.85Å; F408-L430 HydrophobicContact CE2-CD1 4.09Å; I428-L430 HydrophobicContact CD1-CD2 3.87Å; I428-L430 HydrophobicContact CD1-CG 4.25Å; I428-L430 HydrophobicContact CG1-CD2 4.26Å; I428-L430 HydrophobicContact CG1-CG 4.38Å; L430-L446 HydrophobicContact CD1-CD1 3.58Å; L430-L446 HydrophobicContact CD1-CD2 3.43Å; L430-L446 VanDerWaalsContact CD1-CD2 3.43Å; L430-L446 HydrophobicContact CD1-CG 4.13Å; L430-L446 HydrophobicContact CD2-CD2 4.31Å; L430-L446 HydrophobicContact CG-CD2 4.4Å; L430-F482 HydrophobicContact CD1-CE2 4.25Å; L430-F482 HydrophobicContact CD1-CZ 4Å |
| 431 | R | 92.5 | Very high | 90.7 | Very high | 54 Ų | 54 | 37 Ų | 37 | 20% | 0.204 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 144.9 | 173 | -68.8 | 175.2 | -72.7 | 146.8 | 2.2 | 110.4 | I440 L465 P673 | R431-I440 WeakPolarHBondContact O-CG2 3.34Å; R431-L465 HydrophobicContact CG-CD1 3.5Å; R431-L465 VanDerWaalsContact CG-CD1 3.5Å; R431-L465 HydrophobicContact CG-CD2 3.97Å; R431-L465 HydrophobicContact CG-CG 4.22Å; R431-P673 PolarHBondContact NE-O 2.93Å; R431-P673 VanDerWaalsContact NH1-CA 3.28Å; R431-P673 PolarHBondContact NH1-O 3.45Å; R431-P673 PolarHBondContact NH2-O 3.1Å |
| 432 | M | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -80 | -24.4 | 178.7 | -61.3 | -175 | 77.7 | 0 | 0 | 112.3 | F341 I365 I400 A404 L439 I440 | F341-M432 HydrophobicContact CD1-CE 3.57Å; F341-M432 HydrophobicContact CD2-CE 3.82Å; F341-M432 HydrophobicContact CE1-CE 3.35Å; F341-M432 HydrophobicContact CE2-CE 3.64Å; F341-M432 HydrophobicContact CG-CE 3.78Å; F341-M432 HydrophobicContact CZ-CE 3.39Å; I365-M432 HydrophobicContact CD1-CE 4.2Å; I365-M432 HydrophobicContact CG2-CE 4.44Å; I365-M432 HydrophobicContact CG2-SD 3.59Å; I365-M432 VanDerWaalsContact CG2-SD 3.59Å; I400-M432 HydrophobicContact CD1-CE 3.65Å; I400-M432 HydrophobicContact CG1-CE 4.26Å; I400-M432 HydrophobicContact CG2-CB 4.36Å; I400-M432 HydrophobicContact CG2-CE 4.09Å; I400-M432 HydrophobicContact CG2-SD 3.71Å; A404-M432 HydrophobicContact CB-CG 4.34Å; A404-M432 HydrophobicContact CB-SD 3.73Å; A404-M432 PolarHBondContact O-N 3.39Å; M432-L439 HydrophobicContact CB-CD1 4.29Å; M432-L439 CarbonylContact O-C 3.54Å; M432-L439 WeakPolarHBondContact O-CA 3.24Å; M432-L439 WeakPolarHBondContact O-CD1 3.17Å; M432-I440 PolarHBondContact O-N 2.77Å |
| 433 | I | 92.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -118.9 | 129 | -179.9 | -62.1 | 164 | 0 | 0 | 0 | 108.8 | M334 L402 C438 L439 F491 | M334-I433 HydrophobicContact CE-CD1 4.28Å; M334-I433 HydrophobicContact SD-CD1 4.1Å; L402-I433 HydrophobicContact CD1-CB 4.4Å; L402-I433 HydrophobicContact CD1-CD1 3.76Å; L402-I433 HydrophobicContact CD1-CG2 4.02Å; I433-C438 CarbonylContact C-O 3.52Å; I433-C438 WeakPolarHBondContact CA-O 3.31Å; I433-L439 HydrophobicContact CG1-CD1 4.5Å; I433-F491 HydrophobicContact CD1-CD2 3.76Å; I433-F491 HydrophobicContact CD1-CE2 4.37Å |
| 434 | D | 90.2 | Very high | 91.5 | Very high | 41 Ų | 41 | 36.2 Ų | 36.2 | 22% | 0.219 | 18% | 0.18 | C | C | . | . | trans | -84.8 | -179.8 | -177.6 | 73 | 19.2 | 0 | 0 | 0 | 113.3 | Q436 D437 C438 F674 | D434-Q436 PolarHBondContact O-N 2.79Å; D434-Q436 VanDerWaalsContact O-N 3.15Å; D434-Q436 WeakPolarHBondContact OD1-CA 3.19Å; D434-Q436 WeakPolarHBondContact OD1-CB 3.4Å; D434-Q436 PolarHBondContact OD1-N 2.86Å; D434-D437 PolarHBondContact O-N 3.35Å; D434-D437 PolarHBondContact OD1-N 3.16Å; D434-C438 PolarHBondContact N-O 3.48Å; D434-C438 WeakPolarHBondContact OD1-CB 3.46Å; D434-C438 PolarHBondContact OD1-N 3.1Å; D434-F674 VanDerWaalsContact O-CE1 3.3Å; D434-F674 WeakPolarHBondContact O-CE1 3.29Å; D434-F674 WeakPolarHBondContact O-CZ 3.36Å | ||
| 435 | Y | 88.9 | Confident | 91.7 | Very high | 49 Ų | 49 | 36.3 Ų | 36.3 | 19% | 0.192 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -6.5 | -175.6 | 81.1 | -83.4 | 0 | 0 | 0 | 114.5 | A136 E137 K140 | A136-Y435 WeakPolarHBondContact CB-OH 3.13Å; E137-Y435 HydrophobicContact CB-CD1 3.68Å; E137-Y435 HydrophobicContact CB-CD2 4.38Å; E137-Y435 HydrophobicContact CB-CE1 3.8Å; E137-Y435 HydrophobicContact CB-CE2 4.47Å; E137-Y435 HydrophobicContact CB-CG 4Å; E137-Y435 HydrophobicContact CG-CD1 3.86Å; E137-Y435 HydrophobicContact CG-CD2 4.19Å; E137-Y435 HydrophobicContact CG-CE1 4.44Å; E137-Y435 HydrophobicContact CG-CG 3.73Å; K140-Y435 HydrophobicContact CD-CD2 4.37Å; K140-Y435 HydrophobicContact CD-CE2 4.23Å |
| 436 | Q | 88.2 | Confident | 91.9 | Very high | 45 Ų | 45 | 34.3 Ų | 34.3 | 21% | 0.21 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 15.4 | 174.6 | -56.4 | -172.5 | -28.9 | 0 | 0 | 111.4 | D434 C438 Q490 | D434-Q436 PolarHBondContact O-N 2.79Å; D434-Q436 VanDerWaalsContact O-N 3.15Å; D434-Q436 WeakPolarHBondContact OD1-CA 3.19Å; D434-Q436 WeakPolarHBondContact OD1-CB 3.4Å; D434-Q436 PolarHBondContact OD1-N 2.86Å; Q436-C438 PolarHBondContact O-N 3.28Å; Q436-Q490 PolarHBondContact O-NE2 3.13Å |
| 437 | D | 90.8 | Very high | 91.9 | Very high | 73 Ų | 73 | 37.2 Ų | 37.2 | 39% | 0.39 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 61.3 | 23.6 | -175.8 | -60.3 | -46.7 | 0 | 0 | 0 | 113.1 | D434 Q490 F491 | D434-D437 PolarHBondContact O-N 3.35Å; D434-D437 PolarHBondContact OD1-N 3.16Å; D437-Q490 HydrophobicContact CB-CG 4.29Å; D437-Q490 CarbonylContact O-C 3.53Å; D437-Q490 WeakPolarHBondContact O-CA 3.42Å; D437-Q490 VanDerWaalsContact O-CG 3.31Å; D437-Q490 WeakPolarHBondContact O-CG 3.38Å; D437-F491 HydrophobicContact CB-CB 4.09Å; D437-F491 WeakPolarHBondContact O-CB 3.4Å; D437-F491 PolarHBondContact O-N 2.88Å |
| 438 | C | 91.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -99.6 | 139.8 | 179.8 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | I433 D434 Q436 I440 I489 | I433-C438 CarbonylContact C-O 3.52Å; I433-C438 WeakPolarHBondContact CA-O 3.31Å; D434-C438 PolarHBondContact N-O 3.48Å; D434-C438 WeakPolarHBondContact OD1-CB 3.46Å; D434-C438 PolarHBondContact OD1-N 3.1Å; Q436-C438 PolarHBondContact O-N 3.28Å; C438-I440 PolarHBondContact O-N 3.38Å; C438-I489 CarbonylContact C-O 3.59Å; C438-I489 WeakPolarHBondContact CA-O 3.39Å |
| 439 | L | 92.8 | Very high | 91.6 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -63.1 | 131.4 | 170.5 | -171.8 | 76.1 | 0 | 0 | 0 | 108.9 | F341 I397 I400 M432 I433 H441 I489 | F341-L439 HydrophobicContact CD2-CD2 4.32Å; F341-L439 HydrophobicContact CE2-CD1 4.33Å; F341-L439 HydrophobicContact CE2-CD2 4.27Å; F341-L439 HydrophobicContact CE2-CG 4.47Å; I397-L439 HydrophobicContact CD1-CD2 4.29Å; I397-L439 HydrophobicContact CG1-CD2 4.46Å; I397-L439 HydrophobicContact CG2-CD2 4.17Å; I400-L439 HydrophobicContact CD1-CD1 4.18Å; M432-L439 HydrophobicContact CB-CD1 4.29Å; M432-L439 CarbonylContact O-C 3.54Å; M432-L439 WeakPolarHBondContact O-CA 3.24Å; M432-L439 WeakPolarHBondContact O-CD1 3.17Å; I433-L439 HydrophobicContact CG1-CD1 4.5Å; L439-H441 PolarHBondContact O-N 2.9Å; L439-I489 HydrophobicContact CB-CB 4.08Å; L439-I489 HydrophobicContact CB-CG2 4.3Å; L439-I489 HydrophobicContact CD2-CB 4.43Å; L439-I489 HydrophobicContact CD2-CD1 4.13Å; L439-I489 PolarHBondContact N-O 3.47Å |
| 440 | I | 91.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -53.5 | 136.3 | 179.1 | 59 | 176.7 | 0 | 0 | 0 | 111.1 | V406 R431 M432 C438 F482 | V406-I440 HydrophobicContact CG1-CD1 4.46Å; R431-I440 WeakPolarHBondContact O-CG2 3.34Å; M432-I440 PolarHBondContact O-N 2.77Å; C438-I440 PolarHBondContact O-N 3.38Å; I440-F482 HydrophobicContact CD1-CD1 3.42Å; I440-F482 VanDerWaalsContact CD1-CD1 3.42Å; I440-F482 HydrophobicContact CD1-CD2 3.97Å; I440-F482 HydrophobicContact CD1-CE1 3.34Å; I440-F482 HydrophobicContact CD1-CE2 3.89Å; I440-F482 HydrophobicContact CD1-CG 3.75Å; I440-F482 HydrophobicContact CD1-CZ 3.58Å; I440-F482 HydrophobicContact CG1-CB 4.23Å; I440-F482 HydrophobicContact CG1-CD1 3.85Å; I440-F482 HydrophobicContact CG1-CD2 4.35Å; I440-F482 HydrophobicContact CG1-CE1 4.28Å; I440-F482 HydrophobicContact CG1-CG 3.89Å; I440-F482 WeakPolarHBondContact O-CB 3.46Å |
| 441 | H | 89.1 | Confident | 90.9 | Very high | 93 Ų | 93 | 42.3 Ų | 42.3 | 43% | 0.431 | 21% | 0.213 | S | C | . | . | trans | -142.8 | 158.9 | -176.5 | 74.4 | 94.1 | 0 | 0 | 0 | 111.3 | L439 F482 H488 | L439-H441 PolarHBondContact O-N 2.9Å; H441-F482 CarbonylContact C-O 3.6Å; H441-H488 AromaticContact CD2-ND1 3.81Å; H441-H488 AromaticContact CE1-CE1 3.44Å; H441-H488 PolarHBondContact CE1-CE1 3.32Å; H441-H488 VanDerWaalsContact CE1-CE1 3.44Å; H441-H488 AromaticContact CE1-ND1 3.86Å; H441-H488 AromaticContact NE2-CE1 3.27Å; H441-H488 PolarHBondContact NE2-CE1 3.1Å; H441-H488 VanDerWaalsContact NE2-CE1 3.27Å; H441-H488 AromaticContact NE2-ND1 3.36Å; H441-H488 PolarHBondContact NE2-ND1 2.8Å | ||
| 442 | G | 90.7 | Very high | 90.2 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 27% | 0.268 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 80.2 | -171 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E481 F482 | G442-E481 WeakPolarHBondContact O-CA 3.29Å; G442-F482 PolarHBondContact N-O 2.87Å; G442-F482 PolarHBondContact O-N 3.49Å |
| 443 | K | 93.1 | Very high | 89.2 | Confident | 155 Ų | 155 | 52.8 Ų | 52.8 | 67% | 0.674 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 137.3 | -176.5 | -67.4 | 178.1 | -178.2 | 173.4 | 0 | 111.4 | V480 E481 | K443-V480 CarbonylContact C-O 3.58Å; K443-V480 WeakPolarHBondContact CA-O 3.4Å; K443-E481 WeakPolarHBondContact CE-OE1 3.38Å; K443-E481 HydrophobicContact CG-CB 4Å; K443-E481 HydrophobicContact CG-CG 3.91Å |
| 444 | Q | 92 | Very high | 88 | Confident | 56 Ų | 56 | 56 Ų | 56 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142.6 | 176.9 | -60.6 | -169 | 12.5 | 0 | 0 | 111.6 | L446 V480 F482 | Q444-L446 HydrophobicContact CB-CD2 3.78Å; Q444-L446 HydrophobicContact CB-CG 4.47Å; Q444-V480 HydrophobicContact CB-CG2 4.25Å; Q444-V480 PolarHBondContact N-O 2.86Å; Q444-V480 PolarHBondContact O-N 3.44Å; Q444-F482 HydrophobicContact CB-CE2 4.26Å; Q444-F482 HydrophobicContact CG-CD2 4.07Å; Q444-F482 HydrophobicContact CG-CE2 4.06Å |
| 445 | S | 93.1 | Very high | 87.2 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 117 | 171.2 | -66.6 | 0 | 0 | 0 | 0 | 109.1 | H479 | S445-H479 PolarHBondContact OG-CD2 2.97Å; S445-H479 VanDerWaalsContact OG-CD2 3.31Å; S445-H479 PolarHBondContact OG-NE2 3.48Å |
| 446 | L | 93.1 | Very high | 86.5 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 96.7 | -167.4 | -55.8 | -172.3 | 0 | 0 | 0 | 110.5 | F408 I428 L430 Q444 M448 C477 L478 V480 | F408-L446 HydrophobicContact CD2-CD1 3.94Å; F408-L446 HydrophobicContact CE2-CD1 3.83Å; F408-L446 HydrophobicContact CG-CD1 4.45Å; F408-L446 HydrophobicContact CZ-CD1 4.27Å; I428-L446 HydrophobicContact CD1-CB 3.78Å; I428-L446 HydrophobicContact CD1-CD2 4.17Å; I428-L446 HydrophobicContact CD1-CG 4.37Å; I428-L446 HydrophobicContact CG2-CB 4.2Å; I428-L446 HydrophobicContact CG2-CD1 4.26Å; L430-L446 HydrophobicContact CD1-CD1 3.58Å; L430-L446 HydrophobicContact CD1-CD2 3.43Å; L430-L446 VanDerWaalsContact CD1-CD2 3.43Å; L430-L446 HydrophobicContact CD1-CG 4.13Å; L430-L446 HydrophobicContact CD2-CD2 4.31Å; L430-L446 HydrophobicContact CG-CD2 4.4Å; Q444-L446 HydrophobicContact CB-CD2 3.78Å; Q444-L446 HydrophobicContact CB-CG 4.47Å; L446-M448 PolarHBondContact O-N 3.15Å; L446-C477 WeakPolarHBondContact O-CA 3.49Å; L446-L478 HydrophobicContact CB-CB 4.25Å; L446-L478 VanDerWaalsContact CB-O 3.28Å; L446-L478 WeakPolarHBondContact CB-O 3.49Å; L446-L478 PolarHBondContact N-O 3.25Å; L446-L478 PolarHBondContact O-N 3.23Å; L446-V480 HydrophobicContact CD1-CG1 4.19Å; L446-V480 HydrophobicContact CD1-CG2 3.58Å; L446-V480 HydrophobicContact CG-CG2 4.04Å |
| 447 | Y | 92.5 | Very high | 86.1 | Confident | 62 Ų | 62 | 59 Ų | 59 | 24% | 0.243 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 118.2 | 173.7 | -61.1 | -81.3 | 0 | 0 | 0 | 109.7 | P467 N468 K472 V475 C477 | Y447-P467 WeakPolarHBondContact O-CA 3.23Å; Y447-N468 VanDerWaalsContact CB-O 3.23Å; Y447-N468 WeakPolarHBondContact CB-O 3.42Å; Y447-N468 PolarHBondContact O-N 3.43Å; Y447-K472 HydrophobicContact CD1-CB 4.08Å; Y447-K472 HydrophobicContact CD1-CG 4.22Å; Y447-K472 HydrophobicContact CD2-CD 4.49Å; Y447-K472 HydrophobicContact CD2-CG 4.13Å; Y447-K472 HydrophobicContact CE1-CB 3.82Å; Y447-K472 HydrophobicContact CE1-CG 4.14Å; Y447-K472 VanDerWaalsContact CE1-O 3.26Å; Y447-K472 WeakPolarHBondContact CE1-O 3.45Å; Y447-K472 HydrophobicContact CE2-CD 4.03Å; Y447-K472 HydrophobicContact CE2-CG 4.05Å; Y447-K472 HydrophobicContact CG-CG 4.21Å; Y447-V475 HydrophobicContact CD1-CG2 4.33Å; Y447-C477 HydrophobicContact CD1-CB 4.01Å; Y447-C477 HydrophobicContact CE1-CB 4.11Å |
| 448 | M | 92.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -87.4 | 152.3 | -168.5 | -54.6 | -173.9 | 85.6 | 0 | 0 | 112.2 | F408 L410 G426 I428 L446 V475 P476 L478 | F408-M448 HydrophobicContact CB-CE 4.45Å; L410-M448 HydrophobicContact CB-CE 3.8Å; L410-M448 HydrophobicContact CB-SD 3.73Å; L410-M448 HydrophobicContact CD2-SD 4.23Å; G426-M448 VanDerWaalsContact C-CE 3.48Å; G426-M448 WeakPolarHBondContact O-CE 3.24Å; I428-M448 HydrophobicContact CG2-CE 4.24Å; I428-M448 HydrophobicContact CG2-CG 4.35Å; L446-M448 PolarHBondContact O-N 3.15Å; M448-V475 WeakPolarHBondContact O-CB 3.38Å; M448-P476 HydrophobicContact CB-CB 4.34Å; M448-P476 HydrophobicContact CG-CB 4.4Å; M448-P476 WeakPolarHBondContact CG-O 3.31Å; M448-P476 PolarHBondContact N-O 2.91Å; M448-P476 HydrophobicContact SD-CB 4.14Å; M448-L478 HydrophobicContact SD-CB 4.15Å |
| 449 | W | 89.7 | Confident | 85.7 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 8% | 0.08 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -90.3 | 144 | 172.7 | -67.5 | 94.4 | 0 | 0 | 0 | 110.9 | G426 W427 G466 N468 H707 P709 | G426-W449 CarbonylContact C-O 3.51Å; G426-W449 WeakPolarHBondContact CA-O 3.18Å; W427-W449 VanDerWaalsContact CD1-O 3.26Å; W427-W449 HydrophobicContact CD2-CB 4.2Å; W427-W449 HydrophobicContact CH2-CB 4.44Å; W427-W449 HydrophobicContact CH2-CG 4.48Å; W427-W449 HydrophobicContact CZ2-CB 3.76Å; W427-W449 HydrophobicContact CZ2-CG 4.19Å; W427-W449 PolarHBondContact N-O 3.46Å; W427-W449 PolarHBondContact O-N 2.64Å; W449-G466 PolarHBondContact NE1-O 2.96Å; W449-N468 HydrophobicContact CD2-CB 3.88Å; W449-N468 HydrophobicContact CE3-CB 4.28Å; W449-N468 HydrophobicContact CG-CB 4.36Å; W449-N468 HydrophobicContact CH2-CB 4.21Å; W449-N468 VanDerWaalsContact CZ2-CA 3.49Å; W449-N468 HydrophobicContact CZ2-CB 3.79Å; W449-N468 HydrophobicContact CZ3-CB 4.44Å; W449-H707 WeakPolarHBondContact CZ3-O 3.47Å; W449-P709 HydrophobicContact CD2-CG 4.33Å; W449-P709 VanDerWaalsContact CE2-CG 3.47Å; W449-P709 HydrophobicContact CH2-CG 4.16Å; W449-P709 HydrophobicContact CZ2-CB 4.08Å; W449-P709 VanDerWaalsContact CZ2-CD 3.42Å; W449-P709 HydrophobicContact CZ2-CG 3.38Å |
| 450 | P | 87.8 | Confident | 85.5 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 152 | 168.1 | 30.1 | -34.2 | 0 | 0 | 0 | 110.4 | W427 | W427-P450 PolarHBondContact NE1-O 2.99Š|
| 451 | F | 83.6 | Confident | 85.1 | Confident | 35 Ų | 35 | 61 Ų | 61 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 146.9 | 170.7 | -78.5 | -86.3 | 0 | 0 | 0 | 111.3 | T409 P424 W427 F455 N460 | T409-F451 HydrophobicContact CG2-CE2 3.91Å; T409-F451 HydrophobicContact CG2-CZ 3.73Å; P424-F451 HydrophobicContact CB-CD2 3.68Å; P424-F451 HydrophobicContact CB-CE2 3.46Å; P424-F451 VanDerWaalsContact CB-CE2 3.46Å; P424-F451 HydrophobicContact CB-CG 4.45Å; P424-F451 HydrophobicContact CB-CZ 4.02Å; P424-F451 HydrophobicContact CG-CD2 4.22Å; P424-F451 HydrophobicContact CG-CE2 4.39Å; W427-F451 HydrophobicContact CB-CE1 3.99Å; W427-F451 HydrophobicContact CB-CE2 3.72Å; W427-F451 HydrophobicContact CB-CZ 3.47Å; W427-F451 VanDerWaalsContact CB-CZ 3.47Å; W427-F451 AromaticContact CD1-CD1 3.61Å; W427-F451 AromaticContact CD1-CD2 3.69Å; W427-F451 AromaticContact CD1-CE1 3.7Å; W427-F451 AromaticContact CD1-CE2 3.73Å; W427-F451 AromaticContact CD1-CG 3.66Å; W427-F451 AromaticContact CD1-CZ 3.8Å; W427-F451 HydrophobicContact CG-CD1 4.29Å; W427-F451 HydrophobicContact CG-CD2 4.48Å; W427-F451 AromaticContact CG-CE1 3.93Å; W427-F451 HydrophobicContact CG-CE1 3.93Å; W427-F451 HydrophobicContact CG-CE2 4.09Å; W427-F451 AromaticContact CG-CZ 3.87Å; W427-F451 HydrophobicContact CG-CZ 3.87Å; F451-F455 HydrophobicContact CB-CB 4.34Å; F451-F455 HydrophobicContact CB-CD1 4.46Å; F451-F455 HydrophobicContact CD1-CB 4.31Å; F451-F455 AromaticContact CD1-CD1 3.14Å; F451-F455 HydrophobicContact CD1-CD1 3.14Å; F451-F455 AromaticContact CD1-CE1 3.44Å; F451-F455 HydrophobicContact CD1-CE1 3.44Å; F451-F455 VanDerWaalsContact CD1-CE1 3.44Å; F451-F455 AromaticContact CD1-CG 3.75Å; F451-F455 HydrophobicContact CD1-CG 3.75Å; F451-F455 HydrophobicContact CD1-CZ 4.31Å; F451-F455 AromaticContact CE1-CD1 3.52Å; F451-F455 HydrophobicContact CE1-CD1 3.52Å; F451-F455 AromaticContact CE1-CE1 3.26Å; F451-F455 HydrophobicContact CE1-CE1 3.26Å; F451-F455 HydrophobicContact CE1-CG 4.41Å; F451-F455 HydrophobicContact CE1-CZ 4.07Å; F451-F455 HydrophobicContact CG-CD1 4.08Å; F451-F455 HydrophobicContact CZ-CE1 4.38Å; F451-N460 HydrophobicContact CE1-CB 4.04Å |
| 452 | P | 77.6 | Confident | 84.8 | Confident | 49 Ų | 49 | 58 Ų | 58 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 146 | 168.1 | -22 | 32.2 | 0 | 0 | 0 | 111.4 | A454 F455 | P452-A454 PolarHBondContact O-N 2.91Å; P452-A454 VanDerWaalsContact O-N 3.09Å; P452-F455 HydrophobicContact CB-CB 4.27Å; P452-F455 HydrophobicContact CG-CB 4.45Å; P452-F455 VanDerWaalsContact O-CB 3.23Å; P452-F455 WeakPolarHBondContact O-CB 3.11Å; P452-F455 PolarHBondContact O-N 3.48Å |
| 453 | K | 73.3 | Confident | 84.3 | Confident | 225 Ų | 225 | 57.3 Ų | 57.3 | 98% | 0.978 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -28.4 | -175.9 | -69.7 | -174.8 | 178.7 | -178.7 | 0 | 114.5 | ||
| 454 | A | 67.6 | Low | 83.8 | Confident | 72 Ų | 72 | 51.2 Ų | 51.2 | 60% | 0.595 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 7.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P452 | P452-A454 PolarHBondContact O-N 2.91Å; P452-A454 VanDerWaalsContact O-N 3.09Å |
| 455 | F | 73.4 | Confident | 83.5 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 17% | 0.167 | 28% | 0.282 | C | S | . | . | trans | -77.8 | 126.2 | -175.3 | -167.9 | -97.6 | 0 | 0 | 0 | 111.8 | F451 P452 G457 F459 N460 | F451-F455 HydrophobicContact CB-CB 4.34Å; F451-F455 HydrophobicContact CB-CD1 4.46Å; F451-F455 HydrophobicContact CD1-CB 4.31Å; F451-F455 AromaticContact CD1-CD1 3.14Å; F451-F455 HydrophobicContact CD1-CD1 3.14Å; F451-F455 AromaticContact CD1-CE1 3.44Å; F451-F455 HydrophobicContact CD1-CE1 3.44Å; F451-F455 VanDerWaalsContact CD1-CE1 3.44Å; F451-F455 AromaticContact CD1-CG 3.75Å; F451-F455 HydrophobicContact CD1-CG 3.75Å; F451-F455 HydrophobicContact CD1-CZ 4.31Å; F451-F455 AromaticContact CE1-CD1 3.52Å; F451-F455 HydrophobicContact CE1-CD1 3.52Å; F451-F455 AromaticContact CE1-CE1 3.26Å; F451-F455 HydrophobicContact CE1-CE1 3.26Å; F451-F455 HydrophobicContact CE1-CG 4.41Å; F451-F455 HydrophobicContact CE1-CZ 4.07Å; F451-F455 HydrophobicContact CG-CD1 4.08Å; F451-F455 HydrophobicContact CZ-CE1 4.38Å; P452-F455 HydrophobicContact CB-CB 4.27Å; P452-F455 HydrophobicContact CG-CB 4.45Å; P452-F455 VanDerWaalsContact O-CB 3.23Å; P452-F455 WeakPolarHBondContact O-CB 3.11Å; P452-F455 PolarHBondContact O-N 3.48Å; F455-G457 VanDerWaalsContact CE1-CA 3.42Å; F455-G457 WeakPolarHBondContact CE1-O 3.2Å; F455-F459 VanDerWaalsContact CZ-O 3.25Å; F455-F459 WeakPolarHBondContact CZ-O 3.48Å; F455-N460 HydrophobicContact CE2-CB 4.2Å; F455-N460 HydrophobicContact CZ-CB 4.04Å | ||
| 456 | D | 74.2 | Confident | 83.1 | Confident | 129 Ų | 129 | 48.7 Ų | 48.7 | 69% | 0.69 | 27% | 0.27 | S | S | * | . | trans | -115.2 | 1.2 | -176.3 | 60 | 5.8 | 0 | 0 | 0 | 113.5 | K1040 | D456-K1040 IonicContact OD1-NZ 2.74Å; D456-K1040 PolarHBondContact OD1-NZ 2.8Å; D456-K1040 IonicContact OD2-NZ 3.03Å; D456-K1040 PolarHBondContact OD2-NZ 2.99Å | ||
| 457 | G | 78.7 | Confident | 82.8 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -89.3 | 176 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F455 | F455-G457 VanDerWaalsContact CE1-CA 3.42Å; F455-G457 WeakPolarHBondContact CE1-O 3.2Å |
| 458 | L | 84.8 | Confident | 82.3 | Confident | 68 Ų | 68 | 47.8 Ų | 47.8 | 36% | 0.356 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -94.4 | -36.4 | 172.8 | -177.1 | 64.9 | 0 | 0 | 0 | 112.9 | K362 T409 | K362-L458 HydrophobicContact CB-CD2 4.42Å; K362-L458 HydrophobicContact CD-CD2 4.36Å; K362-L458 HydrophobicContact CG-CD1 4.46Å; K362-L458 HydrophobicContact CG-CD2 4.06Å; T409-L458 WeakPolarHBondContact CB-O 3.32Å; T409-L458 HydrophobicContact CG2-CD1 4.44Å; T409-L458 VanDerWaalsContact CG2-O 3.26Å; T409-L458 WeakPolarHBondContact CG2-O 3.33Å; T409-L458 PolarHBondContact OG1-O 3.3Å |
| 459 | F | 89.1 | Confident | 81.4 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | trans | -120.4 | 141.7 | 178.3 | -67.8 | -74.9 | 0 | 0 | 0 | 109.1 | K362 G364 F366 V374 S407 F455 P461 | K362-F459 HydrophobicContact CB-CE1 4Å; K362-F459 HydrophobicContact CB-CZ 3.71Å; G364-F459 VanDerWaalsContact N-CE1 3.31Å; F366-F459 HydrophobicContact CE2-CB 4.15Å; F366-F459 HydrophobicContact CE2-CD1 4.17Å; F366-F459 HydrophobicContact CE2-CD2 4.32Å; F366-F459 AromaticContact CE2-CG 3.97Å; F366-F459 HydrophobicContact CE2-CG 3.97Å; F366-F459 HydrophobicContact CZ-CB 3.82Å; F366-F459 HydrophobicContact CZ-CD1 4.45Å; F366-F459 AromaticContact CZ-CD2 3.84Å; F366-F459 HydrophobicContact CZ-CD2 3.84Å; F366-F459 HydrophobicContact CZ-CE2 4.48Å; F366-F459 AromaticContact CZ-CG 3.8Å; F366-F459 HydrophobicContact CZ-CG 3.8Å; V374-F459 HydrophobicContact CG1-CE2 4.01Å; V374-F459 HydrophobicContact CG1-CZ 4.04Å; V374-F459 HydrophobicContact CG2-CE2 4.1Å; V374-F459 HydrophobicContact CG2-CZ 4.49Å; S407-F459 WeakPolarHBondContact O-CE1 3.34Å; F455-F459 VanDerWaalsContact CZ-O 3.25Å; F455-F459 WeakPolarHBondContact CZ-O 3.48Å; F459-P461 WeakPolarHBondContact O-CD 3.3Å | ||
| 460 | N | 87.7 | Confident | 80.2 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | trans | -104.5 | 69.8 | 170.9 | -175.5 | 23.7 | 0 | 0 | 0 | 110.4 | W427 N429 F451 F455 L462 G463 | W427-N460 HydrophobicContact CD2-CB 3.92Å; W427-N460 VanDerWaalsContact CE2-ND2 3.34Å; W427-N460 HydrophobicContact CE3-CB 4.12Å; W427-N460 HydrophobicContact CG-CB 4.21Å; W427-N460 WeakPolarHBondContact CZ2-ND2 3.48Å; N429-N460 PolarHBondContact ND2-O 3.29Å; F451-N460 HydrophobicContact CE1-CB 4.04Å; F455-N460 HydrophobicContact CE2-CB 4.2Å; F455-N460 HydrophobicContact CZ-CB 4.04Å; N460-L462 PolarHBondContact O-N 2.96Å; N460-G463 WeakPolarHBondContact ND2-CA 3.44Å; N460-G463 WeakPolarHBondContact O-CA 3.35Å; N460-G463 PolarHBondContact O-N 2.84Å; N460-G463 PolarHBondContact OD1-N 3.35Å | ||
| 461 | P | 83.8 | Confident | 79.3 | Confident | 27 Ų | 27 | 52 Ų | 52 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -25.8 | -174.3 | 29.1 | -36.5 | 0 | 0 | 0 | 112.8 | F366 H405 F459 G463 | F366-P461 HydrophobicContact CB-CB 4.38Å; F366-P461 HydrophobicContact CD1-CB 3.74Å; F366-P461 HydrophobicContact CD1-CG 4.28Å; F366-P461 HydrophobicContact CD2-CB 4.22Å; F366-P461 HydrophobicContact CE1-CB 4Å; F366-P461 HydrophobicContact CE1-CG 4.16Å; F366-P461 HydrophobicContact CE2-CB 4.45Å; F366-P461 HydrophobicContact CG-CB 3.87Å; F366-P461 HydrophobicContact CZ-CB 4.36Å; H405-P461 PolarHBondContact NE2-O 3.44Å; F459-P461 WeakPolarHBondContact O-CD 3.3Å; P461-G463 PolarHBondContact O-N 2.96Å |
| 462 | L | 82.6 | Confident | 78.6 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6.8 | 175.2 | -49.5 | -177 | 0 | 0 | 0 | 112.7 | P369 N460 V634 L1031 | P369-L462 HydrophobicContact CB-CD2 4.11Å; N460-L462 PolarHBondContact O-N 2.96Å; L462-V634 HydrophobicContact CD2-CB 4.41Å; L462-V634 HydrophobicContact CD2-CG1 4.03Å; L462-V634 HydrophobicContact CD2-CG2 3.53Å; L462-L1031 HydrophobicContact CD1-CD1 4.46Å |
| 463 | G | 80.8 | Confident | 78.4 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 11% | 0.113 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -63.2 | 142.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W427 N429 N460 P461 | W427-G463 VanDerWaalsContact CH2-CA 3.41Å; N429-G463 PolarHBondContact ND2-O 3.44Å; N460-G463 WeakPolarHBondContact ND2-CA 3.44Å; N460-G463 WeakPolarHBondContact O-CA 3.35Å; N460-G463 PolarHBondContact O-N 2.84Å; N460-G463 PolarHBondContact OD1-N 3.35Å; P461-G463 PolarHBondContact O-N 2.96Å |
| 464 | Q | 81.9 | Confident | 78.8 | Confident | 26 Ų | 26 | 59 Ų | 59 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -56 | 147.6 | 177.8 | -72.9 | 179.1 | 46.7 | 0 | 0 | 112.2 | K670 P709 S710 | Q464-K670 HydrophobicContact CG-CB 4.06Å; Q464-P709 HydrophobicContact CB-CB 3.81Å; Q464-P709 HydrophobicContact CB-CG 3.45Å; Q464-P709 VanDerWaalsContact CB-CG 3.45Å; Q464-S710 PolarHBondContact OE1-OG 3.46Å |
| 465 | L | 85.6 | Confident | 79.8 | Confident | 46 Ų | 46 | 56.1 Ų | 56.1 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 141.1 | -175.1 | -63.1 | 161.2 | 0 | 0 | 0 | 111.5 | H405 N429 R431 P709 | H405-L465 HydrophobicContact CB-CD2 3.76Å; N429-L465 HydrophobicContact CB-CD2 3.72Å; R431-L465 HydrophobicContact CG-CD1 3.5Å; R431-L465 VanDerWaalsContact CG-CD1 3.5Å; R431-L465 HydrophobicContact CG-CD2 3.97Å; R431-L465 HydrophobicContact CG-CG 4.22Å; L465-P709 VanDerWaalsContact O-CB 3.22Å; L465-P709 WeakPolarHBondContact O-CB 3.3Å |
| 466 | G | 85.7 | Confident | 80.7 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 110.6 | 161.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N429 W449 | N429-G466 PolarHBondContact O-N 3.45Å; W449-G466 PolarHBondContact NE1-O 2.96Å |
| 467 | P | 85.1 | Confident | 81.7 | Confident | 45 Ų | 45 | 49.7 Ų | 49.7 | 29% | 0.292 | 27% | 0.266 | S | S | . | . | trans | -73.7 | 156.7 | -177.7 | 31.1 | -35.4 | 0 | 0 | 0 | 112.8 | I428 Y447 T469 | I428-P467 HydrophobicContact CD1-CB 3.83Å; Y447-P467 WeakPolarHBondContact O-CA 3.23Å; P467-T469 HydrophobicContact CG-CG2 4.39Å; P467-T469 PolarHBondContact O-N 2.84Å | ||
| 468 | N | 83.6 | Confident | 82.5 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | trans | -73.5 | 94.7 | 170.9 | -172.1 | -11.9 | 0 | 0 | 0 | 111 | Y447 W449 S470 M471 V475 | Y447-N468 VanDerWaalsContact CB-O 3.23Å; Y447-N468 WeakPolarHBondContact CB-O 3.42Å; Y447-N468 PolarHBondContact O-N 3.43Å; W449-N468 HydrophobicContact CD2-CB 3.88Å; W449-N468 HydrophobicContact CE3-CB 4.28Å; W449-N468 HydrophobicContact CG-CB 4.36Å; W449-N468 HydrophobicContact CH2-CB 4.21Å; W449-N468 VanDerWaalsContact CZ2-CA 3.49Å; W449-N468 HydrophobicContact CZ2-CB 3.79Å; W449-N468 HydrophobicContact CZ3-CB 4.44Å; N468-S470 PolarHBondContact OD1-N 3.4Å; N468-S470 PolarHBondContact OD1-OG 2.83Å; N468-M471 PolarHBondContact OD1-N 3.33Å; N468-V475 HydrophobicContact CB-CG2 4.39Å | ||
| 469 | T | 72.3 | Confident | 83.1 | Confident | 70 Ų | 70 | 47.7 Ų | 47.7 | 43% | 0.429 | 25% | 0.247 | S | C | . | . | trans | -80 | -17.2 | 179.7 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | P467 | P467-T469 HydrophobicContact CG-CG2 4.39Å; P467-T469 PolarHBondContact O-N 2.84Å | ||
| 470 | S | 65.6 | Low | 83.5 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -82.2 | -34.4 | -173.3 | 66.2 | 0 | 0 | 0 | 0 | 113.8 | N468 | N468-S470 PolarHBondContact OD1-N 3.4Å; N468-S470 PolarHBondContact OD1-OG 2.83Å |
| 471 | M | 67.8 | Low | 83.8 | Confident | 73 Ų | 73 | 47.5 Ų | 47.5 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | trans | -119.6 | 38.7 | -174.2 | -65.2 | -176.7 | 171.3 | 0 | 0 | 112.3 | N468 R473 D474 V475 | N468-M471 PolarHBondContact OD1-N 3.33Å; M471-R473 PolarHBondContact O-N 2.92Å; M471-D474 PolarHBondContact O-N 2.98Å; M471-V475 HydrophobicContact CB-CG1 3.81Å; M471-V475 WeakPolarHBondContact O-CG2 3.37Å; M471-V475 PolarHBondContact O-N 3.3Å; M471-V475 HydrophobicContact SD-CG1 4.48Å | ||
| 472 | K | 70.1 | Confident | 84.3 | Confident | 112 Ų | 112 | 46.2 Ų | 46.2 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -27.2 | -173.1 | -68.8 | -174.5 | -177.5 | -179.8 | 0 | 114.6 | Y447 | Y447-K472 HydrophobicContact CD1-CB 4.08Å; Y447-K472 HydrophobicContact CD1-CG 4.22Å; Y447-K472 HydrophobicContact CD2-CD 4.49Å; Y447-K472 HydrophobicContact CD2-CG 4.13Å; Y447-K472 HydrophobicContact CE1-CB 3.82Å; Y447-K472 HydrophobicContact CE1-CG 4.14Å; Y447-K472 VanDerWaalsContact CE1-O 3.26Å; Y447-K472 WeakPolarHBondContact CE1-O 3.45Å; Y447-K472 HydrophobicContact CE2-CD 4.03Å; Y447-K472 HydrophobicContact CE2-CG 4.05Å; Y447-K472 HydrophobicContact CG-CG 4.21Å |
| 473 | R | 72.8 | Confident | 83.8 | Confident | 220 Ų | 220 | 46 Ų | 46 | 83% | 0.83 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -17.8 | -178.4 | -65.3 | -174.6 | -179.9 | -176.9 | 1.1 | 114.3 | N350 M471 | N350-R473 PolarHBondContact ND2-O 3.47Å; M471-R473 PolarHBondContact O-N 2.92Å |
| 474 | D | 82 | Confident | 83.2 | Confident | 126 Ų | 126 | 49.8 Ų | 49.8 | 67% | 0.674 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | 1.9 | -167.5 | -56.2 | -40.9 | 0 | 0 | 0 | 113.7 | M471 | M471-D474 PolarHBondContact O-N 2.98Š|
| 475 | V | 88.2 | Confident | 82.4 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -118.5 | 154.6 | 179.6 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | N350 Y447 M448 N468 M471 C477 | N350-V475 PolarHBondContact ND2-N 3.13Å; N350-V475 PolarHBondContact ND2-O 3.37Å; Y447-V475 HydrophobicContact CD1-CG2 4.33Å; M448-V475 WeakPolarHBondContact O-CB 3.38Å; N468-V475 HydrophobicContact CB-CG2 4.39Å; M471-V475 HydrophobicContact CB-CG1 3.81Å; M471-V475 WeakPolarHBondContact O-CG2 3.37Å; M471-V475 PolarHBondContact O-N 3.3Å; M471-V475 HydrophobicContact SD-CG1 4.48Å; V475-C477 PolarHBondContact O-N 2.87Å |
| 476 | P | 92.9 | Very high | 81.2 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | trans | -54.1 | 137.7 | 171.1 | -27 | 36 | 0 | 0 | 0 | 111.9 | Y349 N350 V351 L410 M448 | Y349-P476 WeakPolarHBondContact O-CA 3.29Å; N350-P476 WeakPolarHBondContact O-CA 3.47Å; V351-P476 HydrophobicContact CG2-CB 4.29Å; L410-P476 HydrophobicContact CD2-CB 4.14Å; M448-P476 HydrophobicContact CB-CB 4.34Å; M448-P476 HydrophobicContact CG-CB 4.4Å; M448-P476 WeakPolarHBondContact CG-O 3.31Å; M448-P476 PolarHBondContact N-O 2.91Å; M448-P476 HydrophobicContact SD-CB 4.14Å | ||
| 477 | C | 94.6 | Very high | 80.7 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121.4 | 174.8 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | A348 Y349 L446 Y447 V475 | A348-C477 CarbonylContact C-O 3.56Å; A348-C477 VanDerWaalsContact CA-O 3.28Å; A348-C477 WeakPolarHBondContact CA-O 3.48Å; Y349-C477 PolarHBondContact N-O 2.84Å; Y349-C477 PolarHBondContact O-N 3.2Å; L446-C477 WeakPolarHBondContact O-CA 3.49Å; Y447-C477 HydrophobicContact CD1-CB 4.01Å; Y447-C477 HydrophobicContact CE1-CB 4.11Å; V475-C477 PolarHBondContact O-N 2.87Å |
| 478 | L | 96.3 | Very high | 80.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.1 | 176.9 | -177 | 71.2 | 0 | 0 | 0 | 110.2 | V345 A348 V361 F408 L446 M448 V480 | V345-L478 HydrophobicContact CG1-CD1 4.08Å; A348-L478 HydrophobicContact CB-CD1 4.19Å; V361-L478 HydrophobicContact CG1-CD2 3.98Å; V361-L478 HydrophobicContact CG2-CD1 3.85Å; F408-L478 HydrophobicContact CB-CD2 3.96Å; F408-L478 HydrophobicContact CD1-CD2 3.61Å; F408-L478 HydrophobicContact CE1-CD2 4.38Å; F408-L478 HydrophobicContact CG-CD2 3.95Å; L446-L478 HydrophobicContact CB-CB 4.25Å; L446-L478 VanDerWaalsContact CB-O 3.28Å; L446-L478 WeakPolarHBondContact CB-O 3.49Å; L446-L478 PolarHBondContact N-O 3.25Å; L446-L478 PolarHBondContact O-N 3.23Å; M448-L478 HydrophobicContact SD-CB 4.15Å; L478-V480 HydrophobicContact CD2-CG1 3.83Å; L478-V480 HydrophobicContact CG-CG1 3.87Å |
| 479 | H | 96.7 | Very high | 80.9 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 26% | 0.259 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.3 | 173.8 | -75.7 | -163.3 | 0 | 0 | 0 | 110.1 | I346 A347 Y349 S445 | I346-H479 HydrophobicContact CB-CB 4.16Å; I346-H479 WeakPolarHBondContact CB-O 3.33Å; I346-H479 PolarHBondContact N-O 3.2Å; A347-H479 PolarHBondContact N-O 2.92Å; A347-H479 PolarHBondContact O-N 3.42Å; Y349-H479 AromaticContact CE2-CE1 3.69Å; Y349-H479 AromaticContact CE2-CG 3.86Å; Y349-H479 AromaticContact CE2-ND1 3.55Å; S445-H479 PolarHBondContact OG-CD2 2.97Å; S445-H479 VanDerWaalsContact OG-CD2 3.31Å; S445-H479 PolarHBondContact OG-NE2 3.48Å |
| 480 | V | 96.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 162.3 | 179.8 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | I343 K344 F408 K443 Q444 L446 L478 F482 | I343-V480 HydrophobicContact CG2-CB 4.25Å; K344-V480 CarbonylContact O-C 3.58Å; K344-V480 VanDerWaalsContact O-CA 3.25Å; K344-V480 WeakPolarHBondContact O-CA 3.44Å; F408-V480 HydrophobicContact CD1-CG1 4.4Å; F408-V480 HydrophobicContact CE1-CG1 3.84Å; F408-V480 HydrophobicContact CZ-CG1 4.24Å; F408-V480 HydrophobicContact CZ-CG2 4.41Å; K443-V480 CarbonylContact C-O 3.58Å; K443-V480 WeakPolarHBondContact CA-O 3.4Å; Q444-V480 HydrophobicContact CB-CG2 4.25Å; Q444-V480 PolarHBondContact N-O 2.86Å; Q444-V480 PolarHBondContact O-N 3.44Å; L446-V480 HydrophobicContact CD1-CG1 4.19Å; L446-V480 HydrophobicContact CD1-CG2 3.58Å; L446-V480 HydrophobicContact CG-CG2 4.04Å; L478-V480 HydrophobicContact CD2-CG1 3.83Å; L478-V480 HydrophobicContact CG-CG1 3.87Å; V480-F482 HydrophobicContact CG2-CD2 4.17Å; V480-F482 HydrophobicContact CG2-CE2 3.46Å; V480-F482 VanDerWaalsContact CG2-CE2 3.46Å; V480-F482 HydrophobicContact CG2-CZ 3.81Å |
| 481 | E | 95.6 | Very high | 83 | Confident | 44 Ų | 44 | 64 Ų | 64 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 122.8 | 173.2 | -179.7 | 171.3 | -142.5 | 0 | 0 | 109.9 | K344 I346 G442 K443 | K344-E481 HydrophobicContact CB-CB 4.11Å; K344-E481 PolarHBondContact N-O 3.45Å; K344-E481 PolarHBondContact O-N 3.13Å; I346-E481 HydrophobicContact CD1-CB 4.05Å; G442-E481 WeakPolarHBondContact O-CA 3.29Å; K443-E481 WeakPolarHBondContact CE-OE1 3.38Å; K443-E481 HydrophobicContact CG-CB 4Å; K443-E481 HydrophobicContact CG-CG 3.91Å |
| 482 | F | 92.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 142.5 | 178 | -63.3 | -81.1 | 0 | 0 | 0 | 110.4 | F341 I343 V406 F408 L430 I440 H441 G442 Q444 V480 | F341-F482 AromaticContact CZ-CD1 3.94Å; F341-F482 HydrophobicContact CZ-CD1 3.94Å; F341-F482 HydrophobicContact CZ-CE1 4.42Å; I343-F482 HydrophobicContact CD1-CD1 4.25Å; I343-F482 HydrophobicContact CD1-CE1 3.78Å; I343-F482 HydrophobicContact CG1-CD1 3.82Å; I343-F482 HydrophobicContact CG1-CE1 3.85Å; I343-F482 HydrophobicContact CG2-CE1 4.37Å; V406-F482 HydrophobicContact CG1-CE1 4.12Å; V406-F482 HydrophobicContact CG1-CZ 4.3Å; F408-F482 HydrophobicContact CE2-CE1 4.49Å; F408-F482 AromaticContact CE2-CZ 3.99Å; F408-F482 HydrophobicContact CE2-CZ 3.99Å; F408-F482 HydrophobicContact CZ-CE1 4.02Å; F408-F482 AromaticContact CZ-CZ 3.75Å; F408-F482 HydrophobicContact CZ-CZ 3.75Å; L430-F482 HydrophobicContact CD1-CE2 4.25Å; L430-F482 HydrophobicContact CD1-CZ 4Å; I440-F482 HydrophobicContact CD1-CD1 3.42Å; I440-F482 VanDerWaalsContact CD1-CD1 3.42Å; I440-F482 HydrophobicContact CD1-CD2 3.97Å; I440-F482 HydrophobicContact CD1-CE1 3.34Å; I440-F482 HydrophobicContact CD1-CE2 3.89Å; I440-F482 HydrophobicContact CD1-CG 3.75Å; I440-F482 HydrophobicContact CD1-CZ 3.58Å; I440-F482 HydrophobicContact CG1-CB 4.23Å; I440-F482 HydrophobicContact CG1-CD1 3.85Å; I440-F482 HydrophobicContact CG1-CD2 4.35Å; I440-F482 HydrophobicContact CG1-CE1 4.28Å; I440-F482 HydrophobicContact CG1-CG 3.89Å; I440-F482 WeakPolarHBondContact O-CB 3.46Å; H441-F482 CarbonylContact C-O 3.6Å; G442-F482 PolarHBondContact N-O 2.87Å; G442-F482 PolarHBondContact O-N 3.49Å; Q444-F482 HydrophobicContact CB-CE2 4.26Å; Q444-F482 HydrophobicContact CG-CD2 4.07Å; Q444-F482 HydrophobicContact CG-CE2 4.06Å; V480-F482 HydrophobicContact CG2-CD2 4.17Å; V480-F482 HydrophobicContact CG2-CE2 3.46Å; V480-F482 VanDerWaalsContact CG2-CE2 3.46Å; V480-F482 HydrophobicContact CG2-CZ 3.81Å |
| 483 | G | 73.4 | Confident | 85 | Confident | 26 Ų | 26 | 58.1 Ų | 58.1 | 27% | 0.268 | 28% | 0.279 | S | S | . | . | trans | 58.3 | 96.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T485 | G483-T485 PolarHBondContact O-N 2.8Š| ||
| 484 | F | 67.3 | Low | 85.7 | Confident | 91 Ų | 91 | 50.7 Ų | 50.7 | 40% | 0.399 | 26% | 0.264 | S | S | . | . | trans | -75.4 | 2 | 177.8 | -51.5 | -71.4 | 0 | 0 | 0 | 114.4 | R342 K344 V390 | R342-F484 HydrophobicContact CB-CD2 4.15Å; R342-F484 HydrophobicContact CB-CE2 3.61Å; K344-F484 HydrophobicContact CB-CE1 3.84Å; K344-F484 HydrophobicContact CB-CZ 3.77Å; K344-F484 HydrophobicContact CD-CE1 4.21Å; V390-F484 HydrophobicContact CB-CZ 4.38Å; V390-F484 HydrophobicContact CG1-CE2 3.61Å; V390-F484 HydrophobicContact CG1-CZ 3.7Å; V390-F484 HydrophobicContact CG2-CE1 4.47Å; V390-F484 HydrophobicContact CG2-CE2 4.44Å; V390-F484 HydrophobicContact CG2-CZ 3.8Å | ||
| 485 | T | 64.9 | Low | 85.9 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -94.1 | 131.2 | -174.7 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | G483 R487 | G483-T485 PolarHBondContact O-N 2.8Å; T485-R487 PolarHBondContact O-N 2.95Å |
| 486 | E | 61.5 | Low | 86 | Confident | 204 Ų | 204 | 50.6 Ų | 50.6 | 95% | 0.953 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -67 | 4.5 | -179.8 | -61.8 | -173.2 | 165.1 | 0 | 0 | 114.8 | ||
| 487 | R | 74 | Confident | 85.8 | Confident | 157 Ų | 157 | 51.8 Ų | 51.8 | 59% | 0.592 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -110.6 | 136.8 | -177.9 | -62.3 | -172.3 | -177.1 | -172.9 | 0.3 | 110.7 | V332 T485 I489 | V332-R487 HydrophobicContact CG2-CB 4.23Å; T485-R487 PolarHBondContact O-N 2.95Å; R487-I489 PolarHBondContact O-N 2.99Å |
| 488 | H | 83.2 | Confident | 85.4 | Confident | 55 Ų | 55 | 58 Ų | 58 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | trans | -66.4 | 130.9 | 168.1 | -64.2 | -82.8 | 0 | 0 | 0 | 109.6 | F328 A331 V332 H441 | F328-H488 HydrophobicContact CB-CB 4.37Å; F328-H488 HydrophobicContact CD1-CB 4.45Å; F328-H488 AromaticContact CD1-CD2 3.51Å; F328-H488 AromaticContact CD1-CG 3.82Å; F328-H488 AromaticContact CD1-NE2 3.74Å; F328-H488 HydrophobicContact CD2-CB 4.38Å; F328-H488 AromaticContact CE1-CD2 3.84Å; F328-H488 AromaticContact CE1-CE1 3.63Å; F328-H488 AromaticContact CE1-ND1 3.9Å; F328-H488 AromaticContact CE1-NE2 3.6Å; F328-H488 HydrophobicContact CG-CB 4.16Å; A331-H488 CarbonylContact C-O 3.53Å; A331-H488 VanDerWaalsContact CA-O 3.3Å; A331-H488 WeakPolarHBondContact CA-O 3.45Å; A331-H488 HydrophobicContact CB-CB 4.33Å; V332-H488 PolarHBondContact N-O 3.39Å; H441-H488 AromaticContact CD2-ND1 3.81Å; H441-H488 AromaticContact CE1-CE1 3.44Å; H441-H488 PolarHBondContact CE1-CE1 3.32Å; H441-H488 VanDerWaalsContact CE1-CE1 3.44Å; H441-H488 AromaticContact CE1-ND1 3.86Å; H441-H488 AromaticContact NE2-CE1 3.27Å; H441-H488 PolarHBondContact NE2-CE1 3.1Å; H441-H488 VanDerWaalsContact NE2-CE1 3.27Å; H441-H488 AromaticContact NE2-ND1 3.36Å; H441-H488 PolarHBondContact NE2-ND1 2.8Å | ||
| 489 | I | 89.8 | Confident | 85 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.2 | 175.6 | -62.1 | 171.5 | 0 | 0 | 0 | 107 | V332 M334 V337 I397 C438 L439 R487 | V332-I489 WeakPolarHBondContact O-CA 3.3Å; M334-I489 HydrophobicContact CB-CG2 3.69Å; M334-I489 HydrophobicContact CG-CG2 3.77Å; V337-I489 HydrophobicContact CG1-CD1 4.22Å; V337-I489 HydrophobicContact CG2-CD1 4.2Å; V337-I489 HydrophobicContact CG2-CG1 4.33Å; V337-I489 HydrophobicContact CG2-CG2 4.11Å; I397-I489 HydrophobicContact CD1-CD1 4.09Å; I397-I489 HydrophobicContact CG2-CG2 4.24Å; C438-I489 CarbonylContact C-O 3.59Å; C438-I489 WeakPolarHBondContact CA-O 3.39Å; L439-I489 HydrophobicContact CB-CB 4.08Å; L439-I489 HydrophobicContact CB-CG2 4.3Å; L439-I489 HydrophobicContact CD2-CB 4.43Å; L439-I489 HydrophobicContact CD2-CD1 4.13Å; L439-I489 PolarHBondContact N-O 3.47Å; R487-I489 PolarHBondContact O-N 2.99Å |
| 490 | Q | 91 | Very high | 84.5 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.1 | -175.7 | -165.3 | 176.9 | 21.9 | 0 | 0 | 110.8 | A331 V332 M334 Q436 D437 | A331-Q490 HydrophobicContact CB-CB 4.01Å; V332-Q490 PolarHBondContact O-N 3.34Å; M334-Q490 WeakPolarHBondContact CB-O 3.41Å; M334-Q490 PolarHBondContact N-O 3.41Å; Q436-Q490 PolarHBondContact O-NE2 3.13Å; D437-Q490 HydrophobicContact CB-CG 4.29Å; D437-Q490 CarbonylContact O-C 3.53Å; D437-Q490 WeakPolarHBondContact O-CA 3.42Å; D437-Q490 VanDerWaalsContact O-CG 3.31Å; D437-Q490 WeakPolarHBondContact O-CG 3.38Å |
| 491 | F | 91.9 | Very high | 83.9 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 142.7 | 171.4 | -163.3 | -99.3 | 0 | 0 | 0 | 109.9 | M334 W335 L402 I433 D437 T493 Y614 F640 | M334-F491 HydrophobicContact CE-CD2 3.42Å; M334-F491 VanDerWaalsContact CE-CD2 3.42Å; M334-F491 HydrophobicContact CE-CE2 3.67Å; M334-F491 HydrophobicContact SD-CD2 4.18Å; W335-F491 HydrophobicContact CZ2-CZ 4.25Å; L402-F491 HydrophobicContact CB-CE1 4.49Å; L402-F491 HydrophobicContact CB-CE2 3.88Å; L402-F491 HydrophobicContact CB-CZ 3.85Å; L402-F491 HydrophobicContact CD1-CD1 4.12Å; L402-F491 HydrophobicContact CD1-CD2 3.9Å; L402-F491 HydrophobicContact CD1-CE1 4.29Å; L402-F491 HydrophobicContact CD1-CE2 4.08Å; L402-F491 HydrophobicContact CD1-CG 3.93Å; L402-F491 HydrophobicContact CD1-CZ 4.27Å; L402-F491 HydrophobicContact CD2-CE1 4.16Å; L402-F491 HydrophobicContact CD2-CZ 4.32Å; L402-F491 HydrophobicContact CG-CE2 4.48Å; L402-F491 HydrophobicContact CG-CZ 4.38Å; I433-F491 HydrophobicContact CD1-CD2 3.76Å; I433-F491 HydrophobicContact CD1-CE2 4.37Å; D437-F491 HydrophobicContact CB-CB 4.09Å; D437-F491 WeakPolarHBondContact O-CB 3.4Å; D437-F491 PolarHBondContact O-N 2.88Å; F491-T493 PolarHBondContact O-N 2.87Å; F491-Y614 HydrophobicContact CE1-CE2 4.3Å; F491-Y614 HydrophobicContact CZ-CE2 4.06Å; F491-F640 HydrophobicContact CE1-CE2 4.26Å |
| 492 | P | 90.5 | Very high | 83.4 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 137.3 | -172.1 | -12.6 | 18.3 | 0 | 0 | 0 | 112.7 | W335 Q496 R497 | W335-P492 HydrophobicContact CB-CG 4.05Å; W335-P492 HydrophobicContact CD2-CB 4.33Å; W335-P492 HydrophobicContact CD2-CG 3.22Å; W335-P492 VanDerWaalsContact CE2-CG 3.47Å; W335-P492 HydrophobicContact CE3-CB 4.31Å; W335-P492 HydrophobicContact CE3-CG 3.64Å; W335-P492 HydrophobicContact CG-CG 3.41Å; W335-P492 VanDerWaalsContact CG-CG 3.41Å; W335-P492 HydrophobicContact CH2-CG 4.39Å; W335-P492 HydrophobicContact CZ2-CG 4.07Å; W335-P492 HydrophobicContact CZ3-CG 4.19Å; P492-Q496 VanDerWaalsContact CA-OE1 3.26Å; P492-Q496 HydrophobicContact CB-CB 3.89Å; P492-R497 HydrophobicContact CB-CG 3.85Å; P492-R497 PolarHBondContact O-NH1 2.99Å |
| 493 | T | 89.6 | Confident | 83 | Confident | 60 Ų | 60 | 64.9 Ų | 64.9 | 37% | 0.368 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 166.2 | 174.3 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | F491 D495 Q496 R497 | F491-T493 PolarHBondContact O-N 2.87Å; T493-D495 VanDerWaalsContact C-N 3.26Å; T493-D495 PolarHBondContact O-N 3.01Å; T493-Q496 PolarHBondContact O-N 3.01Å; T493-Q496 VanDerWaalsContact O-N 3.11Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.25Å; T493-Q496 PolarHBondContact OG1-N 3.33Å; T493-R497 WeakPolarHBondContact O-CG 3.39Å; T493-R497 PolarHBondContact O-N 3.32Å |
| 494 | A | 87.2 | Confident | 83.4 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 52% | 0.521 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R497 K498 | A494-R497 PolarHBondContact O-N 3.34Å; A494-K498 PolarHBondContact O-N 3.49Å |
| 495 | D | 87.1 | Confident | 83.9 | Confident | 115 Ų | 115 | 64.2 Ų | 64.2 | 62% | 0.615 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.9 | -44 | 176.5 | -72.1 | -27 | 0 | 0 | 0 | 112.2 | T493 K498 M499 | T493-D495 VanDerWaalsContact C-N 3.26Å; T493-D495 PolarHBondContact O-N 3.01Å; D495-K498 WeakPolarHBondContact O-CB 3.31Å; D495-K498 PolarHBondContact O-N 2.91Å; D495-M499 HydrophobicContact CB-CE 4.11Å; D495-M499 WeakPolarHBondContact O-CG 3.37Å; D495-M499 PolarHBondContact O-N 3.39Å |
| 496 | Q | 88.9 | Confident | 84.5 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 10% | 0.098 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 176.9 | -72.3 | 170.4 | -18.1 | 0 | 0 | 110.7 | C333 P492 T493 K498 M499 F500 | C333-Q496 PolarHBondContact SG-OE1 3.24Å; P492-Q496 VanDerWaalsContact CA-OE1 3.26Å; P492-Q496 HydrophobicContact CB-CB 3.89Å; T493-Q496 PolarHBondContact O-N 3.01Å; T493-Q496 VanDerWaalsContact O-N 3.11Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.25Å; T493-Q496 PolarHBondContact OG1-N 3.33Å; Q496-K498 VanDerWaalsContact C-N 3.28Å; Q496-K498 PolarHBondContact O-N 3.45Å; Q496-M499 WeakPolarHBondContact O-CA 3.36Å; Q496-M499 WeakPolarHBondContact O-CB 3.38Å; Q496-M499 PolarHBondContact O-N 3.23Å; Q496-F500 WeakPolarHBondContact O-CD2 3.32Å; Q496-F500 PolarHBondContact O-N 3.27Å |
| 497 | R | 89.1 | Confident | 85 | Confident | 47 Ų | 47 | 60 Ų | 60 | 18% | 0.177 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.7 | -42 | 175.8 | -67.1 | -168.3 | -57.9 | -95 | 7.3 | 111.7 | W335 P492 T493 A494 M499 F500 A501 C611 F640 | W335-R497 HydrophobicContact CH2-CG 3.96Å; W335-R497 HydrophobicContact CZ3-CB 4.5Å; W335-R497 HydrophobicContact CZ3-CG 4.1Å; P492-R497 HydrophobicContact CB-CG 3.85Å; P492-R497 PolarHBondContact O-NH1 2.99Å; T493-R497 WeakPolarHBondContact O-CG 3.39Å; T493-R497 PolarHBondContact O-N 3.32Å; A494-R497 PolarHBondContact O-N 3.34Å; R497-M499 VanDerWaalsContact C-N 3.34Å; R497-M499 PolarHBondContact O-N 3.11Å; R497-F500 PolarHBondContact O-N 2.82Å; R497-A501 WeakPolarHBondContact O-CB 3.45Å; R497-A501 PolarHBondContact O-N 2.79Å; R497-C611 PolarHBondContact O-SG 2.9Å; R497-C611 VanDerWaalsContact O-SG 3.42Å; R497-F640 VanDerWaalsContact CZ-CZ 3.43Å; R497-F640 VanDerWaalsContact NH2-CZ 3.25Å |
| 498 | K | 86.5 | Confident | 84.8 | Confident | 141 Ų | 141 | 54 Ų | 54 | 61% | 0.613 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.2 | -39.9 | 174.5 | -171 | 177.1 | -176.4 | 175 | 0 | 112.3 | A494 D495 Q496 A501 N502 | A494-K498 PolarHBondContact O-N 3.49Å; D495-K498 WeakPolarHBondContact O-CB 3.31Å; D495-K498 PolarHBondContact O-N 2.91Å; Q496-K498 VanDerWaalsContact C-N 3.28Å; Q496-K498 PolarHBondContact O-N 3.45Å; K498-A501 PolarHBondContact O-N 3.02Å; K498-N502 WeakPolarHBondContact O-CB 3.48Å; K498-N502 PolarHBondContact O-N 2.86Å; K498-N502 PolarHBondContact O-ND2 3.35Å |
| 499 | M | 87.2 | Confident | 84.1 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 46% | 0.458 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 175.5 | -65.2 | -178.3 | -122.7 | 0 | 0 | 112.1 | D495 Q496 R497 F503 I525 | D495-M499 HydrophobicContact CB-CE 4.11Å; D495-M499 WeakPolarHBondContact O-CG 3.37Å; D495-M499 PolarHBondContact O-N 3.39Å; Q496-M499 WeakPolarHBondContact O-CA 3.36Å; Q496-M499 WeakPolarHBondContact O-CB 3.38Å; Q496-M499 PolarHBondContact O-N 3.23Å; R497-M499 VanDerWaalsContact C-N 3.34Å; R497-M499 PolarHBondContact O-N 3.11Å; M499-F503 WeakPolarHBondContact O-CB 3.45Å; M499-F503 PolarHBondContact O-N 3.38Å; M499-I525 HydrophobicContact CB-CD1 3.62Å; M499-I525 HydrophobicContact CB-CG2 4.26Å; M499-I525 HydrophobicContact SD-CG2 3.71Å |
| 500 | F | 87 | Confident | 82.7 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.009 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 173.8 | -79.8 | -77.7 | 0 | 0 | 0 | 111.9 | W335 Q496 R497 N502 F503 F504 P523 I525 | W335-F500 HydrophobicContact CB-CE1 4.01Å; W335-F500 HydrophobicContact CB-CE2 3.87Å; W335-F500 HydrophobicContact CB-CZ 3.56Å; W335-F500 HydrophobicContact CD2-CD2 4.45Å; W335-F500 HydrophobicContact CE3-CB 3.91Å; W335-F500 HydrophobicContact CE3-CD1 4.03Å; W335-F500 AromaticContact CE3-CD2 3.38Å; W335-F500 HydrophobicContact CE3-CD2 3.38Å; W335-F500 HydrophobicContact CE3-CE1 4.39Å; W335-F500 AromaticContact CE3-CE2 3.83Å; W335-F500 HydrophobicContact CE3-CE2 3.83Å; W335-F500 AromaticContact CE3-CG 3.52Å; W335-F500 HydrophobicContact CE3-CG 3.52Å; W335-F500 HydrophobicContact CE3-CZ 4.32Å; W335-F500 HydrophobicContact CZ3-CB 3.78Å; W335-F500 AromaticContact CZ3-CD2 3.93Å; W335-F500 HydrophobicContact CZ3-CD2 3.93Å; W335-F500 AromaticContact CZ3-CG 3.94Å; W335-F500 HydrophobicContact CZ3-CG 3.94Å; Q496-F500 WeakPolarHBondContact O-CD2 3.32Å; Q496-F500 PolarHBondContact O-N 3.27Å; R497-F500 PolarHBondContact O-N 2.82Å; F500-N502 PolarHBondContact O-N 3.21Å; F500-F503 WeakPolarHBondContact O-CB 3.47Å; F500-F503 PolarHBondContact O-N 2.95Å; F500-F503 VanDerWaalsContact O-N 3.09Å; F500-F504 HydrophobicContact CB-CD2 4.4Å; F500-F504 HydrophobicContact CB-CE2 4.04Å; F500-F504 HydrophobicContact CD1-CE2 4.26Å; F500-F504 HydrophobicContact CD1-CZ 4.4Å; F500-F504 WeakPolarHBondContact O-CD2 2.81Å; F500-F504 PolarHBondContact O-N 3.23Å; F500-P523 HydrophobicContact CD1-CB 3.98Å; F500-P523 HydrophobicContact CD1-CG 3.58Å; F500-P523 HydrophobicContact CE1-CB 3.89Å; F500-P523 HydrophobicContact CE1-CG 3.63Å; F500-I525 HydrophobicContact CB-CD1 4.24Å; F500-I525 HydrophobicContact CD1-CD1 3.66Å; F500-I525 HydrophobicContact CD1-CG1 4.26Å; F500-I525 HydrophobicContact CD2-CD1 3.49Å; F500-I525 VanDerWaalsContact CD2-CD1 3.49Å; F500-I525 HydrophobicContact CD2-CG1 4.35Å; F500-I525 HydrophobicContact CE1-CD1 3.81Å; F500-I525 HydrophobicContact CE1-CG1 3.91Å; F500-I525 HydrophobicContact CE2-CB 4.13Å; F500-I525 HydrophobicContact CE2-CD1 3.63Å; F500-I525 HydrophobicContact CE2-CG1 3.99Å; F500-I525 HydrophobicContact CG-CD1 3.49Å; F500-I525 VanDerWaalsContact CG-CD1 3.49Å; F500-I525 HydrophobicContact CG-CG1 4.46Å; F500-I525 HydrophobicContact CZ-CB 4.07Å; F500-I525 HydrophobicContact CZ-CD1 3.78Å; F500-I525 HydrophobicContact CZ-CG1 3.75Å |
| 501 | A | 84.3 | Confident | 81 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 17% | 0.165 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.3 | -50.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | R497 K498 F503 F504 E505 C611 | R497-A501 WeakPolarHBondContact O-CB 3.45Å; R497-A501 PolarHBondContact O-N 2.79Å; K498-A501 PolarHBondContact O-N 3.02Å; A501-F503 PolarHBondContact O-N 2.89Å; A501-F504 PolarHBondContact O-N 3.09Å; A501-E505 WeakPolarHBondContact O-CB 3.47Å; A501-E505 PolarHBondContact O-N 2.86Å; A501-C611 VanDerWaalsContact CA-SG 3.57Å; A501-C611 PolarHBondContact N-SG 2.88Å; A501-C611 VanDerWaalsContact N-SG 3.35Å |
| 502 | N | 84.7 | Confident | 79 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 41% | 0.406 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.2 | -36.4 | 176.2 | -71.7 | -25.7 | 0 | 0 | 0 | 112.4 | K498 F500 K506 | K498-N502 WeakPolarHBondContact O-CB 3.48Å; K498-N502 PolarHBondContact O-N 2.86Å; K498-N502 PolarHBondContact O-ND2 3.35Å; F500-N502 PolarHBondContact O-N 3.21Å; N502-K506 VanDerWaalsContact O-CG 3.3Å; N502-K506 WeakPolarHBondContact O-CG 3.38Å; N502-K506 PolarHBondContact O-N 2.93Å; N502-K506 VanDerWaalsContact O-N 3.13Å |
| 503 | F | 83 | Confident | 77.1 | Confident | 53 Ų | 53 | 76 Ų | 76 | 23% | 0.232 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.9 | -50.6 | 177 | 177.2 | -87.6 | 0 | 0 | 0 | 111.4 | M499 F500 A501 E505 K506 Q507 F520 V521 P523 | M499-F503 WeakPolarHBondContact O-CB 3.45Å; M499-F503 PolarHBondContact O-N 3.38Å; F500-F503 WeakPolarHBondContact O-CB 3.47Å; F500-F503 PolarHBondContact O-N 2.95Å; F500-F503 VanDerWaalsContact O-N 3.09Å; A501-F503 PolarHBondContact O-N 2.89Å; F503-E505 VanDerWaalsContact C-N 3.3Å; F503-E505 PolarHBondContact O-N 3.38Å; F503-K506 PolarHBondContact O-N 3.1Å; F503-Q507 HydrophobicContact CD1-CG 4.16Å; F503-Q507 HydrophobicContact CE1-CG 3.72Å; F503-Q507 HydrophobicContact CZ-CG 3.96Å; F503-Q507 WeakPolarHBondContact O-CG 3.47Å; F503-Q507 PolarHBondContact O-N 2.93Å; F503-Q507 VanDerWaalsContact O-N 3.07Å; F503-F520 AromaticContact CE1-CE2 3.73Å; F503-F520 HydrophobicContact CE1-CE2 3.73Å; F503-F520 AromaticContact CE1-CZ 3.86Å; F503-F520 HydrophobicContact CE1-CZ 3.86Å; F503-F520 HydrophobicContact CZ-CE2 4.33Å; F503-V521 WeakPolarHBondContact CZ-O 3.33Å; F503-P523 HydrophobicContact CB-CB 4.41Å; F503-P523 HydrophobicContact CD1-CB 3.58Å; F503-P523 HydrophobicContact CD1-CG 3.45Å; F503-P523 VanDerWaalsContact CD1-CG 3.45Å; F503-P523 HydrophobicContact CD2-CB 3.95Å; F503-P523 HydrophobicContact CE1-CB 3.71Å; F503-P523 VanDerWaalsContact CE1-CD 3.45Å; F503-P523 HydrophobicContact CE1-CG 3.53Å; F503-P523 HydrophobicContact CE2-CB 4.06Å; F503-P523 HydrophobicContact CG-CB 3.7Å; F503-P523 HydrophobicContact CG-CG 4.08Å; F503-P523 HydrophobicContact CZ-CB 3.94Å; F503-P523 HydrophobicContact CZ-CG 4.21Å |
| 504 | F | 83 | Confident | 74.9 | Confident | 17 Ų | 17 | 83.6 Ų | 83.6 | 8% | 0.075 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 179.5 | -66.3 | -53.9 | 0 | 0 | 0 | 112 | F500 A501 Q507 R508 F520 P523 L546 A608 C611 | F500-F504 HydrophobicContact CB-CD2 4.4Å; F500-F504 HydrophobicContact CB-CE2 4.04Å; F500-F504 HydrophobicContact CD1-CE2 4.26Å; F500-F504 HydrophobicContact CD1-CZ 4.4Å; F500-F504 WeakPolarHBondContact O-CD2 2.81Å; F500-F504 PolarHBondContact O-N 3.23Å; A501-F504 PolarHBondContact O-N 3.09Å; F504-Q507 PolarHBondContact O-N 2.87Å; F504-R508 WeakPolarHBondContact O-CG 3.22Å; F504-R508 PolarHBondContact O-N 3.32Å; F504-F520 HydrophobicContact CE1-CZ 4.16Å; F504-P523 HydrophobicContact CE1-CG 4.2Å; F504-P523 HydrophobicContact CZ-CG 4.17Å; F504-L546 HydrophobicContact CD1-CD1 4.16Å; F504-A608 HydrophobicContact CD1-CB 3.72Å; F504-A608 HydrophobicContact CD2-CB 4.02Å; F504-A608 HydrophobicContact CE1-CB 3.79Å; F504-A608 HydrophobicContact CE2-CB 4.08Å; F504-A608 HydrophobicContact CG-CB 3.85Å; F504-A608 HydrophobicContact CZ-CB 3.98Å; F504-C611 HydrophobicContact CD2-CB 4.21Å; F504-C611 HydrophobicContact CE2-CB 4.19Å |
| 505 | E | 77.7 | Confident | 72.8 | Confident | 85 Ų | 85 | 91.6 Ų | 91.6 | 40% | 0.397 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 175.2 | -166.3 | -170.1 | 172.3 | 0 | 0 | 112 | A501 F503 Q507 R508 R509 | A501-E505 WeakPolarHBondContact O-CB 3.47Å; A501-E505 PolarHBondContact O-N 2.86Å; F503-E505 VanDerWaalsContact C-N 3.3Å; F503-E505 PolarHBondContact O-N 3.38Å; E505-Q507 VanDerWaalsContact C-N 3.27Å; E505-Q507 PolarHBondContact O-N 3.47Å; E505-R508 PolarHBondContact O-N 3.37Å; E505-R509 PolarHBondContact O-N 3.46Å; E505-R509 VanDerWaalsContact O-N 3.09Å; E505-R509 IonicContact OE1-CZ 3.81Å; E505-R509 IonicContact OE1-NE 3.36Å; E505-R509 PolarHBondContact OE1-NE 3.26Å; E505-R509 IonicContact OE1-NH2 2.79Å; E505-R509 PolarHBondContact OE1-NH2 3.08Å |
| 506 | K | 78 | Confident | 70.7 | Confident | 139 Ų | 139 | 88.6 Ų | 88.6 | 60% | 0.604 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -57.9 | -41.6 | 175.6 | -78.1 | 174.2 | 176.7 | 179.7 | 0 | 111.8 | N502 F503 R509 H510 | N502-K506 VanDerWaalsContact O-CG 3.3Å; N502-K506 WeakPolarHBondContact O-CG 3.38Å; N502-K506 PolarHBondContact O-N 2.93Å; N502-K506 VanDerWaalsContact O-N 3.13Å; F503-K506 PolarHBondContact O-N 3.1Å; K506-R509 PolarHBondContact O-N 3.08Å; K506-H510 PolarHBondContact O-N 3.32Å; K506-H510 PolarHBondContact O-ND1 3.49Å |
| 507 | Q | 71.7 | Confident | 68.3 | Low | 56 Ų | 56 | 98.5 Ų | 98.5 | 26% | 0.262 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 178.6 | -70 | -71 | -22.3 | 0 | 0 | 111.6 | F503 F504 E505 R509 H510 V511 F520 L546 | F503-Q507 HydrophobicContact CD1-CG 4.16Å; F503-Q507 HydrophobicContact CE1-CG 3.72Å; F503-Q507 HydrophobicContact CZ-CG 3.96Å; F503-Q507 WeakPolarHBondContact O-CG 3.47Å; F503-Q507 PolarHBondContact O-N 2.93Å; F503-Q507 VanDerWaalsContact O-N 3.07Å; F504-Q507 PolarHBondContact O-N 2.87Å; E505-Q507 VanDerWaalsContact C-N 3.27Å; E505-Q507 PolarHBondContact O-N 3.47Å; Q507-R509 VanDerWaalsContact C-N 3.34Å; Q507-R509 PolarHBondContact O-N 3.41Å; Q507-H510 PolarHBondContact O-N 2.99Å; Q507-V511 PolarHBondContact O-N 3.14Å; Q507-F520 HydrophobicContact CB-CE2 4.37Å; Q507-F520 HydrophobicContact CG-CD2 4.18Å; Q507-F520 HydrophobicContact CG-CE2 3.87Å; Q507-L546 HydrophobicContact CB-CD1 4.49Å |
| 508 | R | 70.3 | Confident | 66.1 | Low | 30 Ų | 30 | 101.2 Ų | 101.2 | 11% | 0.113 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.3 | -38 | 176.4 | -70.3 | 173.6 | -175.6 | 170.1 | -4.2 | 113.2 | F504 E505 V511 L546 E612 | F504-R508 WeakPolarHBondContact O-CG 3.22Å; F504-R508 PolarHBondContact O-N 3.32Å; E505-R508 PolarHBondContact O-N 3.37Å; R508-V511 PolarHBondContact O-N 3.22Å; R508-L546 HydrophobicContact CG-CB 4.04Å; R508-L546 HydrophobicContact CG-CD1 4.11Å; R508-E612 IonicContact CZ-OE1 3.28Å; R508-E612 IonicContact CZ-OE2 3.87Å; R508-E612 IonicContact NH1-OE1 3.78Å; R508-E612 PolarHBondContact NH1-OE1 3.08Å; R508-E612 IonicContact NH1-OE2 3.65Å; R508-E612 PolarHBondContact NH1-OE2 2.94Å; R508-E612 IonicContact NH2-OE2 3.33Å; R508-E612 PolarHBondContact NH2-OE2 3.21Å |
| 509 | R | 66.8 | Low | 63.9 | Low | 169 Ų | 169 | 98.7 Ų | 98.7 | 64% | 0.638 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.9 | -36.8 | 176.7 | -68.3 | -178.6 | -174.7 | -166.4 | 1.4 | 112.5 | E505 K506 Q507 V511 K512 | E505-R509 PolarHBondContact O-N 3.46Å; E505-R509 VanDerWaalsContact O-N 3.09Å; E505-R509 IonicContact OE1-CZ 3.81Å; E505-R509 IonicContact OE1-NE 3.36Å; E505-R509 PolarHBondContact OE1-NE 3.26Å; E505-R509 IonicContact OE1-NH2 2.79Å; E505-R509 PolarHBondContact OE1-NH2 3.08Å; K506-R509 PolarHBondContact O-N 3.08Å; Q507-R509 VanDerWaalsContact C-N 3.34Å; Q507-R509 PolarHBondContact O-N 3.41Å; R509-V511 VanDerWaalsContact C-N 3.26Å; R509-V511 PolarHBondContact O-N 2.87Å; R509-K512 PolarHBondContact O-N 2.7Å |
| 510 | H | 61.9 | Low | 61.8 | Low | 142 Ų | 142 | 96.8 Ų | 96.8 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68 | -24.9 | -179.3 | -78.9 | 65.9 | 0 | 0 | 0 | 113.2 | K506 Q507 K512 G513 | K506-H510 PolarHBondContact O-N 3.32Å; K506-H510 PolarHBondContact O-ND1 3.49Å; Q507-H510 PolarHBondContact O-N 2.99Å; H510-K512 VanDerWaalsContact C-N 3.31Å; H510-K512 PolarHBondContact O-N 3.1Å; H510-G513 PolarHBondContact O-N 2.91Å |
| 511 | V | 55.4 | Low | 60 | Low | 47 Ų | 47 | 100.8 Ų | 100.8 | 29% | 0.285 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.4 | -27.3 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | Q507 R508 R509 G513 P545 P548 | Q507-V511 PolarHBondContact O-N 3.14Å; R508-V511 PolarHBondContact O-N 3.22Å; R509-V511 VanDerWaalsContact C-N 3.26Å; R509-V511 PolarHBondContact O-N 2.87Å; V511-G513 PolarHBondContact O-N 2.69Å; V511-P545 HydrophobicContact CG2-CB 3.8Å; V511-P548 HydrophobicContact CG1-CB 4.37Å; V511-P548 HydrophobicContact CG1-CG 4.34Å |
| 512 | K | 50 | Low | 58.4 | Low | 154 Ų | 154 | 102.3 Ų | 102.3 | 67% | 0.67 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.8 | 178 | -76.1 | -168.3 | 172.6 | -170.7 | 0 | 114.2 | R509 H510 P548 | R509-K512 PolarHBondContact O-N 2.7Å; H510-K512 VanDerWaalsContact C-N 3.31Å; H510-K512 PolarHBondContact O-N 3.1Å; K512-P548 HydrophobicContact CG-CB 4.28Å |
| 513 | G | 49.6 | Very low | 56.9 | Low | 65 Ų | 65 | 99.2 Ų | 99.2 | 67% | 0.67 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | -11.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | H510 V511 | H510-G513 PolarHBondContact O-N 2.91Å; V511-G513 PolarHBondContact O-N 2.69Å |
| 514 | R | 43.2 | Very low | 55.6 | Low | 220 Ų | 220 | 102.3 Ų | 102.3 | 83% | 0.83 | 51% | 0.513 | S | S | * | . | trans | -143.2 | 114.4 | -175.6 | -84.7 | -177.9 | 169.7 | 169.7 | -3.4 | 113.1 | G516 | R514-G516 PolarHBondContact O-N 3.35Š| ||
| 515 | K | 42.6 | Very low | 54.4 | Low | 232 Ų | 232 | 102.4 Ų | 102.4 | 100% | 1.009 | 51% | 0.514 | S | S | * | . | trans | -69.4 | 77.3 | 155.7 | -70.7 | -175.9 | 178.6 | 179.7 | 0 | 108.5 | ||||
| 516 | G | 43.4 | Very low | 53.2 | Low | 52 Ų | 52 | 100.9 Ų | 100.9 | 54% | 0.536 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -167.5 | 133.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R514 S518 | R514-G516 PolarHBondContact O-N 3.35Å; G516-S518 VanDerWaalsContact C-N 3.33Å; G516-S518 PolarHBondContact O-N 2.99Å |
| 517 | K | 38.6 | Very low | 52 | Low | 229 Ų | 229 | 96 Ų | 96 | 100% | 0.996 | 50% | 0.495 | S | S | * | . | trans | -58.4 | 83.4 | -178 | -63.5 | 173.6 | 179 | 174.5 | 0 | 111.5 | ||||
| 518 | S | 43 | Very low | 50.9 | Low | 104 Ų | 104 | 95.4 Ų | 95.4 | 73% | 0.727 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 118.7 | 166.7 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | G516 | G516-S518 VanDerWaalsContact C-N 3.33Å; G516-S518 PolarHBondContact O-N 2.99Å |
| 519 | A | 41.3 | Very low | 49.6 | Very low | 87 Ų | 87 | 105.9 Ų | 105.9 | 72% | 0.719 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 132.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 520 | F | 43.3 | Very low | 48.4 | Very low | 54 Ų | 54 | 105.5 Ų | 105.5 | 24% | 0.237 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 129.7 | 169.7 | -177.7 | -96.7 | 0 | 0 | 0 | 109.5 | F503 F504 Q507 Q522 | F503-F520 AromaticContact CE1-CE2 3.73Å; F503-F520 HydrophobicContact CE1-CE2 3.73Å; F503-F520 AromaticContact CE1-CZ 3.86Å; F503-F520 HydrophobicContact CE1-CZ 3.86Å; F503-F520 HydrophobicContact CZ-CE2 4.33Å; F504-F520 HydrophobicContact CE1-CZ 4.16Å; Q507-F520 HydrophobicContact CB-CE2 4.37Å; Q507-F520 HydrophobicContact CG-CD2 4.18Å; Q507-F520 HydrophobicContact CG-CE2 3.87Å; F520-Q522 HydrophobicContact CE1-CG 4.18Å |
| 521 | V | 47.3 | Very low | 47.5 | Very low | 86 Ų | 86 | 104 Ų | 104 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | trans | -105.9 | 126.6 | 169.2 | 178.6 | 0 | 0 | 0 | 0 | 105.6 | F503 L536 | F503-V521 WeakPolarHBondContact CZ-O 3.33Å; V521-L536 HydrophobicContact CG1-CD2 4.11Å | ||
| 522 | Q | 51.2 | Low | 46.4 | Very low | 51 Ų | 51 | 112 Ų | 112 | 24% | 0.238 | 56% | 0.563 | C | S | . | * | trans | -55.4 | 136 | 172.5 | -107.7 | -160.5 | -10 | 0 | 0 | 109.4 | F520 F524 | F520-Q522 HydrophobicContact CE1-CG 4.18Å; Q522-F524 PolarHBondContact O-N 3.28Å; Q522-F524 VanDerWaalsContact O-N 3.09Å | ||
| 523 | P | 54.2 | Low | 45.4 | Very low | 12 Ų | 12 | 112.6 Ų | 112.6 | 8% | 0.078 | 57% | 0.573 | C | S | . | * | trans | -62.9 | 115.7 | 176.6 | 19.8 | -23.8 | 0 | 0 | 0 | 109.4 | F500 F503 F504 I525 | F500-P523 HydrophobicContact CD1-CB 3.98Å; F500-P523 HydrophobicContact CD1-CG 3.58Å; F500-P523 HydrophobicContact CE1-CB 3.89Å; F500-P523 HydrophobicContact CE1-CG 3.63Å; F503-P523 HydrophobicContact CB-CB 4.41Å; F503-P523 HydrophobicContact CD1-CB 3.58Å; F503-P523 HydrophobicContact CD1-CG 3.45Å; F503-P523 VanDerWaalsContact CD1-CG 3.45Å; F503-P523 HydrophobicContact CD2-CB 3.95Å; F503-P523 HydrophobicContact CE1-CB 3.71Å; F503-P523 VanDerWaalsContact CE1-CD 3.45Å; F503-P523 HydrophobicContact CE1-CG 3.53Å; F503-P523 HydrophobicContact CE2-CB 4.06Å; F503-P523 HydrophobicContact CG-CB 3.7Å; F503-P523 HydrophobicContact CG-CG 4.08Å; F503-P523 HydrophobicContact CZ-CB 3.94Å; F503-P523 HydrophobicContact CZ-CG 4.21Å; F504-P523 HydrophobicContact CE1-CG 4.2Å; F504-P523 HydrophobicContact CZ-CG 4.17Å; P523-I525 HydrophobicContact CB-CG1 4.25Å | ||
| 524 | F | 54.2 | Low | 44.6 | Very low | 118 Ų | 118 | 121.1 Ų | 121.1 | 52% | 0.518 | 59% | 0.585 | S | S | . | * | trans | -93.2 | 108.8 | 163.3 | -177.6 | -95.7 | 0 | 0 | 0 | 107.6 | N336 Q522 | N336-F524 HydrophobicContact CB-CD2 4.2Å; N336-F524 HydrophobicContact CB-CE2 4.29Å; Q522-F524 PolarHBondContact O-N 3.28Å; Q522-F524 VanDerWaalsContact O-N 3.09Å | ||
| 525 | I | 58.7 | Low | 44.2 | Very low | 18 Ų | 18 | 115.6 Ų | 115.6 | 9% | 0.092 | 58% | 0.58 | C | S | . | * | trans | -106 | 113.5 | 179.8 | -53 | -167.6 | 0 | 0 | 0 | 108.3 | N336 M499 F500 P523 S527 | N336-I525 PolarHBondContact ND2-O 3.23Å; N336-I525 PolarHBondContact OD1-N 3.23Å; M499-I525 HydrophobicContact CB-CD1 3.62Å; M499-I525 HydrophobicContact CB-CG2 4.26Å; M499-I525 HydrophobicContact SD-CG2 3.71Å; F500-I525 HydrophobicContact CB-CD1 4.24Å; F500-I525 HydrophobicContact CD1-CD1 3.66Å; F500-I525 HydrophobicContact CD1-CG1 4.26Å; F500-I525 HydrophobicContact CD2-CD1 3.49Å; F500-I525 VanDerWaalsContact CD2-CD1 3.49Å; F500-I525 HydrophobicContact CD2-CG1 4.35Å; F500-I525 HydrophobicContact CE1-CD1 3.81Å; F500-I525 HydrophobicContact CE1-CG1 3.91Å; F500-I525 HydrophobicContact CE2-CB 4.13Å; F500-I525 HydrophobicContact CE2-CD1 3.63Å; F500-I525 HydrophobicContact CE2-CG1 3.99Å; F500-I525 HydrophobicContact CG-CD1 3.49Å; F500-I525 VanDerWaalsContact CG-CD1 3.49Å; F500-I525 HydrophobicContact CG-CG1 4.46Å; F500-I525 HydrophobicContact CZ-CB 4.07Å; F500-I525 HydrophobicContact CZ-CD1 3.78Å; F500-I525 HydrophobicContact CZ-CG1 3.75Å; P523-I525 HydrophobicContact CB-CG1 4.25Å; I525-S527 PolarHBondContact O-N 2.86Å | ||
| 526 | P | 51.9 | Low | 43.6 | Very low | 54 Ų | 54 | 111.3 Ų | 111.3 | 35% | 0.351 | 57% | 0.567 | S | S | . | * | trans | -50 | 129.5 | -178.4 | -30.2 | 36.4 | 0 | 0 | 0 | 113 | S528 F531 | P526-S528 PolarHBondContact O-N 3.03Å; P526-F531 HydrophobicContact CB-CB 3.88Å; P526-F531 VanDerWaalsContact CB-O 3.31Å; P526-F531 WeakPolarHBondContact CB-O 3.29Å; P526-F531 VanDerWaalsContact CG-O 3.28Å; P526-F531 WeakPolarHBondContact CG-O 3.42Å | ||
| 527 | S | 52.5 | Low | 42.9 | Very low | 37 Ų | 37 | 112.7 Ų | 112.7 | 26% | 0.259 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -64.1 | -21.7 | 179.8 | -18.3 | 0 | 0 | 0 | 0 | 112.9 | A331 I525 | A331-S527 VanDerWaalsContact O-CB 3.29Å; A331-S527 WeakPolarHBondContact O-CB 3.4Å; I525-S527 PolarHBondContact O-N 2.86Å |
| 528 | S | 49.7 | Very low | 42.6 | Very low | 42 Ų | 42 | 109 Ų | 109 | 29% | 0.294 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -144.7 | 155.8 | 178.4 | 68.9 | 0 | 0 | 0 | 0 | 110.7 | P526 L530 F531 | P526-S528 PolarHBondContact O-N 3.03Å; S528-L530 PolarHBondContact O-N 3.08Å; S528-F531 PolarHBondContact O-N 2.64Å |
| 529 | R | 43.6 | Very low | 42.2 | Very low | 251 Ų | 251 | 110.2 Ų | 110.2 | 95% | 0.947 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -18.1 | 172.3 | -81.8 | -174.7 | 178.1 | -178.7 | 1 | 113 | ||
| 530 | L | 41.4 | Very low | 41.6 | Very low | 161 Ų | 161 | 116.1 Ų | 116.1 | 84% | 0.843 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -17.3 | 179.4 | -76.3 | 159.9 | 0 | 0 | 0 | 113.7 | S528 R532 | S528-L530 PolarHBondContact O-N 3.08Å; L530-R532 PolarHBondContact O-N 2.91Å; L530-R532 VanDerWaalsContact O-N 3.07Å |
| 531 | F | 41.3 | Very low | 41.3 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 48% | 0.478 | 60% | 0.604 | S | S | . | * | trans | -85.7 | 56.3 | 174.4 | -102.6 | -90 | 0 | 0 | 0 | 111.7 | P526 S528 | P526-F531 HydrophobicContact CB-CB 3.88Å; P526-F531 VanDerWaalsContact CB-O 3.31Å; P526-F531 WeakPolarHBondContact CB-O 3.29Å; P526-F531 VanDerWaalsContact CG-O 3.28Å; P526-F531 WeakPolarHBondContact CG-O 3.42Å; S528-F531 PolarHBondContact O-N 2.64Å | ||
| 532 | R | 32.5 | Very low | 40.6 | Very low | 215 Ų | 215 | 132.9 Ų | 132.9 | 81% | 0.811 | 63% | 0.625 | S | S | * | * | trans | -96.3 | 128.2 | 155.4 | -77 | -173 | -160.1 | 179.2 | 6.7 | 107.4 | L530 | L530-R532 PolarHBondContact O-N 2.91Å; L530-R532 VanDerWaalsContact O-N 3.07Å | ||
| 533 | L | 30 | Very low | 40.2 | Very low | 168 Ų | 168 | 135 Ų | 135 | 88% | 0.88 | 65% | 0.645 | S | S | * | * | trans | 93.1 | 80.2 | 172.5 | -56 | 155.9 | 0 | 0 | 0 | 116.7 | ||||
| 534 | R | 32.2 | Very low | 39.5 | Very low | 243 Ų | 243 | 137.2 Ų | 137.2 | 92% | 0.917 | 67% | 0.671 | S | S | * | * | -160.6 | 121.7 | 122.1 | -104.5 | 173.6 | -172.4 | -170.2 | 2.2 | 109.3 | |||||
| 535 | S | 35.4 | Very low | 39 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -50.6 | 137.7 | 177.4 | 47.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 536 | L | 30.1 | Very low | 38.7 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | 52.1 | 65.7 | 63.6 | -70.2 | 173.8 | 0 | 0 | 0 | 113.2 | V521 | V521-L536 HydrophobicContact CG1-CD2 4.11Š| |||
| 537 | A | 29.5 | Very low | 38.8 | Very low | 81 Ų | 81 | 138.2 Ų | 138.2 | 67% | 0.669 | 69% | 0.688 | S | S | * | * | trans | -161.4 | 149.1 | 150.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 538 | D | 31.4 | Very low | 38.9 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 76.1 | 62.3 | 172.4 | -54.6 | -20.5 | 0 | 0 | 0 | 118.4 | ||
| 539 | N | 34.3 | Very low | 39.3 | Very low | 130 Ų | 130 | 141 Ų | 141 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | trans | -160.2 | 88.1 | 130.8 | -100.4 | -25.1 | 0 | 0 | 0 | 110.5 | R541 | N539-R541 PolarHBondContact O-N 2.83Š| ||
| 540 | K | 29 | Very low | 40.2 | Very low | 211 Ų | 211 | 132.5 Ų | 132.5 | 92% | 0.917 | 68% | 0.675 | S | S | * | * | trans | -88.1 | 92 | 171.7 | -73 | 178.8 | -179.5 | 171.9 | 0 | 109 | ||||
| 541 | R | 36.3 | Very low | 41.6 | Very low | 237 Ų | 237 | 133.4 Ų | 133.4 | 89% | 0.894 | 68% | 0.675 | S | S | * | * | trans | -120.7 | 141.1 | 160.7 | -78.1 | -171.6 | 177.9 | -168.6 | 0.8 | 110.6 | N539 | N539-R541 PolarHBondContact O-N 2.83Š| ||
| 542 | R | 34 | Very low | 43.6 | Very low | 255 Ų | 255 | 130.8 Ų | 130.8 | 96% | 0.962 | 67% | 0.666 | S | S | * | * | trans | -87.2 | 125.7 | -151.7 | -62.8 | 167.2 | 176.7 | 176.5 | -1.2 | 111 | ||||
| 543 | S | 41.6 | Very low | 46.1 | Very low | 94 Ų | 94 | 123.8 Ų | 123.8 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | trans | -143.9 | 145.8 | 158 | 49.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 544 | G | 40.2 | Very low | 48.8 | Very low | 60 Ų | 60 | 121.2 Ų | 121.2 | 62% | 0.619 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 166.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 545 | P | 43.3 | Very low | 51.5 | Low | 88 Ų | 88 | 117.7 Ų | 117.7 | 57% | 0.571 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 147 | 172.7 | 24.1 | -32.3 | 0 | 0 | 0 | 111.2 | V511 | V511-P545 HydrophobicContact CG2-CB 3.8Š|
| 546 | L | 53.2 | Low | 54 | Low | 31 Ų | 31 | 113 Ų | 113 | 16% | 0.162 | 59% | 0.589 | C | S | . | * | P | Polyproline II helix | trans | -57.1 | 131.2 | 172.2 | -76.2 | 167.6 | 0 | 0 | 0 | 108.8 | F504 Q507 R508 A608 | F504-L546 HydrophobicContact CD1-CD1 4.16Å; Q507-L546 HydrophobicContact CB-CD1 4.49Å; R508-L546 HydrophobicContact CG-CB 4.04Å; R508-L546 HydrophobicContact CG-CD1 4.11Å; L546-A608 HydrophobicContact CD1-CB 4.49Å; L546-A608 HydrophobicContact CD2-CB 4.36Å |
| 547 | P | 53.5 | Low | 56.8 | Low | 91 Ų | 91 | 109.5 Ų | 109.5 | 59% | 0.591 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 141.6 | -179.8 | 21.6 | -30.6 | 0 | 0 | 0 | 110.3 | ||
| 548 | P | 54.5 | Low | 59.7 | Low | 55 Ų | 55 | 109.2 Ų | 109.2 | 36% | 0.357 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -62 | 152.1 | 173.5 | 27.8 | -32.3 | 0 | 0 | 0 | 109.4 | V511 K512 T550 | V511-P548 HydrophobicContact CG1-CB 4.37Å; V511-P548 HydrophobicContact CG1-CG 4.34Å; K512-P548 HydrophobicContact CG-CB 4.28Å; P548-T550 PolarHBondContact O-N 3.35Å |
| 549 | I | 59 | Low | 62.5 | Low | 82 Ų | 82 | 102.9 Ų | 102.9 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | trans | -60.5 | 106.4 | 169.3 | -57.9 | 173.8 | 0 | 0 | 0 | 106.9 | ||||
| 550 | T | 62 | Low | 65.1 | Low | 74 Ų | 74 | 96.7 Ų | 96.7 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 145 | 173.1 | 35.8 | 0 | 0 | 0 | 0 | 109.5 | P548 I552 R583 | P548-T550 PolarHBondContact O-N 3.35Å; T550-I552 PolarHBondContact O-N 2.89Å; T550-R583 WeakPolarHBondContact OG1-CD 3.38Å; T550-R583 WeakPolarHBondContact OG1-CG 3.38Å; T550-R583 PolarHBondContact OG1-NE 2.87Å; T550-R583 VanDerWaalsContact OG1-NE 3.07Å |
| 551 | E | 71.3 | Confident | 67.9 | Low | 179 Ų | 179 | 91.4 Ų | 91.4 | 84% | 0.836 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -63 | 135.4 | 174.9 | -72.7 | 179.4 | 175.8 | 0 | 0 | 109.7 | T553 | E551-T553 PolarHBondContact O-N 2.8Š|
| 552 | I | 81.8 | Confident | 70.2 | Confident | 55 Ų | 55 | 83.8 Ų | 83.8 | 28% | 0.282 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 118.9 | 175.4 | -60.7 | 171.8 | 0 | 0 | 0 | 106.7 | T550 D556 K557 F587 | T550-I552 PolarHBondContact O-N 2.89Å; I552-D556 HydrophobicContact CG2-CB 4.17Å; I552-K557 HydrophobicContact CG2-CG 3.87Å; I552-F587 HydrophobicContact CD1-CB 3.73Å |
| 553 | T | 85.6 | Confident | 72.7 | Confident | 67 Ų | 67 | 76.1 Ų | 76.1 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 158.2 | 176.3 | 65.7 | 0 | 0 | 0 | 0 | 110.5 | E551 Y555 D556 K557 | E551-T553 PolarHBondContact O-N 2.8Å; T553-Y555 PolarHBondContact O-N 3.03Å; T553-D556 PolarHBondContact N-OD2 2.8Å; T553-D556 WeakPolarHBondContact O-CB 3.44Å; T553-D556 PolarHBondContact O-N 2.73Å; T553-D556 VanDerWaalsContact O-N 3.16Å; T553-D556 PolarHBondContact OG1-N 2.95Å; T553-D556 VanDerWaalsContact OG1-N 3.09Å; T553-D556 PolarHBondContact OG1-OD2 3.14Å; T553-K557 PolarHBondContact O-N 3.1Å |
| 554 | D | 86.7 | Confident | 74.9 | Confident | 115 Ų | 115 | 71.7 Ų | 71.7 | 62% | 0.615 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.4 | -29.8 | 173.5 | -69.7 | -32.4 | 0 | 0 | 0 | 111.7 | D556 K557 T558 | D554-D556 PolarHBondContact O-N 3.13Å; D554-K557 PolarHBondContact O-N 3.26Å; D554-K557 IonicContact OD1-NZ 3.18Å; D554-K557 PolarHBondContact OD1-NZ 3.29Å; D554-T558 PolarHBondContact O-N 2.91Å; D554-T558 PolarHBondContact O-OG1 3.47Å; D554-T558 VanDerWaalsContact O-OG1 3.09Å |
| 555 | Y | 88.1 | Confident | 77.1 | Confident | 168 Ų | 168 | 70.7 Ų | 70.7 | 66% | 0.659 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.8 | -44.3 | 169.8 | 179.5 | -97 | 0 | 0 | 0 | 112.2 | T553 K557 T558 F559 | T553-Y555 PolarHBondContact O-N 3.03Å; Y555-K557 VanDerWaalsContact C-N 3.28Å; Y555-K557 PolarHBondContact O-N 2.99Å; Y555-T558 PolarHBondContact O-N 3.21Å; Y555-F559 WeakPolarHBondContact O-CB 3.45Å; Y555-F559 PolarHBondContact O-N 3.46Å |
| 556 | D | 89.1 | Confident | 79.1 | Confident | 7 Ų | 7 | 74.8 Ų | 74.8 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59 | -40.7 | 176.8 | -63.5 | -43.5 | 0 | 0 | 0 | 111 | I552 T553 D554 I560 V580 R583 | I552-D556 HydrophobicContact CG2-CB 4.17Å; T553-D556 PolarHBondContact N-OD2 2.8Å; T553-D556 WeakPolarHBondContact O-CB 3.44Å; T553-D556 PolarHBondContact O-N 2.73Å; T553-D556 VanDerWaalsContact O-N 3.16Å; T553-D556 PolarHBondContact OG1-N 2.95Å; T553-D556 VanDerWaalsContact OG1-N 3.09Å; T553-D556 PolarHBondContact OG1-OD2 3.14Å; D554-D556 PolarHBondContact O-N 3.13Å; D556-I560 WeakPolarHBondContact O-CD1 3.26Å; D556-I560 VanDerWaalsContact O-CG1 3.31Å; D556-I560 WeakPolarHBondContact O-CG1 3.35Å; D556-I560 PolarHBondContact O-N 3.36Å; D556-I560 VanDerWaalsContact O-N 3.14Å; D556-V580 HydrophobicContact CB-CG1 4.01Å; D556-R583 IonicContact OD1-NH1 3.07Å; D556-R583 PolarHBondContact OD1-NH1 3.28Å; D556-R583 IonicContact OD2-NH1 3.02Å; D556-R583 PolarHBondContact OD2-NH1 3.48Å |
| 557 | K | 88.6 | Confident | 80.9 | Confident | 68 Ų | 68 | 75.9 Ų | 75.9 | 30% | 0.296 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 177.7 | -61.3 | 175.7 | -165.3 | 148.8 | 0 | 112.1 | I552 T553 D554 Y555 I560 F561 F587 | I552-K557 HydrophobicContact CG2-CG 3.87Å; T553-K557 PolarHBondContact O-N 3.1Å; D554-K557 PolarHBondContact O-N 3.26Å; D554-K557 IonicContact OD1-NZ 3.18Å; D554-K557 PolarHBondContact OD1-NZ 3.29Å; Y555-K557 VanDerWaalsContact C-N 3.28Å; Y555-K557 PolarHBondContact O-N 2.99Å; K557-I560 PolarHBondContact O-N 2.64Å; K557-F561 WeakPolarHBondContact O-CD2 3.41Å; K557-F561 PolarHBondContact O-N 3.46Å; K557-F561 VanDerWaalsContact O-N 3.07Å; K557-F587 HydrophobicContact CB-CE1 4.3Å; K557-F587 HydrophobicContact CB-CZ 4.36Å; K557-F587 HydrophobicContact CD-CE2 4.29Å; K557-F587 HydrophobicContact CD-CZ 4.21Å; K557-F587 HydrophobicContact CG-CD1 4.4Å; K557-F587 HydrophobicContact CG-CE1 4Å; K557-F587 HydrophobicContact CG-CE2 4.44Å; K557-F587 HydrophobicContact CG-CZ 4.02Å |
| 558 | T | 89.6 | Confident | 82.7 | Confident | 75 Ų | 75 | 71.8 Ų | 71.8 | 46% | 0.46 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 177.2 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | D554 Y555 I560 F561 D562 | D554-T558 PolarHBondContact O-N 2.91Å; D554-T558 PolarHBondContact O-OG1 3.47Å; D554-T558 VanDerWaalsContact O-OG1 3.09Å; Y555-T558 PolarHBondContact O-N 3.21Å; T558-I560 VanDerWaalsContact C-N 3.32Å; T558-I560 PolarHBondContact O-N 3.01Å; T558-F561 PolarHBondContact O-N 3.41Å; T558-D562 WeakPolarHBondContact CG2-OD2 3.29Å; T558-D562 WeakPolarHBondContact O-CB 3.49Å; T558-D562 PolarHBondContact O-N 3.39Å |
| 559 | F | 90.6 | Very high | 84.4 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.7 | -44 | 175.2 | 172.7 | -102.6 | 0 | 0 | 0 | 112.4 | Y555 E563 L564 E577 V580 | Y555-F559 WeakPolarHBondContact O-CB 3.45Å; Y555-F559 PolarHBondContact O-N 3.46Å; F559-E563 HydrophobicContact CD2-CB 4.1Å; F559-E563 HydrophobicContact CD2-CG 4.37Å; F559-E563 WeakPolarHBondContact CD2-OE2 3.44Å; F559-E563 HydrophobicContact CE2-CB 4.13Å; F559-E563 VanDerWaalsContact CE2-OE2 3.31Å; F559-E563 WeakPolarHBondContact CE2-OE2 3.28Å; F559-E563 WeakPolarHBondContact O-CB 3.35Å; F559-E563 PolarHBondContact O-N 2.94Å; F559-L564 HydrophobicContact CE1-CB 4.26Å; F559-L564 HydrophobicContact CZ-CB 4.48Å; F559-L564 PolarHBondContact O-N 3.24Å; F559-E577 HydrophobicContact CE1-CB 4.27Å; F559-E577 HydrophobicContact CE1-CG 4.27Å; F559-E577 HydrophobicContact CZ-CB 4.1Å; F559-E577 HydrophobicContact CZ-CG 3.65Å; F559-V580 HydrophobicContact CD1-CG1 4.04Å |
| 560 | I | 89.7 | Confident | 86 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -50.1 | 177.3 | -73.1 | 164.7 | 0 | 0 | 0 | 111.3 | D556 K557 T558 L564 L565 C584 F587 L588 | D556-I560 WeakPolarHBondContact O-CD1 3.26Å; D556-I560 VanDerWaalsContact O-CG1 3.31Å; D556-I560 WeakPolarHBondContact O-CG1 3.35Å; D556-I560 PolarHBondContact O-N 3.36Å; D556-I560 VanDerWaalsContact O-N 3.14Å; K557-I560 PolarHBondContact O-N 2.64Å; T558-I560 VanDerWaalsContact C-N 3.32Å; T558-I560 PolarHBondContact O-N 3.01Å; I560-L564 PolarHBondContact O-N 2.98Å; I560-L565 HydrophobicContact CG2-CD1 3.99Å; I560-L565 HydrophobicContact CG2-CG 4.11Å; I560-L565 WeakPolarHBondContact O-CB 3.33Å; I560-L565 VanDerWaalsContact O-CG 3.27Å; I560-L565 WeakPolarHBondContact O-CG 3.2Å; I560-L565 PolarHBondContact O-N 3.48Å; I560-C584 HydrophobicContact CD1-CB 3.39Å; I560-C584 VanDerWaalsContact CD1-SG 3.59Å; I560-F587 HydrophobicContact CD1-CD1 4.33Å; I560-L588 HydrophobicContact CD1-CD2 3.96Å; I560-L588 HydrophobicContact CG1-CD2 4.46Å; I560-L588 HydrophobicContact CG2-CD2 3.66Å |
| 561 | F | 87.3 | Confident | 87.4 | Confident | 99 Ų | 99 | 64.7 Ų | 64.7 | 43% | 0.434 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -74.5 | -47.7 | -174.5 | -82.1 | -64.5 | 0 | 0 | 0 | 114 | K557 T558 L565 F587 I591 | K557-F561 WeakPolarHBondContact O-CD2 3.41Å; K557-F561 PolarHBondContact O-N 3.46Å; K557-F561 VanDerWaalsContact O-N 3.07Å; T558-F561 PolarHBondContact O-N 3.41Å; F561-L565 HydrophobicContact CD1-CD1 4.14Å; F561-F587 HydrophobicContact CE2-CE1 4.19Å; F561-F587 AromaticContact CE2-CZ 3.69Å; F561-F587 HydrophobicContact CE2-CZ 3.69Å; F561-F587 HydrophobicContact CZ-CZ 4.13Å; F561-I591 HydrophobicContact CD1-CD1 4.33Å; F561-I591 HydrophobicContact CE1-CD1 3.47Å; F561-I591 VanDerWaalsContact CE1-CD1 3.47Å; F561-I591 HydrophobicContact CE1-CG1 4.14Å; F561-I591 HydrophobicContact CE2-CD1 4.08Å; F561-I591 HydrophobicContact CZ-CD1 3.32Å; F561-I591 HydrophobicContact CZ-CG1 4.02Å |
| 562 | D | 84.4 | Confident | 88.1 | Confident | 78 Ų | 78 | 64.5 Ų | 64.5 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -86.6 | -24.8 | -168.6 | -73.4 | -37.6 | 0 | 0 | 0 | 113.1 | T558 R566 | T558-D562 WeakPolarHBondContact CG2-OD2 3.29Å; T558-D562 WeakPolarHBondContact O-CB 3.49Å; T558-D562 PolarHBondContact O-N 3.39Å; D562-R566 WeakPolarHBondContact O-CD 3.29Å; D562-R566 PolarHBondContact O-NH1 3.45Å; D562-R566 IonicContact OD1-CZ 3.34Å; D562-R566 IonicContact OD1-NH1 3.97Å; D562-R566 IonicContact OD1-NH2 3.86Å; D562-R566 PolarHBondContact OD1-NH2 2.98Å |
| 563 | E | 86 | Confident | 88.4 | Confident | 93 Ų | 93 | 62.5 Ų | 62.5 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -66.2 | -179.6 | -59.7 | -175.4 | -155.8 | 0 | 0 | 111.2 | F559 L565 R566 R567 | F559-E563 HydrophobicContact CD2-CB 4.1Å; F559-E563 HydrophobicContact CD2-CG 4.37Å; F559-E563 WeakPolarHBondContact CD2-OE2 3.44Å; F559-E563 HydrophobicContact CE2-CB 4.13Å; F559-E563 VanDerWaalsContact CE2-OE2 3.31Å; F559-E563 WeakPolarHBondContact CE2-OE2 3.28Å; F559-E563 WeakPolarHBondContact O-CB 3.35Å; F559-E563 PolarHBondContact O-N 2.94Å; E563-L565 PolarHBondContact O-N 3.21Å; E563-R566 PolarHBondContact O-N 3.24Å; E563-R567 WeakPolarHBondContact O-CG 3.45Å; E563-R567 PolarHBondContact O-N 3.33Å; E563-R567 IonicContact OE2-NH2 2.6Å |
| 564 | L | 87.3 | Confident | 88.7 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -65.4 | -44.3 | -163.6 | -173.8 | 70.7 | 0 | 0 | 0 | 114 | F559 I560 R566 R567 M573 V581 R597 | F559-L564 HydrophobicContact CE1-CB 4.26Å; F559-L564 HydrophobicContact CZ-CB 4.48Å; F559-L564 PolarHBondContact O-N 3.24Å; I560-L564 PolarHBondContact O-N 2.98Å; L564-R566 PolarHBondContact O-N 3.48Å; L564-R567 PolarHBondContact O-N 2.91Å; L564-M573 HydrophobicContact CD1-CE 4.13Å; L564-V581 HydrophobicContact CD2-CG2 3.2Å; L564-R597 HydrophobicContact CD2-CB 4.12Å; L564-R597 HydrophobicContact CD2-CG 4.36Å; L564-R597 HydrophobicContact CG-CG 4.29Å |
| 565 | L | 87.2 | Confident | 88.8 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 20% | 0.204 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -70.5 | -18.9 | -177.7 | -69.6 | 178.5 | 0 | 0 | 0 | 113.5 | I560 F561 E563 I591 S594 R597 | I560-L565 HydrophobicContact CG2-CD1 3.99Å; I560-L565 HydrophobicContact CG2-CG 4.11Å; I560-L565 WeakPolarHBondContact O-CB 3.33Å; I560-L565 VanDerWaalsContact O-CG 3.27Å; I560-L565 WeakPolarHBondContact O-CG 3.2Å; I560-L565 PolarHBondContact O-N 3.48Å; F561-L565 HydrophobicContact CD1-CD1 4.14Å; E563-L565 PolarHBondContact O-N 3.21Å; L565-I591 HydrophobicContact CD1-CD1 4.43Å; L565-I591 HydrophobicContact CD1-CG2 4.05Å; L565-S594 VanDerWaalsContact CD2-CB 3.49Å; L565-R597 HydrophobicContact CD2-CG 4.19Å |
| 566 | R | 85.9 | Confident | 88.9 | Confident | 175 Ų | 175 | 60.4 Ų | 60.4 | 66% | 0.66 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -81.2 | -21.5 | 175.2 | -63.8 | -172.1 | -176.1 | 141.1 | 5.8 | 112.8 | D562 E563 L564 | D562-R566 WeakPolarHBondContact O-CD 3.29Å; D562-R566 PolarHBondContact O-NH1 3.45Å; D562-R566 IonicContact OD1-CZ 3.34Å; D562-R566 IonicContact OD1-NH1 3.97Å; D562-R566 IonicContact OD1-NH2 3.86Å; D562-R566 PolarHBondContact OD1-NH2 2.98Å; E563-R566 PolarHBondContact O-N 3.24Å; L564-R566 PolarHBondContact O-N 3.48Å |
| 567 | R | 89.6 | Confident | 89 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -68.2 | 144.6 | -178.8 | -63.2 | -174.9 | -175.2 | 170.5 | 4.2 | 112 | E563 L564 H571 E577 R597 | E563-R567 WeakPolarHBondContact O-CG 3.45Å; E563-R567 PolarHBondContact O-N 3.33Å; E563-R567 IonicContact OE2-NH2 2.6Å; L564-R567 PolarHBondContact O-N 2.91Å; R567-H571 HydrophobicContact CB-CB 3.9Å; R567-H571 VanDerWaalsContact CD-CD2 3.44Å; R567-H571 WeakPolarHBondContact CD-CD2 3.01Å; R567-H571 VanDerWaalsContact CD-CG 3.49Å; R567-H571 WeakPolarHBondContact CD-NE2 3.33Å; R567-H571 PolarHBondContact NH1-CE1 3.32Å; R567-H571 PolarHBondContact NH1-NE2 2.96Å; R567-E577 IonicContact CZ-OE1 3.47Å; R567-E577 IonicContact NH1-OE1 2.64Å; R567-E577 PolarHBondContact NH1-OE1 3.38Å; R567-E577 IonicContact NH1-OE2 3.25Å; R567-E577 PolarHBondContact NH1-OE2 2.88Å; R567-E577 IonicContact NH2-OE1 2.99Å; R567-E577 PolarHBondContact NH2-OE1 2.84Å; R567-R597 PolarHBondContact O-NH2 2.91Å |
| 568 | D | 91.4 | Very high | 89.1 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.032 | 30% | 0.3 | C | S | . | . | trans | -66.9 | 159.1 | -177.7 | 85.3 | -82.7 | 0 | 0 | 0 | 112.8 | L570 H571 R597 I1024 R1048 V1053 | D568-L570 PolarHBondContact O-N 2.93Å; D568-L570 VanDerWaalsContact O-N 3.11Å; D568-L570 PolarHBondContact OD2-N 3.37Å; D568-H571 VanDerWaalsContact O-CB 3.32Å; D568-H571 WeakPolarHBondContact O-CB 3.48Å; D568-H571 PolarHBondContact O-N 3.38Å; D568-H571 VanDerWaalsContact O-N 3.11Å; D568-R597 PolarHBondContact O-NH2 3.28Å; D568-I1024 HydrophobicContact CB-CD1 3.69Å; D568-R1048 IonicContact OD1-CZ 2.73Å; D568-R1048 IonicContact OD1-NE 3.55Å; D568-R1048 PolarHBondContact OD1-NE 2.81Å; D568-R1048 IonicContact OD1-NH2 2.95Å; D568-R1048 PolarHBondContact OD1-NH2 2.6Å; D568-R1048 IonicContact OD2-CZ 2.8Å; D568-R1048 IonicContact OD2-NE 3.3Å; D568-R1048 PolarHBondContact OD2-NE 2.84Å; D568-R1048 IonicContact OD2-NH2 3.89Å; D568-V1053 HydrophobicContact CB-CB 4.11Å; D568-V1053 HydrophobicContact CB-CG1 4.32Å; D568-V1053 HydrophobicContact CB-CG2 4.24Å | ||
| 569 | P | 91.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -41.5 | -177.2 | -32.1 | 38.1 | 0 | 0 | 0 | 114.5 | H571 R597 R635 R1021 I1024 | P569-H571 VanDerWaalsContact C-N 3.32Å; P569-H571 PolarHBondContact O-N 2.94Å; P569-R597 VanDerWaalsContact CA-NH2 3.27Å; P569-R597 PolarHBondContact O-NH1 2.95Å; P569-R635 PolarHBondContact O-NH1 3.25Å; P569-R1021 HydrophobicContact CG-CG 3.69Å; P569-I1024 HydrophobicContact CB-CG2 3.98Å; P569-I1024 HydrophobicContact CG-CB 4.27Å; P569-I1024 HydrophobicContact CG-CG2 4.01Å |
| 570 | L | 92.2 | Very high | 89.2 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 10.5 | -173 | -61.3 | -176.7 | 0 | 0 | 0 | 114 | D568 E572 I1024 T1028 L1041 I1044 | D568-L570 PolarHBondContact O-N 2.93Å; D568-L570 VanDerWaalsContact O-N 3.11Å; D568-L570 PolarHBondContact OD2-N 3.37Å; L570-E572 PolarHBondContact O-N 3Å; L570-I1024 HydrophobicContact CB-CG2 4.45Å; L570-I1024 HydrophobicContact CD1-CG2 3.88Å; L570-I1024 HydrophobicContact CG-CG2 3.7Å; L570-T1028 HydrophobicContact CD2-CG2 4.29Å; L570-L1041 HydrophobicContact CD1-CD2 4.31Å; L570-L1041 HydrophobicContact CD2-CD2 3.83Å; L570-I1044 HydrophobicContact CD1-CB 4.04Å; L570-I1044 HydrophobicContact CD1-CD1 4.15Å; L570-I1044 HydrophobicContact CD1-CG2 3.86Å |
| 571 | H | 90.8 | Very high | 89.3 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 17% | 0.167 | 30% | 0.3 | C | S | . | . | trans | -60.5 | 126 | 173.3 | 173.4 | 71.7 | 0 | 0 | 0 | 111.8 | R567 D568 P569 M573 E577 | R567-H571 HydrophobicContact CB-CB 3.9Å; R567-H571 VanDerWaalsContact CD-CD2 3.44Å; R567-H571 WeakPolarHBondContact CD-CD2 3.01Å; R567-H571 VanDerWaalsContact CD-CG 3.49Å; R567-H571 WeakPolarHBondContact CD-NE2 3.33Å; R567-H571 PolarHBondContact NH1-CE1 3.32Å; R567-H571 PolarHBondContact NH1-NE2 2.96Å; D568-H571 VanDerWaalsContact O-CB 3.32Å; D568-H571 WeakPolarHBondContact O-CB 3.48Å; D568-H571 PolarHBondContact O-N 3.38Å; D568-H571 VanDerWaalsContact O-N 3.11Å; P569-H571 VanDerWaalsContact C-N 3.32Å; P569-H571 PolarHBondContact O-N 2.94Å; H571-M573 PolarHBondContact O-N 3.44Å; H571-E577 IonicContact NE2-OE2 3.36Å | ||
| 572 | E | 86.4 | Confident | 89.5 | Confident | 175 Ų | 175 | 58.8 Ų | 58.8 | 82% | 0.818 | 28% | 0.282 | S | S | * | . | trans | -77.7 | 107.9 | 176.7 | -68.1 | -173.6 | 176.8 | 0 | 0 | 111.2 | L570 | L570-E572 PolarHBondContact O-N 3Š| ||
| 573 | M | 88.8 | Confident | 89.7 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 7% | 0.069 | 27% | 0.274 | C | S | . | . | trans | -74.3 | 125.6 | 179.9 | -166.8 | 179.6 | -53.8 | 0 | 0 | 111.8 | L564 H571 E577 R578 V581 R597 D600 A601 | L564-M573 HydrophobicContact CD1-CE 4.13Å; H571-M573 PolarHBondContact O-N 3.44Å; M573-E577 HydrophobicContact CG-CB 3.61Å; M573-E577 HydrophobicContact SD-CB 4.37Å; M573-R578 HydrophobicContact CB-CG 4.18Å; M573-R578 HydrophobicContact CG-CG 3.72Å; M573-R578 HydrophobicContact SD-CB 4.17Å; M573-R578 HydrophobicContact SD-CG 3.55Å; M573-R578 VanDerWaalsContact SD-CG 3.55Å; M573-V581 HydrophobicContact CE-CG2 4.3Å; M573-V581 HydrophobicContact SD-CB 4.38Å; M573-V581 HydrophobicContact SD-CG2 3.92Å; M573-R597 HydrophobicContact CE-CB 4.38Å; M573-D600 HydrophobicContact CE-CB 3.83Å; M573-A601 HydrophobicContact SD-CB 3.95Å | ||
| 574 | L | 91.6 | Very high | 90 | Very high | 107 Ų | 107 | 53.8 Ų | 53.8 | 56% | 0.56 | 25% | 0.253 | S | S | * | . | trans | -69.8 | 153 | 175.5 | -58.4 | 174.4 | 0 | 0 | 0 | 110.8 | S576 E577 R578 | L574-S576 PolarHBondContact O-N 3.46Å; L574-E577 HydrophobicContact CB-CG 4.03Å; L574-E577 PolarHBondContact N-OE2 2.98Å; L574-E577 WeakPolarHBondContact O-CA 3.06Å; L574-E577 WeakPolarHBondContact O-CB 3.46Å; L574-E577 PolarHBondContact O-N 3.47Å; L574-R578 PolarHBondContact O-N 3.15Å | ||
| 575 | D | 88.8 | Confident | 90.2 | Very high | 115 Ų | 115 | 54.4 Ų | 54.4 | 62% | 0.615 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.1 | -33.7 | -179.4 | -71.7 | -27.4 | 0 | 0 | 0 | 113.2 | E577 R578 E579 | D575-E577 VanDerWaalsContact C-N 3.32Å; D575-E577 PolarHBondContact O-N 3.26Å; D575-R578 PolarHBondContact O-N 3.44Å; D575-R578 IonicContact OD1-CZ 3.39Å; D575-R578 IonicContact OD1-NH1 2.86Å; D575-R578 PolarHBondContact OD1-NH1 2.94Å; D575-E579 WeakPolarHBondContact O-CG 3.42Å; D575-E579 PolarHBondContact O-N 3.32Å; D575-E579 VanDerWaalsContact O-N 3.1Å |
| 576 | S | 89.7 | Confident | 90.4 | Very high | 83 Ų | 83 | 56.6 Ų | 56.6 | 58% | 0.58 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.4 | -37.6 | 173.9 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | L574 V580 | L574-S576 PolarHBondContact O-N 3.46Å; S576-V580 WeakPolarHBondContact O-CG2 3.42Å; S576-V580 PolarHBondContact O-N 3.12Å |
| 577 | E | 91.8 | Very high | 90.7 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.2 | -42.3 | 178.3 | -58.5 | 174.8 | 145.2 | 0 | 0 | 110 | F559 R567 H571 M573 L574 D575 E579 V580 V581 | F559-E577 HydrophobicContact CE1-CB 4.27Å; F559-E577 HydrophobicContact CE1-CG 4.27Å; F559-E577 HydrophobicContact CZ-CB 4.1Å; F559-E577 HydrophobicContact CZ-CG 3.65Å; R567-E577 IonicContact CZ-OE1 3.47Å; R567-E577 IonicContact NH1-OE1 2.64Å; R567-E577 PolarHBondContact NH1-OE1 3.38Å; R567-E577 IonicContact NH1-OE2 3.25Å; R567-E577 PolarHBondContact NH1-OE2 2.88Å; R567-E577 IonicContact NH2-OE1 2.99Å; R567-E577 PolarHBondContact NH2-OE1 2.84Å; H571-E577 IonicContact NE2-OE2 3.36Å; M573-E577 HydrophobicContact CG-CB 3.61Å; M573-E577 HydrophobicContact SD-CB 4.37Å; L574-E577 HydrophobicContact CB-CG 4.03Å; L574-E577 PolarHBondContact N-OE2 2.98Å; L574-E577 WeakPolarHBondContact O-CA 3.06Å; L574-E577 WeakPolarHBondContact O-CB 3.46Å; L574-E577 PolarHBondContact O-N 3.47Å; D575-E577 VanDerWaalsContact C-N 3.32Å; D575-E577 PolarHBondContact O-N 3.26Å; E577-E579 VanDerWaalsContact C-N 3.29Å; E577-E579 PolarHBondContact O-N 3.09Å; E577-V580 WeakPolarHBondContact O-CB 3.44Å; E577-V580 PolarHBondContact O-N 3.43Å; E577-V581 VanDerWaalsContact O-CG2 3.32Å; E577-V581 WeakPolarHBondContact O-CG2 3.5Å; E577-V581 PolarHBondContact O-N 3.31Å |
| 578 | R | 91.5 | Very high | 90.8 | Very high | 92 Ų | 92 | 47.9 Ų | 47.9 | 35% | 0.347 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.6 | -45.1 | 174.2 | -68.9 | -177.6 | 172.5 | 152.2 | -5.5 | 111.9 | M573 L574 D575 V580 V581 W582 A601 | M573-R578 HydrophobicContact CB-CG 4.18Å; M573-R578 HydrophobicContact CG-CG 3.72Å; M573-R578 HydrophobicContact SD-CB 4.17Å; M573-R578 HydrophobicContact SD-CG 3.55Å; M573-R578 VanDerWaalsContact SD-CG 3.55Å; L574-R578 PolarHBondContact O-N 3.15Å; D575-R578 PolarHBondContact O-N 3.44Å; D575-R578 IonicContact OD1-CZ 3.39Å; D575-R578 IonicContact OD1-NH1 2.86Å; D575-R578 PolarHBondContact OD1-NH1 2.94Å; R578-V580 VanDerWaalsContact C-N 3.33Å; R578-V580 PolarHBondContact O-N 3.33Å; R578-V581 PolarHBondContact O-N 3.45Å; R578-W582 VanDerWaalsContact O-CB 3.29Å; R578-W582 WeakPolarHBondContact O-CB 3.08Å; R578-W582 PolarHBondContact O-N 3.29Å; R578-A601 HydrophobicContact CB-CB 4.22Å; R578-A601 HydrophobicContact CG-CB 4.38Å |
| 579 | E | 89.6 | Confident | 90.9 | Very high | 88 Ų | 88 | 50.1 Ų | 50.1 | 41% | 0.411 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.3 | -34.9 | 178.2 | -72.3 | -67.3 | 152.6 | 0 | 0 | 112.5 | D575 E577 R583 R603 | D575-E579 WeakPolarHBondContact O-CG 3.42Å; D575-E579 PolarHBondContact O-N 3.32Å; D575-E579 VanDerWaalsContact O-N 3.1Å; E577-E579 VanDerWaalsContact C-N 3.29Å; E577-E579 PolarHBondContact O-N 3.09Å; E579-R583 VanDerWaalsContact O-CB 3.22Å; E579-R583 WeakPolarHBondContact O-CB 3.18Å; E579-R583 PolarHBondContact O-N 2.91Å; E579-R603 IonicContact OE1-CZ 3.11Å; E579-R603 IonicContact OE1-NH1 2.68Å; E579-R603 PolarHBondContact OE1-NH1 2.83Å |
| 580 | V | 91 | Very high | 90.9 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.1 | -47.7 | 173.5 | 173.3 | 0 | 0 | 0 | 0 | 111 | D556 F559 S576 E577 R578 R583 C584 | D556-V580 HydrophobicContact CB-CG1 4.01Å; F559-V580 HydrophobicContact CD1-CG1 4.04Å; S576-V580 WeakPolarHBondContact O-CG2 3.42Å; S576-V580 PolarHBondContact O-N 3.12Å; E577-V580 WeakPolarHBondContact O-CB 3.44Å; E577-V580 PolarHBondContact O-N 3.43Å; R578-V580 VanDerWaalsContact C-N 3.33Å; R578-V580 PolarHBondContact O-N 3.33Å; V580-R583 WeakPolarHBondContact O-CB 3.3Å; V580-R583 PolarHBondContact O-N 3.44Å; V580-C584 WeakPolarHBondContact O-CB 3.49Å; V580-C584 PolarHBondContact O-N 2.98Å; V580-C584 PolarHBondContact O-SG 3.35Å |
| 581 | V | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 178.7 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | L564 M573 E577 R578 R583 C584 R585 L588 R597 A601 | L564-V581 HydrophobicContact CD2-CG2 3.2Å; M573-V581 HydrophobicContact CE-CG2 4.3Å; M573-V581 HydrophobicContact SD-CB 4.38Å; M573-V581 HydrophobicContact SD-CG2 3.92Å; E577-V581 VanDerWaalsContact O-CG2 3.32Å; E577-V581 WeakPolarHBondContact O-CG2 3.5Å; E577-V581 PolarHBondContact O-N 3.31Å; R578-V581 PolarHBondContact O-N 3.45Å; V581-R583 VanDerWaalsContact C-N 3.33Å; V581-R583 PolarHBondContact O-N 2.87Å; V581-C584 CarbonylContact O-C 3.53Å; V581-C584 PolarHBondContact O-N 3.41Å; V581-R585 PolarHBondContact O-N 2.94Å; V581-L588 HydrophobicContact CG1-CD1 3.7Å; V581-R597 WeakPolarHBondContact CG1-O 3.5Å; V581-A601 HydrophobicContact CB-CB 3.7Å; V581-A601 HydrophobicContact CG1-CB 3.46Å; V581-A601 VanDerWaalsContact CG1-CB 3.46Å |
| 582 | W | 91.4 | Very high | 91.2 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 6% | 0.064 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 178.9 | -170.5 | -116.5 | 0 | 0 | 0 | 111.6 | R578 C584 R585 L598 V602 D609 L613 | R578-W582 VanDerWaalsContact O-CB 3.29Å; R578-W582 WeakPolarHBondContact O-CB 3.08Å; R578-W582 PolarHBondContact O-N 3.29Å; W582-C584 VanDerWaalsContact C-N 3.28Å; W582-C584 PolarHBondContact O-N 3.26Å; W582-R585 WeakPolarHBondContact O-CB 3.29Å; W582-R585 WeakPolarHBondContact O-CD 3.33Å; W582-R585 WeakPolarHBondContact O-CG 3.45Å; W582-R585 PolarHBondContact O-N 3.43Å; W582-R585 PolarHBondContact O-NH1 3.23Å; W582-L598 HydrophobicContact CE3-CD1 3.74Å; W582-L598 HydrophobicContact CZ3-CD1 3.86Å; W582-V602 HydrophobicContact CE3-CG2 3.95Å; W582-V602 HydrophobicContact CH2-CG2 4.18Å; W582-V602 HydrophobicContact CZ3-CB 4.34Å; W582-V602 HydrophobicContact CZ3-CG2 3.35Å; W582-D609 HydrophobicContact CH2-CB 3.99Å; W582-D609 WeakPolarHBondContact CH2-O 3.38Å; W582-D609 HydrophobicContact CZ2-CB 3.48Å; W582-D609 VanDerWaalsContact CZ2-CB 3.48Å; W582-D609 PolarHBondContact NE1-OD1 3.02Å; W582-L613 HydrophobicContact CH2-CB 4.36Å |
| 583 | R | 89.1 | Confident | 91.6 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 25% | 0.249 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59 | -40.2 | 172 | -176.4 | -171.9 | -48.6 | 146.1 | 12 | 112 | T550 D556 E579 V580 V581 R585 | T550-R583 WeakPolarHBondContact OG1-CD 3.38Å; T550-R583 WeakPolarHBondContact OG1-CG 3.38Å; T550-R583 PolarHBondContact OG1-NE 2.87Å; T550-R583 VanDerWaalsContact OG1-NE 3.07Å; D556-R583 IonicContact OD1-NH1 3.07Å; D556-R583 PolarHBondContact OD1-NH1 3.28Å; D556-R583 IonicContact OD2-NH1 3.02Å; D556-R583 PolarHBondContact OD2-NH1 3.48Å; E579-R583 VanDerWaalsContact O-CB 3.22Å; E579-R583 WeakPolarHBondContact O-CB 3.18Å; E579-R583 PolarHBondContact O-N 2.91Å; V580-R583 WeakPolarHBondContact O-CB 3.3Å; V580-R583 PolarHBondContact O-N 3.44Å; V581-R583 VanDerWaalsContact C-N 3.33Å; V581-R583 PolarHBondContact O-N 2.87Å; R583-R585 VanDerWaalsContact C-N 3.35Å; R583-R585 PolarHBondContact O-N 2.98Å |
| 584 | C | 91.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 3.3 | -177.7 | -61.8 | 0 | 0 | 0 | 0 | 114.7 | I560 V580 V581 W582 H586 F587 L588 | I560-C584 HydrophobicContact CD1-CB 3.39Å; I560-C584 VanDerWaalsContact CD1-SG 3.59Å; V580-C584 WeakPolarHBondContact O-CB 3.49Å; V580-C584 PolarHBondContact O-N 2.98Å; V580-C584 PolarHBondContact O-SG 3.35Å; V581-C584 CarbonylContact O-C 3.53Å; V581-C584 PolarHBondContact O-N 3.41Å; W582-C584 VanDerWaalsContact C-N 3.28Å; W582-C584 PolarHBondContact O-N 3.26Å; C584-H586 VanDerWaalsContact C-N 3.26Å; C584-H586 PolarHBondContact O-N 3.03Å; C584-F587 CarbonylContact O-C 3.5Å; C584-F587 WeakPolarHBondContact O-CA 3.23Å; C584-F587 VanDerWaalsContact O-CB 3.31Å; C584-F587 WeakPolarHBondContact O-CB 3.38Å; C584-F587 PolarHBondContact O-N 3.27Å; C584-L588 HydrophobicContact CB-CG 4.38Å; C584-L588 WeakPolarHBondContact O-CG 3.48Å; C584-L588 PolarHBondContact O-N 2.82Å |
| 585 | R | 92.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -48.1 | -36.3 | -174.1 | 66.7 | -167.6 | 176 | -84.7 | 1.5 | 116.4 | V581 W582 R583 Q589 L598 E612 L616 | V581-R585 PolarHBondContact O-N 2.94Å; W582-R585 WeakPolarHBondContact O-CB 3.29Å; W582-R585 WeakPolarHBondContact O-CD 3.33Å; W582-R585 WeakPolarHBondContact O-CG 3.45Å; W582-R585 PolarHBondContact O-N 3.43Å; W582-R585 PolarHBondContact O-NH1 3.23Å; R583-R585 VanDerWaalsContact C-N 3.35Å; R583-R585 PolarHBondContact O-N 2.98Å; R585-Q589 PolarHBondContact O-N 3.29Å; R585-L598 HydrophobicContact CB-CD1 3.45Å; R585-L598 VanDerWaalsContact CB-CD1 3.45Å; R585-L598 HydrophobicContact CB-CD2 4.25Å; R585-E612 IonicContact CZ-OE1 3.08Å; R585-E612 VanDerWaalsContact CZ-OE1 3.24Å; R585-E612 IonicContact CZ-OE2 3.03Å; R585-E612 IonicContact NE-OE1 2.81Å; R585-E612 PolarHBondContact NE-OE1 2.86Å; R585-E612 IonicContact NE-OE2 2.92Å; R585-E612 PolarHBondContact NE-OE2 3.05Å; R585-E612 VanDerWaalsContact NE-OE2 3.15Å; R585-E612 IonicContact NH2-OE1 2.64Å; R585-E612 PolarHBondContact NH2-OE1 3.14Å; R585-E612 IonicContact NH2-OE2 3.73Å; R585-E612 PolarHBondContact NH2-OE2 2.68Å; R585-L616 HydrophobicContact CB-CD1 4.02Å; R585-L616 HydrophobicContact CG-CD1 3.98Å |
| 586 | H | 91 | Very high | 92.4 | Very high | 86 Ų | 86 | 38.2 Ų | 38.2 | 40% | 0.398 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -75 | -33.9 | 176 | -67.5 | -67.8 | 0 | 0 | 0 | 112.7 | C584 Q589 E612 L616 | C584-H586 VanDerWaalsContact C-N 3.26Å; C584-H586 PolarHBondContact O-N 3.03Å; H586-Q589 WeakPolarHBondContact O-CB 3.39Å; H586-Q589 PolarHBondContact O-N 2.84Å; H586-E612 IonicContact NE2-OE1 2.82Å; H586-L616 WeakPolarHBondContact ND1-CD2 3.29Å |
| 587 | F | 91 | Very high | 92.6 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 19% | 0.193 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.6 | -40.4 | 172.4 | 170.5 | -105.7 | 0 | 0 | 0 | 110.9 | I552 K557 I560 F561 C584 Q589 T590 I591 | I552-F587 HydrophobicContact CD1-CB 3.73Å; K557-F587 HydrophobicContact CB-CE1 4.3Å; K557-F587 HydrophobicContact CB-CZ 4.36Å; K557-F587 HydrophobicContact CD-CE2 4.29Å; K557-F587 HydrophobicContact CD-CZ 4.21Å; K557-F587 HydrophobicContact CG-CD1 4.4Å; K557-F587 HydrophobicContact CG-CE1 4Å; K557-F587 HydrophobicContact CG-CE2 4.44Å; K557-F587 HydrophobicContact CG-CZ 4.02Å; I560-F587 HydrophobicContact CD1-CD1 4.33Å; F561-F587 HydrophobicContact CE2-CE1 4.19Å; F561-F587 AromaticContact CE2-CZ 3.69Å; F561-F587 HydrophobicContact CE2-CZ 3.69Å; F561-F587 HydrophobicContact CZ-CZ 4.13Å; C584-F587 CarbonylContact O-C 3.5Å; C584-F587 WeakPolarHBondContact O-CA 3.23Å; C584-F587 VanDerWaalsContact O-CB 3.31Å; C584-F587 WeakPolarHBondContact O-CB 3.38Å; C584-F587 PolarHBondContact O-N 3.27Å; F587-Q589 PolarHBondContact O-N 3.02Å; F587-T590 WeakPolarHBondContact O-CB 3.36Å; F587-T590 PolarHBondContact O-N 3.15Å; F587-T590 PolarHBondContact O-OG1 3.2Å; F587-I591 HydrophobicContact CE1-CD1 3.81Å; F587-I591 HydrophobicContact CZ-CD1 4.02Å |
| 588 | L | 93 | Very high | 92.8 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.7 | -28.3 | 175.9 | -67.8 | -178.8 | 0 | 0 | 0 | 113.2 | I560 V581 C584 T590 I591 S594 L598 W620 | I560-L588 HydrophobicContact CD1-CD2 3.96Å; I560-L588 HydrophobicContact CG1-CD2 4.46Å; I560-L588 HydrophobicContact CG2-CD2 3.66Å; V581-L588 HydrophobicContact CG1-CD1 3.7Å; C584-L588 HydrophobicContact CB-CG 4.38Å; C584-L588 WeakPolarHBondContact O-CG 3.48Å; C584-L588 PolarHBondContact O-N 2.82Å; L588-T590 PolarHBondContact O-N 2.9Å; L588-T590 VanDerWaalsContact O-N 3.15Å; L588-I591 CarbonylContact O-C 3.57Å; L588-I591 VanDerWaalsContact O-C 3.25Å; L588-I591 WeakPolarHBondContact O-CA 3.38Å; L588-I591 PolarHBondContact O-N 3.5Å; L588-S594 WeakPolarHBondContact CB-OG 3.4Å; L588-S594 PolarHBondContact O-OG 2.87Å; L588-L598 HydrophobicContact CD1-CB 4.13Å; L588-L598 HydrophobicContact CD1-CD1 4.36Å; L588-W620 HydrophobicContact CB-CH2 4.02Å |
| 589 | Q | 92.4 | Very high | 93 | Very high | 52 Ų | 52 | 29.3 Ų | 29.3 | 24% | 0.243 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.3 | 173.7 | -164.7 | 173.8 | 7.9 | 0 | 0 | 113.2 | R585 H586 F587 I591 G619 W620 | R585-Q589 PolarHBondContact O-N 3.29Å; H586-Q589 WeakPolarHBondContact O-CB 3.39Å; H586-Q589 PolarHBondContact O-N 2.84Å; F587-Q589 PolarHBondContact O-N 3.02Å; Q589-I591 VanDerWaalsContact C-N 3.27Å; Q589-G619 VanDerWaalsContact NE2-C 3.29Å; Q589-G619 PolarHBondContact NE2-O 2.92Å; Q589-W620 HydrophobicContact CB-CE3 4.11Å; Q589-W620 HydrophobicContact CB-CH2 4.31Å; Q589-W620 HydrophobicContact CB-CZ3 3.85Å; Q589-W620 HydrophobicContact CG-CD2 4.33Å; Q589-W620 HydrophobicContact CG-CE3 3.87Å; Q589-W620 HydrophobicContact CG-CZ3 4.15Å |
| 590 | T | 92.8 | Very high | 93.2 | Very high | 97 Ų | 97 | 26.9 Ų | 26.9 | 60% | 0.595 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -9.1 | 172.3 | 72.1 | 0 | 0 | 0 | 0 | 113.3 | F587 L588 | F587-T590 WeakPolarHBondContact O-CB 3.36Å; F587-T590 PolarHBondContact O-N 3.15Å; F587-T590 PolarHBondContact O-OG1 3.2Å; L588-T590 PolarHBondContact O-N 2.9Å; L588-T590 VanDerWaalsContact O-N 3.15Å |
| 591 | I | 93.9 | Very high | 93.3 | Very high | 28 Ų | 28 | 26 Ų | 26 | 14% | 0.144 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -125.1 | 77.1 | 178.8 | -49.4 | 163.6 | 0 | 0 | 0 | 107.2 | F561 L565 F587 L588 Q589 E593 S594 | F561-I591 HydrophobicContact CD1-CD1 4.33Å; F561-I591 HydrophobicContact CE1-CD1 3.47Å; F561-I591 VanDerWaalsContact CE1-CD1 3.47Å; F561-I591 HydrophobicContact CE1-CG1 4.14Å; F561-I591 HydrophobicContact CE2-CD1 4.08Å; F561-I591 HydrophobicContact CZ-CD1 3.32Å; F561-I591 HydrophobicContact CZ-CG1 4.02Å; L565-I591 HydrophobicContact CD1-CD1 4.43Å; L565-I591 HydrophobicContact CD1-CG2 4.05Å; F587-I591 HydrophobicContact CE1-CD1 3.81Å; F587-I591 HydrophobicContact CZ-CD1 4.02Å; L588-I591 CarbonylContact O-C 3.57Å; L588-I591 VanDerWaalsContact O-C 3.25Å; L588-I591 WeakPolarHBondContact O-CA 3.38Å; L588-I591 PolarHBondContact O-N 3.5Å; Q589-I591 VanDerWaalsContact C-N 3.27Å; I591-E593 PolarHBondContact O-N 3.48Å; I591-S594 WeakPolarHBondContact O-CB 3.28Å; I591-S594 PolarHBondContact O-N 3.24Å; I591-S594 PolarHBondContact O-OG 3Å |
| 592 | P | 95.2 | Very high | 93.4 | Very high | 32 Ų | 32 | 26.4 Ų | 26.4 | 21% | 0.208 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -53.8 | -34.3 | -165.8 | -28.3 | 36.4 | 0 | 0 | 0 | 114.5 | S594 L595 W620 P621 V623 | P592-S594 PolarHBondContact O-N 3.38Å; P592-L595 PolarHBondContact O-N 3.23Å; P592-W620 PolarHBondContact O-NE1 3.36Å; P592-P621 HydrophobicContact CB-CB 4.06Å; P592-P621 HydrophobicContact CB-CG 4.48Å; P592-P621 HydrophobicContact CG-CB 3.61Å; P592-P621 HydrophobicContact CG-CG 3.84Å; P592-V623 HydrophobicContact CB-CG1 4.06Å; P592-V623 VanDerWaalsContact O-CG1 3.24Å; P592-V623 WeakPolarHBondContact O-CG1 2.87Å |
| 593 | E | 94.1 | Very high | 93.4 | Very high | 65 Ų | 65 | 30.4 Ų | 30.4 | 30% | 0.304 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -67.9 | -10.4 | 179.9 | -49.2 | -57.4 | 176.9 | 0 | 0 | 114.1 | I591 L595 P596 N624 V627 | I591-E593 PolarHBondContact O-N 3.48Å; E593-L595 PolarHBondContact O-N 3.14Å; E593-P596 WeakPolarHBondContact O-CD 3.45Å; E593-N624 WeakPolarHBondContact OE1-CB 3.29Å; E593-N624 PolarHBondContact OE1-N 2.87Å; E593-N624 PolarHBondContact OE1-ND2 2.91Å; E593-N624 PolarHBondContact OE2-N 2.99Å; E593-N624 PolarHBondContact OE2-ND2 2.92Å; E593-V627 HydrophobicContact CB-CG2 4.23Å; E593-V627 WeakPolarHBondContact OE2-CB 3.47Å; E593-V627 WeakPolarHBondContact OE2-CG2 3.36Å |
| 594 | S | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -78.8 | -4.4 | 175 | 72.2 | 0 | 0 | 0 | 0 | 113.9 | L565 L588 I591 P592 P596 R597 L598 | L565-S594 VanDerWaalsContact CD2-CB 3.49Å; L588-S594 WeakPolarHBondContact CB-OG 3.4Å; L588-S594 PolarHBondContact O-OG 2.87Å; I591-S594 WeakPolarHBondContact O-CB 3.28Å; I591-S594 PolarHBondContact O-N 3.24Å; I591-S594 PolarHBondContact O-OG 3Å; P592-S594 PolarHBondContact O-N 3.38Å; S594-P596 VanDerWaalsContact C-CD 3.47Å; S594-R597 WeakPolarHBondContact O-CB 3.29Å; S594-R597 PolarHBondContact O-N 3.37Å; S594-L598 PolarHBondContact O-N 3.35Å |
| 595 | L | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -51.8 | -43.4 | -174.6 | -177.6 | 56.3 | 0 | 0 | 0 | 113.9 | P592 E593 R597 L598 L599 L617 W620 L631 F644 | P592-L595 PolarHBondContact O-N 3.23Å; E593-L595 PolarHBondContact O-N 3.14Å; L595-R597 VanDerWaalsContact C-N 3.26Å; L595-R597 PolarHBondContact O-N 3.33Å; L595-L598 HydrophobicContact CD1-CD2 4.37Å; L595-L598 WeakPolarHBondContact O-CB 3.48Å; L595-L598 PolarHBondContact O-N 3.4Å; L595-L598 VanDerWaalsContact O-N 3.1Å; L595-L599 HydrophobicContact CD1-CD1 4.27Å; L595-L599 HydrophobicContact CD1-CD2 4.43Å; L595-L599 HydrophobicContact CD1-CG 4.07Å; L595-L599 HydrophobicContact CG-CD1 4Å; L595-L599 HydrophobicContact CG-CG 4.29Å; L595-L599 WeakPolarHBondContact O-CG 3.45Å; L595-L599 PolarHBondContact O-N 3.31Å; L595-L617 HydrophobicContact CD1-CD2 3.9Å; L595-L617 HydrophobicContact CD2-CD2 3.92Å; L595-W620 HydrophobicContact CB-CZ2 3.71Å; L595-W620 HydrophobicContact CD1-CD2 3.98Å; L595-W620 HydrophobicContact CD1-CE3 4.2Å; L595-W620 HydrophobicContact CD1-CH2 4.17Å; L595-W620 HydrophobicContact CD1-CZ2 3.96Å; L595-W620 HydrophobicContact CD1-CZ3 4.3Å; L595-W620 HydrophobicContact CD2-CD2 4.46Å; L595-W620 HydrophobicContact CD2-CG 4.27Å; L595-W620 HydrophobicContact CG-CZ2 4.37Å; L595-L631 HydrophobicContact CD2-CD1 3.73Å; L595-L631 HydrophobicContact CG-CD1 4.32Å; L595-F644 HydrophobicContact CD2-CD1 3.81Å; L595-F644 HydrophobicContact CD2-CE1 3.45Å; L595-F644 VanDerWaalsContact CD2-CE1 3.45Å; L595-F644 HydrophobicContact CD2-CZ 4.22Å |
| 596 | P | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.3 | -41.4 | 176.4 | -27.8 | 37.6 | 0 | 0 | 0 | 112.8 | E593 S594 L598 L599 D600 V627 L631 | E593-P596 WeakPolarHBondContact O-CD 3.45Å; S594-P596 VanDerWaalsContact C-CD 3.47Å; P596-L598 PolarHBondContact O-N 2.84Å; P596-L599 WeakPolarHBondContact O-CB 3.44Å; P596-L599 PolarHBondContact O-N 2.92Å; P596-L599 VanDerWaalsContact O-N 3.14Å; P596-D600 PolarHBondContact O-N 3.25Å; P596-V627 HydrophobicContact CG-CG1 3.77Å; P596-L631 HydrophobicContact CB-CD2 4.44Å; P596-L631 HydrophobicContact CG-CD2 3.98Å |
| 597 | R | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.2 | -39.1 | 178.1 | -56.2 | -60.9 | 149.2 | -156.9 | 20.9 | 112.5 | L564 L565 R567 D568 P569 M573 V581 S594 L595 L599 D600 A601 | L564-R597 HydrophobicContact CD2-CB 4.12Å; L564-R597 HydrophobicContact CD2-CG 4.36Å; L564-R597 HydrophobicContact CG-CG 4.29Å; L565-R597 HydrophobicContact CD2-CG 4.19Å; R567-R597 PolarHBondContact O-NH2 2.91Å; D568-R597 PolarHBondContact O-NH2 3.28Å; P569-R597 VanDerWaalsContact CA-NH2 3.27Å; P569-R597 PolarHBondContact O-NH1 2.95Å; M573-R597 HydrophobicContact CE-CB 4.38Å; V581-R597 WeakPolarHBondContact CG1-O 3.5Å; S594-R597 WeakPolarHBondContact O-CB 3.29Å; S594-R597 PolarHBondContact O-N 3.37Å; L595-R597 VanDerWaalsContact C-N 3.26Å; L595-R597 PolarHBondContact O-N 3.33Å; R597-L599 VanDerWaalsContact C-N 3.29Å; R597-L599 PolarHBondContact O-N 2.81Å; R597-D600 IonicContact CZ-OD2 2.88Å; R597-D600 IonicContact NH1-OD2 3.02Å; R597-D600 PolarHBondContact NH1-OD2 2.9Å; R597-D600 PolarHBondContact O-N 3.49Å; R597-A601 PolarHBondContact O-N 3.14Å |
| 598 | L | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 173.2 | 176.4 | 60.4 | 0 | 0 | 0 | 110.9 | W582 R585 L588 S594 L595 P596 A601 V602 L613 L616 W620 | W582-L598 HydrophobicContact CE3-CD1 3.74Å; W582-L598 HydrophobicContact CZ3-CD1 3.86Å; R585-L598 HydrophobicContact CB-CD1 3.45Å; R585-L598 VanDerWaalsContact CB-CD1 3.45Å; R585-L598 HydrophobicContact CB-CD2 4.25Å; L588-L598 HydrophobicContact CD1-CB 4.13Å; L588-L598 HydrophobicContact CD1-CD1 4.36Å; S594-L598 PolarHBondContact O-N 3.35Å; L595-L598 HydrophobicContact CD1-CD2 4.37Å; L595-L598 WeakPolarHBondContact O-CB 3.48Å; L595-L598 PolarHBondContact O-N 3.4Å; L595-L598 VanDerWaalsContact O-N 3.1Å; P596-L598 PolarHBondContact O-N 2.84Å; L598-A601 PolarHBondContact O-N 3.25Å; L598-V602 VanDerWaalsContact O-CG2 3.23Å; L598-V602 WeakPolarHBondContact O-CG2 3.34Å; L598-V602 PolarHBondContact O-N 2.85Å; L598-L613 HydrophobicContact CD2-CD1 4.28Å; L598-L613 HydrophobicContact CG-CD1 4.44Å; L598-L616 HydrophobicContact CD2-CD1 4.35Å; L598-W620 HydrophobicContact CD2-CE3 4.46Å; L598-W620 HydrophobicContact CD2-CH2 3.65Å; L598-W620 HydrophobicContact CD2-CZ3 3.46Å; L598-W620 VanDerWaalsContact CD2-CZ3 3.46Å |
| 599 | L | 96 | Very high | 93.4 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.8 | -38.2 | 179.5 | -65.6 | 171.1 | 0 | 0 | 0 | 112.7 | L595 P596 R597 A601 V602 W604 L613 L631 Y636 V641 | L595-L599 HydrophobicContact CD1-CD1 4.27Å; L595-L599 HydrophobicContact CD1-CD2 4.43Å; L595-L599 HydrophobicContact CD1-CG 4.07Å; L595-L599 HydrophobicContact CG-CD1 4Å; L595-L599 HydrophobicContact CG-CG 4.29Å; L595-L599 WeakPolarHBondContact O-CG 3.45Å; L595-L599 PolarHBondContact O-N 3.31Å; P596-L599 WeakPolarHBondContact O-CB 3.44Å; P596-L599 PolarHBondContact O-N 2.92Å; P596-L599 VanDerWaalsContact O-N 3.14Å; R597-L599 VanDerWaalsContact C-N 3.29Å; R597-L599 PolarHBondContact O-N 2.81Å; L599-A601 PolarHBondContact O-N 3.16Å; L599-V602 PolarHBondContact O-N 3.07Å; L599-W604 HydrophobicContact CD2-CH2 4.31Å; L599-W604 HydrophobicContact CD2-CZ2 4.12Å; L599-L613 HydrophobicContact CD2-CD1 3.79Å; L599-L613 HydrophobicContact CD2-CD2 3.67Å; L599-L613 HydrophobicContact CD2-CG 4.28Å; L599-L631 HydrophobicContact CD1-CD2 3.33Å; L599-Y636 HydrophobicContact CB-CD1 3.95Å; L599-Y636 HydrophobicContact CB-CE1 3.6Å; L599-Y636 HydrophobicContact CD1-CD1 3.85Å; L599-Y636 HydrophobicContact CD1-CE1 4.01Å; L599-Y636 HydrophobicContact CG-CE1 4.49Å; L599-V641 HydrophobicContact CD1-CG1 3.63Å; L599-V641 HydrophobicContact CD1-CG2 4.14Å; L599-V641 HydrophobicContact CD2-CG2 3.67Å |
| 600 | D | 93.4 | Very high | 93.5 | Very high | 38 Ų | 38 | 24.5 Ų | 24.5 | 20% | 0.203 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64 | -25.7 | 174.4 | -60.2 | -22.2 | 0 | 0 | 0 | 112.4 | M573 P596 R597 Y636 | M573-D600 HydrophobicContact CE-CB 3.83Å; P596-D600 PolarHBondContact O-N 3.25Å; R597-D600 IonicContact CZ-OD2 2.88Å; R597-D600 IonicContact NH1-OD2 3.02Å; R597-D600 PolarHBondContact NH1-OD2 2.9Å; R597-D600 PolarHBondContact O-N 3.49Å; D600-Y636 PolarHBondContact OD1-OH 2.96Å |
| 601 | A | 93.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.033 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -89.7 | -13.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | M573 R578 V581 R597 L598 L599 R603 | M573-A601 HydrophobicContact SD-CB 3.95Å; R578-A601 HydrophobicContact CB-CB 4.22Å; R578-A601 HydrophobicContact CG-CB 4.38Å; V581-A601 HydrophobicContact CB-CB 3.7Å; V581-A601 HydrophobicContact CG1-CB 3.46Å; V581-A601 VanDerWaalsContact CG1-CB 3.46Å; R597-A601 PolarHBondContact O-N 3.14Å; L598-A601 PolarHBondContact O-N 3.25Å; L599-A601 PolarHBondContact O-N 3.16Å; A601-R603 PolarHBondContact O-N 3.04Å |
| 602 | V | 93.5 | Very high | 93.2 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | trans | -69.4 | 128.9 | -179 | 172.7 | 0 | 0 | 0 | 0 | 110 | W582 L598 L599 W604 V610 L613 | W582-V602 HydrophobicContact CE3-CG2 3.95Å; W582-V602 HydrophobicContact CH2-CG2 4.18Å; W582-V602 HydrophobicContact CZ3-CB 4.34Å; W582-V602 HydrophobicContact CZ3-CG2 3.35Å; L598-V602 VanDerWaalsContact O-CG2 3.23Å; L598-V602 WeakPolarHBondContact O-CG2 3.34Å; L598-V602 PolarHBondContact O-N 2.85Å; L599-V602 PolarHBondContact O-N 3.07Å; V602-W604 HydrophobicContact CB-CZ2 4.49Å; V602-W604 HydrophobicContact CG1-CD2 4.01Å; V602-W604 HydrophobicContact CG1-CE3 4.42Å; V602-W604 HydrophobicContact CG1-CG 4.29Å; V602-W604 HydrophobicContact CG1-CZ2 4.47Å; V602-W604 VanDerWaalsContact O-CD1 3.24Å; V602-W604 PolarHBondContact O-N 2.94Å; V602-V610 HydrophobicContact CG1-CG2 4.45Å; V602-L613 HydrophobicContact CB-CD2 4.46Å; V602-L613 HydrophobicContact CG1-CD2 4.14Å; V602-L613 HydrophobicContact CG2-CB 4.45Å; V602-L613 HydrophobicContact CG2-CD1 4.07Å; V602-L613 HydrophobicContact CG2-CD2 3.82Å; V602-L613 HydrophobicContact CG2-CG 4.31Å | ||
| 603 | R | 92.9 | Very high | 93.2 | Very high | 101 Ų | 101 | 18.1 Ų | 18.1 | 38% | 0.381 | 9% | 0.089 | S | C | . | . | trans | -80.8 | 94.4 | 168 | -64.1 | 179.8 | -62.3 | -140.9 | -8.1 | 109.5 | E579 A601 T605 N606 D609 | E579-R603 IonicContact OE1-CZ 3.11Å; E579-R603 IonicContact OE1-NH1 2.68Å; E579-R603 PolarHBondContact OE1-NH1 2.83Å; A601-R603 PolarHBondContact O-N 3.04Å; R603-T605 PolarHBondContact O-N 2.87Å; R603-T605 VanDerWaalsContact O-N 3.15Å; R603-N606 HydrophobicContact CB-CB 3.97Å; R603-N606 WeakPolarHBondContact O-CB 3.41Å; R603-N606 PolarHBondContact O-N 2.97Å; R603-D609 IonicContact CZ-OD2 3.18Å; R603-D609 VanDerWaalsContact CZ-OD2 3.3Å; R603-D609 IonicContact NE-OD2 3.49Å; R603-D609 PolarHBondContact NE-OD2 3.4Å; R603-D609 IonicContact NH2-OD1 3.43Å; R603-D609 IonicContact NH2-OD2 3.74Å; R603-D609 PolarHBondContact NH2-OD2 2.9Å | ||
| 604 | W | 94 | Very high | 93.2 | Very high | 17 Ų | 17 | 16 Ų | 16 | 6% | 0.064 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.8 | -174.8 | -68.3 | 97.8 | 0 | 0 | 0 | 114.6 | F367 P401 L599 V602 N606 V610 L613 D638 V641 | F367-W604 HydrophobicContact CD1-CB 4.28Å; F367-W604 AromaticContact CD1-CD1 3.78Å; F367-W604 HydrophobicContact CD1-CD2 4.22Å; F367-W604 AromaticContact CD1-CG 3.83Å; F367-W604 HydrophobicContact CD1-CG 3.83Å; F367-W604 HydrophobicContact CE1-CB 4.35Å; F367-W604 AromaticContact CE1-CD1 3.47Å; F367-W604 VanDerWaalsContact CE1-CD1 3.47Å; F367-W604 AromaticContact CE1-CD2 3.42Å; F367-W604 HydrophobicContact CE1-CD2 3.42Å; F367-W604 VanDerWaalsContact CE1-CD2 3.42Å; F367-W604 AromaticContact CE1-CE2 3.36Å; F367-W604 HydrophobicContact CE1-CE3 4.1Å; F367-W604 AromaticContact CE1-CG 3.5Å; F367-W604 HydrophobicContact CE1-CG 3.5Å; F367-W604 AromaticContact CE1-CZ2 3.99Å; F367-W604 HydrophobicContact CE1-CZ2 3.99Å; F367-W604 AromaticContact CE1-NE1 3.42Å; F367-W604 HydrophobicContact CE2-CD2 4.07Å; F367-W604 AromaticContact CE2-CE3 3.96Å; F367-W604 HydrophobicContact CE2-CE3 3.96Å; F367-W604 HydrophobicContact CE2-CG 4.43Å; F367-W604 HydrophobicContact CE2-CZ3 4.39Å; F367-W604 HydrophobicContact CG-CB 4.48Å; F367-W604 HydrophobicContact CG-CG 4.44Å; F367-W604 AromaticContact CZ-CD2 3.31Å; F367-W604 HydrophobicContact CZ-CD2 3.31Å; F367-W604 AromaticContact CZ-CE2 3.49Å; F367-W604 VanDerWaalsContact CZ-CE2 3.49Å; F367-W604 AromaticContact CZ-CE3 3.49Å; F367-W604 HydrophobicContact CZ-CE3 3.49Å; F367-W604 VanDerWaalsContact CZ-CE3 3.49Å; F367-W604 AromaticContact CZ-CG 3.82Å; F367-W604 HydrophobicContact CZ-CG 3.82Å; F367-W604 AromaticContact CZ-CH2 3.95Å; F367-W604 HydrophobicContact CZ-CH2 3.95Å; F367-W604 AromaticContact CZ-CZ2 3.82Å; F367-W604 HydrophobicContact CZ-CZ2 3.82Å; F367-W604 AromaticContact CZ-CZ3 3.8Å; F367-W604 HydrophobicContact CZ-CZ3 3.8Å; P401-W604 HydrophobicContact CB-CB 4.12Å; P401-W604 HydrophobicContact CB-CE3 4.39Å; P401-W604 HydrophobicContact CG-CB 4.23Å; L599-W604 HydrophobicContact CD2-CH2 4.31Å; L599-W604 HydrophobicContact CD2-CZ2 4.12Å; V602-W604 HydrophobicContact CB-CZ2 4.49Å; V602-W604 HydrophobicContact CG1-CD2 4.01Å; V602-W604 HydrophobicContact CG1-CE3 4.42Å; V602-W604 HydrophobicContact CG1-CG 4.29Å; V602-W604 HydrophobicContact CG1-CZ2 4.47Å; V602-W604 VanDerWaalsContact O-CD1 3.24Å; V602-W604 PolarHBondContact O-N 2.94Å; W604-N606 VanDerWaalsContact C-N 3.3Å; W604-V610 HydrophobicContact CE3-CG2 4.06Å; W604-V610 WeakPolarHBondContact O-CG2 3.06Å; W604-L613 HydrophobicContact CH2-CD2 3.54Å; W604-L613 HydrophobicContact CZ2-CD2 4.07Å; W604-L613 HydrophobicContact CZ3-CD2 3.99Å; W604-D638 HydrophobicContact CH2-CB 3.7Å; W604-D638 HydrophobicContact CZ3-CB 3.78Å; W604-V641 HydrophobicContact CH2-CG2 4.16Å |
| 605 | T | 93 | Very high | 93 | Very high | 49 Ų | 49 | 19 Ų | 19 | 30% | 0.301 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3.4 | 172.9 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | L372 L395 Q399 R603 | L372-T605 HydrophobicContact CD1-CG2 4.34Å; L372-T605 HydrophobicContact CD2-CG2 3.87Å; L395-T605 HydrophobicContact CD1-CG2 4.15Å; Q399-T605 VanDerWaalsContact CB-O 3.32Å; Q399-T605 WeakPolarHBondContact CB-O 3.49Å; Q399-T605 VanDerWaalsContact CG-O 3.25Å; Q399-T605 WeakPolarHBondContact CG-O 3.46Å; Q399-T605 WeakPolarHBondContact O-CA 3.36Å; R603-T605 PolarHBondContact O-N 2.87Å; R603-T605 VanDerWaalsContact O-N 3.15Å |
| 606 | N | 91.6 | Very high | 92.9 | Very high | 44 Ų | 44 | 19.5 Ų | 19.5 | 24% | 0.235 | 10% | 0.103 | C | C | . | . | trans | -99.3 | 104.5 | 173.6 | -174.2 | -35.2 | 0 | 0 | 0 | 110.6 | R603 W604 A608 D609 V610 | R603-N606 HydrophobicContact CB-CB 3.97Å; R603-N606 WeakPolarHBondContact O-CB 3.41Å; R603-N606 PolarHBondContact O-N 2.97Å; W604-N606 VanDerWaalsContact C-N 3.3Å; N606-A608 PolarHBondContact O-N 2.92Å; N606-A608 WeakPolarHBondContact OD1-CB 3.5Å; N606-A608 PolarHBondContact OD1-N 3.33Å; N606-D609 HydrophobicContact CB-CB 4.05Å; N606-D609 PolarHBondContact ND2-OD2 3.27Å; N606-D609 PolarHBondContact O-N 3.38Å; N606-D609 VanDerWaalsContact O-N 3.07Å; N606-D609 PolarHBondContact OD1-N 3.46Å; N606-V610 WeakPolarHBondContact O-CG2 3.23Å; N606-V610 PolarHBondContact O-N 2.86Å | ||
| 607 | T | 89.8 | Confident | 92.8 | Very high | 13 Ų | 13 | 20.1 Ų | 20.1 | 8% | 0.08 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.7 | -32.4 | -179.3 | -43.1 | 0 | 0 | 0 | 0 | 113.9 | W335 Y398 C611 | W335-T607 HydrophobicContact CB-CG2 4.41Å; W335-T607 HydrophobicContact CD2-CG2 3.31Å; W335-T607 VanDerWaalsContact CE2-CG2 3.44Å; W335-T607 HydrophobicContact CE3-CG2 3.72Å; W335-T607 HydrophobicContact CG-CG2 3.64Å; W335-T607 HydrophobicContact CH2-CG2 4.34Å; W335-T607 HydrophobicContact CZ2-CG2 3.98Å; W335-T607 HydrophobicContact CZ3-CG2 4.23Å; Y398-T607 VanDerWaalsContact CD2-OG1 3.22Å; Y398-T607 WeakPolarHBondContact CD2-OG1 3.48Å; Y398-T607 PolarHBondContact O-OG1 3.49Å; T607-C611 WeakPolarHBondContact O-CB 3.49Å; T607-C611 PolarHBondContact O-N 2.95Å |
| 608 | A | 87.9 | Confident | 92.7 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71 | -39.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | F504 L546 N606 E612 | F504-A608 HydrophobicContact CD1-CB 3.72Å; F504-A608 HydrophobicContact CD2-CB 4.02Å; F504-A608 HydrophobicContact CE1-CB 3.79Å; F504-A608 HydrophobicContact CE2-CB 4.08Å; F504-A608 HydrophobicContact CG-CB 3.85Å; F504-A608 HydrophobicContact CZ-CB 3.98Å; L546-A608 HydrophobicContact CD1-CB 4.49Å; L546-A608 HydrophobicContact CD2-CB 4.36Å; N606-A608 PolarHBondContact O-N 2.92Å; N606-A608 WeakPolarHBondContact OD1-CB 3.5Å; N606-A608 PolarHBondContact OD1-N 3.33Å; A608-E612 PolarHBondContact O-N 2.95Å; A608-E612 VanDerWaalsContact O-N 3.12Å |
| 609 | D | 91.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.6 | -46.7 | 177.2 | -65.7 | -14.8 | 0 | 0 | 0 | 110.5 | W582 R603 N606 C611 E612 L613 | W582-D609 HydrophobicContact CH2-CB 3.99Å; W582-D609 WeakPolarHBondContact CH2-O 3.38Å; W582-D609 HydrophobicContact CZ2-CB 3.48Å; W582-D609 VanDerWaalsContact CZ2-CB 3.48Å; W582-D609 PolarHBondContact NE1-OD1 3.02Å; R603-D609 IonicContact CZ-OD2 3.18Å; R603-D609 VanDerWaalsContact CZ-OD2 3.3Å; R603-D609 IonicContact NE-OD2 3.49Å; R603-D609 PolarHBondContact NE-OD2 3.4Å; R603-D609 IonicContact NH2-OD1 3.43Å; R603-D609 IonicContact NH2-OD2 3.74Å; R603-D609 PolarHBondContact NH2-OD2 2.9Å; N606-D609 HydrophobicContact CB-CB 4.05Å; N606-D609 PolarHBondContact ND2-OD2 3.27Å; N606-D609 PolarHBondContact O-N 3.38Å; N606-D609 VanDerWaalsContact O-N 3.07Å; N606-D609 PolarHBondContact OD1-N 3.46Å; D609-C611 PolarHBondContact O-N 3.06Å; D609-E612 PolarHBondContact O-N 3.45Å; D609-L613 PolarHBondContact O-N 3Å |
| 610 | V | 93.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 112 | V602 W604 N606 E612 L613 Y614 | V602-V610 HydrophobicContact CG1-CG2 4.45Å; W604-V610 HydrophobicContact CE3-CG2 4.06Å; W604-V610 WeakPolarHBondContact O-CG2 3.06Å; N606-V610 WeakPolarHBondContact O-CG2 3.23Å; N606-V610 PolarHBondContact O-N 2.86Å; V610-E612 VanDerWaalsContact C-N 3.33Å; V610-E612 PolarHBondContact O-N 2.78Å; V610-L613 PolarHBondContact O-N 3.27Å; V610-Y614 HydrophobicContact CG1-CD2 4.07Å; V610-Y614 HydrophobicContact CG1-CE1 4.06Å; V610-Y614 HydrophobicContact CG1-CE2 3.5Å; V610-Y614 PolarHBondContact O-N 3.07Å |
| 611 | C | 91.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.5 | -38.2 | 179.1 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | W335 R497 A501 F504 T607 D609 S615 | W335-C611 HydrophobicContact CH2-CB 3.79Å; W335-C611 HydrophobicContact CZ3-CB 3.92Å; R497-C611 PolarHBondContact O-SG 2.9Å; R497-C611 VanDerWaalsContact O-SG 3.42Å; A501-C611 VanDerWaalsContact CA-SG 3.57Å; A501-C611 PolarHBondContact N-SG 2.88Å; A501-C611 VanDerWaalsContact N-SG 3.35Å; F504-C611 HydrophobicContact CD2-CB 4.21Å; F504-C611 HydrophobicContact CE2-CB 4.19Å; T607-C611 WeakPolarHBondContact O-CB 3.49Å; T607-C611 PolarHBondContact O-N 2.95Å; D609-C611 PolarHBondContact O-N 3.06Å; C611-S615 PolarHBondContact O-N 2.88Å; C611-S615 PolarHBondContact O-OG 3.48Å |
| 612 | E | 90.4 | Very high | 92.9 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 9% | 0.093 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.7 | -42.5 | 173.5 | -178.5 | 172 | -149.4 | 0 | 0 | 112.2 | R508 R585 H586 A608 D609 V610 Y614 S615 L616 | R508-E612 IonicContact CZ-OE1 3.28Å; R508-E612 IonicContact CZ-OE2 3.87Å; R508-E612 IonicContact NH1-OE1 3.78Å; R508-E612 PolarHBondContact NH1-OE1 3.08Å; R508-E612 IonicContact NH1-OE2 3.65Å; R508-E612 PolarHBondContact NH1-OE2 2.94Å; R508-E612 IonicContact NH2-OE2 3.33Å; R508-E612 PolarHBondContact NH2-OE2 3.21Å; R585-E612 IonicContact CZ-OE1 3.08Å; R585-E612 VanDerWaalsContact CZ-OE1 3.24Å; R585-E612 IonicContact CZ-OE2 3.03Å; R585-E612 IonicContact NE-OE1 2.81Å; R585-E612 PolarHBondContact NE-OE1 2.86Å; R585-E612 IonicContact NE-OE2 2.92Å; R585-E612 PolarHBondContact NE-OE2 3.05Å; R585-E612 VanDerWaalsContact NE-OE2 3.15Å; R585-E612 IonicContact NH2-OE1 2.64Å; R585-E612 PolarHBondContact NH2-OE1 3.14Å; R585-E612 IonicContact NH2-OE2 3.73Å; R585-E612 PolarHBondContact NH2-OE2 2.68Å; H586-E612 IonicContact NE2-OE1 2.82Å; A608-E612 PolarHBondContact O-N 2.95Å; A608-E612 VanDerWaalsContact O-N 3.12Å; D609-E612 PolarHBondContact O-N 3.45Å; V610-E612 VanDerWaalsContact C-N 3.33Å; V610-E612 PolarHBondContact O-N 2.78Å; E612-Y614 VanDerWaalsContact C-N 3.32Å; E612-Y614 PolarHBondContact O-N 3.01Å; E612-S615 WeakPolarHBondContact O-CA 3.39Å; E612-S615 WeakPolarHBondContact O-CB 3.32Å; E612-S615 PolarHBondContact O-N 3.21Å; E612-L616 HydrophobicContact CG-CD1 4.34Å; E612-L616 PolarHBondContact O-N 3.3Å |
| 613 | L | 94.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.9 | -48.1 | 174.9 | 174.4 | 68.5 | 0 | 0 | 0 | 111.1 | W582 L598 L599 V602 W604 D609 V610 S615 L616 L617 | W582-L613 HydrophobicContact CH2-CB 4.36Å; L598-L613 HydrophobicContact CD2-CD1 4.28Å; L598-L613 HydrophobicContact CG-CD1 4.44Å; L599-L613 HydrophobicContact CD2-CD1 3.79Å; L599-L613 HydrophobicContact CD2-CD2 3.67Å; L599-L613 HydrophobicContact CD2-CG 4.28Å; V602-L613 HydrophobicContact CB-CD2 4.46Å; V602-L613 HydrophobicContact CG1-CD2 4.14Å; V602-L613 HydrophobicContact CG2-CB 4.45Å; V602-L613 HydrophobicContact CG2-CD1 4.07Å; V602-L613 HydrophobicContact CG2-CD2 3.82Å; V602-L613 HydrophobicContact CG2-CG 4.31Å; W604-L613 HydrophobicContact CH2-CD2 3.54Å; W604-L613 HydrophobicContact CZ2-CD2 4.07Å; W604-L613 HydrophobicContact CZ3-CD2 3.99Å; D609-L613 PolarHBondContact O-N 3Å; V610-L613 PolarHBondContact O-N 3.27Å; L613-S615 PolarHBondContact O-N 3.23Å; L613-L616 WeakPolarHBondContact O-CB 3.41Å; L613-L616 PolarHBondContact O-N 3.47Å; L613-L616 VanDerWaalsContact O-N 3.08Å; L613-L617 HydrophobicContact CD1-CD1 4.36Å; L613-L617 HydrophobicContact CD1-CG 4.22Å; L613-L617 HydrophobicContact CD2-CD1 4.45Å; L613-L617 HydrophobicContact CG-CD1 4.02Å; L613-L617 HydrophobicContact CG-CG 4.31Å; L613-L617 WeakPolarHBondContact O-CG 3.49Å; L613-L617 PolarHBondContact O-N 2.98Å |
| 614 | Y | 94.5 | Very high | 93.2 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 8% | 0.078 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.7 | -31.8 | 177.8 | -66.3 | -20.1 | 0 | 0 | 0 | 112.8 | F491 V610 E612 L617 H618 D638 F640 | F491-Y614 HydrophobicContact CE1-CE2 4.3Å; F491-Y614 HydrophobicContact CZ-CE2 4.06Å; V610-Y614 HydrophobicContact CG1-CD2 4.07Å; V610-Y614 HydrophobicContact CG1-CE1 4.06Å; V610-Y614 HydrophobicContact CG1-CE2 3.5Å; V610-Y614 PolarHBondContact O-N 3.07Å; E612-Y614 VanDerWaalsContact C-N 3.32Å; E612-Y614 PolarHBondContact O-N 3.01Å; Y614-L617 HydrophobicContact CD1-CD1 4.26Å; Y614-H618 PolarHBondContact O-N 2.96Å; Y614-D638 WeakPolarHBondContact CE1-OD2 3.22Å; Y614-D638 PolarHBondContact OH-OD2 3.14Å; Y614-F640 HydrophobicContact CD1-CB 4.11Å; Y614-F640 HydrophobicContact CD1-CD2 4.02Å; Y614-F640 HydrophobicContact CD1-CG 4.2Å; Y614-F640 HydrophobicContact CD2-CD2 4.33Å; Y614-F640 HydrophobicContact CD2-CE2 4.43Å; Y614-F640 HydrophobicContact CE1-CB 4.03Å; Y614-F640 AromaticContact CE1-CD2 3.6Å; Y614-F640 HydrophobicContact CE1-CD2 3.6Å; Y614-F640 HydrophobicContact CE1-CE2 4.49Å; Y614-F640 HydrophobicContact CE1-CG 4.12Å; Y614-F640 AromaticContact CE2-CD2 3.93Å; Y614-F640 HydrophobicContact CE2-CD2 3.93Å; Y614-F640 HydrophobicContact CE2-CE2 4.02Å; Y614-F640 HydrophobicContact CG-CD2 4.36Å; Y614-F640 AromaticContact CZ-CD2 3.54Å |
| 615 | S | 91.3 | Very high | 93.3 | Very high | 65 Ų | 65 | 32.9 Ų | 32.9 | 46% | 0.455 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.5 | -38.7 | 174.3 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | C611 E612 L613 | C611-S615 PolarHBondContact O-N 2.88Å; C611-S615 PolarHBondContact O-OG 3.48Å; E612-S615 WeakPolarHBondContact O-CA 3.39Å; E612-S615 WeakPolarHBondContact O-CB 3.32Å; E612-S615 PolarHBondContact O-N 3.21Å; L613-S615 PolarHBondContact O-N 3.23Å |
| 616 | L | 92.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.8 | -46.6 | 174.1 | -70.1 | 170.9 | 0 | 0 | 0 | 111.8 | R585 H586 L598 E612 L613 H618 G619 W620 | R585-L616 HydrophobicContact CB-CD1 4.02Å; R585-L616 HydrophobicContact CG-CD1 3.98Å; H586-L616 WeakPolarHBondContact ND1-CD2 3.29Å; L598-L616 HydrophobicContact CD2-CD1 4.35Å; E612-L616 HydrophobicContact CG-CD1 4.34Å; E612-L616 PolarHBondContact O-N 3.3Å; L613-L616 WeakPolarHBondContact O-CB 3.41Å; L613-L616 PolarHBondContact O-N 3.47Å; L613-L616 VanDerWaalsContact O-N 3.08Å; L616-H618 VanDerWaalsContact C-N 3.26Å; L616-H618 PolarHBondContact O-N 3.3Å; L616-G619 CarbonylContact O-C 3.52Å; L616-G619 PolarHBondContact O-N 3.38Å; L616-W620 HydrophobicContact CB-CE3 4.48Å; L616-W620 PolarHBondContact O-N 2.85Å |
| 617 | L | 94.9 | Very high | 93.6 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.4 | -38 | 179.3 | -77.7 | 173.6 | 0 | 0 | 0 | 112.3 | L595 L613 Y614 G619 W620 F640 V641 | L595-L617 HydrophobicContact CD1-CD2 3.9Å; L595-L617 HydrophobicContact CD2-CD2 3.92Å; L613-L617 HydrophobicContact CD1-CD1 4.36Å; L613-L617 HydrophobicContact CD1-CG 4.22Å; L613-L617 HydrophobicContact CD2-CD1 4.45Å; L613-L617 HydrophobicContact CG-CD1 4.02Å; L613-L617 HydrophobicContact CG-CG 4.31Å; L613-L617 WeakPolarHBondContact O-CG 3.49Å; L613-L617 PolarHBondContact O-N 2.98Å; Y614-L617 HydrophobicContact CD1-CD1 4.26Å; L617-G619 PolarHBondContact O-N 2.71Å; L617-W620 PolarHBondContact O-N 2.73Å; L617-W620 VanDerWaalsContact O-N 3.15Å; L617-F640 HydrophobicContact CD1-CB 4.45Å; L617-V641 HydrophobicContact CD1-CG2 3.82Å |
| 618 | H | 91.4 | Very high | 93.9 | Very high | 182 Ų | 182 | 29.5 Ų | 29.5 | 84% | 0.843 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -60 | -29.6 | 177.3 | -174.9 | 65.9 | 0 | 0 | 0 | 113.3 | Y614 L616 | Y614-H618 PolarHBondContact O-N 2.96Å; L616-H618 VanDerWaalsContact C-N 3.26Å; L616-H618 PolarHBondContact O-N 3.3Å |
| 619 | G | 91.7 | Very high | 94.4 | Very high | 47 Ų | 47 | 29.2 Ų | 29.2 | 49% | 0.485 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 11.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q589 L616 L617 | Q589-G619 VanDerWaalsContact NE2-C 3.29Å; Q589-G619 PolarHBondContact NE2-O 2.92Å; L616-G619 CarbonylContact O-C 3.52Å; L616-G619 PolarHBondContact O-N 3.38Å; L617-G619 PolarHBondContact O-N 2.71Å |
| 620 | W | 96.8 | Very high | 94.7 | Very high | 14 Ų | 14 | 29 Ų | 29 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -74 | 133.4 | -176.3 | -159.3 | -86.5 | 0 | 0 | 0 | 110.5 | L588 Q589 P592 L595 L598 L616 L617 F644 | L588-W620 HydrophobicContact CB-CH2 4.02Å; Q589-W620 HydrophobicContact CB-CE3 4.11Å; Q589-W620 HydrophobicContact CB-CH2 4.31Å; Q589-W620 HydrophobicContact CB-CZ3 3.85Å; Q589-W620 HydrophobicContact CG-CD2 4.33Å; Q589-W620 HydrophobicContact CG-CE3 3.87Å; Q589-W620 HydrophobicContact CG-CZ3 4.15Å; P592-W620 PolarHBondContact O-NE1 3.36Å; L595-W620 HydrophobicContact CB-CZ2 3.71Å; L595-W620 HydrophobicContact CD1-CD2 3.98Å; L595-W620 HydrophobicContact CD1-CE3 4.2Å; L595-W620 HydrophobicContact CD1-CH2 4.17Å; L595-W620 HydrophobicContact CD1-CZ2 3.96Å; L595-W620 HydrophobicContact CD1-CZ3 4.3Å; L595-W620 HydrophobicContact CD2-CD2 4.46Å; L595-W620 HydrophobicContact CD2-CG 4.27Å; L595-W620 HydrophobicContact CG-CZ2 4.37Å; L598-W620 HydrophobicContact CD2-CE3 4.46Å; L598-W620 HydrophobicContact CD2-CH2 3.65Å; L598-W620 HydrophobicContact CD2-CZ3 3.46Å; L598-W620 VanDerWaalsContact CD2-CZ3 3.46Å; L616-W620 HydrophobicContact CB-CE3 4.48Å; L616-W620 PolarHBondContact O-N 2.85Å; L617-W620 PolarHBondContact O-N 2.73Å; L617-W620 VanDerWaalsContact O-N 3.15Å; W620-F644 HydrophobicContact CB-CE2 3.98Å; W620-F644 HydrophobicContact CB-CZ 4.2Å; W620-F644 AromaticContact CD1-CZ 3.64Å; W620-F644 HydrophobicContact CG-CZ 4.26Å |
| 621 | P | 97.2 | Very high | 94.9 | Very high | 55 Ų | 55 | 28.8 Ų | 28.8 | 36% | 0.357 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -66.4 | 155.7 | 179.4 | -20.7 | 33.9 | 0 | 0 | 0 | 112.8 | P592 V623 F644 | P592-P621 HydrophobicContact CB-CB 4.06Å; P592-P621 HydrophobicContact CB-CG 4.48Å; P592-P621 HydrophobicContact CG-CB 3.61Å; P592-P621 HydrophobicContact CG-CG 3.84Å; P621-V623 PolarHBondContact O-N 2.95Å; P621-F644 WeakPolarHBondContact O-CZ 3.13Å |
| 622 | T | 97.1 | Very high | 95.1 | Very high | 59 Ų | 59 | 28.7 Ų | 28.7 | 36% | 0.362 | 17% | 0.166 | S | C | . | . | P | Polyproline II helix | trans | -57.3 | 129.8 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | C648 K651 T652 | T622-C648 HydrophobicContact CG2-CB 4.18Å; T622-K651 HydrophobicContact CG2-CD 4.33Å; T622-K651 PolarHBondContact OG1-NZ 3.43Å; T622-T652 HydrophobicContact CG2-CG2 3.61Å |
| 623 | V | 96.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -94.8 | 161.8 | 175.9 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | P592 P621 V627 A628 F644 C648 | P592-V623 HydrophobicContact CB-CG1 4.06Å; P592-V623 VanDerWaalsContact O-CG1 3.24Å; P592-V623 WeakPolarHBondContact O-CG1 2.87Å; P621-V623 PolarHBondContact O-N 2.95Å; V623-V627 HydrophobicContact CB-CB 4.16Å; V623-V627 HydrophobicContact CB-CG1 3.92Å; V623-V627 HydrophobicContact CG1-CG1 4.2Å; V623-V627 HydrophobicContact CG2-CB 4.25Å; V623-V627 HydrophobicContact CG2-CG1 3.97Å; V623-A628 HydrophobicContact CG2-CB 3.95Å; V623-F644 HydrophobicContact CG1-CE1 4.14Å; V623-F644 HydrophobicContact CG1-CZ 4.18Å; V623-F644 HydrophobicContact CG2-CE1 3.99Å; V623-F644 HydrophobicContact CG2-CZ 4.46Å; V623-C648 HydrophobicContact CG2-CB 4.01Å |
| 624 | N | 95.4 | Very high | 95.2 | Very high | 59 Ų | 59 | 28.2 Ų | 28.2 | 32% | 0.316 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -67.4 | 163.2 | 176 | 74.2 | 54 | 0 | 0 | 0 | 112.3 | E593 M626 V627 A628 | E593-N624 WeakPolarHBondContact OE1-CB 3.29Å; E593-N624 PolarHBondContact OE1-N 2.87Å; E593-N624 PolarHBondContact OE1-ND2 2.91Å; E593-N624 PolarHBondContact OE2-N 2.99Å; E593-N624 PolarHBondContact OE2-ND2 2.92Å; N624-M626 VanDerWaalsContact C-N 3.3Å; N624-M626 PolarHBondContact O-N 3.39Å; N624-M626 WeakPolarHBondContact OD1-CB 3.24Å; N624-M626 PolarHBondContact OD1-N 3.3Å; N624-V627 PolarHBondContact O-N 3.11Å; N624-V627 PolarHBondContact OD1-N 3.25Å; N624-A628 PolarHBondContact O-N 2.99Å |
| 625 | P | 95.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 28.8 Ų | 28.8 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.8 | -34.9 | -177.2 | -25.8 | 33.2 | 0 | 0 | 0 | 115.1 | A628 M629 L649 T652 L653 | P625-A628 PolarHBondContact O-N 3.44Å; P625-M629 WeakPolarHBondContact O-CB 3.44Å; P625-M629 WeakPolarHBondContact O-CG 3.32Å; P625-M629 PolarHBondContact O-N 3Å; P625-L649 HydrophobicContact CB-CD2 4.1Å; P625-L649 WeakPolarHBondContact O-CD2 3.32Å; P625-T652 WeakPolarHBondContact CG-OG1 3.29Å; P625-L653 HydrophobicContact CB-CD1 3.85Å; P625-L653 HydrophobicContact CG-CD1 4.35Å |
| 626 | M | 94.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 25.9 Ų | 25.9 | 14% | 0.143 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.2 | -43.2 | -178.4 | -70.8 | -55.4 | -41.6 | 0 | 0 | 111.7 | N624 M629 E630 Y661 I1022 T1025 | N624-M626 VanDerWaalsContact C-N 3.3Å; N624-M626 PolarHBondContact O-N 3.39Å; N624-M626 WeakPolarHBondContact OD1-CB 3.24Å; N624-M626 PolarHBondContact OD1-N 3.3Å; M626-M629 HydrophobicContact CE-CE 3.61Å; M626-M629 HydrophobicContact CG-CE 4.49Å; M626-M629 PolarHBondContact O-N 3.32Å; M626-M629 HydrophobicContact SD-CE 3.21Å; M626-M629 WeakPolarHBondContact SD-CE 3.47Å; M626-E630 PolarHBondContact O-N 3.13Å; M626-Y661 HydrophobicContact SD-CE1 4.46Å; M626-I1022 HydrophobicContact CE-CB 4.03Å; M626-I1022 HydrophobicContact CE-CG1 3.99Å; M626-I1022 HydrophobicContact CE-CG2 3.74Å; M626-I1022 HydrophobicContact CG-CG1 4.22Å; M626-I1022 HydrophobicContact SD-CG1 4.24Å; M626-I1022 HydrophobicContact SD-CG2 4.15Å; M626-T1025 HydrophobicContact CE-CG2 4.43Å |
| 627 | V | 96.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.03 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.9 | -42.6 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | E593 P596 V623 N624 M629 E630 L631 | E593-V627 HydrophobicContact CB-CG2 4.23Å; E593-V627 WeakPolarHBondContact OE2-CB 3.47Å; E593-V627 WeakPolarHBondContact OE2-CG2 3.36Å; P596-V627 HydrophobicContact CG-CG1 3.77Å; V623-V627 HydrophobicContact CB-CB 4.16Å; V623-V627 HydrophobicContact CB-CG1 3.92Å; V623-V627 HydrophobicContact CG1-CG1 4.2Å; V623-V627 HydrophobicContact CG2-CB 4.25Å; V623-V627 HydrophobicContact CG2-CG1 3.97Å; N624-V627 PolarHBondContact O-N 3.11Å; N624-V627 PolarHBondContact OD1-N 3.25Å; V627-M629 VanDerWaalsContact C-N 3.32Å; V627-M629 PolarHBondContact O-N 3.23Å; V627-E630 WeakPolarHBondContact O-CB 3.39Å; V627-E630 PolarHBondContact O-N 2.81Å; V627-L631 WeakPolarHBondContact O-CG 3.3Å; V627-L631 PolarHBondContact O-N 3.26Å; V627-L631 VanDerWaalsContact O-N 3.17Å |
| 628 | A | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.1 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V623 N624 P625 L631 A645 C648 L649 | V623-A628 HydrophobicContact CG2-CB 3.95Å; N624-A628 PolarHBondContact O-N 2.99Å; P625-A628 PolarHBondContact O-N 3.44Å; A628-L631 PolarHBondContact O-N 2.86Å; A628-A645 WeakPolarHBondContact O-CB 3.28Å; A628-C648 HydrophobicContact CB-CB 3.91Å; A628-L649 HydrophobicContact CB-CD2 3.69Å; A628-L649 HydrophobicContact CB-CG 3.73Å |
| 629 | M | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.5 | -37.7 | 174.2 | -76.9 | -168.1 | -61.8 | 0 | 0 | 112.7 | P625 M626 V627 L631 L632 L649 Y661 L665 L1026 M1029 | P625-M629 WeakPolarHBondContact O-CB 3.44Å; P625-M629 WeakPolarHBondContact O-CG 3.32Å; P625-M629 PolarHBondContact O-N 3Å; M626-M629 HydrophobicContact CE-CE 3.61Å; M626-M629 HydrophobicContact CG-CE 4.49Å; M626-M629 PolarHBondContact O-N 3.32Å; M626-M629 HydrophobicContact SD-CE 3.21Å; M626-M629 WeakPolarHBondContact SD-CE 3.47Å; V627-M629 VanDerWaalsContact C-N 3.32Å; V627-M629 PolarHBondContact O-N 3.23Å; M629-L631 VanDerWaalsContact C-N 3.28Å; M629-L631 PolarHBondContact O-N 3.06Å; M629-L632 WeakPolarHBondContact O-CB 3.48Å; M629-L632 PolarHBondContact O-N 3.18Å; M629-L649 HydrophobicContact CG-CD1 4.34Å; M629-L649 HydrophobicContact CG-CD2 3.92Å; M629-Y661 HydrophobicContact CE-CD1 4Å; M629-Y661 HydrophobicContact CE-CD2 3.97Å; M629-Y661 HydrophobicContact CE-CE1 4.19Å; M629-Y661 HydrophobicContact CE-CE2 4.17Å; M629-Y661 HydrophobicContact CE-CG 3.9Å; M629-Y661 HydrophobicContact SD-CD1 4.26Å; M629-Y661 HydrophobicContact SD-CD2 4.24Å; M629-Y661 HydrophobicContact SD-CG 3.85Å; M629-L665 HydrophobicContact CG-CD2 4.19Å; M629-L665 HydrophobicContact SD-CD2 4.47Å; M629-L1026 HydrophobicContact CE-CD2 4.49Å; M629-M1029 HydrophobicContact CB-CE 4.17Å; M629-M1029 HydrophobicContact CB-SD 3.87Å; M629-M1029 HydrophobicContact CG-CE 4.41Å |
| 630 | E | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.6 | -42.6 | 173.7 | -171.6 | 178.3 | 161.9 | 0 | 0 | 111.7 | M626 V627 L632 D633 R635 Y636 R1021 T1025 | M626-E630 PolarHBondContact O-N 3.13Å; V627-E630 WeakPolarHBondContact O-CB 3.39Å; V627-E630 PolarHBondContact O-N 2.81Å; E630-L632 PolarHBondContact O-N 3.04Å; E630-D633 PolarHBondContact O-N 3.35Å; E630-R635 IonicContact OE1-CZ 3.39Å; E630-R635 IonicContact OE1-NH2 2.69Å; E630-R635 PolarHBondContact OE1-NH2 3.49Å; E630-Y636 HydrophobicContact CG-CE2 4.13Å; E630-Y636 VanDerWaalsContact O-CD2 3.22Å; E630-Y636 WeakPolarHBondContact O-CD2 3.43Å; E630-R1021 IonicContact OE1-NH2 3.76Å; E630-R1021 IonicContact OE2-CZ 3.73Å; E630-R1021 VanDerWaalsContact OE2-CZ 3.22Å; E630-R1021 IonicContact OE2-NE 2.72Å; E630-R1021 PolarHBondContact OE2-NE 3.38Å; E630-R1021 IonicContact OE2-NH2 2.88Å; E630-R1021 PolarHBondContact OE2-NH2 2.88Å; E630-T1025 HydrophobicContact CB-CG2 3.75Å; E630-T1025 HydrophobicContact CG-CG2 4.3Å |
| 631 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -2.2 | 177 | -60.7 | -179.9 | 0 | 0 | 0 | 114.6 | L595 P596 L599 V627 A628 M629 Y636 V641 F644 A645 | L595-L631 HydrophobicContact CD2-CD1 3.73Å; L595-L631 HydrophobicContact CG-CD1 4.32Å; P596-L631 HydrophobicContact CB-CD2 4.44Å; P596-L631 HydrophobicContact CG-CD2 3.98Å; L599-L631 HydrophobicContact CD1-CD2 3.33Å; V627-L631 WeakPolarHBondContact O-CG 3.3Å; V627-L631 PolarHBondContact O-N 3.26Å; V627-L631 VanDerWaalsContact O-N 3.17Å; A628-L631 PolarHBondContact O-N 2.86Å; M629-L631 VanDerWaalsContact C-N 3.28Å; M629-L631 PolarHBondContact O-N 3.06Å; L631-Y636 HydrophobicContact CD2-CD1 4.45Å; L631-Y636 HydrophobicContact CD2-CD2 4.25Å; L631-Y636 HydrophobicContact CD2-CE2 4.29Å; L631-Y636 HydrophobicContact CD2-CG 4.31Å; L631-V641 HydrophobicContact CB-CG1 4.14Å; L631-V641 HydrophobicContact CD2-CG1 4.14Å; L631-V641 HydrophobicContact CG-CG1 4.49Å; L631-F644 HydrophobicContact CD1-CD1 4.16Å; L631-F644 HydrophobicContact CD1-CE1 4.27Å; L631-A645 HydrophobicContact CB-CB 3.64Å; L631-A645 HydrophobicContact CD1-CB 4.3Å |
| 632 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -2.2 | 174.6 | -61.9 | 178.8 | 0 | 0 | 0 | 113.5 | M629 E630 R642 A645 V646 L649 L665 V668 L679 | M629-L632 WeakPolarHBondContact O-CB 3.48Å; M629-L632 PolarHBondContact O-N 3.18Å; E630-L632 PolarHBondContact O-N 3.04Å; L632-R642 VanDerWaalsContact C-NH1 3.28Å; L632-R642 HydrophobicContact CD2-CB 4.15Å; L632-R642 HydrophobicContact CD2-CG 4.35Å; L632-R642 PolarHBondContact O-NH1 3.12Å; L632-A645 HydrophobicContact CD2-CB 3.83Å; L632-A645 HydrophobicContact CG-CB 4.08Å; L632-V646 HydrophobicContact CD2-CG2 4.02Å; L632-L649 HydrophobicContact CD1-CD1 3.51Å; L632-L665 HydrophobicContact CD1-CD2 4.01Å; L632-V668 HydrophobicContact CB-CG2 4.11Å; L632-L679 HydrophobicContact CD1-CD1 4.21Å; L632-L679 HydrophobicContact CD1-CD2 4.28Å |
| 633 | D | 93.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -72.4 | 178.1 | 175.5 | 81 | 31.9 | 0 | 0 | 0 | 112.5 | E630 R635 Y636 T1028 M1029 | E630-D633 PolarHBondContact O-N 3.35Å; D633-R635 PolarHBondContact O-N 3.13Å; D633-R635 WeakPolarHBondContact OD1-CA 3.06Å; D633-R635 WeakPolarHBondContact OD1-CB 3.35Å; D633-R635 WeakPolarHBondContact OD1-CG 3.4Å; D633-R635 PolarHBondContact OD1-N 3.35Å; D633-R635 IonicContact OD1-NE 2.93Å; D633-R635 PolarHBondContact OD1-NE 3.17Å; D633-R635 IonicContact OD2-CZ 3.7Å; D633-R635 VanDerWaalsContact OD2-CZ 3.31Å; D633-R635 IonicContact OD2-NE 3.89Å; D633-R635 PolarHBondContact OD2-NE 3.04Å; D633-R635 IonicContact OD2-NH2 3.68Å; D633-R635 PolarHBondContact OD2-NH2 2.7Å; D633-Y636 PolarHBondContact O-N 2.63Å; D633-T1028 HydrophobicContact CB-CG2 3.99Å; D633-M1029 HydrophobicContact CB-CG 3.95Å |
| 634 | V | 91.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 18 Ų | 18 | 7% | 0.073 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17 | -174.5 | 70.9 | 0 | 0 | 0 | 0 | 114.8 | G368 L462 Y671 L1031 | G368-V634 WeakPolarHBondContact CA-O 3.47Å; L462-V634 HydrophobicContact CD2-CB 4.41Å; L462-V634 HydrophobicContact CD2-CG1 4.03Å; L462-V634 HydrophobicContact CD2-CG2 3.53Å; V634-Y671 HydrophobicContact CB-CD1 4.4Å; V634-Y671 HydrophobicContact CB-CD2 4.49Å; V634-Y671 HydrophobicContact CB-CE1 3.87Å; V634-Y671 HydrophobicContact CB-CE2 3.99Å; V634-Y671 HydrophobicContact CG2-CD1 4.13Å; V634-Y671 HydrophobicContact CG2-CE1 3.63Å; V634-L1031 HydrophobicContact CG1-CD1 4.25Å |
| 635 | R | 93.1 | Very high | 95.6 | Very high | 31 Ų | 31 | 15.2 Ų | 15.2 | 12% | 0.117 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -21.8 | -178.2 | -56 | 176.2 | -66.1 | 151.6 | -1.4 | 112.4 | P369 P569 E630 D633 P637 | P369-R635 HydrophobicContact CG-CG 4.3Å; P569-R635 PolarHBondContact O-NH1 3.25Å; E630-R635 IonicContact OE1-CZ 3.39Å; E630-R635 IonicContact OE1-NH2 2.69Å; E630-R635 PolarHBondContact OE1-NH2 3.49Å; D633-R635 PolarHBondContact O-N 3.13Å; D633-R635 WeakPolarHBondContact OD1-CA 3.06Å; D633-R635 WeakPolarHBondContact OD1-CB 3.35Å; D633-R635 WeakPolarHBondContact OD1-CG 3.4Å; D633-R635 PolarHBondContact OD1-N 3.35Å; D633-R635 IonicContact OD1-NE 2.93Å; D633-R635 PolarHBondContact OD1-NE 3.17Å; D633-R635 IonicContact OD2-CZ 3.7Å; D633-R635 VanDerWaalsContact OD2-CZ 3.31Å; D633-R635 IonicContact OD2-NE 3.89Å; D633-R635 PolarHBondContact OD2-NE 3.04Å; D633-R635 IonicContact OD2-NH2 3.68Å; D633-R635 PolarHBondContact OD2-NH2 2.7Å; R635-P637 WeakPolarHBondContact O-CD 3.46Å |
| 636 | Y | 94.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 14.4 Ų | 14.4 | 2% | 0.02 | 7% | 0.069 | C | C | . | . | trans | -115.1 | 69.3 | -177 | -52.2 | -70.3 | 0 | 0 | 0 | 111.6 | L599 D600 E630 L631 D633 D638 R642 | L599-Y636 HydrophobicContact CB-CD1 3.95Å; L599-Y636 HydrophobicContact CB-CE1 3.6Å; L599-Y636 HydrophobicContact CD1-CD1 3.85Å; L599-Y636 HydrophobicContact CD1-CE1 4.01Å; L599-Y636 HydrophobicContact CG-CE1 4.49Å; D600-Y636 PolarHBondContact OD1-OH 2.96Å; E630-Y636 HydrophobicContact CG-CE2 4.13Å; E630-Y636 VanDerWaalsContact O-CD2 3.22Å; E630-Y636 WeakPolarHBondContact O-CD2 3.43Å; L631-Y636 HydrophobicContact CD2-CD1 4.45Å; L631-Y636 HydrophobicContact CD2-CD2 4.25Å; L631-Y636 HydrophobicContact CD2-CE2 4.29Å; L631-Y636 HydrophobicContact CD2-CG 4.31Å; D633-Y636 PolarHBondContact O-N 2.63Å; Y636-D638 PolarHBondContact O-N 3.44Å; Y636-R642 WeakPolarHBondContact O-CG 3.21Å | ||
| 637 | P | 94.1 | Very high | 95.9 | Very high | 24 Ų | 24 | 18.2 Ų | 18.2 | 16% | 0.156 | 9% | 0.087 | C | C | . | . | trans | -77.3 | -4.4 | -179.6 | 35.8 | -40.9 | 0 | 0 | 0 | 113.6 | F367 R635 N639 | F367-P637 HydrophobicContact CD1-CG 4.22Å; F367-P637 HydrophobicContact CD2-CG 3.82Å; F367-P637 HydrophobicContact CE1-CG 3.99Å; F367-P637 HydrophobicContact CE2-CG 3.62Å; F367-P637 HydrophobicContact CG-CG 4.14Å; F367-P637 HydrophobicContact CZ-CG 3.7Å; R635-P637 WeakPolarHBondContact O-CD 3.46Å; P637-N639 PolarHBondContact O-N 3.15Å | ||
| 638 | D | 95 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -69.5 | 126.5 | -178 | -179.9 | -88.4 | 0 | 0 | 0 | 112.4 | F367 W604 Y614 Y636 F640 V641 R642 | F367-D638 HydrophobicContact CE2-CB 4.46Å; F367-D638 HydrophobicContact CZ-CB 4.18Å; W604-D638 HydrophobicContact CH2-CB 3.7Å; W604-D638 HydrophobicContact CZ3-CB 3.78Å; Y614-D638 WeakPolarHBondContact CE1-OD2 3.22Å; Y614-D638 PolarHBondContact OH-OD2 3.14Å; Y636-D638 PolarHBondContact O-N 3.44Å; D638-F640 VanDerWaalsContact C-N 3.31Å; D638-F640 PolarHBondContact O-N 3.34Å; D638-F640 WeakPolarHBondContact OD1-CA 3.16Å; D638-F640 WeakPolarHBondContact OD1-CB 3.45Å; D638-F640 PolarHBondContact OD1-N 3.39Å; D638-V641 HydrophobicContact CB-CB 4.2Å; D638-V641 HydrophobicContact CB-CG2 3.97Å; D638-V641 PolarHBondContact O-N 2.73Å; D638-V641 PolarHBondContact OD1-N 3.07Å; D638-R642 WeakPolarHBondContact O-CG 3.34Å; D638-R642 PolarHBondContact O-N 3.46Å | ||
| 639 | N | 93.2 | Very high | 95.9 | Very high | 33 Ų | 33 | 18.5 Ų | 18.5 | 18% | 0.176 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.8 | -30.7 | -173.8 | -61.5 | -11.7 | 0 | 0 | 0 | 113.7 | L402 P637 H643 P673 F674 | L402-N639 HydrophobicContact CD2-CB 3.92Å; P637-N639 PolarHBondContact O-N 3.15Å; N639-H643 WeakPolarHBondContact O-CB 3.43Å; N639-H643 PolarHBondContact O-N 2.82Å; N639-P673 VanDerWaalsContact OD1-CG 3.27Å; N639-P673 WeakPolarHBondContact OD1-CG 3.4Å; N639-F674 WeakPolarHBondContact ND2-CE2 3.33Å |
| 640 | F | 94.5 | Very high | 95.9 | Very high | 68 Ų | 68 | 22.9 Ų | 22.9 | 30% | 0.298 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -72.4 | -40.3 | 177.1 | -68.9 | -79.8 | 0 | 0 | 0 | 111 | L402 F491 R497 Y614 L617 D638 H643 F644 | L402-F640 HydrophobicContact CD2-CD2 3.85Å; L402-F640 HydrophobicContact CD2-CE2 3.64Å; F491-F640 HydrophobicContact CE1-CE2 4.26Å; R497-F640 VanDerWaalsContact CZ-CZ 3.43Å; R497-F640 VanDerWaalsContact NH2-CZ 3.25Å; Y614-F640 HydrophobicContact CD1-CB 4.11Å; Y614-F640 HydrophobicContact CD1-CD2 4.02Å; Y614-F640 HydrophobicContact CD1-CG 4.2Å; Y614-F640 HydrophobicContact CD2-CD2 4.33Å; Y614-F640 HydrophobicContact CD2-CE2 4.43Å; Y614-F640 HydrophobicContact CE1-CB 4.03Å; Y614-F640 AromaticContact CE1-CD2 3.6Å; Y614-F640 HydrophobicContact CE1-CD2 3.6Å; Y614-F640 HydrophobicContact CE1-CE2 4.49Å; Y614-F640 HydrophobicContact CE1-CG 4.12Å; Y614-F640 AromaticContact CE2-CD2 3.93Å; Y614-F640 HydrophobicContact CE2-CD2 3.93Å; Y614-F640 HydrophobicContact CE2-CE2 4.02Å; Y614-F640 HydrophobicContact CG-CD2 4.36Å; Y614-F640 AromaticContact CZ-CD2 3.54Å; L617-F640 HydrophobicContact CD1-CB 4.45Å; D638-F640 VanDerWaalsContact C-N 3.31Å; D638-F640 PolarHBondContact O-N 3.34Å; D638-F640 WeakPolarHBondContact OD1-CA 3.16Å; D638-F640 WeakPolarHBondContact OD1-CB 3.45Å; D638-F640 PolarHBondContact OD1-N 3.39Å; F640-H643 PolarHBondContact O-N 2.68Å; F640-F644 WeakPolarHBondContact O-CB 3.2Å; F640-F644 PolarHBondContact O-N 3.48Å |
| 641 | V | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61 | -50 | 173.8 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | L599 W604 L617 L631 D638 H643 F644 A645 | L599-V641 HydrophobicContact CD1-CG1 3.63Å; L599-V641 HydrophobicContact CD1-CG2 4.14Å; L599-V641 HydrophobicContact CD2-CG2 3.67Å; W604-V641 HydrophobicContact CH2-CG2 4.16Å; L617-V641 HydrophobicContact CD1-CG2 3.82Å; L631-V641 HydrophobicContact CB-CG1 4.14Å; L631-V641 HydrophobicContact CD2-CG1 4.14Å; L631-V641 HydrophobicContact CG-CG1 4.49Å; D638-V641 HydrophobicContact CB-CB 4.2Å; D638-V641 HydrophobicContact CB-CG2 3.97Å; D638-V641 PolarHBondContact O-N 2.73Å; D638-V641 PolarHBondContact OD1-N 3.07Å; V641-H643 PolarHBondContact O-N 3.1Å; V641-F644 WeakPolarHBondContact O-CB 3.38Å; V641-F644 PolarHBondContact O-N 3.41Å; V641-A645 WeakPolarHBondContact O-CB 3.38Å; V641-A645 PolarHBondContact O-N 3.38Å |
| 642 | R | 96.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 178.9 | -64.9 | -175.4 | 72.5 | 80.3 | 1.6 | 112.1 | L632 Y636 D638 F644 A645 V646 V668 E672 | L632-R642 VanDerWaalsContact C-NH1 3.28Å; L632-R642 HydrophobicContact CD2-CB 4.15Å; L632-R642 HydrophobicContact CD2-CG 4.35Å; L632-R642 PolarHBondContact O-NH1 3.12Å; Y636-R642 WeakPolarHBondContact O-CG 3.21Å; D638-R642 WeakPolarHBondContact O-CG 3.34Å; D638-R642 PolarHBondContact O-N 3.46Å; R642-F644 PolarHBondContact O-N 3.35Å; R642-A645 WeakPolarHBondContact O-CB 3.48Å; R642-A645 PolarHBondContact O-N 3.39Å; R642-V646 WeakPolarHBondContact O-CG2 3.43Å; R642-V646 PolarHBondContact O-N 3.21Å; R642-V668 PolarHBondContact NH2-O 2.93Å; R642-E672 IonicContact CZ-OE1 2.81Å; R642-E672 IonicContact NE-OE1 2.79Å; R642-E672 PolarHBondContact NE-OE1 2.88Å; R642-E672 IonicContact NH2-OE1 3.15Å; R642-E672 PolarHBondContact NH2-OE1 2.68Å |
| 643 | H | 95.7 | Very high | 95.7 | Very high | 71 Ų | 71 | 33.7 Ų | 33.7 | 33% | 0.329 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.2 | -48.4 | 175.2 | -177.6 | 84.4 | 0 | 0 | 0 | 111.7 | N639 F640 V641 A645 V646 Q647 E678 | N639-H643 WeakPolarHBondContact O-CB 3.43Å; N639-H643 PolarHBondContact O-N 2.82Å; F640-H643 PolarHBondContact O-N 2.68Å; V641-H643 PolarHBondContact O-N 3.1Å; H643-A645 VanDerWaalsContact C-N 3.33Å; H643-A645 PolarHBondContact O-N 3.45Å; H643-V646 PolarHBondContact O-N 3.3Å; H643-Q647 VanDerWaalsContact NE2-CD 3.33Å; H643-Q647 PolarHBondContact NE2-NE2 3.14Å; H643-Q647 WeakPolarHBondContact O-CG 3.3Å; H643-Q647 PolarHBondContact O-N 3.09Å; H643-E678 WeakPolarHBondContact ND1-CG 3.44Å |
| 644 | F | 97.5 | Very high | 95.7 | Very high | 16 Ų | 16 | 36 Ų | 36 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 175.8 | 170.2 | -92 | 0 | 0 | 0 | 111.9 | L595 W620 P621 V623 L631 F640 V641 R642 Q647 C648 | L595-F644 HydrophobicContact CD2-CD1 3.81Å; L595-F644 HydrophobicContact CD2-CE1 3.45Å; L595-F644 VanDerWaalsContact CD2-CE1 3.45Å; L595-F644 HydrophobicContact CD2-CZ 4.22Å; W620-F644 HydrophobicContact CB-CE2 3.98Å; W620-F644 HydrophobicContact CB-CZ 4.2Å; W620-F644 AromaticContact CD1-CZ 3.64Å; W620-F644 HydrophobicContact CG-CZ 4.26Å; P621-F644 WeakPolarHBondContact O-CZ 3.13Å; V623-F644 HydrophobicContact CG1-CE1 4.14Å; V623-F644 HydrophobicContact CG1-CZ 4.18Å; V623-F644 HydrophobicContact CG2-CE1 3.99Å; V623-F644 HydrophobicContact CG2-CZ 4.46Å; L631-F644 HydrophobicContact CD1-CD1 4.16Å; L631-F644 HydrophobicContact CD1-CE1 4.27Å; F640-F644 WeakPolarHBondContact O-CB 3.2Å; F640-F644 PolarHBondContact O-N 3.48Å; V641-F644 WeakPolarHBondContact O-CB 3.38Å; V641-F644 PolarHBondContact O-N 3.41Å; R642-F644 PolarHBondContact O-N 3.35Å; F644-Q647 PolarHBondContact O-N 2.93Å; F644-C648 WeakPolarHBondContact CZ-SG 3.44Å; F644-C648 PolarHBondContact O-N 3.41Å; F644-C648 PolarHBondContact O-SG 3.33Å |
| 645 | A | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.6 | -48 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | A628 L631 L632 V641 R642 H643 Q647 C648 L649 | A628-A645 WeakPolarHBondContact O-CB 3.28Å; L631-A645 HydrophobicContact CB-CB 3.64Å; L631-A645 HydrophobicContact CD1-CB 4.3Å; L632-A645 HydrophobicContact CD2-CB 3.83Å; L632-A645 HydrophobicContact CG-CB 4.08Å; V641-A645 WeakPolarHBondContact O-CB 3.38Å; V641-A645 PolarHBondContact O-N 3.38Å; R642-A645 WeakPolarHBondContact O-CB 3.48Å; R642-A645 PolarHBondContact O-N 3.39Å; H643-A645 VanDerWaalsContact C-N 3.33Å; H643-A645 PolarHBondContact O-N 3.45Å; A645-Q647 VanDerWaalsContact C-N 3.34Å; A645-Q647 PolarHBondContact O-N 3.21Å; A645-C648 WeakPolarHBondContact O-CB 3.43Å; A645-C648 PolarHBondContact O-N 3.49Å; A645-C648 VanDerWaalsContact O-N 3.15Å; A645-L649 WeakPolarHBondContact O-CG 3.39Å; A645-L649 PolarHBondContact O-N 3.43Å |
| 646 | V | 98 | Very high | 95.5 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 177.2 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | L632 R642 H643 C648 L649 N650 E678 L679 V682 | L632-V646 HydrophobicContact CD2-CG2 4.02Å; R642-V646 WeakPolarHBondContact O-CG2 3.43Å; R642-V646 PolarHBondContact O-N 3.21Å; H643-V646 PolarHBondContact O-N 3.3Å; V646-C648 VanDerWaalsContact C-N 3.3Å; V646-C648 PolarHBondContact O-N 3.19Å; V646-L649 PolarHBondContact O-N 3.02Å; V646-N650 WeakPolarHBondContact O-CB 3.32Å; V646-N650 PolarHBondContact O-N 2.7Å; V646-E678 HydrophobicContact CB-CB 4.37Å; V646-E678 HydrophobicContact CG1-CB 3.99Å; V646-L679 HydrophobicContact CG2-CB 3.72Å; V646-L679 HydrophobicContact CG2-CD1 4.21Å; V646-V682 HydrophobicContact CG1-CB 4.22Å; V646-V682 HydrophobicContact CG1-CG2 3.65Å |
| 647 | Q | 97.3 | Very high | 95.4 | Very high | 108 Ų | 108 | 43.7 Ų | 43.7 | 51% | 0.505 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.2 | -40 | 174.8 | -74.9 | -176.4 | -29.8 | 0 | 0 | 112 | H643 F644 A645 K651 | H643-Q647 VanDerWaalsContact NE2-CD 3.33Å; H643-Q647 PolarHBondContact NE2-NE2 3.14Å; H643-Q647 WeakPolarHBondContact O-CG 3.3Å; H643-Q647 PolarHBondContact O-N 3.09Å; F644-Q647 PolarHBondContact O-N 2.93Å; A645-Q647 VanDerWaalsContact C-N 3.34Å; A645-Q647 PolarHBondContact O-N 3.21Å; Q647-K651 WeakPolarHBondContact O-CB 3.4Å; Q647-K651 PolarHBondContact O-N 3.47Å |
| 648 | C | 97.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -51.1 | 174.5 | -66.3 | 0 | 0 | 0 | 0 | 110.8 | T622 V623 A628 F644 A645 V646 N650 K651 T652 | T622-C648 HydrophobicContact CG2-CB 4.18Å; V623-C648 HydrophobicContact CG2-CB 4.01Å; A628-C648 HydrophobicContact CB-CB 3.91Å; F644-C648 WeakPolarHBondContact CZ-SG 3.44Å; F644-C648 PolarHBondContact O-N 3.41Å; F644-C648 PolarHBondContact O-SG 3.33Å; A645-C648 WeakPolarHBondContact O-CB 3.43Å; A645-C648 PolarHBondContact O-N 3.49Å; A645-C648 VanDerWaalsContact O-N 3.15Å; V646-C648 VanDerWaalsContact C-N 3.3Å; V646-C648 PolarHBondContact O-N 3.19Å; C648-N650 PolarHBondContact O-N 3.33Å; C648-K651 PolarHBondContact O-N 2.89Å; C648-T652 PolarHBondContact O-N 2.94Å; C648-T652 PolarHBondContact O-OG1 3.45Å |
| 649 | L | 97.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.5 | -45.5 | 178 | -68 | 175.9 | 0 | 0 | 0 | 112.4 | P625 A628 M629 L632 A645 V646 K651 T652 L653 L665 | P625-L649 HydrophobicContact CB-CD2 4.1Å; P625-L649 WeakPolarHBondContact O-CD2 3.32Å; A628-L649 HydrophobicContact CB-CD2 3.69Å; A628-L649 HydrophobicContact CB-CG 3.73Å; M629-L649 HydrophobicContact CG-CD1 4.34Å; M629-L649 HydrophobicContact CG-CD2 3.92Å; L632-L649 HydrophobicContact CD1-CD1 3.51Å; A645-L649 WeakPolarHBondContact O-CG 3.39Å; A645-L649 PolarHBondContact O-N 3.43Å; V646-L649 PolarHBondContact O-N 3.02Å; L649-K651 PolarHBondContact O-N 3.14Å; L649-K651 VanDerWaalsContact O-N 3.15Å; L649-T652 PolarHBondContact O-N 3.37Å; L649-L653 HydrophobicContact CD2-CB 4.47Å; L649-L653 HydrophobicContact CD2-CD2 4.44Å; L649-L653 WeakPolarHBondContact O-CB 3.32Å; L649-L653 PolarHBondContact O-N 2.98Å; L649-L665 HydrophobicContact CD1-CD2 3.85Å |
| 650 | N | 96.5 | Very high | 95.4 | Very high | 92 Ų | 92 | 45.4 Ų | 45.4 | 49% | 0.492 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.3 | -25.7 | 179.3 | -170.2 | 43.5 | 0 | 0 | 0 | 112.7 | V646 C648 V682 | V646-N650 WeakPolarHBondContact O-CB 3.32Å; V646-N650 PolarHBondContact O-N 2.7Å; C648-N650 PolarHBondContact O-N 3.33Å; N650-V682 HydrophobicContact CB-CG1 4.15Å; N650-V682 HydrophobicContact CB-CG2 4.15Å |
| 651 | K | 96.1 | Very high | 95.6 | Very high | 160 Ų | 160 | 43.5 Ų | 43.5 | 70% | 0.696 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -90.8 | -34.4 | 178.9 | -169.8 | 178.8 | 176.2 | -172.2 | 0 | 113.3 | T622 Q647 C648 L649 | T622-K651 HydrophobicContact CG2-CD 4.33Å; T622-K651 PolarHBondContact OG1-NZ 3.43Å; Q647-K651 WeakPolarHBondContact O-CB 3.4Å; Q647-K651 PolarHBondContact O-N 3.47Å; C648-K651 PolarHBondContact O-N 2.89Å; L649-K651 PolarHBondContact O-N 3.14Å; L649-K651 VanDerWaalsContact O-N 3.15Å |
| 652 | T | 96 | Very high | 95.6 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -111.9 | -21.8 | -168.2 | 60.5 | 0 | 0 | 0 | 0 | 114.8 | T622 P625 C648 L649 S654 | T622-T652 HydrophobicContact CG2-CG2 3.61Å; P625-T652 WeakPolarHBondContact CG-OG1 3.29Å; C648-T652 PolarHBondContact O-N 2.94Å; C648-T652 PolarHBondContact O-OG1 3.45Å; L649-T652 PolarHBondContact O-N 3.37Å; T652-S654 PolarHBondContact O-N 3.27Å |
| 653 | L | 94.8 | Very high | 95.6 | Very high | 15 Ų | 15 | 43.7 Ų | 43.7 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | trans | -85.2 | 112.7 | -177.2 | -168 | 74.1 | 0 | 0 | 0 | 111.2 | P625 L649 Q657 L658 Y661 L665 R686 | P625-L653 HydrophobicContact CB-CD1 3.85Å; P625-L653 HydrophobicContact CG-CD1 4.35Å; L649-L653 HydrophobicContact CD2-CB 4.47Å; L649-L653 HydrophobicContact CD2-CD2 4.44Å; L649-L653 WeakPolarHBondContact O-CB 3.32Å; L649-L653 PolarHBondContact O-N 2.98Å; L653-Q657 HydrophobicContact CD1-CB 3.52Å; L653-Q657 HydrophobicContact CG-CB 4.15Å; L653-L658 HydrophobicContact CD2-CB 3.86Å; L653-L658 HydrophobicContact CD2-CD1 3.89Å; L653-L658 HydrophobicContact CD2-CG 4.41Å; L653-L658 HydrophobicContact CG-CB 4.22Å; L653-Y661 HydrophobicContact CD1-CD2 4.16Å; L653-L665 HydrophobicContact CD2-CD1 3.94Å; L653-R686 PolarHBondContact O-NH2 2.89Å | ||
| 654 | S | 93.4 | Very high | 95.7 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 35% | 0.35 | 21% | 0.209 | S | C | . | . | trans | -65.4 | 164.3 | 174.6 | 63 | 0 | 0 | 0 | 0 | 112.6 | T652 D656 Q657 L658 | T652-S654 PolarHBondContact O-N 3.27Å; S654-D656 VanDerWaalsContact C-N 3.3Å; S654-D656 PolarHBondContact O-N 3.09Å; S654-Q657 PolarHBondContact O-N 2.96Å; S654-Q657 WeakPolarHBondContact OG-CB 3.49Å; S654-Q657 VanDerWaalsContact OG-CG 3.24Å; S654-Q657 WeakPolarHBondContact OG-CG 3.34Å; S654-Q657 PolarHBondContact OG-N 3.43Å; S654-Q657 PolarHBondContact OG-OE1 3.3Å; S654-L658 VanDerWaalsContact O-CB 3.31Å; S654-L658 WeakPolarHBondContact O-CB 3.44Å; S654-L658 PolarHBondContact O-N 3.4Å | ||
| 655 | D | 91.8 | Very high | 95.7 | Very high | 31 Ų | 31 | 39.7 Ų | 39.7 | 17% | 0.166 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 175.9 | -83.1 | -53.2 | 0 | 0 | 0 | 111.8 | L658 A659 R686 I693 | D655-L658 PolarHBondContact O-N 3.17Å; D655-A659 PolarHBondContact O-N 3.1Å; D655-R686 VanDerWaalsContact N-NH2 3.17Å; D655-R686 IonicContact OD1-CZ 3.69Å; D655-R686 IonicContact OD1-NE 3.51Å; D655-R686 IonicContact OD1-NH1 3.42Å; D655-R686 PolarHBondContact OD1-NH1 3.45Å; D655-R686 IonicContact OD1-NH2 3.95Å; D655-R686 PolarHBondContact OD1-NH2 2.94Å; D655-R686 IonicContact OD2-CZ 2.73Å; D655-R686 IonicContact OD2-NH1 3.34Å; D655-R686 PolarHBondContact OD2-NH1 3.25Å; D655-R686 IonicContact OD2-NH2 2.66Å; D655-R686 PolarHBondContact OD2-NH2 3.45Å; D655-I693 HydrophobicContact CB-CD1 4.05Å; D655-I693 WeakPolarHBondContact OD1-CD1 3.37Å |
| 656 | D | 89 | Confident | 95.7 | Very high | 101 Ų | 101 | 39.7 Ų | 39.7 | 54% | 0.54 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.6 | -42.9 | 179.6 | -58.9 | -29.8 | 0 | 0 | 0 | 111.5 | S654 A659 M660 | S654-D656 VanDerWaalsContact C-N 3.3Å; S654-D656 PolarHBondContact O-N 3.09Å; D656-A659 PolarHBondContact O-N 2.95Å; D656-M660 PolarHBondContact O-N 3Å; D656-M660 VanDerWaalsContact O-N 3.1Å |
| 657 | Q | 93.3 | Very high | 95.5 | Very high | 76 Ų | 76 | 39.5 Ų | 39.5 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.6 | -38.3 | 173 | -70.4 | 171.7 | -51.6 | 0 | 0 | 111.6 | L653 S654 A659 M660 Y661 | L653-Q657 HydrophobicContact CD1-CB 3.52Å; L653-Q657 HydrophobicContact CG-CB 4.15Å; S654-Q657 PolarHBondContact O-N 2.96Å; S654-Q657 WeakPolarHBondContact OG-CB 3.49Å; S654-Q657 VanDerWaalsContact OG-CG 3.24Å; S654-Q657 WeakPolarHBondContact OG-CG 3.34Å; S654-Q657 PolarHBondContact OG-N 3.43Å; S654-Q657 PolarHBondContact OG-OE1 3.3Å; Q657-A659 VanDerWaalsContact C-N 3.34Å; Q657-A659 PolarHBondContact O-N 3.03Å; Q657-M660 WeakPolarHBondContact O-CB 3.3Å; Q657-M660 PolarHBondContact O-N 2.82Å; Q657-M660 VanDerWaalsContact O-N 3.16Å; Q657-Y661 HydrophobicContact CB-CD2 4.28Å; Q657-Y661 HydrophobicContact CB-CE2 4.27Å; Q657-Y661 WeakPolarHBondContact O-CD2 3.35Å; Q657-Y661 PolarHBondContact O-N 2.89Å |
| 658 | L | 96 | Very high | 95.5 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 175 | 176.6 | 54 | 0 | 0 | 0 | 110.6 | L653 S654 D655 M660 Y661 L662 L665 L683 R686 I693 | L653-L658 HydrophobicContact CD2-CB 3.86Å; L653-L658 HydrophobicContact CD2-CD1 3.89Å; L653-L658 HydrophobicContact CD2-CG 4.41Å; L653-L658 HydrophobicContact CG-CB 4.22Å; S654-L658 VanDerWaalsContact O-CB 3.31Å; S654-L658 WeakPolarHBondContact O-CB 3.44Å; S654-L658 PolarHBondContact O-N 3.4Å; D655-L658 PolarHBondContact O-N 3.17Å; L658-M660 VanDerWaalsContact C-N 3.28Å; L658-M660 PolarHBondContact O-N 3.24Å; L658-Y661 CarbonylContact O-C 3.59Å; L658-Y661 PolarHBondContact O-N 3.47Å; L658-Y661 VanDerWaalsContact O-N 3.15Å; L658-L662 HydrophobicContact CD1-CD1 3.94Å; L658-L662 VanDerWaalsContact O-CA 3.31Å; L658-L662 WeakPolarHBondContact O-CA 3.38Å; L658-L662 VanDerWaalsContact O-CB 3.24Å; L658-L662 WeakPolarHBondContact O-CB 3.44Å; L658-L662 PolarHBondContact O-N 3.28Å; L658-L665 HydrophobicContact CD1-CD1 3.46Å; L658-L665 VanDerWaalsContact CD1-CD1 3.46Å; L658-L683 HydrophobicContact CD1-CD2 3.89Å; L658-R686 HydrophobicContact CD2-CB 3.58Å; L658-R686 HydrophobicContact CD2-CG 3.87Å; L658-I693 HydrophobicContact CB-CD1 4.23Å; L658-I693 HydrophobicContact CD2-CD1 3.86Å; L658-I693 HydrophobicContact CD2-CG2 4.23Å; L658-I693 HydrophobicContact CG-CD1 4.01Å; L658-I693 HydrophobicContact CG-CG2 4.37Å |
| 659 | A | 93.2 | Very high | 95.3 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 27% | 0.273 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.8 | -39.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D655 D656 Q657 I693 | D655-A659 PolarHBondContact O-N 3.1Å; D656-A659 PolarHBondContact O-N 2.95Å; Q657-A659 VanDerWaalsContact C-N 3.34Å; Q657-A659 PolarHBondContact O-N 3.03Å; A659-I693 HydrophobicContact CB-CG1 4.42Å |
| 660 | M | 93.9 | Very high | 95.1 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 27% | 0.271 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.2 | -34.5 | 175.3 | -167.8 | 76.3 | 75.8 | 0 | 0 | 113.3 | D656 Q657 L658 Q839 K842 I843 | D656-M660 PolarHBondContact O-N 3Å; D656-M660 VanDerWaalsContact O-N 3.1Å; Q657-M660 WeakPolarHBondContact O-CB 3.3Å; Q657-M660 PolarHBondContact O-N 2.82Å; Q657-M660 VanDerWaalsContact O-N 3.16Å; L658-M660 VanDerWaalsContact C-N 3.28Å; L658-M660 PolarHBondContact O-N 3.24Å; M660-Q839 PolarHBondContact O-NE2 3.34Å; M660-Q839 PolarHBondContact SD-NE2 3.04Å; M660-K842 HydrophobicContact SD-CB 3.92Å; M660-I843 HydrophobicContact CG-CG1 3.9Å; M660-I843 HydrophobicContact SD-CG1 4.09Å |
| 661 | Y | 97.3 | Very high | 94.8 | Very high | 28 Ų | 28 | 31.1 Ų | 31.1 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -106.9 | 2.6 | -175.4 | -58.8 | -61.9 | 0 | 0 | 0 | 114.2 | M626 M629 L653 Q657 L658 M663 Y664 L665 I843 L1026 | M626-Y661 HydrophobicContact SD-CE1 4.46Å; M629-Y661 HydrophobicContact CE-CD1 4Å; M629-Y661 HydrophobicContact CE-CD2 3.97Å; M629-Y661 HydrophobicContact CE-CE1 4.19Å; M629-Y661 HydrophobicContact CE-CE2 4.17Å; M629-Y661 HydrophobicContact CE-CG 3.9Å; M629-Y661 HydrophobicContact SD-CD1 4.26Å; M629-Y661 HydrophobicContact SD-CD2 4.24Å; M629-Y661 HydrophobicContact SD-CG 3.85Å; L653-Y661 HydrophobicContact CD1-CD2 4.16Å; Q657-Y661 HydrophobicContact CB-CD2 4.28Å; Q657-Y661 HydrophobicContact CB-CE2 4.27Å; Q657-Y661 WeakPolarHBondContact O-CD2 3.35Å; Q657-Y661 PolarHBondContact O-N 2.89Å; L658-Y661 CarbonylContact O-C 3.59Å; L658-Y661 PolarHBondContact O-N 3.47Å; L658-Y661 VanDerWaalsContact O-N 3.15Å; Y661-M663 VanDerWaalsContact C-N 3.31Å; Y661-M663 PolarHBondContact O-N 2.94Å; Y661-Y664 HydrophobicContact CD1-CD2 4.32Å; Y661-Y664 WeakPolarHBondContact O-CB 3.31Å; Y661-Y664 PolarHBondContact O-N 3.33Å; Y661-L665 PolarHBondContact O-N 3.49Å; Y661-L665 VanDerWaalsContact O-N 3.14Å; Y661-I843 HydrophobicContact CD1-CD1 4.15Å; Y661-I843 HydrophobicContact CE1-CD1 3.77Å; Y661-I843 HydrophobicContact CE1-CG1 4.16Å; Y661-L1026 HydrophobicContact CD1-CD2 3.94Å; Y661-L1026 HydrophobicContact CE1-CD1 4.31Å; Y661-L1026 HydrophobicContact CE1-CD2 4.23Å |
| 662 | L | 97.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.6 | -40.7 | -170.3 | -173.1 | 60.4 | 0 | 0 | 0 | 112.6 | L658 Y664 L665 V666 L683 I693 L696 F697 L700 | L658-L662 HydrophobicContact CD1-CD1 3.94Å; L658-L662 VanDerWaalsContact O-CA 3.31Å; L658-L662 WeakPolarHBondContact O-CA 3.38Å; L658-L662 VanDerWaalsContact O-CB 3.24Å; L658-L662 WeakPolarHBondContact O-CB 3.44Å; L658-L662 PolarHBondContact O-N 3.28Å; L662-Y664 VanDerWaalsContact C-N 3.33Å; L662-Y664 PolarHBondContact O-N 3.09Å; L662-L665 PolarHBondContact O-N 3.5Å; L662-V666 HydrophobicContact CD1-CG2 4.13Å; L662-V666 HydrophobicContact CG-CG2 4.18Å; L662-V666 WeakPolarHBondContact O-CB 3.38Å; L662-V666 WeakPolarHBondContact O-CG2 3.49Å; L662-V666 PolarHBondContact O-N 3.02Å; L662-L683 HydrophobicContact CD1-CD2 4.01Å; L662-I693 HydrophobicContact CD1-CG2 4.36Å; L662-I693 HydrophobicContact CD2-CG2 4.02Å; L662-L696 HydrophobicContact CB-CD2 4.28Å; L662-L696 HydrophobicContact CD2-CB 3.9Å; L662-L696 HydrophobicContact CD2-CD2 3.93Å; L662-L696 HydrophobicContact CD2-CG 3.89Å; L662-F697 HydrophobicContact CD2-CB 4.21Å; L662-L700 HydrophobicContact CB-CD1 4.4Å; L662-L700 HydrophobicContact CD2-CD1 4.2Å; L662-L700 HydrophobicContact CG-CD1 3.97Å |
| 663 | M | 96.9 | Very high | 94 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55 | -48.7 | 176.2 | 178.2 | -170.2 | 65.5 | 0 | 0 | 111.5 | Y661 L665 V666 Q667 L700 M835 L836 Q839 M1030 M1033 | Y661-M663 VanDerWaalsContact C-N 3.31Å; Y661-M663 PolarHBondContact O-N 2.94Å; M663-L665 PolarHBondContact O-N 3.27Å; M663-V666 PolarHBondContact O-N 3.37Å; M663-Q667 VanDerWaalsContact O-CG 3.27Å; M663-Q667 WeakPolarHBondContact O-CG 3.28Å; M663-Q667 PolarHBondContact O-N 3Å; M663-L700 HydrophobicContact CB-CD1 4.28Å; M663-L700 HydrophobicContact CB-CD2 4.39Å; M663-L700 HydrophobicContact CG-CD2 4.35Å; M663-M835 HydrophobicContact CG-CE 4.02Å; M663-M835 HydrophobicContact SD-CE 3.65Å; M663-M835 HydrophobicContact SD-CG 4Å; M663-M835 HydrophobicContact SD-SD 4.26Å; M663-L836 HydrophobicContact CE-CB 4.35Å; M663-L836 HydrophobicContact CE-CD1 3.57Å; M663-Q839 HydrophobicContact CE-CB 4.04Å; M663-Q839 HydrophobicContact CE-CG 4.12Å; M663-M1030 HydrophobicContact CE-CE 3.88Å; M663-M1030 HydrophobicContact CE-SD 4.23Å; M663-M1030 HydrophobicContact CG-CE 4.05Å; M663-M1030 HydrophobicContact SD-CE 3.95Å; M663-M1033 HydrophobicContact SD-CE 4.17Å |
| 664 | Y | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | -180 | -56.6 | -87.2 | 0 | 0 | 0 | 111.2 | Y661 L662 Q667 V668 L836 Q839 V840 I843 L1026 M1030 | Y661-Y664 HydrophobicContact CD1-CD2 4.32Å; Y661-Y664 WeakPolarHBondContact O-CB 3.31Å; Y661-Y664 PolarHBondContact O-N 3.33Å; L662-Y664 VanDerWaalsContact C-N 3.33Å; L662-Y664 PolarHBondContact O-N 3.09Å; Y664-Q667 PolarHBondContact O-N 3.47Å; Y664-V668 PolarHBondContact O-N 3Å; Y664-L836 HydrophobicContact CE1-CD1 3.86Å; Y664-Q839 HydrophobicContact CE2-CG 3.92Å; Y664-V840 WeakPolarHBondContact OH-CG2 3.15Å; Y664-I843 HydrophobicContact CE2-CD1 4.01Å; Y664-L1026 HydrophobicContact CD1-CB 3.96Å; Y664-L1026 HydrophobicContact CD1-CD2 3.73Å; Y664-L1026 HydrophobicContact CD1-CG 4.4Å; Y664-L1026 WeakPolarHBondContact CD1-O 3.47Å; Y664-L1026 HydrophobicContact CD2-CD2 3.8Å; Y664-L1026 HydrophobicContact CE1-CB 3.56Å; Y664-L1026 HydrophobicContact CE1-CD2 3.9Å; Y664-L1026 HydrophobicContact CE1-CG 4.17Å; Y664-L1026 HydrophobicContact CE2-CD1 4.45Å; Y664-L1026 HydrophobicContact CE2-CD2 3.93Å; Y664-L1026 HydrophobicContact CG-CD2 3.69Å; Y664-M1030 HydrophobicContact CD1-CG 3.42Å; Y664-M1030 VanDerWaalsContact CD1-CG 3.42Å; Y664-M1030 HydrophobicContact CD1-SD 3.43Å; Y664-M1030 WeakPolarHBondContact CD1-SD 3.35Å; Y664-M1030 HydrophobicContact CE1-CG 3.53Å; Y664-M1030 HydrophobicContact CE1-SD 3.92Å; Y664-M1030 HydrophobicContact CG-SD 4.12Å |
| 665 | L | 98.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.7 | -37 | 179.1 | -66.3 | 170.9 | 0 | 0 | 0 | 112.7 | M629 L632 L649 L653 L658 Y661 L662 M663 V668 L669 L679 L683 M1029 | M629-L665 HydrophobicContact CG-CD2 4.19Å; M629-L665 HydrophobicContact SD-CD2 4.47Å; L632-L665 HydrophobicContact CD1-CD2 4.01Å; L649-L665 HydrophobicContact CD1-CD2 3.85Å; L653-L665 HydrophobicContact CD2-CD1 3.94Å; L658-L665 HydrophobicContact CD1-CD1 3.46Å; L658-L665 VanDerWaalsContact CD1-CD1 3.46Å; Y661-L665 PolarHBondContact O-N 3.49Å; Y661-L665 VanDerWaalsContact O-N 3.14Å; L662-L665 PolarHBondContact O-N 3.5Å; M663-L665 PolarHBondContact O-N 3.27Å; L665-V668 WeakPolarHBondContact O-CG2 3.24Å; L665-L669 PolarHBondContact O-N 3.07Å; L665-L679 HydrophobicContact CD2-CD1 4.29Å; L665-L683 HydrophobicContact CB-CD1 4.14Å; L665-L683 HydrophobicContact CB-CD2 4.1Å; L665-L683 HydrophobicContact CD1-CD2 4.25Å; L665-M1029 HydrophobicContact CD2-CE 4.29Å |
| 666 | V | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.6 | -38.2 | 173.4 | 170 | 0 | 0 | 0 | 0 | 111 | L662 M663 L669 F697 L700 L701 | L662-V666 HydrophobicContact CD1-CG2 4.13Å; L662-V666 HydrophobicContact CG-CG2 4.18Å; L662-V666 WeakPolarHBondContact O-CB 3.38Å; L662-V666 WeakPolarHBondContact O-CG2 3.49Å; L662-V666 PolarHBondContact O-N 3.02Å; M663-V666 PolarHBondContact O-N 3.37Å; V666-L669 VanDerWaalsContact O-CB 3.31Å; V666-L669 WeakPolarHBondContact O-CB 3.42Å; V666-L669 PolarHBondContact O-N 2.98Å; V666-F697 HydrophobicContact CG2-CD2 4.01Å; V666-F697 HydrophobicContact CG2-CE2 4.42Å; V666-L700 HydrophobicContact CB-CB 4.43Å; V666-L700 HydrophobicContact CG1-CB 4.05Å; V666-L700 HydrophobicContact CG2-CB 4.34Å; V666-L700 HydrophobicContact CG2-CD1 4.21Å; V666-L701 HydrophobicContact CG1-CD2 3.8Å; V666-L701 HydrophobicContact CG1-CG 4.38Å |
| 667 | Q | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.5 | -43.7 | 178.7 | -69.5 | -63.7 | -33.5 | 0 | 0 | 112 | M663 Y664 L669 K670 E704 M1030 C1032 | M663-Q667 VanDerWaalsContact O-CG 3.27Å; M663-Q667 WeakPolarHBondContact O-CG 3.28Å; M663-Q667 PolarHBondContact O-N 3Å; Y664-Q667 PolarHBondContact O-N 3.47Å; Q667-L669 PolarHBondContact O-N 3.01Å; Q667-L669 VanDerWaalsContact O-N 3.13Å; Q667-K670 WeakPolarHBondContact O-CB 3.12Å; Q667-K670 VanDerWaalsContact O-CG 3.25Å; Q667-K670 WeakPolarHBondContact O-CG 3.34Å; Q667-K670 PolarHBondContact O-N 3Å; Q667-E704 PolarHBondContact NE2-OE1 3.15Å; Q667-M1030 HydrophobicContact CB-SD 3.95Å; Q667-M1030 HydrophobicContact CG-CE 3.73Å; Q667-M1030 HydrophobicContact CG-SD 3.77Å; Q667-C1032 PolarHBondContact O-SG 2.87Å |
| 668 | V | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -70.2 | -6.8 | 179 | -59 | 0 | 0 | 0 | 0 | 114.2 | L632 R642 Y664 L665 K670 Y671 E672 L679 M1029 | L632-V668 HydrophobicContact CB-CG2 4.11Å; R642-V668 PolarHBondContact NH2-O 2.93Å; Y664-V668 PolarHBondContact O-N 3Å; L665-V668 WeakPolarHBondContact O-CG2 3.24Å; V668-K670 PolarHBondContact O-N 2.86Å; V668-Y671 HydrophobicContact CB-CD2 3.97Å; V668-Y671 HydrophobicContact CG1-CD2 4Å; V668-Y671 HydrophobicContact CG1-CE2 4.19Å; V668-Y671 WeakPolarHBondContact O-CB 3.41Å; V668-Y671 PolarHBondContact O-N 3.03Å; V668-E672 PolarHBondContact O-N 3.22Å; V668-L679 HydrophobicContact CG2-CD2 3.67Å; V668-M1029 HydrophobicContact CB-CE 4.43Å; V668-M1029 HydrophobicContact CG1-CB 3.6Å; V668-M1029 HydrophobicContact CG1-CE 3.6Å; V668-M1029 HydrophobicContact CG1-CG 3.85Å; V668-M1029 HydrophobicContact CG2-CE 3.96Å |
| 669 | L | 95.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -59 | -24.7 | 163.9 | -71.4 | 171 | 0 | 0 | 0 | 112 | L665 V666 Q667 Y671 E672 L679 L683 L701 L713 F714 L717 | L665-L669 PolarHBondContact O-N 3.07Å; V666-L669 VanDerWaalsContact O-CB 3.31Å; V666-L669 WeakPolarHBondContact O-CB 3.42Å; V666-L669 PolarHBondContact O-N 2.98Å; Q667-L669 PolarHBondContact O-N 3.01Å; Q667-L669 VanDerWaalsContact O-N 3.13Å; L669-Y671 PolarHBondContact O-N 2.97Å; L669-E672 HydrophobicContact CD2-CG 4.01Å; L669-E672 WeakPolarHBondContact O-CB 3.47Å; L669-E672 PolarHBondContact O-N 2.92Å; L669-L679 HydrophobicContact CD2-CB 4.1Å; L669-L679 HydrophobicContact CD2-CD2 3.85Å; L669-L679 HydrophobicContact CD2-CG 3.78Å; L669-L679 HydrophobicContact CG-CD2 4.22Å; L669-L679 HydrophobicContact CG-CG 4.49Å; L669-L683 HydrophobicContact CD1-CD1 4.01Å; L669-L683 HydrophobicContact CD2-CD1 4.29Å; L669-L683 HydrophobicContact CG-CD1 4.16Å; L669-L701 HydrophobicContact CD1-CD2 4.35Å; L669-L713 HydrophobicContact CB-CD2 4.28Å; L669-F714 HydrophobicContact CB-CE1 3.8Å; L669-F714 HydrophobicContact CB-CZ 4.48Å; L669-F714 HydrophobicContact CD1-CE1 4.19Å; L669-L717 HydrophobicContact CD1-CD1 3.79Å |
| 670 | K | 92.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 3% | 0.026 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -66 | -18.4 | 173.1 | -64.8 | 172.1 | 170.9 | 174.8 | 0 | 113.2 | Q464 Q667 V668 E704 F714 C1032 | Q464-K670 HydrophobicContact CG-CB 4.06Å; Q667-K670 WeakPolarHBondContact O-CB 3.12Å; Q667-K670 VanDerWaalsContact O-CG 3.25Å; Q667-K670 WeakPolarHBondContact O-CG 3.34Å; Q667-K670 PolarHBondContact O-N 3Å; V668-K670 PolarHBondContact O-N 2.86Å; K670-E704 WeakPolarHBondContact CE-OE2 3.44Å; K670-E704 IonicContact NZ-OE1 3.61Å; K670-E704 PolarHBondContact NZ-OE1 3.27Å; K670-E704 IonicContact NZ-OE2 3.29Å; K670-E704 PolarHBondContact NZ-OE2 3.35Å; K670-F714 HydrophobicContact CD-CZ 4.45Å; K670-F714 HydrophobicContact CG-CE2 4.21Å; K670-F714 HydrophobicContact CG-CZ 3.68Å; K670-C1032 HydrophobicContact CB-CB 4.09Å; K670-C1032 HydrophobicContact CD-CB 3.86Å; K670-C1032 WeakPolarHBondContact CD-O 3.47Å; K670-C1032 PolarHBondContact NZ-O 2.98Å |
| 671 | Y | 91.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 15 Ų | 15 | 11% | 0.11 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -96.5 | -4.4 | 172.9 | -56.4 | -47.1 | 0 | 0 | 0 | 112.5 | V634 V668 L669 C1032 | V634-Y671 HydrophobicContact CB-CD1 4.4Å; V634-Y671 HydrophobicContact CB-CD2 4.49Å; V634-Y671 HydrophobicContact CB-CE1 3.87Å; V634-Y671 HydrophobicContact CB-CE2 3.99Å; V634-Y671 HydrophobicContact CG2-CD1 4.13Å; V634-Y671 HydrophobicContact CG2-CE1 3.63Å; V668-Y671 HydrophobicContact CB-CD2 3.97Å; V668-Y671 HydrophobicContact CG1-CD2 4Å; V668-Y671 HydrophobicContact CG1-CE2 4.19Å; V668-Y671 WeakPolarHBondContact O-CB 3.41Å; V668-Y671 PolarHBondContact O-N 3.03Å; L669-Y671 PolarHBondContact O-N 2.97Å; Y671-C1032 HydrophobicContact CE1-CB 3.71Å; Y671-C1032 HydrophobicContact CE2-CB 4.12Å; Y671-C1032 VanDerWaalsContact CZ-CB 3.46Å; Y671-C1032 WeakPolarHBondContact OH-CB 3.32Å; Y671-C1032 PolarHBondContact OH-N 2.69Å; Y671-C1032 VanDerWaalsContact OH-N 3.1Å |
| 672 | E | 89.9 | Confident | 94.5 | Very high | 20 Ų | 20 | 14.8 Ų | 14.8 | 9% | 0.093 | 7% | 0.074 | C | C | . | . | trans | -61.5 | 134.8 | 172.8 | -76.4 | -62.6 | 124.7 | 0 | 0 | 108.8 | R642 V668 L669 G677 L679 | R642-E672 IonicContact CZ-OE1 2.81Å; R642-E672 IonicContact NE-OE1 2.79Å; R642-E672 PolarHBondContact NE-OE1 2.88Å; R642-E672 IonicContact NH2-OE1 3.15Å; R642-E672 PolarHBondContact NH2-OE1 2.68Å; V668-E672 PolarHBondContact O-N 3.22Å; L669-E672 HydrophobicContact CD2-CG 4.01Å; L669-E672 WeakPolarHBondContact O-CB 3.47Å; L669-E672 PolarHBondContact O-N 2.92Å; E672-G677 VanDerWaalsContact OE2-CA 3.29Å; E672-G677 WeakPolarHBondContact OE2-CA 3.48Å; E672-L679 HydrophobicContact CG-CB 4.45Å | ||
| 673 | P | 84.7 | Confident | 94.5 | Very high | 20 Ų | 20 | 14.9 Ų | 14.9 | 13% | 0.13 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -59.6 | -62.5 | 178 | 28.4 | -38.6 | 0 | 0 | 0 | 108.2 | R431 N639 | R431-P673 PolarHBondContact NE-O 2.93Å; R431-P673 VanDerWaalsContact NH1-CA 3.28Å; R431-P673 PolarHBondContact NH1-O 3.45Å; R431-P673 PolarHBondContact NH2-O 3.1Å; N639-P673 VanDerWaalsContact OD1-CG 3.27Å; N639-P673 WeakPolarHBondContact OD1-CG 3.4Å |
| 674 | F | 90.2 | Very high | 94.6 | Very high | 28 Ų | 28 | 14.5 Ų | 14.5 | 12% | 0.123 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -103.4 | 164.9 | -164.8 | -53.1 | -67.4 | 0 | 0 | 0 | 112.4 | E137 D434 N639 V676 | E137-F674 WeakPolarHBondContact OE1-CA 3.3Å; E137-F674 VanDerWaalsContact OE1-CB 3.25Å; E137-F674 WeakPolarHBondContact OE1-CB 3.46Å; D434-F674 VanDerWaalsContact O-CE1 3.3Å; D434-F674 WeakPolarHBondContact O-CE1 3.29Å; D434-F674 WeakPolarHBondContact O-CZ 3.36Å; N639-F674 WeakPolarHBondContact ND2-CE2 3.33Å; F674-V676 PolarHBondContact O-N 2.93Å; F674-V676 VanDerWaalsContact O-N 3.13Å |
| 675 | L | 92.6 | Very high | 94.6 | Very high | 25 Ų | 25 | 17.9 Ų | 17.9 | 13% | 0.131 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -61.3 | -17 | 168 | -63 | 179.3 | 0 | 0 | 0 | 112.4 | E137 L138 A141 Y145 T712 L713 L716 | E137-L675 HydrophobicContact CB-CD1 4.4Å; E137-L675 HydrophobicContact CG-CB 4.14Å; E137-L675 HydrophobicContact CG-CD1 4.12Å; E137-L675 HydrophobicContact CG-CG 4.19Å; E137-L675 PolarHBondContact OE1-N 3Å; L138-L675 HydrophobicContact CB-CD1 3.88Å; A141-L675 HydrophobicContact CB-CB 3.83Å; Y145-L675 VanDerWaalsContact CE2-O 3.32Å; Y145-L675 WeakPolarHBondContact CE2-O 3.37Å; Y145-L675 PolarHBondContact OH-O 2.97Å; L675-T712 HydrophobicContact CD1-CG2 4.31Å; L675-T712 HydrophobicContact CD2-CG2 4.06Å; L675-L713 HydrophobicContact CD2-CB 4.02Å; L675-L713 WeakPolarHBondContact O-CD1 3.48Å; L675-L716 HydrophobicContact CB-CD1 4.3Å; L675-L716 HydrophobicContact CD1-CD1 4.06Å; L675-L716 HydrophobicContact CD2-CD1 4.27Å; L675-L716 HydrophobicContact CG-CD1 4.46Å |
| 676 | V | 92.8 | Very high | 94.5 | Very high | 23 Ų | 23 | 19.2 Ų | 19.2 | 14% | 0.139 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -117.3 | 101.2 | 170.4 | -179.4 | 0 | 0 | 0 | 0 | 109 | A141 E144 F674 | A141-V676 HydrophobicContact CB-CG2 3.46Å; A141-V676 VanDerWaalsContact CB-CG2 3.46Å; E144-V676 WeakPolarHBondContact OE2-CG1 3.34Å; F674-V676 PolarHBondContact O-N 2.93Å; F674-V676 VanDerWaalsContact O-N 3.13Å |
| 677 | G | 92.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 5% | 0.052 | 9% | 0.092 | C | C | . | . | trans | -116.1 | 148.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E672 L679 G680 K681 | E672-G677 VanDerWaalsContact OE2-CA 3.29Å; E672-G677 WeakPolarHBondContact OE2-CA 3.48Å; G677-L679 PolarHBondContact O-N 3.39Å; G677-G680 PolarHBondContact O-N 3.45Å; G677-G680 VanDerWaalsContact O-N 3.16Å; G677-K681 WeakPolarHBondContact O-CG 3.44Å; G677-K681 PolarHBondContact O-N 2.87Å; G677-K681 VanDerWaalsContact O-N 3.14Å | ||
| 678 | E | 94.6 | Very high | 94.5 | Very high | 72 Ų | 72 | 19.4 Ų | 19.4 | 34% | 0.336 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -61.9 | -33.5 | 177.9 | -68.7 | -59.7 | 124.1 | 0 | 0 | 112 | H643 V646 G680 K681 V682 | H643-E678 WeakPolarHBondContact ND1-CG 3.44Å; V646-E678 HydrophobicContact CB-CB 4.37Å; V646-E678 HydrophobicContact CG1-CB 3.99Å; E678-G680 PolarHBondContact O-N 3.11Å; E678-K681 PolarHBondContact O-N 3.28Å; E678-K681 IonicContact OE1-NZ 3.48Å; E678-K681 PolarHBondContact OE1-NZ 3.41Å; E678-V682 WeakPolarHBondContact O-CG2 3.38Å; E678-V682 PolarHBondContact O-N 3.29Å |
| 679 | L | 97.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.4 | -48.5 | 174.5 | -179.3 | 60.8 | 0 | 0 | 0 | 110.8 | L632 V646 L665 V668 L669 E672 G677 K681 V682 L683 | L632-L679 HydrophobicContact CD1-CD1 4.21Å; L632-L679 HydrophobicContact CD1-CD2 4.28Å; V646-L679 HydrophobicContact CG2-CB 3.72Å; V646-L679 HydrophobicContact CG2-CD1 4.21Å; L665-L679 HydrophobicContact CD2-CD1 4.29Å; V668-L679 HydrophobicContact CG2-CD2 3.67Å; L669-L679 HydrophobicContact CD2-CB 4.1Å; L669-L679 HydrophobicContact CD2-CD2 3.85Å; L669-L679 HydrophobicContact CD2-CG 3.78Å; L669-L679 HydrophobicContact CG-CD2 4.22Å; L669-L679 HydrophobicContact CG-CG 4.49Å; E672-L679 HydrophobicContact CG-CB 4.45Å; G677-L679 PolarHBondContact O-N 3.39Å; L679-K681 VanDerWaalsContact C-N 3.29Å; L679-K681 PolarHBondContact O-N 3.33Å; L679-V682 PolarHBondContact O-N 3.17Å; L679-L683 HydrophobicContact CD1-CD1 3.96Å; L679-L683 HydrophobicContact CD1-CD2 4.46Å; L679-L683 HydrophobicContact CD1-CG 3.98Å; L679-L683 HydrophobicContact CG-CD1 3.92Å; L679-L683 HydrophobicContact CG-CG 4.3Å; L679-L683 WeakPolarHBondContact O-CB 3.21Å; L679-L683 VanDerWaalsContact O-CG 3.29Å; L679-L683 WeakPolarHBondContact O-CG 3.47Å; L679-L683 PolarHBondContact O-N 3.04Å |
| 680 | G | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.7 | -38.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G677 E678 L684 | G677-G680 PolarHBondContact O-N 3.45Å; G677-G680 VanDerWaalsContact O-N 3.16Å; E678-G680 PolarHBondContact O-N 3.11Å; G680-L684 VanDerWaalsContact O-CB 3.24Å; G680-L684 WeakPolarHBondContact O-CB 3.47Å; G680-L684 PolarHBondContact O-N 2.95Å |
| 681 | K | 97.8 | Very high | 94.1 | Very high | 42 Ų | 42 | 20.8 Ų | 20.8 | 18% | 0.183 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.4 | -48.3 | 175.8 | -64.3 | -176.7 | -176.2 | 168.9 | 0 | 112.3 | E144 Y145 I148 G677 E678 L679 R685 | E144-K681 WeakPolarHBondContact OE2-CE 3.35Å; E144-K681 IonicContact OE2-NZ 3.34Å; E144-K681 PolarHBondContact OE2-NZ 3.37Å; Y145-K681 HydrophobicContact CE1-CG 4.25Å; I148-K681 HydrophobicContact CD1-CB 3.52Å; I148-K681 HydrophobicContact CD1-CD 4.21Å; I148-K681 HydrophobicContact CD1-CG 3.6Å; G677-K681 WeakPolarHBondContact O-CG 3.44Å; G677-K681 PolarHBondContact O-N 2.87Å; G677-K681 VanDerWaalsContact O-N 3.14Å; E678-K681 PolarHBondContact O-N 3.28Å; E678-K681 IonicContact OE1-NZ 3.48Å; E678-K681 PolarHBondContact OE1-NZ 3.41Å; L679-K681 VanDerWaalsContact C-N 3.29Å; L679-K681 PolarHBondContact O-N 3.33Å; K681-R685 WeakPolarHBondContact O-CB 3.15Å; K681-R685 PolarHBondContact O-N 2.95Å |
| 682 | V | 97.5 | Very high | 94.1 | Very high | 23 Ų | 23 | 22.5 Ų | 22.5 | 14% | 0.139 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 179.4 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | V646 N650 E678 L679 R685 R686 | V646-V682 HydrophobicContact CG1-CB 4.22Å; V646-V682 HydrophobicContact CG1-CG2 3.65Å; N650-V682 HydrophobicContact CB-CG1 4.15Å; N650-V682 HydrophobicContact CB-CG2 4.15Å; E678-V682 WeakPolarHBondContact O-CG2 3.38Å; E678-V682 PolarHBondContact O-N 3.29Å; L679-V682 PolarHBondContact O-N 3.17Å; V682-R685 PolarHBondContact O-N 3.2Å; V682-R686 HydrophobicContact CG1-CG 4.18Å; V682-R686 WeakPolarHBondContact O-CB 3.49Å; V682-R686 WeakPolarHBondContact O-CG 3.43Å; V682-R686 PolarHBondContact O-N 3Å |
| 683 | L | 98.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 178.6 | -67.2 | 179.6 | 0 | 0 | 0 | 111.8 | L658 L662 L665 L669 L679 R685 R686 A687 F697 | L658-L683 HydrophobicContact CD1-CD2 3.89Å; L662-L683 HydrophobicContact CD1-CD2 4.01Å; L665-L683 HydrophobicContact CB-CD1 4.14Å; L665-L683 HydrophobicContact CB-CD2 4.1Å; L665-L683 HydrophobicContact CD1-CD2 4.25Å; L669-L683 HydrophobicContact CD1-CD1 4.01Å; L669-L683 HydrophobicContact CD2-CD1 4.29Å; L669-L683 HydrophobicContact CG-CD1 4.16Å; L679-L683 HydrophobicContact CD1-CD1 3.96Å; L679-L683 HydrophobicContact CD1-CD2 4.46Å; L679-L683 HydrophobicContact CD1-CG 3.98Å; L679-L683 HydrophobicContact CG-CD1 3.92Å; L679-L683 HydrophobicContact CG-CG 4.3Å; L679-L683 WeakPolarHBondContact O-CB 3.21Å; L679-L683 VanDerWaalsContact O-CG 3.29Å; L679-L683 WeakPolarHBondContact O-CG 3.47Å; L679-L683 PolarHBondContact O-N 3.04Å; L683-R685 PolarHBondContact O-N 2.84Å; L683-R686 PolarHBondContact O-N 3.26Å; L683-A687 WeakPolarHBondContact O-CB 3.47Å; L683-A687 PolarHBondContact O-N 3.47Å; L683-F697 HydrophobicContact CB-CD2 4.47Å; L683-F697 HydrophobicContact CB-CE2 3.88Å |
| 684 | L | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.6 | -46.2 | 175.6 | 176.5 | 63.2 | 0 | 0 | 0 | 111.5 | Y145 I148 G680 R686 A687 L688 F697 L717 A720 | Y145-L684 HydrophobicContact CD1-CD2 3.76Å; Y145-L684 HydrophobicContact CG-CD2 4.16Å; I148-L684 HydrophobicContact CB-CD2 4.31Å; I148-L684 HydrophobicContact CD1-CD2 4.44Å; I148-L684 HydrophobicContact CG2-CD2 4.25Å; I148-L684 HydrophobicContact CG2-CG 4.32Å; G680-L684 VanDerWaalsContact O-CB 3.24Å; G680-L684 WeakPolarHBondContact O-CB 3.47Å; G680-L684 PolarHBondContact O-N 2.95Å; L684-R686 PolarHBondContact O-N 3.48Å; L684-A687 PolarHBondContact O-N 3.31Å; L684-L688 HydrophobicContact CD1-CD1 4Å; L684-L688 HydrophobicContact CD1-CG 4.2Å; L684-L688 HydrophobicContact CG-CD1 4.1Å; L684-L688 WeakPolarHBondContact O-CB 3.27Å; L684-L688 VanDerWaalsContact O-CG 3.31Å; L684-L688 WeakPolarHBondContact O-CG 3.33Å; L684-L688 PolarHBondContact O-N 2.92Å; L684-F697 HydrophobicContact CD1-CE1 4.46Å; L684-L717 HydrophobicContact CB-CD2 4.26Å; L684-A720 HydrophobicContact CD1-CB 4.22Å; L684-A720 HydrophobicContact CD2-CB 3.74Å |
| 685 | R | 97.7 | Very high | 95.2 | Very high | 70 Ų | 70 | 19.7 Ų | 19.7 | 26% | 0.264 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -60 | -47.6 | 178.2 | -168.4 | -170.7 | -172.5 | 90.9 | 5.1 | 111.4 | I148 E151 V152 E155 K681 V682 L683 L688 L689 | I148-R685 HydrophobicContact CG2-CB 4Å; I148-R685 HydrophobicContact CG2-CG 4.37Å; E151-R685 IonicContact OE2-CZ 3.37Å; E151-R685 IonicContact OE2-NH1 3.9Å; E151-R685 PolarHBondContact OE2-NH1 3.47Å; V152-R685 HydrophobicContact CG2-CB 4.48Å; V152-R685 HydrophobicContact CG2-CG 3.67Å; E155-R685 IonicContact OE2-CZ 3.86Å; E155-R685 IonicContact OE2-NE 3.48Å; E155-R685 IonicContact OE2-NH2 2.71Å; E155-R685 PolarHBondContact OE2-NH2 3.5Å; K681-R685 WeakPolarHBondContact O-CB 3.15Å; K681-R685 PolarHBondContact O-N 2.95Å; V682-R685 PolarHBondContact O-N 3.2Å; L683-R685 PolarHBondContact O-N 2.84Å; R685-L688 PolarHBondContact O-N 3.46Å; R685-L689 HydrophobicContact CG-CD1 4.04Å; R685-L689 VanDerWaalsContact O-CG 3.31Å; R685-L689 WeakPolarHBondContact O-CG 3.48Å; R685-L689 PolarHBondContact O-N 2.83Å; R685-L689 VanDerWaalsContact O-N 3.1Å |
| 686 | R | 96.3 | Very high | 95.4 | Very high | 31 Ų | 31 | 20.8 Ų | 20.8 | 12% | 0.117 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.5 | -40.1 | -178.6 | -63.2 | -74.6 | -84.1 | 151.8 | -5.4 | 111.6 | L653 D655 L658 V682 L683 L684 L688 L689 N690 | L653-R686 PolarHBondContact O-NH2 2.89Å; D655-R686 VanDerWaalsContact N-NH2 3.17Å; D655-R686 IonicContact OD1-CZ 3.69Å; D655-R686 IonicContact OD1-NE 3.51Å; D655-R686 IonicContact OD1-NH1 3.42Å; D655-R686 PolarHBondContact OD1-NH1 3.45Å; D655-R686 IonicContact OD1-NH2 3.95Å; D655-R686 PolarHBondContact OD1-NH2 2.94Å; D655-R686 IonicContact OD2-CZ 2.73Å; D655-R686 IonicContact OD2-NH1 3.34Å; D655-R686 PolarHBondContact OD2-NH1 3.25Å; D655-R686 IonicContact OD2-NH2 2.66Å; D655-R686 PolarHBondContact OD2-NH2 3.45Å; L658-R686 HydrophobicContact CD2-CB 3.58Å; L658-R686 HydrophobicContact CD2-CG 3.87Å; V682-R686 HydrophobicContact CG1-CG 4.18Å; V682-R686 WeakPolarHBondContact O-CB 3.49Å; V682-R686 WeakPolarHBondContact O-CG 3.43Å; V682-R686 PolarHBondContact O-N 3Å; L683-R686 PolarHBondContact O-N 3.26Å; L684-R686 PolarHBondContact O-N 3.48Å; R686-L688 VanDerWaalsContact C-N 3.34Å; R686-L688 PolarHBondContact O-N 3.36Å; R686-L689 PolarHBondContact O-N 2.94Å; R686-N690 PolarHBondContact O-N 2.96Å; R686-N690 VanDerWaalsContact O-N 3.13Å |
| 687 | A | 97.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 3% | 0.025 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.4 | -39.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | L683 L684 L689 N690 I693 G694 F697 Y721 | L683-A687 WeakPolarHBondContact O-CB 3.47Å; L683-A687 PolarHBondContact O-N 3.47Å; L684-A687 PolarHBondContact O-N 3.31Å; A687-L689 VanDerWaalsContact C-N 3.31Å; A687-N690 VanDerWaalsContact O-O 3.12Å; A687-I693 HydrophobicContact CB-CG2 4.42Å; A687-G694 VanDerWaalsContact O-CA 3.29Å; A687-G694 WeakPolarHBondContact O-CA 3.48Å; A687-F697 HydrophobicContact CB-CB 3.95Å; A687-F697 HydrophobicContact CB-CD1 3.76Å; A687-F697 HydrophobicContact CB-CD2 4.44Å; A687-F697 HydrophobicContact CB-CE1 4.31Å; A687-F697 HydrophobicContact CB-CG 3.81Å; A687-Y721 HydrophobicContact CB-CD2 4.22Å; A687-Y721 HydrophobicContact CB-CE2 4.27Å |
| 688 | L | 95.2 | Very high | 96 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -74.6 | -17.9 | 173.9 | -68 | 171.7 | 0 | 0 | 0 | 112.8 | V152 R156 L684 R685 R686 Y721 V725 | V152-L688 HydrophobicContact CB-CB 4.23Å; V152-L688 HydrophobicContact CB-CD1 4.37Å; V152-L688 HydrophobicContact CG1-CB 3.65Å; V152-L688 HydrophobicContact CG2-CB 4.22Å; V152-L688 HydrophobicContact CG2-CD1 4.32Å; R156-L688 PolarHBondContact NE-O 2.87Å; R156-L688 PolarHBondContact NH2-O 3.23Å; L684-L688 HydrophobicContact CD1-CD1 4Å; L684-L688 HydrophobicContact CD1-CG 4.2Å; L684-L688 HydrophobicContact CG-CD1 4.1Å; L684-L688 WeakPolarHBondContact O-CB 3.27Å; L684-L688 VanDerWaalsContact O-CG 3.31Å; L684-L688 WeakPolarHBondContact O-CG 3.33Å; L684-L688 PolarHBondContact O-N 2.92Å; R685-L688 PolarHBondContact O-N 3.46Å; R686-L688 VanDerWaalsContact C-N 3.34Å; R686-L688 PolarHBondContact O-N 3.36Å; L688-Y721 HydrophobicContact CD2-CD2 3.8Å; L688-Y721 HydrophobicContact CD2-CE2 4.24Å; L688-Y721 HydrophobicContact CG-CD2 4.29Å; L688-V725 HydrophobicContact CD2-CB 4.49Å |
| 689 | L | 92.2 | Very high | 96.1 | Very high | 6 Ų | 6 | 16 Ų | 16 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -94.2 | -15.4 | -180 | -72.8 | 169.2 | 0 | 0 | 0 | 113.9 | V152 E155 R166 R685 R686 A687 | V152-L689 HydrophobicContact CG1-CD2 3.74Å; V152-L689 HydrophobicContact CG1-CG 4.03Å; V152-L689 HydrophobicContact CG2-CG 4.47Å; E155-L689 HydrophobicContact CG-CD2 4.28Å; R166-L689 VanDerWaalsContact CB-O 3.3Å; R166-L689 WeakPolarHBondContact CB-O 3.17Å; R166-L689 WeakPolarHBondContact CD-O 3.44Å; R685-L689 HydrophobicContact CG-CD1 4.04Å; R685-L689 VanDerWaalsContact O-CG 3.31Å; R685-L689 WeakPolarHBondContact O-CG 3.48Å; R685-L689 PolarHBondContact O-N 2.83Å; R685-L689 VanDerWaalsContact O-N 3.1Å; R686-L689 PolarHBondContact O-N 2.94Å; A687-L689 VanDerWaalsContact C-N 3.31Å |
| 690 | N | 91.6 | Very high | 96 | Very high | 17 Ų | 17 | 15.9 Ų | 15.9 | 9% | 0.091 | 8% | 0.082 | C | C | . | . | trans | -138.9 | 121.2 | -174.9 | 180 | -52.3 | 0 | 0 | 0 | 110.6 | R166 R686 A687 T692 I693 G694 | R166-N690 PolarHBondContact O-ND2 3.24Å; R686-N690 PolarHBondContact O-N 2.96Å; R686-N690 VanDerWaalsContact O-N 3.13Å; A687-N690 VanDerWaalsContact O-O 3.12Å; N690-T692 PolarHBondContact O-N 3.24Å; N690-T692 WeakPolarHBondContact OD1-CB 3.43Å; N690-T692 PolarHBondContact OD1-N 2.9Å; N690-I693 HydrophobicContact CB-CB 4.13Å; N690-I693 HydrophobicContact CB-CD1 3.93Å; N690-I693 HydrophobicContact CB-CG1 4.11Å; N690-I693 PolarHBondContact O-N 3.26Å; N690-I693 PolarHBondContact OD1-N 2.7Å; N690-I693 VanDerWaalsContact OD1-N 3.13Å; N690-G694 PolarHBondContact O-N 3.44Å | ||
| 691 | G | 90 | Very high | 96 | Very high | 14 Ų | 14 | 15.9 Ų | 15.9 | 14% | 0.144 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G694 H695 H782 | G691-G694 PolarHBondContact O-N 2.94Å; G691-H695 WeakPolarHBondContact O-CB 3.34Å; G691-H695 PolarHBondContact O-N 2.98Å; G691-H782 VanDerWaalsContact C-NE2 3.3Å |
| 692 | T | 91.6 | Very high | 95.8 | Very high | 63 Ų | 63 | 15.6 Ų | 15.6 | 39% | 0.387 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 178.6 | -50.5 | 0 | 0 | 0 | 0 | 111.6 | N690 L696 H782 | N690-T692 PolarHBondContact O-N 3.24Å; N690-T692 WeakPolarHBondContact OD1-CB 3.43Å; N690-T692 PolarHBondContact OD1-N 2.9Å; T692-L696 PolarHBondContact O-N 2.89Å; T692-L696 VanDerWaalsContact O-N 3.17Å; T692-H782 WeakPolarHBondContact CA-CE1 3.44Å; T692-H782 PolarHBondContact N-CE1 3.48Å; T692-H782 PolarHBondContact N-NE2 3.49Å; T692-H782 PolarHBondContact OG1-CE1 3.04Å |
| 693 | I | 95.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.1 | -43.3 | 178.4 | -61 | 177 | 0 | 0 | 0 | 109.7 | D655 L658 A659 L662 A687 N690 L696 F697 | D655-I693 HydrophobicContact CB-CD1 4.05Å; D655-I693 WeakPolarHBondContact OD1-CD1 3.37Å; L658-I693 HydrophobicContact CB-CD1 4.23Å; L658-I693 HydrophobicContact CD2-CD1 3.86Å; L658-I693 HydrophobicContact CD2-CG2 4.23Å; L658-I693 HydrophobicContact CG-CD1 4.01Å; L658-I693 HydrophobicContact CG-CG2 4.37Å; A659-I693 HydrophobicContact CB-CG1 4.42Å; L662-I693 HydrophobicContact CD1-CG2 4.36Å; L662-I693 HydrophobicContact CD2-CG2 4.02Å; A687-I693 HydrophobicContact CB-CG2 4.42Å; N690-I693 HydrophobicContact CB-CB 4.13Å; N690-I693 HydrophobicContact CB-CD1 3.93Å; N690-I693 HydrophobicContact CB-CG1 4.11Å; N690-I693 PolarHBondContact O-N 3.26Å; N690-I693 PolarHBondContact OD1-N 2.7Å; N690-I693 VanDerWaalsContact OD1-N 3.13Å; I693-L696 PolarHBondContact O-N 2.86Å; I693-F697 WeakPolarHBondContact O-CB 3.37Å; I693-F697 PolarHBondContact O-N 3.49Å |
| 694 | G | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A687 N690 G691 F697 F698 Y721 | A687-G694 VanDerWaalsContact O-CA 3.29Å; A687-G694 WeakPolarHBondContact O-CA 3.48Å; N690-G694 PolarHBondContact O-N 3.44Å; G691-G694 PolarHBondContact O-N 2.94Å; G694-F697 PolarHBondContact O-N 3.04Å; G694-F698 PolarHBondContact O-N 3.47Å; G694-Y721 WeakPolarHBondContact CA-OH 3.38Å; G694-Y721 VanDerWaalsContact O-CZ 3.31Å; G694-Y721 PolarHBondContact O-OH 3.47Å; G694-Y721 VanDerWaalsContact O-OH 3.13Å |
| 695 | H | 96.7 | Very high | 94.5 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 3% | 0.032 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61 | -49.1 | 176.8 | -179.3 | 74.7 | 0 | 0 | 0 | 112.1 | G691 F698 W699 Y728 Q735 P779 H782 | G691-H695 WeakPolarHBondContact O-CB 3.34Å; G691-H695 PolarHBondContact O-N 2.98Å; H695-F698 PolarHBondContact O-N 2.92Å; H695-W699 AromaticContact CE1-CD1 3.58Å; H695-W699 AromaticContact CE1-NE1 3.3Å; H695-W699 PolarHBondContact CE1-NE1 3.11Å; H695-W699 VanDerWaalsContact CE1-NE1 3.3Å; H695-W699 AromaticContact ND1-CD1 4Å; H695-W699 AromaticContact ND1-NE1 3.92Å; H695-W699 AromaticContact NE2-CD1 3.62Å; H695-W699 AromaticContact NE2-NE1 3.72Å; H695-W699 PolarHBondContact O-N 2.94Å; H695-Y728 AromaticContact ND1-CZ 3.93Å; H695-Y728 PolarHBondContact ND1-OH 2.77Å; H695-Q735 PolarHBondContact CE1-OE1 2.98Å; H695-Q735 VanDerWaalsContact CE1-OE1 3.23Å; H695-P779 PolarHBondContact CE1-O 2.95Å; H695-P779 PolarHBondContact NE2-O 2.81Å; H695-H782 HydrophobicContact CB-CB 3.94Å |
| 696 | L | 96.8 | Very high | 93.3 | Very high | 48 Ų | 48 | 15 Ų | 15 | 25% | 0.251 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -66.8 | -40.6 | 178.9 | -175.3 | 60.2 | 0 | 0 | 0 | 111.3 | L662 T692 I693 F698 W699 L700 L863 | L662-L696 HydrophobicContact CB-CD2 4.28Å; L662-L696 HydrophobicContact CD2-CB 3.9Å; L662-L696 HydrophobicContact CD2-CD2 3.93Å; L662-L696 HydrophobicContact CD2-CG 3.89Å; T692-L696 PolarHBondContact O-N 2.89Å; T692-L696 VanDerWaalsContact O-N 3.17Å; I693-L696 PolarHBondContact O-N 2.86Å; L696-F698 VanDerWaalsContact C-N 3.32Å; L696-F698 PolarHBondContact O-N 3.03Å; L696-W699 PolarHBondContact O-N 3.38Å; L696-L700 HydrophobicContact CD1-CD1 4.07Å; L696-L700 HydrophobicContact CD1-CD2 4.45Å; L696-L700 HydrophobicContact CD1-CG 3.96Å; L696-L700 HydrophobicContact CD2-CD1 4.3Å; L696-L700 HydrophobicContact CG-CD1 3.69Å; L696-L700 HydrophobicContact CG-CG 4.08Å; L696-L700 VanDerWaalsContact O-CB 3.32Å; L696-L700 WeakPolarHBondContact O-CB 3.33Å; L696-L700 WeakPolarHBondContact O-CG 3.3Å; L696-L700 PolarHBondContact O-N 3.49Å; L696-L863 HydrophobicContact CD1-CD1 3.71Å |
| 697 | F | 98.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.6 | -44 | 175 | 179.2 | -103.1 | 0 | 0 | 0 | 112.1 | L662 V666 L683 L684 A687 I693 G694 L701 L717 Y721 | L662-F697 HydrophobicContact CD2-CB 4.21Å; V666-F697 HydrophobicContact CG2-CD2 4.01Å; V666-F697 HydrophobicContact CG2-CE2 4.42Å; L683-F697 HydrophobicContact CB-CD2 4.47Å; L683-F697 HydrophobicContact CB-CE2 3.88Å; L684-F697 HydrophobicContact CD1-CE1 4.46Å; A687-F697 HydrophobicContact CB-CB 3.95Å; A687-F697 HydrophobicContact CB-CD1 3.76Å; A687-F697 HydrophobicContact CB-CD2 4.44Å; A687-F697 HydrophobicContact CB-CE1 4.31Å; A687-F697 HydrophobicContact CB-CG 3.81Å; I693-F697 WeakPolarHBondContact O-CB 3.37Å; I693-F697 PolarHBondContact O-N 3.49Å; G694-F697 PolarHBondContact O-N 3.04Å; F697-L701 HydrophobicContact CD1-CD1 3.9Å; F697-L701 HydrophobicContact CD2-CD1 4.27Å; F697-L701 HydrophobicContact CE1-CD1 3.38Å; F697-L701 HydrophobicContact CE1-CG 4.49Å; F697-L701 HydrophobicContact CE2-CD1 3.79Å; F697-L701 HydrophobicContact CE2-CG 4.29Å; F697-L701 HydrophobicContact CG-CD1 4.34Å; F697-L701 HydrophobicContact CZ-CD1 3.34Å; F697-L701 HydrophobicContact CZ-CG 4.31Å; F697-L701 WeakPolarHBondContact O-CB 3.47Å; F697-L701 WeakPolarHBondContact O-CG 3.4Å; F697-L701 PolarHBondContact O-N 3.25Å; F697-L717 HydrophobicContact CZ-CB 4.18Å; F697-L717 HydrophobicContact CZ-CD1 4.44Å; F697-L717 HydrophobicContact CZ-CD2 4.5Å; F697-Y721 HydrophobicContact CD1-CD2 4.29Å; F697-Y721 HydrophobicContact CD1-CG 4.33Å |
| 698 | F | 98.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.9 | -53.9 | 176.6 | 173.2 | -95.3 | 0 | 0 | 0 | 111.9 | A122 G694 H695 L696 L701 R702 L718 Y721 L732 V736 | A122-F698 HydrophobicContact CB-CE2 4.08Å; A122-F698 HydrophobicContact CB-CZ 4.21Å; A122-F698 WeakPolarHBondContact O-CZ 3.39Å; G694-F698 PolarHBondContact O-N 3.47Å; H695-F698 PolarHBondContact O-N 2.92Å; L696-F698 VanDerWaalsContact C-N 3.32Å; L696-F698 PolarHBondContact O-N 3.03Å; F698-L701 PolarHBondContact O-N 2.97Å; F698-R702 VanDerWaalsContact O-CB 3.28Å; F698-R702 WeakPolarHBondContact O-CB 3.38Å; F698-R702 PolarHBondContact O-N 3.32Å; F698-L718 HydrophobicContact CD2-CD2 3.57Å; F698-L718 HydrophobicContact CE2-CD2 4.09Å; F698-L718 HydrophobicContact CG-CD2 4.28Å; F698-Y721 HydrophobicContact CB-CD1 4.27Å; F698-Y721 HydrophobicContact CB-CE1 3.8Å; F698-Y721 HydrophobicContact CD2-CD1 4.18Å; F698-Y721 HydrophobicContact CD2-CE1 4.15Å; F698-Y721 HydrophobicContact CG-CE1 4.34Å; F698-L732 HydrophobicContact CD1-CD2 3.74Å; F698-L732 HydrophobicContact CD2-CD1 4.05Å; F698-L732 HydrophobicContact CD2-CD2 4.45Å; F698-L732 HydrophobicContact CE1-CD2 3.99Å; F698-L732 HydrophobicContact CE2-CD1 4.28Å; F698-L732 HydrophobicContact CG-CD1 4.3Å; F698-L732 HydrophobicContact CG-CD2 3.99Å; F698-L732 HydrophobicContact CZ-CB 4.37Å; F698-L732 HydrophobicContact CZ-CD2 4.45Å; F698-V736 HydrophobicContact CE1-CG2 4.07Å; F698-V736 HydrophobicContact CZ-CG2 3.9Å |
| 699 | W | 97 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.1 | -38.2 | -177.3 | -75.3 | 112.5 | 0 | 0 | 0 | 112.8 | H695 L696 L701 R702 V703 Q735 V736 V739 P779 L863 M865 | H695-W699 AromaticContact CE1-CD1 3.58Å; H695-W699 AromaticContact CE1-NE1 3.3Å; H695-W699 PolarHBondContact CE1-NE1 3.11Å; H695-W699 VanDerWaalsContact CE1-NE1 3.3Å; H695-W699 AromaticContact ND1-CD1 4Å; H695-W699 AromaticContact ND1-NE1 3.92Å; H695-W699 AromaticContact NE2-CD1 3.62Å; H695-W699 AromaticContact NE2-NE1 3.72Å; H695-W699 PolarHBondContact O-N 2.94Å; L696-W699 PolarHBondContact O-N 3.38Å; W699-L701 VanDerWaalsContact C-N 3.35Å; W699-L701 PolarHBondContact O-N 3.38Å; W699-R702 PolarHBondContact O-N 2.89Å; W699-V703 PolarHBondContact O-N 3Å; W699-Q735 HydrophobicContact CZ2-CB 4.03Å; W699-V736 HydrophobicContact CH2-CG2 3.95Å; W699-V736 HydrophobicContact CZ2-CG2 4.49Å; W699-V739 HydrophobicContact CH2-CB 4.48Å; W699-V739 HydrophobicContact CH2-CG2 3.89Å; W699-P779 HydrophobicContact CZ2-CB 4.03Å; W699-P779 PolarHBondContact NE1-O 3.44Å; W699-L863 HydrophobicContact CB-CD1 4.06Å; W699-L863 HydrophobicContact CB-CD2 4.01Å; W699-L863 HydrophobicContact CB-CG 4.24Å; W699-L863 HydrophobicContact CG-CD2 3.93Å; W699-M865 HydrophobicContact CD2-CG 4.13Å; W699-M865 HydrophobicContact CE3-CB 3.74Å; W699-M865 HydrophobicContact CE3-CG 3.7Å; W699-M865 HydrophobicContact CH2-CB 4.32Å; W699-M865 HydrophobicContact CH2-CG 4.31Å; W699-M865 HydrophobicContact CZ3-CB 3.55Å; W699-M865 HydrophobicContact CZ3-CG 3.81Å |
| 700 | L | 96.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -32.1 | 176.6 | -71.2 | 175.9 | 0 | 0 | 0 | 113.4 | L662 M663 V666 L696 V703 M835 | L662-L700 HydrophobicContact CB-CD1 4.4Å; L662-L700 HydrophobicContact CD2-CD1 4.2Å; L662-L700 HydrophobicContact CG-CD1 3.97Å; M663-L700 HydrophobicContact CB-CD1 4.28Å; M663-L700 HydrophobicContact CB-CD2 4.39Å; M663-L700 HydrophobicContact CG-CD2 4.35Å; V666-L700 HydrophobicContact CB-CB 4.43Å; V666-L700 HydrophobicContact CG1-CB 4.05Å; V666-L700 HydrophobicContact CG2-CB 4.34Å; V666-L700 HydrophobicContact CG2-CD1 4.21Å; L696-L700 HydrophobicContact CD1-CD1 4.07Å; L696-L700 HydrophobicContact CD1-CD2 4.45Å; L696-L700 HydrophobicContact CD1-CG 3.96Å; L696-L700 HydrophobicContact CD2-CD1 4.3Å; L696-L700 HydrophobicContact CG-CD1 3.69Å; L696-L700 HydrophobicContact CG-CG 4.08Å; L696-L700 VanDerWaalsContact O-CB 3.32Å; L696-L700 WeakPolarHBondContact O-CB 3.33Å; L696-L700 WeakPolarHBondContact O-CG 3.3Å; L696-L700 PolarHBondContact O-N 3.49Å; L700-V703 VanDerWaalsContact O-CG1 3.3Å; L700-V703 WeakPolarHBondContact O-CG1 3.39Å; L700-M835 HydrophobicContact CD2-CE 3.68Å; L700-M835 HydrophobicContact CD2-SD 3.79Å |
| 701 | L | 96.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -78.1 | -42.1 | 171.9 | -72 | 179.3 | 0 | 0 | 0 | 111.6 | V666 L669 F697 F698 W699 V703 E704 F714 L717 L718 | V666-L701 HydrophobicContact CG1-CD2 3.8Å; V666-L701 HydrophobicContact CG1-CG 4.38Å; L669-L701 HydrophobicContact CD1-CD2 4.35Å; F697-L701 HydrophobicContact CD1-CD1 3.9Å; F697-L701 HydrophobicContact CD2-CD1 4.27Å; F697-L701 HydrophobicContact CE1-CD1 3.38Å; F697-L701 HydrophobicContact CE1-CG 4.49Å; F697-L701 HydrophobicContact CE2-CD1 3.79Å; F697-L701 HydrophobicContact CE2-CG 4.29Å; F697-L701 HydrophobicContact CG-CD1 4.34Å; F697-L701 HydrophobicContact CZ-CD1 3.34Å; F697-L701 HydrophobicContact CZ-CG 4.31Å; F697-L701 WeakPolarHBondContact O-CB 3.47Å; F697-L701 WeakPolarHBondContact O-CG 3.4Å; F697-L701 PolarHBondContact O-N 3.25Å; F698-L701 PolarHBondContact O-N 2.97Å; W699-L701 VanDerWaalsContact C-N 3.35Å; W699-L701 PolarHBondContact O-N 3.38Å; L701-V703 PolarHBondContact O-N 2.89Å; L701-E704 CarbonylContact O-C 3.58Å; L701-E704 PolarHBondContact O-N 3.38Å; L701-E704 VanDerWaalsContact O-N 3.08Å; L701-F714 HydrophobicContact CD2-CB 4.04Å; L701-F714 HydrophobicContact CD2-CD1 3.41Å; L701-F714 VanDerWaalsContact CD2-CD1 3.41Å; L701-F714 HydrophobicContact CD2-CE1 3.88Å; L701-F714 HydrophobicContact CD2-CG 3.75Å; L701-L717 HydrophobicContact CD1-CB 3.71Å; L701-L717 HydrophobicContact CD1-CD1 4.43Å; L701-L717 HydrophobicContact CD2-CD1 4.44Å; L701-L718 HydrophobicContact CB-CD1 3.93Å; L701-L718 HydrophobicContact CB-CD2 3.85Å; L701-L718 HydrophobicContact CB-CG 3.74Å; L701-L718 HydrophobicContact CD1-CD2 4.15Å; L701-L718 HydrophobicContact CD1-CG 3.98Å |
| 702 | R | 94.2 | Very high | 89.3 | Confident | 35 Ų | 35 | 21.9 Ų | 21.9 | 13% | 0.132 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | -175.8 | -167.6 | -177.4 | -172.9 | -71.3 | -0.6 | 112.2 | A122 F698 W699 E704 L705 L718 E740 M865 | A122-R702 PolarHBondContact O-NE 3.4Å; F698-R702 VanDerWaalsContact O-CB 3.28Å; F698-R702 WeakPolarHBondContact O-CB 3.38Å; F698-R702 PolarHBondContact O-N 3.32Å; W699-R702 PolarHBondContact O-N 2.89Å; R702-E704 PolarHBondContact O-N 3.13Å; R702-L705 HydrophobicContact CG-CD1 4.28Å; R702-L705 WeakPolarHBondContact O-CB 3.27Å; R702-L705 PolarHBondContact O-N 3.14Å; R702-L705 VanDerWaalsContact O-N 3.12Å; R702-L718 HydrophobicContact CB-CD1 4.37Å; R702-E740 IonicContact NH2-OE1 3.24Å; R702-M865 PolarHBondContact NH1-O 3.23Å |
| 703 | V | 91.7 | Very high | 89.4 | Confident | 15 Ų | 15 | 19.3 Ų | 19.3 | 9% | 0.091 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -59.1 | -30.3 | 176 | 69.5 | 0 | 0 | 0 | 0 | 112 | W699 L700 L701 P864 | W699-V703 PolarHBondContact O-N 3Å; L700-V703 VanDerWaalsContact O-CG1 3.3Å; L700-V703 WeakPolarHBondContact O-CG1 3.39Å; L701-V703 PolarHBondContact O-N 2.89Å; V703-P864 HydrophobicContact CG2-CB 3.79Å; V703-P864 HydrophobicContact CG2-CG 4.21Å |
| 704 | E | 88.5 | Confident | 89.3 | Confident | 8 Ų | 8 | 19.2 Ų | 19.2 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -90.5 | 14 | -179.8 | -59.9 | -68.3 | 162.1 | 0 | 0 | 113.2 | Q667 K670 L701 R702 G706 N708 F714 R832 | Q667-E704 PolarHBondContact NE2-OE1 3.15Å; K670-E704 WeakPolarHBondContact CE-OE2 3.44Å; K670-E704 IonicContact NZ-OE1 3.61Å; K670-E704 PolarHBondContact NZ-OE1 3.27Å; K670-E704 IonicContact NZ-OE2 3.29Å; K670-E704 PolarHBondContact NZ-OE2 3.35Å; L701-E704 CarbonylContact O-C 3.58Å; L701-E704 PolarHBondContact O-N 3.38Å; L701-E704 VanDerWaalsContact O-N 3.08Å; R702-E704 PolarHBondContact O-N 3.13Å; E704-G706 PolarHBondContact O-N 2.85Å; E704-N708 PolarHBondContact O-ND2 3.27Å; E704-F714 HydrophobicContact CB-CD2 3.42Å; E704-F714 VanDerWaalsContact CB-CD2 3.42Å; E704-F714 HydrophobicContact CB-CE2 3.38Å; E704-F714 HydrophobicContact CG-CD2 4.4Å; E704-F714 HydrophobicContact CG-CE2 3.94Å; E704-R832 IonicContact OE1-NH1 2.68Å |
| 705 | L | 86.9 | Confident | 89.2 | Confident | 19 Ų | 19 | 19.4 Ų | 19.4 | 10% | 0.099 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -78.3 | -7.9 | 174.9 | -70.5 | 178.5 | 0 | 0 | 0 | 113.8 | V123 R702 F714 A715 L718 | V123-L705 HydrophobicContact CG1-CD1 3.84Å; V123-L705 WeakPolarHBondContact O-CD1 3.4Å; R702-L705 HydrophobicContact CG-CD1 4.28Å; R702-L705 WeakPolarHBondContact O-CB 3.27Å; R702-L705 PolarHBondContact O-N 3.14Å; R702-L705 VanDerWaalsContact O-N 3.12Å; L705-F714 HydrophobicContact CD2-CB 4.05Å; L705-A715 HydrophobicContact CD2-CB 3.83Å; L705-L718 HydrophobicContact CD1-CD1 3.7Å; L705-L718 HydrophobicContact CD2-CD1 4.17Å; L705-L718 HydrophobicContact CG-CD1 4.09Å |
| 706 | G | 73 | Confident | 89.1 | Confident | 43 Ų | 43 | 19.2 Ų | 19.2 | 44% | 0.443 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -83.3 | 122.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E704 N708 | E704-G706 PolarHBondContact O-N 2.85Å; G706-N708 PolarHBondContact O-N 3.32Å; G706-N708 VanDerWaalsContact O-N 3.1Å; G706-N708 PolarHBondContact O-ND2 2.74Å |
| 707 | H | 64.2 | Low | 89.2 | Confident | 113 Ų | 113 | 16.9 Ų | 16.9 | 52% | 0.523 | 10% | 0.099 | S | C | . | . | S | Bend | trans | 32.8 | 55.6 | 166.1 | -55.1 | 102.7 | 0 | 0 | 0 | 117.2 | W449 | W449-H707 WeakPolarHBondContact CZ3-O 3.47Š|
| 708 | N | 75 | Confident | 89.1 | Confident | 14 Ų | 14 | 16.9 Ų | 16.9 | 8% | 0.075 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -136.6 | 157.3 | 170.5 | 63.4 | 81.2 | 0 | 0 | 0 | 111.4 | E704 G706 S710 C711 | E704-N708 PolarHBondContact O-ND2 3.27Å; G706-N708 PolarHBondContact O-N 3.32Å; G706-N708 VanDerWaalsContact O-N 3.1Å; G706-N708 PolarHBondContact O-ND2 2.74Å; N708-S710 VanDerWaalsContact C-N 3.26Å; N708-S710 PolarHBondContact O-N 3.13Å; N708-S710 WeakPolarHBondContact OD1-CA 3.29Å; N708-S710 PolarHBondContact OD1-N 3.28Å; N708-S710 VanDerWaalsContact OD1-N 3.11Å; N708-C711 WeakPolarHBondContact O-CB 3.31Å; N708-C711 PolarHBondContact O-N 3.14Å; N708-C711 PolarHBondContact O-SG 2.65Å; N708-C711 PolarHBondContact OD1-N 2.57Å |
| 709 | P | 77.4 | Confident | 89.1 | Confident | 26 Ų | 26 | 17.1 Ų | 17.1 | 17% | 0.169 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -34.4 | 179.1 | -26.8 | 33.5 | 0 | 0 | 0 | 114.7 | W449 Q464 L465 C711 | W449-P709 HydrophobicContact CD2-CG 4.33Å; W449-P709 VanDerWaalsContact CE2-CG 3.47Å; W449-P709 HydrophobicContact CH2-CG 4.16Å; W449-P709 HydrophobicContact CZ2-CB 4.08Å; W449-P709 VanDerWaalsContact CZ2-CD 3.42Å; W449-P709 HydrophobicContact CZ2-CG 3.38Å; Q464-P709 HydrophobicContact CB-CB 3.81Å; Q464-P709 HydrophobicContact CB-CG 3.45Å; Q464-P709 VanDerWaalsContact CB-CG 3.45Å; L465-P709 VanDerWaalsContact O-CB 3.22Å; L465-P709 WeakPolarHBondContact O-CB 3.3Å; P709-C711 PolarHBondContact O-N 3.03Å |
| 710 | S | 84.8 | Confident | 89.1 | Confident | 15 Ų | 15 | 17.4 Ų | 17.4 | 11% | 0.105 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 0 | -176.7 | -53.4 | 0 | 0 | 0 | 0 | 114 | Q464 N708 T712 L713 F714 | Q464-S710 PolarHBondContact OE1-OG 3.46Å; N708-S710 VanDerWaalsContact C-N 3.26Å; N708-S710 PolarHBondContact O-N 3.13Å; N708-S710 WeakPolarHBondContact OD1-CA 3.29Å; N708-S710 PolarHBondContact OD1-N 3.28Å; N708-S710 VanDerWaalsContact OD1-N 3.11Å; S710-T712 PolarHBondContact O-N 3.03Å; S710-T712 VanDerWaalsContact O-N 3.14Å; S710-L713 WeakPolarHBondContact O-CB 3.3Å; S710-L713 PolarHBondContact O-N 3.49Å; S710-F714 PolarHBondContact O-N 3.22Å |
| 711 | C | 87.2 | Confident | 89.2 | Confident | 9 Ų | 9 | 17.4 Ų | 17.4 | 6% | 0.061 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.3 | -34.6 | -176.9 | 65.7 | 0 | 0 | 0 | 0 | 112.8 | N708 P709 F714 A715 | N708-C711 WeakPolarHBondContact O-CB 3.31Å; N708-C711 PolarHBondContact O-N 3.14Å; N708-C711 PolarHBondContact O-SG 2.65Å; N708-C711 PolarHBondContact OD1-N 2.57Å; P709-C711 PolarHBondContact O-N 3.03Å; C711-F714 PolarHBondContact O-N 3.42Å; C711-A715 VanDerWaalsContact O-CB 3.25Å; C711-A715 WeakPolarHBondContact O-CB 3.48Å; C711-A715 PolarHBondContact O-N 3.1Å |
| 712 | T | 89.5 | Confident | 89.2 | Confident | 41 Ų | 41 | 17.5 Ų | 17.5 | 25% | 0.252 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -64.6 | -47.7 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | F130 L138 L675 S710 F714 A715 L716 | F130-T712 HydrophobicContact CE1-CG2 4.47Å; L138-T712 HydrophobicContact CD1-CG2 3.93Å; L675-T712 HydrophobicContact CD1-CG2 4.31Å; L675-T712 HydrophobicContact CD2-CG2 4.06Å; S710-T712 PolarHBondContact O-N 3.03Å; S710-T712 VanDerWaalsContact O-N 3.14Å; T712-F714 VanDerWaalsContact C-N 3.34Å; T712-F714 PolarHBondContact O-N 3.28Å; T712-A715 PolarHBondContact O-N 3.42Å; T712-L716 HydrophobicContact CG2-CD1 4.13Å; T712-L716 WeakPolarHBondContact O-CB 3.48Å; T712-L716 VanDerWaalsContact O-CG 3.23Å; T712-L716 WeakPolarHBondContact O-CG 3.12Å; T712-L716 PolarHBondContact O-N 2.73Å |
| 713 | L | 93.1 | Very high | 89.3 | Confident | 9 Ų | 9 | 16.4 Ų | 16.4 | 5% | 0.047 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59 | -46.1 | 176.4 | 171.1 | 59.9 | 0 | 0 | 0 | 111.1 | Y145 L669 L675 S710 L716 L717 | Y145-L713 HydrophobicContact CE2-CD1 4.41Å; Y145-L713 WeakPolarHBondContact OH-CD1 3.06Å; L669-L713 HydrophobicContact CB-CD2 4.28Å; L675-L713 HydrophobicContact CD2-CB 4.02Å; L675-L713 WeakPolarHBondContact O-CD1 3.48Å; S710-L713 WeakPolarHBondContact O-CB 3.3Å; S710-L713 PolarHBondContact O-N 3.49Å; L713-L716 WeakPolarHBondContact O-CB 3.33Å; L713-L716 PolarHBondContact O-N 3.08Å; L713-L717 HydrophobicContact CD1-CD1 3.98Å; L713-L717 HydrophobicContact CD1-CG 4.18Å; L713-L717 HydrophobicContact CG-CD1 4.15Å; L713-L717 WeakPolarHBondContact O-CG 3.42Å; L713-L717 PolarHBondContact O-N 2.88Å |
| 714 | F | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.3 | -40.7 | -179.2 | -63.7 | -16.2 | 0 | 0 | 0 | 112.7 | L669 K670 L701 E704 L705 S710 C711 T712 L716 L717 L718 | L669-F714 HydrophobicContact CB-CE1 3.8Å; L669-F714 HydrophobicContact CB-CZ 4.48Å; L669-F714 HydrophobicContact CD1-CE1 4.19Å; K670-F714 HydrophobicContact CD-CZ 4.45Å; K670-F714 HydrophobicContact CG-CE2 4.21Å; K670-F714 HydrophobicContact CG-CZ 3.68Å; L701-F714 HydrophobicContact CD2-CB 4.04Å; L701-F714 HydrophobicContact CD2-CD1 3.41Å; L701-F714 VanDerWaalsContact CD2-CD1 3.41Å; L701-F714 HydrophobicContact CD2-CE1 3.88Å; L701-F714 HydrophobicContact CD2-CG 3.75Å; E704-F714 HydrophobicContact CB-CD2 3.42Å; E704-F714 VanDerWaalsContact CB-CD2 3.42Å; E704-F714 HydrophobicContact CB-CE2 3.38Å; E704-F714 HydrophobicContact CG-CD2 4.4Å; E704-F714 HydrophobicContact CG-CE2 3.94Å; L705-F714 HydrophobicContact CD2-CB 4.05Å; S710-F714 PolarHBondContact O-N 3.22Å; C711-F714 PolarHBondContact O-N 3.42Å; T712-F714 VanDerWaalsContact C-N 3.34Å; T712-F714 PolarHBondContact O-N 3.28Å; F714-L716 VanDerWaalsContact C-N 3.34Å; F714-L716 PolarHBondContact O-N 3.32Å; F714-L717 PolarHBondContact O-N 3.05Å; F714-L718 WeakPolarHBondContact O-CB 2.86Å; F714-L718 VanDerWaalsContact O-CG 3.3Å; F714-L718 WeakPolarHBondContact O-CG 3.38Å; F714-L718 PolarHBondContact O-N 3.03Å |
| 715 | A | 93.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 16.5 Ų | 16.5 | 3% | 0.033 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.6 | -32.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V123 F130 L705 C711 T712 E719 | V123-A715 HydrophobicContact CG1-CB 4.49Å; F130-A715 HydrophobicContact CE1-CB 4.48Å; F130-A715 HydrophobicContact CE2-CB 4.33Å; F130-A715 HydrophobicContact CZ-CB 3.56Å; L705-A715 HydrophobicContact CD2-CB 3.83Å; C711-A715 VanDerWaalsContact O-CB 3.25Å; C711-A715 WeakPolarHBondContact O-CB 3.48Å; C711-A715 PolarHBondContact O-N 3.1Å; T712-A715 PolarHBondContact O-N 3.42Å; A715-E719 WeakPolarHBondContact O-CB 3.38Å; A715-E719 PolarHBondContact O-N 3.35Å |
| 716 | L | 95.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | 172.3 | -73.8 | 171 | 0 | 0 | 0 | 112.3 | F130 L138 A141 R142 Y145 L675 T712 L713 F714 L718 E719 A720 | F130-L716 HydrophobicContact CD1-CD2 4.47Å; F130-L716 HydrophobicContact CD2-CD2 4.22Å; F130-L716 HydrophobicContact CE1-CD2 4.31Å; F130-L716 HydrophobicContact CE1-CG 4.41Å; F130-L716 HydrophobicContact CE2-CD2 4.05Å; F130-L716 HydrophobicContact CE2-CG 4.5Å; F130-L716 HydrophobicContact CG-CD2 4.41Å; F130-L716 HydrophobicContact CZ-CD2 4.07Å; F130-L716 HydrophobicContact CZ-CG 4.12Å; L138-L716 HydrophobicContact CG-CD1 4.39Å; L138-L716 HydrophobicContact CG-CD2 4.42Å; A141-L716 HydrophobicContact CB-CD1 4.04Å; R142-L716 HydrophobicContact CG-CD2 3.22Å; Y145-L716 HydrophobicContact CD2-CB 4.35Å; Y145-L716 HydrophobicContact CE2-CB 4.33Å; L675-L716 HydrophobicContact CB-CD1 4.3Å; L675-L716 HydrophobicContact CD1-CD1 4.06Å; L675-L716 HydrophobicContact CD2-CD1 4.27Å; L675-L716 HydrophobicContact CG-CD1 4.46Å; T712-L716 HydrophobicContact CG2-CD1 4.13Å; T712-L716 WeakPolarHBondContact O-CB 3.48Å; T712-L716 VanDerWaalsContact O-CG 3.23Å; T712-L716 WeakPolarHBondContact O-CG 3.12Å; T712-L716 PolarHBondContact O-N 2.73Å; L713-L716 WeakPolarHBondContact O-CB 3.33Å; L713-L716 PolarHBondContact O-N 3.08Å; F714-L716 VanDerWaalsContact C-N 3.34Å; F714-L716 PolarHBondContact O-N 3.32Å; L716-L718 VanDerWaalsContact C-N 3.33Å; L716-E719 PolarHBondContact O-N 3.09Å; L716-A720 WeakPolarHBondContact O-CB 3.4Å; L716-A720 PolarHBondContact O-N 3.47Å |
| 717 | L | 97.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 176.2 | -74.3 | 170.4 | 0 | 0 | 0 | 111.6 | Y145 L669 L684 F697 L701 L713 F714 A720 Y721 | Y145-L717 HydrophobicContact CD1-CD2 4.07Å; Y145-L717 HydrophobicContact CD2-CD2 4.47Å; Y145-L717 HydrophobicContact CE1-CD2 3.57Å; Y145-L717 HydrophobicContact CE2-CD2 4.01Å; Y145-L717 HydrophobicContact CE2-CG 4.34Å; Y145-L717 HydrophobicContact CG-CD2 4.5Å; L669-L717 HydrophobicContact CD1-CD1 3.79Å; L684-L717 HydrophobicContact CB-CD2 4.26Å; F697-L717 HydrophobicContact CZ-CB 4.18Å; F697-L717 HydrophobicContact CZ-CD1 4.44Å; F697-L717 HydrophobicContact CZ-CD2 4.5Å; L701-L717 HydrophobicContact CD1-CB 3.71Å; L701-L717 HydrophobicContact CD1-CD1 4.43Å; L701-L717 HydrophobicContact CD2-CD1 4.44Å; L713-L717 HydrophobicContact CD1-CD1 3.98Å; L713-L717 HydrophobicContact CD1-CG 4.18Å; L713-L717 HydrophobicContact CG-CD1 4.15Å; L713-L717 WeakPolarHBondContact O-CG 3.42Å; L713-L717 PolarHBondContact O-N 2.88Å; F714-L717 PolarHBondContact O-N 3.05Å; L717-A720 PolarHBondContact O-N 2.78Å; L717-Y721 VanDerWaalsContact O-CB 3.3Å; L717-Y721 WeakPolarHBondContact O-CB 3.23Å; L717-Y721 PolarHBondContact O-N 3.4Å |
| 718 | L | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67 | -41.5 | 174.4 | -76.3 | 170.3 | 0 | 0 | 0 | 112.5 | V123 F698 L701 R702 L705 F714 L716 A720 Y721 C722 | V123-L718 HydrophobicContact CG1-CD1 4.36Å; V123-L718 HydrophobicContact CG2-CB 3.87Å; F698-L718 HydrophobicContact CD2-CD2 3.57Å; F698-L718 HydrophobicContact CE2-CD2 4.09Å; F698-L718 HydrophobicContact CG-CD2 4.28Å; L701-L718 HydrophobicContact CB-CD1 3.93Å; L701-L718 HydrophobicContact CB-CD2 3.85Å; L701-L718 HydrophobicContact CB-CG 3.74Å; L701-L718 HydrophobicContact CD1-CD2 4.15Å; L701-L718 HydrophobicContact CD1-CG 3.98Å; R702-L718 HydrophobicContact CB-CD1 4.37Å; L705-L718 HydrophobicContact CD1-CD1 3.7Å; L705-L718 HydrophobicContact CD2-CD1 4.17Å; L705-L718 HydrophobicContact CG-CD1 4.09Å; F714-L718 WeakPolarHBondContact O-CB 2.86Å; F714-L718 VanDerWaalsContact O-CG 3.3Å; F714-L718 WeakPolarHBondContact O-CG 3.38Å; F714-L718 PolarHBondContact O-N 3.03Å; L716-L718 VanDerWaalsContact C-N 3.33Å; L718-A720 VanDerWaalsContact C-N 3.33Å; L718-A720 PolarHBondContact O-N 3.36Å; L718-Y721 PolarHBondContact O-N 2.92Å; L718-C722 VanDerWaalsContact O-CB 3.3Å; L718-C722 WeakPolarHBondContact O-CB 3.25Å; L718-C722 PolarHBondContact O-N 3.05Å; L718-C722 PolarHBondContact O-SG 3.21Å |
| 719 | E | 97 | Very high | 92.7 | Very high | 5 Ų | 5 | 12.8 Ų | 12.8 | 2% | 0.023 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -55.9 | -51 | 172.9 | -176.2 | -166.6 | -175.2 | 0 | 0 | 109.6 | I119 V127 F130 R142 A715 L716 C722 R723 | I119-E719 HydrophobicContact CG2-CG 4.3Å; V127-E719 HydrophobicContact CG1-CG 4.39Å; V127-E719 WeakPolarHBondContact CG1-OE1 3.36Å; V127-E719 HydrophobicContact CG2-CG 4.49Å; F130-E719 HydrophobicContact CE2-CB 4.42Å; R142-E719 IonicContact CZ-OE1 2.81Å; R142-E719 IonicContact CZ-OE2 2.86Å; R142-E719 IonicContact NE-OE1 2.97Å; R142-E719 IonicContact NE-OE2 3.5Å; R142-E719 PolarHBondContact NE-OE2 3.43Å; R142-E719 IonicContact NH2-OE1 3.31Å; R142-E719 PolarHBondContact NH2-OE1 2.94Å; R142-E719 IonicContact NH2-OE2 3.52Å; A715-E719 WeakPolarHBondContact O-CB 3.38Å; A715-E719 PolarHBondContact O-N 3.35Å; L716-E719 PolarHBondContact O-N 3.09Å; E719-C722 PolarHBondContact O-N 3.45Å; E719-R723 WeakPolarHBondContact O-CG 3.5Å; E719-R723 PolarHBondContact O-N 2.9Å; E719-R723 IonicContact OE1-CZ 3.77Å; E719-R723 IonicContact OE1-NE 2.93Å; E719-R723 PolarHBondContact OE1-NE 3.29Å; E719-R723 IonicContact OE1-NH2 3.38Å; E719-R723 PolarHBondContact OE1-NH2 3.2Å |
| 720 | A | 97.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 17.2 Ų | 17.2 | 5% | 0.05 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.5 | -45.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y145 C149 L684 L716 L717 L718 R723 G724 | Y145-A720 HydrophobicContact CG-CB 4.45Å; C149-A720 PolarHBondContact SG-O 3.12Å; L684-A720 HydrophobicContact CD1-CB 4.22Å; L684-A720 HydrophobicContact CD2-CB 3.74Å; L716-A720 WeakPolarHBondContact O-CB 3.4Å; L716-A720 PolarHBondContact O-N 3.47Å; L717-A720 PolarHBondContact O-N 2.78Å; L718-A720 VanDerWaalsContact C-N 3.33Å; L718-A720 PolarHBondContact O-N 3.36Å; A720-R723 PolarHBondContact O-N 3.14Å; A720-G724 PolarHBondContact O-N 3.31Å |
| 721 | Y | 98.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.9 | -50.8 | 175.6 | 174.4 | -104.1 | 0 | 0 | 0 | 111.1 | A687 L688 G694 F697 F698 L717 L718 R723 G724 V725 L732 | A687-Y721 HydrophobicContact CB-CD2 4.22Å; A687-Y721 HydrophobicContact CB-CE2 4.27Å; L688-Y721 HydrophobicContact CD2-CD2 3.8Å; L688-Y721 HydrophobicContact CD2-CE2 4.24Å; L688-Y721 HydrophobicContact CG-CD2 4.29Å; G694-Y721 WeakPolarHBondContact CA-OH 3.38Å; G694-Y721 VanDerWaalsContact O-CZ 3.31Å; G694-Y721 PolarHBondContact O-OH 3.47Å; G694-Y721 VanDerWaalsContact O-OH 3.13Å; F697-Y721 HydrophobicContact CD1-CD2 4.29Å; F697-Y721 HydrophobicContact CD1-CG 4.33Å; F698-Y721 HydrophobicContact CB-CD1 4.27Å; F698-Y721 HydrophobicContact CB-CE1 3.8Å; F698-Y721 HydrophobicContact CD2-CD1 4.18Å; F698-Y721 HydrophobicContact CD2-CE1 4.15Å; F698-Y721 HydrophobicContact CG-CE1 4.34Å; L717-Y721 VanDerWaalsContact O-CB 3.3Å; L717-Y721 WeakPolarHBondContact O-CB 3.23Å; L717-Y721 PolarHBondContact O-N 3.4Å; L718-Y721 PolarHBondContact O-N 2.92Å; Y721-R723 VanDerWaalsContact C-N 3.28Å; Y721-R723 PolarHBondContact O-N 3.12Å; Y721-G724 CarbonylContact O-C 3.59Å; Y721-G724 PolarHBondContact O-N 2.65Å; Y721-V725 HydrophobicContact CE1-CB 4.35Å; Y721-V725 HydrophobicContact CE1-CG2 4.13Å; Y721-V725 HydrophobicContact CE2-CB 4.3Å; Y721-V725 HydrophobicContact CE2-CG2 3.92Å; Y721-V725 WeakPolarHBondContact O-CB 2.8Å; Y721-V725 PolarHBondContact O-N 3.49Å; Y721-V725 WeakPolarHBondContact OH-CG2 3.47Å; Y721-L732 HydrophobicContact CE1-CD1 3.72Å |
| 722 | C | 97.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.9 | -34.7 | 179.4 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | I119 L718 E719 L729 | I119-C722 HydrophobicContact CB-CB 4.34Å; I119-C722 HydrophobicContact CG1-CB 3.79Å; I119-C722 HydrophobicContact CG2-CB 4.04Å; L718-C722 VanDerWaalsContact O-CB 3.3Å; L718-C722 WeakPolarHBondContact O-CB 3.25Å; L718-C722 PolarHBondContact O-N 3.05Å; L718-C722 PolarHBondContact O-SG 3.21Å; E719-C722 PolarHBondContact O-N 3.45Å; C722-L729 HydrophobicContact CB-CD1 3.73Å |
| 723 | R | 95.1 | Very high | 94.6 | Very high | 11 Ų | 11 | 16.2 Ų | 16.2 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.8 | -38.2 | 172.4 | -73.6 | -177.7 | -173.3 | -64.3 | -2.6 | 112.7 | N116 I119 F146 L308 E719 A720 Y721 | N116-R723 VanDerWaalsContact OD1-CZ 3.32Å; N116-R723 PolarHBondContact OD1-NH1 3.07Å; N116-R723 PolarHBondContact OD1-NH2 3.24Å; I119-R723 HydrophobicContact CD1-CG 3.46Å; I119-R723 VanDerWaalsContact CD1-CG 3.46Å; F146-R723 HydrophobicContact CE2-CB 4.46Å; L308-R723 WeakPolarHBondContact CD1-O 3.46Å; E719-R723 WeakPolarHBondContact O-CG 3.5Å; E719-R723 PolarHBondContact O-N 2.9Å; E719-R723 IonicContact OE1-CZ 3.77Å; E719-R723 IonicContact OE1-NE 2.93Å; E719-R723 PolarHBondContact OE1-NE 3.29Å; E719-R723 IonicContact OE1-NH2 3.38Å; E719-R723 PolarHBondContact OE1-NH2 3.2Å; A720-R723 PolarHBondContact O-N 3.14Å; Y721-R723 VanDerWaalsContact C-N 3.28Å; Y721-R723 PolarHBondContact O-N 3.12Å |
| 724 | G | 94.6 | Very high | 94.7 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 9% | 0.093 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -89.5 | -16.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R156 A720 Y721 G726 | R156-G724 PolarHBondContact NH1-O 3.24Å; A720-G724 PolarHBondContact O-N 3.31Å; Y721-G724 CarbonylContact O-C 3.59Å; Y721-G724 PolarHBondContact O-N 2.65Å; G724-G726 VanDerWaalsContact C-N 3.35Å; G724-G726 PolarHBondContact O-N 2.82Å |
| 725 | V | 92.5 | Very high | 94.8 | Very high | 17 Ų | 17 | 20.8 Ų | 20.8 | 10% | 0.103 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -72.4 | -27.3 | -170.3 | 78.2 | 0 | 0 | 0 | 0 | 113.1 | L688 Y721 Y728 L729 L732 | L688-V725 HydrophobicContact CD2-CB 4.49Å; Y721-V725 HydrophobicContact CE1-CB 4.35Å; Y721-V725 HydrophobicContact CE1-CG2 4.13Å; Y721-V725 HydrophobicContact CE2-CB 4.3Å; Y721-V725 HydrophobicContact CE2-CG2 3.92Å; Y721-V725 WeakPolarHBondContact O-CB 2.8Å; Y721-V725 PolarHBondContact O-N 3.49Å; Y721-V725 WeakPolarHBondContact OH-CG2 3.47Å; V725-Y728 HydrophobicContact CG2-CD1 3.9Å; V725-Y728 HydrophobicContact CG2-CG 4.45Å; V725-L729 HydrophobicContact CG1-CB 3.83Å; V725-L732 HydrophobicContact CG1-CD1 4.49Å |
| 726 | G | 89.8 | Confident | 94.8 | Very high | 10 Ų | 10 | 20.8 Ų | 20.8 | 10% | 0.103 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -140.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | G724 Y728 L729 | G724-G726 VanDerWaalsContact C-N 3.35Å; G724-G726 PolarHBondContact O-N 2.82Å; G726-Y728 PolarHBondContact O-N 2.57Å; G726-Y728 VanDerWaalsContact O-N 3.1Å; G726-L729 WeakPolarHBondContact O-CB 3.29Å; G726-L729 PolarHBondContact O-N 3.24Å |
| 727 | V | 88.6 | Confident | 94.7 | Very high | 55 Ų | 55 | 23.1 Ų | 23.1 | 33% | 0.333 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -32.1 | -174.6 | -175.1 | 0 | 0 | 0 | 0 | 112.8 | W306 L729 K730 | W306-V727 HydrophobicContact CB-CG2 3.74Å; W306-V727 HydrophobicContact CE3-CB 4.46Å; W306-V727 HydrophobicContact CE3-CG2 4.29Å; V727-L729 PolarHBondContact O-N 3.13Å; V727-L729 VanDerWaalsContact O-N 3.08Å; V727-K730 PolarHBondContact O-N 2.86Å; V727-K730 VanDerWaalsContact O-N 3.11Å |
| 728 | Y | 91.7 | Very high | 94.6 | Very high | 45 Ų | 45 | 23.2 Ų | 23.2 | 18% | 0.176 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.5 | -19.3 | -179.8 | -168 | -118.8 | 0 | 0 | 0 | 113.8 | H695 V725 G726 K730 S731 L732 Q735 H782 | H695-Y728 AromaticContact ND1-CZ 3.93Å; H695-Y728 PolarHBondContact ND1-OH 2.77Å; V725-Y728 HydrophobicContact CG2-CD1 3.9Å; V725-Y728 HydrophobicContact CG2-CG 4.45Å; G726-Y728 PolarHBondContact O-N 2.57Å; G726-Y728 VanDerWaalsContact O-N 3.1Å; Y728-K730 PolarHBondContact O-N 3.04Å; Y728-S731 WeakPolarHBondContact O-CA 3.34Å; Y728-S731 WeakPolarHBondContact O-CB 3.43Å; Y728-S731 PolarHBondContact O-N 3.22Å; Y728-L732 HydrophobicContact CD1-CD1 4.02Å; Y728-L732 HydrophobicContact CD1-CD2 4.23Å; Y728-L732 HydrophobicContact CD1-CG 3.87Å; Y728-L732 HydrophobicContact CE1-CD1 4.18Å; Y728-L732 HydrophobicContact CE1-CD2 3.57Å; Y728-L732 HydrophobicContact CE1-CG 3.73Å; Y728-L732 PolarHBondContact O-N 3.05Å; Y728-Q735 PolarHBondContact OH-NE2 3.48Å; Y728-H782 WeakPolarHBondContact OH-CB 3.25Å |
| 729 | L | 94.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.7 | -39.2 | 173.1 | 177.5 | 58.3 | 0 | 0 | 0 | 111.9 | L118 I119 A122 W306 C722 V725 G726 V727 S731 L732 V733 | L118-L729 HydrophobicContact CB-CD2 3.92Å; L118-L729 HydrophobicContact CB-CG 4.25Å; I119-L729 HydrophobicContact CG1-CD2 4.08Å; A122-L729 HydrophobicContact CB-CD1 3.98Å; W306-L729 HydrophobicContact CZ2-CD2 4.49Å; C722-L729 HydrophobicContact CB-CD1 3.73Å; V725-L729 HydrophobicContact CG1-CB 3.83Å; G726-L729 WeakPolarHBondContact O-CB 3.29Å; G726-L729 PolarHBondContact O-N 3.24Å; V727-L729 PolarHBondContact O-N 3.13Å; V727-L729 VanDerWaalsContact O-N 3.08Å; L729-S731 VanDerWaalsContact C-N 3.32Å; L729-S731 PolarHBondContact O-N 3.5Å; L729-L732 PolarHBondContact O-N 3.47Å; L729-V733 HydrophobicContact CD1-CG2 4.45Å; L729-V733 WeakPolarHBondContact O-CG2 3.49Å; L729-V733 PolarHBondContact O-N 3.44Å |
| 730 | K | 92.6 | Very high | 94.3 | Very high | 119 Ų | 119 | 25.2 Ų | 25.2 | 52% | 0.517 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 176.7 | -71.9 | 176.2 | 171.6 | 169.7 | 0 | 111.7 | W306 V727 Y728 V733 R734 | W306-K730 HydrophobicContact CH2-CG 4.48Å; W306-K730 HydrophobicContact CZ3-CD 3.98Å; W306-K730 HydrophobicContact CZ3-CG 4.05Å; V727-K730 PolarHBondContact O-N 2.86Å; V727-K730 VanDerWaalsContact O-N 3.11Å; Y728-K730 PolarHBondContact O-N 3.04Å; K730-V733 PolarHBondContact O-N 3.13Å; K730-R734 WeakPolarHBondContact O-CG 3.49Å; K730-R734 PolarHBondContact O-N 2.97Å; K730-R734 VanDerWaalsContact O-N 3.14Å |
| 731 | S | 93.6 | Very high | 94.1 | Very high | 16 Ų | 16 | 25.7 Ų | 25.7 | 11% | 0.112 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.2 | -45.7 | 175.1 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | Y728 L729 V733 R734 Q735 D777 | Y728-S731 WeakPolarHBondContact O-CA 3.34Å; Y728-S731 WeakPolarHBondContact O-CB 3.43Å; Y728-S731 PolarHBondContact O-N 3.22Å; L729-S731 VanDerWaalsContact C-N 3.32Å; L729-S731 PolarHBondContact O-N 3.5Å; S731-V733 VanDerWaalsContact C-N 3.33Å; S731-V733 PolarHBondContact O-N 2.92Å; S731-R734 WeakPolarHBondContact O-CB 3.36Å; S731-R734 PolarHBondContact O-N 3.15Å; S731-Q735 WeakPolarHBondContact O-CG 3.36Å; S731-Q735 PolarHBondContact O-N 2.84Å; S731-Q735 PolarHBondContact OG-NE2 3.21Å; S731-D777 WeakPolarHBondContact CB-OD2 3.36Å; S731-D777 WeakPolarHBondContact OG-CB 3.43Å; S731-D777 VanDerWaalsContact OG-CG 3.32Å; S731-D777 PolarHBondContact OG-OD2 2.95Å |
| 732 | L | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.1 | -43.4 | 175.9 | -68.4 | 172.8 | 0 | 0 | 0 | 112.5 | F698 Y721 V725 Y728 L729 R734 Q735 V736 | F698-L732 HydrophobicContact CD1-CD2 3.74Å; F698-L732 HydrophobicContact CD2-CD1 4.05Å; F698-L732 HydrophobicContact CD2-CD2 4.45Å; F698-L732 HydrophobicContact CE1-CD2 3.99Å; F698-L732 HydrophobicContact CE2-CD1 4.28Å; F698-L732 HydrophobicContact CG-CD1 4.3Å; F698-L732 HydrophobicContact CG-CD2 3.99Å; F698-L732 HydrophobicContact CZ-CB 4.37Å; F698-L732 HydrophobicContact CZ-CD2 4.45Å; Y721-L732 HydrophobicContact CE1-CD1 3.72Å; V725-L732 HydrophobicContact CG1-CD1 4.49Å; Y728-L732 HydrophobicContact CD1-CD1 4.02Å; Y728-L732 HydrophobicContact CD1-CD2 4.23Å; Y728-L732 HydrophobicContact CD1-CG 3.87Å; Y728-L732 HydrophobicContact CE1-CD1 4.18Å; Y728-L732 HydrophobicContact CE1-CD2 3.57Å; Y728-L732 HydrophobicContact CE1-CG 3.73Å; Y728-L732 PolarHBondContact O-N 3.05Å; L729-L732 PolarHBondContact O-N 3.47Å; L732-R734 VanDerWaalsContact C-N 3.34Å; L732-R734 PolarHBondContact O-N 3.16Å; L732-Q735 PolarHBondContact O-N 3.02Å; L732-V736 WeakPolarHBondContact O-CG2 3.48Å; L732-V736 PolarHBondContact O-N 2.63Å |
| 733 | V | 95 | Very high | 93.8 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 16% | 0.164 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 176 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L118 Q121 A122 L729 K730 S731 V736 N737 | L118-V733 HydrophobicContact CB-CG2 4.37Å; L118-V733 HydrophobicContact CD2-CG2 4.27Å; L118-V733 WeakPolarHBondContact O-CG2 3.39Å; Q121-V733 HydrophobicContact CB-CG1 4.14Å; Q121-V733 HydrophobicContact CB-CG2 4.31Å; A122-V733 HydrophobicContact CB-CG2 3.97Å; L729-V733 HydrophobicContact CD1-CG2 4.45Å; L729-V733 WeakPolarHBondContact O-CG2 3.49Å; L729-V733 PolarHBondContact O-N 3.44Å; K730-V733 PolarHBondContact O-N 3.13Å; S731-V733 VanDerWaalsContact C-N 3.33Å; S731-V733 PolarHBondContact O-N 2.92Å; V733-V736 PolarHBondContact O-N 3.4Å; V733-N737 WeakPolarHBondContact O-CB 3.21Å; V733-N737 PolarHBondContact O-N 3.19Å |
| 734 | R | 95.2 | Very high | 93.7 | Very high | 105 Ų | 105 | 26 Ų | 26 | 40% | 0.396 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.4 | -42 | 175.8 | -70.7 | -176.3 | 69.5 | -147.8 | -3.5 | 112.1 | K730 S731 L732 N737 A738 Q774 N775 | K730-R734 WeakPolarHBondContact O-CG 3.49Å; K730-R734 PolarHBondContact O-N 2.97Å; K730-R734 VanDerWaalsContact O-N 3.14Å; S731-R734 WeakPolarHBondContact O-CB 3.36Å; S731-R734 PolarHBondContact O-N 3.15Å; L732-R734 VanDerWaalsContact C-N 3.34Å; L732-R734 PolarHBondContact O-N 3.16Å; R734-N737 PolarHBondContact O-N 3.25Å; R734-A738 PolarHBondContact O-N 3.49Å; R734-Q774 PolarHBondContact NH2-O 2.97Å; R734-N775 VanDerWaalsContact CZ-O 3.25Å; R734-N775 PolarHBondContact NH1-O 2.99Å; R734-N775 PolarHBondContact NH2-O 3.48Å |
| 735 | Q | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 175.5 | -67.8 | 171.7 | 26.8 | 0 | 0 | 111.8 | H695 W699 Y728 S731 L732 A738 V739 D777 P779 | H695-Q735 PolarHBondContact CE1-OE1 2.98Å; H695-Q735 VanDerWaalsContact CE1-OE1 3.23Å; W699-Q735 HydrophobicContact CZ2-CB 4.03Å; Y728-Q735 PolarHBondContact OH-NE2 3.48Å; S731-Q735 WeakPolarHBondContact O-CG 3.36Å; S731-Q735 PolarHBondContact O-N 2.84Å; S731-Q735 PolarHBondContact OG-NE2 3.21Å; L732-Q735 PolarHBondContact O-N 3.02Å; Q735-A738 WeakPolarHBondContact O-CB 3.35Å; Q735-A738 PolarHBondContact O-N 3.36Å; Q735-V739 WeakPolarHBondContact O-CG2 3.11Å; Q735-V739 PolarHBondContact O-N 3.15Å; Q735-D777 WeakPolarHBondContact CG-O 3.42Å; Q735-P779 HydrophobicContact CB-CB 4.38Å; Q735-P779 HydrophobicContact CB-CG 3.96Å; Q735-P779 HydrophobicContact CG-CG 4.06Å |
| 736 | V | 95.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.03 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | F698 W699 L732 V733 A738 V739 E740 | F698-V736 HydrophobicContact CE1-CG2 4.07Å; F698-V736 HydrophobicContact CZ-CG2 3.9Å; W699-V736 HydrophobicContact CH2-CG2 3.95Å; W699-V736 HydrophobicContact CZ2-CG2 4.49Å; L732-V736 WeakPolarHBondContact O-CG2 3.48Å; L732-V736 PolarHBondContact O-N 2.63Å; V733-V736 PolarHBondContact O-N 3.4Å; V736-A738 PolarHBondContact O-N 2.93Å; V736-V739 PolarHBondContact O-N 3.4Å; V736-E740 HydrophobicContact CG1-CG 4.47Å; V736-E740 WeakPolarHBondContact O-CG 3.28Å; V736-E740 PolarHBondContact O-N 2.9Å |
| 737 | N | 93.2 | Very high | 93.9 | Very high | 50 Ų | 50 | 24.4 Ų | 24.4 | 27% | 0.267 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -59.1 | -46.6 | 175.5 | -175.4 | -31.9 | 0 | 0 | 0 | 111.5 | V733 R734 V739 E740 K741 | V733-N737 WeakPolarHBondContact O-CB 3.21Å; V733-N737 PolarHBondContact O-N 3.19Å; R734-N737 PolarHBondContact O-N 3.25Å; N737-V739 VanDerWaalsContact C-N 3.31Å; N737-V739 PolarHBondContact O-N 3.16Å; N737-E740 PolarHBondContact O-N 2.83Å; N737-E740 VanDerWaalsContact O-N 3.1Å; N737-K741 PolarHBondContact O-N 2.96Å; N737-K741 WeakPolarHBondContact OD1-CG 3.41Å |
| 738 | A | 95.6 | Very high | 94 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 2% | 0.017 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.2 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R734 Q735 V736 K741 L742 L773 L776 | R734-A738 PolarHBondContact O-N 3.49Å; Q735-A738 WeakPolarHBondContact O-CB 3.35Å; Q735-A738 PolarHBondContact O-N 3.36Å; V736-A738 PolarHBondContact O-N 2.93Å; A738-K741 PolarHBondContact O-N 3.44Å; A738-L742 WeakPolarHBondContact O-CB 3.44Å; A738-L742 VanDerWaalsContact O-CG 3.29Å; A738-L742 WeakPolarHBondContact O-CG 3.44Å; A738-L742 PolarHBondContact O-N 3.49Å; A738-L773 HydrophobicContact CB-CD2 3.85Å; A738-L776 HydrophobicContact CB-CD1 3.64Å |
| 739 | V | 95.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 20 Ų | 20 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 176.3 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | W699 Q735 V736 N737 T743 P779 F825 M865 I869 M871 | W699-V739 HydrophobicContact CH2-CB 4.48Å; W699-V739 HydrophobicContact CH2-CG2 3.89Å; Q735-V739 WeakPolarHBondContact O-CG2 3.11Å; Q735-V739 PolarHBondContact O-N 3.15Å; V736-V739 PolarHBondContact O-N 3.4Å; N737-V739 VanDerWaalsContact C-N 3.31Å; N737-V739 PolarHBondContact O-N 3.16Å; V739-T743 WeakPolarHBondContact O-CB 3.44Å; V739-T743 PolarHBondContact O-N 2.88Å; V739-T743 PolarHBondContact O-OG1 2.66Å; V739-P779 HydrophobicContact CG2-CB 4.38Å; V739-P779 HydrophobicContact CG2-CG 4.39Å; V739-F825 HydrophobicContact CG1-CE2 4.36Å; V739-M865 HydrophobicContact CG1-CB 4.09Å; V739-M865 HydrophobicContact CG2-SD 3.56Å; V739-M865 VanDerWaalsContact CG2-SD 3.56Å; V739-I869 HydrophobicContact CG1-CG2 4.37Å; V739-M871 HydrophobicContact CG2-CE 4.16Å |
| 740 | E | 92 | Very high | 93.9 | Very high | 41 Ų | 41 | 22.3 Ų | 22.3 | 19% | 0.192 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | 176.9 | -71.6 | -173 | 175.5 | 0 | 0 | 111.8 | R95 R702 V736 N737 L742 T743 T744 | R95-E740 IonicContact CZ-OE2 3.25Å; R95-E740 VanDerWaalsContact NH1-CD 3.27Å; R95-E740 IonicContact NH1-OE1 3.39Å; R95-E740 PolarHBondContact NH1-OE1 3.19Å; R95-E740 VanDerWaalsContact NH1-OE1 3.11Å; R95-E740 IonicContact NH1-OE2 2.68Å; R95-E740 PolarHBondContact NH1-OE2 3.43Å; R702-E740 IonicContact NH2-OE1 3.24Å; V736-E740 HydrophobicContact CG1-CG 4.47Å; V736-E740 WeakPolarHBondContact O-CG 3.28Å; V736-E740 PolarHBondContact O-N 2.9Å; N737-E740 PolarHBondContact O-N 2.83Å; N737-E740 VanDerWaalsContact O-N 3.1Å; E740-L742 PolarHBondContact O-N 2.85Å; E740-T743 WeakPolarHBondContact O-CB 3.39Å; E740-T743 PolarHBondContact O-N 2.91Å; E740-T743 VanDerWaalsContact O-N 3.13Å; E740-T744 PolarHBondContact O-N 3.02Å; E740-T744 PolarHBondContact O-OG1 2.86Å |
| 741 | K | 93.2 | Very high | 93.7 | Very high | 15 Ų | 15 | 21.7 Ų | 21.7 | 7% | 0.065 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.4 | -48.1 | 173.4 | -75.1 | -77.6 | -173.6 | -176 | 0 | 111.6 | D93 N737 A738 T743 T744 L745 D768 Y769 A772 | D93-K741 WeakPolarHBondContact OD1-CE 3.43Å; D93-K741 IonicContact OD1-NZ 3.83Å; D93-K741 PolarHBondContact OD1-NZ 3.15Å; N737-K741 PolarHBondContact O-N 2.96Å; N737-K741 WeakPolarHBondContact OD1-CG 3.41Å; A738-K741 PolarHBondContact O-N 3.44Å; K741-T743 VanDerWaalsContact C-N 3.28Å; K741-T743 PolarHBondContact O-N 3.07Å; K741-T744 PolarHBondContact O-N 2.97Å; K741-L745 WeakPolarHBondContact O-CB 3.14Å; K741-L745 PolarHBondContact O-N 3.17Å; K741-D768 IonicContact NZ-OD2 2.86Å; K741-D768 PolarHBondContact NZ-OD2 3.33Å; K741-Y769 HydrophobicContact CB-CD1 4.25Å; K741-Y769 HydrophobicContact CB-CE1 3.79Å; K741-Y769 HydrophobicContact CD-CD2 4.36Å; K741-Y769 HydrophobicContact CD-CE1 4.15Å; K741-Y769 HydrophobicContact CD-CE2 3.97Å; K741-Y769 PolarHBondContact O-OH 3.09Å; K741-A772 HydrophobicContact CG-CB 4.02Å |
| 742 | L | 95.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.1 | -33.9 | 176.6 | -71 | 173 | 0 | 0 | 0 | 112.6 | A738 E740 S746 M764 L773 L806 F825 M871 | A738-L742 WeakPolarHBondContact O-CB 3.44Å; A738-L742 VanDerWaalsContact O-CG 3.29Å; A738-L742 WeakPolarHBondContact O-CG 3.44Å; A738-L742 PolarHBondContact O-N 3.49Å; E740-L742 PolarHBondContact O-N 2.85Å; L742-S746 WeakPolarHBondContact O-CB 3.43Å; L742-S746 PolarHBondContact O-N 3.3Å; L742-M764 HydrophobicContact CD2-CE 4.26Å; L742-L773 HydrophobicContact CD1-CD2 4.19Å; L742-L773 HydrophobicContact CD2-CD1 3.92Å; L742-L773 HydrophobicContact CD2-CD2 4.15Å; L742-L773 HydrophobicContact CG-CD2 3.87Å; L742-L806 HydrophobicContact CD1-CD1 3.58Å; L742-L806 HydrophobicContact CD2-CD1 3.65Å; L742-L806 HydrophobicContact CD2-CD2 4.16Å; L742-L806 HydrophobicContact CG-CD1 4.27Å; L742-F825 HydrophobicContact CB-CD1 4.01Å; L742-F825 HydrophobicContact CB-CD2 3.92Å; L742-F825 HydrophobicContact CB-CE1 3.78Å; L742-F825 HydrophobicContact CB-CE2 3.68Å; L742-F825 HydrophobicContact CB-CG 4.07Å; L742-F825 HydrophobicContact CB-CZ 3.6Å; L742-F825 HydrophobicContact CD1-CD2 3.79Å; L742-F825 HydrophobicContact CD1-CE2 4.17Å; L742-F825 HydrophobicContact CD1-CG 4.17Å; L742-F825 HydrophobicContact CG-CD2 4.48Å; L742-F825 WeakPolarHBondContact O-CE1 3.48Å; L742-M871 HydrophobicContact CD1-CE 3.67Å |
| 743 | T | 94.2 | Very high | 92.9 | Very high | 17 Ų | 17 | 32.4 Ų | 32.4 | 10% | 0.104 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.4 | -49.3 | 175.7 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | V739 E740 K741 S746 A747 M827 I869 | V739-T743 WeakPolarHBondContact O-CB 3.44Å; V739-T743 PolarHBondContact O-N 2.88Å; V739-T743 PolarHBondContact O-OG1 2.66Å; E740-T743 WeakPolarHBondContact O-CB 3.39Å; E740-T743 PolarHBondContact O-N 2.91Å; E740-T743 VanDerWaalsContact O-N 3.13Å; K741-T743 VanDerWaalsContact C-N 3.28Å; K741-T743 PolarHBondContact O-N 3.07Å; T743-S746 PolarHBondContact O-N 3.08Å; T743-A747 PolarHBondContact O-N 3.27Å; T743-M827 HydrophobicContact CG2-SD 4.3Å; T743-I869 HydrophobicContact CG2-CD1 3.5Å; T743-I869 VanDerWaalsContact CG2-CD1 3.5Å; T743-I869 HydrophobicContact CG2-CG1 4.44Å |
| 744 | T | 91.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 178.4 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | S9 H16 F17 E740 K741 A747 A748 | S9-T744 VanDerWaalsContact C-OG1 3.3Å; S9-T744 WeakPolarHBondContact CB-OG1 3.46Å; S9-T744 PolarHBondContact O-OG1 3.22Å; S9-T744 PolarHBondContact OG-OG1 3.34Å; H16-T744 HydrophobicContact CB-CG2 4.22Å; H16-T744 WeakPolarHBondContact O-CG2 3.34Å; F17-T744 HydrophobicContact CE1-CG2 4.34Å; E740-T744 PolarHBondContact O-N 3.02Å; E740-T744 PolarHBondContact O-OG1 2.86Å; K741-T744 PolarHBondContact O-N 2.97Å; T744-A747 PolarHBondContact O-N 3.49Å; T744-A748 PolarHBondContact O-N 3.18Å |
| 745 | L | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -43.3 | 175.4 | -174.4 | 51.6 | 0 | 0 | 0 | 112.1 | F17 K741 A747 A748 V749 L760 R763 M764 Y769 | F17-L745 HydrophobicContact CZ-CD1 4.27Å; K741-L745 WeakPolarHBondContact O-CB 3.14Å; K741-L745 PolarHBondContact O-N 3.17Å; L745-A747 VanDerWaalsContact C-N 3.33Å; L745-A747 PolarHBondContact O-N 2.98Å; L745-A748 PolarHBondContact O-N 2.94Å; L745-V749 HydrophobicContact CD1-CG2 4.09Å; L745-V749 HydrophobicContact CG-CG2 4.36Å; L745-V749 WeakPolarHBondContact O-CB 3.21Å; L745-V749 WeakPolarHBondContact O-CG2 3.44Å; L745-V749 PolarHBondContact O-N 3.42Å; L745-L760 HydrophobicContact CD2-CD1 3.73Å; L745-L760 HydrophobicContact CG-CD1 4.05Å; L745-R763 HydrophobicContact CD1-CB 3.59Å; L745-R763 HydrophobicContact CD1-CG 3.89Å; L745-R763 HydrophobicContact CD2-CB 4.35Å; L745-M764 HydrophobicContact CD2-CE 4.08Å; L745-M764 HydrophobicContact CD2-CG 3.95Å; L745-Y769 HydrophobicContact CB-CE1 3.86Å; L745-Y769 HydrophobicContact CD2-CD1 4.09Å; L745-Y769 HydrophobicContact CD2-CE1 3.7Å; L745-Y769 HydrophobicContact CG-CE1 4.36Å |
| 746 | S | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -37.7 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | L742 T743 K750 | L742-S746 WeakPolarHBondContact O-CB 3.43Å; L742-S746 PolarHBondContact O-N 3.3Å; T743-S746 PolarHBondContact O-N 3.08Å; S746-K750 WeakPolarHBondContact O-CB 3.38Å; S746-K750 WeakPolarHBondContact O-CD 3.26Å; S746-K750 VanDerWaalsContact O-CG 3.29Å; S746-K750 WeakPolarHBondContact O-CG 3.35Å; S746-K750 PolarHBondContact O-N 3.06Å; S746-K750 VanDerWaalsContact O-N 3.07Å |
| 747 | A | 92.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T743 T744 L745 K750 E751 M827 | T743-A747 PolarHBondContact O-N 3.27Å; T744-A747 PolarHBondContact O-N 3.49Å; L745-A747 VanDerWaalsContact C-N 3.33Å; L745-A747 PolarHBondContact O-N 2.98Å; A747-K750 WeakPolarHBondContact O-CB 3.4Å; A747-K750 PolarHBondContact O-N 3.07Å; A747-E751 PolarHBondContact O-N 3.05Å; A747-E751 VanDerWaalsContact O-N 3.14Å; A747-M827 HydrophobicContact CB-CE 3.82Å; A747-M827 HydrophobicContact CB-SD 4.26Å |
| 748 | A | 91.9 | Very high | 92.2 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F17 T744 L745 K750 E751 S752 L759 | F17-A748 HydrophobicContact CE2-CB 3.49Å; F17-A748 VanDerWaalsContact CE2-CB 3.49Å; F17-A748 HydrophobicContact CZ-CB 3.71Å; T744-A748 PolarHBondContact O-N 3.18Å; L745-A748 PolarHBondContact O-N 2.94Å; A748-K750 PolarHBondContact O-N 3.38Å; A748-E751 PolarHBondContact O-N 3.15Å; A748-S752 WeakPolarHBondContact O-CB 3.42Å; A748-S752 PolarHBondContact O-N 2.98Å; A748-L759 HydrophobicContact CB-CD2 4.39Å |
| 749 | V | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -33.5 | 177.1 | 168.5 | 0 | 0 | 0 | 0 | 111.9 | L745 P756 L759 L760 V796 K802 L804 | L745-V749 HydrophobicContact CD1-CG2 4.09Å; L745-V749 HydrophobicContact CG-CG2 4.36Å; L745-V749 WeakPolarHBondContact O-CB 3.21Å; L745-V749 WeakPolarHBondContact O-CG2 3.44Å; L745-V749 PolarHBondContact O-N 3.42Å; V749-P756 HydrophobicContact CG1-CB 3.8Å; V749-L759 HydrophobicContact CG2-CD2 4.36Å; V749-L760 HydrophobicContact CG2-CB 4.34Å; V749-V796 HydrophobicContact CG1-CG1 4.05Å; V749-V796 HydrophobicContact CG1-CG2 3.89Å; V749-K802 PolarHBondContact O-NZ 3.38Å; V749-L804 HydrophobicContact CG1-CD2 4.17Å |
| 750 | K | 90.1 | Very high | 92.1 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 22% | 0.217 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.1 | -45.9 | 175.2 | -78.9 | 167.3 | 178.4 | 163.8 | 0 | 113.3 | S746 A747 A748 K801 K802 M827 | S746-K750 WeakPolarHBondContact O-CB 3.38Å; S746-K750 WeakPolarHBondContact O-CD 3.26Å; S746-K750 VanDerWaalsContact O-CG 3.29Å; S746-K750 WeakPolarHBondContact O-CG 3.35Å; S746-K750 PolarHBondContact O-N 3.06Å; S746-K750 VanDerWaalsContact O-N 3.07Å; A747-K750 WeakPolarHBondContact O-CB 3.4Å; A747-K750 PolarHBondContact O-N 3.07Å; A748-K750 PolarHBondContact O-N 3.38Å; K750-K801 WeakPolarHBondContact CE-O 3.35Å; K750-K802 HydrophobicContact CG-CB 4.35Å; K750-K802 HydrophobicContact CG-CD 4.46Å; K750-K802 PolarHBondContact O-NZ 3.46Å; K750-M827 HydrophobicContact CD-CE 4.13Å; K750-M827 VanDerWaalsContact NZ-CB 3.26Å; K750-M827 PolarHBondContact NZ-O 2.89Å |
| 751 | E | 88.3 | Confident | 92.3 | Very high | 105 Ų | 105 | 43 Ų | 43 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -82.2 | -14.3 | -176.7 | -66 | 176.2 | -174.8 | 0 | 0 | 113 | S6 H16 A747 A748 | S6-E751 PolarHBondContact OG-OE1 2.92Å; H16-E751 IonicContact CD2-OE2 2.77Å; H16-E751 IonicContact CE1-OE2 2.81Å; H16-E751 IonicContact NE2-OE1 3.97Å; H16-E751 IonicContact NE2-OE2 3.6Å; H16-E751 PolarHBondContact NE2-OE2 3.23Å; A747-E751 PolarHBondContact O-N 3.05Å; A747-E751 VanDerWaalsContact O-N 3.14Å; A748-E751 PolarHBondContact O-N 3.15Å |
| 752 | S | 87.1 | Confident | 92.3 | Very high | 29 Ų | 29 | 46.9 Ų | 46.9 | 20% | 0.203 | 23% | 0.227 | C | C | . | . | trans | -60.5 | 135.3 | 180 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | A748 E754 | A748-S752 WeakPolarHBondContact O-CB 3.42Å; A748-S752 PolarHBondContact O-N 2.98Å; S752-E754 PolarHBondContact OG-N 3.49Å; S752-E754 VanDerWaalsContact OG-N 3.13Å; S752-E754 PolarHBondContact OG-O 3.29Å | ||
| 753 | K | 86.9 | Confident | 92.1 | Very high | 212 Ų | 212 | 49.4 Ų | 49.4 | 92% | 0.922 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -87.9 | -18.7 | 169.7 | -62.6 | -177.4 | -178.7 | 177.7 | 0 | 112.5 | ||
| 754 | E | 85.8 | Confident | 92.2 | Very high | 124 Ų | 124 | 48.6 Ų | 48.6 | 58% | 0.579 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -83.7 | 175.9 | 177.4 | -60.7 | -176.3 | 178.4 | 0 | 0 | 110.7 | S752 P756 | S752-E754 PolarHBondContact OG-N 3.49Å; S752-E754 VanDerWaalsContact OG-N 3.13Å; S752-E754 PolarHBondContact OG-O 3.29Å; E754-P756 WeakPolarHBondContact O-CD 3.46Å; E754-P756 VanDerWaalsContact O-N 3.09Å |
| 755 | D | 92 | Very high | 92.3 | Very high | 92 Ų | 92 | 53.8 Ų | 53.8 | 49% | 0.492 | 25% | 0.251 | S | S | . | . | trans | -55.2 | 114.1 | 174.2 | 179 | 5.6 | 0 | 0 | 0 | 110.5 | L757 K758 L759 | D755-L757 PolarHBondContact O-N 3.19Å; D755-L757 PolarHBondContact OD1-N 2.75Å; D755-K758 HydrophobicContact CB-CB 3.9Å; D755-K758 PolarHBondContact O-N 3.21Å; D755-L759 PolarHBondContact O-N 2.99Å; D755-L759 VanDerWaalsContact O-N 3.14Å | ||
| 756 | P | 93 | Very high | 92.2 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 21% | 0.214 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.7 | -33.3 | -178.9 | -25.7 | 36.1 | 0 | 0 | 0 | 113.3 | V749 E754 L760 V796 | V749-P756 HydrophobicContact CG1-CB 3.8Å; E754-P756 WeakPolarHBondContact O-CD 3.46Å; E754-P756 VanDerWaalsContact O-N 3.09Å; P756-L760 WeakPolarHBondContact O-CB 3.39Å; P756-L760 PolarHBondContact O-N 3.03Å; P756-L760 VanDerWaalsContact O-N 3.08Å; P756-V796 HydrophobicContact CB-CB 4.44Å; P756-V796 HydrophobicContact CB-CG1 4.23Å; P756-V796 HydrophobicContact CB-CG2 4.2Å |
| 757 | L | 94.6 | Very high | 92.1 | Very high | 40 Ų | 40 | 58.8 Ų | 58.8 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.7 | -44.3 | 179.8 | 178.5 | 61.5 | 0 | 0 | 0 | 111.2 | D755 L759 L760 Q761 C794 | D755-L757 PolarHBondContact O-N 3.19Å; D755-L757 PolarHBondContact OD1-N 2.75Å; L757-L759 PolarHBondContact O-N 2.82Å; L757-L760 HydrophobicContact CD1-CD2 4.48Å; L757-L760 WeakPolarHBondContact O-CB 3.28Å; L757-L760 PolarHBondContact O-N 3.3Å; L757-Q761 HydrophobicContact CD1-CG 4.21Å; L757-Q761 WeakPolarHBondContact O-CG 3.27Å; L757-Q761 PolarHBondContact O-N 3.01Å; L757-C794 WeakPolarHBondContact CD1-O 3.25Å |
| 758 | K | 94.3 | Very high | 91.9 | Very high | 105 Ų | 105 | 58.8 Ų | 58.8 | 46% | 0.457 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 176.6 | -175.6 | -179.7 | 170.7 | -173.7 | 0 | 111.2 | D755 L760 Q761 E762 | D755-K758 HydrophobicContact CB-CB 3.9Å; D755-K758 PolarHBondContact O-N 3.21Å; K758-L760 VanDerWaalsContact C-N 3.33Å; K758-L760 PolarHBondContact O-N 3.39Å; K758-Q761 PolarHBondContact O-N 2.98Å; K758-E762 WeakPolarHBondContact CE-OE1 3.38Å; K758-E762 HydrophobicContact CG-CG 4.36Å; K758-E762 IonicContact NZ-OE1 3.58Å; K758-E762 WeakPolarHBondContact O-CB 3.46Å; K758-E762 WeakPolarHBondContact O-CG 3.22Å; K758-E762 PolarHBondContact O-N 3.44Å |
| 759 | L | 93.2 | Very high | 92 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 177.5 | 178.1 | 63.8 | 0 | 0 | 0 | 112.1 | A748 V749 D755 L757 R763 | A748-L759 HydrophobicContact CB-CD2 4.39Å; V749-L759 HydrophobicContact CG2-CD2 4.36Å; D755-L759 PolarHBondContact O-N 2.99Å; D755-L759 VanDerWaalsContact O-N 3.14Å; L757-L759 PolarHBondContact O-N 2.82Å; L759-R763 HydrophobicContact CD1-CG 3.86Å; L759-R763 HydrophobicContact CG-CG 4.45Å; L759-R763 WeakPolarHBondContact O-CB 3.41Å; L759-R763 VanDerWaalsContact O-CG 3.25Å; L759-R763 WeakPolarHBondContact O-CG 3.22Å; L759-R763 PolarHBondContact O-N 3.27Å; L759-R763 VanDerWaalsContact O-N 3.08Å |
| 760 | L | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.6 | -54 | 176.5 | 177.6 | 70.3 | 0 | 0 | 0 | 111 | L745 V749 P756 L757 K758 R763 M764 C794 V796 L804 | L745-L760 HydrophobicContact CD2-CD1 3.73Å; L745-L760 HydrophobicContact CG-CD1 4.05Å; V749-L760 HydrophobicContact CG2-CB 4.34Å; P756-L760 WeakPolarHBondContact O-CB 3.39Å; P756-L760 PolarHBondContact O-N 3.03Å; P756-L760 VanDerWaalsContact O-N 3.08Å; L757-L760 HydrophobicContact CD1-CD2 4.48Å; L757-L760 WeakPolarHBondContact O-CB 3.28Å; L757-L760 PolarHBondContact O-N 3.3Å; K758-L760 VanDerWaalsContact C-N 3.33Å; K758-L760 PolarHBondContact O-N 3.39Å; L760-R763 PolarHBondContact O-N 3.06Å; L760-M764 HydrophobicContact CD1-CE 3.45Å; L760-M764 VanDerWaalsContact CD1-CE 3.45Å; L760-M764 HydrophobicContact CD1-CG 4.46Å; L760-M764 HydrophobicContact CD1-SD 3.94Å; L760-M764 HydrophobicContact CG-CE 4.1Å; L760-M764 HydrophobicContact CG-SD 3.98Å; L760-M764 WeakPolarHBondContact O-CB 3.44Å; L760-M764 VanDerWaalsContact O-CG 3.3Å; L760-M764 WeakPolarHBondContact O-CG 3.39Å; L760-M764 PolarHBondContact O-N 3.47Å; L760-C794 HydrophobicContact CD2-CB 4.35Å; L760-V796 HydrophobicContact CB-CG2 4.16Å; L760-V796 HydrophobicContact CD2-CG2 3.72Å; L760-V796 HydrophobicContact CG-CG2 4.48Å; L760-L804 HydrophobicContact CD1-CD1 3.91Å; L760-L804 HydrophobicContact CD1-CD2 3.86Å; L760-L804 HydrophobicContact CD1-CG 4.36Å; L760-L804 HydrophobicContact CD2-CD2 4.38Å |
| 761 | Q | 95.5 | Very high | 92.1 | Very high | 46 Ų | 46 | 64 Ų | 64 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68 | -41.9 | -175.6 | -69.6 | 179.7 | -22.5 | 0 | 0 | 112.1 | L757 K758 R763 M764 R765 V791 | L757-Q761 HydrophobicContact CD1-CG 4.21Å; L757-Q761 WeakPolarHBondContact O-CG 3.27Å; L757-Q761 PolarHBondContact O-N 3.01Å; K758-Q761 PolarHBondContact O-N 2.98Å; Q761-R763 PolarHBondContact O-N 3.28Å; Q761-M764 PolarHBondContact O-N 3.49Å; Q761-R765 VanDerWaalsContact O-CG 3.3Å; Q761-R765 WeakPolarHBondContact O-CG 3.5Å; Q761-R765 PolarHBondContact O-N 2.92Å; Q761-R765 VanDerWaalsContact O-N 3.16Å; Q761-V791 HydrophobicContact CB-CG1 4.01Å; Q761-V791 HydrophobicContact CG-CG1 4.08Å |
| 762 | E | 93.9 | Very high | 92.3 | Very high | 96 Ų | 96 | 59.7 Ų | 59.7 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 176.3 | -75.4 | 176.6 | 168.7 | 0 | 0 | 111.7 | K758 R765 | K758-E762 WeakPolarHBondContact CE-OE1 3.38Å; K758-E762 HydrophobicContact CG-CG 4.36Å; K758-E762 IonicContact NZ-OE1 3.58Å; K758-E762 WeakPolarHBondContact O-CB 3.46Å; K758-E762 WeakPolarHBondContact O-CG 3.22Å; K758-E762 PolarHBondContact O-N 3.44Å; E762-R765 PolarHBondContact O-N 2.96Å |
| 763 | R | 92.6 | Very high | 92.7 | Very high | 55 Ų | 55 | 58.4 Ų | 58.4 | 21% | 0.208 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70 | -40.5 | 179 | -68.4 | -67.4 | 174.2 | -179.5 | -1.4 | 112.7 | F17 L745 L759 L760 Q761 R765 Q766 Y769 | F17-R763 HydrophobicContact CZ-CG 4.16Å; L745-R763 HydrophobicContact CD1-CB 3.59Å; L745-R763 HydrophobicContact CD1-CG 3.89Å; L745-R763 HydrophobicContact CD2-CB 4.35Å; L759-R763 HydrophobicContact CD1-CG 3.86Å; L759-R763 HydrophobicContact CG-CG 4.45Å; L759-R763 WeakPolarHBondContact O-CB 3.41Å; L759-R763 VanDerWaalsContact O-CG 3.25Å; L759-R763 WeakPolarHBondContact O-CG 3.22Å; L759-R763 PolarHBondContact O-N 3.27Å; L759-R763 VanDerWaalsContact O-N 3.08Å; L760-R763 PolarHBondContact O-N 3.06Å; Q761-R763 PolarHBondContact O-N 3.28Å; R763-R765 PolarHBondContact O-N 3.05Å; R763-Q766 VanDerWaalsContact NH1-OE1 3.12Å; R763-Q766 WeakPolarHBondContact O-CB 3.36Å; R763-Q766 PolarHBondContact O-N 2.91Å; R763-Y769 WeakPolarHBondContact O-CB 3.43Å |
| 764 | M | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -25.3 | 176.7 | -78.7 | -179.5 | 169.1 | 0 | 0 | 113.7 | L742 L745 L760 Q761 Q766 L770 L789 V791 C794 L806 | L742-M764 HydrophobicContact CD2-CE 4.26Å; L745-M764 HydrophobicContact CD2-CE 4.08Å; L745-M764 HydrophobicContact CD2-CG 3.95Å; L760-M764 HydrophobicContact CD1-CE 3.45Å; L760-M764 VanDerWaalsContact CD1-CE 3.45Å; L760-M764 HydrophobicContact CD1-CG 4.46Å; L760-M764 HydrophobicContact CD1-SD 3.94Å; L760-M764 HydrophobicContact CG-CE 4.1Å; L760-M764 HydrophobicContact CG-SD 3.98Å; L760-M764 WeakPolarHBondContact O-CB 3.44Å; L760-M764 VanDerWaalsContact O-CG 3.3Å; L760-M764 WeakPolarHBondContact O-CG 3.39Å; L760-M764 PolarHBondContact O-N 3.47Å; Q761-M764 PolarHBondContact O-N 3.49Å; M764-Q766 VanDerWaalsContact C-N 3.28Å; M764-L770 VanDerWaalsContact O-CD2 3.25Å; M764-L770 WeakPolarHBondContact O-CD2 3.47Å; M764-L770 VanDerWaalsContact O-CG 3.32Å; M764-L770 WeakPolarHBondContact O-CG 3.37Å; M764-L789 HydrophobicContact CB-CD2 4.28Å; M764-L789 HydrophobicContact CG-CD2 4.32Å; M764-L789 HydrophobicContact SD-CD2 4.17Å; M764-V791 HydrophobicContact CB-CG1 3.95Å; M764-V791 HydrophobicContact CB-CG2 4.08Å; M764-C794 HydrophobicContact SD-CB 4.06Å; M764-L806 HydrophobicContact CE-CD2 3.2Å; M764-L806 HydrophobicContact SD-CD2 4.5Å |
| 765 | R | 95.2 | Very high | 93.5 | Very high | 113 Ų | 113 | 49.3 Ų | 49.3 | 43% | 0.426 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -10.8 | 175.3 | -71.7 | -179.5 | -168.2 | -55.3 | 2.9 | 113.6 | Q761 E762 R763 V791 D792 | Q761-R765 VanDerWaalsContact O-CG 3.3Å; Q761-R765 WeakPolarHBondContact O-CG 3.5Å; Q761-R765 PolarHBondContact O-N 2.92Å; Q761-R765 VanDerWaalsContact O-N 3.16Å; E762-R765 PolarHBondContact O-N 2.96Å; R763-R765 PolarHBondContact O-N 3.05Å; R765-V791 HydrophobicContact CG-CG1 4.11Å; R765-D792 IonicContact CZ-OD1 3.22Å; R765-D792 IonicContact CZ-OD2 3.82Å; R765-D792 IonicContact NH2-OD1 2.89Å; R765-D792 PolarHBondContact NH2-OD1 3.45Å; R765-D792 IonicContact NH2-OD2 3.58Å; R765-D792 PolarHBondContact NH2-OD2 3.35Å |
| 766 | Q | 91.7 | Very high | 93.5 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 15% | 0.15 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -67.6 | 142.5 | 177 | -63.6 | -171.6 | -36.4 | 0 | 0 | 110 | R763 M764 D768 Y769 L770 | R763-Q766 VanDerWaalsContact NH1-OE1 3.12Å; R763-Q766 WeakPolarHBondContact O-CB 3.36Å; R763-Q766 PolarHBondContact O-N 2.91Å; M764-Q766 VanDerWaalsContact C-N 3.28Å; Q766-D768 WeakPolarHBondContact CB-OD1 3.33Å; Q766-D768 PolarHBondContact O-N 3.19Å; Q766-D768 VanDerWaalsContact O-N 3.1Å; Q766-Y769 PolarHBondContact O-N 3Å; Q766-Y769 VanDerWaalsContact O-N 3.13Å; Q766-L770 PolarHBondContact O-N 3.45Å |
| 767 | P | 91.3 | Very high | 93.5 | Very high | 72 Ų | 72 | 45.5 Ų | 45.5 | 47% | 0.468 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.8 | -24.1 | -171.6 | -21.3 | 32.5 | 0 | 0 | 0 | 113.4 | R90 E771 | R90-P767 VanDerWaalsContact NH2-C 3.34Å; R90-P767 PolarHBondContact NH2-O 3.04Å; P767-E771 WeakPolarHBondContact O-CB 3.36Å; P767-E771 PolarHBondContact O-N 3.2Å; P767-E771 VanDerWaalsContact O-N 3.15Å |
| 768 | D | 89.3 | Confident | 93.6 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -74.2 | -38.4 | 179 | 61.8 | -50 | 0 | 0 | 0 | 111.4 | R40 K741 Q766 A772 | R40-D768 IonicContact CZ-OD2 2.81Å; R40-D768 IonicContact NH1-OD1 3.7Å; R40-D768 PolarHBondContact NH1-OD1 3.3Å; R40-D768 IonicContact NH1-OD2 3Å; R40-D768 IonicContact NH2-OD1 3.66Å; R40-D768 IonicContact NH2-OD2 3.94Å; R40-D768 PolarHBondContact NH2-OD2 3.02Å; K741-D768 IonicContact NZ-OD2 2.86Å; K741-D768 PolarHBondContact NZ-OD2 3.33Å; Q766-D768 WeakPolarHBondContact CB-OD1 3.33Å; Q766-D768 PolarHBondContact O-N 3.19Å; Q766-D768 VanDerWaalsContact O-N 3.1Å; D768-A772 VanDerWaalsContact O-CB 3.3Å; D768-A772 WeakPolarHBondContact O-CB 3.49Å; D768-A772 PolarHBondContact O-N 2.79Å; D768-A772 VanDerWaalsContact O-N 3.09Å |
| 769 | Y | 93.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.4 | -43.3 | 173 | -84.8 | -95.6 | 0 | 0 | 0 | 112.1 | F17 K741 L745 R763 Q766 E771 A772 L773 | F17-Y769 HydrophobicContact CE1-CE2 4.33Å; K741-Y769 HydrophobicContact CB-CD1 4.25Å; K741-Y769 HydrophobicContact CB-CE1 3.79Å; K741-Y769 HydrophobicContact CD-CD2 4.36Å; K741-Y769 HydrophobicContact CD-CE1 4.15Å; K741-Y769 HydrophobicContact CD-CE2 3.97Å; K741-Y769 PolarHBondContact O-OH 3.09Å; L745-Y769 HydrophobicContact CB-CE1 3.86Å; L745-Y769 HydrophobicContact CD2-CD1 4.09Å; L745-Y769 HydrophobicContact CD2-CE1 3.7Å; L745-Y769 HydrophobicContact CG-CE1 4.36Å; R763-Y769 WeakPolarHBondContact O-CB 3.43Å; Q766-Y769 PolarHBondContact O-N 3Å; Q766-Y769 VanDerWaalsContact O-N 3.13Å; Y769-E771 VanDerWaalsContact C-N 3.3Å; Y769-E771 PolarHBondContact O-N 2.89Å; Y769-A772 PolarHBondContact O-N 3.04Å; Y769-L773 HydrophobicContact CD1-CD1 3.98Å; Y769-L773 VanDerWaalsContact O-CB 3.24Å; Y769-L773 WeakPolarHBondContact O-CB 3.24Å; Y769-L773 VanDerWaalsContact O-CG 3.28Å; Y769-L773 WeakPolarHBondContact O-CG 3.41Å; Y769-L773 PolarHBondContact O-N 3.32Å |
| 770 | L | 93.9 | Very high | 93.8 | Very high | 52 Ų | 52 | 38.7 Ų | 38.7 | 27% | 0.272 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.9 | -37.5 | 177.3 | -70 | 176.8 | 0 | 0 | 0 | 112.4 | M764 Q766 Q774 V791 | M764-L770 VanDerWaalsContact O-CD2 3.25Å; M764-L770 WeakPolarHBondContact O-CD2 3.47Å; M764-L770 VanDerWaalsContact O-CG 3.32Å; M764-L770 WeakPolarHBondContact O-CG 3.37Å; Q766-L770 PolarHBondContact O-N 3.45Å; L770-Q774 VanDerWaalsContact O-CB 3.22Å; L770-Q774 WeakPolarHBondContact O-CB 3.27Å; L770-Q774 WeakPolarHBondContact O-CG 3.13Å; L770-Q774 PolarHBondContact O-N 3.11Å; L770-Q774 PolarHBondContact O-NE2 3.05Å; L770-V791 HydrophobicContact CD2-CG2 4.4Å |
| 771 | E | 91.5 | Very high | 93.6 | Very high | 115 Ų | 115 | 40.8 Ų | 40.8 | 54% | 0.537 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.2 | -43 | 176.3 | -175.1 | 179.4 | 169.5 | 0 | 0 | 112 | R90 P767 Y769 | R90-E771 IonicContact CZ-OE2 2.7Å; R90-E771 IonicContact NE-OE2 3.53Å; R90-E771 PolarHBondContact NE-OE2 3.28Å; R90-E771 IonicContact NH2-OE2 3.88Å; R90-E771 PolarHBondContact NH2-OE2 2.96Å; P767-E771 WeakPolarHBondContact O-CB 3.36Å; P767-E771 PolarHBondContact O-N 3.2Å; P767-E771 VanDerWaalsContact O-N 3.15Å; Y769-E771 VanDerWaalsContact C-N 3.3Å; Y769-E771 PolarHBondContact O-N 2.89Å |
| 772 | A | 93.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 12% | 0.116 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.4 | -33.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K741 D768 Y769 | K741-A772 HydrophobicContact CG-CB 4.02Å; D768-A772 VanDerWaalsContact O-CB 3.3Å; D768-A772 WeakPolarHBondContact O-CB 3.49Å; D768-A772 PolarHBondContact O-N 2.79Å; D768-A772 VanDerWaalsContact O-N 3.09Å; Y769-A772 PolarHBondContact O-N 3.04Å |
| 773 | L | 96 | Very high | 93.3 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -102.4 | 2.7 | -171.8 | -58.1 | -177.1 | 0 | 0 | 0 | 114.5 | A738 L742 Y769 L776 L789 W808 | A738-L773 HydrophobicContact CB-CD2 3.85Å; L742-L773 HydrophobicContact CD1-CD2 4.19Å; L742-L773 HydrophobicContact CD2-CD1 3.92Å; L742-L773 HydrophobicContact CD2-CD2 4.15Å; L742-L773 HydrophobicContact CG-CD2 3.87Å; Y769-L773 HydrophobicContact CD1-CD1 3.98Å; Y769-L773 VanDerWaalsContact O-CB 3.24Å; Y769-L773 WeakPolarHBondContact O-CB 3.24Å; Y769-L773 VanDerWaalsContact O-CG 3.28Å; Y769-L773 WeakPolarHBondContact O-CG 3.41Å; Y769-L773 PolarHBondContact O-N 3.32Å; L773-L776 VanDerWaalsContact C-CD2 3.42Å; L773-L776 VanDerWaalsContact O-CD2 3.29Å; L773-L776 WeakPolarHBondContact O-CD2 3.48Å; L773-L789 HydrophobicContact CB-CD2 4.29Å; L773-L789 HydrophobicContact CD1-CD2 4.21Å; L773-W808 PolarHBondContact O-NE1 3.3Å |
| 774 | Q | 94.5 | Very high | 93.3 | Very high | 39 Ų | 39 | 33.8 Ų | 33.8 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -121.4 | 158.2 | 178.1 | -61.6 | -174 | 138.7 | 0 | 0 | 113.1 | R734 L770 L776 G787 L789 | R734-Q774 PolarHBondContact NH2-O 2.97Å; L770-Q774 VanDerWaalsContact O-CB 3.22Å; L770-Q774 WeakPolarHBondContact O-CB 3.27Å; L770-Q774 WeakPolarHBondContact O-CG 3.13Å; L770-Q774 PolarHBondContact O-N 3.11Å; L770-Q774 PolarHBondContact O-NE2 3.05Å; Q774-L776 VanDerWaalsContact C-N 3.34Å; Q774-L776 PolarHBondContact O-N 3.43Å; Q774-G787 VanDerWaalsContact CA-O 3.28Å; Q774-G787 WeakPolarHBondContact CA-O 3.42Å; Q774-G787 VanDerWaalsContact CB-O 3.25Å; Q774-G787 WeakPolarHBondContact CB-O 3.42Å; Q774-L789 HydrophobicContact CG-CB 3.8Å |
| 775 | N | 93.3 | Very high | 93.2 | Very high | 106 Ų | 106 | 34.4 Ų | 34.4 | 57% | 0.567 | 18% | 0.176 | S | C | * | . | S | Bend | trans | 51.6 | 48.4 | 176.9 | -56.7 | -51.8 | 0 | 0 | 0 | 112.6 | R734 L786 G787 | R734-N775 VanDerWaalsContact CZ-O 3.25Å; R734-N775 PolarHBondContact NH1-O 2.99Å; R734-N775 PolarHBondContact NH2-O 3.48Å; N775-L786 CarbonylContact C-O 3.57Å; N775-L786 WeakPolarHBondContact CA-O 3.26Å; N775-L786 PolarHBondContact N-O 2.9Å; N775-G787 PolarHBondContact N-O 3.37Å; N775-G787 VanDerWaalsContact N-O 3.1Å |
| 776 | L | 93.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153 | -177.9 | 73.8 | 164.6 | 0 | 0 | 0 | 111.1 | A738 L773 Q774 C778 L786 | A738-L776 HydrophobicContact CB-CD1 3.64Å; L773-L776 VanDerWaalsContact C-CD2 3.42Å; L773-L776 VanDerWaalsContact O-CD2 3.29Å; L773-L776 WeakPolarHBondContact O-CD2 3.48Å; Q774-L776 VanDerWaalsContact C-N 3.34Å; Q774-L776 PolarHBondContact O-N 3.43Å; L776-C778 PolarHBondContact O-N 3.2Å; L776-L786 HydrophobicContact CD2-CB 3.86Å; L776-L786 HydrophobicContact CD2-CD1 4.11Å; L776-L786 HydrophobicContact CG-CB 4.45Å; L776-L786 HydrophobicContact CG-CD1 4.35Å; L776-L786 PolarHBondContact N-O 3.34Å; L776-L786 WeakPolarHBondContact O-CB 3.3Å; L776-L786 PolarHBondContact O-N 3.02Å |
| 777 | D | 93.2 | Very high | 93.3 | Very high | 41 Ų | 41 | 27.7 Ų | 27.7 | 22% | 0.219 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 136.4 | 169 | -57.2 | -28.7 | 0 | 0 | 0 | 108.8 | S731 Q735 P779 | S731-D777 WeakPolarHBondContact CB-OD2 3.36Å; S731-D777 WeakPolarHBondContact OG-CB 3.43Å; S731-D777 VanDerWaalsContact OG-CG 3.32Å; S731-D777 PolarHBondContact OG-OD2 2.95Å; Q735-D777 WeakPolarHBondContact CG-O 3.42Å; D777-P779 WeakPolarHBondContact O-CD 3.38Å |
| 778 | C | 96.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | trans | -65.9 | 124.8 | -175.8 | -179.3 | 0 | 0 | 0 | 0 | 110 | L776 L780 D781 H782 L784 L786 I823 | L776-C778 PolarHBondContact O-N 3.2Å; C778-L780 PolarHBondContact O-N 3.3Å; C778-L780 PolarHBondContact SG-N 2.7Å; C778-D781 WeakPolarHBondContact CB-O 3.32Å; C778-D781 CarbonylContact O-C 3.42Å; C778-D781 PolarHBondContact O-N 2.96Å; C778-D781 VanDerWaalsContact O-N 3.15Å; C778-H782 PolarHBondContact O-N 3.37Å; C778-L784 HydrophobicContact CB-CB 3.89Å; C778-L784 HydrophobicContact CB-CD2 4.18Å; C778-L784 HydrophobicContact CB-CG 4.14Å; C778-L784 WeakPolarHBondContact CB-O 3.39Å; C778-L784 PolarHBondContact N-O 3.42Å; C778-L786 HydrophobicContact CB-CD1 4.08Å; C778-L786 HydrophobicContact CB-CD2 4.04Å; C778-L786 HydrophobicContact CB-CG 3.82Å; C778-I823 WeakPolarHBondContact SG-CD1 3.37Å | ||
| 779 | P | 96 | Very high | 93.8 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -59 | -30.5 | 176.4 | -25.1 | 34.5 | 0 | 0 | 0 | 113.3 | H695 W699 Q735 V739 D777 L863 M865 M871 | H695-P779 PolarHBondContact CE1-O 2.95Å; H695-P779 PolarHBondContact NE2-O 2.81Å; W699-P779 HydrophobicContact CZ2-CB 4.03Å; W699-P779 PolarHBondContact NE1-O 3.44Å; Q735-P779 HydrophobicContact CB-CB 4.38Å; Q735-P779 HydrophobicContact CB-CG 3.96Å; Q735-P779 HydrophobicContact CG-CG 4.06Å; V739-P779 HydrophobicContact CG2-CB 4.38Å; V739-P779 HydrophobicContact CG2-CG 4.39Å; D777-P779 WeakPolarHBondContact O-CD 3.38Å; P779-L863 WeakPolarHBondContact O-CD2 3.47Å; P779-M865 HydrophobicContact CB-CE 3.49Å; P779-M865 VanDerWaalsContact CB-CE 3.49Å; P779-M865 HydrophobicContact CB-SD 4.02Å; P779-M871 HydrophobicContact CB-CE 4.39Å; P779-M871 HydrophobicContact CB-SD 4.05Å; P779-M871 HydrophobicContact CG-CE 4.12Å; P779-M871 HydrophobicContact CG-SD 4.25Å |
| 780 | L | 95.5 | Very high | 93.9 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 9% | 0.094 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -75 | -31.7 | 178.8 | -172.2 | 62.9 | 0 | 0 | 0 | 112.9 | C778 I823 T861 L863 M871 E873 | C778-L780 PolarHBondContact O-N 3.3Å; C778-L780 PolarHBondContact SG-N 2.7Å; L780-I823 HydrophobicContact CD2-CG2 4.29Å; L780-T861 HydrophobicContact CD1-CG2 3.69Å; L780-T861 HydrophobicContact CG-CG2 4.13Å; L780-L863 HydrophobicContact CD1-CB 3.55Å; L780-M871 HydrophobicContact CB-CB 4.38Å; L780-M871 HydrophobicContact CD1-CB 4.15Å; L780-E873 HydrophobicContact CD2-CB 3.85Å |
| 781 | D | 92.4 | Very high | 94.1 | Very high | 44 Ų | 44 | 27.6 Ų | 27.6 | 24% | 0.235 | 14% | 0.144 | C | C | . | . | trans | -152.4 | 103.3 | -178.1 | -179.6 | -8.6 | 0 | 0 | 0 | 110.2 | R263 C778 T783 L784 | R263-D781 IonicContact CZ-OD2 2.74Å; R263-D781 IonicContact NH1-OD1 3.03Å; R263-D781 IonicContact NH1-OD2 3.68Å; R263-D781 PolarHBondContact NH1-OD2 3.13Å; R263-D781 IonicContact NH2-OD2 3.48Å; R263-D781 PolarHBondContact NH2-OD2 3.05Å; C778-D781 WeakPolarHBondContact CB-O 3.32Å; C778-D781 CarbonylContact O-C 3.42Å; C778-D781 PolarHBondContact O-N 2.96Å; C778-D781 VanDerWaalsContact O-N 3.15Å; D781-T783 VanDerWaalsContact CG-OG1 3.31Å; D781-T783 PolarHBondContact O-N 2.83Å; D781-T783 WeakPolarHBondContact OD1-CB 3.21Å; D781-T783 PolarHBondContact OD1-N 2.84Å; D781-T783 PolarHBondContact OD1-OG1 3.33Å; D781-T783 PolarHBondContact OD2-OG1 3.23Å; D781-L784 HydrophobicContact CB-CB 4.34Å; D781-L784 WeakPolarHBondContact O-CB 3.33Å; D781-L784 PolarHBondContact O-N 2.74Å | ||
| 782 | H | 90.3 | Very high | 94.3 | Very high | 20 Ų | 20 | 27.8 Ų | 27.8 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -16.3 | -177.9 | 76.5 | -49.5 | 0 | 0 | 0 | 115.2 | G691 T692 H695 Y728 C778 L784 | G691-H782 VanDerWaalsContact C-NE2 3.3Å; T692-H782 WeakPolarHBondContact CA-CE1 3.44Å; T692-H782 PolarHBondContact N-CE1 3.48Å; T692-H782 PolarHBondContact N-NE2 3.49Å; T692-H782 PolarHBondContact OG1-CE1 3.04Å; H695-H782 HydrophobicContact CB-CB 3.94Å; Y728-H782 WeakPolarHBondContact OH-CB 3.25Å; C778-H782 PolarHBondContact O-N 3.37Å; H782-L784 VanDerWaalsContact C-N 3.26Å |
| 783 | T | 91.5 | Very high | 94.4 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -13.1 | 176.6 | 71.6 | 0 | 0 | 0 | 0 | 111.8 | R263 E264 L265 D781 | R263-T783 CarbonylContact C-O 3.57Å; R263-T783 WeakPolarHBondContact CA-O 3.37Å; R263-T783 WeakPolarHBondContact CB-O 3.18Å; R263-T783 PolarHBondContact NH1-OG1 2.75Å; E264-T783 PolarHBondContact N-O 3.47Å; L265-T783 HydrophobicContact CD1-CG2 4.4Å; L265-T783 HydrophobicContact CD2-CG2 3.84Å; L265-T783 HydrophobicContact CG-CG2 4.09Å; D781-T783 VanDerWaalsContact CG-OG1 3.31Å; D781-T783 PolarHBondContact O-N 2.83Å; D781-T783 WeakPolarHBondContact OD1-CB 3.21Å; D781-T783 PolarHBondContact OD1-N 2.84Å; D781-T783 PolarHBondContact OD1-OG1 3.33Å; D781-T783 PolarHBondContact OD2-OG1 3.23Å |
| 784 | L | 93.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 12% | 0.115 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -100.2 | 121.1 | -179 | -179.5 | 64.1 | 0 | 0 | 0 | 109.9 | G262 C778 D781 H782 L786 T810 V821 | G262-L784 WeakPolarHBondContact O-CD1 3.21Å; C778-L784 HydrophobicContact CB-CB 3.89Å; C778-L784 HydrophobicContact CB-CD2 4.18Å; C778-L784 HydrophobicContact CB-CG 4.14Å; C778-L784 WeakPolarHBondContact CB-O 3.39Å; C778-L784 PolarHBondContact N-O 3.42Å; D781-L784 HydrophobicContact CB-CB 4.34Å; D781-L784 WeakPolarHBondContact O-CB 3.33Å; D781-L784 PolarHBondContact O-N 2.74Å; H782-L784 VanDerWaalsContact C-N 3.26Å; L784-L786 HydrophobicContact CD2-CD2 4.31Å; L784-L786 HydrophobicContact CG-CD2 4.38Å; L784-T810 HydrophobicContact CD1-CG2 3.78Å; L784-V821 HydrophobicContact CD1-CG2 4.01Å; L784-V821 HydrophobicContact CD2-CG1 3.66Å; L784-V821 HydrophobicContact CD2-CG2 4.09Å; L784-V821 HydrophobicContact CG-CG2 4.43Å |
| 785 | S | 92.1 | Very high | 94.5 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 116.5 | 175.3 | -57.4 | 0 | 0 | 0 | 0 | 110.5 | T810 A811 | S785-T810 WeakPolarHBondContact O-CA 3.15Å; S785-A811 PolarHBondContact O-N 3.13Å |
| 786 | L | 95.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 121.6 | 176.5 | -55.6 | 178.7 | 0 | 0 | 0 | 109.1 | N775 L776 C778 L784 W808 V821 I823 | N775-L786 CarbonylContact C-O 3.57Å; N775-L786 WeakPolarHBondContact CA-O 3.26Å; N775-L786 PolarHBondContact N-O 2.9Å; L776-L786 HydrophobicContact CD2-CB 3.86Å; L776-L786 HydrophobicContact CD2-CD1 4.11Å; L776-L786 HydrophobicContact CG-CB 4.45Å; L776-L786 HydrophobicContact CG-CD1 4.35Å; L776-L786 PolarHBondContact N-O 3.34Å; L776-L786 WeakPolarHBondContact O-CB 3.3Å; L776-L786 PolarHBondContact O-N 3.02Å; C778-L786 HydrophobicContact CB-CD1 4.08Å; C778-L786 HydrophobicContact CB-CD2 4.04Å; C778-L786 HydrophobicContact CB-CG 3.82Å; L784-L786 HydrophobicContact CD2-CD2 4.31Å; L784-L786 HydrophobicContact CG-CD2 4.38Å; L786-W808 HydrophobicContact CB-CG 4.16Å; L786-W808 HydrophobicContact CD1-CD2 4.12Å; L786-W808 HydrophobicContact CD1-CE3 4.35Å; L786-W808 HydrophobicContact CD1-CH2 4.33Å; L786-W808 HydrophobicContact CD1-CZ2 4.16Å; L786-W808 HydrophobicContact CD1-CZ3 4.44Å; L786-W808 HydrophobicContact CD2-CB 4.26Å; L786-W808 HydrophobicContact CD2-CD2 4.26Å; L786-W808 HydrophobicContact CD2-CE3 4.31Å; L786-W808 HydrophobicContact CD2-CG 4.27Å; L786-V821 HydrophobicContact CD2-CB 4.29Å; L786-V821 HydrophobicContact CD2-CG1 3.76Å; L786-I823 HydrophobicContact CD2-CD1 4.4Å |
| 787 | G | 94.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -116 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q774 N775 R809 | Q774-G787 VanDerWaalsContact CA-O 3.28Å; Q774-G787 WeakPolarHBondContact CA-O 3.42Å; Q774-G787 VanDerWaalsContact CB-O 3.25Å; Q774-G787 WeakPolarHBondContact CB-O 3.42Å; N775-G787 PolarHBondContact N-O 3.37Å; N775-G787 VanDerWaalsContact N-O 3.1Å; G787-R809 WeakPolarHBondContact CA-O 3.46Å; G787-R809 PolarHBondContact N-O 3.05Å |
| 788 | E | 94.3 | Very high | 94.1 | Very high | 94 Ų | 94 | 36.9 Ų | 36.9 | 44% | 0.439 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 134.5 | 179.9 | -175.7 | -176.8 | -177.5 | 0 | 0 | 111.4 | W808 R809 | E788-W808 CarbonylContact O-C 3.59Å; E788-W808 VanDerWaalsContact O-CA 3.25Å; E788-W808 WeakPolarHBondContact O-CA 3.47Å; E788-R809 PolarHBondContact O-N 3.38Å |
| 789 | L | 96.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 119.8 | 173.5 | 179.3 | 73.4 | 0 | 0 | 0 | 108.9 | M764 L773 Q774 V791 V807 W808 | M764-L789 HydrophobicContact CB-CD2 4.28Å; M764-L789 HydrophobicContact CG-CD2 4.32Å; M764-L789 HydrophobicContact SD-CD2 4.17Å; L773-L789 HydrophobicContact CB-CD2 4.29Å; L773-L789 HydrophobicContact CD1-CD2 4.21Å; Q774-L789 HydrophobicContact CG-CB 3.8Å; L789-V791 HydrophobicContact CD2-CG2 3.87Å; L789-V791 HydrophobicContact CG-CG2 4.05Å; L789-V791 PolarHBondContact O-N 2.69Å; L789-V791 VanDerWaalsContact O-N 3.1Å; L789-V807 WeakPolarHBondContact CD1-O 3.2Å; L789-W808 HydrophobicContact CD1-CD2 3.95Å; L789-W808 VanDerWaalsContact CD1-CE2 3.47Å; L789-W808 HydrophobicContact CD1-CG 4.21Å; L789-W808 HydrophobicContact CD1-CZ2 3.9Å |
| 790 | V | 96.4 | Very high | 93 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 13% | 0.127 | 26% | 0.258 | C | S | . | . | trans | -88.5 | 77.1 | 179.8 | -168.8 | 0 | 0 | 0 | 0 | 109 | D792 E793 C794 V807 R809 | V790-D792 PolarHBondContact O-N 3.11Å; V790-D792 VanDerWaalsContact O-N 3.11Å; V790-E793 HydrophobicContact CB-CB 4.39Å; V790-E793 HydrophobicContact CG1-CB 3.99Å; V790-E793 HydrophobicContact CG1-CG 3.73Å; V790-E793 PolarHBondContact O-N 3.26Å; V790-C794 PolarHBondContact O-N 3.49Å; V790-V807 HydrophobicContact CB-CB 4.45Å; V790-V807 HydrophobicContact CB-CG1 4.26Å; V790-V807 PolarHBondContact N-O 2.94Å; V790-R809 HydrophobicContact CG2-CG 3.97Å | ||
| 791 | V | 96.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -34.1 | -172.3 | -179.5 | 0 | 0 | 0 | 0 | 113.2 | Q761 M764 R765 L770 L789 E793 C794 | Q761-V791 HydrophobicContact CB-CG1 4.01Å; Q761-V791 HydrophobicContact CG-CG1 4.08Å; M764-V791 HydrophobicContact CB-CG1 3.95Å; M764-V791 HydrophobicContact CB-CG2 4.08Å; R765-V791 HydrophobicContact CG-CG1 4.11Å; L770-V791 HydrophobicContact CD2-CG2 4.4Å; L789-V791 HydrophobicContact CD2-CG2 3.87Å; L789-V791 HydrophobicContact CG-CG2 4.05Å; L789-V791 PolarHBondContact O-N 2.69Å; L789-V791 VanDerWaalsContact O-N 3.1Å; V791-E793 PolarHBondContact O-N 3.25Å; V791-C794 WeakPolarHBondContact O-CB 3.3Å; V791-C794 PolarHBondContact O-N 2.98Å |
| 792 | D | 96.1 | Very high | 92.8 | Very high | 118 Ų | 118 | 47.8 Ų | 47.8 | 63% | 0.631 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -23 | 179.3 | -67.2 | -63.5 | 0 | 0 | 0 | 113.5 | R765 V790 | R765-D792 IonicContact CZ-OD1 3.22Å; R765-D792 IonicContact CZ-OD2 3.82Å; R765-D792 IonicContact NH2-OD1 2.89Å; R765-D792 PolarHBondContact NH2-OD1 3.45Å; R765-D792 IonicContact NH2-OD2 3.58Å; R765-D792 PolarHBondContact NH2-OD2 3.35Å; V790-D792 PolarHBondContact O-N 3.11Å; V790-D792 VanDerWaalsContact O-N 3.11Å |
| 793 | E | 95.5 | Very high | 93 | Very high | 109 Ų | 109 | 47.1 Ų | 47.1 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -11.2 | 176.5 | -65.7 | -179 | -152.9 | 0 | 0 | 112.5 | V790 V791 V807 | V790-E793 HydrophobicContact CB-CB 4.39Å; V790-E793 HydrophobicContact CG1-CB 3.99Å; V790-E793 HydrophobicContact CG1-CG 3.73Å; V790-E793 PolarHBondContact O-N 3.26Å; V791-E793 PolarHBondContact O-N 3.25Å; E793-V807 HydrophobicContact CB-CB 3.97Å; E793-V807 HydrophobicContact CB-CG1 4.09Å; E793-V807 HydrophobicContact CB-CG2 3.91Å |
| 794 | C | 96.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | trans | -66.8 | 140.7 | 173 | -67.1 | 0 | 0 | 0 | 0 | 111.4 | L757 L760 M764 V790 V791 L805 | L757-C794 WeakPolarHBondContact CD1-O 3.25Å; L760-C794 HydrophobicContact CD2-CB 4.35Å; M764-C794 HydrophobicContact SD-CB 4.06Å; V790-C794 PolarHBondContact O-N 3.49Å; V791-C794 WeakPolarHBondContact O-CB 3.3Å; V791-C794 PolarHBondContact O-N 2.98Å; C794-L805 CarbonylContact C-O 3.56Å; C794-L805 VanDerWaalsContact CA-O 3.3Å; C794-L805 WeakPolarHBondContact CA-O 3.38Å | ||
| 795 | H | 95.6 | Very high | 93.5 | Very high | 84 Ų | 84 | 47.1 Ų | 47.1 | 39% | 0.389 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 156.8 | -174.5 | -161.6 | 65.9 | 0 | 0 | 0 | 113.7 | L805 | H795-L805 HydrophobicContact CB-CB 4.32Å; H795-L805 HydrophobicContact CB-CD2 4.46Å; H795-L805 PolarHBondContact N-O 3.45Å; H795-L805 PolarHBondContact O-N 3.06Å |
| 796 | V | 96 | Very high | 93.8 | Very high | 16 Ų | 16 | 46.4 Ų | 46.4 | 10% | 0.097 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 112.1 | 170 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | V749 P756 L760 S798 K802 L804 | V749-V796 HydrophobicContact CG1-CG1 4.05Å; V749-V796 HydrophobicContact CG1-CG2 3.89Å; P756-V796 HydrophobicContact CB-CB 4.44Å; P756-V796 HydrophobicContact CB-CG1 4.23Å; P756-V796 HydrophobicContact CB-CG2 4.2Å; L760-V796 HydrophobicContact CB-CG2 4.16Å; L760-V796 HydrophobicContact CD2-CG2 3.72Å; L760-V796 HydrophobicContact CG-CG2 4.48Å; V796-S798 PolarHBondContact O-N 3.24Å; V796-K802 HydrophobicContact CG1-CB 3.78Å; V796-K802 HydrophobicContact CG1-CG 4.35Å; V796-L804 HydrophobicContact CG2-CD2 4.03Å |
| 797 | I | 92.1 | Very high | 93.9 | Very high | 61 Ų | 61 | 46.5 Ų | 46.5 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | trans | -66.3 | 135.1 | -179.4 | -58.1 | -64.2 | 0 | 0 | 0 | 110 | S799 P803 L805 L824 | I797-S799 PolarHBondContact O-N 3.12Å; I797-P803 HydrophobicContact CB-CG 3.9Å; I797-P803 HydrophobicContact CG1-CG 4.35Å; I797-P803 HydrophobicContact CG2-CG 4.38Å; I797-P803 PolarHBondContact N-O 3.23Å; I797-L805 HydrophobicContact CD1-CB 4.2Å; I797-L805 HydrophobicContact CD1-CD2 4.44Å; I797-L805 HydrophobicContact CG1-CB 4.39Å; I797-L824 HydrophobicContact CG1-CD1 3.77Å | ||
| 798 | S | 83.9 | Confident | 94 | Very high | 126 Ų | 126 | 46.6 Ų | 46.6 | 88% | 0.881 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -71.1 | 67.7 | 178.3 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | V796 | V796-S798 PolarHBondContact O-N 3.24Š|
| 799 | S | 84.9 | Confident | 94 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -126.1 | 158.6 | 175 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | I797 K801 K802 | I797-S799 PolarHBondContact O-N 3.12Å; S799-K801 PolarHBondContact O-N 2.89Å; S799-K802 PolarHBondContact O-N 3.33Å |
| 800 | A | 85 | Confident | 93.9 | Very high | 103 Ų | 103 | 47.3 Ų | 47.3 | 85% | 0.851 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -29.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 801 | K | 89.2 | Confident | 93.6 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -1.2 | 178.1 | -58.1 | -65.3 | -177.5 | 152.7 | 0 | 114 | K750 S799 G828 D829 | K750-K801 WeakPolarHBondContact CE-O 3.35Å; S799-K801 PolarHBondContact O-N 2.89Å; K801-G828 PolarHBondContact NZ-O 2.7Å; K801-D829 WeakPolarHBondContact CE-OD1 3.27Å; K801-D829 IonicContact NZ-OD1 3.8Å |
| 802 | K | 93.1 | Very high | 93.1 | Very high | 57 Ų | 57 | 48.6 Ų | 48.6 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | trans | 41.9 | 57.7 | 179.8 | -61.9 | 178.5 | 179.6 | 176.1 | 0 | 113.8 | V749 K750 V796 S799 | V749-K802 PolarHBondContact O-NZ 3.38Å; K750-K802 HydrophobicContact CG-CB 4.35Å; K750-K802 HydrophobicContact CG-CD 4.46Å; K750-K802 PolarHBondContact O-NZ 3.46Å; V796-K802 HydrophobicContact CG1-CB 3.78Å; V796-K802 HydrophobicContact CG1-CG 4.35Å; S799-K802 PolarHBondContact O-N 3.33Å | ||
| 803 | P | 95.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.032 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 154.1 | 178.5 | 27.4 | -27.7 | 0 | 0 | 0 | 111.3 | I797 L824 F825 K826 | I797-P803 HydrophobicContact CB-CG 3.9Å; I797-P803 HydrophobicContact CG1-CG 4.35Å; I797-P803 HydrophobicContact CG2-CG 4.38Å; I797-P803 PolarHBondContact N-O 3.23Å; P803-L824 HydrophobicContact CB-CD1 3.92Å; P803-L824 HydrophobicContact CB-CD2 4.46Å; P803-L824 HydrophobicContact CB-CG 4.14Å; P803-L824 HydrophobicContact CG-CD1 4.2Å; P803-F825 WeakPolarHBondContact CA-O 3.31Å; P803-F825 WeakPolarHBondContact CB-O 3.46Å; P803-K826 HydrophobicContact CB-CB 4.26Å; P803-K826 HydrophobicContact CB-CG 4.13Å |
| 804 | L | 97.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 120 | -175.7 | -48.7 | -180 | 0 | 0 | 0 | 109.2 | V749 L760 V796 L806 L824 F825 | V749-L804 HydrophobicContact CG1-CD2 4.17Å; L760-L804 HydrophobicContact CD1-CD1 3.91Å; L760-L804 HydrophobicContact CD1-CD2 3.86Å; L760-L804 HydrophobicContact CD1-CG 4.36Å; L760-L804 HydrophobicContact CD2-CD2 4.38Å; V796-L804 HydrophobicContact CG2-CD2 4.03Å; L804-L806 HydrophobicContact CB-CD2 4.01Å; L804-L806 HydrophobicContact CB-CG 4.37Å; L804-L824 CarbonylContact O-C 3.52Å; L804-L824 WeakPolarHBondContact O-CA 3.43Å; L804-F825 HydrophobicContact CB-CB 4.34Å; L804-F825 HydrophobicContact CD1-CD1 4.26Å; L804-F825 PolarHBondContact N-O 2.79Å; L804-F825 PolarHBondContact O-N 2.95Å |
| 805 | L | 97.4 | Very high | 91.1 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 118 | 167.5 | 178 | 64.1 | 0 | 0 | 0 | 108 | C794 H795 I797 E822 L824 I874 | C794-L805 CarbonylContact C-O 3.56Å; C794-L805 VanDerWaalsContact CA-O 3.3Å; C794-L805 WeakPolarHBondContact CA-O 3.38Å; H795-L805 HydrophobicContact CB-CB 4.32Å; H795-L805 HydrophobicContact CB-CD2 4.46Å; H795-L805 PolarHBondContact N-O 3.45Å; H795-L805 PolarHBondContact O-N 3.06Å; I797-L805 HydrophobicContact CD1-CB 4.2Å; I797-L805 HydrophobicContact CD1-CD2 4.44Å; I797-L805 HydrophobicContact CG1-CB 4.39Å; L805-E822 HydrophobicContact CD1-CB 4.49Å; L805-L824 HydrophobicContact CB-CD1 4.45Å; L805-I874 HydrophobicContact CD1-CD1 4.13Å; L805-I874 HydrophobicContact CD1-CG1 3.73Å |
| 806 | L | 97.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.2 | -174.5 | -54.1 | 176.9 | 0 | 0 | 0 | 109.4 | L742 M764 L804 W808 E822 I823 F825 | L742-L806 HydrophobicContact CD1-CD1 3.58Å; L742-L806 HydrophobicContact CD2-CD1 3.65Å; L742-L806 HydrophobicContact CD2-CD2 4.16Å; L742-L806 HydrophobicContact CG-CD1 4.27Å; M764-L806 HydrophobicContact CE-CD2 3.2Å; M764-L806 HydrophobicContact SD-CD2 4.5Å; L804-L806 HydrophobicContact CB-CD2 4.01Å; L804-L806 HydrophobicContact CB-CG 4.37Å; L806-W808 HydrophobicContact CB-CE3 4.04Å; L806-W808 HydrophobicContact CB-CH2 3.36Å; L806-W808 HydrophobicContact CB-CZ2 4.23Å; L806-W808 HydrophobicContact CB-CZ3 3.22Å; L806-W808 HydrophobicContact CD1-CH2 3.46Å; L806-W808 VanDerWaalsContact CD1-CH2 3.46Å; L806-W808 HydrophobicContact CD1-CZ2 4.3Å; L806-W808 HydrophobicContact CD1-CZ3 4.12Å; L806-W808 HydrophobicContact CG-CH2 4.01Å; L806-W808 HydrophobicContact CG-CZ3 4.29Å; L806-E822 WeakPolarHBondContact O-CA 3.43Å; L806-I823 PolarHBondContact N-O 3.48Å; L806-I823 PolarHBondContact O-N 2.71Å; L806-F825 HydrophobicContact CD1-CB 3.79Å; L806-F825 HydrophobicContact CG-CB 4.45Å |
| 807 | V | 97.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.5 | -175.4 | -172.9 | 0 | 0 | 0 | 0 | 110.2 | L789 V790 E793 V821 E822 | L789-V807 WeakPolarHBondContact CD1-O 3.2Å; V790-V807 HydrophobicContact CB-CB 4.45Å; V790-V807 HydrophobicContact CB-CG1 4.26Å; V790-V807 PolarHBondContact N-O 2.94Å; E793-V807 HydrophobicContact CB-CB 3.97Å; E793-V807 HydrophobicContact CB-CG1 4.09Å; E793-V807 HydrophobicContact CB-CG2 3.91Å; V807-V821 WeakPolarHBondContact CA-O 3.41Å; V807-E822 HydrophobicContact CG2-CG 4.38Å |
| 808 | W | 96.7 | Very high | 90 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 166.9 | 173.8 | -69.2 | -93 | 0 | 0 | 0 | 111.6 | L773 L786 E788 L789 L806 P820 V821 I823 | L773-W808 PolarHBondContact O-NE1 3.3Å; L786-W808 HydrophobicContact CB-CG 4.16Å; L786-W808 HydrophobicContact CD1-CD2 4.12Å; L786-W808 HydrophobicContact CD1-CE3 4.35Å; L786-W808 HydrophobicContact CD1-CH2 4.33Å; L786-W808 HydrophobicContact CD1-CZ2 4.16Å; L786-W808 HydrophobicContact CD1-CZ3 4.44Å; L786-W808 HydrophobicContact CD2-CB 4.26Å; L786-W808 HydrophobicContact CD2-CD2 4.26Å; L786-W808 HydrophobicContact CD2-CE3 4.31Å; L786-W808 HydrophobicContact CD2-CG 4.27Å; E788-W808 CarbonylContact O-C 3.59Å; E788-W808 VanDerWaalsContact O-CA 3.25Å; E788-W808 WeakPolarHBondContact O-CA 3.47Å; L789-W808 HydrophobicContact CD1-CD2 3.95Å; L789-W808 VanDerWaalsContact CD1-CE2 3.47Å; L789-W808 HydrophobicContact CD1-CG 4.21Å; L789-W808 HydrophobicContact CD1-CZ2 3.9Å; L806-W808 HydrophobicContact CB-CE3 4.04Å; L806-W808 HydrophobicContact CB-CH2 3.36Å; L806-W808 HydrophobicContact CB-CZ2 4.23Å; L806-W808 HydrophobicContact CB-CZ3 3.22Å; L806-W808 HydrophobicContact CD1-CH2 3.46Å; L806-W808 VanDerWaalsContact CD1-CH2 3.46Å; L806-W808 HydrophobicContact CD1-CZ2 4.3Å; L806-W808 HydrophobicContact CD1-CZ3 4.12Å; L806-W808 HydrophobicContact CG-CH2 4.01Å; L806-W808 HydrophobicContact CG-CZ3 4.29Å; W808-P820 WeakPolarHBondContact O-CA 3.45Å; W808-V821 HydrophobicContact CB-CB 4.38Å; W808-V821 PolarHBondContact N-O 3.04Å; W808-V821 PolarHBondContact O-N 2.97Å; W808-I823 HydrophobicContact CE3-CD1 4.43Å; W808-I823 HydrophobicContact CZ3-CB 4.01Å; W808-I823 HydrophobicContact CZ3-CD1 3.95Å; W808-I823 HydrophobicContact CZ3-CG1 4.16Å |
| 809 | R | 95.3 | Very high | 90.3 | Very high | 112 Ų | 112 | 49.7 Ų | 49.7 | 42% | 0.423 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 142.8 | 157.8 | -70.3 | -178.7 | 179.4 | 179.6 | -1.4 | 109.6 | G787 E788 V790 R818 L819 | G787-R809 WeakPolarHBondContact CA-O 3.46Å; G787-R809 PolarHBondContact N-O 3.05Å; E788-R809 PolarHBondContact O-N 3.38Å; V790-R809 HydrophobicContact CG2-CG 3.97Å; R809-R818 HydrophobicContact CB-CB 4.21Å; R809-L819 CarbonylContact C-O 3.58Å; R809-L819 WeakPolarHBondContact CA-O 3.36Å |
| 810 | T | 93.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 149.5 | 175.3 | 56.6 | 0 | 0 | 0 | 0 | 111.8 | L784 S785 E812 L817 R818 L819 V821 | L784-T810 HydrophobicContact CD1-CG2 3.78Å; S785-T810 WeakPolarHBondContact O-CA 3.15Å; T810-E812 PolarHBondContact O-N 3.05Å; T810-L817 PolarHBondContact OG1-O 3.17Å; T810-R818 WeakPolarHBondContact O-CG 3.46Å; T810-R818 WeakPolarHBondContact OG1-CA 3.2Å; T810-L819 HydrophobicContact CG2-CB 4.08Å; T810-L819 PolarHBondContact N-O 3.31Å; T810-L819 PolarHBondContact OG1-N 3.28Å; T810-V821 HydrophobicContact CG2-CG2 3.59Å |
| 811 | A | 89.5 | Confident | 91.1 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | trans | -79.3 | 62.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S785 | S785-A811 PolarHBondContact O-N 3.13Š| ||
| 812 | E | 87.7 | Confident | 91.4 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | trans | -99.7 | 140.8 | 175.4 | -67.5 | -60.5 | 162.2 | 0 | 0 | 112.1 | K259 G262 I292 T810 V814 L817 R818 | K259-E812 IonicContact NZ-OE1 2.74Å; K259-E812 PolarHBondContact NZ-OE1 2.84Å; K259-E812 IonicContact NZ-OE2 2.7Å; G262-E812 VanDerWaalsContact CA-OE1 3.25Å; G262-E812 WeakPolarHBondContact CA-OE1 3.45Å; G262-E812 PolarHBondContact N-OE1 2.86Å; I292-E812 WeakPolarHBondContact CD1-OE2 3.33Å; T810-E812 PolarHBondContact O-N 3.05Å; E812-V814 PolarHBondContact O-N 3.37Å; E812-L817 HydrophobicContact CB-CB 4.04Å; E812-L817 HydrophobicContact CG-CB 4.19Å; E812-R818 HydrophobicContact CB-CG 4.11Å; E812-R818 PolarHBondContact O-NE 3.2Å; E812-R818 PolarHBondContact O-NH2 3.3Å | ||
| 813 | A | 80.8 | Confident | 91.6 | Very high | 97 Ų | 97 | 44.3 Ų | 44.3 | 80% | 0.802 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -61.9 | -35.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 814 | V | 81.5 | Confident | 91.7 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -92.8 | 123.1 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | W196 E812 E816 L817 | W196-V814 HydrophobicContact CE3-CB 4.36Å; W196-V814 HydrophobicContact CE3-CG1 3.85Å; W196-V814 HydrophobicContact CE3-CG2 3.87Å; W196-V814 HydrophobicContact CH2-CG1 3.54Å; W196-V814 HydrophobicContact CZ2-CG1 4.32Å; W196-V814 HydrophobicContact CZ3-CB 4.27Å; W196-V814 HydrophobicContact CZ3-CG1 3.3Å; W196-V814 HydrophobicContact CZ3-CG2 4.1Å; E812-V814 PolarHBondContact O-N 3.37Å; V814-E816 VanDerWaalsContact C-N 3.29Å; V814-E816 HydrophobicContact CG1-CB 4.09Å; V814-E816 PolarHBondContact O-N 3.48Å; V814-L817 HydrophobicContact CB-CB 4.47Å; V814-L817 HydrophobicContact CB-CD1 4.25Å; V814-L817 HydrophobicContact CB-CG 4.3Å; V814-L817 HydrophobicContact CG1-CG 4.4Å; V814-L817 PolarHBondContact O-N 3.06Å; V814-L817 VanDerWaalsContact O-N 3.07Å |
| 815 | A | 83.9 | Confident | 91.7 | Very high | 72 Ų | 72 | 45.4 Ų | 45.4 | 60% | 0.595 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -57.4 | -36.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | L817 R818 | A815-L817 PolarHBondContact O-N 3.08Å; A815-R818 WeakPolarHBondContact O-CB 3.28Å; A815-R818 PolarHBondContact O-N 3.01Å; A815-R818 VanDerWaalsContact O-N 3.16Å |
| 816 | E | 84.1 | Confident | 91.6 | Very high | 135 Ų | 135 | 45 Ų | 45 | 63% | 0.631 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -63 | -22 | 177.7 | -68.6 | 175.3 | -152.2 | 0 | 0 | 113.7 | W196 K212 V814 | W196-E816 HydrophobicContact CH2-CB 4.01Å; W196-E816 HydrophobicContact CH2-CG 4.43Å; W196-E816 WeakPolarHBondContact CH2-OE2 3.46Å; W196-E816 HydrophobicContact CZ2-CB 4.23Å; K212-E816 IonicContact NZ-OE2 2.66Å; K212-E816 PolarHBondContact NZ-OE2 3.27Å; V814-E816 VanDerWaalsContact C-N 3.29Å; V814-E816 HydrophobicContact CG1-CB 4.09Å; V814-E816 PolarHBondContact O-N 3.48Å |
| 817 | L | 86.1 | Confident | 91.4 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -97.9 | -0 | 179.5 | -65 | -179.5 | 0 | 0 | 0 | 113.1 | W196 P261 N290 I292 T810 E812 V814 A815 L819 | W196-L817 HydrophobicContact CB-CD1 4.31Å; W196-L817 HydrophobicContact CD2-CD1 3.89Å; W196-L817 HydrophobicContact CD2-CG 4.36Å; W196-L817 HydrophobicContact CG-CD1 3.72Å; W196-L817 HydrophobicContact CZ2-CD2 4.21Å; W196-L817 HydrophobicContact CZ2-CG 4.2Å; P261-L817 HydrophobicContact CB-CD2 4.19Å; P261-L817 HydrophobicContact CG-CD2 4.36Å; N290-L817 HydrophobicContact CB-CD2 4.02Å; I292-L817 HydrophobicContact CD1-CD1 3.78Å; I292-L817 HydrophobicContact CG1-CD1 3.7Å; T810-L817 PolarHBondContact OG1-O 3.17Å; E812-L817 HydrophobicContact CB-CB 4.04Å; E812-L817 HydrophobicContact CG-CB 4.19Å; V814-L817 HydrophobicContact CB-CB 4.47Å; V814-L817 HydrophobicContact CB-CD1 4.25Å; V814-L817 HydrophobicContact CB-CG 4.3Å; V814-L817 HydrophobicContact CG1-CG 4.4Å; V814-L817 PolarHBondContact O-N 3.06Å; V814-L817 VanDerWaalsContact O-N 3.07Å; A815-L817 PolarHBondContact O-N 3.08Å; L817-L819 PolarHBondContact O-N 3.49Å |
| 818 | R | 90.4 | Very high | 91.1 | Very high | 96 Ų | 96 | 47.7 Ų | 47.7 | 36% | 0.362 | 27% | 0.272 | S | S | . | . | trans | -77.5 | 105.8 | 177.5 | -64.4 | -172.6 | -175.5 | 166.7 | 2.5 | 109.6 | R809 T810 E812 A815 | R809-R818 HydrophobicContact CB-CB 4.21Å; T810-R818 WeakPolarHBondContact O-CG 3.46Å; T810-R818 WeakPolarHBondContact OG1-CA 3.2Å; E812-R818 HydrophobicContact CB-CG 4.11Å; E812-R818 PolarHBondContact O-NE 3.2Å; E812-R818 PolarHBondContact O-NH2 3.3Å; A815-R818 WeakPolarHBondContact O-CB 3.28Å; A815-R818 PolarHBondContact O-N 3.01Å; A815-R818 VanDerWaalsContact O-N 3.16Å | ||
| 819 | L | 88.6 | Confident | 90.7 | Very high | 90 Ų | 90 | 49.6 Ų | 49.6 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | trans | -89.5 | 145.6 | -178.5 | -59 | 175.1 | 0 | 0 | 0 | 110.3 | R809 T810 L817 | R809-L819 CarbonylContact C-O 3.58Å; R809-L819 WeakPolarHBondContact CA-O 3.36Å; T810-L819 HydrophobicContact CG2-CB 4.08Å; T810-L819 PolarHBondContact N-O 3.31Å; T810-L819 PolarHBondContact OG1-N 3.28Å; L817-L819 PolarHBondContact O-N 3.49Å | ||
| 820 | P | 92.5 | Very high | 90.4 | Very high | 95 Ų | 95 | 45.9 Ų | 45.9 | 62% | 0.617 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 139.7 | 172.4 | 29 | -33.7 | 0 | 0 | 0 | 110.4 | W808 | W808-P820 WeakPolarHBondContact O-CA 3.45Å |
| 821 | V | 94.4 | Very high | 90.4 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 119.9 | 176 | 177.5 | 0 | 0 | 0 | 0 | 108.4 | L784 L786 V807 W808 T810 I823 | L784-V821 HydrophobicContact CD1-CG2 4.01Å; L784-V821 HydrophobicContact CD2-CG1 3.66Å; L784-V821 HydrophobicContact CD2-CG2 4.09Å; L784-V821 HydrophobicContact CG-CG2 4.43Å; L786-V821 HydrophobicContact CD2-CB 4.29Å; L786-V821 HydrophobicContact CD2-CG1 3.76Å; V807-V821 WeakPolarHBondContact CA-O 3.41Å; W808-V821 HydrophobicContact CB-CB 4.38Å; W808-V821 PolarHBondContact N-O 3.04Å; W808-V821 PolarHBondContact O-N 2.97Å; T810-V821 HydrophobicContact CG2-CG2 3.59Å; V821-I823 HydrophobicContact CG1-CD1 4.16Å; V821-I823 HydrophobicContact CG1-CG1 4.09Å |
| 822 | E | 96.4 | Very high | 90.6 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 32% | 0.318 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.8 | 179.7 | -63.9 | 177.9 | 136.4 | 0 | 0 | 109.8 | L805 L806 V807 I874 | L805-E822 HydrophobicContact CD1-CB 4.49Å; L806-E822 WeakPolarHBondContact O-CA 3.43Å; V807-E822 HydrophobicContact CG2-CG 4.38Å; E822-I874 HydrophobicContact CB-CB 3.65Å; E822-I874 HydrophobicContact CB-CG1 4Å; E822-I874 HydrophobicContact CB-CG2 3.9Å; E822-I874 WeakPolarHBondContact O-CB 3.37Å; E822-I874 PolarHBondContact O-N 3.07Å; E822-I874 WeakPolarHBondContact OE2-CG2 3.32Å |
| 823 | I | 97.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 134.3 | 178 | -55.1 | 174.7 | 0 | 0 | 0 | 109.2 | C778 L780 L786 L806 W808 V821 M871 | C778-I823 WeakPolarHBondContact SG-CD1 3.37Å; L780-I823 HydrophobicContact CD2-CG2 4.29Å; L786-I823 HydrophobicContact CD2-CD1 4.4Å; L806-I823 PolarHBondContact N-O 3.48Å; L806-I823 PolarHBondContact O-N 2.71Å; W808-I823 HydrophobicContact CE3-CD1 4.43Å; W808-I823 HydrophobicContact CZ3-CB 4.01Å; W808-I823 HydrophobicContact CZ3-CD1 3.95Å; W808-I823 HydrophobicContact CZ3-CG1 4.16Å; V821-I823 HydrophobicContact CG1-CD1 4.16Å; V821-I823 HydrophobicContact CG1-CG1 4.09Å; I823-M871 HydrophobicContact CG2-CB 3.75Å; I823-M871 HydrophobicContact CG2-CG 3.95Å; I823-M871 HydrophobicContact CG2-SD 4.03Å |
| 824 | L | 97.4 | Very high | 91.4 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 113.8 | 172.5 | -171.2 | 73.4 | 0 | 0 | 0 | 110 | I797 P803 L804 L805 M871 I872 I874 | I797-L824 HydrophobicContact CG1-CD1 3.77Å; P803-L824 HydrophobicContact CB-CD1 3.92Å; P803-L824 HydrophobicContact CB-CD2 4.46Å; P803-L824 HydrophobicContact CB-CG 4.14Å; P803-L824 HydrophobicContact CG-CD1 4.2Å; L804-L824 CarbonylContact O-C 3.52Å; L804-L824 WeakPolarHBondContact O-CA 3.43Å; L805-L824 HydrophobicContact CB-CD1 4.45Å; L824-M871 CarbonylContact O-C 3.56Å; L824-M871 WeakPolarHBondContact O-CA 3.12Å; L824-I872 HydrophobicContact CB-CB 4.24Å; L824-I872 HydrophobicContact CD2-CD1 4.38Å; L824-I872 PolarHBondContact N-O 3.02Å; L824-I872 PolarHBondContact O-N 3.4Å; L824-I874 HydrophobicContact CB-CD1 3.84Å; L824-I874 HydrophobicContact CB-CG1 4.36Å |
| 825 | F | 97.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119.2 | 170.6 | -177.6 | -92.6 | 0 | 0 | 0 | 110.1 | V739 L742 P803 L804 L806 M827 I869 M871 | V739-F825 HydrophobicContact CG1-CE2 4.36Å; L742-F825 HydrophobicContact CB-CD1 4.01Å; L742-F825 HydrophobicContact CB-CD2 3.92Å; L742-F825 HydrophobicContact CB-CE1 3.78Å; L742-F825 HydrophobicContact CB-CE2 3.68Å; L742-F825 HydrophobicContact CB-CG 4.07Å; L742-F825 HydrophobicContact CB-CZ 3.6Å; L742-F825 HydrophobicContact CD1-CD2 3.79Å; L742-F825 HydrophobicContact CD1-CE2 4.17Å; L742-F825 HydrophobicContact CD1-CG 4.17Å; L742-F825 HydrophobicContact CG-CD2 4.48Å; L742-F825 WeakPolarHBondContact O-CE1 3.48Å; P803-F825 WeakPolarHBondContact CA-O 3.31Å; P803-F825 WeakPolarHBondContact CB-O 3.46Å; L804-F825 HydrophobicContact CB-CB 4.34Å; L804-F825 HydrophobicContact CD1-CD1 4.26Å; L804-F825 PolarHBondContact N-O 2.79Å; L804-F825 PolarHBondContact O-N 2.95Å; L806-F825 HydrophobicContact CD1-CB 3.79Å; L806-F825 HydrophobicContact CG-CB 4.45Å; F825-M827 HydrophobicContact CE1-CB 4.34Å; F825-I869 HydrophobicContact CE1-CG2 4.44Å; F825-I869 HydrophobicContact CE2-CG2 3.79Å; F825-I869 HydrophobicContact CZ-CG2 3.51Å; F825-M871 HydrophobicContact CD2-CE 3.99Å; F825-M871 HydrophobicContact CD2-CG 4.03Å |
| 826 | K | 95.7 | Very high | 92.6 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.6 | -174.8 | -164.5 | 170.4 | -172.2 | -154.5 | 0 | 110.2 | P803 D829 L831 I869 G870 I872 | P803-K826 HydrophobicContact CB-CB 4.26Å; P803-K826 HydrophobicContact CB-CG 4.13Å; K826-D829 WeakPolarHBondContact CE-OD2 3.31Å; K826-D829 IonicContact NZ-OD2 2.86Å; K826-D829 PolarHBondContact NZ-OD2 3.22Å; K826-L831 HydrophobicContact CD-CD2 4.08Å; K826-I869 WeakPolarHBondContact O-CA 3.49Å; K826-G870 PolarHBondContact N-O 2.65Å; K826-G870 PolarHBondContact O-N 2.84Å; K826-I872 HydrophobicContact CD-CD1 4.19Å |
| 827 | M | 93.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 30.8 Ų | 30.8 | 17% | 0.167 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 141.6 | 172.5 | 171.7 | -167.9 | 144.5 | 0 | 0 | 109.2 | T743 A747 K750 F825 H868 I869 | T743-M827 HydrophobicContact CG2-SD 4.3Å; A747-M827 HydrophobicContact CB-CE 3.82Å; A747-M827 HydrophobicContact CB-SD 4.26Å; K750-M827 HydrophobicContact CD-CE 4.13Å; K750-M827 VanDerWaalsContact NZ-CB 3.26Å; K750-M827 PolarHBondContact NZ-O 2.89Å; F825-M827 HydrophobicContact CE1-CB 4.34Å; M827-H868 CarbonylContact C-O 3.6Å; M827-H868 WeakPolarHBondContact CA-O 3.48Å; M827-I869 HydrophobicContact CB-CG1 4.23Å; M827-I869 HydrophobicContact CG-CG1 3.98Å |
| 828 | G | 89.2 | Confident | 93.7 | Very high | 26 Ų | 26 | 30.6 Ų | 30.6 | 27% | 0.268 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 99.9 | -0.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | K801 H868 | K801-G828 PolarHBondContact NZ-O 2.7Å; G828-H868 PolarHBondContact N-O 3.28Å |
| 829 | D | 89.5 | Confident | 94 | Very high | 45 Ų | 45 | 27.3 Ų | 27.3 | 24% | 0.241 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -124.3 | 148.9 | 172.7 | -70.7 | -19.1 | 0 | 0 | 0 | 110.2 | K801 K826 L831 H868 | K801-D829 WeakPolarHBondContact CE-OD1 3.27Å; K801-D829 IonicContact NZ-OD1 3.8Å; K826-D829 WeakPolarHBondContact CE-OD2 3.31Å; K826-D829 IonicContact NZ-OD2 2.86Å; K826-D829 PolarHBondContact NZ-OD2 3.22Å; D829-L831 PolarHBondContact O-N 3.34Å; D829-H868 CarbonylContact O-C 3.58Å; D829-H868 VanDerWaalsContact O-C 3.25Å; D829-H868 WeakPolarHBondContact O-CA 3.5Å |
| 830 | D | 89.5 | Confident | 94.4 | Very high | 34 Ų | 34 | 23 Ų | 23 | 18% | 0.182 | 13% | 0.127 | C | C | . | . | trans | -84.7 | 95.1 | 178.3 | -169.2 | -1.8 | 0 | 0 | 0 | 111.9 | R832 | D830-R832 PolarHBondContact O-N 3.06Å; D830-R832 VanDerWaalsContact O-N 3.14Å; D830-R832 VanDerWaalsContact OD1-CB 3.26Å; D830-R832 WeakPolarHBondContact OD1-CB 3.5Å; D830-R832 WeakPolarHBondContact OD1-CG 3.42Å; D830-R832 IonicContact OD1-CZ 2.76Å; D830-R832 PolarHBondContact OD1-N 3.3Å; D830-R832 IonicContact OD1-NE 2.69Å; D830-R832 PolarHBondContact OD1-NE 2.89Å; D830-R832 IonicContact OD1-NH2 3.78Å; D830-R832 IonicContact OD2-CZ 3.25Å; D830-R832 IonicContact OD2-NE 3.5Å; D830-R832 PolarHBondContact OD2-NE 3.15Å; D830-R832 IonicContact OD2-NH2 3.26Å; D830-R832 PolarHBondContact OD2-NH2 3.23Å | ||
| 831 | L | 93.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -5.6 | -177.7 | -62 | -173.1 | 0 | 0 | 0 | 114.8 | K826 D829 Q833 D834 M835 P864 I872 | K826-L831 HydrophobicContact CD-CD2 4.08Å; D829-L831 PolarHBondContact O-N 3.34Å; L831-Q833 PolarHBondContact O-N 2.8Å; L831-D834 PolarHBondContact O-N 2.79Å; L831-M835 WeakPolarHBondContact O-CB 3.48Å; L831-M835 PolarHBondContact O-N 3.19Å; L831-P864 HydrophobicContact CB-CB 4.19Å; L831-I872 HydrophobicContact CD1-CD1 4.41Å; L831-I872 HydrophobicContact CD1-CG1 4.17Å; L831-I872 HydrophobicContact CD2-CD1 3.94Å; L831-I872 HydrophobicContact CD2-CG1 4.48Å |
| 832 | R | 92.6 | Very high | 94.8 | Very high | 40 Ų | 40 | 20.5 Ų | 20.5 | 15% | 0.151 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60 | -34.8 | 176.7 | -72.8 | -177.7 | -57.1 | 153.9 | 12.5 | 112 | E704 D830 L836 P864 M1033 I1035 | E704-R832 IonicContact OE1-NH1 2.68Å; D830-R832 PolarHBondContact O-N 3.06Å; D830-R832 VanDerWaalsContact O-N 3.14Å; D830-R832 VanDerWaalsContact OD1-CB 3.26Å; D830-R832 WeakPolarHBondContact OD1-CB 3.5Å; D830-R832 WeakPolarHBondContact OD1-CG 3.42Å; D830-R832 IonicContact OD1-CZ 2.76Å; D830-R832 PolarHBondContact OD1-N 3.3Å; D830-R832 IonicContact OD1-NE 2.69Å; D830-R832 PolarHBondContact OD1-NE 2.89Å; D830-R832 IonicContact OD1-NH2 3.78Å; D830-R832 IonicContact OD2-CZ 3.25Å; D830-R832 IonicContact OD2-NE 3.5Å; D830-R832 PolarHBondContact OD2-NE 3.15Å; D830-R832 IonicContact OD2-NH2 3.26Å; D830-R832 PolarHBondContact OD2-NH2 3.23Å; R832-L836 WeakPolarHBondContact O-CB 3.47Å; R832-L836 PolarHBondContact O-N 2.7Å; R832-P864 HydrophobicContact CG-CB 4.09Å; R832-P864 HydrophobicContact CG-CG 3.91Å; R832-M1033 HydrophobicContact CB-CE 3.49Å; R832-M1033 VanDerWaalsContact CB-CE 3.49Å; R832-M1033 HydrophobicContact CB-SD 4.13Å; R832-M1033 HydrophobicContact CG-CE 3.99Å; R832-M1033 PolarHBondContact NH1-O 3.39Å; R832-I1035 HydrophobicContact CB-CG2 4.16Å |
| 833 | Q | 91.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 17.3 Ų | 17.3 | 7% | 0.065 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -70.6 | -44.7 | 177.7 | 179 | 168.7 | -15.6 | 0 | 0 | 112.5 | L831 L836 T837 F959 G960 H961 F962 E1037 | L831-Q833 PolarHBondContact O-N 2.8Å; Q833-L836 PolarHBondContact O-N 3.31Å; Q833-T837 PolarHBondContact O-N 2.98Å; Q833-T837 PolarHBondContact O-OG1 2.91Å; Q833-F959 PolarHBondContact NE2-O 3.21Å; Q833-G960 PolarHBondContact NE2-O 3.2Å; Q833-H961 VanDerWaalsContact NE2-N 3.19Å; Q833-F962 HydrophobicContact CG-CD1 3.8Å; Q833-F962 HydrophobicContact CG-CE1 3.58Å; Q833-E1037 PolarHBondContact NE2-OE2 2.75Å |
| 834 | D | 93.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 4% | 0.043 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 172 | -68.5 | -95.2 | 0 | 0 | 0 | 111.3 | L831 L836 T837 L838 F959 | L831-D834 PolarHBondContact O-N 2.79Å; D834-L836 PolarHBondContact O-N 3.11Å; D834-T837 PolarHBondContact O-N 2.91Å; D834-L838 WeakPolarHBondContact O-CB 3.49Å; D834-L838 WeakPolarHBondContact O-CD1 3.37Å; D834-L838 VanDerWaalsContact O-CG 3.29Å; D834-L838 WeakPolarHBondContact O-CG 3.46Å; D834-L838 PolarHBondContact O-N 2.91Å; D834-F959 PolarHBondContact OD1-N 2.84Å |
| 835 | M | 95.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 16.8 Ų | 16.8 | 7% | 0.074 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.4 | -46.5 | 176.8 | 179.8 | 176.7 | 63.8 | 0 | 0 | 111.6 | M663 L700 L831 L838 Q839 S862 P864 M1033 | M663-M835 HydrophobicContact CG-CE 4.02Å; M663-M835 HydrophobicContact SD-CE 3.65Å; M663-M835 HydrophobicContact SD-CG 4Å; M663-M835 HydrophobicContact SD-SD 4.26Å; L700-M835 HydrophobicContact CD2-CE 3.68Å; L700-M835 HydrophobicContact CD2-SD 3.79Å; L831-M835 WeakPolarHBondContact O-CB 3.48Å; L831-M835 PolarHBondContact O-N 3.19Å; M835-L838 PolarHBondContact O-N 2.85Å; M835-Q839 VanDerWaalsContact O-CB 3.29Å; M835-Q839 WeakPolarHBondContact O-CB 3.32Å; M835-Q839 PolarHBondContact O-N 3.27Å; M835-S862 WeakPolarHBondContact CG-O 3.27Å; M835-P864 HydrophobicContact CE-CG 3.61Å; M835-P864 WeakPolarHBondContact SD-CD 3.32Å; M835-P864 HydrophobicContact SD-CG 3.89Å; M835-M1033 HydrophobicContact CE-CE 3.93Å |
| 836 | L | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 176.8 | 173.3 | 58.6 | 0 | 0 | 0 | 111.4 | M663 Y664 R832 Q833 D834 L838 Q839 V840 F962 M1030 I1035 L1038 | M663-L836 HydrophobicContact CE-CB 4.35Å; M663-L836 HydrophobicContact CE-CD1 3.57Å; Y664-L836 HydrophobicContact CE1-CD1 3.86Å; R832-L836 WeakPolarHBondContact O-CB 3.47Å; R832-L836 PolarHBondContact O-N 2.7Å; Q833-L836 PolarHBondContact O-N 3.31Å; D834-L836 PolarHBondContact O-N 3.11Å; L836-L838 PolarHBondContact O-N 3.14Å; L836-Q839 PolarHBondContact O-N 3.26Å; L836-V840 HydrophobicContact CD1-CG2 4.15Å; L836-V840 WeakPolarHBondContact O-CG2 3.11Å; L836-V840 PolarHBondContact O-N 3.27Å; L836-F962 HydrophobicContact CD2-CE2 4.25Å; L836-F962 HydrophobicContact CD2-CZ 4.27Å; L836-M1030 HydrophobicContact CD1-CE 4.24Å; L836-M1030 HydrophobicContact CD1-CG 4.06Å; L836-I1035 HydrophobicContact CD2-CD1 3.68Å; L836-L1038 HydrophobicContact CD2-CD2 4.23Å |
| 837 | T | 95.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.2 | -46.2 | -178.9 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | Q833 D834 Q839 V840 L841 L936 F959 | Q833-T837 PolarHBondContact O-N 2.98Å; Q833-T837 PolarHBondContact O-OG1 2.91Å; D834-T837 PolarHBondContact O-N 2.91Å; T837-Q839 VanDerWaalsContact C-N 3.31Å; T837-Q839 PolarHBondContact O-N 3.1Å; T837-V840 PolarHBondContact O-N 3.16Å; T837-L841 WeakPolarHBondContact O-CG 3.19Å; T837-L841 PolarHBondContact O-N 3.36Å; T837-L936 HydrophobicContact CG2-CD1 4.14Å; T837-F959 HydrophobicContact CG2-CB 3.82Å; T837-F959 HydrophobicContact CG2-CD1 3.43Å; T837-F959 VanDerWaalsContact CG2-CD1 3.43Å; T837-F959 HydrophobicContact CG2-CD2 4Å; T837-F959 HydrophobicContact CG2-CE1 3.93Å; T837-F959 HydrophobicContact CG2-CE2 4.43Å; T837-F959 HydrophobicContact CG2-CG 3.47Å; T837-F959 VanDerWaalsContact CG2-CG 3.47Å; T837-F959 HydrophobicContact CG2-CZ 4.4Å |
| 838 | L | 97.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.6 | -37.2 | 177 | -71.2 | 161.2 | 0 | 0 | 0 | 111.8 | D834 M835 L836 L841 K842 Y860 F959 | D834-L838 WeakPolarHBondContact O-CB 3.49Å; D834-L838 WeakPolarHBondContact O-CD1 3.37Å; D834-L838 VanDerWaalsContact O-CG 3.29Å; D834-L838 WeakPolarHBondContact O-CG 3.46Å; D834-L838 PolarHBondContact O-N 2.91Å; M835-L838 PolarHBondContact O-N 2.85Å; L836-L838 PolarHBondContact O-N 3.14Å; L838-L841 HydrophobicContact CD2-CD1 4.37Å; L838-L841 WeakPolarHBondContact O-CB 3.5Å; L838-L841 PolarHBondContact O-N 3.03Å; L838-K842 WeakPolarHBondContact O-CG 3.36Å; L838-K842 PolarHBondContact O-N 2.82Å; L838-Y860 HydrophobicContact CD1-CD2 3.86Å; L838-Y860 HydrophobicContact CD1-CE2 3.44Å; L838-Y860 VanDerWaalsContact CD1-CE2 3.44Å; L838-Y860 HydrophobicContact CD2-CD1 3.92Å; L838-Y860 HydrophobicContact CD2-CD2 4.27Å; L838-Y860 HydrophobicContact CD2-CE1 3.7Å; L838-Y860 HydrophobicContact CD2-CE2 4.08Å; L838-Y860 HydrophobicContact CD2-CG 4.19Å; L838-Y860 HydrophobicContact CG-CE2 4.38Å; L838-F959 HydrophobicContact CD2-CE2 3.87Å; L838-F959 HydrophobicContact CG-CD2 4.37Å; L838-F959 HydrophobicContact CG-CE2 4.16Å |
| 839 | Q | 96.6 | Very high | 95 | Very high | 28 Ų | 28 | 21.1 Ų | 21.1 | 13% | 0.131 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.4 | -39.2 | 175.9 | -166.1 | 57.6 | 31.3 | 0 | 0 | 111.8 | M660 M663 Y664 M835 L836 T837 K842 I843 | M660-Q839 PolarHBondContact O-NE2 3.34Å; M660-Q839 PolarHBondContact SD-NE2 3.04Å; M663-Q839 HydrophobicContact CE-CB 4.04Å; M663-Q839 HydrophobicContact CE-CG 4.12Å; Y664-Q839 HydrophobicContact CE2-CG 3.92Å; M835-Q839 VanDerWaalsContact O-CB 3.29Å; M835-Q839 WeakPolarHBondContact O-CB 3.32Å; M835-Q839 PolarHBondContact O-N 3.27Å; L836-Q839 PolarHBondContact O-N 3.26Å; T837-Q839 VanDerWaalsContact C-N 3.31Å; T837-Q839 PolarHBondContact O-N 3.1Å; Q839-K842 PolarHBondContact O-N 3.19Å; Q839-I843 HydrophobicContact CG-CD1 4.43Å; Q839-I843 WeakPolarHBondContact O-CG1 3.47Å; Q839-I843 PolarHBondContact O-N 2.83Å; Q839-I843 VanDerWaalsContact O-N 3.09Å |
| 840 | V | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.2 | -39.2 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | Y664 L836 T837 K842 I843 M844 L936 F1023 F1027 | Y664-V840 WeakPolarHBondContact OH-CG2 3.15Å; L836-V840 HydrophobicContact CD1-CG2 4.15Å; L836-V840 WeakPolarHBondContact O-CG2 3.11Å; L836-V840 PolarHBondContact O-N 3.27Å; T837-V840 PolarHBondContact O-N 3.16Å; V840-K842 VanDerWaalsContact C-N 3.34Å; V840-K842 PolarHBondContact O-N 3.38Å; V840-I843 PolarHBondContact O-N 3.09Å; V840-I843 VanDerWaalsContact O-N 3.12Å; V840-M844 HydrophobicContact CG1-CE 3.83Å; V840-M844 HydrophobicContact CG1-CG 4.35Å; V840-M844 HydrophobicContact CG1-SD 4.34Å; V840-M844 WeakPolarHBondContact O-CG 3.24Å; V840-M844 PolarHBondContact O-N 3.07Å; V840-L936 HydrophobicContact CB-CD2 4.49Å; V840-L936 HydrophobicContact CG1-CD1 4.35Å; V840-L936 HydrophobicContact CG1-CD2 3.86Å; V840-F1023 HydrophobicContact CG1-CD1 3.83Å; V840-F1023 HydrophobicContact CG1-CE1 3.95Å; V840-F1027 HydrophobicContact CG1-CE2 4.36Å; V840-F1027 HydrophobicContact CG2-CE2 3.57Å; V840-F1027 HydrophobicContact CG2-CZ 3.97Å |
| 841 | L | 97.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 173 | -71.3 | 171.7 | 0 | 0 | 0 | 112.2 | T837 L838 I843 M844 D845 P859 Y929 S932 F959 | T837-L841 WeakPolarHBondContact O-CG 3.19Å; T837-L841 PolarHBondContact O-N 3.36Å; L838-L841 HydrophobicContact CD2-CD1 4.37Å; L838-L841 WeakPolarHBondContact O-CB 3.5Å; L838-L841 PolarHBondContact O-N 3.03Å; L841-I843 VanDerWaalsContact C-N 3.29Å; L841-I843 PolarHBondContact O-N 3.27Å; L841-M844 PolarHBondContact O-N 2.88Å; L841-D845 WeakPolarHBondContact O-CB 3.48Å; L841-D845 PolarHBondContact O-N 3.36Å; L841-P859 HydrophobicContact CB-CB 4.16Å; L841-Y929 HydrophobicContact CD1-CE1 3.98Å; L841-Y929 HydrophobicContact CD2-CE1 4.44Å; L841-S932 VanDerWaalsContact CD2-CB 3.42Å; L841-S932 WeakPolarHBondContact CD2-OG 3.22Å; L841-F959 HydrophobicContact CD1-CE1 4.44Å; L841-F959 HydrophobicContact CD1-CE2 4.43Å; L841-F959 HydrophobicContact CD1-CZ 3.9Å |
| 842 | K | 96.8 | Very high | 95.1 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 24% | 0.239 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -38.4 | 173.4 | -70.9 | 178.5 | -179.4 | -179.8 | 0 | 112.1 | M660 L838 Q839 V840 S846 P859 | M660-K842 HydrophobicContact SD-CB 3.92Å; L838-K842 WeakPolarHBondContact O-CG 3.36Å; L838-K842 PolarHBondContact O-N 2.82Å; Q839-K842 PolarHBondContact O-N 3.19Å; V840-K842 VanDerWaalsContact C-N 3.34Å; V840-K842 PolarHBondContact O-N 3.38Å; K842-S846 WeakPolarHBondContact O-CB 3.17Å; K842-S846 PolarHBondContact O-N 3.25Å; K842-P859 HydrophobicContact CD-CB 4.48Å; K842-P859 WeakPolarHBondContact CE-O 3.49Å; K842-P859 HydrophobicContact CG-CB 3.57Å; K842-P859 HydrophobicContact CG-CG 3.52Å |
| 843 | I | 96.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71 | -44 | 178 | -66.5 | 163.2 | 0 | 0 | 0 | 110.8 | M660 Y661 Y664 Q839 V840 L841 D845 S846 I847 I1022 F1023 L1026 | M660-I843 HydrophobicContact CG-CG1 3.9Å; M660-I843 HydrophobicContact SD-CG1 4.09Å; Y661-I843 HydrophobicContact CD1-CD1 4.15Å; Y661-I843 HydrophobicContact CE1-CD1 3.77Å; Y661-I843 HydrophobicContact CE1-CG1 4.16Å; Y664-I843 HydrophobicContact CE2-CD1 4.01Å; Q839-I843 HydrophobicContact CG-CD1 4.43Å; Q839-I843 WeakPolarHBondContact O-CG1 3.47Å; Q839-I843 PolarHBondContact O-N 2.83Å; Q839-I843 VanDerWaalsContact O-N 3.09Å; V840-I843 PolarHBondContact O-N 3.09Å; V840-I843 VanDerWaalsContact O-N 3.12Å; L841-I843 VanDerWaalsContact C-N 3.29Å; L841-I843 PolarHBondContact O-N 3.27Å; I843-D845 VanDerWaalsContact C-N 3.34Å; I843-D845 PolarHBondContact O-N 2.94Å; I843-S846 PolarHBondContact O-N 3.26Å; I843-I847 HydrophobicContact CG2-CD1 3.82Å; I843-I847 HydrophobicContact CG2-CG1 4.46Å; I843-I847 VanDerWaalsContact O-CG1 3.29Å; I843-I847 WeakPolarHBondContact O-CG1 3.4Å; I843-I847 PolarHBondContact O-N 2.93Å; I843-I1022 HydrophobicContact CG2-CG2 4.18Å; I843-F1023 HydrophobicContact CG2-CE1 4.15Å; I843-L1026 HydrophobicContact CD1-CD1 3.61Å |
| 844 | M | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 173.9 | -71.1 | 178 | 172.3 | 0 | 0 | 111.2 | V840 L841 S846 I847 W848 V935 L936 L1016 F1023 | V840-M844 HydrophobicContact CG1-CE 3.83Å; V840-M844 HydrophobicContact CG1-CG 4.35Å; V840-M844 HydrophobicContact CG1-SD 4.34Å; V840-M844 WeakPolarHBondContact O-CG 3.24Å; V840-M844 PolarHBondContact O-N 3.07Å; L841-M844 PolarHBondContact O-N 2.88Å; M844-S846 VanDerWaalsContact C-N 3.35Å; M844-S846 PolarHBondContact O-N 3.06Å; M844-I847 PolarHBondContact O-N 2.75Å; M844-W848 HydrophobicContact CB-CE3 4.24Å; M844-W848 HydrophobicContact CB-CH2 4.23Å; M844-W848 HydrophobicContact CB-CZ3 4.05Å; M844-W848 PolarHBondContact O-N 2.98Å; M844-V935 HydrophobicContact CE-CB 4.25Å; M844-V935 HydrophobicContact CE-CG1 3.83Å; M844-L936 HydrophobicContact CE-CD1 4.32Å; M844-L936 HydrophobicContact CE-CD2 4.23Å; M844-L936 HydrophobicContact CE-CG 4.02Å; M844-L1016 HydrophobicContact CB-CD2 4.26Å; M844-L1016 HydrophobicContact CE-CD1 3.88Å; M844-L1016 HydrophobicContact CG-CD1 4.18Å; M844-L1016 HydrophobicContact CG-CD2 3.99Å; M844-L1016 HydrophobicContact SD-CD1 3.93Å; M844-F1023 HydrophobicContact CE-CD1 4.29Å; M844-F1023 HydrophobicContact CE-CE1 3.94Å; M844-F1023 HydrophobicContact CE-CZ 4.2Å; M844-F1023 HydrophobicContact CG-CE1 3.55Å; M844-F1023 HydrophobicContact CG-CZ 3.6Å |
| 845 | D | 96.9 | Very high | 95.4 | Very high | 19 Ų | 19 | 35 Ų | 35 | 10% | 0.102 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.6 | -44.8 | 175.7 | -174.1 | 58.9 | 0 | 0 | 0 | 111.9 | L841 I843 I847 W848 K849 L857 | L841-D845 WeakPolarHBondContact O-CB 3.48Å; L841-D845 PolarHBondContact O-N 3.36Å; I843-D845 VanDerWaalsContact C-N 3.34Å; I843-D845 PolarHBondContact O-N 2.94Å; D845-I847 PolarHBondContact O-N 3.45Å; D845-W848 PolarHBondContact O-N 2.96Å; D845-K849 WeakPolarHBondContact O-CB 3.23Å; D845-K849 VanDerWaalsContact O-CG 3.29Å; D845-K849 WeakPolarHBondContact O-CG 3.47Å; D845-K849 PolarHBondContact O-N 2.95Å; D845-K849 VanDerWaalsContact OD1-CE 3.31Å; D845-K849 WeakPolarHBondContact OD1-CE 3.2Å; D845-K849 IonicContact OD1-NZ 2.69Å; D845-K849 PolarHBondContact OD1-NZ 3.48Å; D845-K849 WeakPolarHBondContact OD2-CE 3.16Å; D845-K849 IonicContact OD2-NZ 3.42Å; D845-K849 PolarHBondContact OD2-NZ 2.82Å; D845-L857 HydrophobicContact CB-CB 4.4Å; D845-L857 HydrophobicContact CB-CD1 3.85Å; D845-L857 HydrophobicContact CB-CG 4.45Å |
| 846 | S | 94 | Very high | 95.3 | Very high | 60 Ų | 60 | 35.3 Ų | 35.3 | 42% | 0.42 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.5 | -39.6 | 176.2 | -175.1 | 0 | 0 | 0 | 0 | 112.9 | K842 I843 M844 S850 | K842-S846 WeakPolarHBondContact O-CB 3.17Å; K842-S846 PolarHBondContact O-N 3.25Å; I843-S846 PolarHBondContact O-N 3.26Å; M844-S846 VanDerWaalsContact C-N 3.35Å; M844-S846 PolarHBondContact O-N 3.06Å; S846-S850 PolarHBondContact O-N 3Å; S846-S850 VanDerWaalsContact O-N 3.09Å |
| 847 | I | 95.8 | Very high | 95.3 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67 | -47.9 | 178.3 | -69.7 | 165 | 0 | 0 | 0 | 109.7 | I843 M844 D845 K849 S850 D851 V1015 N1019 I1022 F1023 | I843-I847 HydrophobicContact CG2-CD1 3.82Å; I843-I847 HydrophobicContact CG2-CG1 4.46Å; I843-I847 VanDerWaalsContact O-CG1 3.29Å; I843-I847 WeakPolarHBondContact O-CG1 3.4Å; I843-I847 PolarHBondContact O-N 2.93Å; M844-I847 PolarHBondContact O-N 2.75Å; D845-I847 PolarHBondContact O-N 3.45Å; I847-K849 PolarHBondContact O-N 3.23Å; I847-S850 WeakPolarHBondContact O-CB 3.23Å; I847-S850 PolarHBondContact O-N 3.4Å; I847-S850 VanDerWaalsContact O-N 3.13Å; I847-S850 PolarHBondContact O-OG 3.24Å; I847-D851 PolarHBondContact O-N 3.34Å; I847-V1015 HydrophobicContact CG2-CG1 3.63Å; I847-N1019 HydrophobicContact CD1-CB 4.32Å; I847-N1019 HydrophobicContact CG2-CB 4.29Å; I847-I1022 HydrophobicContact CD1-CD1 3.96Å; I847-F1023 HydrophobicContact CD1-CE1 4.35Å; I847-F1023 HydrophobicContact CD1-CE2 4.23Å; I847-F1023 HydrophobicContact CD1-CZ 3.65Å |
| 848 | W | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 177.4 | -70.6 | -38.5 | 0 | 0 | 0 | 112.7 | M844 D845 S850 D851 E852 M853 F855 L857 G928 V931 S932 A1012 L1016 | M844-W848 HydrophobicContact CB-CE3 4.24Å; M844-W848 HydrophobicContact CB-CH2 4.23Å; M844-W848 HydrophobicContact CB-CZ3 4.05Å; M844-W848 PolarHBondContact O-N 2.98Å; D845-W848 PolarHBondContact O-N 2.96Å; W848-S850 PolarHBondContact O-N 3.49Å; W848-D851 CarbonylContact O-C 3.27Å; W848-D851 WeakPolarHBondContact O-CA 3.46Å; W848-D851 PolarHBondContact O-N 3.48Å; W848-E852 PolarHBondContact O-N 3.19Å; W848-M853 CarbonylContact C-O 3.49Å; W848-M853 HydrophobicContact CB-CB 4.34Å; W848-M853 WeakPolarHBondContact CB-O 3.47Å; W848-M853 HydrophobicContact CG-CE 4.46Å; W848-M853 PolarHBondContact O-N 3.36Å; W848-M853 VanDerWaalsContact O-O 3.13Å; W848-F855 HydrophobicContact CB-CD2 3.68Å; W848-F855 HydrophobicContact CB-CE2 3.7Å; W848-F855 AromaticContact CD1-CE2 3.75Å; W848-F855 AromaticContact CD2-CD2 3.43Å; W848-F855 HydrophobicContact CD2-CD2 3.43Å; W848-F855 VanDerWaalsContact CD2-CD2 3.43Å; W848-F855 AromaticContact CD2-CE2 3.58Å; W848-F855 HydrophobicContact CD2-CE2 3.58Å; W848-F855 HydrophobicContact CD2-CG 4.48Å; W848-F855 HydrophobicContact CE3-CB 4.35Å; W848-F855 AromaticContact CE3-CD2 3.4Å; W848-F855 HydrophobicContact CE3-CD2 3.4Å; W848-F855 VanDerWaalsContact CE3-CD2 3.4Å; W848-F855 HydrophobicContact CE3-CE2 4.06Å; W848-F855 HydrophobicContact CE3-CG 4.13Å; W848-F855 AromaticContact CG-CD2 3.58Å; W848-F855 HydrophobicContact CG-CD2 3.58Å; W848-F855 AromaticContact CG-CE2 3.42Å; W848-F855 HydrophobicContact CG-CE2 3.42Å; W848-F855 VanDerWaalsContact CG-CE2 3.42Å; W848-F855 HydrophobicContact CZ3-CD2 4.11Å; W848-F855 HydrophobicContact CZ3-CG 4.47Å; W848-L857 HydrophobicContact CE3-CD1 4.04Å; W848-L857 HydrophobicContact CZ3-CD1 3.51Å; W848-L857 HydrophobicContact CZ3-CD2 4.43Å; W848-L857 HydrophobicContact CZ3-CG 4.19Å; W848-G928 WeakPolarHBondContact CH2-O 3.46Å; W848-V931 HydrophobicContact CZ2-CB 4.33Å; W848-V931 HydrophobicContact CZ2-CG1 3.99Å; W848-S932 WeakPolarHBondContact CH2-OG 3.05Å; W848-A1012 HydrophobicContact CZ2-CB 4.24Å; W848-A1012 PolarHBondContact NE1-O 2.79Å; W848-L1016 HydrophobicContact CH2-CD1 4.29Å; W848-L1016 HydrophobicContact CZ2-CD1 3.55Å; W848-L1016 HydrophobicContact CZ2-CD2 3.91Å; W848-L1016 HydrophobicContact CZ2-CG 3.72Å |
| 849 | K | 92.9 | Very high | 95.2 | Very high | 98 Ų | 98 | 37.5 Ų | 37.5 | 43% | 0.426 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.9 | -32.4 | 175.8 | -75.7 | 171.6 | 176.3 | 167.3 | 0 | 112.7 | D845 I847 D851 E852 M853 D854 | D845-K849 WeakPolarHBondContact O-CB 3.23Å; D845-K849 VanDerWaalsContact O-CG 3.29Å; D845-K849 WeakPolarHBondContact O-CG 3.47Å; D845-K849 PolarHBondContact O-N 2.95Å; D845-K849 VanDerWaalsContact OD1-CE 3.31Å; D845-K849 WeakPolarHBondContact OD1-CE 3.2Å; D845-K849 IonicContact OD1-NZ 2.69Å; D845-K849 PolarHBondContact OD1-NZ 3.48Å; D845-K849 WeakPolarHBondContact OD2-CE 3.16Å; D845-K849 IonicContact OD2-NZ 3.42Å; D845-K849 PolarHBondContact OD2-NZ 2.82Å; I847-K849 PolarHBondContact O-N 3.23Å; K849-D851 PolarHBondContact O-N 3.28Å; K849-E852 PolarHBondContact O-N 2.83Å; K849-M853 PolarHBondContact N-O 3.31Å; K849-D854 WeakPolarHBondContact CE-OD1 3.45Å; K849-D854 IonicContact NZ-OD1 3.37Å |
| 850 | S | 90.9 | Very high | 95.2 | Very high | 97 Ų | 97 | 36.7 Ų | 36.7 | 68% | 0.678 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -68.9 | -21.6 | 174.2 | 77.8 | 0 | 0 | 0 | 0 | 113.5 | S846 I847 W848 E852 | S846-S850 PolarHBondContact O-N 3Å; S846-S850 VanDerWaalsContact O-N 3.09Å; I847-S850 WeakPolarHBondContact O-CB 3.23Å; I847-S850 PolarHBondContact O-N 3.4Å; I847-S850 VanDerWaalsContact O-N 3.13Å; I847-S850 PolarHBondContact O-OG 3.24Å; W848-S850 PolarHBondContact O-N 3.49Å; S850-E852 VanDerWaalsContact C-N 3.34Å |
| 851 | D | 91.6 | Very high | 95.1 | Very high | 86 Ų | 86 | 38.8 Ų | 38.8 | 46% | 0.46 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 20.7 | 173.2 | -150.5 | 66.1 | 0 | 0 | 0 | 112 | I847 W848 K849 M853 V1015 | I847-D851 PolarHBondContact O-N 3.34Å; W848-D851 CarbonylContact O-C 3.27Å; W848-D851 WeakPolarHBondContact O-CA 3.46Å; W848-D851 PolarHBondContact O-N 3.48Å; K849-D851 PolarHBondContact O-N 3.28Å; D851-M853 HydrophobicContact CB-CE 4.26Å; D851-M853 PolarHBondContact O-N 3.21Å; D851-V1015 HydrophobicContact CB-CG1 4.39Å; D851-V1015 HydrophobicContact CB-CG2 4.26Å; D851-V1015 VanDerWaalsContact OD2-CG2 3.28Å; D851-V1015 WeakPolarHBondContact OD2-CG2 3.35Å |
| 852 | E | 92.6 | Very high | 95.1 | Very high | 163 Ų | 163 | 39 Ų | 39 | 76% | 0.762 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 23.2 | 179.6 | -53.3 | -175.1 | 177.6 | 0 | 0 | 115 | W848 K849 S850 | W848-E852 PolarHBondContact O-N 3.19Å; K849-E852 PolarHBondContact O-N 2.83Å; S850-E852 VanDerWaalsContact C-N 3.34Å |
| 853 | M | 93.2 | Very high | 95.1 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | trans | -111.9 | 111.9 | 175.3 | -62 | -172.2 | -66.3 | 0 | 0 | 111.5 | W848 K849 D851 F855 E1011 V1015 | W848-M853 CarbonylContact C-O 3.49Å; W848-M853 HydrophobicContact CB-CB 4.34Å; W848-M853 WeakPolarHBondContact CB-O 3.47Å; W848-M853 HydrophobicContact CG-CE 4.46Å; W848-M853 PolarHBondContact O-N 3.36Å; W848-M853 VanDerWaalsContact O-O 3.13Å; K849-M853 PolarHBondContact N-O 3.31Å; D851-M853 HydrophobicContact CB-CE 4.26Å; D851-M853 PolarHBondContact O-N 3.21Å; M853-F855 HydrophobicContact CB-CD2 4.32Å; M853-F855 HydrophobicContact CB-CE2 3.61Å; M853-F855 HydrophobicContact CB-CZ 4.05Å; M853-F855 HydrophobicContact CE-CE2 4.08Å; M853-F855 HydrophobicContact CE-CZ 4.31Å; M853-F855 HydrophobicContact CG-CE2 4.47Å; M853-F855 HydrophobicContact SD-CE2 4.1Å; M853-F855 HydrophobicContact SD-CZ 3.86Å; M853-E1011 HydrophobicContact SD-CB 4.32Å; M853-V1015 HydrophobicContact CE-CB 3.96Å; M853-V1015 HydrophobicContact CE-CG1 4.39Å; M853-V1015 HydrophobicContact CE-CG2 3.37Å | ||
| 854 | D | 94.3 | Very high | 95 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 33% | 0.326 | 20% | 0.202 | S | C | . | . | trans | -98.9 | 110.2 | 170 | -177 | 19.3 | 0 | 0 | 0 | 110.5 | K849 C856 K924 | K849-D854 WeakPolarHBondContact CE-OD1 3.45Å; K849-D854 IonicContact NZ-OD1 3.37Å; D854-C856 VanDerWaalsContact C-N 3.3Å; D854-C856 PolarHBondContact OD1-N 2.9Å; D854-K924 WeakPolarHBondContact O-CD 3.32Å | ||
| 855 | F | 95.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | trans | -86.6 | 1.5 | 175.8 | -68.3 | -78.8 | 0 | 0 | 0 | 112.9 | W848 M853 L857 K924 S925 A927 L1008 A1012 | W848-F855 HydrophobicContact CB-CD2 3.68Å; W848-F855 HydrophobicContact CB-CE2 3.7Å; W848-F855 AromaticContact CD1-CE2 3.75Å; W848-F855 AromaticContact CD2-CD2 3.43Å; W848-F855 HydrophobicContact CD2-CD2 3.43Å; W848-F855 VanDerWaalsContact CD2-CD2 3.43Å; W848-F855 AromaticContact CD2-CE2 3.58Å; W848-F855 HydrophobicContact CD2-CE2 3.58Å; W848-F855 HydrophobicContact CD2-CG 4.48Å; W848-F855 HydrophobicContact CE3-CB 4.35Å; W848-F855 AromaticContact CE3-CD2 3.4Å; W848-F855 HydrophobicContact CE3-CD2 3.4Å; W848-F855 VanDerWaalsContact CE3-CD2 3.4Å; W848-F855 HydrophobicContact CE3-CE2 4.06Å; W848-F855 HydrophobicContact CE3-CG 4.13Å; W848-F855 AromaticContact CG-CD2 3.58Å; W848-F855 HydrophobicContact CG-CD2 3.58Å; W848-F855 AromaticContact CG-CE2 3.42Å; W848-F855 HydrophobicContact CG-CE2 3.42Å; W848-F855 VanDerWaalsContact CG-CE2 3.42Å; W848-F855 HydrophobicContact CZ3-CD2 4.11Å; W848-F855 HydrophobicContact CZ3-CG 4.47Å; M853-F855 HydrophobicContact CB-CD2 4.32Å; M853-F855 HydrophobicContact CB-CE2 3.61Å; M853-F855 HydrophobicContact CB-CZ 4.05Å; M853-F855 HydrophobicContact CE-CE2 4.08Å; M853-F855 HydrophobicContact CE-CZ 4.31Å; M853-F855 HydrophobicContact CG-CE2 4.47Å; M853-F855 HydrophobicContact SD-CE2 4.1Å; M853-F855 HydrophobicContact SD-CZ 3.86Å; F855-L857 HydrophobicContact CB-CD2 4.32Å; F855-L857 HydrophobicContact CB-CG 4.3Å; F855-L857 PolarHBondContact O-N 2.88Å; F855-K924 WeakPolarHBondContact CD1-O 3.46Å; F855-K924 CarbonylContact O-C 3.58Å; F855-S925 WeakPolarHBondContact O-CA 3.3Å; F855-S925 PolarHBondContact O-N 2.85Å; F855-A927 HydrophobicContact CD1-CB 4.19Å; F855-A927 HydrophobicContact CE1-CB 4.22Å; F855-L1008 HydrophobicContact CE1-CD1 3.69Å; F855-L1008 HydrophobicContact CE1-CD2 4.41Å; F855-L1008 HydrophobicContact CE1-CG 3.88Å; F855-L1008 HydrophobicContact CZ-CD1 4.17Å; F855-A1012 HydrophobicContact CE1-CB 3.79Å; F855-A1012 HydrophobicContact CE2-CB 3.89Å; F855-A1012 HydrophobicContact CZ-CB 3.29Å | ||
| 856 | C | 94.2 | Very high | 94.4 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 14% | 0.135 | 20% | 0.204 | C | C | . | . | trans | 54.9 | 37.1 | -179.2 | -50.6 | 0 | 0 | 0 | 0 | 112.9 | D854 R953 | D854-C856 VanDerWaalsContact C-N 3.3Å; D854-C856 PolarHBondContact OD1-N 2.9Å; C856-R953 HydrophobicContact CB-CG 4.13Å | ||
| 857 | L | 95.9 | Very high | 94 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | trans | -61.2 | 151.6 | 176.7 | -65.5 | -170.3 | 0 | 0 | 0 | 111 | D845 W848 F855 P859 Y929 | D845-L857 HydrophobicContact CB-CB 4.4Å; D845-L857 HydrophobicContact CB-CD1 3.85Å; D845-L857 HydrophobicContact CB-CG 4.45Å; W848-L857 HydrophobicContact CE3-CD1 4.04Å; W848-L857 HydrophobicContact CZ3-CD1 3.51Å; W848-L857 HydrophobicContact CZ3-CD2 4.43Å; W848-L857 HydrophobicContact CZ3-CG 4.19Å; F855-L857 HydrophobicContact CB-CD2 4.32Å; F855-L857 HydrophobicContact CB-CG 4.3Å; F855-L857 PolarHBondContact O-N 2.88Å; L857-P859 WeakPolarHBondContact O-CD 3.31Å; L857-Y929 HydrophobicContact CD2-CD2 3.76Å; L857-Y929 HydrophobicContact CD2-CE2 3.68Å; L857-Y929 HydrophobicContact CD2-CG 4.4Å | ||
| 858 | T | 95.6 | Very high | 93.7 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | trans | -122.6 | 69.8 | 177.8 | -51.8 | 0 | 0 | 0 | 0 | 110.6 | Y860 V875 Y929 | T858-Y860 PolarHBondContact O-N 3.26Å; T858-V875 HydrophobicContact CG2-CG1 3.96Å; T858-V875 HydrophobicContact CG2-CG2 3.91Å; T858-Y929 PolarHBondContact N-OH 3.5Å; T858-Y929 PolarHBondContact O-OH 3.34Å | ||
| 859 | P | 95.3 | Very high | 93.5 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 17% | 0.169 | 24% | 0.235 | C | C | . | . | trans | -78.6 | 87.5 | 177.1 | 33.4 | -34.5 | 0 | 0 | 0 | 110.6 | L841 K842 L857 | L841-P859 HydrophobicContact CB-CB 4.16Å; K842-P859 HydrophobicContact CD-CB 4.48Å; K842-P859 WeakPolarHBondContact CE-O 3.49Å; K842-P859 HydrophobicContact CG-CB 3.57Å; K842-P859 HydrophobicContact CG-CG 3.52Å; L857-P859 WeakPolarHBondContact O-CD 3.31Å | ||
| 860 | Y | 96.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | trans | -61.7 | 163.6 | 175.3 | 61.3 | -91.9 | 0 | 0 | 0 | 112.1 | L838 T858 I872 V875 F955 I957 F959 | L838-Y860 HydrophobicContact CD1-CD2 3.86Å; L838-Y860 HydrophobicContact CD1-CE2 3.44Å; L838-Y860 VanDerWaalsContact CD1-CE2 3.44Å; L838-Y860 HydrophobicContact CD2-CD1 3.92Å; L838-Y860 HydrophobicContact CD2-CD2 4.27Å; L838-Y860 HydrophobicContact CD2-CE1 3.7Å; L838-Y860 HydrophobicContact CD2-CE2 4.08Å; L838-Y860 HydrophobicContact CD2-CG 4.19Å; L838-Y860 HydrophobicContact CG-CE2 4.38Å; T858-Y860 PolarHBondContact O-N 3.26Å; Y860-I872 HydrophobicContact CD2-CG2 3.66Å; Y860-I872 HydrophobicContact CE2-CG2 3.52Å; Y860-V875 HydrophobicContact CD1-CG2 4.41Å; Y860-V875 HydrophobicContact CG-CG2 4.44Å; Y860-F955 HydrophobicContact CD1-CD2 4.33Å; Y860-F955 HydrophobicContact CD1-CE2 4.48Å; Y860-F955 HydrophobicContact CE1-CD2 4.42Å; Y860-I957 HydrophobicContact CE1-CB 4.46Å; Y860-I957 HydrophobicContact CE1-CG2 3.74Å; Y860-I957 WeakPolarHBondContact OH-CA 3.5Å; Y860-F959 HydrophobicContact CE1-CE2 4.46Å | ||
| 861 | T | 95.5 | Very high | 94 | Very high | 45 Ų | 45 | 35.8 Ų | 35.8 | 28% | 0.276 | 18% | 0.183 | S | C | . | . | trans | -88.5 | 129.8 | -177.8 | -51.1 | 0 | 0 | 0 | 0 | 111.2 | L780 I872 E873 | L780-T861 HydrophobicContact CD1-CG2 3.69Å; L780-T861 HydrophobicContact CG-CG2 4.13Å; T861-I872 WeakPolarHBondContact O-CA 3.49Å; T861-E873 WeakPolarHBondContact CB-OE2 3.44Å; T861-E873 PolarHBondContact N-OE2 3.32Å; T861-E873 WeakPolarHBondContact O-CB 3.43Å; T861-E873 PolarHBondContact O-N 3.02Å; T861-E873 PolarHBondContact OG1-OE2 2.8Å | ||
| 862 | S | 96.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 121.2 | 169.5 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | M835 | M835-S862 WeakPolarHBondContact CG-O 3.27Å |
| 863 | L | 96.7 | Very high | 94.4 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 111.8 | -177.5 | -174.9 | 63.9 | 0 | 0 | 0 | 110.1 | L696 W699 P779 L780 M865 G870 M871 | L696-L863 HydrophobicContact CD1-CD1 3.71Å; W699-L863 HydrophobicContact CB-CD1 4.06Å; W699-L863 HydrophobicContact CB-CD2 4.01Å; W699-L863 HydrophobicContact CB-CG 4.24Å; W699-L863 HydrophobicContact CG-CD2 3.93Å; P779-L863 WeakPolarHBondContact O-CD2 3.47Å; L780-L863 HydrophobicContact CD1-CB 3.55Å; L863-M865 HydrophobicContact CB-CE 4.23Å; L863-M865 HydrophobicContact CD2-CE 3.81Å; L863-M865 HydrophobicContact CG-CE 4.17Å; L863-G870 VanDerWaalsContact O-CA 3.32Å; L863-G870 WeakPolarHBondContact O-CA 3.48Å; L863-M871 PolarHBondContact N-O 3.33Å; L863-M871 PolarHBondContact O-N 3.38Å |
| 864 | P | 95.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 133.3 | 170.9 | 31.9 | -34.9 | 0 | 0 | 0 | 109.9 | V703 L831 R832 M835 | V703-P864 HydrophobicContact CG2-CB 3.79Å; V703-P864 HydrophobicContact CG2-CG 4.21Å; L831-P864 HydrophobicContact CB-CB 4.19Å; R832-P864 HydrophobicContact CG-CB 4.09Å; R832-P864 HydrophobicContact CG-CG 3.91Å; M835-P864 HydrophobicContact CE-CG 3.61Å; M835-P864 WeakPolarHBondContact SD-CD 3.32Å; M835-P864 HydrophobicContact SD-CG 3.89Å |
| 865 | M | 93.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | -5.5 | -173.8 | -67 | 172.9 | 179.1 | 0 | 0 | 112.8 | W699 R702 V739 P779 L863 I869 M871 | W699-M865 HydrophobicContact CD2-CG 4.13Å; W699-M865 HydrophobicContact CE3-CB 3.74Å; W699-M865 HydrophobicContact CE3-CG 3.7Å; W699-M865 HydrophobicContact CH2-CB 4.32Å; W699-M865 HydrophobicContact CH2-CG 4.31Å; W699-M865 HydrophobicContact CZ3-CB 3.55Å; W699-M865 HydrophobicContact CZ3-CG 3.81Å; R702-M865 PolarHBondContact NH1-O 3.23Å; V739-M865 HydrophobicContact CG1-CB 4.09Å; V739-M865 HydrophobicContact CG2-SD 3.56Å; V739-M865 VanDerWaalsContact CG2-SD 3.56Å; P779-M865 HydrophobicContact CB-CE 3.49Å; P779-M865 VanDerWaalsContact CB-CE 3.49Å; P779-M865 HydrophobicContact CB-SD 4.02Å; L863-M865 HydrophobicContact CB-CE 4.23Å; L863-M865 HydrophobicContact CD2-CE 3.81Å; L863-M865 HydrophobicContact CG-CE 4.17Å; M865-I869 PolarHBondContact N-O 3.44Å; M865-M871 HydrophobicContact CE-CB 3.77Å; M865-M871 HydrophobicContact CE-CG 3.77Å; M865-M871 HydrophobicContact CE-SD 3.67Å; M865-M871 HydrophobicContact SD-CB 4.25Å; M865-M871 HydrophobicContact SD-CE 4.26Å; M865-M871 HydrophobicContact SD-CG 3.74Å; M865-M871 HydrophobicContact SD-SD 3.91Å |
| 866 | G | 88.6 | Confident | 94.4 | Very high | 14 Ų | 14 | 30.4 Ų | 30.4 | 14% | 0.144 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | -175.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | H868 I869 | G866-H868 PolarHBondContact O-N 3.5Å; G866-H868 VanDerWaalsContact O-N 3.1Å; G866-I869 PolarHBondContact N-O 2.87Å; G866-I869 PolarHBondContact O-N 2.99Å |
| 867 | K | 85.4 | Confident | 94.2 | Very high | 148 Ų | 148 | 35.4 Ų | 35.4 | 64% | 0.643 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 114.4 | 178.7 | -174.1 | 177.6 | 180 | -179.3 | 0 | 110.4 | I869 | K867-I869 PolarHBondContact O-N 3.45Š|
| 868 | H | 90.4 | Very high | 94.2 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 36% | 0.361 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 27.5 | -177.2 | -51.7 | -59.4 | 0 | 0 | 0 | 115 | M827 G828 D829 G866 | M827-H868 CarbonylContact C-O 3.6Å; M827-H868 WeakPolarHBondContact CA-O 3.48Å; G828-H868 PolarHBondContact N-O 3.28Å; D829-H868 CarbonylContact O-C 3.58Å; D829-H868 VanDerWaalsContact O-C 3.25Å; D829-H868 WeakPolarHBondContact O-CA 3.5Å; G866-H868 PolarHBondContact O-N 3.5Å; G866-H868 VanDerWaalsContact O-N 3.1Å |
| 869 | I | 93.1 | Very high | 94.1 | Very high | 27 Ų | 27 | 39 Ų | 39 | 14% | 0.138 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.1 | -179.7 | -63.6 | 157.6 | 0 | 0 | 0 | 108.9 | V739 T743 F825 K826 M827 M865 G866 K867 | V739-I869 HydrophobicContact CG1-CG2 4.37Å; T743-I869 HydrophobicContact CG2-CD1 3.5Å; T743-I869 VanDerWaalsContact CG2-CD1 3.5Å; T743-I869 HydrophobicContact CG2-CG1 4.44Å; F825-I869 HydrophobicContact CE1-CG2 4.44Å; F825-I869 HydrophobicContact CE2-CG2 3.79Å; F825-I869 HydrophobicContact CZ-CG2 3.51Å; K826-I869 WeakPolarHBondContact O-CA 3.49Å; M827-I869 HydrophobicContact CB-CG1 4.23Å; M827-I869 HydrophobicContact CG-CG1 3.98Å; M865-I869 PolarHBondContact N-O 3.44Å; G866-I869 PolarHBondContact N-O 2.87Å; G866-I869 PolarHBondContact O-N 2.99Å; K867-I869 PolarHBondContact O-N 3.45Å |
| 870 | G | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | -168.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K826 L863 | K826-G870 PolarHBondContact N-O 2.65Å; K826-G870 PolarHBondContact O-N 2.84Å; L863-G870 VanDerWaalsContact O-CA 3.32Å; L863-G870 WeakPolarHBondContact O-CA 3.48Å |
| 871 | M | 97.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.8 | -174.9 | -70.6 | -177.7 | 179.9 | 0 | 0 | 111.1 | V739 L742 P779 L780 I823 L824 F825 L863 M865 | V739-M871 HydrophobicContact CG2-CE 4.16Å; L742-M871 HydrophobicContact CD1-CE 3.67Å; P779-M871 HydrophobicContact CB-CE 4.39Å; P779-M871 HydrophobicContact CB-SD 4.05Å; P779-M871 HydrophobicContact CG-CE 4.12Å; P779-M871 HydrophobicContact CG-SD 4.25Å; L780-M871 HydrophobicContact CB-CB 4.38Å; L780-M871 HydrophobicContact CD1-CB 4.15Å; I823-M871 HydrophobicContact CG2-CB 3.75Å; I823-M871 HydrophobicContact CG2-CG 3.95Å; I823-M871 HydrophobicContact CG2-SD 4.03Å; L824-M871 CarbonylContact O-C 3.56Å; L824-M871 WeakPolarHBondContact O-CA 3.12Å; F825-M871 HydrophobicContact CD2-CE 3.99Å; F825-M871 HydrophobicContact CD2-CG 4.03Å; L863-M871 PolarHBondContact N-O 3.33Å; L863-M871 PolarHBondContact O-N 3.38Å; M865-M871 HydrophobicContact CE-CB 3.77Å; M865-M871 HydrophobicContact CE-CG 3.77Å; M865-M871 HydrophobicContact CE-SD 3.67Å; M865-M871 HydrophobicContact SD-CB 4.25Å; M865-M871 HydrophobicContact SD-CE 4.26Å; M865-M871 HydrophobicContact SD-CG 3.74Å; M865-M871 HydrophobicContact SD-SD 3.91Å |
| 872 | I | 97.6 | Very high | 93.6 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 9% | 0.087 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131.2 | 176.6 | -60.8 | 167.8 | 0 | 0 | 0 | 108.4 | L824 K826 L831 Y860 T861 | L824-I872 HydrophobicContact CB-CB 4.24Å; L824-I872 HydrophobicContact CD2-CD1 4.38Å; L824-I872 PolarHBondContact N-O 3.02Å; L824-I872 PolarHBondContact O-N 3.4Å; K826-I872 HydrophobicContact CD-CD1 4.19Å; L831-I872 HydrophobicContact CD1-CD1 4.41Å; L831-I872 HydrophobicContact CD1-CG1 4.17Å; L831-I872 HydrophobicContact CD2-CD1 3.94Å; L831-I872 HydrophobicContact CD2-CG1 4.48Å; Y860-I872 HydrophobicContact CD2-CG2 3.66Å; Y860-I872 HydrophobicContact CE2-CG2 3.52Å; T861-I872 WeakPolarHBondContact O-CA 3.49Å |
| 873 | E | 96.6 | Very high | 93.3 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 36% | 0.36 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 129.6 | 172.8 | 179.6 | -176.4 | 174.2 | 0 | 0 | 110.1 | L780 T861 | L780-E873 HydrophobicContact CD2-CB 3.85Å; T861-E873 WeakPolarHBondContact CB-OE2 3.44Å; T861-E873 PolarHBondContact N-OE2 3.32Å; T861-E873 WeakPolarHBondContact O-CB 3.43Å; T861-E873 PolarHBondContact O-N 3.02Å; T861-E873 PolarHBondContact OG1-OE2 2.8Å |
| 874 | I | 96.6 | Very high | 93 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | trans | -85.6 | 124.5 | 170.4 | -64.8 | -61.1 | 0 | 0 | 0 | 109.2 | L805 E822 L824 S876 | L805-I874 HydrophobicContact CD1-CD1 4.13Å; L805-I874 HydrophobicContact CD1-CG1 3.73Å; E822-I874 HydrophobicContact CB-CB 3.65Å; E822-I874 HydrophobicContact CB-CG1 4Å; E822-I874 HydrophobicContact CB-CG2 3.9Å; E822-I874 WeakPolarHBondContact O-CB 3.37Å; E822-I874 PolarHBondContact O-N 3.07Å; E822-I874 WeakPolarHBondContact OE2-CG2 3.32Å; L824-I874 HydrophobicContact CB-CD1 3.84Å; L824-I874 HydrophobicContact CB-CG1 4.36Å; I874-S876 PolarHBondContact O-N 3.49Å | ||
| 875 | V | 94.7 | Very high | 92.5 | Very high | 19 Ų | 19 | 43 Ų | 43 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | trans | -76.8 | 107.3 | 172 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | T858 Y860 S878 T949 F955 | T858-V875 HydrophobicContact CG2-CG1 3.96Å; T858-V875 HydrophobicContact CG2-CG2 3.91Å; Y860-V875 HydrophobicContact CD1-CG2 4.41Å; Y860-V875 HydrophobicContact CG-CG2 4.44Å; V875-S878 WeakPolarHBondContact O-CB 3.45Å; V875-S878 PolarHBondContact O-OG 2.97Å; V875-T949 HydrophobicContact CG1-CG2 3.94Å; V875-F955 HydrophobicContact CB-CE1 4.37Å; V875-F955 HydrophobicContact CB-CE2 4.18Å; V875-F955 HydrophobicContact CB-CZ 3.73Å; V875-F955 HydrophobicContact CG1-CE1 4.1Å; V875-F955 HydrophobicContact CG1-CZ 3.97Å; V875-F955 HydrophobicContact CG2-CE2 3.91Å; V875-F955 HydrophobicContact CG2-CZ 3.97Å | ||
| 876 | S | 90.8 | Very high | 92.1 | Very high | 66 Ų | 66 | 45 Ų | 45 | 46% | 0.462 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 154.3 | -179.2 | -50 | 0 | 0 | 0 | 0 | 112.8 | I874 S878 | I874-S876 PolarHBondContact O-N 3.49Å; S876-S878 PolarHBondContact O-N 3.25Å |
| 877 | N | 91 | Very high | 91.8 | Very high | 124 Ų | 124 | 47.3 Ų | 47.3 | 66% | 0.663 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 33.7 | 179.1 | -53.9 | -51.6 | 0 | 0 | 0 | 114.1 | T949 S950 | N877-T949 CarbonylContact O-C 3.58Å; N877-T949 WeakPolarHBondContact O-CA 3.47Å; N877-S950 WeakPolarHBondContact CB-OG 3.42Å; N877-S950 PolarHBondContact O-N 2.83Å |
| 878 | S | 94.8 | Very high | 91.5 | Very high | 24 Ų | 24 | 40.5 Ų | 40.5 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 152 | 176.8 | 70.7 | 0 | 0 | 0 | 0 | 111.8 | V875 S876 M947 I948 | V875-S878 WeakPolarHBondContact O-CB 3.45Å; V875-S878 PolarHBondContact O-OG 2.97Å; S876-S878 PolarHBondContact O-N 3.25Å; S878-M947 WeakPolarHBondContact OG-CE 3.27Å; S878-I948 WeakPolarHBondContact CA-O 3.46Å |
| 879 | K | 94.4 | Very high | 90.7 | Very high | 79 Ų | 79 | 37.1 Ų | 37.1 | 34% | 0.343 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 146.7 | 174.8 | -66.1 | -170.7 | 179.1 | -172.6 | 0 | 110.3 | E883 I884 I887 Y905 M947 I948 | K879-E883 WeakPolarHBondContact CA-OE2 3.47Å; K879-E883 HydrophobicContact CB-CB 4.32Å; K879-I884 HydrophobicContact CB-CD1 4.16Å; K879-I884 HydrophobicContact CB-CG1 3.79Å; K879-I887 HydrophobicContact CD-CD1 3.8Å; K879-Y905 HydrophobicContact CD-CE2 4.39Å; K879-M947 CarbonylContact O-C 3.59Å; K879-M947 VanDerWaalsContact O-CA 3.23Å; K879-M947 WeakPolarHBondContact O-CA 3.44Å; K879-I948 PolarHBondContact N-O 3.43Å; K879-I948 PolarHBondContact O-N 2.9Å |
| 880 | T | 94 | Very high | 89.4 | Confident | 17 Ų | 17 | 46.3 Ų | 46.3 | 10% | 0.104 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 153.9 | 171.1 | 66.7 | 0 | 0 | 0 | 0 | 110.5 | L882 E883 I884 I946 M947 | T880-L882 PolarHBondContact O-N 3.24Å; T880-E883 PolarHBondContact N-OE2 3.24Å; T880-E883 PolarHBondContact O-N 3.09Å; T880-E883 VanDerWaalsContact O-N 3.15Å; T880-E883 WeakPolarHBondContact OG1-CB 3.18Å; T880-E883 VanDerWaalsContact OG1-CG 3.23Å; T880-E883 WeakPolarHBondContact OG1-CG 3.39Å; T880-E883 PolarHBondContact OG1-N 3.16Å; T880-E883 VanDerWaalsContact OG1-N 3.14Å; T880-E883 PolarHBondContact OG1-OE2 3.32Å; T880-I884 WeakPolarHBondContact O-CG1 3.48Å; T880-I884 PolarHBondContact O-N 2.72Å; T880-I946 CarbonylContact C-O 3.54Å; T880-I946 WeakPolarHBondContact CA-O 3.43Å; T880-M947 HydrophobicContact CG2-CE 4.22Å; T880-M947 HydrophobicContact CG2-CG 3.96Å; T880-M947 HydrophobicContact CG2-SD 4.44Å |
| 881 | I | 92.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.6 | -39.2 | 172.9 | -70.8 | 178.5 | 0 | 0 | 0 | 110.5 | E883 I884 Q885 L902 P943 I946 I948 F985 W1082 | I881-E883 PolarHBondContact O-N 2.72Å; I881-I884 PolarHBondContact O-N 2.93Å; I881-Q885 HydrophobicContact CG2-CG 4.2Å; I881-Q885 WeakPolarHBondContact O-CB 3.33Å; I881-Q885 VanDerWaalsContact O-CG 3.27Å; I881-Q885 WeakPolarHBondContact O-CG 3.2Å; I881-Q885 PolarHBondContact O-N 3.47Å; I881-L902 HydrophobicContact CD1-CD1 4.14Å; I881-L902 HydrophobicContact CG1-CD1 4.18Å; I881-L902 HydrophobicContact CG1-CD2 4.4Å; I881-L902 HydrophobicContact CG2-CD1 4.2Å; I881-L902 HydrophobicContact CG2-CD2 4.14Å; I881-P943 HydrophobicContact CB-CB 4.1Å; I881-P943 WeakPolarHBondContact CB-O 3.43Å; I881-P943 HydrophobicContact CG2-CB 3.81Å; I881-P943 HydrophobicContact CG2-CG 4.41Å; I881-P943 PolarHBondContact N-O 2.98Å; I881-P943 VanDerWaalsContact N-O 3.11Å; I881-I946 HydrophobicContact CD1-CB 3.74Å; I881-I946 HydrophobicContact CD1-CD1 4.46Å; I881-I946 HydrophobicContact CD1-CG2 3.48Å; I881-I946 VanDerWaalsContact CD1-CG2 3.48Å; I881-I946 HydrophobicContact CG1-CB 4.28Å; I881-I946 HydrophobicContact CG1-CG2 4.14Å; I881-I946 PolarHBondContact N-O 2.91Å; I881-I948 HydrophobicContact CG1-CD1 4.37Å; I881-F985 HydrophobicContact CD1-CE1 3.49Å; I881-F985 VanDerWaalsContact CD1-CE1 3.49Å; I881-F985 HydrophobicContact CD1-CZ 3.54Å; I881-W1082 HydrophobicContact CD1-CH2 3.67Å; I881-W1082 HydrophobicContact CD1-CZ3 3.97Å; I881-W1082 HydrophobicContact CG2-CZ3 4.09Å |
| 882 | L | 89.3 | Confident | 85.2 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 177.7 | -176.4 | 63.2 | 0 | 0 | 0 | 112.3 | T880 S886 P943 H1089 | T880-L882 PolarHBondContact O-N 3.24Å; L882-S886 WeakPolarHBondContact O-CB 3.43Å; L882-S886 PolarHBondContact O-N 3.19Å; L882-S886 PolarHBondContact O-OG 3.05Å; L882-P943 HydrophobicContact CB-CB 4.05Å; L882-P943 PolarHBondContact N-O 2.68Å; L882-H1089 HydrophobicContact CD2-CB 4.19Å |
| 883 | E | 90.2 | Very high | 82.6 | Confident | 93 Ų | 93 | 57 Ų | 57 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 175.6 | -74.4 | 163.2 | 169.1 | 0 | 0 | 111.5 | K879 T880 I881 Q885 S886 I887 | K879-E883 WeakPolarHBondContact CA-OE2 3.47Å; K879-E883 HydrophobicContact CB-CB 4.32Å; T880-E883 PolarHBondContact N-OE2 3.24Å; T880-E883 PolarHBondContact O-N 3.09Å; T880-E883 VanDerWaalsContact O-N 3.15Å; T880-E883 WeakPolarHBondContact OG1-CB 3.18Å; T880-E883 VanDerWaalsContact OG1-CG 3.23Å; T880-E883 WeakPolarHBondContact OG1-CG 3.39Å; T880-E883 PolarHBondContact OG1-N 3.16Å; T880-E883 VanDerWaalsContact OG1-N 3.14Å; T880-E883 PolarHBondContact OG1-OE2 3.32Å; I881-E883 PolarHBondContact O-N 2.72Å; E883-Q885 PolarHBondContact O-N 3.37Å; E883-S886 WeakPolarHBondContact O-CB 3.07Å; E883-S886 PolarHBondContact O-N 3.22Å; E883-I887 WeakPolarHBondContact O-CD1 3.48Å; E883-I887 VanDerWaalsContact O-CG1 3.24Å; E883-I887 WeakPolarHBondContact O-CG1 3.4Å; E883-I887 PolarHBondContact O-N 2.9Å |
| 884 | I | 90.2 | Very high | 80.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 179.2 | -64.5 | 164.9 | 0 | 0 | 0 | 110.6 | K879 T880 I881 S886 I887 E888 L902 Y905 I948 | K879-I884 HydrophobicContact CB-CD1 4.16Å; K879-I884 HydrophobicContact CB-CG1 3.79Å; T880-I884 WeakPolarHBondContact O-CG1 3.48Å; T880-I884 PolarHBondContact O-N 2.72Å; I881-I884 PolarHBondContact O-N 2.93Å; I884-S886 VanDerWaalsContact C-N 3.26Å; I884-S886 PolarHBondContact O-N 3.35Å; I884-I887 PolarHBondContact O-N 3.47Å; I884-E888 HydrophobicContact CG2-CG 4.5Å; I884-E888 PolarHBondContact O-N 3.37Å; I884-L902 HydrophobicContact CB-CD2 3.95Å; I884-L902 HydrophobicContact CD1-CD2 4.31Å; I884-L902 HydrophobicContact CG2-CD2 3.58Å; I884-Y905 HydrophobicContact CB-CG 4.49Å; I884-Y905 HydrophobicContact CD1-CD1 3.67Å; I884-Y905 HydrophobicContact CD1-CE1 3.66Å; I884-Y905 HydrophobicContact CD1-CG 4.24Å; I884-Y905 HydrophobicContact CG1-CD1 4.05Å; I884-Y905 HydrophobicContact CG1-CD2 4.25Å; I884-Y905 HydrophobicContact CG1-CE1 4.08Å; I884-Y905 HydrophobicContact CG1-CE2 4.3Å; I884-Y905 HydrophobicContact CG1-CG 4.13Å; I884-Y905 VanDerWaalsContact CG2-CB 3.44Å; I884-Y905 HydrophobicContact CG2-CD1 4.04Å; I884-Y905 HydrophobicContact CG2-CD2 3.99Å; I884-Y905 HydrophobicContact CG2-CG 3.55Å; I884-I948 HydrophobicContact CD1-CB 3.89Å; I884-I948 HydrophobicContact CD1-CD1 4.14Å; I884-I948 HydrophobicContact CD1-CG1 4.33Å |
| 885 | Q | 86.1 | Confident | 78.1 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 176.5 | -74.2 | 176.2 | -23.1 | 0 | 0 | 111.6 | I881 E883 G889 L901 | I881-Q885 HydrophobicContact CG2-CG 4.2Å; I881-Q885 WeakPolarHBondContact O-CB 3.33Å; I881-Q885 VanDerWaalsContact O-CG 3.27Å; I881-Q885 WeakPolarHBondContact O-CG 3.2Å; I881-Q885 PolarHBondContact O-N 3.47Å; E883-Q885 PolarHBondContact O-N 3.37Å; Q885-G889 VanDerWaalsContact O-CA 3.28Å; Q885-G889 WeakPolarHBondContact O-CA 3.43Å; Q885-G889 PolarHBondContact O-N 2.86Å; Q885-L901 HydrophobicContact CB-CD1 4.33Å; Q885-L901 HydrophobicContact CG-CD1 4.27Å |
| 886 | S | 83.8 | Confident | 75.9 | Confident | 42 Ų | 42 | 68.3 Ų | 68.3 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 176 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | L882 E883 I884 R890 | L882-S886 WeakPolarHBondContact O-CB 3.43Å; L882-S886 PolarHBondContact O-N 3.19Å; L882-S886 PolarHBondContact O-OG 3.05Å; E883-S886 WeakPolarHBondContact O-CB 3.07Å; E883-S886 PolarHBondContact O-N 3.22Å; I884-S886 VanDerWaalsContact C-N 3.26Å; I884-S886 PolarHBondContact O-N 3.35Å; S886-R890 VanDerWaalsContact O-CG 3.29Å; S886-R890 WeakPolarHBondContact O-CG 3.49Å; S886-R890 PolarHBondContact O-N 2.8Å |
| 887 | I | 82.8 | Confident | 74 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 32% | 0.323 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.3 | -51.4 | 180 | -67.7 | 161.5 | 0 | 0 | 0 | 111.1 | K879 E883 I884 | K879-I887 HydrophobicContact CD-CD1 3.8Å; E883-I887 WeakPolarHBondContact O-CD1 3.48Å; E883-I887 VanDerWaalsContact O-CG1 3.24Å; E883-I887 WeakPolarHBondContact O-CG1 3.4Å; E883-I887 PolarHBondContact O-N 2.9Å; I884-I887 PolarHBondContact O-N 3.47Å |
| 888 | E | 79.7 | Confident | 72.6 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 3% | 0.028 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -78.5 | -27.5 | -176.1 | -68.2 | -61.7 | 129.5 | 0 | 0 | 112.1 | I884 K891 L901 R904 N908 | I884-E888 HydrophobicContact CG2-CG 4.5Å; I884-E888 PolarHBondContact O-N 3.37Å; E888-K891 PolarHBondContact O-N 3.15Å; E888-K891 IonicContact OE1-NZ 3.81Å; E888-K891 PolarHBondContact OE1-NZ 3.49Å; E888-K891 IonicContact OE2-NZ 3.97Å; E888-L901 HydrophobicContact CB-CB 4.28Å; E888-L901 HydrophobicContact CB-CD2 3.84Å; E888-R904 VanDerWaalsContact OE2-CD 3.25Å; E888-R904 WeakPolarHBondContact OE2-CD 3.36Å; E888-R904 IonicContact OE2-CZ 2.97Å; E888-R904 IonicContact OE2-NE 2.57Å; E888-R904 PolarHBondContact OE2-NE 3.43Å; E888-N908 PolarHBondContact OE2-ND2 3.06Å |
| 889 | G | 72.7 | Confident | 71.1 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 6% | 0.062 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q885 K891 G892 | Q885-G889 VanDerWaalsContact O-CA 3.28Å; Q885-G889 WeakPolarHBondContact O-CA 3.43Å; Q885-G889 PolarHBondContact O-N 2.86Å; G889-K891 PolarHBondContact O-N 2.97Å; G889-G892 PolarHBondContact O-N 3.14Å |
| 890 | R | 65.2 | Low | 70.3 | Confident | 221 Ų | 221 | 60.7 Ų | 60.7 | 83% | 0.834 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.8 | 176.2 | -74.9 | 178.2 | -158.4 | -175.2 | 6.3 | 113.8 | S886 G892 | S886-R890 VanDerWaalsContact O-CG 3.29Å; S886-R890 WeakPolarHBondContact O-CG 3.49Å; S886-R890 PolarHBondContact O-N 2.8Å; R890-G892 VanDerWaalsContact C-N 3.26Å; R890-G892 PolarHBondContact O-N 3.23Å |
| 891 | K | 57 | Low | 69.8 | Low | 122 Ų | 122 | 60.2 Ų | 60.2 | 53% | 0.53 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -1 | 178.6 | -64.9 | 178.3 | -177.7 | 165 | 0 | 113.7 | E888 G889 | E888-K891 PolarHBondContact O-N 3.15Å; E888-K891 IonicContact OE1-NZ 3.81Å; E888-K891 PolarHBondContact OE1-NZ 3.49Å; E888-K891 IonicContact OE2-NZ 3.97Å; G889-K891 PolarHBondContact O-N 2.97Å |
| 892 | G | 49.5 | Very low | 69.6 | Low | 24 Ų | 24 | 60.2 Ų | 60.2 | 25% | 0.247 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -151.6 | 124.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G889 R890 F894 N895 | G889-G892 PolarHBondContact O-N 3.14Å; R890-G892 VanDerWaalsContact C-N 3.26Å; R890-G892 PolarHBondContact O-N 3.23Å; G892-F894 PolarHBondContact O-N 3.22Å; G892-N895 PolarHBondContact O-N 3.1Å |
| 893 | A | 42.9 | Very low | 69.6 | Low | 98 Ų | 98 | 60.8 Ų | 60.8 | 81% | 0.81 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 3.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 894 | F | 45.9 | Very low | 69.4 | Low | 197 Ų | 197 | 61.7 Ų | 61.7 | 86% | 0.864 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.4 | 15.2 | -175.7 | -77.4 | -80.6 | 0 | 0 | 0 | 115.8 | G892 | G892-F894 PolarHBondContact O-N 3.22Š|
| 895 | N | 52.4 | Low | 69.4 | Low | 69 Ų | 69 | 62.8 Ų | 62.8 | 37% | 0.369 | 33% | 0.331 | S | S | . | . | trans | -109.2 | 12 | -162.3 | -78.5 | -14.4 | 0 | 0 | 0 | 117.9 | G892 G897 S898 | G892-N895 PolarHBondContact O-N 3.1Å; N895-G897 VanDerWaalsContact C-N 3.35Å; N895-G897 PolarHBondContact O-N 3.22Å; N895-S898 PolarHBondContact O-N 3.46Å; N895-S898 PolarHBondContact OD1-OG 3.26Å; N895-S898 VanDerWaalsContact OD1-OG 3.11Å | ||
| 896 | I | 48.8 | Very low | 69.7 | Low | 116 Ų | 116 | 61 Ų | 61 | 60% | 0.595 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 94.7 | 173.3 | -57.3 | 173.2 | 0 | 0 | 0 | 108.2 | M1090 | I896-M1090 HydrophobicContact CG2-CE 4.4Š|
| 897 | G | 51.7 | Low | 69.9 | Low | 41 Ų | 41 | 66.6 Ų | 66.6 | 42% | 0.423 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 126.3 | -6.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N895 S899 K1079 | N895-G897 VanDerWaalsContact C-N 3.35Å; N895-G897 PolarHBondContact O-N 3.22Å; G897-S899 PolarHBondContact O-N 3.01Å; G897-K1079 VanDerWaalsContact O-CE 3.26Å; G897-K1079 WeakPolarHBondContact O-CE 3.39Å; G897-K1079 PolarHBondContact O-NZ 3.46Å |
| 898 | S | 61.1 | Low | 70.3 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 30% | 0.301 | 35% | 0.345 | S | S | . | . | trans | -70 | 125.2 | 174.9 | -81.6 | 0 | 0 | 0 | 0 | 111.5 | N895 G900 L901 | N895-S898 PolarHBondContact O-N 3.46Å; N895-S898 PolarHBondContact OD1-OG 3.26Å; N895-S898 VanDerWaalsContact OD1-OG 3.11Å; S898-G900 PolarHBondContact O-N 2.81Å; S898-L901 WeakPolarHBondContact O-CG 3.03Å; S898-L901 PolarHBondContact O-N 3.2Å | ||
| 899 | S | 63.7 | Low | 70.7 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 24% | 0.238 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -0.9 | -177.2 | 54 | 0 | 0 | 0 | 0 | 115.4 | G897 D984 R987 | G897-S899 PolarHBondContact O-N 3.01Å; S899-D984 WeakPolarHBondContact CA-OD1 3.24Å; S899-R987 VanDerWaalsContact O-CD 3.28Å; S899-R987 WeakPolarHBondContact O-CD 3.39Å; S899-R987 PolarHBondContact OG-NH1 3.49Å |
| 900 | G | 76.4 | Confident | 71.6 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 14% | 0.144 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -1.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S898 Y903 R904 | S898-G900 PolarHBondContact O-N 2.81Å; G900-Y903 PolarHBondContact O-N 2.9Å; G900-R904 WeakPolarHBondContact O-CB 3.4Å; G900-R904 PolarHBondContact O-N 3Å |
| 901 | L | 84.8 | Confident | 72.7 | Confident | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.9 | -45 | -172.9 | -64.6 | 177.3 | 0 | 0 | 0 | 112.1 | Q885 E888 S898 R904 Y905 | Q885-L901 HydrophobicContact CB-CD1 4.33Å; Q885-L901 HydrophobicContact CG-CD1 4.27Å; E888-L901 HydrophobicContact CB-CB 4.28Å; E888-L901 HydrophobicContact CB-CD2 3.84Å; S898-L901 WeakPolarHBondContact O-CG 3.03Å; S898-L901 PolarHBondContact O-N 3.2Å; L901-R904 PolarHBondContact O-N 2.72Å; L901-Y905 PolarHBondContact O-N 2.75Å |
| 902 | L | 88.1 | Confident | 74 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 178.5 | -57.8 | -173.4 | 0 | 0 | 0 | 111.8 | I881 I884 R904 Y905 I906 I948 D984 F985 I988 | I881-L902 HydrophobicContact CD1-CD1 4.14Å; I881-L902 HydrophobicContact CG1-CD1 4.18Å; I881-L902 HydrophobicContact CG1-CD2 4.4Å; I881-L902 HydrophobicContact CG2-CD1 4.2Å; I881-L902 HydrophobicContact CG2-CD2 4.14Å; I884-L902 HydrophobicContact CB-CD2 3.95Å; I884-L902 HydrophobicContact CD1-CD2 4.31Å; I884-L902 HydrophobicContact CG2-CD2 3.58Å; L902-R904 VanDerWaalsContact C-N 3.33Å; L902-R904 PolarHBondContact O-N 3.11Å; L902-Y905 WeakPolarHBondContact O-CB 3.42Å; L902-Y905 PolarHBondContact O-N 3.11Å; L902-I906 PolarHBondContact O-N 2.89Å; L902-I906 VanDerWaalsContact O-N 3.12Å; L902-I948 HydrophobicContact CB-CD1 4.43Å; L902-I948 HydrophobicContact CD1-CD1 4.13Å; L902-I948 HydrophobicContact CD2-CD1 4.22Å; L902-D984 HydrophobicContact CD1-CB 3.85Å; L902-D984 HydrophobicContact CG-CB 4.32Å; L902-F985 HydrophobicContact CD1-CD1 4.05Å; L902-F985 HydrophobicContact CD1-CE1 3.82Å; L902-I988 HydrophobicContact CB-CD1 3.67Å |
| 903 | Y | 87.9 | Confident | 75.7 | Confident | 41 Ų | 41 | 77.7 Ų | 77.7 | 16% | 0.161 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 174.5 | -178.1 | -106.5 | 0 | 0 | 0 | 112.3 | G900 R907 Y915 I919 I988 R991 | G900-Y903 PolarHBondContact O-N 2.9Å; Y903-R907 PolarHBondContact O-N 3.19Å; Y903-R907 VanDerWaalsContact O-N 3.14Å; Y903-Y915 WeakPolarHBondContact CE2-OH 3.33Å; Y903-Y915 PolarHBondContact OH-OH 3.05Å; Y903-I919 HydrophobicContact CD2-CD1 4.28Å; Y903-I919 HydrophobicContact CE2-CD1 4.11Å; Y903-I988 HydrophobicContact CD2-CB 4.47Å; Y903-I988 HydrophobicContact CD2-CG1 4.18Å; Y903-R991 PolarHBondContact OH-O 3.23Å; Y903-R991 VanDerWaalsContact OH-O 3.14Å |
| 904 | R | 87.4 | Confident | 77.7 | Confident | 113 Ų | 113 | 77.3 Ų | 77.3 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 175.9 | -175.2 | 177.4 | -175 | -176.9 | 0.2 | 112.1 | E888 G900 L901 L902 R907 N908 | E888-R904 VanDerWaalsContact OE2-CD 3.25Å; E888-R904 WeakPolarHBondContact OE2-CD 3.36Å; E888-R904 IonicContact OE2-CZ 2.97Å; E888-R904 IonicContact OE2-NE 2.57Å; E888-R904 PolarHBondContact OE2-NE 3.43Å; G900-R904 WeakPolarHBondContact O-CB 3.4Å; G900-R904 PolarHBondContact O-N 3Å; L901-R904 PolarHBondContact O-N 2.72Å; L902-R904 VanDerWaalsContact C-N 3.33Å; L902-R904 PolarHBondContact O-N 3.11Å; R904-R907 PolarHBondContact O-N 3.38Å; R904-N908 WeakPolarHBondContact O-CB 3.35Å; R904-N908 PolarHBondContact O-N 2.94Å; R904-N908 PolarHBondContact O-ND2 3.03Å; R904-N908 PolarHBondContact O-OD1 3.38Å |
| 905 | Y | 90.1 | Very high | 79.8 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 9% | 0.09 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.5 | -50 | 176.8 | 172.3 | -103.8 | 0 | 0 | 0 | 112 | K879 I884 L901 L902 R907 N908 A909 I948 | K879-Y905 HydrophobicContact CD-CE2 4.39Å; I884-Y905 HydrophobicContact CB-CG 4.49Å; I884-Y905 HydrophobicContact CD1-CD1 3.67Å; I884-Y905 HydrophobicContact CD1-CE1 3.66Å; I884-Y905 HydrophobicContact CD1-CG 4.24Å; I884-Y905 HydrophobicContact CG1-CD1 4.05Å; I884-Y905 HydrophobicContact CG1-CD2 4.25Å; I884-Y905 HydrophobicContact CG1-CE1 4.08Å; I884-Y905 HydrophobicContact CG1-CE2 4.3Å; I884-Y905 HydrophobicContact CG1-CG 4.13Å; I884-Y905 VanDerWaalsContact CG2-CB 3.44Å; I884-Y905 HydrophobicContact CG2-CD1 4.04Å; I884-Y905 HydrophobicContact CG2-CD2 3.99Å; I884-Y905 HydrophobicContact CG2-CG 3.55Å; L901-Y905 PolarHBondContact O-N 2.75Å; L902-Y905 WeakPolarHBondContact O-CB 3.42Å; L902-Y905 PolarHBondContact O-N 3.11Å; Y905-R907 VanDerWaalsContact C-N 3.31Å; Y905-R907 PolarHBondContact O-N 3.36Å; Y905-N908 PolarHBondContact O-N 3.19Å; Y905-A909 WeakPolarHBondContact O-CB 3.32Å; Y905-A909 PolarHBondContact O-N 3.22Å; Y905-I948 HydrophobicContact CE1-CG2 4.24Å |
| 906 | I | 90.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 177.8 | -63.4 | 172 | 0 | 0 | 0 | 110.5 | L902 N908 A909 N910 Y915 A918 I919 F922 I948 I988 | L902-I906 PolarHBondContact O-N 2.89Å; L902-I906 VanDerWaalsContact O-N 3.12Å; I906-N908 PolarHBondContact O-N 3.2Å; I906-A909 PolarHBondContact O-N 3.42Å; I906-N910 PolarHBondContact O-N 3.38Å; I906-N910 PolarHBondContact O-ND2 3.34Å; I906-Y915 HydrophobicContact CG2-CE2 4.47Å; I906-A918 HydrophobicContact CG2-CB 3.9Å; I906-I919 HydrophobicContact CG2-CD1 4.06Å; I906-F922 HydrophobicContact CD1-CB 4.27Å; I906-F922 HydrophobicContact CD1-CD2 3.69Å; I906-F922 HydrophobicContact CD1-CE2 4.32Å; I906-F922 HydrophobicContact CD1-CG 4.07Å; I906-I948 HydrophobicContact CG1-CG2 4.41Å; I906-I988 HydrophobicContact CD1-CD1 3.85Å; I906-I988 HydrophobicContact CD1-CG1 4.42Å; I906-I988 HydrophobicContact CD1-CG2 4.02Å |
| 907 | R | 89.5 | Confident | 83.7 | Confident | 159 Ų | 159 | 67.9 Ų | 67.9 | 60% | 0.6 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.2 | -39.9 | 177.1 | -172.2 | 176.6 | -179.9 | 176.7 | 2.6 | 113.2 | Y903 R904 Y905 A909 Y915 | Y903-R907 PolarHBondContact O-N 3.19Å; Y903-R907 VanDerWaalsContact O-N 3.14Å; R904-R907 PolarHBondContact O-N 3.38Å; Y905-R907 VanDerWaalsContact C-N 3.31Å; Y905-R907 PolarHBondContact O-N 3.36Å; R907-A909 VanDerWaalsContact C-N 3.35Å; R907-Y915 HydrophobicContact CB-CD2 4.17Å; R907-Y915 HydrophobicContact CB-CE2 3.72Å; R907-Y915 HydrophobicContact CG-CD2 4.26Å; R907-Y915 HydrophobicContact CG-CE2 4.02Å |
| 908 | N | 89.9 | Confident | 85.7 | Confident | 90 Ų | 90 | 66 Ų | 66 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -75.5 | -24.3 | -179.9 | -66.9 | -15.9 | 0 | 0 | 0 | 112.9 | E888 R904 Y905 I906 | E888-N908 PolarHBondContact OE2-ND2 3.06Å; R904-N908 WeakPolarHBondContact O-CB 3.35Å; R904-N908 PolarHBondContact O-N 2.94Å; R904-N908 PolarHBondContact O-ND2 3.03Å; R904-N908 PolarHBondContact O-OD1 3.38Å; Y905-N908 PolarHBondContact O-N 3.19Å; I906-N908 PolarHBondContact O-N 3.2Å |
| 909 | A | 89.8 | Confident | 87.3 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -85.6 | -15.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y905 I906 R907 | Y905-A909 WeakPolarHBondContact O-CB 3.32Å; Y905-A909 PolarHBondContact O-N 3.22Å; I906-A909 PolarHBondContact O-N 3.42Å; R907-A909 VanDerWaalsContact C-N 3.35Å |
| 910 | N | 90.3 | Very high | 88.7 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -122.9 | 145.8 | -173.4 | -64.5 | -88.6 | 0 | 0 | 0 | 110.8 | I906 E914 A918 S950 | I906-N910 PolarHBondContact O-N 3.38Å; I906-N910 PolarHBondContact O-ND2 3.34Å; N910-E914 HydrophobicContact CB-CB 4.2Å; N910-A918 HydrophobicContact CB-CB 4.38Å; N910-S950 PolarHBondContact ND2-O 3.34Å; N910-S950 PolarHBondContact OD1-O 3.06Å |
| 911 | K | 88.7 | Confident | 89.6 | Confident | 147 Ų | 147 | 70.3 Ų | 70.3 | 64% | 0.639 | 32% | 0.323 | S | S | * | . | trans | -68.1 | 162.7 | 170.5 | -63.2 | 174.4 | -171.7 | 162 | 0 | 110.3 | E913 E914 Y915 | K911-E913 VanDerWaalsContact C-N 3.26Å; K911-E913 PolarHBondContact O-N 2.65Å; K911-E914 HydrophobicContact CB-CG 4.47Å; K911-E914 PolarHBondContact N-OE2 3.1Å; K911-E914 CarbonylContact O-C 3.52Å; K911-E914 PolarHBondContact O-N 2.89Å; K911-Y915 WeakPolarHBondContact O-CB 3.22Å; K911-Y915 PolarHBondContact O-N 3.07Å | ||
| 912 | E | 84.3 | Confident | 90.2 | Very high | 186 Ų | 186 | 69.9 Ų | 69.9 | 87% | 0.869 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -55.7 | -39.1 | -178.5 | -169.1 | 167.7 | -168.7 | 0 | 0 | 112.9 | E914 | E912-E914 PolarHBondContact O-N 3.09Å |
| 913 | E | 84.6 | Confident | 90.6 | Very high | 185 Ų | 185 | 71 Ų | 71 | 86% | 0.864 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -69.8 | -28.6 | 176.7 | -61.8 | 175.6 | -173.8 | 0 | 0 | 113.5 | K911 | K911-E913 VanDerWaalsContact C-N 3.26Å; K911-E913 PolarHBondContact O-N 2.65Å |
| 914 | E | 86.1 | Confident | 91 | Very high | 89 Ų | 89 | 72 Ų | 72 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -92.7 | -20.7 | -177.2 | -66.6 | 163 | 179.3 | 0 | 0 | 112 | N910 K911 E912 E916 T917 A918 | N910-E914 HydrophobicContact CB-CB 4.2Å; K911-E914 HydrophobicContact CB-CG 4.47Å; K911-E914 PolarHBondContact N-OE2 3.1Å; K911-E914 CarbonylContact O-C 3.52Å; K911-E914 PolarHBondContact O-N 2.89Å; E912-E914 PolarHBondContact O-N 3.09Å; E914-E916 PolarHBondContact O-N 3.45Å; E914-T917 WeakPolarHBondContact O-CB 3.23Å; E914-T917 PolarHBondContact O-N 3.47Å; E914-T917 VanDerWaalsContact O-N 3.13Å; E914-A918 PolarHBondContact O-N 3.42Å |
| 915 | Y | 89.9 | Confident | 91.5 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.3 | -49.1 | -171.8 | 171 | -106.6 | 0 | 0 | 0 | 113.4 | Y903 I906 R907 K911 T917 A918 I919 | Y903-Y915 WeakPolarHBondContact CE2-OH 3.33Å; Y903-Y915 PolarHBondContact OH-OH 3.05Å; I906-Y915 HydrophobicContact CG2-CE2 4.47Å; R907-Y915 HydrophobicContact CB-CD2 4.17Å; R907-Y915 HydrophobicContact CB-CE2 3.72Å; R907-Y915 HydrophobicContact CG-CD2 4.26Å; R907-Y915 HydrophobicContact CG-CE2 4.02Å; K911-Y915 WeakPolarHBondContact O-CB 3.22Å; K911-Y915 PolarHBondContact O-N 3.07Å; Y915-T917 VanDerWaalsContact C-N 3.26Å; Y915-T917 PolarHBondContact O-N 2.86Å; Y915-A918 WeakPolarHBondContact O-CB 3.4Å; Y915-A918 PolarHBondContact O-N 3.39Å; Y915-A918 VanDerWaalsContact O-N 3.11Å; Y915-I919 HydrophobicContact CD2-CG1 4.27Å; Y915-I919 HydrophobicContact CE1-CG1 4.02Å; Y915-I919 HydrophobicContact CE2-CD1 3.85Å; Y915-I919 HydrophobicContact CE2-CG1 3.71Å; Y915-I919 WeakPolarHBondContact O-CG1 3.35Å; Y915-I919 PolarHBondContact O-N 3.29Å |
| 916 | E | 91.4 | Very high | 91.8 | Very high | 95 Ų | 95 | 65.7 Ų | 65.7 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.5 | -35.5 | 178.7 | -76.9 | -60.3 | 133.7 | 0 | 0 | 111.7 | E914 A918 I919 E920 R991 | E914-E916 PolarHBondContact O-N 3.45Å; E916-A918 VanDerWaalsContact C-N 3.33Å; E916-A918 PolarHBondContact O-N 2.99Å; E916-I919 PolarHBondContact O-N 3.25Å; E916-E920 WeakPolarHBondContact O-CB 3.38Å; E916-E920 PolarHBondContact O-N 3.29Å; E916-R991 IonicContact OE2-NE 2.68Å; E916-R991 PolarHBondContact OE2-NE 3.44Å |
| 917 | T | 91.4 | Very high | 92.1 | Very high | 60 Ų | 60 | 65.7 Ų | 65.7 | 37% | 0.368 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | E914 Y915 E920 R921 | E914-T917 WeakPolarHBondContact O-CB 3.23Å; E914-T917 PolarHBondContact O-N 3.47Å; E914-T917 VanDerWaalsContact O-N 3.13Å; Y915-T917 VanDerWaalsContact C-N 3.26Å; Y915-T917 PolarHBondContact O-N 2.86Å; T917-E920 PolarHBondContact O-N 3.35Å; T917-R921 WeakPolarHBondContact O-CB 3.42Å; T917-R921 WeakPolarHBondContact O-CG 2.95Å; T917-R921 PolarHBondContact O-N 3.04Å |
| 918 | A | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I906 N910 E914 Y915 E916 R921 F922 D951 | I906-A918 HydrophobicContact CG2-CB 3.9Å; N910-A918 HydrophobicContact CB-CB 4.38Å; E914-A918 PolarHBondContact O-N 3.42Å; Y915-A918 WeakPolarHBondContact O-CB 3.4Å; Y915-A918 PolarHBondContact O-N 3.39Å; Y915-A918 VanDerWaalsContact O-N 3.11Å; E916-A918 VanDerWaalsContact C-N 3.33Å; E916-A918 PolarHBondContact O-N 2.99Å; A918-R921 PolarHBondContact O-N 2.81Å; A918-F922 PolarHBondContact O-N 2.69Å; A918-D951 WeakPolarHBondContact CA-O 3.3Å |
| 919 | I | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 172.9 | -66.2 | -66.4 | 0 | 0 | 0 | 110.9 | Y903 I906 Y915 E916 F922 I923 I988 R991 | Y903-I919 HydrophobicContact CD2-CD1 4.28Å; Y903-I919 HydrophobicContact CE2-CD1 4.11Å; I906-I919 HydrophobicContact CG2-CD1 4.06Å; Y915-I919 HydrophobicContact CD2-CG1 4.27Å; Y915-I919 HydrophobicContact CE1-CG1 4.02Å; Y915-I919 HydrophobicContact CE2-CD1 3.85Å; Y915-I919 HydrophobicContact CE2-CG1 3.71Å; Y915-I919 WeakPolarHBondContact O-CG1 3.35Å; Y915-I919 PolarHBondContact O-N 3.29Å; E916-I919 PolarHBondContact O-N 3.25Å; I919-F922 WeakPolarHBondContact O-CB 3.29Å; I919-F922 PolarHBondContact O-N 3.31Å; I919-I923 HydrophobicContact CG2-CD1 3.86Å; I919-I923 HydrophobicContact CG2-CG1 4.48Å; I919-I923 VanDerWaalsContact O-CG1 3.31Å; I919-I923 WeakPolarHBondContact O-CG1 3.31Å; I919-I923 PolarHBondContact O-N 2.88Å; I919-I988 HydrophobicContact CD1-CG2 3.78Å; I919-R991 HydrophobicContact CG2-CG 4.32Å |
| 920 | E | 94.4 | Very high | 93 | Very high | 93 Ų | 93 | 52.1 Ų | 52.1 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.9 | -170.7 | -178.7 | 170.3 | 0 | 0 | 111.8 | E916 T917 F922 I923 K924 | E916-E920 WeakPolarHBondContact O-CB 3.38Å; E916-E920 PolarHBondContact O-N 3.29Å; T917-E920 PolarHBondContact O-N 3.35Å; E920-F922 VanDerWaalsContact C-N 3.32Å; E920-F922 PolarHBondContact O-N 3.45Å; E920-I923 PolarHBondContact O-N 3.26Å; E920-K924 HydrophobicContact CG-CD 4.15Å; E920-K924 WeakPolarHBondContact O-CB 3.38Å; E920-K924 WeakPolarHBondContact O-CG 3.48Å; E920-K924 PolarHBondContact O-N 3.12Å; E920-K924 WeakPolarHBondContact OE1-CE 3.4Å; E920-K924 IonicContact OE1-NZ 2.89Å; E920-K924 PolarHBondContact OE1-NZ 2.71Å |
| 921 | R | 94.8 | Very high | 93.4 | Very high | 89 Ų | 89 | 50.9 Ų | 50.9 | 34% | 0.336 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 173.7 | -77 | 172.7 | 179.7 | 155.6 | 3.3 | 111.8 | T917 A918 S925 D951 R953 | T917-R921 WeakPolarHBondContact O-CB 3.42Å; T917-R921 WeakPolarHBondContact O-CG 2.95Å; T917-R921 PolarHBondContact O-N 3.04Å; A918-R921 PolarHBondContact O-N 2.81Å; R921-S925 WeakPolarHBondContact O-CB 3.48Å; R921-S925 PolarHBondContact O-N 2.97Å; R921-S925 PolarHBondContact O-OG 3.25Å; R921-D951 WeakPolarHBondContact CD-O 3.36Å; R921-D951 IonicContact CZ-OD2 3.06Å; R921-D951 IonicContact NE-OD2 3.23Å; R921-D951 IonicContact NH1-OD2 3.93Å; R921-D951 PolarHBondContact NH1-OD2 3.44Å; R921-R953 HydrophobicContact CB-CG 4.06Å; R921-R953 HydrophobicContact CG-CG 4.46Å |
| 922 | F | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -49.2 | 175.1 | -174.7 | -86.8 | 0 | 0 | 0 | 111.4 | I906 A918 I919 E920 K924 S925 C926 I948 G952 I954 F985 I988 | I906-F922 HydrophobicContact CD1-CB 4.27Å; I906-F922 HydrophobicContact CD1-CD2 3.69Å; I906-F922 HydrophobicContact CD1-CE2 4.32Å; I906-F922 HydrophobicContact CD1-CG 4.07Å; A918-F922 PolarHBondContact O-N 2.69Å; I919-F922 WeakPolarHBondContact O-CB 3.29Å; I919-F922 PolarHBondContact O-N 3.31Å; E920-F922 VanDerWaalsContact C-N 3.32Å; E920-F922 PolarHBondContact O-N 3.45Å; F922-K924 PolarHBondContact O-N 3.49Å; F922-S925 PolarHBondContact O-OG 2.99Å; F922-C926 HydrophobicContact CD1-CB 4.43Å; F922-C926 HydrophobicContact CE1-CB 4.21Å; F922-C926 WeakPolarHBondContact O-CB 3.33Å; F922-C926 PolarHBondContact O-N 2.96Å; F922-I948 HydrophobicContact CE2-CD1 3.85Å; F922-I948 HydrophobicContact CE2-CG1 4.28Å; F922-G952 WeakPolarHBondContact CA-O 3.29Å; F922-G952 WeakPolarHBondContact CB-O 3.32Å; F922-G952 WeakPolarHBondContact CD2-O 3.46Å; F922-G952 PolarHBondContact N-O 3.39Å; F922-I954 HydrophobicContact CD2-CB 4.2Å; F922-I954 HydrophobicContact CD2-CG2 4.43Å; F922-I954 HydrophobicContact CE2-CB 3.95Å; F922-I954 HydrophobicContact CE2-CD1 4.02Å; F922-I954 HydrophobicContact CE2-CG2 4.34Å; F922-I954 HydrophobicContact CZ-CD1 4.11Å; F922-F985 HydrophobicContact CE1-CB 4.44Å; F922-F985 HydrophobicContact CZ-CB 4.39Å; F922-F985 AromaticContact CZ-CD1 3.81Å; F922-F985 HydrophobicContact CZ-CD1 3.81Å; F922-F985 HydrophobicContact CZ-CE1 4.37Å; F922-F985 HydrophobicContact CZ-CG 4.26Å; F922-I988 HydrophobicContact CB-CG2 4.15Å; F922-I988 HydrophobicContact CD1-CB 3.83Å; F922-I988 HydrophobicContact CD1-CD1 4.28Å; F922-I988 HydrophobicContact CD1-CG2 3.29Å; F922-I988 HydrophobicContact CD2-CD1 4.19Å; F922-I988 HydrophobicContact CD2-CG2 4.38Å; F922-I988 HydrophobicContact CE1-CB 3.7Å; F922-I988 HydrophobicContact CE1-CD1 3.77Å; F922-I988 HydrophobicContact CE1-CG1 4.34Å; F922-I988 HydrophobicContact CE1-CG2 3.73Å; F922-I988 HydrophobicContact CE2-CD1 3.67Å; F922-I988 HydrophobicContact CG-CD1 4.47Å; F922-I988 HydrophobicContact CG-CG2 3.67Å; F922-I988 HydrophobicContact CZ-CB 4.31Å; F922-I988 HydrophobicContact CZ-CD1 3.44Å; F922-I988 VanDerWaalsContact CZ-CD1 3.44Å; F922-I988 HydrophobicContact CZ-CG1 4.47Å; F922-I988 HydrophobicContact CZ-CG2 4.44Å |
| 923 | I | 96.5 | Very high | 94.2 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 11% | 0.113 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | -178.7 | -69.1 | 169.2 | 0 | 0 | 0 | 110.7 | I919 E920 A927 I989 F1005 L1008 | I919-I923 HydrophobicContact CG2-CD1 3.86Å; I919-I923 HydrophobicContact CG2-CG1 4.48Å; I919-I923 VanDerWaalsContact O-CG1 3.31Å; I919-I923 WeakPolarHBondContact O-CG1 3.31Å; I919-I923 PolarHBondContact O-N 2.88Å; E920-I923 PolarHBondContact O-N 3.26Å; I923-A927 WeakPolarHBondContact O-CB 3.31Å; I923-A927 PolarHBondContact O-N 2.96Å; I923-I989 HydrophobicContact CG1-CG1 4.26Å; I923-F1005 HydrophobicContact CG2-CD2 4.06Å; I923-L1008 HydrophobicContact CG2-CD2 4.31Å |
| 924 | K | 97.1 | Very high | 94.7 | Very high | 63 Ų | 63 | 26.6 Ų | 26.6 | 27% | 0.274 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.8 | -51.6 | 179 | -76.2 | 175.4 | 175 | 176.2 | 0 | 112.3 | D854 F855 E920 F922 C926 A927 G928 | D854-K924 WeakPolarHBondContact O-CD 3.32Å; F855-K924 WeakPolarHBondContact CD1-O 3.46Å; F855-K924 CarbonylContact O-C 3.58Å; E920-K924 HydrophobicContact CG-CD 4.15Å; E920-K924 WeakPolarHBondContact O-CB 3.38Å; E920-K924 WeakPolarHBondContact O-CG 3.48Å; E920-K924 PolarHBondContact O-N 3.12Å; E920-K924 WeakPolarHBondContact OE1-CE 3.4Å; E920-K924 IonicContact OE1-NZ 2.89Å; E920-K924 PolarHBondContact OE1-NZ 2.71Å; F922-K924 PolarHBondContact O-N 3.49Å; K924-C926 VanDerWaalsContact C-N 3.32Å; K924-C926 PolarHBondContact O-N 3Å; K924-A927 PolarHBondContact O-N 3.12Å; K924-G928 PolarHBondContact O-N 2.75Å |
| 925 | S | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.3 | -37.1 | 179.8 | 55.9 | 0 | 0 | 0 | 0 | 112 | F855 R921 F922 G928 Y929 R953 I954 | F855-S925 WeakPolarHBondContact O-CA 3.3Å; F855-S925 PolarHBondContact O-N 2.85Å; R921-S925 WeakPolarHBondContact O-CB 3.48Å; R921-S925 PolarHBondContact O-N 2.97Å; R921-S925 PolarHBondContact O-OG 3.25Å; F922-S925 PolarHBondContact O-OG 2.99Å; S925-G928 PolarHBondContact O-N 3.26Å; S925-Y929 WeakPolarHBondContact O-CD2 3.39Å; S925-Y929 PolarHBondContact O-N 3.41Å; S925-R953 WeakPolarHBondContact OG-CA 3.44Å; S925-I954 WeakPolarHBondContact CB-O 3.45Å; S925-I954 WeakPolarHBondContact OG-CG2 3.22Å; S925-I954 PolarHBondContact OG-N 3.18Å |
| 926 | C | 97 | Very high | 95.4 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.02 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 174.2 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | F922 K924 Y929 C930 I954 F1005 | F922-C926 HydrophobicContact CD1-CB 4.43Å; F922-C926 HydrophobicContact CE1-CB 4.21Å; F922-C926 WeakPolarHBondContact O-CB 3.33Å; F922-C926 PolarHBondContact O-N 2.96Å; K924-C926 VanDerWaalsContact C-N 3.32Å; K924-C926 PolarHBondContact O-N 3Å; C926-Y929 PolarHBondContact O-N 3.01Å; C926-C930 WeakPolarHBondContact O-CB 3.39Å; C926-C930 PolarHBondContact O-N 3.35Å; C926-C930 PolarHBondContact O-SG 3.46Å; C926-I954 VanDerWaalsContact CA-CG2 3.48Å; C926-I954 HydrophobicContact CB-CG2 3.76Å; C926-F1005 HydrophobicContact CB-CE2 4.24Å |
| 927 | A | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F855 I923 K924 Y929 C930 V931 F1005 L1008 | F855-A927 HydrophobicContact CD1-CB 4.19Å; F855-A927 HydrophobicContact CE1-CB 4.22Å; I923-A927 WeakPolarHBondContact O-CB 3.31Å; I923-A927 PolarHBondContact O-N 2.96Å; K924-A927 PolarHBondContact O-N 3.12Å; A927-Y929 PolarHBondContact O-N 3.42Å; A927-C930 PolarHBondContact O-N 3.3Å; A927-V931 WeakPolarHBondContact O-CG2 3.23Å; A927-V931 PolarHBondContact O-N 2.91Å; A927-V931 VanDerWaalsContact O-N 3.09Å; A927-F1005 HydrophobicContact CB-CD2 4.25Å; A927-F1005 HydrophobicContact CB-CE2 3.79Å; A927-L1008 HydrophobicContact CB-CD2 3.82Å; A927-L1008 HydrophobicContact CB-CG 4Å |
| 928 | G | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | W848 K924 S925 S932 | W848-G928 WeakPolarHBondContact CH2-O 3.46Å; K924-G928 PolarHBondContact O-N 2.75Å; S925-G928 PolarHBondContact O-N 3.26Å; G928-S932 VanDerWaalsContact O-CB 3.3Å; G928-S932 WeakPolarHBondContact O-CB 3.47Å; G928-S932 PolarHBondContact O-N 3.46Å; G928-S932 PolarHBondContact O-OG 3.46Å |
| 929 | Y | 96.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.008 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -70.9 | -34 | 177.1 | -83.4 | -78.5 | 0 | 0 | 0 | 113.1 | L841 L857 T858 S925 C926 A927 T933 I954 F955 H956 | L841-Y929 HydrophobicContact CD1-CE1 3.98Å; L841-Y929 HydrophobicContact CD2-CE1 4.44Å; L857-Y929 HydrophobicContact CD2-CD2 3.76Å; L857-Y929 HydrophobicContact CD2-CE2 3.68Å; L857-Y929 HydrophobicContact CD2-CG 4.4Å; T858-Y929 PolarHBondContact N-OH 3.5Å; T858-Y929 PolarHBondContact O-OH 3.34Å; S925-Y929 WeakPolarHBondContact O-CD2 3.39Å; S925-Y929 PolarHBondContact O-N 3.41Å; C926-Y929 PolarHBondContact O-N 3.01Å; A927-Y929 PolarHBondContact O-N 3.42Å; Y929-T933 WeakPolarHBondContact O-CB 3.43Å; Y929-T933 VanDerWaalsContact O-CG2 3.29Å; Y929-T933 WeakPolarHBondContact O-CG2 3.45Å; Y929-T933 PolarHBondContact O-N 2.86Å; Y929-T933 PolarHBondContact O-OG1 2.58Å; Y929-I954 VanDerWaalsContact CD2-O 3.3Å; Y929-I954 WeakPolarHBondContact CD2-O 3.38Å; Y929-I954 WeakPolarHBondContact CE2-O 3.5Å; Y929-F955 HydrophobicContact CE1-CB 4.49Å; Y929-F955 VanDerWaalsContact CE2-CA 3.47Å; Y929-F955 HydrophobicContact CE2-CB 3.65Å; Y929-F955 WeakPolarHBondContact OH-CB 3.38Å; Y929-H956 HydrophobicContact CD1-CB 4.08Å; Y929-H956 AromaticContact CD1-CG 3.89Å; Y929-H956 HydrophobicContact CE1-CB 4.12Å |
| 930 | C | 95 | Very high | 94.6 | Very high | 5 Ų | 5 | 15.8 Ų | 15.8 | 3% | 0.034 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.9 | -50.4 | 173.6 | -73.5 | 0 | 0 | 0 | 0 | 110.8 | C926 A927 T933 F934 F979 | C926-C930 WeakPolarHBondContact O-CB 3.39Å; C926-C930 PolarHBondContact O-N 3.35Å; C926-C930 PolarHBondContact O-SG 3.46Å; A927-C930 PolarHBondContact O-N 3.3Å; C930-T933 PolarHBondContact O-OG1 3.2Å; C930-F934 WeakPolarHBondContact O-CB 3.48Å; C930-F934 PolarHBondContact O-N 3.2Å; C930-F934 VanDerWaalsContact O-N 3.15Å; C930-F979 HydrophobicContact CB-CD2 3.82Å; C930-F979 HydrophobicContact CB-CE2 3.69Å; C930-F979 HydrophobicContact CB-CZ 4.49Å |
| 931 | V | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.1 | -45.1 | 179.6 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | W848 A927 T933 F934 V935 C1009 A1012 Y1013 L1016 F1064 | W848-V931 HydrophobicContact CZ2-CB 4.33Å; W848-V931 HydrophobicContact CZ2-CG1 3.99Å; A927-V931 WeakPolarHBondContact O-CG2 3.23Å; A927-V931 PolarHBondContact O-N 2.91Å; A927-V931 VanDerWaalsContact O-N 3.09Å; V931-T933 PolarHBondContact O-N 2.8Å; V931-F934 PolarHBondContact O-N 2.73Å; V931-V935 HydrophobicContact CG1-CG2 4.47Å; V931-V935 WeakPolarHBondContact O-CG2 3.22Å; V931-V935 PolarHBondContact O-N 3.05Å; V931-C1009 HydrophobicContact CG2-CB 4.21Å; V931-C1009 WeakPolarHBondContact CG2-O 3.47Å; V931-A1012 HydrophobicContact CG2-CB 4.07Å; V931-Y1013 HydrophobicContact CG1-CD2 4.48Å; V931-L1016 HydrophobicContact CG1-CD1 3.8Å; V931-L1016 HydrophobicContact CG1-CG 4.5Å; V931-F1064 HydrophobicContact CG2-CE2 4.21Å; V931-F1064 HydrophobicContact CG2-CZ 3.77Å |
| 932 | S | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.6 | -47.8 | -179.2 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | L841 W848 G928 F934 V935 L936 | L841-S932 VanDerWaalsContact CD2-CB 3.42Å; L841-S932 WeakPolarHBondContact CD2-OG 3.22Å; W848-S932 WeakPolarHBondContact CH2-OG 3.05Å; G928-S932 VanDerWaalsContact O-CB 3.3Å; G928-S932 WeakPolarHBondContact O-CB 3.47Å; G928-S932 PolarHBondContact O-N 3.46Å; G928-S932 PolarHBondContact O-OG 3.46Å; S932-F934 VanDerWaalsContact C-N 3.32Å; S932-F934 PolarHBondContact O-N 3.04Å; S932-V935 PolarHBondContact O-N 3.39Å; S932-L936 VanDerWaalsContact O-CB 3.27Å; S932-L936 WeakPolarHBondContact O-CB 3.31Å; S932-L936 VanDerWaalsContact O-CG 3.28Å; S932-L936 WeakPolarHBondContact O-CG 3.44Å; S932-L936 PolarHBondContact O-N 3.32Å |
| 933 | T | 94.7 | Very high | 93.5 | Very high | 6 Ų | 6 | 8.7 Ų | 8.7 | 4% | 0.037 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -68.5 | -32 | -178.4 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | Y929 C930 V931 G937 V938 H956 | Y929-T933 WeakPolarHBondContact O-CB 3.43Å; Y929-T933 VanDerWaalsContact O-CG2 3.29Å; Y929-T933 WeakPolarHBondContact O-CG2 3.45Å; Y929-T933 PolarHBondContact O-N 2.86Å; Y929-T933 PolarHBondContact O-OG1 2.58Å; C930-T933 PolarHBondContact O-OG1 3.2Å; V931-T933 PolarHBondContact O-N 2.8Å; T933-G937 WeakPolarHBondContact O-CA 3.42Å; T933-G937 PolarHBondContact O-N 3.14Å; T933-V938 HydrophobicContact CG2-CB 4.11Å; T933-V938 HydrophobicContact CG2-CG2 4.39Å; T933-V938 PolarHBondContact O-N 3.16Å; T933-H956 WeakPolarHBondContact CG2-ND1 3.09Å |
| 934 | F | 95.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 9.2 Ų | 9.2 | 1% | 0.009 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.2 | -53.1 | 170.9 | 170.4 | -112 | 0 | 0 | 0 | 112 | C930 V931 S932 L936 G937 P978 F979 Y1013 Y1046 T1050 Y1063 F1064 Q1067 | C930-F934 WeakPolarHBondContact O-CB 3.48Å; C930-F934 PolarHBondContact O-N 3.2Å; C930-F934 VanDerWaalsContact O-N 3.15Å; V931-F934 PolarHBondContact O-N 2.73Å; S932-F934 VanDerWaalsContact C-N 3.32Å; S932-F934 PolarHBondContact O-N 3.04Å; F934-L936 VanDerWaalsContact C-N 3.31Å; F934-L936 PolarHBondContact O-N 3.36Å; F934-G937 PolarHBondContact O-N 3.44Å; F934-P978 HydrophobicContact CD2-CB 4Å; F934-P978 HydrophobicContact CE2-CB 4.18Å; F934-F979 HydrophobicContact CB-CB 4.43Å; F934-F979 HydrophobicContact CB-CD1 3.83Å; F934-F979 HydrophobicContact CB-CE1 4.49Å; F934-F979 HydrophobicContact CB-CG 4.39Å; F934-F979 HydrophobicContact CD2-CD1 4.22Å; F934-F979 HydrophobicContact CG-CD1 4.27Å; F934-Y1013 HydrophobicContact CD1-CD2 4.42Å; F934-Y1013 HydrophobicContact CD1-CE2 4.31Å; F934-Y1013 HydrophobicContact CE1-CD2 4.32Å; F934-Y1013 AromaticContact CE1-CE2 3.83Å; F934-Y1013 HydrophobicContact CE1-CE2 3.83Å; F934-Y1046 PolarHBondContact O-OH 3.16Å; F934-T1050 WeakPolarHBondContact CE1-O 3.43Å; F934-T1050 HydrophobicContact CE2-CG2 4.08Å; F934-T1050 HydrophobicContact CZ-CG2 4.02Å; F934-Y1063 HydrophobicContact CE1-CE1 4.37Å; F934-Y1063 AromaticContact CZ-CE1 3.78Å; F934-Y1063 HydrophobicContact CZ-CE1 3.78Å; F934-F1064 AromaticContact CD1-CD2 3.8Å; F934-F1064 HydrophobicContact CD1-CD2 3.8Å; F934-F1064 AromaticContact CD1-CE2 3.87Å; F934-F1064 HydrophobicContact CD1-CE2 3.87Å; F934-F1064 AromaticContact CE1-CD2 3.77Å; F934-F1064 HydrophobicContact CE1-CD2 3.77Å; F934-F1064 HydrophobicContact CE1-CE2 4.32Å; F934-F1064 HydrophobicContact CG-CE2 4.46Å; F934-Q1067 HydrophobicContact CE2-CB 3.94Å; F934-Q1067 HydrophobicContact CE2-CG 3.78Å; F934-Q1067 HydrophobicContact CZ-CB 4.17Å; F934-Q1067 HydrophobicContact CZ-CG 3.8Å |
| 935 | V | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -60.3 | -43.4 | -178.8 | 167.3 | 0 | 0 | 0 | 0 | 111.1 | M844 V931 S932 Y1013 L1016 T1050 L1051 | M844-V935 HydrophobicContact CE-CB 4.25Å; M844-V935 HydrophobicContact CE-CG1 3.83Å; V931-V935 HydrophobicContact CG1-CG2 4.47Å; V931-V935 WeakPolarHBondContact O-CG2 3.22Å; V931-V935 PolarHBondContact O-N 3.05Å; S932-V935 PolarHBondContact O-N 3.39Å; V935-Y1013 HydrophobicContact CG2-CD2 4.4Å; V935-Y1013 HydrophobicContact CG2-CE2 4.46Å; V935-L1016 HydrophobicContact CG2-CD1 4.1Å; V935-T1050 PolarHBondContact O-OG1 2.68Å; V935-T1050 VanDerWaalsContact O-OG1 3.06Å; V935-L1051 HydrophobicContact CB-CD2 4.4Å; V935-L1051 HydrophobicContact CG1-CD1 4.09Å; V935-L1051 HydrophobicContact CG1-CD2 3.75Å; V935-L1051 HydrophobicContact CG1-CG 3.86Å; V935-L1051 HydrophobicContact CG2-CD2 3.7Å; V935-L1051 HydrophobicContact CG2-CG 4.41Å |
| 936 | L | 94.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 6.3 Ų | 6.3 | 2% | 0.016 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -80.2 | -14.9 | -179 | -66.8 | 173.8 | 0 | 0 | 0 | 114 | T837 V840 M844 S932 F934 V938 L963 F1027 M1047 | T837-L936 HydrophobicContact CG2-CD1 4.14Å; V840-L936 HydrophobicContact CB-CD2 4.49Å; V840-L936 HydrophobicContact CG1-CD1 4.35Å; V840-L936 HydrophobicContact CG1-CD2 3.86Å; M844-L936 HydrophobicContact CE-CD1 4.32Å; M844-L936 HydrophobicContact CE-CD2 4.23Å; M844-L936 HydrophobicContact CE-CG 4.02Å; S932-L936 VanDerWaalsContact O-CB 3.27Å; S932-L936 WeakPolarHBondContact O-CB 3.31Å; S932-L936 VanDerWaalsContact O-CG 3.28Å; S932-L936 WeakPolarHBondContact O-CG 3.44Å; S932-L936 PolarHBondContact O-N 3.32Å; F934-L936 VanDerWaalsContact C-N 3.31Å; F934-L936 PolarHBondContact O-N 3.36Å; L936-V938 HydrophobicContact CB-CG2 3.83Å; L936-L963 WeakPolarHBondContact O-CA 3.44Å; L936-L963 PolarHBondContact O-N 3.38Å; L936-F1027 HydrophobicContact CD2-CE2 4.25Å; L936-F1027 HydrophobicContact CD2-CZ 3.71Å; L936-M1047 HydrophobicContact CD2-CE 3.81Å |
| 937 | G | 93.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 41.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T933 F934 G939 F962 G964 Y966 Y1046 | T933-G937 WeakPolarHBondContact O-CA 3.42Å; T933-G937 PolarHBondContact O-N 3.14Å; F934-G937 PolarHBondContact O-N 3.44Å; G937-G939 PolarHBondContact O-N 2.88Å; G937-F962 CarbonylContact O-C 3.52Å; G937-F962 WeakPolarHBondContact O-CA 3.41Å; G937-G964 PolarHBondContact O-N 3.41Å; G937-Y966 WeakPolarHBondContact O-CE1 3.4Å; G937-Y1046 VanDerWaalsContact CA-CZ 3.43Å; G937-Y1046 VanDerWaalsContact CA-OH 3.27Å; G937-Y1046 WeakPolarHBondContact CA-OH 3.15Å |
| 938 | V | 91.7 | Very high | 92.8 | Very high | 9 Ų | 9 | 7.4 Ų | 7.4 | 6% | 0.055 | 4% | 0.041 | C | C | . | . | trans | -71.8 | 121.7 | -178.7 | 176.1 | 0 | 0 | 0 | 0 | 110 | T933 L936 F959 H961 F962 | T933-V938 HydrophobicContact CG2-CB 4.11Å; T933-V938 HydrophobicContact CG2-CG2 4.39Å; T933-V938 PolarHBondContact O-N 3.16Å; L936-V938 HydrophobicContact CB-CG2 3.83Å; V938-F959 HydrophobicContact CG1-CD1 3.78Å; V938-F959 HydrophobicContact CG1-CE1 4.33Å; V938-F959 HydrophobicContact CG2-CD1 4.14Å; V938-H961 WeakPolarHBondContact CA-O 3.35Å; V938-F962 HydrophobicContact CG2-CB 4.5Å | ||
| 939 | G | 84.4 | Confident | 92.7 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.01 | 4% | 0.041 | C | C | . | . | trans | -96.6 | 179.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G937 R941 H961 | G937-G939 PolarHBondContact O-N 2.88Å; G939-R941 PolarHBondContact O-N 2.98Å; G939-R941 PolarHBondContact O-NE 3.35Å; G939-R941 PolarHBondContact O-NH2 3.21Å; G939-H961 PolarHBondContact N-O 2.98Å | ||
| 940 | D | 83.4 | Confident | 92.4 | Very high | 34 Ų | 34 | 9.3 Ų | 9.3 | 18% | 0.182 | 5% | 0.054 | C | C | . | . | trans | 59.2 | 38.8 | 171.9 | -146.1 | 14.7 | 0 | 0 | 0 | 113.2 | H942 N945 K967 R974 E975 | D940-H942 PolarHBondContact O-CD2 3.1Å; D940-H942 VanDerWaalsContact O-CD2 3.23Å; D940-H942 IonicContact OD1-CD2 3.78Å; D940-N945 PolarHBondContact O-ND2 3.26Å; D940-K967 IonicContact OD2-NZ 3.81Å; D940-K967 PolarHBondContact OD2-NZ 3.35Å; D940-R974 IonicContact OD1-NH1 2.96Å; D940-E975 VanDerWaalsContact N-CD 3.33Å; D940-E975 PolarHBondContact N-OE1 2.94Å; D940-E975 PolarHBondContact N-OE2 3.16Å; D940-E975 VanDerWaalsContact N-OE2 3.16Å | ||
| 941 | R | 89.5 | Confident | 92.2 | Very high | 13 Ų | 13 | 10.5 Ų | 10.5 | 5% | 0.049 | 6% | 0.061 | C | C | . | . | trans | -83.7 | 116.3 | -177.5 | -67.6 | -53.4 | 86.4 | -175 | 7.1 | 111.9 | G939 N945 I946 H956 I957 D958 E975 V980 W1082 | G939-R941 PolarHBondContact O-N 2.98Å; G939-R941 PolarHBondContact O-NE 3.35Å; G939-R941 PolarHBondContact O-NH2 3.21Å; R941-N945 VanDerWaalsContact CZ-ND2 3.33Å; R941-N945 PolarHBondContact NH2-ND2 3.44Å; R941-I946 HydrophobicContact CB-CD1 4.45Å; R941-H956 WeakPolarHBondContact CD-ND1 3.36Å; R941-I957 PolarHBondContact NH1-O 3.35Å; R941-D958 PolarHBondContact NH2-O 3.4Å; R941-E975 PolarHBondContact N-OE1 3.07Å; R941-V980 HydrophobicContact CB-CB 4.28Å; R941-V980 HydrophobicContact CB-CG2 3.4Å; R941-V980 VanDerWaalsContact CB-CG2 3.4Å; R941-V980 HydrophobicContact CG-CG2 4.22Å; R941-W1082 PolarHBondContact O-NE1 2.94Å | ||
| 942 | H | 86.4 | Confident | 92 | Very high | 20 Ų | 20 | 10.5 Ų | 10.5 | 9% | 0.093 | 6% | 0.061 | C | C | . | . | trans | -148.7 | 167.6 | -171.8 | 57.9 | 48.4 | 0 | 0 | 0 | 112.8 | D940 S944 N945 I946 H1085 | D940-H942 PolarHBondContact O-CD2 3.1Å; D940-H942 VanDerWaalsContact O-CD2 3.23Å; D940-H942 IonicContact OD1-CD2 3.78Å; H942-S944 PolarHBondContact CE1-OG 3.38Å; H942-S944 PolarHBondContact ND1-OG 3.1Å; H942-S944 PolarHBondContact O-N 2.85Å; H942-N945 PolarHBondContact CE1-ND2 3.03Å; H942-N945 VanDerWaalsContact CE1-ND2 3.33Å; H942-N945 PolarHBondContact N-OD1 2.99Å; H942-N945 PolarHBondContact ND1-N 2.76Å; H942-N945 PolarHBondContact ND1-OD1 2.79Å; H942-N945 PolarHBondContact O-N 3.48Å; H942-N945 PolarHBondContact O-OD1 2.75Å; H942-I946 PolarHBondContact O-N 3.35Å; H942-H1085 HydrophobicContact CB-CB 4.48Å; H942-H1085 AromaticContact CD2-CD2 3.71Å; H942-H1085 AromaticContact CD2-CE1 3.64Å; H942-H1085 AromaticContact CD2-NE2 3.31Å; H942-H1085 PolarHBondContact CD2-NE2 3.25Å; H942-H1085 VanDerWaalsContact CD2-NE2 3.31Å; H942-H1085 AromaticContact CE1-CE1 3.59Å; H942-H1085 AromaticContact CE1-NE2 3.79Å; H942-H1085 AromaticContact CG-CD2 3.89Å; H942-H1085 AromaticContact CG-CE1 3.39Å; H942-H1085 AromaticContact CG-ND1 3.73Å; H942-H1085 AromaticContact CG-NE2 3.56Å; H942-H1085 AromaticContact ND1-CE1 3.38Å; H942-H1085 PolarHBondContact ND1-CE1 3.45Å; H942-H1085 AromaticContact ND1-ND1 3.95Å; H942-H1085 AromaticContact ND1-NE2 3.86Å; H942-H1085 AromaticContact NE2-CE1 3.74Å; H942-H1085 AromaticContact NE2-NE2 3.45Å; H942-H1085 PolarHBondContact NE2-NE2 3.18Å | ||
| 943 | P | 87.9 | Confident | 91.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23 | -171.6 | -31.7 | 38.9 | 0 | 0 | 0 | 116.9 | I881 L882 W1082 | I881-P943 HydrophobicContact CB-CB 4.1Å; I881-P943 WeakPolarHBondContact CB-O 3.43Å; I881-P943 HydrophobicContact CG2-CB 3.81Å; I881-P943 HydrophobicContact CG2-CG 4.41Å; I881-P943 PolarHBondContact N-O 2.98Å; I881-P943 VanDerWaalsContact N-O 3.11Å; L882-P943 HydrophobicContact CB-CB 4.05Å; L882-P943 PolarHBondContact N-O 2.68Å; P943-W1082 HydrophobicContact CG-CB 3.68Å; P943-W1082 HydrophobicContact CG-CD2 3.58Å; P943-W1082 HydrophobicContact CG-CE3 3.68Å; P943-W1082 HydrophobicContact CG-CG 3.64Å; P943-W1082 HydrophobicContact CG-CZ3 4.37Å |
| 944 | S | 87.8 | Confident | 92 | Very high | 33 Ų | 33 | 13.8 Ų | 13.8 | 23% | 0.231 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -4.6 | 178.4 | 69.8 | 0 | 0 | 0 | 0 | 115.1 | H942 H1085 | H942-S944 PolarHBondContact CE1-OG 3.38Å; H942-S944 PolarHBondContact ND1-OG 3.1Å; H942-S944 PolarHBondContact O-N 2.85Å; S944-H1085 PolarHBondContact OG-CE1 2.95Å |
| 945 | N | 92.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.011 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -124.7 | 17.9 | 176.6 | 72.3 | 3 | 0 | 0 | 0 | 113.6 | D940 R941 H942 I957 D958 | D940-N945 PolarHBondContact O-ND2 3.26Å; R941-N945 VanDerWaalsContact CZ-ND2 3.33Å; R941-N945 PolarHBondContact NH2-ND2 3.44Å; H942-N945 PolarHBondContact CE1-ND2 3.03Å; H942-N945 VanDerWaalsContact CE1-ND2 3.33Å; H942-N945 PolarHBondContact N-OD1 2.99Å; H942-N945 PolarHBondContact ND1-N 2.76Å; H942-N945 PolarHBondContact ND1-OD1 2.79Å; H942-N945 PolarHBondContact O-N 3.48Å; H942-N945 PolarHBondContact O-OD1 2.75Å; N945-I957 HydrophobicContact CB-CG1 3.9Å; N945-I957 WeakPolarHBondContact O-CG1 3.46Å; N945-I957 PolarHBondContact O-N 3.16Å; N945-D958 HydrophobicContact CB-CB 4.31Å |
| 946 | I | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130 | 168.6 | -58.7 | 170.2 | 0 | 0 | 0 | 106.8 | T880 I881 R941 H942 I954 V980 F985 W1082 | T880-I946 CarbonylContact C-O 3.54Å; T880-I946 WeakPolarHBondContact CA-O 3.43Å; I881-I946 HydrophobicContact CD1-CB 3.74Å; I881-I946 HydrophobicContact CD1-CD1 4.46Å; I881-I946 HydrophobicContact CD1-CG2 3.48Å; I881-I946 VanDerWaalsContact CD1-CG2 3.48Å; I881-I946 HydrophobicContact CG1-CB 4.28Å; I881-I946 HydrophobicContact CG1-CG2 4.14Å; I881-I946 PolarHBondContact N-O 2.91Å; R941-I946 HydrophobicContact CB-CD1 4.45Å; H942-I946 PolarHBondContact O-N 3.35Å; I946-I954 HydrophobicContact CG2-CD1 3.69Å; I946-I954 HydrophobicContact CG2-CG1 3.77Å; I946-V980 HydrophobicContact CD1-CG1 4.28Å; I946-F985 HydrophobicContact CD1-CZ 4.44Å; I946-F985 HydrophobicContact CG2-CZ 4.26Å; I946-W1082 HydrophobicContact CD1-CH2 3.98Å; I946-W1082 HydrophobicContact CD1-CZ2 3.57Å |
| 947 | M | 96.8 | Very high | 92.1 | Very high | 26 Ų | 26 | 16 Ų | 16 | 13% | 0.128 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 151.6 | -173.3 | -61.9 | -172.4 | 79.9 | 0 | 0 | 111.1 | S878 K879 T880 I954 F955 I957 | S878-M947 WeakPolarHBondContact OG-CE 3.27Å; K879-M947 CarbonylContact O-C 3.59Å; K879-M947 VanDerWaalsContact O-CA 3.23Å; K879-M947 WeakPolarHBondContact O-CA 3.44Å; T880-M947 HydrophobicContact CG2-CE 4.22Å; T880-M947 HydrophobicContact CG2-CG 3.96Å; T880-M947 HydrophobicContact CG2-SD 4.44Å; M947-I954 WeakPolarHBondContact O-CA 3.34Å; M947-F955 HydrophobicContact CB-CD1 4.02Å; M947-F955 HydrophobicContact CB-CD2 4.33Å; M947-F955 HydrophobicContact CB-CE1 3.46Å; M947-F955 VanDerWaalsContact CB-CE1 3.46Å; M947-F955 HydrophobicContact CB-CE2 3.83Å; M947-F955 HydrophobicContact CB-CG 4.41Å; M947-F955 HydrophobicContact CB-CZ 3.36Å; M947-F955 HydrophobicContact CE-CZ 4.32Å; M947-F955 HydrophobicContact CG-CE2 4.23Å; M947-F955 HydrophobicContact CG-CZ 4.04Å; M947-F955 PolarHBondContact N-O 3.3Å; M947-F955 PolarHBondContact O-N 3.09Å; M947-F955 HydrophobicContact SD-CE2 3.77Å; M947-F955 HydrophobicContact SD-CZ 3.64Å; M947-I957 HydrophobicContact CG-CD1 4.3Å; M947-I957 HydrophobicContact CG-CG2 4.41Å; M947-I957 HydrophobicContact SD-CD1 3.86Å; M947-I957 HydrophobicContact SD-CG1 4.46Å; M947-I957 HydrophobicContact SD-CG2 3.85Å |
| 948 | I | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.2 | 174.6 | -59.5 | 173.5 | 0 | 0 | 0 | 107.9 | S878 K879 I881 I884 L902 Y905 I906 F922 R953 I954 | S878-I948 WeakPolarHBondContact CA-O 3.46Å; K879-I948 PolarHBondContact N-O 3.43Å; K879-I948 PolarHBondContact O-N 2.9Å; I881-I948 HydrophobicContact CG1-CD1 4.37Å; I884-I948 HydrophobicContact CD1-CB 3.89Å; I884-I948 HydrophobicContact CD1-CD1 4.14Å; I884-I948 HydrophobicContact CD1-CG1 4.33Å; L902-I948 HydrophobicContact CB-CD1 4.43Å; L902-I948 HydrophobicContact CD1-CD1 4.13Å; L902-I948 HydrophobicContact CD2-CD1 4.22Å; Y905-I948 HydrophobicContact CE1-CG2 4.24Å; I906-I948 HydrophobicContact CG1-CG2 4.41Å; F922-I948 HydrophobicContact CE2-CD1 3.85Å; F922-I948 HydrophobicContact CE2-CG1 4.28Å; I948-R953 WeakPolarHBondContact CA-O 3.45Å; I948-I954 HydrophobicContact CG1-CB 4.46Å; I948-I954 HydrophobicContact CG1-CG1 4.4Å |
| 949 | T | 94.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 151.8 | 170.7 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | V875 N877 D951 G952 R953 F955 | V875-T949 HydrophobicContact CG1-CG2 3.94Å; N877-T949 CarbonylContact O-C 3.58Å; N877-T949 WeakPolarHBondContact O-CA 3.47Å; T949-D951 WeakPolarHBondContact CB-OD1 3.19Å; T949-D951 PolarHBondContact O-N 2.89Å; T949-D951 VanDerWaalsContact O-N 3.16Å; T949-D951 PolarHBondContact OG1-OD1 2.83Å; T949-G952 PolarHBondContact O-N 3.24Å; T949-R953 PolarHBondContact N-O 2.81Å; T949-R953 WeakPolarHBondContact OG1-CA 3.45Å; T949-R953 VanDerWaalsContact OG1-CB 3.29Å; T949-R953 WeakPolarHBondContact OG1-CB 3.3Å; T949-R953 PolarHBondContact OG1-N 3.41Å; T949-R953 PolarHBondContact OG1-O 2.92Å; T949-F955 HydrophobicContact CG2-CD1 4.2Å; T949-F955 HydrophobicContact CG2-CE1 3.8Å |
| 950 | S | 90.8 | Very high | 91.8 | Very high | 40 Ų | 40 | 20 Ų | 20 | 28% | 0.28 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -31.9 | 176.3 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | N877 N910 G952 | N877-S950 WeakPolarHBondContact CB-OG 3.42Å; N877-S950 PolarHBondContact O-N 2.83Å; N910-S950 PolarHBondContact ND2-O 3.34Å; N910-S950 PolarHBondContact OD1-O 3.06Å; S950-G952 VanDerWaalsContact C-N 3.25Å; S950-G952 PolarHBondContact O-N 2.79Å |
| 951 | D | 90.2 | Very high | 91.9 | Very high | 31 Ų | 31 | 20.6 Ų | 20.6 | 17% | 0.166 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 8.2 | 177.9 | 78.5 | -58.1 | 0 | 0 | 0 | 114.2 | A918 R921 T949 R953 | A918-D951 WeakPolarHBondContact CA-O 3.3Å; R921-D951 WeakPolarHBondContact CD-O 3.36Å; R921-D951 IonicContact CZ-OD2 3.06Å; R921-D951 IonicContact NE-OD2 3.23Å; R921-D951 IonicContact NH1-OD2 3.93Å; R921-D951 PolarHBondContact NH1-OD2 3.44Å; T949-D951 WeakPolarHBondContact CB-OD1 3.19Å; T949-D951 PolarHBondContact O-N 2.89Å; T949-D951 VanDerWaalsContact O-N 3.16Å; T949-D951 PolarHBondContact OG1-OD1 2.83Å; D951-R953 IonicContact OD1-CZ 3.03Å; D951-R953 IonicContact OD1-NE 3.4Å; D951-R953 PolarHBondContact OD1-NE 3.27Å; D951-R953 VanDerWaalsContact OD1-NE 3.1Å; D951-R953 IonicContact OD1-NH2 3.6Å; D951-R953 PolarHBondContact OD1-NH2 3.28Å; D951-R953 IonicContact OD2-CZ 3.34Å; D951-R953 IonicContact OD2-NE 2.84Å; D951-R953 PolarHBondContact OD2-NE 3.04Å; D951-R953 IonicContact OD2-NH2 2.65Å; D951-R953 PolarHBondContact OD2-NH2 3.18Å |
| 952 | G | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 98.9 | -7.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | F922 T949 S950 I954 | F922-G952 WeakPolarHBondContact CA-O 3.29Å; F922-G952 WeakPolarHBondContact CB-O 3.32Å; F922-G952 WeakPolarHBondContact CD2-O 3.46Å; F922-G952 PolarHBondContact N-O 3.39Å; T949-G952 PolarHBondContact O-N 3.24Å; S950-G952 VanDerWaalsContact C-N 3.25Å; S950-G952 PolarHBondContact O-N 2.79Å; G952-I954 PolarHBondContact O-N 3.48Å |
| 953 | R | 95.4 | Very high | 92.2 | Very high | 73 Ų | 73 | 19.4 Ų | 19.4 | 28% | 0.275 | 11% | 0.106 | S | C | . | . | trans | -70.6 | 129.7 | 178.1 | -61.1 | 167.8 | -75.7 | 160.4 | 0.4 | 111 | C856 R921 S925 I948 T949 D951 | C856-R953 HydrophobicContact CB-CG 4.13Å; R921-R953 HydrophobicContact CB-CG 4.06Å; R921-R953 HydrophobicContact CG-CG 4.46Å; S925-R953 WeakPolarHBondContact OG-CA 3.44Å; I948-R953 WeakPolarHBondContact CA-O 3.45Å; T949-R953 PolarHBondContact N-O 2.81Å; T949-R953 WeakPolarHBondContact OG1-CA 3.45Å; T949-R953 VanDerWaalsContact OG1-CB 3.29Å; T949-R953 WeakPolarHBondContact OG1-CB 3.3Å; T949-R953 PolarHBondContact OG1-N 3.41Å; T949-R953 PolarHBondContact OG1-O 2.92Å; D951-R953 IonicContact OD1-CZ 3.03Å; D951-R953 IonicContact OD1-NE 3.4Å; D951-R953 PolarHBondContact OD1-NE 3.27Å; D951-R953 VanDerWaalsContact OD1-NE 3.1Å; D951-R953 IonicContact OD1-NH2 3.6Å; D951-R953 PolarHBondContact OD1-NH2 3.28Å; D951-R953 IonicContact OD2-CZ 3.34Å; D951-R953 IonicContact OD2-NE 2.84Å; D951-R953 PolarHBondContact OD2-NE 3.04Å; D951-R953 IonicContact OD2-NH2 2.65Å; D951-R953 PolarHBondContact OD2-NH2 3.18Å | ||
| 954 | I | 97.1 | Very high | 92 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 141.8 | 168.1 | -175.8 | 165.2 | 0 | 0 | 0 | 109.8 | F922 S925 C926 Y929 I946 M947 I948 G952 F985 | F922-I954 HydrophobicContact CD2-CB 4.2Å; F922-I954 HydrophobicContact CD2-CG2 4.43Å; F922-I954 HydrophobicContact CE2-CB 3.95Å; F922-I954 HydrophobicContact CE2-CD1 4.02Å; F922-I954 HydrophobicContact CE2-CG2 4.34Å; F922-I954 HydrophobicContact CZ-CD1 4.11Å; S925-I954 WeakPolarHBondContact CB-O 3.45Å; S925-I954 WeakPolarHBondContact OG-CG2 3.22Å; S925-I954 PolarHBondContact OG-N 3.18Å; C926-I954 VanDerWaalsContact CA-CG2 3.48Å; C926-I954 HydrophobicContact CB-CG2 3.76Å; Y929-I954 VanDerWaalsContact CD2-O 3.3Å; Y929-I954 WeakPolarHBondContact CD2-O 3.38Å; Y929-I954 WeakPolarHBondContact CE2-O 3.5Å; I946-I954 HydrophobicContact CG2-CD1 3.69Å; I946-I954 HydrophobicContact CG2-CG1 3.77Å; M947-I954 WeakPolarHBondContact O-CA 3.34Å; I948-I954 HydrophobicContact CG1-CB 4.46Å; I948-I954 HydrophobicContact CG1-CG1 4.4Å; G952-I954 PolarHBondContact O-N 3.48Å; I954-F985 HydrophobicContact CD1-CD1 4.43Å; I954-F985 HydrophobicContact CD1-CE1 3.75Å; I954-F985 HydrophobicContact CD1-CE2 4.04Å; I954-F985 HydrophobicContact CD1-CZ 3.51Å |
| 955 | F | 97.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 157.8 | 173.8 | 67.8 | -78.7 | 0 | 0 | 0 | 111.7 | Y860 V875 Y929 M947 T949 I957 | Y860-F955 HydrophobicContact CD1-CD2 4.33Å; Y860-F955 HydrophobicContact CD1-CE2 4.48Å; Y860-F955 HydrophobicContact CE1-CD2 4.42Å; V875-F955 HydrophobicContact CB-CE1 4.37Å; V875-F955 HydrophobicContact CB-CE2 4.18Å; V875-F955 HydrophobicContact CB-CZ 3.73Å; V875-F955 HydrophobicContact CG1-CE1 4.1Å; V875-F955 HydrophobicContact CG1-CZ 3.97Å; V875-F955 HydrophobicContact CG2-CE2 3.91Å; V875-F955 HydrophobicContact CG2-CZ 3.97Å; Y929-F955 HydrophobicContact CE1-CB 4.49Å; Y929-F955 VanDerWaalsContact CE2-CA 3.47Å; Y929-F955 HydrophobicContact CE2-CB 3.65Å; Y929-F955 WeakPolarHBondContact OH-CB 3.38Å; M947-F955 HydrophobicContact CB-CD1 4.02Å; M947-F955 HydrophobicContact CB-CD2 4.33Å; M947-F955 HydrophobicContact CB-CE1 3.46Å; M947-F955 VanDerWaalsContact CB-CE1 3.46Å; M947-F955 HydrophobicContact CB-CE2 3.83Å; M947-F955 HydrophobicContact CB-CG 4.41Å; M947-F955 HydrophobicContact CB-CZ 3.36Å; M947-F955 HydrophobicContact CE-CZ 4.32Å; M947-F955 HydrophobicContact CG-CE2 4.23Å; M947-F955 HydrophobicContact CG-CZ 4.04Å; M947-F955 PolarHBondContact N-O 3.3Å; M947-F955 PolarHBondContact O-N 3.09Å; M947-F955 HydrophobicContact SD-CE2 3.77Å; M947-F955 HydrophobicContact SD-CZ 3.64Å; T949-F955 HydrophobicContact CG2-CD1 4.2Å; T949-F955 HydrophobicContact CG2-CE1 3.8Å; F955-I957 HydrophobicContact CD2-CG2 4.04Å; F955-I957 HydrophobicContact CE2-CG2 3.74Å |
| 956 | H | 95.6 | Very high | 91.3 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 148.4 | -177.6 | -66.8 | -165.2 | 0 | 0 | 0 | 110 | Y929 T933 R941 F959 | Y929-H956 HydrophobicContact CD1-CB 4.08Å; Y929-H956 AromaticContact CD1-CG 3.89Å; Y929-H956 HydrophobicContact CE1-CB 4.12Å; T933-H956 WeakPolarHBondContact CG2-ND1 3.09Å; R941-H956 WeakPolarHBondContact CD-ND1 3.36Å; H956-F959 HydrophobicContact CB-CE1 3.94Å; H956-F959 HydrophobicContact CB-CZ 3.87Å; H956-F959 VanDerWaalsContact O-CZ 3.3Å; H956-F959 WeakPolarHBondContact O-CZ 3.25Å |
| 957 | I | 95.1 | Very high | 90.1 | Very high | 42 Ų | 42 | 28.4 Ų | 28.4 | 22% | 0.215 | 15% | 0.147 | C | C | . | . | trans | -126.1 | 169.9 | 174.6 | 62.4 | 168.7 | 0 | 0 | 0 | 110.8 | Y860 R941 N945 M947 F955 | Y860-I957 HydrophobicContact CE1-CB 4.46Å; Y860-I957 HydrophobicContact CE1-CG2 3.74Å; Y860-I957 WeakPolarHBondContact OH-CA 3.5Å; R941-I957 PolarHBondContact NH1-O 3.35Å; N945-I957 HydrophobicContact CB-CG1 3.9Å; N945-I957 WeakPolarHBondContact O-CG1 3.46Å; N945-I957 PolarHBondContact O-N 3.16Å; M947-I957 HydrophobicContact CG-CD1 4.3Å; M947-I957 HydrophobicContact CG-CG2 4.41Å; M947-I957 HydrophobicContact SD-CD1 3.86Å; M947-I957 HydrophobicContact SD-CG1 4.46Å; M947-I957 HydrophobicContact SD-CG2 3.85Å; F955-I957 HydrophobicContact CD2-CG2 4.04Å; F955-I957 HydrophobicContact CE2-CG2 3.74Å | ||
| 958 | D | 91 | Very high | 88.9 | Confident | 71 Ų | 71 | 35 Ų | 35 | 38% | 0.38 | 18% | 0.175 | S | C | . | . | trans | 59.4 | 76.6 | 174.1 | -169 | 13 | 0 | 0 | 0 | 113.1 | R941 N945 G960 | R941-D958 PolarHBondContact NH2-O 3.4Å; N945-D958 HydrophobicContact CB-CB 4.31Å; D958-G960 VanDerWaalsContact C-N 3.26Å; D958-G960 PolarHBondContact O-N 2.91Å | ||
| 959 | F | 89.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | trans | -90.8 | 37.5 | -174.3 | -62.7 | -78.3 | 0 | 0 | 0 | 113.3 | Q833 D834 T837 L838 L841 Y860 V938 H956 H961 | Q833-F959 PolarHBondContact NE2-O 3.21Å; D834-F959 PolarHBondContact OD1-N 2.84Å; T837-F959 HydrophobicContact CG2-CB 3.82Å; T837-F959 HydrophobicContact CG2-CD1 3.43Å; T837-F959 VanDerWaalsContact CG2-CD1 3.43Å; T837-F959 HydrophobicContact CG2-CD2 4Å; T837-F959 HydrophobicContact CG2-CE1 3.93Å; T837-F959 HydrophobicContact CG2-CE2 4.43Å; T837-F959 HydrophobicContact CG2-CG 3.47Å; T837-F959 VanDerWaalsContact CG2-CG 3.47Å; T837-F959 HydrophobicContact CG2-CZ 4.4Å; L838-F959 HydrophobicContact CD2-CE2 3.87Å; L838-F959 HydrophobicContact CG-CD2 4.37Å; L838-F959 HydrophobicContact CG-CE2 4.16Å; L841-F959 HydrophobicContact CD1-CE1 4.44Å; L841-F959 HydrophobicContact CD1-CE2 4.43Å; L841-F959 HydrophobicContact CD1-CZ 3.9Å; Y860-F959 HydrophobicContact CE1-CE2 4.46Å; V938-F959 HydrophobicContact CG1-CD1 3.78Å; V938-F959 HydrophobicContact CG1-CE1 4.33Å; V938-F959 HydrophobicContact CG2-CD1 4.14Å; H956-F959 HydrophobicContact CB-CE1 3.94Å; H956-F959 HydrophobicContact CB-CZ 3.87Å; H956-F959 VanDerWaalsContact O-CZ 3.3Å; H956-F959 WeakPolarHBondContact O-CZ 3.25Å; F959-H961 PolarHBondContact O-N 3.48Å | ||
| 960 | G | 81.7 | Confident | 85.8 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 22% | 0.216 | 25% | 0.246 | C | C | . | . | trans | -63.1 | -4.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q833 D958 | Q833-G960 PolarHBondContact NE2-O 3.2Å; D958-G960 VanDerWaalsContact C-N 3.26Å; D958-G960 PolarHBondContact O-N 2.91Å | ||
| 961 | H | 85.5 | Confident | 84.3 | Confident | 46 Ų | 46 | 50.9 Ų | 50.9 | 21% | 0.213 | 27% | 0.265 | C | S | . | . | trans | -144.8 | 127 | 173.9 | -61.8 | -68.4 | 0 | 0 | 0 | 112.6 | Q833 V938 G939 F959 K967 E1037 | Q833-H961 VanDerWaalsContact NE2-N 3.19Å; V938-H961 WeakPolarHBondContact CA-O 3.35Å; G939-H961 PolarHBondContact N-O 2.98Å; F959-H961 PolarHBondContact O-N 3.48Å; H961-K967 WeakPolarHBondContact NE2-CE 3.28Å; H961-K967 PolarHBondContact NE2-NZ 3.39Å; H961-E1037 WeakPolarHBondContact CA-OE1 2.99Å; H961-E1037 VanDerWaalsContact CA-OE2 3.23Å; H961-E1037 WeakPolarHBondContact CA-OE2 3.25Å; H961-E1037 IonicContact CE1-OE1 2.91Å; H961-E1037 IonicContact CG-OE1 3.97Å; H961-E1037 IonicContact ND1-OE1 2.99Å; H961-E1037 PolarHBondContact ND1-OE1 3.18Å | ||
| 962 | F | 90.9 | Very high | 82.8 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | trans | -144.3 | 178.8 | 178.7 | 71.3 | -64.6 | 0 | 0 | 0 | 112 | Q833 L836 G937 V938 G964 H965 F1027 I1035 E1037 L1038 | Q833-F962 HydrophobicContact CG-CD1 3.8Å; Q833-F962 HydrophobicContact CG-CE1 3.58Å; L836-F962 HydrophobicContact CD2-CE2 4.25Å; L836-F962 HydrophobicContact CD2-CZ 4.27Å; G937-F962 CarbonylContact O-C 3.52Å; G937-F962 WeakPolarHBondContact O-CA 3.41Å; V938-F962 HydrophobicContact CG2-CB 4.5Å; F962-G964 PolarHBondContact O-N 3.14Å; F962-G964 VanDerWaalsContact O-N 3.16Å; F962-H965 WeakPolarHBondContact O-CB 3.47Å; F962-H965 PolarHBondContact O-N 3.03Å; F962-H965 VanDerWaalsContact O-N 3.14Å; F962-H965 PolarHBondContact O-ND1 2.97Å; F962-F1027 AromaticContact CD2-CE1 3.84Å; F962-F1027 HydrophobicContact CD2-CE1 3.84Å; F962-F1027 HydrophobicContact CE2-CD1 4.31Å; F962-F1027 AromaticContact CE2-CE1 3.6Å; F962-F1027 HydrophobicContact CE2-CE1 3.6Å; F962-I1035 HydrophobicContact CE1-CD1 4.02Å; F962-I1035 HydrophobicContact CZ-CD1 3.49Å; F962-I1035 VanDerWaalsContact CZ-CD1 3.49Å; F962-I1035 HydrophobicContact CZ-CG1 4.4Å; F962-E1037 HydrophobicContact CD1-CB 4.28Å; F962-E1037 WeakPolarHBondContact CD1-OE2 3.41Å; F962-E1037 HydrophobicContact CE1-CB 3.75Å; F962-E1037 WeakPolarHBondContact CE1-OE2 3.36Å; F962-E1037 HydrophobicContact CZ-CB 4.15Å; F962-E1037 PolarHBondContact N-OE2 3.29Å; F962-L1038 HydrophobicContact CZ-CB 4.14Å | ||
| 963 | L | 91 | Very high | 81.4 | Confident | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 28.8 | -175.1 | -62.7 | 171.4 | 0 | 0 | 0 | 114.5 | L936 H965 F1027 L1038 D1043 Y1046 M1047 | L936-L963 WeakPolarHBondContact O-CA 3.44Å; L936-L963 PolarHBondContact O-N 3.38Å; L963-H965 VanDerWaalsContact C-N 3.3Å; L963-H965 PolarHBondContact O-N 2.86Å; L963-F1027 HydrophobicContact CD1-CD1 3.96Å; L963-F1027 HydrophobicContact CD1-CE1 4.08Å; L963-F1027 HydrophobicContact CD2-CD1 4.13Å; L963-F1027 HydrophobicContact CD2-CE1 3.92Å; L963-F1027 HydrophobicContact CG-CD1 4.44Å; L963-F1027 HydrophobicContact CG-CE1 4.16Å; L963-L1038 HydrophobicContact CD1-CB 4.35Å; L963-L1038 HydrophobicContact CD1-CD1 3.86Å; L963-D1043 HydrophobicContact CD1-CB 4.37Å; L963-Y1046 VanDerWaalsContact C-CG 3.48Å; L963-Y1046 WeakPolarHBondContact O-CB 3.28Å; L963-M1047 HydrophobicContact CD2-CB 4.19Å; L963-M1047 HydrophobicContact CD2-CE 4.17Å |
| 964 | G | 84.4 | Confident | 80 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 24% | 0.237 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 11.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G937 F962 Y966 | G937-G964 PolarHBondContact O-N 3.41Å; F962-G964 PolarHBondContact O-N 3.14Å; F962-G964 VanDerWaalsContact O-N 3.16Å; G964-Y966 WeakPolarHBondContact O-CD2 3.3Å; G964-Y966 PolarHBondContact O-N 2.8Å |
| 965 | H | 83.8 | Confident | 78.6 | Confident | 68 Ų | 68 | 60.4 Ų | 60.4 | 32% | 0.315 | 31% | 0.314 | S | S | . | . | trans | -73.8 | 58.8 | 171.9 | -69.5 | 92.7 | 0 | 0 | 0 | 112 | F962 L963 E1037 D1043 | F962-H965 WeakPolarHBondContact O-CB 3.47Å; F962-H965 PolarHBondContact O-N 3.03Å; F962-H965 VanDerWaalsContact O-N 3.14Å; F962-H965 PolarHBondContact O-ND1 2.97Å; L963-H965 VanDerWaalsContact C-N 3.3Å; L963-H965 PolarHBondContact O-N 2.86Å; H965-E1037 HydrophobicContact CB-CB 4.27Å; H965-E1037 HydrophobicContact CB-CG 3.76Å; H965-E1037 PolarHBondContact CE1-O 3.03Å; H965-E1037 PolarHBondContact ND1-O 3.13Å; H965-D1043 IonicContact CE1-OD1 2.81Å; H965-D1043 IonicContact NE2-OD1 3.19Å | ||
| 966 | Y | 80 | Confident | 77.1 | Confident | 48 Ų | 48 | 68.8 Ų | 68.8 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 139.6 | -177.9 | -54.2 | -51.7 | 0 | 0 | 0 | 112.1 | G937 G964 K968 S973 E975 Y1046 | G937-Y966 WeakPolarHBondContact O-CE1 3.4Å; G964-Y966 WeakPolarHBondContact O-CD2 3.3Å; G964-Y966 PolarHBondContact O-N 2.8Å; Y966-K968 PolarHBondContact O-N 3.4Å; Y966-S973 WeakPolarHBondContact CB-OG 3.42Å; Y966-E975 HydrophobicContact CD1-CB 4Å; Y966-E975 HydrophobicContact CD1-CG 4.27Å; Y966-E975 HydrophobicContact CD2-CB 4.28Å; Y966-E975 HydrophobicContact CE1-CB 4.25Å; Y966-E975 HydrophobicContact CE1-CG 4.28Å; Y966-E975 HydrophobicContact CE2-CB 4.49Å; Y966-E975 HydrophobicContact CG-CB 4.02Å; Y966-Y1046 PolarHBondContact OH-OH 3.21Å; Y966-Y1046 VanDerWaalsContact OH-OH 3.12Å |
| 967 | K | 71.4 | Confident | 76 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 124.6 | 171.6 | -73.7 | -179.6 | -171.1 | 155.1 | 0 | 109.9 | D940 H961 R974 | D940-K967 IonicContact OD2-NZ 3.81Å; D940-K967 PolarHBondContact OD2-NZ 3.35Å; H961-K967 WeakPolarHBondContact NE2-CE 3.28Å; H961-K967 PolarHBondContact NE2-NZ 3.39Å; K967-R974 HydrophobicContact CB-CG 4.5Å; K967-R974 WeakPolarHBondContact O-CB 3.41Å; K967-R974 WeakPolarHBondContact O-CG 3.4Å; K967-R974 PolarHBondContact O-N 3.09Å |
| 968 | K | 71.3 | Confident | 74.7 | Confident | 166 Ų | 166 | 68.3 Ų | 68.3 | 72% | 0.722 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 135.3 | 170.1 | -64.2 | -178.5 | -177.7 | 177.1 | 0 | 110.1 | Y966 I972 | Y966-K968 PolarHBondContact O-N 3.4Å; K968-I972 CarbonylContact C-O 3.56Å; K968-I972 WeakPolarHBondContact CA-O 3.31Å |
| 969 | K | 59.5 | Low | 74.2 | Confident | 136 Ų | 136 | 65.3 Ų | 65.3 | 59% | 0.591 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121 | 168.3 | -169.6 | -178.3 | 179.6 | -172.8 | 0 | 107.6 | G971 I972 R974 | K969-G971 PolarHBondContact O-N 2.81Å; K969-I972 PolarHBondContact N-O 2.79Å; K969-I972 PolarHBondContact O-N 2.75Å; K969-I972 VanDerWaalsContact O-N 3.16Å; K969-R974 HydrophobicContact CB-CG 4.44Å |
| 970 | L | 65.9 | Low | 73.8 | Confident | 171 Ų | 171 | 65.7 Ų | 65.7 | 90% | 0.895 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 35.6 | -176.4 | -57.4 | 171 | 0 | 0 | 0 | 113.7 | I972 | L970-I972 VanDerWaalsContact C-N 3.28Å; L970-I972 PolarHBondContact O-N 3.15Å |
| 971 | G | 61 | Low | 73.9 | Confident | 66 Ų | 66 | 64.7 Ų | 64.7 | 68% | 0.68 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -12.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K969 | K969-G971 PolarHBondContact O-N 2.81Š|
| 972 | I | 57.7 | Low | 73.9 | Confident | 120 Ų | 120 | 62.5 Ų | 62.5 | 62% | 0.615 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 134.9 | 179.3 | -57.8 | 170 | 0 | 0 | 0 | 109.4 | K968 K969 L970 | K968-I972 CarbonylContact C-O 3.56Å; K968-I972 WeakPolarHBondContact CA-O 3.31Å; K969-I972 PolarHBondContact N-O 2.79Å; K969-I972 PolarHBondContact O-N 2.75Å; K969-I972 VanDerWaalsContact O-N 3.16Å; L970-I972 VanDerWaalsContact C-N 3.28Å; L970-I972 PolarHBondContact O-N 3.15Å |
| 973 | S | 64.7 | Low | 73.5 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 133.2 | 172.4 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | Y966 E975 | Y966-S973 WeakPolarHBondContact CB-OG 3.42Å; S973-E975 VanDerWaalsContact C-N 3.35Å; S973-E975 PolarHBondContact OG-O 3.4Å |
| 974 | R | 64.9 | Low | 73.2 | Confident | 109 Ų | 109 | 64.2 Ų | 64.2 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -63.6 | -41.5 | 174.7 | -81.3 | -171.3 | 173.9 | -171.5 | -0.6 | 112.1 | D940 K967 K969 R976 | D940-R974 IonicContact OD1-NH1 2.96Å; K967-R974 HydrophobicContact CB-CG 4.5Å; K967-R974 WeakPolarHBondContact O-CB 3.41Å; K967-R974 WeakPolarHBondContact O-CG 3.4Å; K967-R974 PolarHBondContact O-N 3.09Å; K969-R974 HydrophobicContact CB-CG 4.44Å; R974-R976 PolarHBondContact O-N 3.43Å |
| 975 | E | 68.1 | Low | 73.6 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | trans | -75.1 | 118.2 | 175.5 | -109.6 | 64.7 | -160.4 | 0 | 0 | 110.1 | D940 R941 Y966 S973 | D940-E975 VanDerWaalsContact N-CD 3.33Å; D940-E975 PolarHBondContact N-OE1 2.94Å; D940-E975 PolarHBondContact N-OE2 3.16Å; D940-E975 VanDerWaalsContact N-OE2 3.16Å; R941-E975 PolarHBondContact N-OE1 3.07Å; Y966-E975 HydrophobicContact CD1-CB 4Å; Y966-E975 HydrophobicContact CD1-CG 4.27Å; Y966-E975 HydrophobicContact CD2-CB 4.28Å; Y966-E975 HydrophobicContact CE1-CB 4.25Å; Y966-E975 HydrophobicContact CE1-CG 4.28Å; Y966-E975 HydrophobicContact CE2-CB 4.49Å; Y966-E975 HydrophobicContact CG-CB 4.02Å; S973-E975 VanDerWaalsContact C-N 3.35Å; S973-E975 PolarHBondContact OG-O 3.4Å | ||
| 976 | R | 64.9 | Low | 73.8 | Confident | 177 Ų | 177 | 60 Ų | 60 | 67% | 0.668 | 29% | 0.293 | S | S | * | . | trans | -102.8 | -18 | 177.8 | -59.7 | -177.3 | -174 | -176.4 | 5.6 | 113.3 | R974 | R974-R976 PolarHBondContact O-N 3.43Š| ||
| 977 | V | 74.5 | Confident | 74.2 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -116.4 | 150.6 | -179.8 | -68.8 | 0 | 0 | 0 | 0 | 109.3 | F979 | V977-F979 VanDerWaalsContact CG2-O 3.27Å; V977-F979 WeakPolarHBondContact CG2-O 3.16Å; V977-F979 PolarHBondContact O-N 3.04Å |
| 978 | P | 65.9 | Low | 75.2 | Confident | 24 Ų | 24 | 57 Ų | 57 | 16% | 0.156 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -67.7 | -25.2 | -177.3 | 24 | -30.5 | 0 | 0 | 0 | 113.2 | F934 Q1067 K1070 A1071 | F934-P978 HydrophobicContact CD2-CB 4Å; F934-P978 HydrophobicContact CE2-CB 4.18Å; P978-Q1067 HydrophobicContact CB-CB 4.28Å; P978-Q1067 HydrophobicContact CG-CB 4.03Å; P978-Q1067 WeakPolarHBondContact CG-O 3.43Å; P978-K1070 HydrophobicContact CG-CB 4.43Å; P978-A1071 HydrophobicContact CG-CB 4.03Å |
| 979 | F | 81.4 | Confident | 76.1 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -162.6 | 171.1 | 169.7 | 58.9 | -86 | 0 | 0 | 0 | 109.4 | C930 F934 V977 L981 L1068 A1071 | C930-F979 HydrophobicContact CB-CD2 3.82Å; C930-F979 HydrophobicContact CB-CE2 3.69Å; C930-F979 HydrophobicContact CB-CZ 4.49Å; F934-F979 HydrophobicContact CB-CB 4.43Å; F934-F979 HydrophobicContact CB-CD1 3.83Å; F934-F979 HydrophobicContact CB-CE1 4.49Å; F934-F979 HydrophobicContact CB-CG 4.39Å; F934-F979 HydrophobicContact CD2-CD1 4.22Å; F934-F979 HydrophobicContact CG-CD1 4.27Å; V977-F979 VanDerWaalsContact CG2-O 3.27Å; V977-F979 WeakPolarHBondContact CG2-O 3.16Å; V977-F979 PolarHBondContact O-N 3.04Å; F979-L981 HydrophobicContact CE2-CB 4.25Å; F979-L1068 HydrophobicContact CE2-CD1 4.12Å; F979-L1068 HydrophobicContact CZ-CB 4.23Å; F979-L1068 HydrophobicContact CZ-CD1 3.53Å; F979-L1068 HydrophobicContact CZ-CG 4.46Å; F979-A1071 HydrophobicContact CD1-CB 4.12Å; F979-A1071 HydrophobicContact CD2-CB 4.18Å; F979-A1071 HydrophobicContact CE1-CB 3.83Å; F979-A1071 HydrophobicContact CE2-CB 3.89Å; F979-A1071 HydrophobicContact CG-CB 4.29Å; F979-A1071 HydrophobicContact CZ-CB 3.72Å |
| 980 | V | 81.5 | Confident | 77.6 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | trans | -88.2 | 118.9 | -175.5 | 168.5 | 0 | 0 | 0 | 0 | 111.6 | R941 I946 T982 F985 T1078 W1082 | R941-V980 HydrophobicContact CB-CB 4.28Å; R941-V980 HydrophobicContact CB-CG2 3.4Å; R941-V980 VanDerWaalsContact CB-CG2 3.4Å; R941-V980 HydrophobicContact CG-CG2 4.22Å; I946-V980 HydrophobicContact CD1-CG1 4.28Å; V980-T982 HydrophobicContact CG1-CG2 3.89Å; V980-F985 HydrophobicContact CG1-CE2 4.02Å; V980-T1078 HydrophobicContact CG1-CG2 4.16Å; V980-T1078 HydrophobicContact CG2-CG2 4.11Å; V980-W1082 HydrophobicContact CG1-CH2 4.1Å; V980-W1082 HydrophobicContact CG1-CZ2 3.37Å | ||
| 981 | L | 84.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -138.4 | 100.4 | 167.4 | -176.2 | 64 | 0 | 0 | 0 | 108.4 | F979 F985 L986 I989 F1002 F1005 L1068 A1075 | F979-L981 HydrophobicContact CE2-CB 4.25Å; L981-F985 HydrophobicContact CD1-CB 4.28Å; L981-L986 HydrophobicContact CD1-CD2 4.11Å; L981-L986 HydrophobicContact CD2-CD2 3.97Å; L981-L986 HydrophobicContact CG-CD2 3.92Å; L981-L986 HydrophobicContact CG-CG 4.43Å; L981-I989 HydrophobicContact CD1-CD1 4.18Å; L981-F1002 HydrophobicContact CD2-CE2 4.24Å; L981-F1005 HydrophobicContact CD1-CE1 4.12Å; L981-F1005 HydrophobicContact CD1-CZ 4.23Å; L981-F1005 HydrophobicContact CD2-CE1 4.27Å; L981-L1068 HydrophobicContact CD2-CD1 4.29Å; L981-A1075 WeakPolarHBondContact O-CB 3.48Å | ||
| 982 | T | 84.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -95.5 | 161.7 | -173.1 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | V980 D984 F985 L986 T1078 W1082 | V980-T982 HydrophobicContact CG1-CG2 3.89Å; T982-D984 PolarHBondContact O-N 2.84Å; T982-F985 WeakPolarHBondContact O-CB 3.25Å; T982-F985 PolarHBondContact O-N 2.87Å; T982-L986 WeakPolarHBondContact O-CG 3.33Å; T982-L986 PolarHBondContact O-N 3.45Å; T982-T1078 HydrophobicContact CG2-CG2 3.8Å; T982-W1082 HydrophobicContact CG2-CD2 3.9Å; T982-W1082 HydrophobicContact CG2-CE3 3.8Å; T982-W1082 HydrophobicContact CG2-CH2 3.58Å; T982-W1082 HydrophobicContact CG2-CZ2 3.67Å; T982-W1082 HydrophobicContact CG2-CZ3 3.63Å | ||
| 983 | E | 82.9 | Confident | 80.9 | Confident | 42 Ų | 42 | 34 Ų | 34 | 20% | 0.196 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.4 | -29.7 | 174.7 | -71.1 | -71.8 | 172.2 | 0 | 0 | 112.7 | R987 K997 A1075 | E983-R987 PolarHBondContact O-N 3Å; E983-R987 VanDerWaalsContact O-N 3.07Å; E983-K997 WeakPolarHBondContact OE1-CE 3.5Å; E983-K997 IonicContact OE1-NZ 3.46Å; E983-K997 PolarHBondContact OE1-NZ 3.48Å; E983-A1075 HydrophobicContact CG-CB 4.45Å |
| 984 | D | 85.3 | Confident | 81.3 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.011 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 173.8 | -67 | -99.9 | 0 | 0 | 0 | 112.1 | S899 L902 T982 I988 | S899-D984 WeakPolarHBondContact CA-OD1 3.24Å; L902-D984 HydrophobicContact CD1-CB 3.85Å; L902-D984 HydrophobicContact CG-CB 4.32Å; T982-D984 PolarHBondContact O-N 2.84Å; D984-I988 PolarHBondContact O-N 3.23Å |
| 985 | F | 91 | Very high | 82 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.9 | -43.3 | 176.2 | -59.9 | -15.4 | 0 | 0 | 0 | 111.4 | I881 L902 F922 I946 I954 V980 L981 T982 R987 I988 I989 W1082 | I881-F985 HydrophobicContact CD1-CE1 3.49Å; I881-F985 VanDerWaalsContact CD1-CE1 3.49Å; I881-F985 HydrophobicContact CD1-CZ 3.54Å; L902-F985 HydrophobicContact CD1-CD1 4.05Å; L902-F985 HydrophobicContact CD1-CE1 3.82Å; F922-F985 HydrophobicContact CE1-CB 4.44Å; F922-F985 HydrophobicContact CZ-CB 4.39Å; F922-F985 AromaticContact CZ-CD1 3.81Å; F922-F985 HydrophobicContact CZ-CD1 3.81Å; F922-F985 HydrophobicContact CZ-CE1 4.37Å; F922-F985 HydrophobicContact CZ-CG 4.26Å; I946-F985 HydrophobicContact CD1-CZ 4.44Å; I946-F985 HydrophobicContact CG2-CZ 4.26Å; I954-F985 HydrophobicContact CD1-CD1 4.43Å; I954-F985 HydrophobicContact CD1-CE1 3.75Å; I954-F985 HydrophobicContact CD1-CE2 4.04Å; I954-F985 HydrophobicContact CD1-CZ 3.51Å; V980-F985 HydrophobicContact CG1-CE2 4.02Å; L981-F985 HydrophobicContact CD1-CB 4.28Å; T982-F985 WeakPolarHBondContact O-CB 3.25Å; T982-F985 PolarHBondContact O-N 2.87Å; F985-R987 PolarHBondContact O-N 3.36Å; F985-I988 PolarHBondContact O-N 3.06Å; F985-I989 WeakPolarHBondContact O-CG1 3.43Å; F985-I989 PolarHBondContact O-N 3.31Å; F985-W1082 HydrophobicContact CE1-CH2 4.07Å; F985-W1082 HydrophobicContact CE1-CZ3 4.47Å; F985-W1082 HydrophobicContact CE2-CH2 4.03Å; F985-W1082 AromaticContact CZ-CH2 3.52Å; F985-W1082 HydrophobicContact CZ-CH2 3.52Å; F985-W1082 HydrophobicContact CZ-CZ2 4.41Å; F985-W1082 HydrophobicContact CZ-CZ3 4.34Å |
| 986 | L | 88.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.8 | -38.7 | 177.5 | -67 | -179.2 | 0 | 0 | 0 | 111.5 | L981 T982 I988 I989 S990 A996 F1002 Y1072 | L981-L986 HydrophobicContact CD1-CD2 4.11Å; L981-L986 HydrophobicContact CD2-CD2 3.97Å; L981-L986 HydrophobicContact CG-CD2 3.92Å; L981-L986 HydrophobicContact CG-CG 4.43Å; T982-L986 WeakPolarHBondContact O-CG 3.33Å; T982-L986 PolarHBondContact O-N 3.45Å; L986-I988 PolarHBondContact O-N 3.35Å; L986-I989 PolarHBondContact O-N 3.07Å; L986-S990 VanDerWaalsContact O-CB 3.31Å; L986-S990 WeakPolarHBondContact O-CB 3.29Å; L986-S990 PolarHBondContact O-N 3.26Å; L986-S990 PolarHBondContact O-OG 3.4Å; L986-S990 VanDerWaalsContact O-OG 3.1Å; L986-A996 HydrophobicContact CB-CB 3.99Å; L986-F1002 HydrophobicContact CD2-CD2 3.67Å; L986-F1002 HydrophobicContact CD2-CE2 3.26Å; L986-F1002 HydrophobicContact CD2-CZ 4.02Å; L986-Y1072 HydrophobicContact CD1-CD2 4.1Å; L986-Y1072 HydrophobicContact CD1-CE2 4.19Å |
| 987 | R | 88.1 | Confident | 82.6 | Confident | 71 Ų | 71 | 36 Ų | 36 | 27% | 0.268 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.8 | -33.4 | 176.8 | -169.9 | 169.8 | -175.1 | 170.4 | 3 | 113.4 | S899 E983 F985 S990 G992 | S899-R987 VanDerWaalsContact O-CD 3.28Å; S899-R987 WeakPolarHBondContact O-CD 3.39Å; S899-R987 PolarHBondContact OG-NH1 3.49Å; E983-R987 PolarHBondContact O-N 3Å; E983-R987 VanDerWaalsContact O-N 3.07Å; F985-R987 PolarHBondContact O-N 3.36Å; R987-S990 PolarHBondContact O-OG 2.93Å; R987-G992 WeakPolarHBondContact O-CA 3.49Å; R987-G992 PolarHBondContact O-N 3.26Å |
| 988 | I | 92.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.3 | -46.6 | 174.1 | -61.1 | 164.8 | 0 | 0 | 0 | 110 | L902 Y903 I906 I919 F922 D984 F985 L986 S990 R991 | L902-I988 HydrophobicContact CB-CD1 3.67Å; Y903-I988 HydrophobicContact CD2-CB 4.47Å; Y903-I988 HydrophobicContact CD2-CG1 4.18Å; I906-I988 HydrophobicContact CD1-CD1 3.85Å; I906-I988 HydrophobicContact CD1-CG1 4.42Å; I906-I988 HydrophobicContact CD1-CG2 4.02Å; I919-I988 HydrophobicContact CD1-CG2 3.78Å; F922-I988 HydrophobicContact CB-CG2 4.15Å; F922-I988 HydrophobicContact CD1-CB 3.83Å; F922-I988 HydrophobicContact CD1-CD1 4.28Å; F922-I988 HydrophobicContact CD1-CG2 3.29Å; F922-I988 HydrophobicContact CD2-CD1 4.19Å; F922-I988 HydrophobicContact CD2-CG2 4.38Å; F922-I988 HydrophobicContact CE1-CB 3.7Å; F922-I988 HydrophobicContact CE1-CD1 3.77Å; F922-I988 HydrophobicContact CE1-CG1 4.34Å; F922-I988 HydrophobicContact CE1-CG2 3.73Å; F922-I988 HydrophobicContact CE2-CD1 3.67Å; F922-I988 HydrophobicContact CG-CD1 4.47Å; F922-I988 HydrophobicContact CG-CG2 3.67Å; F922-I988 HydrophobicContact CZ-CB 4.31Å; F922-I988 HydrophobicContact CZ-CD1 3.44Å; F922-I988 VanDerWaalsContact CZ-CD1 3.44Å; F922-I988 HydrophobicContact CZ-CG1 4.47Å; F922-I988 HydrophobicContact CZ-CG2 4.44Å; D984-I988 PolarHBondContact O-N 3.23Å; F985-I988 PolarHBondContact O-N 3.06Å; L986-I988 PolarHBondContact O-N 3.35Å; I988-S990 PolarHBondContact O-N 3.13Å; I988-R991 PolarHBondContact O-N 2.65Å |
| 989 | I | 92.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.3 | -40.5 | 178.4 | -67.2 | 161.9 | 0 | 0 | 0 | 110.8 | I923 L981 F985 L986 R991 E1001 F1002 F1005 | I923-I989 HydrophobicContact CG1-CG1 4.26Å; L981-I989 HydrophobicContact CD1-CD1 4.18Å; F985-I989 WeakPolarHBondContact O-CG1 3.43Å; F985-I989 PolarHBondContact O-N 3.31Å; L986-I989 PolarHBondContact O-N 3.07Å; I989-R991 PolarHBondContact O-N 2.72Å; I989-E1001 WeakPolarHBondContact O-CB 3.41Å; I989-F1002 HydrophobicContact CG2-CD2 4.32Å; I989-F1005 HydrophobicContact CD1-CD1 4.05Å; I989-F1005 HydrophobicContact CD1-CD2 3.9Å; I989-F1005 HydrophobicContact CD1-CE1 3.94Å; I989-F1005 HydrophobicContact CD1-CE2 3.76Å; I989-F1005 HydrophobicContact CD1-CG 4.03Å; I989-F1005 HydrophobicContact CD1-CZ 3.79Å; I989-F1005 HydrophobicContact CG1-CD2 4.22Å; I989-F1005 HydrophobicContact CG1-CE2 4.39Å; I989-F1005 HydrophobicContact CG1-CG 4.48Å; I989-F1005 HydrophobicContact CG2-CB 3.62Å; I989-F1005 HydrophobicContact CG2-CD2 4.3Å; I989-F1005 HydrophobicContact CG2-CG 3.91Å |
| 990 | S | 90.4 | Very high | 84.2 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 12.8 | 179.2 | 74.1 | 0 | 0 | 0 | 0 | 114.9 | L986 R987 I988 G992 S993 A996 | L986-S990 VanDerWaalsContact O-CB 3.31Å; L986-S990 WeakPolarHBondContact O-CB 3.29Å; L986-S990 PolarHBondContact O-N 3.26Å; L986-S990 PolarHBondContact O-OG 3.4Å; L986-S990 VanDerWaalsContact O-OG 3.1Å; R987-S990 PolarHBondContact O-OG 2.93Å; I988-S990 PolarHBondContact O-N 3.13Å; S990-G992 VanDerWaalsContact C-N 3.26Å; S990-G992 PolarHBondContact O-N 3.21Å; S990-S993 VanDerWaalsContact O-CB 3.26Å; S990-S993 WeakPolarHBondContact O-CB 3.23Å; S990-S993 PolarHBondContact O-N 3.43Å; S990-S993 VanDerWaalsContact O-N 3.13Å; S990-S993 PolarHBondContact OG-N 3.32Å; S990-S993 PolarHBondContact OG-O 2.77Å; S990-A996 WeakPolarHBondContact OG-CB 3.48Å |
| 991 | R | 89.2 | Confident | 84.6 | Confident | 103 Ų | 103 | 54.8 Ų | 54.8 | 39% | 0.389 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 43.2 | -177.6 | -62.3 | -178.1 | 172.1 | 74.9 | 1.9 | 113 | Y903 E916 I919 I988 I989 S993 | Y903-R991 PolarHBondContact OH-O 3.23Å; Y903-R991 VanDerWaalsContact OH-O 3.14Å; E916-R991 IonicContact OE2-NE 2.68Å; E916-R991 PolarHBondContact OE2-NE 3.44Å; I919-R991 HydrophobicContact CG2-CG 4.32Å; I988-R991 PolarHBondContact O-N 2.65Å; I989-R991 PolarHBondContact O-N 2.72Å; R991-S993 VanDerWaalsContact C-N 3.33Å; R991-S993 PolarHBondContact O-N 3.34Å |
| 992 | G | 82.7 | Confident | 84.9 | Confident | 17 Ų | 17 | 55 Ų | 55 | 18% | 0.175 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 0 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R987 S990 E994 | R987-G992 WeakPolarHBondContact O-CA 3.49Å; R987-G992 PolarHBondContact O-N 3.26Å; S990-G992 VanDerWaalsContact C-N 3.26Å; S990-G992 PolarHBondContact O-N 3.21Å; G992-E994 PolarHBondContact O-N 3.32Å |
| 993 | S | 82.1 | Confident | 85.1 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 37% | 0.371 | 29% | 0.285 | S | S | . | . | trans | -60.4 | 132.5 | 179.7 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | S990 R991 N995 A996 | S990-S993 VanDerWaalsContact O-CB 3.26Å; S990-S993 WeakPolarHBondContact O-CB 3.23Å; S990-S993 PolarHBondContact O-N 3.43Å; S990-S993 VanDerWaalsContact O-N 3.13Å; S990-S993 PolarHBondContact OG-N 3.32Å; S990-S993 PolarHBondContact OG-O 2.77Å; R991-S993 VanDerWaalsContact C-N 3.33Å; R991-S993 PolarHBondContact O-N 3.34Å; S993-N995 VanDerWaalsContact C-N 3.25Å; S993-N995 PolarHBondContact O-N 2.99Å; S993-N995 PolarHBondContact OG-N 3.26Å; S993-A996 PolarHBondContact O-N 3.27Å | ||
| 994 | E | 72.2 | Confident | 85.7 | Confident | 177 Ų | 177 | 60.4 Ų | 60.4 | 83% | 0.827 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -30 | 177.2 | -64.1 | -171.7 | 162.2 | 0 | 0 | 112.3 | G992 | G992-E994 PolarHBondContact O-N 3.32Š|
| 995 | N | 79.2 | Confident | 86.1 | Confident | 124 Ų | 124 | 60.4 Ų | 60.4 | 66% | 0.663 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 54.5 | 176.9 | -74.1 | -35.1 | 0 | 0 | 0 | 111.1 | S993 K997 K998 | S993-N995 VanDerWaalsContact C-N 3.25Å; S993-N995 PolarHBondContact O-N 2.99Å; S993-N995 PolarHBondContact OG-N 3.26Å; N995-K997 PolarHBondContact O-N 3.29Å; N995-K998 PolarHBondContact O-N 2.92Å; N995-K998 VanDerWaalsContact O-N 3.16Å |
| 996 | A | 75.6 | Confident | 86.2 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -48.2 | -37.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L986 S990 S993 K998 S999 F1002 | L986-A996 HydrophobicContact CB-CB 3.99Å; S990-A996 WeakPolarHBondContact OG-CB 3.48Å; S993-A996 PolarHBondContact O-N 3.27Å; A996-K998 VanDerWaalsContact C-N 3.29Å; A996-K998 PolarHBondContact O-N 2.92Å; A996-S999 VanDerWaalsContact O-CB 3.32Å; A996-S999 WeakPolarHBondContact O-CB 3.37Å; A996-S999 PolarHBondContact O-N 3.09Å; A996-S999 VanDerWaalsContact O-N 3.14Å; A996-S999 PolarHBondContact O-OG 3.19Å; A996-F1002 VanDerWaalsContact O-CB 3.3Å; A996-F1002 WeakPolarHBondContact O-CB 3.48Å |
| 997 | K | 71.7 | Confident | 86.5 | Confident | 98 Ų | 98 | 69.6 Ų | 69.6 | 43% | 0.426 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -57.2 | -29.4 | -177.2 | -64.1 | -168 | 167.1 | 174.5 | 0 | 115.9 | E983 N995 Y1072 | E983-K997 WeakPolarHBondContact OE1-CE 3.5Å; E983-K997 IonicContact OE1-NZ 3.46Å; E983-K997 PolarHBondContact OE1-NZ 3.48Å; N995-K997 PolarHBondContact O-N 3.29Å; K997-Y1072 HydrophobicContact CB-CE2 4.38Å; K997-Y1072 WeakPolarHBondContact CB-OH 3.45Å; K997-Y1072 HydrophobicContact CD-CE2 4.17Å; K997-Y1072 WeakPolarHBondContact CD-OH 3.29Å; K997-Y1072 HydrophobicContact CG-CE2 3.81Å; K997-Y1072 WeakPolarHBondContact CG-OH 3.21Å |
| 998 | K | 77.3 | Confident | 86.9 | Confident | 200 Ų | 200 | 68.1 Ų | 68.1 | 87% | 0.87 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -116.7 | 14.3 | -179 | -63.9 | -173.4 | 178.9 | -177.7 | 0 | 112.2 | N995 A996 | N995-K998 PolarHBondContact O-N 2.92Å; N995-K998 VanDerWaalsContact O-N 3.16Å; A996-K998 VanDerWaalsContact C-N 3.29Å; A996-K998 PolarHBondContact O-N 2.92Å |
| 999 | S | 85.6 | Confident | 87.1 | Confident | 14 Ų | 14 | 68.1 Ų | 68.1 | 10% | 0.098 | 33% | 0.325 | C | S | . | . | trans | -77 | 144 | -179 | 72.4 | 0 | 0 | 0 | 0 | 110.4 | A996 E1001 F1002 E1003 | A996-S999 VanDerWaalsContact O-CB 3.32Å; A996-S999 WeakPolarHBondContact O-CB 3.37Å; A996-S999 PolarHBondContact O-N 3.09Å; A996-S999 VanDerWaalsContact O-N 3.14Å; A996-S999 PolarHBondContact O-OG 3.19Å; S999-E1001 VanDerWaalsContact CB-OE2 3.29Å; S999-E1001 WeakPolarHBondContact CB-OE2 3.32Å; S999-E1001 PolarHBondContact O-N 2.97Å; S999-F1002 PolarHBondContact O-N 2.94Å; S999-F1002 VanDerWaalsContact OG-CB 3.29Å; S999-F1002 WeakPolarHBondContact OG-CB 3.33Å; S999-F1002 PolarHBondContact OG-N 3.42Å; S999-F1002 VanDerWaalsContact OG-N 3.09Å; S999-E1003 PolarHBondContact O-N 3Å | ||
| 1000 | K | 90.6 | Very high | 87.4 | Confident | 169 Ų | 169 | 68.2 Ų | 68.2 | 74% | 0.735 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.4 | -28 | 174.9 | -70.4 | -175.9 | 176.5 | -178.5 | 0 | 111 | E1003 A1004 | K1000-E1003 PolarHBondContact O-N 3.07Å; K1000-A1004 WeakPolarHBondContact O-CB 3.43Å; K1000-A1004 PolarHBondContact O-N 3.17Å |
| 1001 | E | 91.9 | Very high | 87.7 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 176.7 | -63.5 | 73.4 | -163 | 0 | 0 | 111.5 | I989 S999 A1004 F1005 | I989-E1001 WeakPolarHBondContact O-CB 3.41Å; S999-E1001 VanDerWaalsContact CB-OE2 3.29Å; S999-E1001 WeakPolarHBondContact CB-OE2 3.32Å; S999-E1001 PolarHBondContact O-N 2.97Å; E1001-A1004 PolarHBondContact O-N 3.06Å; E1001-F1005 PolarHBondContact O-N 3.14Å |
| 1002 | F | 89.1 | Confident | 88.1 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69 | -40.6 | 174.7 | -176.1 | -113.6 | 0 | 0 | 0 | 111.9 | L981 L986 I989 A996 S999 A1004 F1005 Q1006 Y1072 | L981-F1002 HydrophobicContact CD2-CE2 4.24Å; L986-F1002 HydrophobicContact CD2-CD2 3.67Å; L986-F1002 HydrophobicContact CD2-CE2 3.26Å; L986-F1002 HydrophobicContact CD2-CZ 4.02Å; I989-F1002 HydrophobicContact CG2-CD2 4.32Å; A996-F1002 VanDerWaalsContact O-CB 3.3Å; A996-F1002 WeakPolarHBondContact O-CB 3.48Å; S999-F1002 PolarHBondContact O-N 2.94Å; S999-F1002 VanDerWaalsContact OG-CB 3.29Å; S999-F1002 WeakPolarHBondContact OG-CB 3.33Å; S999-F1002 PolarHBondContact OG-N 3.42Å; S999-F1002 VanDerWaalsContact OG-N 3.09Å; F1002-A1004 VanDerWaalsContact C-N 3.28Å; F1002-A1004 PolarHBondContact O-N 3.45Å; F1002-F1005 HydrophobicContact CD2-CD1 4.12Å; F1002-F1005 AromaticContact CE2-CD1 3.94Å; F1002-F1005 HydrophobicContact CE2-CD1 3.94Å; F1002-F1005 HydrophobicContact CE2-CE1 4.43Å; F1002-F1005 WeakPolarHBondContact O-CB 3.26Å; F1002-F1005 PolarHBondContact O-N 3.27Å; F1002-F1005 VanDerWaalsContact O-N 3.09Å; F1002-Q1006 HydrophobicContact CD1-CG 4.33Å; F1002-Q1006 HydrophobicContact CE1-CG 3.94Å; F1002-Q1006 HydrophobicContact CE2-CG 4.38Å; F1002-Q1006 HydrophobicContact CZ-CG 3.97Å; F1002-Q1006 WeakPolarHBondContact O-CG 3.42Å; F1002-Q1006 PolarHBondContact O-N 3.22Å; F1002-Y1072 AromaticContact CE1-CD2 3.95Å; F1002-Y1072 HydrophobicContact CE1-CD2 3.95Å; F1002-Y1072 AromaticContact CE1-CE2 3.89Å; F1002-Y1072 HydrophobicContact CE1-CE2 3.89Å; F1002-Y1072 AromaticContact CZ-CD2 3.6Å; F1002-Y1072 HydrophobicContact CZ-CD2 3.6Å; F1002-Y1072 AromaticContact CZ-CE2 3.99Å; F1002-Y1072 HydrophobicContact CZ-CE2 3.99Å; F1002-Y1072 HydrophobicContact CZ-CG 4.29Å |
| 1003 | E | 90.5 | Very high | 88.8 | Confident | 117 Ų | 117 | 67 Ų | 67 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 173.2 | -173.3 | -177.9 | -179.2 | 0 | 0 | 111.4 | S999 K1000 Q1006 R1007 | S999-E1003 PolarHBondContact O-N 3Å; K1000-E1003 PolarHBondContact O-N 3.07Å; E1003-Q1006 PolarHBondContact O-N 3.19Å; E1003-R1007 PolarHBondContact O-N 3.23Å; E1003-R1007 VanDerWaalsContact O-N 3.1Å |
| 1004 | A | 93.6 | Very high | 89.6 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1000 E1001 F1002 R1007 L1008 | K1000-A1004 WeakPolarHBondContact O-CB 3.43Å; K1000-A1004 PolarHBondContact O-N 3.17Å; E1001-A1004 PolarHBondContact O-N 3.06Å; F1002-A1004 VanDerWaalsContact C-N 3.28Å; F1002-A1004 PolarHBondContact O-N 3.45Å; A1004-R1007 PolarHBondContact O-N 3.18Å; A1004-L1008 WeakPolarHBondContact O-CB 3.41Å; A1004-L1008 PolarHBondContact O-N 3.47Å |
| 1005 | F | 94.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 173.7 | 173.7 | -98 | 0 | 0 | 0 | 112.4 | I923 C926 A927 L981 I989 E1001 F1002 R1007 L1008 C1009 | I923-F1005 HydrophobicContact CG2-CD2 4.06Å; C926-F1005 HydrophobicContact CB-CE2 4.24Å; A927-F1005 HydrophobicContact CB-CD2 4.25Å; A927-F1005 HydrophobicContact CB-CE2 3.79Å; L981-F1005 HydrophobicContact CD1-CE1 4.12Å; L981-F1005 HydrophobicContact CD1-CZ 4.23Å; L981-F1005 HydrophobicContact CD2-CE1 4.27Å; I989-F1005 HydrophobicContact CD1-CD1 4.05Å; I989-F1005 HydrophobicContact CD1-CD2 3.9Å; I989-F1005 HydrophobicContact CD1-CE1 3.94Å; I989-F1005 HydrophobicContact CD1-CE2 3.76Å; I989-F1005 HydrophobicContact CD1-CG 4.03Å; I989-F1005 HydrophobicContact CD1-CZ 3.79Å; I989-F1005 HydrophobicContact CG1-CD2 4.22Å; I989-F1005 HydrophobicContact CG1-CE2 4.39Å; I989-F1005 HydrophobicContact CG1-CG 4.48Å; I989-F1005 HydrophobicContact CG2-CB 3.62Å; I989-F1005 HydrophobicContact CG2-CD2 4.3Å; I989-F1005 HydrophobicContact CG2-CG 3.91Å; E1001-F1005 PolarHBondContact O-N 3.14Å; F1002-F1005 HydrophobicContact CD2-CD1 4.12Å; F1002-F1005 AromaticContact CE2-CD1 3.94Å; F1002-F1005 HydrophobicContact CE2-CD1 3.94Å; F1002-F1005 HydrophobicContact CE2-CE1 4.43Å; F1002-F1005 WeakPolarHBondContact O-CB 3.26Å; F1002-F1005 PolarHBondContact O-N 3.27Å; F1002-F1005 VanDerWaalsContact O-N 3.09Å; F1005-R1007 PolarHBondContact O-N 3.32Å; F1005-L1008 WeakPolarHBondContact O-CB 3.48Å; F1005-L1008 PolarHBondContact O-N 3.43Å; F1005-C1009 VanDerWaalsContact CZ-SG 3.58Å; F1005-C1009 PolarHBondContact O-N 2.84Å; F1005-C1009 PolarHBondContact O-SG 3.37Å |
| 1006 | Q | 92.9 | Very high | 91.7 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 176 | -67 | -178.6 | -77.9 | 0 | 0 | 111.6 | F1002 E1003 C1009 G1010 L1068 N1069 | F1002-Q1006 HydrophobicContact CD1-CG 4.33Å; F1002-Q1006 HydrophobicContact CE1-CG 3.94Å; F1002-Q1006 HydrophobicContact CE2-CG 4.38Å; F1002-Q1006 HydrophobicContact CZ-CG 3.97Å; F1002-Q1006 WeakPolarHBondContact O-CG 3.42Å; F1002-Q1006 PolarHBondContact O-N 3.22Å; E1003-Q1006 PolarHBondContact O-N 3.19Å; Q1006-C1009 PolarHBondContact O-N 2.97Å; Q1006-G1010 PolarHBondContact O-N 3.3Å; Q1006-L1068 HydrophobicContact CB-CD2 4.05Å; Q1006-L1068 HydrophobicContact CG-CD2 3.96Å; Q1006-N1069 PolarHBondContact NE2-OD1 2.99Å |
| 1007 | R | 95 | Very high | 92.7 | Very high | 147 Ų | 147 | 52.2 Ų | 52.2 | 56% | 0.555 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -60.4 | -45.6 | 174.3 | -70 | -170.3 | -60.6 | 117.9 | -0.9 | 111.7 | E1003 A1004 F1005 C1009 G1010 E1011 | E1003-R1007 PolarHBondContact O-N 3.23Å; E1003-R1007 VanDerWaalsContact O-N 3.1Å; A1004-R1007 PolarHBondContact O-N 3.18Å; F1005-R1007 PolarHBondContact O-N 3.32Å; R1007-C1009 PolarHBondContact O-N 3.16Å; R1007-G1010 PolarHBondContact O-N 3.11Å; R1007-G1010 VanDerWaalsContact O-N 3.14Å; R1007-E1011 WeakPolarHBondContact O-CG 3.35Å; R1007-E1011 PolarHBondContact O-N 3.04Å |
| 1008 | L | 96.4 | Very high | 93.9 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 177.5 | -178.9 | 64 | 0 | 0 | 0 | 112.2 | F855 I923 A927 A1004 F1005 A1012 | F855-L1008 HydrophobicContact CE1-CD1 3.69Å; F855-L1008 HydrophobicContact CE1-CD2 4.41Å; F855-L1008 HydrophobicContact CE1-CG 3.88Å; F855-L1008 HydrophobicContact CZ-CD1 4.17Å; I923-L1008 HydrophobicContact CG2-CD2 4.31Å; A927-L1008 HydrophobicContact CB-CD2 3.82Å; A927-L1008 HydrophobicContact CB-CG 4Å; A1004-L1008 WeakPolarHBondContact O-CB 3.41Å; A1004-L1008 PolarHBondContact O-N 3.47Å; F1005-L1008 WeakPolarHBondContact O-CB 3.48Å; F1005-L1008 PolarHBondContact O-N 3.43Å; L1008-A1012 WeakPolarHBondContact O-CB 3.43Å; L1008-A1012 PolarHBondContact O-N 3.46Å |
| 1009 | C | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 174.4 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | V931 F1005 Q1006 R1007 A1012 Y1013 F1064 L1068 | V931-C1009 HydrophobicContact CG2-CB 4.21Å; V931-C1009 WeakPolarHBondContact CG2-O 3.47Å; F1005-C1009 VanDerWaalsContact CZ-SG 3.58Å; F1005-C1009 PolarHBondContact O-N 2.84Å; F1005-C1009 PolarHBondContact O-SG 3.37Å; Q1006-C1009 PolarHBondContact O-N 2.97Å; R1007-C1009 PolarHBondContact O-N 3.16Å; C1009-A1012 PolarHBondContact O-N 2.89Å; C1009-Y1013 WeakPolarHBondContact O-CB 3.38Å; C1009-Y1013 PolarHBondContact O-N 3.23Å; C1009-F1064 HydrophobicContact CB-CE1 3.83Å; C1009-F1064 HydrophobicContact CB-CZ 4Å; C1009-L1068 HydrophobicContact CB-CD2 4.39Å |
| 1010 | G | 97.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1006 R1007 Y1013 L1014 | Q1006-G1010 PolarHBondContact O-N 3.3Å; R1007-G1010 PolarHBondContact O-N 3.11Å; R1007-G1010 VanDerWaalsContact O-N 3.14Å; G1010-Y1013 PolarHBondContact O-N 2.73Å; G1010-L1014 WeakPolarHBondContact O-CG 3.36Å; G1010-L1014 PolarHBondContact O-N 3.07Å |
| 1011 | E | 97.2 | Very high | 95.4 | Very high | 96 Ų | 96 | 42.1 Ų | 42.1 | 45% | 0.449 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.7 | -47 | 174.7 | -72 | 168.4 | -168.6 | 0 | 0 | 111.1 | M853 R1007 Y1013 L1014 V1015 | M853-E1011 HydrophobicContact SD-CB 4.32Å; R1007-E1011 WeakPolarHBondContact O-CG 3.35Å; R1007-E1011 PolarHBondContact O-N 3.04Å; E1011-Y1013 PolarHBondContact O-N 3.19Å; E1011-L1014 PolarHBondContact O-N 3.05Å; E1011-V1015 PolarHBondContact O-N 3.34Å |
| 1012 | A | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W848 F855 V931 L1008 C1009 V1015 L1016 | W848-A1012 HydrophobicContact CZ2-CB 4.24Å; W848-A1012 PolarHBondContact NE1-O 2.79Å; F855-A1012 HydrophobicContact CE1-CB 3.79Å; F855-A1012 HydrophobicContact CE2-CB 3.89Å; F855-A1012 HydrophobicContact CZ-CB 3.29Å; V931-A1012 HydrophobicContact CG2-CB 4.07Å; L1008-A1012 WeakPolarHBondContact O-CB 3.43Å; L1008-A1012 PolarHBondContact O-N 3.46Å; C1009-A1012 PolarHBondContact O-N 2.89Å; A1012-V1015 PolarHBondContact O-N 3.46Å; A1012-L1016 PolarHBondContact O-N 2.96Å |
| 1013 | Y | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 178.1 | 172.2 | -98 | 0 | 0 | 0 | 111.9 | V931 F934 V935 C1009 G1010 E1011 V1015 L1016 H1017 T1050 A1060 F1064 | V931-Y1013 HydrophobicContact CG1-CD2 4.48Å; F934-Y1013 HydrophobicContact CD1-CD2 4.42Å; F934-Y1013 HydrophobicContact CD1-CE2 4.31Å; F934-Y1013 HydrophobicContact CE1-CD2 4.32Å; F934-Y1013 AromaticContact CE1-CE2 3.83Å; F934-Y1013 HydrophobicContact CE1-CE2 3.83Å; V935-Y1013 HydrophobicContact CG2-CD2 4.4Å; V935-Y1013 HydrophobicContact CG2-CE2 4.46Å; C1009-Y1013 WeakPolarHBondContact O-CB 3.38Å; C1009-Y1013 PolarHBondContact O-N 3.23Å; G1010-Y1013 PolarHBondContact O-N 2.73Å; E1011-Y1013 PolarHBondContact O-N 3.19Å; Y1013-V1015 VanDerWaalsContact C-N 3.27Å; Y1013-V1015 PolarHBondContact O-N 2.84Å; Y1013-L1016 PolarHBondContact O-N 3.41Å; Y1013-H1017 HydrophobicContact CE1-CB 4.33Å; Y1013-H1017 PolarHBondContact O-N 3.27Å; Y1013-T1050 VanDerWaalsContact CE2-O 3.24Å; Y1013-T1050 WeakPolarHBondContact CE2-O 3.35Å; Y1013-T1050 PolarHBondContact OH-O 2.77Å; Y1013-A1060 HydrophobicContact CE1-CB 4.07Å; Y1013-A1060 WeakPolarHBondContact CE1-O 3.24Å; Y1013-F1064 HydrophobicContact CD1-CB 3.5Å; Y1013-F1064 HydrophobicContact CD1-CD1 4.31Å; Y1013-F1064 HydrophobicContact CD1-CD2 4.24Å; Y1013-F1064 AromaticContact CD1-CG 3.76Å; Y1013-F1064 HydrophobicContact CD1-CG 3.76Å; Y1013-F1064 HydrophobicContact CD2-CB 4.17Å; Y1013-F1064 AromaticContact CD2-CD2 3.48Å; Y1013-F1064 HydrophobicContact CD2-CD2 3.48Å; Y1013-F1064 VanDerWaalsContact CD2-CD2 3.48Å; Y1013-F1064 HydrophobicContact CD2-CE2 4.07Å; Y1013-F1064 AromaticContact CD2-CG 3.88Å; Y1013-F1064 HydrophobicContact CD2-CG 3.88Å; Y1013-F1064 HydrophobicContact CE1-CB 3.57Å; Y1013-F1064 HydrophobicContact CE1-CG 4.25Å; Y1013-F1064 HydrophobicContact CE2-CB 4.22Å; Y1013-F1064 AromaticContact CE2-CD2 3.97Å; Y1013-F1064 HydrophobicContact CE2-CD2 3.97Å; Y1013-F1064 HydrophobicContact CE2-CG 4.36Å; Y1013-F1064 HydrophobicContact CG-CB 3.81Å; Y1013-F1064 HydrophobicContact CG-CD1 4.09Å; Y1013-F1064 AromaticContact CG-CD2 3.62Å; Y1013-F1064 HydrophobicContact CG-CD2 3.62Å; Y1013-F1064 HydrophobicContact CG-CE2 4.23Å; Y1013-F1064 AromaticContact CG-CG 3.54Å; Y1013-F1064 HydrophobicContact CG-CG 3.54Å |
| 1014 | L | 98.1 | Very high | 96.2 | Very high | 23 Ų | 23 | 34.1 Ų | 34.1 | 12% | 0.12 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -37.8 | 179.3 | -80.6 | 178.4 | 0 | 0 | 0 | 112.5 | G1010 E1011 L1016 H1017 R1018 D1057 L1061 | G1010-L1014 WeakPolarHBondContact O-CG 3.36Å; G1010-L1014 PolarHBondContact O-N 3.07Å; E1011-L1014 PolarHBondContact O-N 3.05Å; L1014-L1016 VanDerWaalsContact C-N 3.33Å; L1014-L1016 PolarHBondContact O-N 3.27Å; L1014-H1017 PolarHBondContact O-N 2.9Å; L1014-R1018 VanDerWaalsContact O-CG 3.28Å; L1014-R1018 WeakPolarHBondContact O-CG 3.38Å; L1014-R1018 PolarHBondContact O-N 3.06Å; L1014-D1057 HydrophobicContact CD2-CB 4.12Å; L1014-D1057 WeakPolarHBondContact CD2-O 3.44Å; L1014-L1061 HydrophobicContact CD1-CB 4.39Å; L1014-L1061 HydrophobicContact CD1-CD1 4.37Å; L1014-L1061 HydrophobicContact CD1-CD2 4.17Å; L1014-L1061 HydrophobicContact CD2-CB 4.09Å; L1014-L1061 HydrophobicContact CG-CB 4.35Å; L1014-L1061 HydrophobicContact CG-CD1 4.36Å |
| 1015 | V | 98 | Very high | 96.3 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.036 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 174.6 | 171 | 0 | 0 | 0 | 0 | 111.6 | I847 D851 M853 E1011 A1012 Y1013 N1019 | I847-V1015 HydrophobicContact CG2-CG1 3.63Å; D851-V1015 HydrophobicContact CB-CG1 4.39Å; D851-V1015 HydrophobicContact CB-CG2 4.26Å; D851-V1015 VanDerWaalsContact OD2-CG2 3.28Å; D851-V1015 WeakPolarHBondContact OD2-CG2 3.35Å; M853-V1015 HydrophobicContact CE-CB 3.96Å; M853-V1015 HydrophobicContact CE-CG1 4.39Å; M853-V1015 HydrophobicContact CE-CG2 3.37Å; E1011-V1015 PolarHBondContact O-N 3.34Å; A1012-V1015 PolarHBondContact O-N 3.46Å; Y1013-V1015 VanDerWaalsContact C-N 3.27Å; Y1013-V1015 PolarHBondContact O-N 2.84Å; V1015-N1019 WeakPolarHBondContact O-CB 3.22Å; V1015-N1019 PolarHBondContact O-N 3.4Å; V1015-N1019 PolarHBondContact O-ND2 3.42Å |
| 1016 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.4 | -40.3 | 175.4 | -60.7 | -166.6 | 0 | 0 | 0 | 112.5 | M844 W848 V931 V935 A1012 Y1013 L1014 N1019 A1020 F1023 L1051 | M844-L1016 HydrophobicContact CB-CD2 4.26Å; M844-L1016 HydrophobicContact CE-CD1 3.88Å; M844-L1016 HydrophobicContact CG-CD1 4.18Å; M844-L1016 HydrophobicContact CG-CD2 3.99Å; M844-L1016 HydrophobicContact SD-CD1 3.93Å; W848-L1016 HydrophobicContact CH2-CD1 4.29Å; W848-L1016 HydrophobicContact CZ2-CD1 3.55Å; W848-L1016 HydrophobicContact CZ2-CD2 3.91Å; W848-L1016 HydrophobicContact CZ2-CG 3.72Å; V931-L1016 HydrophobicContact CG1-CD1 3.8Å; V931-L1016 HydrophobicContact CG1-CG 4.5Å; V935-L1016 HydrophobicContact CG2-CD1 4.1Å; A1012-L1016 PolarHBondContact O-N 2.96Å; Y1013-L1016 PolarHBondContact O-N 3.41Å; L1014-L1016 VanDerWaalsContact C-N 3.33Å; L1014-L1016 PolarHBondContact O-N 3.27Å; L1016-N1019 CarbonylContact O-C 3.47Å; L1016-N1019 VanDerWaalsContact O-C 3.27Å; L1016-N1019 PolarHBondContact O-N 3.5Å; L1016-N1019 VanDerWaalsContact O-N 3.09Å; L1016-A1020 PolarHBondContact O-N 2.83Å; L1016-F1023 HydrophobicContact CB-CE2 4.33Å; L1016-F1023 HydrophobicContact CD2-CE2 3.96Å; L1016-F1023 HydrophobicContact CD2-CZ 3.81Å; L1016-L1051 HydrophobicContact CB-CD2 3.97Å |
| 1017 | H | 96.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 30 Ų | 30 | 9% | 0.088 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.5 | -50.6 | 174.5 | 165.4 | 74.3 | 0 | 0 | 0 | 111.1 | Y1013 L1014 N1019 A1020 L1051 A1052 E1055 D1057 | Y1013-H1017 HydrophobicContact CE1-CB 4.33Å; Y1013-H1017 PolarHBondContact O-N 3.27Å; L1014-H1017 PolarHBondContact O-N 2.9Å; H1017-N1019 PolarHBondContact O-N 2.84Å; H1017-N1019 VanDerWaalsContact O-N 3.17Å; H1017-A1020 WeakPolarHBondContact O-CB 3.25Å; H1017-A1020 PolarHBondContact O-N 2.94Å; H1017-A1020 VanDerWaalsContact O-N 3.07Å; H1017-L1051 PolarHBondContact ND1-O 3.09Å; H1017-A1052 PolarHBondContact CE1-O 2.78Å; H1017-E1055 PolarHBondContact CE1-O 2.9Å; H1017-D1057 IonicContact CD2-OD1 3.44Å; H1017-D1057 PolarHBondContact CD2-OD1 2.88Å; H1017-D1057 VanDerWaalsContact CD2-OD1 3.25Å; H1017-D1057 IonicContact NE2-OD1 2.77Å; H1017-D1057 PolarHBondContact NE2-OD1 2.86Å |
| 1018 | R | 95.5 | Very high | 96.6 | Very high | 146 Ų | 146 | 23 Ų | 23 | 55% | 0.551 | 10% | 0.104 | S | C | * | . | H | α-helix | trans | -62.7 | -23.6 | 177 | -68.2 | 168.2 | -178 | 163.2 | 0.5 | 113.6 | L1014 D1057 | L1014-R1018 VanDerWaalsContact O-CG 3.28Å; L1014-R1018 WeakPolarHBondContact O-CG 3.38Å; L1014-R1018 PolarHBondContact O-N 3.06Å; R1018-D1057 IonicContact CZ-OD2 2.84Å; R1018-D1057 IonicContact NE-OD1 3.39Å; R1018-D1057 PolarHBondContact NE-OD1 2.88Å; R1018-D1057 IonicContact NE-OD2 3.77Å; R1018-D1057 PolarHBondContact NE-OD2 2.91Å; R1018-D1057 IonicContact NH2-OD2 2.74Å; R1018-D1057 PolarHBondContact NH2-OD2 2.81Å |
| 1019 | N | 95.2 | Very high | 96.5 | Very high | 52 Ų | 52 | 21 Ų | 21 | 28% | 0.278 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 15.2 | 178.2 | -72.6 | -82.3 | 0 | 0 | 0 | 113.2 | I847 V1015 L1016 H1017 R1021 I1022 | I847-N1019 HydrophobicContact CD1-CB 4.32Å; I847-N1019 HydrophobicContact CG2-CB 4.29Å; V1015-N1019 WeakPolarHBondContact O-CB 3.22Å; V1015-N1019 PolarHBondContact O-N 3.4Å; V1015-N1019 PolarHBondContact O-ND2 3.42Å; L1016-N1019 CarbonylContact O-C 3.47Å; L1016-N1019 VanDerWaalsContact O-C 3.27Å; L1016-N1019 PolarHBondContact O-N 3.5Å; L1016-N1019 VanDerWaalsContact O-N 3.09Å; H1017-N1019 PolarHBondContact O-N 2.84Å; H1017-N1019 VanDerWaalsContact O-N 3.17Å; N1019-R1021 PolarHBondContact O-N 3.01Å; N1019-I1022 HydrophobicContact CB-CD1 4.29Å; N1019-I1022 WeakPolarHBondContact O-CB 2.97Å; N1019-I1022 PolarHBondContact O-N 3.35Å |
| 1020 | A | 95.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 21 Ų | 21 | 5% | 0.05 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -55.2 | -33.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1016 H1017 I1022 F1023 I1024 L1051 V1053 | L1016-A1020 PolarHBondContact O-N 2.83Å; H1017-A1020 WeakPolarHBondContact O-CB 3.25Å; H1017-A1020 PolarHBondContact O-N 2.94Å; H1017-A1020 VanDerWaalsContact O-N 3.07Å; A1020-I1022 PolarHBondContact O-N 3.24Å; A1020-F1023 PolarHBondContact O-N 2.92Å; A1020-I1024 HydrophobicContact CB-CD1 4.37Å; A1020-I1024 WeakPolarHBondContact O-CG1 3.32Å; A1020-I1024 PolarHBondContact O-N 3.36Å; A1020-L1051 HydrophobicContact CB-CB 4.08Å; A1020-L1051 HydrophobicContact CB-CD1 3.73Å; A1020-L1051 HydrophobicContact CB-CG 4.42Å; A1020-V1053 HydrophobicContact CB-CG1 3.71Å |
| 1021 | R | 94.2 | Very high | 96.1 | Very high | 65 Ų | 65 | 21.4 Ų | 21.4 | 25% | 0.245 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -50.2 | -43.1 | 175.2 | -175.9 | 173.7 | -165.9 | 134.9 | -3.8 | 112.4 | P569 E630 N1019 F1023 I1024 T1025 | P569-R1021 HydrophobicContact CG-CG 3.69Å; E630-R1021 IonicContact OE1-NH2 3.76Å; E630-R1021 IonicContact OE2-CZ 3.73Å; E630-R1021 VanDerWaalsContact OE2-CZ 3.22Å; E630-R1021 IonicContact OE2-NE 2.72Å; E630-R1021 PolarHBondContact OE2-NE 3.38Å; E630-R1021 IonicContact OE2-NH2 2.88Å; E630-R1021 PolarHBondContact OE2-NH2 2.88Å; N1019-R1021 PolarHBondContact O-N 3.01Å; R1021-F1023 PolarHBondContact O-N 2.85Å; R1021-I1024 PolarHBondContact O-N 2.85Å; R1021-T1025 WeakPolarHBondContact O-CB 3.5Å; R1021-T1025 PolarHBondContact O-N 2.77Å; R1021-T1025 PolarHBondContact O-OG1 2.85Å; R1021-T1025 VanDerWaalsContact O-OG1 3.06Å |
| 1022 | I | 95.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 17.3 Ų | 17.3 | 12% | 0.123 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.4 | -52.2 | -178 | -64.1 | 178.1 | 0 | 0 | 0 | 109.8 | M626 I843 I847 N1019 A1020 I1024 T1025 L1026 | M626-I1022 HydrophobicContact CE-CB 4.03Å; M626-I1022 HydrophobicContact CE-CG1 3.99Å; M626-I1022 HydrophobicContact CE-CG2 3.74Å; M626-I1022 HydrophobicContact CG-CG1 4.22Å; M626-I1022 HydrophobicContact SD-CG1 4.24Å; M626-I1022 HydrophobicContact SD-CG2 4.15Å; I843-I1022 HydrophobicContact CG2-CG2 4.18Å; I847-I1022 HydrophobicContact CD1-CD1 3.96Å; N1019-I1022 HydrophobicContact CB-CD1 4.29Å; N1019-I1022 WeakPolarHBondContact O-CB 2.97Å; N1019-I1022 PolarHBondContact O-N 3.35Å; A1020-I1022 PolarHBondContact O-N 3.24Å; I1022-I1024 PolarHBondContact O-N 3.4Å; I1022-T1025 PolarHBondContact O-N 3.28Å; I1022-L1026 HydrophobicContact CG2-CD1 3.74Å; I1022-L1026 HydrophobicContact CG2-CG 4.38Å; I1022-L1026 WeakPolarHBondContact O-CB 3.49Å; I1022-L1026 WeakPolarHBondContact O-CG 3.45Å; I1022-L1026 PolarHBondContact O-N 3.28Å |
| 1023 | F | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66 | -41.7 | -177.2 | -53.9 | -70.7 | 0 | 0 | 0 | 111.6 | V840 I843 M844 I847 L1016 A1020 R1021 T1025 L1026 F1027 M1047 L1051 | V840-F1023 HydrophobicContact CG1-CD1 3.83Å; V840-F1023 HydrophobicContact CG1-CE1 3.95Å; I843-F1023 HydrophobicContact CG2-CE1 4.15Å; M844-F1023 HydrophobicContact CE-CD1 4.29Å; M844-F1023 HydrophobicContact CE-CE1 3.94Å; M844-F1023 HydrophobicContact CE-CZ 4.2Å; M844-F1023 HydrophobicContact CG-CE1 3.55Å; M844-F1023 HydrophobicContact CG-CZ 3.6Å; I847-F1023 HydrophobicContact CD1-CE1 4.35Å; I847-F1023 HydrophobicContact CD1-CE2 4.23Å; I847-F1023 HydrophobicContact CD1-CZ 3.65Å; L1016-F1023 HydrophobicContact CB-CE2 4.33Å; L1016-F1023 HydrophobicContact CD2-CE2 3.96Å; L1016-F1023 HydrophobicContact CD2-CZ 3.81Å; A1020-F1023 PolarHBondContact O-N 2.92Å; R1021-F1023 PolarHBondContact O-N 2.85Å; F1023-T1025 PolarHBondContact O-N 3.07Å; F1023-L1026 PolarHBondContact O-N 3.35Å; F1023-F1027 WeakPolarHBondContact O-CD2 3.17Å; F1023-F1027 PolarHBondContact O-N 3.18Å; F1023-M1047 HydrophobicContact CB-CE 4.32Å; F1023-M1047 HydrophobicContact CB-SD 3.39Å; F1023-M1047 WeakPolarHBondContact CB-SD 3.34Å; F1023-L1051 HydrophobicContact CD2-CD1 4.27Å |
| 1024 | I | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 179.3 | -65.3 | 164.1 | 0 | 0 | 0 | 111.1 | D568 P569 L570 A1020 R1021 I1022 F1027 T1028 I1044 R1048 V1053 | D568-I1024 HydrophobicContact CB-CD1 3.69Å; P569-I1024 HydrophobicContact CB-CG2 3.98Å; P569-I1024 HydrophobicContact CG-CB 4.27Å; P569-I1024 HydrophobicContact CG-CG2 4.01Å; L570-I1024 HydrophobicContact CB-CG2 4.45Å; L570-I1024 HydrophobicContact CD1-CG2 3.88Å; L570-I1024 HydrophobicContact CG-CG2 3.7Å; A1020-I1024 HydrophobicContact CB-CD1 4.37Å; A1020-I1024 WeakPolarHBondContact O-CG1 3.32Å; A1020-I1024 PolarHBondContact O-N 3.36Å; R1021-I1024 PolarHBondContact O-N 2.85Å; I1022-I1024 PolarHBondContact O-N 3.4Å; I1024-F1027 PolarHBondContact O-N 3.24Å; I1024-T1028 WeakPolarHBondContact O-CB 3.39Å; I1024-T1028 PolarHBondContact O-N 3.45Å; I1024-T1028 PolarHBondContact O-OG1 3.18Å; I1024-I1044 HydrophobicContact CG2-CG2 4.32Å; I1024-R1048 HydrophobicContact CD1-CG 3.85Å; I1024-R1048 HydrophobicContact CG1-CG 4.2Å; I1024-V1053 HydrophobicContact CD1-CG1 3.82Å |
| 1025 | T | 96.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.9 | -50.5 | 174 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | M626 E630 R1021 I1022 F1023 F1027 T1028 M1029 | M626-T1025 HydrophobicContact CE-CG2 4.43Å; E630-T1025 HydrophobicContact CB-CG2 3.75Å; E630-T1025 HydrophobicContact CG-CG2 4.3Å; R1021-T1025 WeakPolarHBondContact O-CB 3.5Å; R1021-T1025 PolarHBondContact O-N 2.77Å; R1021-T1025 PolarHBondContact O-OG1 2.85Å; R1021-T1025 VanDerWaalsContact O-OG1 3.06Å; I1022-T1025 PolarHBondContact O-N 3.28Å; F1023-T1025 PolarHBondContact O-N 3.07Å; T1025-F1027 PolarHBondContact O-N 3.49Å; T1025-T1028 PolarHBondContact O-N 2.92Å; T1025-M1029 HydrophobicContact CG2-SD 4.19Å; T1025-M1029 WeakPolarHBondContact O-CG 3.48Å; T1025-M1029 PolarHBondContact O-N 3.24Å |
| 1026 | L | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61 | -43.9 | -178 | -70.9 | 175.1 | 0 | 0 | 0 | 112.2 | M629 Y661 Y664 I843 I1022 F1023 M1029 M1030 | M629-L1026 HydrophobicContact CE-CD2 4.49Å; Y661-L1026 HydrophobicContact CD1-CD2 3.94Å; Y661-L1026 HydrophobicContact CE1-CD1 4.31Å; Y661-L1026 HydrophobicContact CE1-CD2 4.23Å; Y664-L1026 HydrophobicContact CD1-CB 3.96Å; Y664-L1026 HydrophobicContact CD1-CD2 3.73Å; Y664-L1026 HydrophobicContact CD1-CG 4.4Å; Y664-L1026 WeakPolarHBondContact CD1-O 3.47Å; Y664-L1026 HydrophobicContact CD2-CD2 3.8Å; Y664-L1026 HydrophobicContact CE1-CB 3.56Å; Y664-L1026 HydrophobicContact CE1-CD2 3.9Å; Y664-L1026 HydrophobicContact CE1-CG 4.17Å; Y664-L1026 HydrophobicContact CE2-CD1 4.45Å; Y664-L1026 HydrophobicContact CE2-CD2 3.93Å; Y664-L1026 HydrophobicContact CG-CD2 3.69Å; I843-L1026 HydrophobicContact CD1-CD1 3.61Å; I1022-L1026 HydrophobicContact CG2-CD1 3.74Å; I1022-L1026 HydrophobicContact CG2-CG 4.38Å; I1022-L1026 WeakPolarHBondContact O-CB 3.49Å; I1022-L1026 WeakPolarHBondContact O-CG 3.45Å; I1022-L1026 PolarHBondContact O-N 3.28Å; F1023-L1026 PolarHBondContact O-N 3.35Å; L1026-M1029 WeakPolarHBondContact O-CB 3.34Å; L1026-M1029 PolarHBondContact O-N 3.45Å; L1026-M1030 VanDerWaalsContact O-CG 3.24Å; L1026-M1030 WeakPolarHBondContact O-CG 3.43Å; L1026-M1030 PolarHBondContact O-N 3.29Å |
| 1027 | F | 96.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 23 Ų | 23 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.9 | -33.4 | 177.5 | -82.6 | -110.3 | 0 | 0 | 0 | 112.4 | V840 L936 F962 L963 F1023 I1024 T1025 M1029 M1030 L1038 I1044 M1047 | V840-F1027 HydrophobicContact CG1-CE2 4.36Å; V840-F1027 HydrophobicContact CG2-CE2 3.57Å; V840-F1027 HydrophobicContact CG2-CZ 3.97Å; L936-F1027 HydrophobicContact CD2-CE2 4.25Å; L936-F1027 HydrophobicContact CD2-CZ 3.71Å; F962-F1027 AromaticContact CD2-CE1 3.84Å; F962-F1027 HydrophobicContact CD2-CE1 3.84Å; F962-F1027 HydrophobicContact CE2-CD1 4.31Å; F962-F1027 AromaticContact CE2-CE1 3.6Å; F962-F1027 HydrophobicContact CE2-CE1 3.6Å; L963-F1027 HydrophobicContact CD1-CD1 3.96Å; L963-F1027 HydrophobicContact CD1-CE1 4.08Å; L963-F1027 HydrophobicContact CD2-CD1 4.13Å; L963-F1027 HydrophobicContact CD2-CE1 3.92Å; L963-F1027 HydrophobicContact CG-CD1 4.44Å; L963-F1027 HydrophobicContact CG-CE1 4.16Å; F1023-F1027 WeakPolarHBondContact O-CD2 3.17Å; F1023-F1027 PolarHBondContact O-N 3.18Å; I1024-F1027 PolarHBondContact O-N 3.24Å; T1025-F1027 PolarHBondContact O-N 3.49Å; F1027-M1029 VanDerWaalsContact C-N 3.33Å; F1027-M1029 PolarHBondContact O-N 3.06Å; F1027-M1030 PolarHBondContact O-N 3.33Å; F1027-M1030 VanDerWaalsContact O-N 3.11Å; F1027-L1038 HydrophobicContact CD1-CD1 4.39Å; F1027-L1038 HydrophobicContact CD1-CD2 4Å; F1027-I1044 HydrophobicContact CB-CD1 4.17Å; F1027-I1044 HydrophobicContact CB-CG1 4.2Å; F1027-I1044 HydrophobicContact CB-CG2 4.41Å; F1027-M1047 HydrophobicContact CD1-CE 4.17Å; F1027-M1047 HydrophobicContact CD2-CE 3.67Å; F1027-M1047 HydrophobicContact CD2-SD 4.05Å; F1027-M1047 HydrophobicContact CE1-CE 3.85Å; F1027-M1047 HydrophobicContact CE2-CE 3.35Å; F1027-M1047 HydrophobicContact CE2-SD 4.25Å; F1027-M1047 HydrophobicContact CG-CE 4.07Å; F1027-M1047 HydrophobicContact CG-SD 4.42Å; F1027-M1047 HydrophobicContact CZ-CE 3.45Å; F1027-M1047 VanDerWaalsContact CZ-CE 3.45Å |
| 1028 | T | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 174.4 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | L570 D633 I1024 T1025 M1030 L1031 L1041 | L570-T1028 HydrophobicContact CD2-CG2 4.29Å; D633-T1028 HydrophobicContact CB-CG2 3.99Å; I1024-T1028 WeakPolarHBondContact O-CB 3.39Å; I1024-T1028 PolarHBondContact O-N 3.45Å; I1024-T1028 PolarHBondContact O-OG1 3.18Å; T1025-T1028 PolarHBondContact O-N 2.92Å; T1028-M1030 PolarHBondContact O-N 3.1Å; T1028-L1031 HydrophobicContact CG2-CD1 4.23Å; T1028-L1031 WeakPolarHBondContact O-CD1 3.36Å; T1028-L1031 WeakPolarHBondContact O-CG 3.48Å; T1028-L1031 PolarHBondContact O-N 3.45Å; T1028-L1041 HydrophobicContact CG2-CD2 4.07Å |
| 1029 | M | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63 | -26.2 | 173.8 | -69.2 | 174.1 | 76.8 | 0 | 0 | 113.3 | M629 D633 L665 V668 T1025 L1026 F1027 | M629-M1029 HydrophobicContact CB-CE 4.17Å; M629-M1029 HydrophobicContact CB-SD 3.87Å; M629-M1029 HydrophobicContact CG-CE 4.41Å; D633-M1029 HydrophobicContact CB-CG 3.95Å; L665-M1029 HydrophobicContact CD2-CE 4.29Å; V668-M1029 HydrophobicContact CB-CE 4.43Å; V668-M1029 HydrophobicContact CG1-CB 3.6Å; V668-M1029 HydrophobicContact CG1-CE 3.6Å; V668-M1029 HydrophobicContact CG1-CG 3.85Å; V668-M1029 HydrophobicContact CG2-CE 3.96Å; T1025-M1029 HydrophobicContact CG2-SD 4.19Å; T1025-M1029 WeakPolarHBondContact O-CG 3.48Å; T1025-M1029 PolarHBondContact O-N 3.24Å; L1026-M1029 WeakPolarHBondContact O-CB 3.34Å; L1026-M1029 PolarHBondContact O-N 3.45Å; F1027-M1029 VanDerWaalsContact C-N 3.33Å; F1027-M1029 PolarHBondContact O-N 3.06Å |
| 1030 | M | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -90.8 | -0.7 | -174.8 | -64.4 | -60 | -67.9 | 0 | 0 | 114.3 | M663 Y664 Q667 L836 L1026 F1027 T1028 C1032 M1033 L1038 | M663-M1030 HydrophobicContact CE-CE 3.88Å; M663-M1030 HydrophobicContact CE-SD 4.23Å; M663-M1030 HydrophobicContact CG-CE 4.05Å; M663-M1030 HydrophobicContact SD-CE 3.95Å; Y664-M1030 HydrophobicContact CD1-CG 3.42Å; Y664-M1030 VanDerWaalsContact CD1-CG 3.42Å; Y664-M1030 HydrophobicContact CD1-SD 3.43Å; Y664-M1030 WeakPolarHBondContact CD1-SD 3.35Å; Y664-M1030 HydrophobicContact CE1-CG 3.53Å; Y664-M1030 HydrophobicContact CE1-SD 3.92Å; Y664-M1030 HydrophobicContact CG-SD 4.12Å; Q667-M1030 HydrophobicContact CB-SD 3.95Å; Q667-M1030 HydrophobicContact CG-CE 3.73Å; Q667-M1030 HydrophobicContact CG-SD 3.77Å; L836-M1030 HydrophobicContact CD1-CE 4.24Å; L836-M1030 HydrophobicContact CD1-CG 4.06Å; L1026-M1030 VanDerWaalsContact O-CG 3.24Å; L1026-M1030 WeakPolarHBondContact O-CG 3.43Å; L1026-M1030 PolarHBondContact O-N 3.29Å; F1027-M1030 PolarHBondContact O-N 3.33Å; F1027-M1030 VanDerWaalsContact O-N 3.11Å; T1028-M1030 PolarHBondContact O-N 3.1Å; M1030-C1032 PolarHBondContact O-N 3.44Å; M1030-C1032 VanDerWaalsContact O-N 3.12Å; M1030-M1033 HydrophobicContact CE-CB 4.05Å; M1030-M1033 HydrophobicContact CE-CE 3.56Å; M1030-M1033 HydrophobicContact CE-CG 3.88Å; M1030-M1033 HydrophobicContact CE-SD 3.3Å; M1030-M1033 WeakPolarHBondContact CE-SD 3.45Å; M1030-M1033 WeakPolarHBondContact O-CB 3.36Å; M1030-M1033 PolarHBondContact O-N 2.93Å; M1030-L1038 HydrophobicContact CB-CD2 3.65Å |
| 1031 | L | 90.9 | Very high | 90.7 | Very high | 11 Ų | 11 | 18.7 Ų | 18.7 | 6% | 0.058 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -55.7 | -30.4 | 177.8 | -71.1 | 169.8 | 0 | 0 | 0 | 113 | L462 V634 T1028 M1033 L1038 K1040 L1041 I1044 | L462-L1031 HydrophobicContact CD1-CD1 4.46Å; V634-L1031 HydrophobicContact CG1-CD1 4.25Å; T1028-L1031 HydrophobicContact CG2-CD1 4.23Å; T1028-L1031 WeakPolarHBondContact O-CD1 3.36Å; T1028-L1031 WeakPolarHBondContact O-CG 3.48Å; T1028-L1031 PolarHBondContact O-N 3.45Å; L1031-M1033 VanDerWaalsContact C-N 3.31Å; L1031-M1033 PolarHBondContact O-N 3.49Å; L1031-L1038 HydrophobicContact CD2-CD1 3.73Å; L1031-L1038 HydrophobicContact CD2-CG 4.08Å; L1031-K1040 VanDerWaalsContact CD2-O 3.3Å; L1031-K1040 WeakPolarHBondContact CD2-O 3.1Å; L1031-L1041 HydrophobicContact CD1-CD2 3.66Å; L1031-L1041 HydrophobicContact CD1-CG 4.11Å; L1031-I1044 HydrophobicContact CD1-CD1 4.37Å; L1031-I1044 HydrophobicContact CD2-CD1 4.28Å; L1031-I1044 HydrophobicContact CG-CD1 4.38Å |
| 1032 | C | 88 | Confident | 90.5 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 7% | 0.068 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -79.9 | -3.7 | 176.1 | 58.4 | 0 | 0 | 0 | 0 | 115.1 | Q667 K670 Y671 M1030 G1034 | Q667-C1032 PolarHBondContact O-SG 2.87Å; K670-C1032 HydrophobicContact CB-CB 4.09Å; K670-C1032 HydrophobicContact CD-CB 3.86Å; K670-C1032 WeakPolarHBondContact CD-O 3.47Å; K670-C1032 PolarHBondContact NZ-O 2.98Å; Y671-C1032 HydrophobicContact CE1-CB 3.71Å; Y671-C1032 HydrophobicContact CE2-CB 4.12Å; Y671-C1032 VanDerWaalsContact CZ-CB 3.46Å; Y671-C1032 WeakPolarHBondContact OH-CB 3.32Å; Y671-C1032 PolarHBondContact OH-N 2.69Å; Y671-C1032 VanDerWaalsContact OH-N 3.1Å; M1030-C1032 PolarHBondContact O-N 3.44Å; M1030-C1032 VanDerWaalsContact O-N 3.12Å; C1032-G1034 PolarHBondContact O-N 2.94Å |
| 1033 | M | 88.1 | Confident | 90.2 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -65.2 | -29.3 | 179.9 | -162.5 | -171.3 | -150.7 | 0 | 0 | 111.4 | M663 R832 M835 M1030 L1031 I1035 | M663-M1033 HydrophobicContact SD-CE 4.17Å; R832-M1033 HydrophobicContact CB-CE 3.49Å; R832-M1033 VanDerWaalsContact CB-CE 3.49Å; R832-M1033 HydrophobicContact CB-SD 4.13Å; R832-M1033 HydrophobicContact CG-CE 3.99Å; R832-M1033 PolarHBondContact NH1-O 3.39Å; M835-M1033 HydrophobicContact CE-CE 3.93Å; M1030-M1033 HydrophobicContact CE-CB 4.05Å; M1030-M1033 HydrophobicContact CE-CE 3.56Å; M1030-M1033 HydrophobicContact CE-CG 3.88Å; M1030-M1033 HydrophobicContact CE-SD 3.3Å; M1030-M1033 WeakPolarHBondContact CE-SD 3.45Å; M1030-M1033 WeakPolarHBondContact O-CB 3.36Å; M1030-M1033 PolarHBondContact O-N 2.93Å; L1031-M1033 VanDerWaalsContact C-N 3.31Å; L1031-M1033 PolarHBondContact O-N 3.49Å; M1033-I1035 HydrophobicContact CG-CG2 4.19Å; M1033-I1035 HydrophobicContact SD-CD1 4.01Å; M1033-I1035 HydrophobicContact SD-CG1 4.5Å; M1033-I1035 HydrophobicContact SD-CG2 3.78Å |
| 1034 | G | 82.9 | Confident | 90.1 | Very high | 45 Ų | 45 | 21.5 Ų | 21.5 | 46% | 0.464 | 12% | 0.123 | S | C | . | . | trans | 72.7 | 30.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1032 | C1032-G1034 PolarHBondContact O-N 2.94Š| ||
| 1035 | I | 86.1 | Confident | 90 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -78.9 | 144.8 | 165.8 | 58 | -175.2 | 0 | 0 | 0 | 109.2 | R832 L836 F962 M1033 E1037 L1038 Q1039 | R832-I1035 HydrophobicContact CB-CG2 4.16Å; L836-I1035 HydrophobicContact CD2-CD1 3.68Å; F962-I1035 HydrophobicContact CE1-CD1 4.02Å; F962-I1035 HydrophobicContact CZ-CD1 3.49Å; F962-I1035 VanDerWaalsContact CZ-CD1 3.49Å; F962-I1035 HydrophobicContact CZ-CG1 4.4Å; M1033-I1035 HydrophobicContact CG-CG2 4.19Å; M1033-I1035 HydrophobicContact SD-CD1 4.01Å; M1033-I1035 HydrophobicContact SD-CG1 4.5Å; M1033-I1035 HydrophobicContact SD-CG2 3.78Å; I1035-E1037 PolarHBondContact O-N 2.69Å; I1035-L1038 HydrophobicContact CD1-CB 3.95Å; I1035-L1038 HydrophobicContact CD1-CD2 4.33Å; I1035-L1038 HydrophobicContact CG1-CB 3.8Å; I1035-L1038 PolarHBondContact O-N 3.11Å; I1035-Q1039 VanDerWaalsContact O-CG 3.31Å; I1035-Q1039 WeakPolarHBondContact O-CG 3.17Å |
| 1036 | P | 82.2 | Confident | 89.8 | Confident | 86 Ų | 86 | 27.1 Ų | 27.1 | 56% | 0.558 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -29 | -171.3 | -27 | 36.4 | 0 | 0 | 0 | 115.7 | ||
| 1037 | E | 86 | Confident | 89.8 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 7% | 0.065 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 2 | -171.2 | -61.4 | -179.6 | 173.1 | 0 | 0 | 113.6 | Q833 H961 F962 H965 I1035 | Q833-E1037 PolarHBondContact NE2-OE2 2.75Å; H961-E1037 WeakPolarHBondContact CA-OE1 2.99Å; H961-E1037 VanDerWaalsContact CA-OE2 3.23Å; H961-E1037 WeakPolarHBondContact CA-OE2 3.25Å; H961-E1037 IonicContact CE1-OE1 2.91Å; H961-E1037 IonicContact CG-OE1 3.97Å; H961-E1037 IonicContact ND1-OE1 2.99Å; H961-E1037 PolarHBondContact ND1-OE1 3.18Å; F962-E1037 HydrophobicContact CD1-CB 4.28Å; F962-E1037 WeakPolarHBondContact CD1-OE2 3.41Å; F962-E1037 HydrophobicContact CE1-CB 3.75Å; F962-E1037 WeakPolarHBondContact CE1-OE2 3.36Å; F962-E1037 HydrophobicContact CZ-CB 4.15Å; F962-E1037 PolarHBondContact N-OE2 3.29Å; H965-E1037 HydrophobicContact CB-CB 4.27Å; H965-E1037 HydrophobicContact CB-CG 3.76Å; H965-E1037 PolarHBondContact CE1-O 3.03Å; H965-E1037 PolarHBondContact ND1-O 3.13Å; I1035-E1037 PolarHBondContact O-N 2.69Å |
| 1038 | L | 89.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -144.1 | 86.7 | 176.5 | -177.3 | 64.2 | 0 | 0 | 0 | 108.8 | L836 F962 L963 F1027 M1030 L1031 I1035 D1043 I1044 | L836-L1038 HydrophobicContact CD2-CD2 4.23Å; F962-L1038 HydrophobicContact CZ-CB 4.14Å; L963-L1038 HydrophobicContact CD1-CB 4.35Å; L963-L1038 HydrophobicContact CD1-CD1 3.86Å; F1027-L1038 HydrophobicContact CD1-CD1 4.39Å; F1027-L1038 HydrophobicContact CD1-CD2 4Å; M1030-L1038 HydrophobicContact CB-CD2 3.65Å; L1031-L1038 HydrophobicContact CD2-CD1 3.73Å; L1031-L1038 HydrophobicContact CD2-CG 4.08Å; I1035-L1038 HydrophobicContact CD1-CB 3.95Å; I1035-L1038 HydrophobicContact CD1-CD2 4.33Å; I1035-L1038 HydrophobicContact CG1-CB 3.8Å; I1035-L1038 PolarHBondContact O-N 3.11Å; L1038-D1043 HydrophobicContact CD1-CB 4.28Å; L1038-I1044 HydrophobicContact CD1-CD1 4.29Å; L1038-I1044 HydrophobicContact CD1-CG1 3.76Å |
| 1039 | Q | 82.2 | Confident | 89.7 | Confident | 45 Ų | 45 | 36.3 Ų | 36.3 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -126.6 | -25.3 | -178.4 | -61.5 | -167.8 | -11 | 0 | 0 | 112.9 | I1035 D1043 | I1035-Q1039 VanDerWaalsContact O-CG 3.31Å; I1035-Q1039 WeakPolarHBondContact O-CG 3.17Å; Q1039-D1043 PolarHBondContact N-OD2 3.09Å |
| 1040 | K | 84.5 | Confident | 89.7 | Confident | 46 Ų | 46 | 36.4 Ų | 36.4 | 20% | 0.2 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -132.1 | 161 | -177.1 | -42.7 | 177.8 | -166.6 | 163.6 | 0 | 111 | D456 L1031 E1042 D1043 | D456-K1040 IonicContact OD1-NZ 2.74Å; D456-K1040 PolarHBondContact OD1-NZ 2.8Å; D456-K1040 IonicContact OD2-NZ 3.03Å; D456-K1040 PolarHBondContact OD2-NZ 2.99Å; L1031-K1040 VanDerWaalsContact CD2-O 3.3Å; L1031-K1040 WeakPolarHBondContact CD2-O 3.1Å; K1040-E1042 WeakPolarHBondContact CB-OE2 3.23Å; K1040-E1042 PolarHBondContact O-N 3.37Å; K1040-D1043 PolarHBondContact N-OD2 2.91Å; K1040-D1043 WeakPolarHBondContact O-CB 3.49Å; K1040-D1043 PolarHBondContact O-N 2.88Å; K1040-D1043 VanDerWaalsContact O-N 3.16Å |
| 1041 | L | 87.7 | Confident | 89.8 | Confident | 43 Ų | 43 | 36.4 Ų | 36.4 | 23% | 0.225 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -60.1 | -30.6 | 178.7 | -72.9 | 166.6 | 0 | 0 | 0 | 111.7 | P369 L570 T1028 L1031 D1043 I1044 | P369-L1041 HydrophobicContact CB-CD1 4.27Å; P369-L1041 HydrophobicContact CG-CD1 4.49Å; L570-L1041 HydrophobicContact CD1-CD2 4.31Å; L570-L1041 HydrophobicContact CD2-CD2 3.83Å; T1028-L1041 HydrophobicContact CG2-CD2 4.07Å; L1031-L1041 HydrophobicContact CD1-CD2 3.66Å; L1031-L1041 HydrophobicContact CD1-CG 4.11Å; L1041-D1043 VanDerWaalsContact C-N 3.25Å; L1041-D1043 PolarHBondContact O-N 2.91Å; L1041-I1044 WeakPolarHBondContact O-CB 3.43Å; L1041-I1044 PolarHBondContact O-N 2.96Å |
| 1042 | E | 88.8 | Confident | 90.1 | Very high | 119 Ų | 119 | 36.3 Ų | 36.3 | 56% | 0.556 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -66.1 | -26.4 | -180 | -57.7 | 82.1 | -178.7 | 0 | 0 | 113.3 | K1040 I1044 N1045 | K1040-E1042 WeakPolarHBondContact CB-OE2 3.23Å; K1040-E1042 PolarHBondContact O-N 3.37Å; E1042-I1044 PolarHBondContact O-N 3.15Å; E1042-N1045 VanDerWaalsContact O-CB 3.25Å; E1042-N1045 WeakPolarHBondContact O-CB 3.45Å; E1042-N1045 PolarHBondContact O-N 2.96Å |
| 1043 | D | 89.9 | Confident | 90.4 | Very high | 28 Ų | 28 | 36.9 Ų | 36.9 | 15% | 0.15 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -63 | -29.6 | 177.4 | -59 | -33.6 | 0 | 0 | 0 | 110.9 | L963 H965 L1038 Q1039 K1040 L1041 N1045 | L963-D1043 HydrophobicContact CD1-CB 4.37Å; H965-D1043 IonicContact CE1-OD1 2.81Å; H965-D1043 IonicContact NE2-OD1 3.19Å; L1038-D1043 HydrophobicContact CD1-CB 4.28Å; Q1039-D1043 PolarHBondContact N-OD2 3.09Å; K1040-D1043 PolarHBondContact N-OD2 2.91Å; K1040-D1043 WeakPolarHBondContact O-CB 3.49Å; K1040-D1043 PolarHBondContact O-N 2.88Å; K1040-D1043 VanDerWaalsContact O-N 3.16Å; L1041-D1043 VanDerWaalsContact C-N 3.25Å; L1041-D1043 PolarHBondContact O-N 2.91Å; D1043-N1045 VanDerWaalsContact C-N 3.29Å; D1043-N1045 PolarHBondContact O-N 3.18Å |
| 1044 | I | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -76 | -18.2 | 179.3 | -53 | 174.1 | 0 | 0 | 0 | 111.4 | L570 I1024 F1027 L1031 L1038 L1041 E1042 Y1046 M1047 R1048 | L570-I1044 HydrophobicContact CD1-CB 4.04Å; L570-I1044 HydrophobicContact CD1-CD1 4.15Å; L570-I1044 HydrophobicContact CD1-CG2 3.86Å; I1024-I1044 HydrophobicContact CG2-CG2 4.32Å; F1027-I1044 HydrophobicContact CB-CD1 4.17Å; F1027-I1044 HydrophobicContact CB-CG1 4.2Å; F1027-I1044 HydrophobicContact CB-CG2 4.41Å; L1031-I1044 HydrophobicContact CD1-CD1 4.37Å; L1031-I1044 HydrophobicContact CD2-CD1 4.28Å; L1031-I1044 HydrophobicContact CG-CD1 4.38Å; L1038-I1044 HydrophobicContact CD1-CD1 4.29Å; L1038-I1044 HydrophobicContact CD1-CG1 3.76Å; L1041-I1044 WeakPolarHBondContact O-CB 3.43Å; L1041-I1044 PolarHBondContact O-N 2.96Å; E1042-I1044 PolarHBondContact O-N 3.15Å; I1044-Y1046 PolarHBondContact O-N 2.9Å; I1044-Y1046 VanDerWaalsContact O-N 3.14Å; I1044-M1047 WeakPolarHBondContact O-CB 3.47Å; I1044-M1047 PolarHBondContact O-N 3.19Å; I1044-R1048 PolarHBondContact O-N 2.87Å |
| 1045 | N | 93.7 | Very high | 90.9 | Very high | 70 Ų | 70 | 45.3 Ų | 45.3 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.4 | -25.6 | 179.6 | -73.2 | -32.3 | 0 | 0 | 0 | 112.9 | E1042 D1043 M1047 R1048 K1049 | E1042-N1045 VanDerWaalsContact O-CB 3.25Å; E1042-N1045 WeakPolarHBondContact O-CB 3.45Å; E1042-N1045 PolarHBondContact O-N 2.96Å; D1043-N1045 VanDerWaalsContact C-N 3.29Å; D1043-N1045 PolarHBondContact O-N 3.18Å; N1045-M1047 VanDerWaalsContact C-N 3.32Å; N1045-M1047 PolarHBondContact O-N 3.14Å; N1045-R1048 PolarHBondContact O-N 3.27Å; N1045-R1048 PolarHBondContact OD1-NH1 3.02Å; N1045-K1049 WeakPolarHBondContact O-CB 3.17Å; N1045-K1049 PolarHBondContact O-N 3.27Å |
| 1046 | Y | 94 | Very high | 91.3 | Very high | 50 Ų | 50 | 49 Ų | 49 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.4 | -50.1 | 172 | -179 | -86.3 | 0 | 0 | 0 | 110.9 | F934 G937 L963 Y966 I1044 K1049 T1050 | F934-Y1046 PolarHBondContact O-OH 3.16Å; G937-Y1046 VanDerWaalsContact CA-CZ 3.43Å; G937-Y1046 VanDerWaalsContact CA-OH 3.27Å; G937-Y1046 WeakPolarHBondContact CA-OH 3.15Å; L963-Y1046 VanDerWaalsContact C-CG 3.48Å; L963-Y1046 WeakPolarHBondContact O-CB 3.28Å; Y966-Y1046 PolarHBondContact OH-OH 3.21Å; Y966-Y1046 VanDerWaalsContact OH-OH 3.12Å; I1044-Y1046 PolarHBondContact O-N 2.9Å; I1044-Y1046 VanDerWaalsContact O-N 3.14Å; Y1046-K1049 WeakPolarHBondContact O-CB 3.18Å; Y1046-K1049 PolarHBondContact O-N 3.01Å; Y1046-T1050 HydrophobicContact CD1-CG2 4.01Å; Y1046-T1050 HydrophobicContact CE1-CG2 3.41Å; Y1046-T1050 VanDerWaalsContact CE1-CG2 3.41Å; Y1046-T1050 HydrophobicContact CE2-CG2 4.25Å; Y1046-T1050 WeakPolarHBondContact O-CG2 3.28Å; Y1046-T1050 PolarHBondContact O-N 2.76Å; Y1046-T1050 PolarHBondContact O-OG1 3.01Å |
| 1047 | M | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -40.9 | -179.4 | 179.7 | 175.2 | -68.3 | 0 | 0 | 112.1 | L936 L963 F1023 F1027 I1044 N1045 K1049 T1050 L1051 | L936-M1047 HydrophobicContact CD2-CE 3.81Å; L963-M1047 HydrophobicContact CD2-CB 4.19Å; L963-M1047 HydrophobicContact CD2-CE 4.17Å; F1023-M1047 HydrophobicContact CB-CE 4.32Å; F1023-M1047 HydrophobicContact CB-SD 3.39Å; F1023-M1047 WeakPolarHBondContact CB-SD 3.34Å; F1027-M1047 HydrophobicContact CD1-CE 4.17Å; F1027-M1047 HydrophobicContact CD2-CE 3.67Å; F1027-M1047 HydrophobicContact CD2-SD 4.05Å; F1027-M1047 HydrophobicContact CE1-CE 3.85Å; F1027-M1047 HydrophobicContact CE2-CE 3.35Å; F1027-M1047 HydrophobicContact CE2-SD 4.25Å; F1027-M1047 HydrophobicContact CG-CE 4.07Å; F1027-M1047 HydrophobicContact CG-SD 4.42Å; F1027-M1047 HydrophobicContact CZ-CE 3.45Å; F1027-M1047 VanDerWaalsContact CZ-CE 3.45Å; I1044-M1047 WeakPolarHBondContact O-CB 3.47Å; I1044-M1047 PolarHBondContact O-N 3.19Å; N1045-M1047 VanDerWaalsContact C-N 3.32Å; N1045-M1047 PolarHBondContact O-N 3.14Å; M1047-K1049 VanDerWaalsContact C-N 3.27Å; M1047-K1049 PolarHBondContact O-N 3.16Å; M1047-T1050 WeakPolarHBondContact CA-OG1 3.42Å; M1047-T1050 PolarHBondContact O-N 2.95Å; M1047-T1050 PolarHBondContact O-OG1 2.86Å; M1047-L1051 HydrophobicContact CG-CD1 3.62Å; M1047-L1051 HydrophobicContact CG-CG 4.37Å; M1047-L1051 VanDerWaalsContact O-CB 3.31Å; M1047-L1051 WeakPolarHBondContact O-CB 3.45Å; M1047-L1051 WeakPolarHBondContact O-CG 3.44Å; M1047-L1051 PolarHBondContact O-N 2.93Å; M1047-L1051 HydrophobicContact SD-CD1 4.39Å |
| 1048 | R | 95.8 | Very high | 92.4 | Very high | 45 Ų | 45 | 51 Ų | 51 | 17% | 0.17 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.6 | -43.2 | 174.9 | -65.4 | 178.4 | 73.5 | -139.2 | -4.7 | 111.2 | D568 I1024 I1044 N1045 A1052 V1053 | D568-R1048 IonicContact OD1-CZ 2.73Å; D568-R1048 IonicContact OD1-NE 3.55Å; D568-R1048 PolarHBondContact OD1-NE 2.81Å; D568-R1048 IonicContact OD1-NH2 2.95Å; D568-R1048 PolarHBondContact OD1-NH2 2.6Å; D568-R1048 IonicContact OD2-CZ 2.8Å; D568-R1048 IonicContact OD2-NE 3.3Å; D568-R1048 PolarHBondContact OD2-NE 2.84Å; D568-R1048 IonicContact OD2-NH2 3.89Å; I1024-R1048 HydrophobicContact CD1-CG 3.85Å; I1024-R1048 HydrophobicContact CG1-CG 4.2Å; I1044-R1048 PolarHBondContact O-N 2.87Å; N1045-R1048 PolarHBondContact O-N 3.27Å; N1045-R1048 PolarHBondContact OD1-NH1 3.02Å; R1048-A1052 PolarHBondContact O-N 2.83Å; R1048-A1052 VanDerWaalsContact O-N 3.16Å; R1048-V1053 HydrophobicContact CB-CG2 3.97Å; R1048-V1053 PolarHBondContact O-N 3.18Å |
| 1049 | K | 95.2 | Very high | 92.7 | Very high | 148 Ų | 148 | 54.5 Ų | 54.5 | 64% | 0.643 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.3 | -48.6 | 177 | 179.5 | -177.2 | 176.5 | -179.5 | 0 | 112.5 | N1045 Y1046 M1047 L1051 A1052 | N1045-K1049 WeakPolarHBondContact O-CB 3.17Å; N1045-K1049 PolarHBondContact O-N 3.27Å; Y1046-K1049 WeakPolarHBondContact O-CB 3.18Å; Y1046-K1049 PolarHBondContact O-N 3.01Å; M1047-K1049 VanDerWaalsContact C-N 3.27Å; M1047-K1049 PolarHBondContact O-N 3.16Å; K1049-L1051 VanDerWaalsContact C-N 3.3Å; K1049-L1051 PolarHBondContact O-N 2.96Å; K1049-A1052 PolarHBondContact O-N 2.98Å |
| 1050 | T | 95.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.4 | -32 | -177 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | F934 V935 Y1013 Y1046 M1047 A1052 | F934-T1050 WeakPolarHBondContact CE1-O 3.43Å; F934-T1050 HydrophobicContact CE2-CG2 4.08Å; F934-T1050 HydrophobicContact CZ-CG2 4.02Å; V935-T1050 PolarHBondContact O-OG1 2.68Å; V935-T1050 VanDerWaalsContact O-OG1 3.06Å; Y1013-T1050 VanDerWaalsContact CE2-O 3.24Å; Y1013-T1050 WeakPolarHBondContact CE2-O 3.35Å; Y1013-T1050 PolarHBondContact OH-O 2.77Å; Y1046-T1050 HydrophobicContact CD1-CG2 4.01Å; Y1046-T1050 HydrophobicContact CE1-CG2 3.41Å; Y1046-T1050 VanDerWaalsContact CE1-CG2 3.41Å; Y1046-T1050 HydrophobicContact CE2-CG2 4.25Å; Y1046-T1050 WeakPolarHBondContact O-CG2 3.28Å; Y1046-T1050 PolarHBondContact O-N 2.76Å; Y1046-T1050 PolarHBondContact O-OG1 3.01Å; M1047-T1050 WeakPolarHBondContact CA-OG1 3.42Å; M1047-T1050 PolarHBondContact O-N 2.95Å; M1047-T1050 PolarHBondContact O-OG1 2.86Å; T1050-A1052 VanDerWaalsContact C-N 3.27Å |
| 1051 | L | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -1.4 | 171.7 | -68.9 | 170.2 | 0 | 0 | 0 | 113.4 | V935 L1016 H1017 A1020 F1023 M1047 K1049 V1053 | V935-L1051 HydrophobicContact CB-CD2 4.4Å; V935-L1051 HydrophobicContact CG1-CD1 4.09Å; V935-L1051 HydrophobicContact CG1-CD2 3.75Å; V935-L1051 HydrophobicContact CG1-CG 3.86Å; V935-L1051 HydrophobicContact CG2-CD2 3.7Å; V935-L1051 HydrophobicContact CG2-CG 4.41Å; L1016-L1051 HydrophobicContact CB-CD2 3.97Å; H1017-L1051 PolarHBondContact ND1-O 3.09Å; A1020-L1051 HydrophobicContact CB-CB 4.08Å; A1020-L1051 HydrophobicContact CB-CD1 3.73Å; A1020-L1051 HydrophobicContact CB-CG 4.42Å; F1023-L1051 HydrophobicContact CD2-CD1 4.27Å; M1047-L1051 HydrophobicContact CG-CD1 3.62Å; M1047-L1051 HydrophobicContact CG-CG 4.37Å; M1047-L1051 VanDerWaalsContact O-CB 3.31Å; M1047-L1051 WeakPolarHBondContact O-CB 3.45Å; M1047-L1051 WeakPolarHBondContact O-CG 3.44Å; M1047-L1051 PolarHBondContact O-N 2.93Å; M1047-L1051 HydrophobicContact SD-CD1 4.39Å; K1049-L1051 VanDerWaalsContact C-N 3.3Å; K1049-L1051 PolarHBondContact O-N 2.96Å; L1051-V1053 VanDerWaalsContact C-N 3.29Å; L1051-V1053 HydrophobicContact CB-CG1 4.06Å; L1051-V1053 PolarHBondContact O-N 2.83Å |
| 1052 | A | 96.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 49.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1017 R1048 K1049 T1050 D1054 E1055 A1060 Y1063 | H1017-A1052 PolarHBondContact CE1-O 2.78Å; R1048-A1052 PolarHBondContact O-N 2.83Å; R1048-A1052 VanDerWaalsContact O-N 3.16Å; K1049-A1052 PolarHBondContact O-N 2.98Å; T1050-A1052 VanDerWaalsContact C-N 3.27Å; A1052-D1054 PolarHBondContact O-N 2.93Å; A1052-D1054 VanDerWaalsContact O-N 3.09Å; A1052-E1055 HydrophobicContact CB-CB 4.04Å; A1052-E1055 HydrophobicContact CB-CG 3.95Å; A1052-E1055 WeakPolarHBondContact O-CB 3.39Å; A1052-E1055 PolarHBondContact O-N 2.89Å; A1052-A1060 HydrophobicContact CB-CB 3.89Å; A1052-Y1063 HydrophobicContact CB-CD1 4.15Å |
| 1053 | V | 94 | Very high | 94.7 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.5 | -168.9 | -63.9 | 0 | 0 | 0 | 0 | 115.5 | D568 A1020 I1024 R1048 L1051 | D568-V1053 HydrophobicContact CB-CB 4.11Å; D568-V1053 HydrophobicContact CB-CG1 4.32Å; D568-V1053 HydrophobicContact CB-CG2 4.24Å; A1020-V1053 HydrophobicContact CB-CG1 3.71Å; I1024-V1053 HydrophobicContact CD1-CG1 3.82Å; R1048-V1053 HydrophobicContact CB-CG2 3.97Å; R1048-V1053 PolarHBondContact O-N 3.18Å; L1051-V1053 VanDerWaalsContact C-N 3.29Å; L1051-V1053 HydrophobicContact CB-CG1 4.06Å; L1051-V1053 PolarHBondContact O-N 2.83Å |
| 1054 | D | 89.9 | Confident | 95 | Very high | 118 Ų | 118 | 52 Ų | 52 | 63% | 0.631 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -4.4 | 178.5 | -59.6 | -54.8 | 0 | 0 | 0 | 112.6 | A1052 | A1052-D1054 PolarHBondContact O-N 2.93Å; A1052-D1054 VanDerWaalsContact O-N 3.09Å |
| 1055 | E | 92.8 | Very high | 94.9 | Very high | 105 Ų | 105 | 54.5 Ų | 54.5 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -102.3 | 159.9 | -173.5 | -59.2 | -64.6 | 169 | 0 | 0 | 112.3 | H1017 A1052 D1059 A1060 | H1017-E1055 PolarHBondContact CE1-O 2.9Å; A1052-E1055 HydrophobicContact CB-CB 4.04Å; A1052-E1055 HydrophobicContact CB-CG 3.95Å; A1052-E1055 WeakPolarHBondContact O-CB 3.39Å; A1052-E1055 PolarHBondContact O-N 2.89Å; E1055-D1059 HydrophobicContact CB-CB 4.03Å; E1055-A1060 HydrophobicContact CB-CB 4.42Å |
| 1056 | T | 93.4 | Very high | 94.9 | Very high | 79 Ų | 79 | 55.3 Ų | 55.3 | 49% | 0.485 | 28% | 0.276 | S | S | . | . | trans | -79.5 | 160.4 | 172 | 71.9 | 0 | 0 | 0 | 0 | 111.6 | P1058 D1059 A1060 | T1056-P1058 WeakPolarHBondContact OG1-CD 3.37Å; T1056-D1059 PolarHBondContact O-N 2.94Å; T1056-D1059 PolarHBondContact OG1-OD2 3.03Å; T1056-A1060 WeakPolarHBondContact O-CB 3.44Å; T1056-A1060 PolarHBondContact O-N 2.87Å | ||
| 1057 | D | 95.2 | Very high | 94.8 | Very high | 51 Ų | 51 | 54.3 Ų | 54.3 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -46 | -49.8 | 176.9 | -84.8 | 2.9 | 0 | 0 | 0 | 113.5 | L1014 H1017 R1018 D1059 L1061 | L1014-D1057 HydrophobicContact CD2-CB 4.12Å; L1014-D1057 WeakPolarHBondContact CD2-O 3.44Å; H1017-D1057 IonicContact CD2-OD1 3.44Å; H1017-D1057 PolarHBondContact CD2-OD1 2.88Å; H1017-D1057 VanDerWaalsContact CD2-OD1 3.25Å; H1017-D1057 IonicContact NE2-OD1 2.77Å; H1017-D1057 PolarHBondContact NE2-OD1 2.86Å; R1018-D1057 IonicContact CZ-OD2 2.84Å; R1018-D1057 IonicContact NE-OD1 3.39Å; R1018-D1057 PolarHBondContact NE-OD1 2.88Å; R1018-D1057 IonicContact NE-OD2 3.77Å; R1018-D1057 PolarHBondContact NE-OD2 2.91Å; R1018-D1057 IonicContact NH2-OD2 2.74Å; R1018-D1057 PolarHBondContact NH2-OD2 2.81Å; D1057-D1059 PolarHBondContact O-N 3.31Å; D1057-L1061 VanDerWaalsContact O-CB 3.32Å; D1057-L1061 WeakPolarHBondContact O-CB 3.4Å; D1057-L1061 PolarHBondContact O-N 2.79Å |
| 1058 | P | 96.6 | Very high | 94.6 | Very high | 91 Ų | 91 | 54.3 Ų | 54.3 | 59% | 0.591 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.9 | -40.7 | 176 | -25.8 | 34.1 | 0 | 0 | 0 | 114.6 | T1056 K1062 | T1056-P1058 WeakPolarHBondContact OG1-CD 3.37Å; P1058-K1062 WeakPolarHBondContact O-CB 3.26Å; P1058-K1062 PolarHBondContact O-N 3.48Å |
| 1059 | D | 96.7 | Very high | 94.2 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.3 | -40.9 | -177.2 | -64.9 | -46.9 | 0 | 0 | 0 | 111.1 | E1055 T1056 D1057 K1062 Y1063 | E1055-D1059 HydrophobicContact CB-CB 4.03Å; T1056-D1059 PolarHBondContact O-N 2.94Å; T1056-D1059 PolarHBondContact OG1-OD2 3.03Å; D1057-D1059 PolarHBondContact O-N 3.31Å; D1059-K1062 WeakPolarHBondContact O-CB 3.34Å; D1059-K1062 PolarHBondContact O-N 3.16Å; D1059-Y1063 WeakPolarHBondContact O-CB 3.18Å; D1059-Y1063 PolarHBondContact O-N 2.95Å |
| 1060 | A | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y1013 A1052 E1055 T1056 K1062 Y1063 F1064 | Y1013-A1060 HydrophobicContact CE1-CB 4.07Å; Y1013-A1060 WeakPolarHBondContact CE1-O 3.24Å; A1052-A1060 HydrophobicContact CB-CB 3.89Å; E1055-A1060 HydrophobicContact CB-CB 4.42Å; T1056-A1060 WeakPolarHBondContact O-CB 3.44Å; T1056-A1060 PolarHBondContact O-N 2.87Å; A1060-K1062 VanDerWaalsContact C-N 3.35Å; A1060-K1062 PolarHBondContact O-N 2.79Å; A1060-Y1063 WeakPolarHBondContact O-CB 3.35Å; A1060-Y1063 PolarHBondContact O-N 2.93Å; A1060-F1064 PolarHBondContact O-N 3.36Å |
| 1061 | L | 97.1 | Very high | 93.2 | Very high | 49 Ų | 49 | 53 Ų | 53 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 176 | -179.9 | 61.8 | 0 | 0 | 0 | 111.7 | L1014 D1057 F1064 N1065 | L1014-L1061 HydrophobicContact CD1-CB 4.39Å; L1014-L1061 HydrophobicContact CD1-CD1 4.37Å; L1014-L1061 HydrophobicContact CD1-CD2 4.17Å; L1014-L1061 HydrophobicContact CD2-CB 4.09Å; L1014-L1061 HydrophobicContact CG-CB 4.35Å; L1014-L1061 HydrophobicContact CG-CD1 4.36Å; D1057-L1061 VanDerWaalsContact O-CB 3.32Å; D1057-L1061 WeakPolarHBondContact O-CB 3.4Å; D1057-L1061 PolarHBondContact O-N 2.79Å; L1061-F1064 PolarHBondContact O-N 3Å; L1061-N1065 WeakPolarHBondContact O-CB 3.25Å; L1061-N1065 VanDerWaalsContact O-CG 3.27Å; L1061-N1065 PolarHBondContact O-N 3Å; L1061-N1065 PolarHBondContact O-ND2 2.88Å |
| 1062 | K | 96.3 | Very high | 92.2 | Very high | 128 Ų | 128 | 55.2 Ų | 55.2 | 56% | 0.557 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.7 | -48.4 | 174.9 | -178.4 | -174.4 | 173.4 | -169.9 | 0 | 110.8 | P1058 D1059 A1060 F1064 N1065 E1066 | P1058-K1062 WeakPolarHBondContact O-CB 3.26Å; P1058-K1062 PolarHBondContact O-N 3.48Å; D1059-K1062 WeakPolarHBondContact O-CB 3.34Å; D1059-K1062 PolarHBondContact O-N 3.16Å; A1060-K1062 VanDerWaalsContact C-N 3.35Å; A1060-K1062 PolarHBondContact O-N 2.79Å; K1062-F1064 VanDerWaalsContact C-N 3.35Å; K1062-F1064 PolarHBondContact O-N 2.79Å; K1062-N1065 PolarHBondContact O-N 2.89Å; K1062-E1066 WeakPolarHBondContact CE-OE1 3.35Å; K1062-E1066 WeakPolarHBondContact O-CG 3.21Å; K1062-E1066 PolarHBondContact O-N 2.93Å |
| 1063 | Y | 95 | Very high | 91.4 | Very high | 52 Ų | 52 | 62 Ų | 62 | 20% | 0.204 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56 | -48.3 | 175.5 | 166.9 | -106.5 | 0 | 0 | 0 | 111.6 | F934 A1052 D1059 A1060 N1065 E1066 Q1067 | F934-Y1063 HydrophobicContact CE1-CE1 4.37Å; F934-Y1063 AromaticContact CZ-CE1 3.78Å; F934-Y1063 HydrophobicContact CZ-CE1 3.78Å; A1052-Y1063 HydrophobicContact CB-CD1 4.15Å; D1059-Y1063 WeakPolarHBondContact O-CB 3.18Å; D1059-Y1063 PolarHBondContact O-N 2.95Å; A1060-Y1063 WeakPolarHBondContact O-CB 3.35Å; A1060-Y1063 PolarHBondContact O-N 2.93Å; Y1063-N1065 PolarHBondContact O-N 2.85Å; Y1063-E1066 WeakPolarHBondContact O-CB 3.41Å; Y1063-E1066 PolarHBondContact O-N 2.84Å; Y1063-Q1067 HydrophobicContact CE1-CG 4.39Å; Y1063-Q1067 HydrophobicContact CE2-CG 4.07Å; Y1063-Q1067 WeakPolarHBondContact O-CG 3.29Å; Y1063-Q1067 PolarHBondContact O-N 3.02Å; Y1063-Q1067 VanDerWaalsContact O-N 3.13Å |
| 1064 | F | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.7 | 176.4 | -102.3 | 0 | 0 | 0 | 112.3 | V931 F934 C1009 Y1013 A1060 L1061 K1062 E1066 Q1067 L1068 | V931-F1064 HydrophobicContact CG2-CE2 4.21Å; V931-F1064 HydrophobicContact CG2-CZ 3.77Å; F934-F1064 AromaticContact CD1-CD2 3.8Å; F934-F1064 HydrophobicContact CD1-CD2 3.8Å; F934-F1064 AromaticContact CD1-CE2 3.87Å; F934-F1064 HydrophobicContact CD1-CE2 3.87Å; F934-F1064 AromaticContact CE1-CD2 3.77Å; F934-F1064 HydrophobicContact CE1-CD2 3.77Å; F934-F1064 HydrophobicContact CE1-CE2 4.32Å; F934-F1064 HydrophobicContact CG-CE2 4.46Å; C1009-F1064 HydrophobicContact CB-CE1 3.83Å; C1009-F1064 HydrophobicContact CB-CZ 4Å; Y1013-F1064 HydrophobicContact CD1-CB 3.5Å; Y1013-F1064 HydrophobicContact CD1-CD1 4.31Å; Y1013-F1064 HydrophobicContact CD1-CD2 4.24Å; Y1013-F1064 AromaticContact CD1-CG 3.76Å; Y1013-F1064 HydrophobicContact CD1-CG 3.76Å; Y1013-F1064 HydrophobicContact CD2-CB 4.17Å; Y1013-F1064 AromaticContact CD2-CD2 3.48Å; Y1013-F1064 HydrophobicContact CD2-CD2 3.48Å; Y1013-F1064 VanDerWaalsContact CD2-CD2 3.48Å; Y1013-F1064 HydrophobicContact CD2-CE2 4.07Å; Y1013-F1064 AromaticContact CD2-CG 3.88Å; Y1013-F1064 HydrophobicContact CD2-CG 3.88Å; Y1013-F1064 HydrophobicContact CE1-CB 3.57Å; Y1013-F1064 HydrophobicContact CE1-CG 4.25Å; Y1013-F1064 HydrophobicContact CE2-CB 4.22Å; Y1013-F1064 AromaticContact CE2-CD2 3.97Å; Y1013-F1064 HydrophobicContact CE2-CD2 3.97Å; Y1013-F1064 HydrophobicContact CE2-CG 4.36Å; Y1013-F1064 HydrophobicContact CG-CB 3.81Å; Y1013-F1064 HydrophobicContact CG-CD1 4.09Å; Y1013-F1064 AromaticContact CG-CD2 3.62Å; Y1013-F1064 HydrophobicContact CG-CD2 3.62Å; Y1013-F1064 HydrophobicContact CG-CE2 4.23Å; Y1013-F1064 AromaticContact CG-CG 3.54Å; Y1013-F1064 HydrophobicContact CG-CG 3.54Å; A1060-F1064 PolarHBondContact O-N 3.36Å; L1061-F1064 PolarHBondContact O-N 3Å; K1062-F1064 VanDerWaalsContact C-N 3.35Å; K1062-F1064 PolarHBondContact O-N 2.79Å; F1064-E1066 VanDerWaalsContact C-N 3.27Å; F1064-E1066 PolarHBondContact O-N 2.89Å; F1064-Q1067 CarbonylContact O-C 3.56Å; F1064-Q1067 WeakPolarHBondContact O-CA 3.22Å; F1064-Q1067 PolarHBondContact O-N 2.86Å; F1064-L1068 HydrophobicContact CE1-CB 4.38Å; F1064-L1068 HydrophobicContact CE1-CD2 4.11Å; F1064-L1068 WeakPolarHBondContact O-CB 3.5Å; F1064-L1068 PolarHBondContact O-N 2.69Å |
| 1065 | N | 92.8 | Very high | 89.6 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61 | -36.1 | 177.7 | -76.4 | -29.6 | 0 | 0 | 0 | 112.2 | L1061 K1062 Y1063 L1068 N1069 | L1061-N1065 WeakPolarHBondContact O-CB 3.25Å; L1061-N1065 VanDerWaalsContact O-CG 3.27Å; L1061-N1065 PolarHBondContact O-N 3Å; L1061-N1065 PolarHBondContact O-ND2 2.88Å; K1062-N1065 PolarHBondContact O-N 2.89Å; Y1063-N1065 PolarHBondContact O-N 2.85Å; N1065-L1068 PolarHBondContact O-N 2.86Å; N1065-N1069 VanDerWaalsContact O-CB 3.32Å; N1065-N1069 WeakPolarHBondContact O-CB 3.47Å; N1065-N1069 PolarHBondContact O-N 3.46Å; N1065-N1069 PolarHBondContact O-ND2 2.92Å |
| 1066 | E | 93 | Very high | 88.1 | Confident | 87 Ų | 87 | 59 Ų | 59 | 41% | 0.407 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 172 | -70.4 | 174.8 | -170 | 0 | 0 | 112.1 | K1062 Y1063 F1064 K1070 | K1062-E1066 WeakPolarHBondContact CE-OE1 3.35Å; K1062-E1066 WeakPolarHBondContact O-CG 3.21Å; K1062-E1066 PolarHBondContact O-N 2.93Å; Y1063-E1066 WeakPolarHBondContact O-CB 3.41Å; Y1063-E1066 PolarHBondContact O-N 2.84Å; F1064-E1066 VanDerWaalsContact C-N 3.27Å; F1064-E1066 PolarHBondContact O-N 2.89Å; E1066-K1070 VanDerWaalsContact O-CG 3.3Å; E1066-K1070 WeakPolarHBondContact O-CG 3.18Å; E1066-K1070 PolarHBondContact O-N 2.99Å |
| 1067 | Q | 92.5 | Very high | 86.8 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.5 | -41 | 175 | -57.8 | -51.8 | -47.5 | 0 | 0 | 112 | F934 P978 Y1063 F1064 N1069 K1070 A1071 | F934-Q1067 HydrophobicContact CE2-CB 3.94Å; F934-Q1067 HydrophobicContact CE2-CG 3.78Å; F934-Q1067 HydrophobicContact CZ-CB 4.17Å; F934-Q1067 HydrophobicContact CZ-CG 3.8Å; P978-Q1067 HydrophobicContact CB-CB 4.28Å; P978-Q1067 HydrophobicContact CG-CB 4.03Å; P978-Q1067 WeakPolarHBondContact CG-O 3.43Å; Y1063-Q1067 HydrophobicContact CE1-CG 4.39Å; Y1063-Q1067 HydrophobicContact CE2-CG 4.07Å; Y1063-Q1067 WeakPolarHBondContact O-CG 3.29Å; Y1063-Q1067 PolarHBondContact O-N 3.02Å; Y1063-Q1067 VanDerWaalsContact O-N 3.13Å; F1064-Q1067 CarbonylContact O-C 3.56Å; F1064-Q1067 WeakPolarHBondContact O-CA 3.22Å; F1064-Q1067 PolarHBondContact O-N 2.86Å; Q1067-N1069 VanDerWaalsContact C-N 3.34Å; Q1067-N1069 PolarHBondContact O-N 2.92Å; Q1067-K1070 PolarHBondContact O-N 2.78Å; Q1067-A1071 PolarHBondContact O-N 3.37Å |
| 1068 | L | 89.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 174.7 | 175.6 | 63.7 | 0 | 0 | 0 | 111 | F979 L981 Q1006 C1009 F1064 N1065 A1071 Y1072 | F979-L1068 HydrophobicContact CE2-CD1 4.12Å; F979-L1068 HydrophobicContact CZ-CB 4.23Å; F979-L1068 HydrophobicContact CZ-CD1 3.53Å; F979-L1068 HydrophobicContact CZ-CG 4.46Å; L981-L1068 HydrophobicContact CD2-CD1 4.29Å; Q1006-L1068 HydrophobicContact CB-CD2 4.05Å; Q1006-L1068 HydrophobicContact CG-CD2 3.96Å; C1009-L1068 HydrophobicContact CB-CD2 4.39Å; F1064-L1068 HydrophobicContact CE1-CB 4.38Å; F1064-L1068 HydrophobicContact CE1-CD2 4.11Å; F1064-L1068 WeakPolarHBondContact O-CB 3.5Å; F1064-L1068 PolarHBondContact O-N 2.69Å; N1065-L1068 PolarHBondContact O-N 2.86Å; L1068-A1071 PolarHBondContact O-N 2.8Å; L1068-Y1072 VanDerWaalsContact O-CB 3.23Å; L1068-Y1072 WeakPolarHBondContact O-CB 3.29Å; L1068-Y1072 PolarHBondContact O-N 2.81Å |
| 1069 | N | 87.5 | Confident | 84.2 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 34% | 0.342 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64 | -39.3 | 174.8 | -72.3 | -22.2 | 0 | 0 | 0 | 112 | Q1006 N1065 Q1067 Y1072 E1073 | Q1006-N1069 PolarHBondContact NE2-OD1 2.99Å; N1065-N1069 VanDerWaalsContact O-CB 3.32Å; N1065-N1069 WeakPolarHBondContact O-CB 3.47Å; N1065-N1069 PolarHBondContact O-N 3.46Å; N1065-N1069 PolarHBondContact O-ND2 2.92Å; Q1067-N1069 VanDerWaalsContact C-N 3.34Å; Q1067-N1069 PolarHBondContact O-N 2.92Å; N1069-Y1072 WeakPolarHBondContact O-CB 3.5Å; N1069-Y1072 PolarHBondContact O-N 3.34Å; N1069-E1073 WeakPolarHBondContact O-CB 3.33Å; N1069-E1073 WeakPolarHBondContact O-CG 3.46Å; N1069-E1073 PolarHBondContact O-N 2.79Å |
| 1070 | K | 86.8 | Confident | 82.8 | Confident | 105 Ų | 105 | 52.7 Ų | 52.7 | 46% | 0.457 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 174.1 | -74.8 | 170.7 | -174.8 | 168.9 | 0 | 112.9 | P978 E1066 Q1067 Y1072 E1073 G1074 | P978-K1070 HydrophobicContact CG-CB 4.43Å; E1066-K1070 VanDerWaalsContact O-CG 3.3Å; E1066-K1070 WeakPolarHBondContact O-CG 3.18Å; E1066-K1070 PolarHBondContact O-N 2.99Å; Q1067-K1070 PolarHBondContact O-N 2.78Å; K1070-Y1072 VanDerWaalsContact C-N 3.27Å; K1070-Y1072 PolarHBondContact O-N 3.48Å; K1070-E1073 PolarHBondContact O-N 2.79Å; K1070-G1074 PolarHBondContact O-N 3.43Å |
| 1071 | A | 82.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | P978 F979 Q1067 L1068 G1074 A1075 | P978-A1071 HydrophobicContact CG-CB 4.03Å; F979-A1071 HydrophobicContact CD1-CB 4.12Å; F979-A1071 HydrophobicContact CD2-CB 4.18Å; F979-A1071 HydrophobicContact CE1-CB 3.83Å; F979-A1071 HydrophobicContact CE2-CB 3.89Å; F979-A1071 HydrophobicContact CG-CB 4.29Å; F979-A1071 HydrophobicContact CZ-CB 3.72Å; Q1067-A1071 PolarHBondContact O-N 3.37Å; L1068-A1071 PolarHBondContact O-N 2.8Å; A1071-G1074 CarbonylContact O-C 3.41Å; A1071-G1074 PolarHBondContact O-N 3.43Å; A1071-A1075 PolarHBondContact O-N 3.19Å |
| 1072 | Y | 77 | Confident | 80.4 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 18% | 0.176 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -47 | 176.5 | 162 | -98.1 | 0 | 0 | 0 | 113.4 | L986 K997 F1002 L1068 N1069 K1070 G1074 A1075 | L986-Y1072 HydrophobicContact CD1-CD2 4.1Å; L986-Y1072 HydrophobicContact CD1-CE2 4.19Å; K997-Y1072 HydrophobicContact CB-CE2 4.38Å; K997-Y1072 WeakPolarHBondContact CB-OH 3.45Å; K997-Y1072 HydrophobicContact CD-CE2 4.17Å; K997-Y1072 WeakPolarHBondContact CD-OH 3.29Å; K997-Y1072 HydrophobicContact CG-CE2 3.81Å; K997-Y1072 WeakPolarHBondContact CG-OH 3.21Å; F1002-Y1072 AromaticContact CE1-CD2 3.95Å; F1002-Y1072 HydrophobicContact CE1-CD2 3.95Å; F1002-Y1072 AromaticContact CE1-CE2 3.89Å; F1002-Y1072 HydrophobicContact CE1-CE2 3.89Å; F1002-Y1072 AromaticContact CZ-CD2 3.6Å; F1002-Y1072 HydrophobicContact CZ-CD2 3.6Å; F1002-Y1072 AromaticContact CZ-CE2 3.99Å; F1002-Y1072 HydrophobicContact CZ-CE2 3.99Å; F1002-Y1072 HydrophobicContact CZ-CG 4.29Å; L1068-Y1072 VanDerWaalsContact O-CB 3.23Å; L1068-Y1072 WeakPolarHBondContact O-CB 3.29Å; L1068-Y1072 PolarHBondContact O-N 2.81Å; N1069-Y1072 WeakPolarHBondContact O-CB 3.5Å; N1069-Y1072 PolarHBondContact O-N 3.34Å; K1070-Y1072 VanDerWaalsContact C-N 3.27Å; K1070-Y1072 PolarHBondContact O-N 3.48Å; Y1072-G1074 PolarHBondContact O-N 3.07Å; Y1072-A1075 WeakPolarHBondContact O-CB 3.39Å; Y1072-A1075 PolarHBondContact O-N 3.25Å; Y1072-A1075 VanDerWaalsContact O-N 3.15Å |
| 1073 | E | 80 | Confident | 79.1 | Confident | 151 Ų | 151 | 52.5 Ų | 52.5 | 71% | 0.706 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64 | -32.3 | 176 | -74.8 | 175.1 | -179.3 | 0 | 0 | 111.6 | N1069 K1070 A1075 | N1069-E1073 WeakPolarHBondContact O-CB 3.33Å; N1069-E1073 WeakPolarHBondContact O-CG 3.46Å; N1069-E1073 PolarHBondContact O-N 2.79Å; K1070-E1073 PolarHBondContact O-N 2.79Å; E1073-A1075 VanDerWaalsContact C-N 3.33Å; E1073-A1075 PolarHBondContact O-N 2.9Å |
| 1074 | G | 75.4 | Confident | 78 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K1070 A1071 Y1072 W1076 T1077 T1078 | K1070-G1074 PolarHBondContact O-N 3.43Å; A1071-G1074 CarbonylContact O-C 3.41Å; A1071-G1074 PolarHBondContact O-N 3.43Å; Y1072-G1074 PolarHBondContact O-N 3.07Å; G1074-W1076 PolarHBondContact O-N 2.91Å; G1074-W1076 VanDerWaalsContact O-N 3.09Å; G1074-T1077 WeakPolarHBondContact O-CA 3.4Å; G1074-T1077 WeakPolarHBondContact O-CB 3.42Å; G1074-T1077 PolarHBondContact O-N 2.84Å; G1074-T1077 PolarHBondContact O-OG1 2.95Å; G1074-T1078 PolarHBondContact O-N 2.85Å; G1074-T1078 PolarHBondContact O-OG1 3.01Å |
| 1075 | A | 69.8 | Low | 76.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53.6 | -37.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | L981 E983 A1071 Y1072 E1073 K1079 | L981-A1075 WeakPolarHBondContact O-CB 3.48Å; E983-A1075 HydrophobicContact CG-CB 4.45Å; A1071-A1075 PolarHBondContact O-N 3.19Å; Y1072-A1075 WeakPolarHBondContact O-CB 3.39Å; Y1072-A1075 PolarHBondContact O-N 3.25Å; Y1072-A1075 VanDerWaalsContact O-N 3.15Å; E1073-A1075 VanDerWaalsContact C-N 3.33Å; E1073-A1075 PolarHBondContact O-N 2.9Å; A1075-K1079 PolarHBondContact O-N 3.1Å |
| 1076 | W | 60.9 | Low | 75.4 | Confident | 173 Ų | 173 | 56 Ų | 56 | 66% | 0.655 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -69.6 | -38.4 | 176.9 | -171.7 | 80.7 | 0 | 0 | 0 | 112.4 | G1074 K1079 I1080 | G1074-W1076 PolarHBondContact O-N 2.91Å; G1074-W1076 VanDerWaalsContact O-N 3.09Å; W1076-K1079 PolarHBondContact O-N 2.99Å; W1076-I1080 HydrophobicContact CD2-CD1 3.77Å; W1076-I1080 HydrophobicContact CD2-CG1 4.49Å; W1076-I1080 HydrophobicContact CE3-CD1 3.48Å; W1076-I1080 VanDerWaalsContact CE3-CD1 3.48Å; W1076-I1080 HydrophobicContact CH2-CD1 3.32Å; W1076-I1080 HydrophobicContact CZ2-CD1 3.59Å; W1076-I1080 HydrophobicContact CZ3-CD1 3.25Å; W1076-I1080 WeakPolarHBondContact O-CG1 3.49Å; W1076-I1080 PolarHBondContact O-N 2.96Å; W1076-I1080 VanDerWaalsContact O-N 3.1Å |
| 1077 | T | 66.1 | Low | 74.1 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 176.4 | 66.6 | 0 | 0 | 0 | 0 | 111.2 | G1074 K1079 I1080 D1081 | G1074-T1077 WeakPolarHBondContact O-CA 3.4Å; G1074-T1077 WeakPolarHBondContact O-CB 3.42Å; G1074-T1077 PolarHBondContact O-N 2.84Å; G1074-T1077 PolarHBondContact O-OG1 2.95Å; T1077-K1079 VanDerWaalsContact C-N 3.32Å; T1077-K1079 PolarHBondContact O-N 2.99Å; T1077-I1080 PolarHBondContact O-N 3.49Å; T1077-D1081 PolarHBondContact O-N 3.01Å |
| 1078 | T | 68.2 | Low | 72.9 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 174.3 | -51 | 0 | 0 | 0 | 0 | 111.6 | V980 T982 G1074 I1080 D1081 W1082 | V980-T1078 HydrophobicContact CG1-CG2 4.16Å; V980-T1078 HydrophobicContact CG2-CG2 4.11Å; T982-T1078 HydrophobicContact CG2-CG2 3.8Å; G1074-T1078 PolarHBondContact O-N 2.85Å; G1074-T1078 PolarHBondContact O-OG1 3.01Å; T1078-I1080 VanDerWaalsContact C-N 3.31Å; T1078-I1080 PolarHBondContact O-N 3.09Å; T1078-D1081 PolarHBondContact O-N 3.17Å; T1078-W1082 WeakPolarHBondContact O-CB 3.44Å; T1078-W1082 VanDerWaalsContact O-CG 3.26Å; T1078-W1082 PolarHBondContact O-N 3.19Å |
| 1079 | K | 68.5 | Low | 71.5 | Confident | 49 Ų | 49 | 66.6 Ų | 66.6 | 21% | 0.213 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 176.4 | -171.9 | 176.9 | -178.3 | 178.6 | 0 | 112.7 | G897 A1075 W1076 T1077 W1082 F1083 | G897-K1079 VanDerWaalsContact O-CE 3.26Å; G897-K1079 WeakPolarHBondContact O-CE 3.39Å; G897-K1079 PolarHBondContact O-NZ 3.46Å; A1075-K1079 PolarHBondContact O-N 3.1Å; W1076-K1079 PolarHBondContact O-N 2.99Å; T1077-K1079 VanDerWaalsContact C-N 3.32Å; T1077-K1079 PolarHBondContact O-N 2.99Å; K1079-W1082 WeakPolarHBondContact O-CB 3.47Å; K1079-W1082 PolarHBondContact O-N 2.87Å; K1079-F1083 PolarHBondContact O-N 3.38Å |
| 1080 | I | 67.2 | Low | 69.8 | Low | 54 Ų | 54 | 71.2 Ų | 71.2 | 28% | 0.277 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 174.7 | -71.2 | 172.2 | 0 | 0 | 0 | 110.9 | W1076 T1077 T1078 W1082 F1083 F1084 | W1076-I1080 HydrophobicContact CD2-CD1 3.77Å; W1076-I1080 HydrophobicContact CD2-CG1 4.49Å; W1076-I1080 HydrophobicContact CE3-CD1 3.48Å; W1076-I1080 VanDerWaalsContact CE3-CD1 3.48Å; W1076-I1080 HydrophobicContact CH2-CD1 3.32Å; W1076-I1080 HydrophobicContact CZ2-CD1 3.59Å; W1076-I1080 HydrophobicContact CZ3-CD1 3.25Å; W1076-I1080 WeakPolarHBondContact O-CG1 3.49Å; W1076-I1080 PolarHBondContact O-N 2.96Å; W1076-I1080 VanDerWaalsContact O-N 3.1Å; T1077-I1080 PolarHBondContact O-N 3.49Å; T1078-I1080 VanDerWaalsContact C-N 3.31Å; T1078-I1080 PolarHBondContact O-N 3.09Å; I1080-W1082 PolarHBondContact O-N 2.64Å; I1080-F1083 WeakPolarHBondContact O-CB 3.38Å; I1080-F1083 PolarHBondContact O-N 2.91Å; I1080-F1083 VanDerWaalsContact O-N 3.1Å; I1080-F1084 HydrophobicContact CG2-CD2 3.63Å; I1080-F1084 HydrophobicContact CG2-CE2 3.32Å; I1080-F1084 HydrophobicContact CG2-CZ 4.44Å; I1080-F1084 WeakPolarHBondContact O-CD2 3.37Å; I1080-F1084 PolarHBondContact O-N 2.72Å |
| 1081 | D | 70.2 | Confident | 68.9 | Low | 60 Ų | 60 | 69.5 Ų | 69.5 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 176.1 | -71 | -26.6 | 0 | 0 | 0 | 110.9 | T1077 T1078 F1084 H1085 | T1077-D1081 PolarHBondContact O-N 3.01Å; T1078-D1081 PolarHBondContact O-N 3.17Å; D1081-F1084 PolarHBondContact O-N 2.74Å; D1081-H1085 WeakPolarHBondContact O-CB 3.23Å; D1081-H1085 PolarHBondContact O-N 2.79Å |
| 1082 | W | 73.9 | Confident | 68.2 | Low | 9 Ų | 9 | 73.2 Ų | 73.2 | 3% | 0.034 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 173 | -77.9 | 19.5 | 0 | 0 | 0 | 113.3 | I881 R941 P943 I946 V980 T982 F985 T1078 K1079 I1080 H1085 S1086 | I881-W1082 HydrophobicContact CD1-CH2 3.67Å; I881-W1082 HydrophobicContact CD1-CZ3 3.97Å; I881-W1082 HydrophobicContact CG2-CZ3 4.09Å; R941-W1082 PolarHBondContact O-NE1 2.94Å; P943-W1082 HydrophobicContact CG-CB 3.68Å; P943-W1082 HydrophobicContact CG-CD2 3.58Å; P943-W1082 HydrophobicContact CG-CE3 3.68Å; P943-W1082 HydrophobicContact CG-CG 3.64Å; P943-W1082 HydrophobicContact CG-CZ3 4.37Å; I946-W1082 HydrophobicContact CD1-CH2 3.98Å; I946-W1082 HydrophobicContact CD1-CZ2 3.57Å; V980-W1082 HydrophobicContact CG1-CH2 4.1Å; V980-W1082 HydrophobicContact CG1-CZ2 3.37Å; T982-W1082 HydrophobicContact CG2-CD2 3.9Å; T982-W1082 HydrophobicContact CG2-CE3 3.8Å; T982-W1082 HydrophobicContact CG2-CH2 3.58Å; T982-W1082 HydrophobicContact CG2-CZ2 3.67Å; T982-W1082 HydrophobicContact CG2-CZ3 3.63Å; F985-W1082 HydrophobicContact CE1-CH2 4.07Å; F985-W1082 HydrophobicContact CE1-CZ3 4.47Å; F985-W1082 HydrophobicContact CE2-CH2 4.03Å; F985-W1082 AromaticContact CZ-CH2 3.52Å; F985-W1082 HydrophobicContact CZ-CH2 3.52Å; F985-W1082 HydrophobicContact CZ-CZ2 4.41Å; F985-W1082 HydrophobicContact CZ-CZ3 4.34Å; T1078-W1082 WeakPolarHBondContact O-CB 3.44Å; T1078-W1082 VanDerWaalsContact O-CG 3.26Å; T1078-W1082 PolarHBondContact O-N 3.19Å; K1079-W1082 WeakPolarHBondContact O-CB 3.47Å; K1079-W1082 PolarHBondContact O-N 2.87Å; I1080-W1082 PolarHBondContact O-N 2.64Å; W1082-H1085 PolarHBondContact O-N 3.3Å; W1082-S1086 WeakPolarHBondContact O-CB 3.46Å; W1082-S1086 PolarHBondContact O-N 2.8Å; W1082-S1086 PolarHBondContact O-OG 3.26Å |
| 1083 | F | 69.6 | Low | 67.7 | Low | 105 Ų | 105 | 74.7 Ų | 74.7 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | 174.9 | 177.3 | -98.1 | 0 | 0 | 0 | 110.8 | K1079 I1080 H1085 S1086 V1087 | K1079-F1083 PolarHBondContact O-N 3.38Å; I1080-F1083 WeakPolarHBondContact O-CB 3.38Å; I1080-F1083 PolarHBondContact O-N 2.91Å; I1080-F1083 VanDerWaalsContact O-N 3.1Å; F1083-H1085 VanDerWaalsContact C-N 3.31Å; F1083-H1085 PolarHBondContact O-N 3.25Å; F1083-S1086 PolarHBondContact O-N 2.9Å; F1083-S1086 VanDerWaalsContact O-N 3.16Å; F1083-V1087 HydrophobicContact CD1-CG2 4.28Å; F1083-V1087 HydrophobicContact CE1-CG2 3.93Å; F1083-V1087 HydrophobicContact CE2-CG2 4.35Å; F1083-V1087 HydrophobicContact CZ-CG2 3.96Å; F1083-V1087 WeakPolarHBondContact O-CG2 3.3Å; F1083-V1087 PolarHBondContact O-N 2.95Å |
| 1084 | F | 70.7 | Confident | 67 | Low | 131 Ų | 131 | 70.2 Ų | 70.2 | 58% | 0.575 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.8 | -36.7 | 177 | -73.8 | -61.6 | 0 | 0 | 0 | 112.9 | I1080 D1081 K1088 | I1080-F1084 HydrophobicContact CG2-CD2 3.63Å; I1080-F1084 HydrophobicContact CG2-CE2 3.32Å; I1080-F1084 HydrophobicContact CG2-CZ 4.44Å; I1080-F1084 WeakPolarHBondContact O-CD2 3.37Å; I1080-F1084 PolarHBondContact O-N 2.72Å; D1081-F1084 PolarHBondContact O-N 2.74Å; F1084-K1088 PolarHBondContact O-N 3.24Å |
| 1085 | H | 65.6 | Low | 66.5 | Low | 37 Ų | 37 | 73.9 Ų | 73.9 | 17% | 0.171 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 173.8 | -174.3 | -90.7 | 0 | 0 | 0 | 111.3 | H942 S944 D1081 W1082 F1083 V1087 K1088 H1089 | H942-H1085 HydrophobicContact CB-CB 4.48Å; H942-H1085 AromaticContact CD2-CD2 3.71Å; H942-H1085 AromaticContact CD2-CE1 3.64Å; H942-H1085 AromaticContact CD2-NE2 3.31Å; H942-H1085 PolarHBondContact CD2-NE2 3.25Å; H942-H1085 VanDerWaalsContact CD2-NE2 3.31Å; H942-H1085 AromaticContact CE1-CE1 3.59Å; H942-H1085 AromaticContact CE1-NE2 3.79Å; H942-H1085 AromaticContact CG-CD2 3.89Å; H942-H1085 AromaticContact CG-CE1 3.39Å; H942-H1085 AromaticContact CG-ND1 3.73Å; H942-H1085 AromaticContact CG-NE2 3.56Å; H942-H1085 AromaticContact ND1-CE1 3.38Å; H942-H1085 PolarHBondContact ND1-CE1 3.45Å; H942-H1085 AromaticContact ND1-ND1 3.95Å; H942-H1085 AromaticContact ND1-NE2 3.86Å; H942-H1085 AromaticContact NE2-CE1 3.74Å; H942-H1085 AromaticContact NE2-NE2 3.45Å; H942-H1085 PolarHBondContact NE2-NE2 3.18Å; S944-H1085 PolarHBondContact OG-CE1 2.95Å; D1081-H1085 WeakPolarHBondContact O-CB 3.23Å; D1081-H1085 PolarHBondContact O-N 2.79Å; W1082-H1085 PolarHBondContact O-N 3.3Å; F1083-H1085 VanDerWaalsContact C-N 3.31Å; F1083-H1085 PolarHBondContact O-N 3.25Å; H1085-V1087 PolarHBondContact O-N 2.79Å; H1085-K1088 WeakPolarHBondContact O-CB 3.29Å; H1085-K1088 PolarHBondContact O-N 3Å; H1085-K1088 VanDerWaalsContact O-N 3.17Å; H1085-H1089 AromaticContact CE1-CD2 3.2Å; H1085-H1089 PolarHBondContact CE1-CD2 3.23Å; H1085-H1089 AromaticContact CE1-NE2 3.05Å; H1085-H1089 PolarHBondContact CE1-NE2 3.37Å; H1085-H1089 AromaticContact ND1-CD2 3.63Å; H1085-H1089 AromaticContact ND1-NE2 3.93Å; H1085-H1089 AromaticContact NE2-CD2 3.61Å; H1085-H1089 AromaticContact NE2-NE2 3.13Å; H1085-H1089 PolarHBondContact NE2-NE2 2.99Å; H1085-H1089 VanDerWaalsContact NE2-NE2 3.13Å; H1085-H1089 PolarHBondContact O-CD2 3.11Å; H1085-H1089 VanDerWaalsContact O-CD2 3.3Å; H1085-H1089 PolarHBondContact O-N 3.15Å |
| 1086 | S | 69.4 | Low | 66.2 | Low | 8 Ų | 8 | 78.9 Ų | 78.9 | 6% | 0.056 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 179 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | W1082 F1083 K1088 H1089 M1090 | W1082-S1086 WeakPolarHBondContact O-CB 3.46Å; W1082-S1086 PolarHBondContact O-N 2.8Å; W1082-S1086 PolarHBondContact O-OG 3.26Å; F1083-S1086 PolarHBondContact O-N 2.9Å; F1083-S1086 VanDerWaalsContact O-N 3.16Å; S1086-K1088 PolarHBondContact O-N 3.27Å; S1086-H1089 PolarHBondContact O-N 2.94Å; S1086-H1089 VanDerWaalsContact O-N 3.08Å; S1086-M1090 WeakPolarHBondContact O-CG 3.42Å; S1086-M1090 PolarHBondContact O-N 2.75Å |
| 1087 | V | 65.8 | Low | 66.6 | Low | 70 Ų | 70 | 72.1 Ų | 72.1 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.2 | -29 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 112.5 | F1083 H1085 H1089 | F1083-V1087 HydrophobicContact CD1-CG2 4.28Å; F1083-V1087 HydrophobicContact CE1-CG2 3.93Å; F1083-V1087 HydrophobicContact CE2-CG2 4.35Å; F1083-V1087 HydrophobicContact CZ-CG2 3.96Å; F1083-V1087 WeakPolarHBondContact O-CG2 3.3Å; F1083-V1087 PolarHBondContact O-N 2.95Å; H1085-V1087 PolarHBondContact O-N 2.79Å; V1087-H1089 VanDerWaalsContact C-N 3.33Å |
| 1088 | K | 67 | Low | 66.7 | Low | 163 Ų | 163 | 74 Ų | 74 | 71% | 0.709 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -73.8 | -25 | 177 | -174 | -176.4 | 171.8 | -163.2 | 0 | 113 | F1084 H1085 S1086 | F1084-K1088 PolarHBondContact O-N 3.24Å; H1085-K1088 WeakPolarHBondContact O-CB 3.29Å; H1085-K1088 PolarHBondContact O-N 3Å; H1085-K1088 VanDerWaalsContact O-N 3.17Å; S1086-K1088 PolarHBondContact O-N 3.27Å |
| 1089 | H | 59.6 | Low | 66.5 | Low | 108 Ų | 108 | 79.5 Ų | 79.5 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -100.4 | -8.8 | -179.1 | -72.2 | -79.3 | 0 | 0 | 0 | 113.4 | L882 H1085 S1086 V1087 | L882-H1089 HydrophobicContact CD2-CB 4.19Å; H1085-H1089 AromaticContact CE1-CD2 3.2Å; H1085-H1089 PolarHBondContact CE1-CD2 3.23Å; H1085-H1089 AromaticContact CE1-NE2 3.05Å; H1085-H1089 PolarHBondContact CE1-NE2 3.37Å; H1085-H1089 AromaticContact ND1-CD2 3.63Å; H1085-H1089 AromaticContact ND1-NE2 3.93Å; H1085-H1089 AromaticContact NE2-CD2 3.61Å; H1085-H1089 AromaticContact NE2-NE2 3.13Å; H1085-H1089 PolarHBondContact NE2-NE2 2.99Å; H1085-H1089 VanDerWaalsContact NE2-NE2 3.13Å; H1085-H1089 PolarHBondContact O-CD2 3.11Å; H1085-H1089 VanDerWaalsContact O-CD2 3.3Å; H1085-H1089 PolarHBondContact O-N 3.15Å; S1086-H1089 PolarHBondContact O-N 2.94Å; S1086-H1089 VanDerWaalsContact O-N 3.08Å; V1087-H1089 VanDerWaalsContact C-N 3.33Å |
| 1090 | M | 51.1 | Low | 66.4 | Low | 160 Ų | 160 | 82.3 Ų | 82.3 | 79% | 0.788 | 39% | 0.392 | S | S | * | . | trans | -77.6 | 0 | 161.5 | -66.7 | -177.7 | -167.2 | 0 | 0 | 109.6 | I896 S1086 | I896-M1090 HydrophobicContact CG2-CE 4.4Å; S1086-M1090 WeakPolarHBondContact O-CG 3.42Å; S1086-M1090 PolarHBondContact O-N 2.75Å |
Retrieved 1,090 of 1,090 residues in 658.8 ms
(Link to these results)