| 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 | 24.5 | Very low | 61.6 | Low | 229 Ų | 229 | 77.1 Ų | 77.1 | 100% | 1.128 | 42% | 0.418 | S | S | * | . | 0 | 132.7 | 0 | -66.5 | -68.6 | -164.6 | 0 | 0 | 106.5 | |||||
| 2 | P | 29.6 | Very low | 63.6 | Low | 59 Ų | 59 | 72.6 Ų | 72.6 | 38% | 0.383 | 39% | 0.393 | S | S | . | . | trans | -54.2 | 144.1 | 166 | -12.4 | 27.1 | 0 | 0 | 0 | 108 | F16 | P2-F16 HydrophobicContact CB-CD2 4.38Å; P2-F16 HydrophobicContact CB-CE2 4.37Å; P2-F16 HydrophobicContact CG-CE2 4.49Å | ||
| 3 | S | 35.7 | Very low | 65.5 | Low | 89 Ų | 89 | 67 Ų | 67 | 62% | 0.622 | 36% | 0.363 | S | S | * | . | trans | -43.5 | 141.1 | -167 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | K5 | S3-K5 PolarHBondContact O-N 3.26Š| ||
| 4 | E | 51.2 | Low | 67.2 | Low | 206 Ų | 206 | 62.6 Ų | 62.6 | 96% | 0.963 | 34% | 0.339 | S | S | * | . | trans | -58.4 | 13.3 | 167.7 | -65.7 | 176.3 | 158 | 0 | 0 | 114.1 | K6 | E4-K6 PolarHBondContact O-N 3.12Š| ||
| 5 | K | 61 | Low | 68.7 | Low | 97 Ų | 97 | 62.1 Ų | 62.1 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 117.9 | -178 | -159.1 | -177.3 | -175.5 | -161.1 | 0 | 109.4 | S3 D12 E230 | S3-K5 PolarHBondContact O-N 3.26Å; K5-D12 IonicContact NZ-OD1 3.88Å; K5-D12 PolarHBondContact NZ-OD1 2.66Å; K5-E230 WeakPolarHBondContact CE-OE1 3.36Å; K5-E230 IonicContact NZ-OE1 3.52Å |
| 6 | K | 70.1 | Confident | 70.1 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 25% | 0.248 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 132.7 | 173.8 | -168.2 | 178.9 | -173.5 | -167.4 | 0 | 109.5 | E4 S8 T233 P235 E751 | E4-K6 PolarHBondContact O-N 3.12Å; K6-S8 PolarHBondContact O-N 3.35Å; K6-T233 WeakPolarHBondContact CE-O 3.44Å; K6-T233 PolarHBondContact NZ-O 2.96Å; K6-P235 HydrophobicContact CD-CG 4.28Å; K6-P235 VanDerWaalsContact CE-CG 3.41Å; K6-P235 HydrophobicContact CG-CG 3.88Å; K6-E751 IonicContact NZ-OE2 2.67Å; K6-E751 PolarHBondContact NZ-OE2 3.16Å |
| 7 | V | 78.6 | Confident | 71.4 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -69 | 122.2 | 178.4 | 176.3 | 0 | 0 | 0 | 0 | 109.2 | D12 C13 I116 Y238 F239 | V7-D12 HydrophobicContact CG1-CB 4.32Å; V7-C13 VanDerWaalsContact CG1-SG 3.53Å; V7-I116 HydrophobicContact CG2-CD1 3.73Å; V7-I116 HydrophobicContact CG2-CG1 3.86Å; V7-Y238 HydrophobicContact CG1-CE1 4.42Å; V7-F239 HydrophobicContact CB-CZ 4.38Å; V7-F239 HydrophobicContact CG1-CE1 4.37Å; V7-F239 HydrophobicContact CG1-CZ 3.9Å |
| 8 | S | 77.2 | Confident | 72.6 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 12% | 0.119 | 32% | 0.318 | C | S | . | . | trans | -126.8 | -6.8 | -177.6 | 71 | 0 | 0 | 0 | 0 | 114.1 | K6 D12 | K6-S8 PolarHBondContact O-N 3.35Å; S8-D12 WeakPolarHBondContact CA-OD2 3.33Å; S8-D12 PolarHBondContact N-OD2 3.49Å; S8-D12 PolarHBondContact OG-OD2 3.17Å | ||
| 9 | S | 81.9 | Confident | 73.6 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -159.9 | 165.7 | -175.2 | 64.4 | 0 | 0 | 0 | 0 | 112.1 | A11 D12 C13 Y238 | S9-A11 PolarHBondContact O-N 2.84Å; S9-D12 PolarHBondContact N-OD2 2.98Å; S9-D12 VanDerWaalsContact N-OD2 3.13Å; S9-D12 PolarHBondContact O-N 2.79Å; S9-D12 PolarHBondContact OG-N 2.77Å; S9-D12 PolarHBondContact OG-OD2 2.98Å; S9-C13 PolarHBondContact O-N 3.31Å; S9-Y238 VanDerWaalsContact C-OH 3.24Å |
| 10 | A | 83.4 | Confident | 74.5 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.2 | -32.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D12 C13 L14 Y123 Y238 E249 | A10-D12 VanDerWaalsContact C-N 3.34Å; A10-D12 PolarHBondContact O-N 3.4Å; A10-C13 WeakPolarHBondContact O-CB 3.48Å; A10-C13 PolarHBondContact O-N 2.74Å; A10-C13 VanDerWaalsContact O-N 3.15Å; A10-L14 WeakPolarHBondContact O-CG 3.48Å; A10-L14 PolarHBondContact O-N 3.15Å; A10-Y123 HydrophobicContact CB-CD1 4.18Å; A10-Y123 HydrophobicContact CB-CD2 3.4Å; A10-Y123 HydrophobicContact CB-CE1 4.44Å; A10-Y123 HydrophobicContact CB-CE2 3.72Å; A10-Y123 HydrophobicContact CB-CG 3.65Å; A10-Y238 PolarHBondContact N-OH 3.4Å; A10-E249 PolarHBondContact N-OE1 2.92Å |
| 11 | A | 84.3 | Confident | 75.4 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | S9 C13 L14 A15 | S9-A11 PolarHBondContact O-N 2.84Å; A11-C13 VanDerWaalsContact C-N 3.29Å; A11-C13 PolarHBondContact O-N 3.19Å; A11-L14 PolarHBondContact O-N 3.06Å; A11-A15 WeakPolarHBondContact O-CB 3.34Å; A11-A15 PolarHBondContact O-N 2.91Å |
| 12 | D | 85.6 | Confident | 78.7 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 174.2 | -60.8 | -47.5 | 0 | 0 | 0 | 111.1 | K5 V7 S8 S9 A10 A15 F16 | K5-D12 IonicContact NZ-OD1 3.88Å; K5-D12 PolarHBondContact NZ-OD1 2.66Å; V7-D12 HydrophobicContact CG1-CB 4.32Å; S8-D12 WeakPolarHBondContact CA-OD2 3.33Å; S8-D12 PolarHBondContact N-OD2 3.49Å; S8-D12 PolarHBondContact OG-OD2 3.17Å; S9-D12 PolarHBondContact N-OD2 2.98Å; S9-D12 VanDerWaalsContact N-OD2 3.13Å; S9-D12 PolarHBondContact O-N 2.79Å; S9-D12 PolarHBondContact OG-N 2.77Å; S9-D12 PolarHBondContact OG-OD2 2.98Å; A10-D12 VanDerWaalsContact C-N 3.34Å; A10-D12 PolarHBondContact O-N 3.4Å; D12-A15 PolarHBondContact O-N 2.9Å; D12-F16 WeakPolarHBondContact O-CB 3.38Å; D12-F16 PolarHBondContact O-N 3.14Å |
| 13 | C | 88.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 174.1 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | V7 S9 A10 A11 F16 M17 I116 | V7-C13 VanDerWaalsContact CG1-SG 3.53Å; S9-C13 PolarHBondContact O-N 3.31Å; A10-C13 WeakPolarHBondContact O-CB 3.48Å; A10-C13 PolarHBondContact O-N 2.74Å; A10-C13 VanDerWaalsContact O-N 3.15Å; A11-C13 VanDerWaalsContact C-N 3.29Å; A11-C13 PolarHBondContact O-N 3.19Å; C13-F16 PolarHBondContact O-N 3.24Å; C13-M17 VanDerWaalsContact O-CG 3.31Å; C13-M17 WeakPolarHBondContact O-CG 3.44Å; C13-M17 PolarHBondContact O-N 3.35Å; C13-I116 HydrophobicContact CB-CG2 4.08Å |
| 14 | L | 90.1 | Very high | 84.6 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 177.4 | -64.5 | 178.4 | 0 | 0 | 0 | 111.5 | A10 A11 F16 M17 Q18 L39 L43 Y123 L124 V152 | A10-L14 WeakPolarHBondContact O-CG 3.48Å; A10-L14 PolarHBondContact O-N 3.15Å; A11-L14 PolarHBondContact O-N 3.06Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 2.93Å; L14-M17 HydrophobicContact CD2-SD 4.44Å; L14-M17 PolarHBondContact O-N 3.33Å; L14-Q18 WeakPolarHBondContact O-CG 3.38Å; L14-Q18 PolarHBondContact O-N 3.16Å; L14-L39 HydrophobicContact CD2-CD2 4.04Å; L14-L43 HydrophobicContact CD1-CD1 4.27Å; L14-Y123 HydrophobicContact CD1-CD1 3.95Å; L14-Y123 HydrophobicContact CD1-CE1 4.13Å; L14-L124 HydrophobicContact CD1-CD2 4.46Å; L14-L124 HydrophobicContact CD2-CD1 4.09Å; L14-L124 HydrophobicContact CD2-CD2 3.9Å; L14-L124 HydrophobicContact CD2-CG 3.82Å; L14-V152 HydrophobicContact CD1-CG2 4.47Å |
| 15 | A | 89.2 | Confident | 86.7 | Confident | 55 Ų | 55 | 36.3 Ų | 36.3 | 46% | 0.455 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A11 D12 Q18 G19 | A11-A15 WeakPolarHBondContact O-CB 3.34Å; A11-A15 PolarHBondContact O-N 2.91Å; D12-A15 PolarHBondContact O-N 2.9Å; A15-Q18 PolarHBondContact O-N 3.29Å; A15-G19 PolarHBondContact O-N 3.31Å |
| 16 | F | 90.4 | Very high | 88.1 | Confident | 45 Ų | 45 | 31.9 Ų | 31.9 | 20% | 0.197 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 173.5 | -175.6 | -84.6 | 0 | 0 | 0 | 111.9 | P2 D12 C13 L14 Q18 G19 G20 C21 V113 I116 W117 | P2-F16 HydrophobicContact CB-CD2 4.38Å; P2-F16 HydrophobicContact CB-CE2 4.37Å; P2-F16 HydrophobicContact CG-CE2 4.49Å; D12-F16 WeakPolarHBondContact O-CB 3.38Å; D12-F16 PolarHBondContact O-N 3.14Å; C13-F16 PolarHBondContact O-N 3.24Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 2.93Å; F16-Q18 VanDerWaalsContact C-N 3.3Å; F16-Q18 PolarHBondContact O-N 3.29Å; F16-G19 PolarHBondContact O-N 2.65Å; F16-G20 PolarHBondContact O-N 2.97Å; F16-C21 HydrophobicContact CE1-CB 4.09Å; F16-C21 HydrophobicContact CZ-CB 4.27Å; F16-V113 HydrophobicContact CE1-CG1 4.29Å; F16-V113 HydrophobicContact CZ-CG2 4.36Å; F16-I116 HydrophobicContact CB-CG2 3.85Å; F16-I116 HydrophobicContact CD1-CB 4.44Å; F16-I116 HydrophobicContact CD1-CD1 4.4Å; F16-I116 HydrophobicContact CD1-CG2 3.5Å; F16-I116 HydrophobicContact CD2-CD1 4.34Å; F16-I116 HydrophobicContact CE1-CD1 4.47Å; F16-I116 HydrophobicContact CE1-CG2 4.27Å; F16-I116 HydrophobicContact CE2-CD1 4.41Å; F16-I116 HydrophobicContact CG-CD1 4.34Å; F16-I116 HydrophobicContact CG-CG2 3.82Å; F16-I116 HydrophobicContact CZ-CD1 4.47Å; F16-W117 AromaticContact CE1-NE1 3.92Å |
| 17 | M | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -35.5 | 177.3 | -69.5 | 169.3 | 63.8 | 0 | 0 | 112.5 | C13 L14 G20 T38 L39 L46 W117 L121 | C13-M17 VanDerWaalsContact O-CG 3.31Å; C13-M17 WeakPolarHBondContact O-CG 3.44Å; C13-M17 PolarHBondContact O-N 3.35Å; L14-M17 HydrophobicContact CD2-SD 4.44Å; L14-M17 PolarHBondContact O-N 3.33Å; M17-G20 PolarHBondContact O-N 2.9Å; M17-T38 WeakPolarHBondContact O-CA 3.34Å; M17-L39 HydrophobicContact CB-CB 3.87Å; M17-L39 HydrophobicContact CB-CD2 4.15Å; M17-L39 HydrophobicContact CE-CB 4.46Å; M17-L39 HydrophobicContact CE-CD2 4.07Å; M17-L39 PolarHBondContact O-N 3.07Å; M17-L46 HydrophobicContact CE-CD2 4.14Å; M17-W117 HydrophobicContact CB-CH2 4.31Å; M17-W117 HydrophobicContact CB-CZ2 4.39Å; M17-W117 HydrophobicContact CB-CZ3 4.49Å; M17-W117 HydrophobicContact CE-CE3 3.73Å; M17-W117 HydrophobicContact CE-CZ3 3.83Å; M17-W117 HydrophobicContact CG-CD2 3.87Å; M17-W117 HydrophobicContact CG-CE3 3.98Å; M17-W117 HydrophobicContact CG-CG 4.32Å; M17-W117 HydrophobicContact CG-CH2 4.38Å; M17-W117 HydrophobicContact CG-CZ2 4.3Å; M17-W117 HydrophobicContact CG-CZ3 4.24Å; M17-W117 HydrophobicContact SD-CE3 4.37Å; M17-L121 HydrophobicContact CE-CD2 3.62Å; M17-L121 HydrophobicContact CE-CG 3.71Å |
| 18 | Q | 93.3 | Very high | 89.4 | Confident | 70 Ų | 70 | 37.2 Ų | 37.2 | 33% | 0.327 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.3 | -38 | 174.3 | -72.4 | 178 | -33.9 | 0 | 0 | 112.2 | L14 A15 F16 G20 L39 D40 T41 L43 | L14-Q18 WeakPolarHBondContact O-CG 3.38Å; L14-Q18 PolarHBondContact O-N 3.16Å; A15-Q18 PolarHBondContact O-N 3.29Å; F16-Q18 VanDerWaalsContact C-N 3.3Å; F16-Q18 PolarHBondContact O-N 3.29Å; Q18-G20 PolarHBondContact O-N 2.8Å; Q18-L39 HydrophobicContact CG-CB 4.21Å; Q18-L39 HydrophobicContact CG-CD2 4.29Å; Q18-L39 HydrophobicContact CG-CG 4.34Å; Q18-D40 PolarHBondContact NE2-O 2.85Å; Q18-T41 PolarHBondContact NE2-O 3.42Å; Q18-L43 HydrophobicContact CG-CD2 4.46Å; Q18-L43 VanDerWaalsContact NE2-CD2 3.31Å |
| 19 | G | 89.9 | Confident | 89.8 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 45% | 0.454 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.3 | -27.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A15 F16 | A15-G19 PolarHBondContact O-N 3.31Å; F16-G19 PolarHBondContact O-N 2.65Å |
| 20 | G | 92 | Very high | 89.9 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | trans | 76.7 | 159.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F16 M17 Q18 F36 Y37 | F16-G20 PolarHBondContact O-N 2.97Å; M17-G20 PolarHBondContact O-N 2.9Å; Q18-G20 PolarHBondContact O-N 2.8Å; G20-F36 WeakPolarHBondContact O-CZ 3.37Å; G20-Y37 CarbonylContact C-O 3.57Å; G20-Y37 WeakPolarHBondContact CA-O 3.42Å | ||
| 21 | C | 93.6 | Very high | 90.1 | Very high | 16 Ų | 16 | 49 Ų | 49 | 11% | 0.108 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 166.1 | 175 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | F16 F36 Y37 W117 | F16-C21 HydrophobicContact CE1-CB 4.09Å; F16-C21 HydrophobicContact CZ-CB 4.27Å; C21-F36 CarbonylContact O-C 3.47Å; C21-F36 WeakPolarHBondContact O-CA 3.45Å; C21-Y37 PolarHBondContact N-O 3.26Å; C21-Y37 PolarHBondContact O-N 3.39Å; C21-W117 PolarHBondContact SG-NE1 3.04Å |
| 22 | E | 94.6 | Very high | 90.3 | Very high | 136 Ų | 136 | 49.4 Ų | 49.4 | 64% | 0.636 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 129.4 | 171.9 | -65.2 | -168.7 | 150.4 | 0 | 0 | 111.7 | R35 F36 | E22-R35 CarbonylContact C-O 3.51Å; E22-R35 WeakPolarHBondContact CA-O 3.48Å; E22-F36 HydrophobicContact CG-CD2 3.87Å |
| 23 | L | 95.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 148.2 | 170.8 | -54 | 173.3 | 0 | 0 | 0 | 110.1 | R35 Y37 F93 L106 A108 V113 W117 | L23-R35 PolarHBondContact N-O 2.9Å; L23-R35 PolarHBondContact O-N 3.41Å; L23-R35 VanDerWaalsContact O-O 3.13Å; L23-Y37 HydrophobicContact CB-CD2 3.62Å; L23-Y37 HydrophobicContact CB-CE2 3.82Å; L23-Y37 HydrophobicContact CD1-CD2 3.76Å; L23-Y37 HydrophobicContact CD1-CE2 4.37Å; L23-Y37 HydrophobicContact CD1-CG 3.94Å; L23-Y37 HydrophobicContact CG-CD2 3.93Å; L23-F93 HydrophobicContact CD1-CZ 3.99Å; L23-L106 HydrophobicContact CD1-CD1 4.06Å; L23-A108 HydrophobicContact CD2-CB 3.75Å; L23-V113 HydrophobicContact CD2-CG1 4.13Å; L23-W117 HydrophobicContact CD1-CD2 4.1Å; L23-W117 HydrophobicContact CD1-CE3 4.45Å; L23-W117 HydrophobicContact CD1-CG 4.47Å; L23-W117 HydrophobicContact CD1-CZ2 4.39Å |
| 24 | K | 94 | Very high | 90.8 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 37% | 0.365 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 113.8 | 176 | -66.3 | 174.2 | -175.6 | 170.1 | 0 | 109.6 | V32 L106 V107 | K24-V32 HydrophobicContact CB-CG1 3.93Å; K24-V32 HydrophobicContact CD-CG1 4.4Å; K24-V32 HydrophobicContact CG-CG1 4.26Å; K24-L106 CarbonylContact O-C 3.51Å; K24-L106 WeakPolarHBondContact O-CA 3.47Å; K24-V107 HydrophobicContact CB-CB 4.24Å; K24-V107 WeakPolarHBondContact CB-O 3.44Å; K24-V107 PolarHBondContact N-O 3.08Å; K24-V107 PolarHBondContact O-N 2.99Å |
| 25 | K | 93.6 | Very high | 91 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 7% | 0.07 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 124.7 | 173.1 | -177.2 | 176.8 | -166.6 | 145.6 | 0 | 111 | V32 Y33 L104 L106 | K25-V32 WeakPolarHBondContact O-CA 3.48Å; K25-Y33 PolarHBondContact N-O 2.93Å; K25-Y33 PolarHBondContact O-N 3.38Å; K25-L104 HydrophobicContact CD-CD1 4Å; K25-L104 HydrophobicContact CG-CD1 4.15Å; K25-L106 HydrophobicContact CB-CD2 4.13Å; K25-L106 HydrophobicContact CG-CD2 4.38Å |
| 26 | I | 92.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 138.9 | 178.9 | -47.2 | -56.2 | 0 | 0 | 0 | 109.4 | V32 T76 F77 L87 D105 V107 | I26-V32 HydrophobicContact CD1-CB 4.45Å; I26-V32 HydrophobicContact CD1-CG1 4.01Å; I26-V32 HydrophobicContact CD1-CG2 3.87Å; I26-T76 HydrophobicContact CB-CG2 4.49Å; I26-T76 HydrophobicContact CG2-CG2 4.02Å; I26-F77 HydrophobicContact CB-CE1 4.36Å; I26-F77 HydrophobicContact CG1-CE1 3.78Å; I26-F77 HydrophobicContact CG1-CZ 4.06Å; I26-L87 HydrophobicContact CD1-CD1 3.99Å; I26-L87 HydrophobicContact CG1-CD1 4.42Å; I26-D105 HydrophobicContact CB-CB 4.28Å; I26-D105 PolarHBondContact N-O 3.48Å; I26-V107 HydrophobicContact CD1-CG2 4.14Å; I26-V107 HydrophobicContact CG1-CG2 3.93Å |
| 27 | R | 89.6 | Confident | 91.5 | Very high | 91 Ų | 91 | 55.6 Ų | 55.6 | 34% | 0.343 | 28% | 0.284 | S | S | . | . | trans | -114.6 | 155.7 | 176.3 | -69.1 | -57.6 | -162.3 | 172 | 4.6 | 111.5 | N29 S30 R31 Y33 N80 | R27-N29 WeakPolarHBondContact CB-OD1 3.26Å; R27-N29 PolarHBondContact O-N 3.38Å; R27-N29 VanDerWaalsContact O-N 3.09Å; R27-S30 PolarHBondContact O-N 2.96Å; R27-R31 HydrophobicContact CB-CB 4.39Å; R27-R31 PolarHBondContact N-O 2.93Å; R27-R31 VanDerWaalsContact N-O 3.08Å; R27-Y33 HydrophobicContact CG-CD2 4.1Å; R27-Y33 HydrophobicContact CG-CE2 3.88Å; R27-N80 PolarHBondContact O-ND2 3.02Å | ||
| 28 | P | 86.1 | Confident | 91.6 | Very high | 93 Ų | 93 | 57.4 Ų | 57.4 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22 | 175.9 | -27.4 | 35.3 | 0 | 0 | 0 | 114.8 | S30 T76 | P28-S30 VanDerWaalsContact C-N 3.29Å; P28-S30 PolarHBondContact O-N 3.37Å; P28-T76 HydrophobicContact CG-CG2 4.39Å |
| 29 | N | 85.6 | Confident | 91.7 | Very high | 91 Ų | 91 | 54.3 Ų | 54.3 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 25.3 | 176.3 | 66.7 | -2.3 | 0 | 0 | 0 | 113.6 | R27 R31 | R27-N29 WeakPolarHBondContact CB-OD1 3.26Å; R27-N29 PolarHBondContact O-N 3.38Å; R27-N29 VanDerWaalsContact O-N 3.09Å; N29-R31 PolarHBondContact O-N 3.47Å; N29-R31 WeakPolarHBondContact OD1-CB 3.3Å; N29-R31 WeakPolarHBondContact OD1-CG 3.47Å; N29-R31 PolarHBondContact OD1-N 3.49Å |
| 30 | S | 82.8 | Confident | 91.8 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 61.1 | 7.4 | -178.6 | -38.8 | 0 | 0 | 0 | 0 | 116.4 | R27 P28 N80 | R27-S30 PolarHBondContact O-N 2.96Å; P28-S30 VanDerWaalsContact C-N 3.29Å; P28-S30 PolarHBondContact O-N 3.37Å; S30-N80 WeakPolarHBondContact CA-OD1 3.39Å; S30-N80 WeakPolarHBondContact CB-OD1 3.4Å; S30-N80 PolarHBondContact N-OD1 3.13Å; S30-N80 PolarHBondContact OG-OD1 2.94Å |
| 31 | R | 87.4 | Confident | 91.6 | Very high | 148 Ų | 148 | 59.4 Ų | 59.4 | 56% | 0.558 | 30% | 0.302 | S | S | * | . | trans | -76 | 130.7 | 176.2 | -66 | -177.2 | -176.6 | 173.4 | -0.4 | 111 | R27 N29 Y33 | R27-R31 HydrophobicContact CB-CB 4.39Å; R27-R31 PolarHBondContact N-O 2.93Å; R27-R31 VanDerWaalsContact N-O 3.08Å; N29-R31 PolarHBondContact O-N 3.47Å; N29-R31 WeakPolarHBondContact OD1-CB 3.3Å; N29-R31 WeakPolarHBondContact OD1-CG 3.47Å; N29-R31 PolarHBondContact OD1-N 3.49Å; R31-Y33 HydrophobicContact CB-CE2 3.87Å; R31-Y33 WeakPolarHBondContact CD-OH 3.38Å | ||
| 32 | V | 90.2 | Very high | 91.4 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 35% | 0.345 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.9 | 176 | -175.2 | 0 | 0 | 0 | 0 | 110 | K24 K25 I26 L83 | K24-V32 HydrophobicContact CB-CG1 3.93Å; K24-V32 HydrophobicContact CD-CG1 4.4Å; K24-V32 HydrophobicContact CG-CG1 4.26Å; K25-V32 WeakPolarHBondContact O-CA 3.48Å; I26-V32 HydrophobicContact CD1-CB 4.45Å; I26-V32 HydrophobicContact CD1-CG1 4.01Å; I26-V32 HydrophobicContact CD1-CG2 3.87Å; V32-L83 HydrophobicContact CG2-CD2 3.55Å |
| 33 | Y | 91.3 | Very high | 91.2 | Very high | 73 Ų | 73 | 55.6 Ų | 55.6 | 29% | 0.286 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 114 | 177.9 | -66.2 | -72.1 | 0 | 0 | 0 | 110.5 | K25 R27 R31 R35 | K25-Y33 PolarHBondContact N-O 2.93Å; K25-Y33 PolarHBondContact O-N 3.38Å; R27-Y33 HydrophobicContact CG-CD2 4.1Å; R27-Y33 HydrophobicContact CG-CE2 3.88Å; R31-Y33 HydrophobicContact CB-CE2 3.87Å; R31-Y33 WeakPolarHBondContact CD-OH 3.38Å; Y33-R35 VanDerWaalsContact CD1-NH2 3.27Å; Y33-R35 PolarHBondContact O-N 2.98Å |
| 34 | C | 92.1 | Very high | 91 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 47% | 0.473 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 126 | 167.6 | -57 | 0 | 0 | 0 | 0 | 109.1 | ||
| 35 | R | 94.1 | Very high | 91 | Very high | 44 Ų | 44 | 53 Ų | 53 | 17% | 0.166 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 140.8 | -179.8 | -60.6 | -66.9 | 179.8 | -106.4 | 12.6 | 109.1 | E22 L23 Y33 Y37 W48 E49 P50 | E22-R35 CarbonylContact C-O 3.51Å; E22-R35 WeakPolarHBondContact CA-O 3.48Å; L23-R35 PolarHBondContact N-O 2.9Å; L23-R35 PolarHBondContact O-N 3.41Å; L23-R35 VanDerWaalsContact O-O 3.13Å; Y33-R35 VanDerWaalsContact CD1-NH2 3.27Å; Y33-R35 PolarHBondContact O-N 2.98Å; R35-Y37 HydrophobicContact CB-CD2 4.03Å; R35-Y37 HydrophobicContact CB-CE2 3.58Å; R35-Y37 HydrophobicContact CG-CE2 4.42Å; R35-Y37 WeakPolarHBondContact O-CD2 3.43Å; R35-W48 HydrophobicContact CB-CB 4.22Å; R35-E49 CarbonylContact C-O 3.55Å; R35-E49 VanDerWaalsContact CA-O 3.3Å; R35-E49 WeakPolarHBondContact CA-O 3.35Å; R35-P50 WeakPolarHBondContact CD-O 3.4Å; R35-P50 PolarHBondContact NE-O 2.9Å |
| 36 | F | 94.3 | Very high | 91 | Very high | 71 Ų | 71 | 52.2 Ų | 52.2 | 31% | 0.311 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 118.3 | 167.8 | -160.1 | -95.5 | 0 | 0 | 0 | 108.4 | G20 C21 E22 T38 W48 E49 | G20-F36 WeakPolarHBondContact O-CZ 3.37Å; C21-F36 CarbonylContact O-C 3.47Å; C21-F36 WeakPolarHBondContact O-CA 3.45Å; E22-F36 HydrophobicContact CG-CD2 3.87Å; F36-T38 HydrophobicContact CD1-CG2 3.87Å; F36-T38 HydrophobicContact CE1-CG2 3.62Å; F36-W48 CarbonylContact O-C 3.6Å; F36-W48 WeakPolarHBondContact O-CA 3.45Å; F36-E49 HydrophobicContact CB-CG 4.25Å; F36-E49 PolarHBondContact N-O 3.4Å; F36-E49 PolarHBondContact O-N 3.35Å |
| 37 | Y | 96.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 138.5 | 178 | -76 | -99.7 | 0 | 0 | 0 | 110.3 | G20 C21 L23 R35 R47 W48 L104 L106 | G20-Y37 CarbonylContact C-O 3.57Å; G20-Y37 WeakPolarHBondContact CA-O 3.42Å; C21-Y37 PolarHBondContact N-O 3.26Å; C21-Y37 PolarHBondContact O-N 3.39Å; L23-Y37 HydrophobicContact CB-CD2 3.62Å; L23-Y37 HydrophobicContact CB-CE2 3.82Å; L23-Y37 HydrophobicContact CD1-CD2 3.76Å; L23-Y37 HydrophobicContact CD1-CE2 4.37Å; L23-Y37 HydrophobicContact CD1-CG 3.94Å; L23-Y37 HydrophobicContact CG-CD2 3.93Å; R35-Y37 HydrophobicContact CB-CD2 4.03Å; R35-Y37 HydrophobicContact CB-CE2 3.58Å; R35-Y37 HydrophobicContact CG-CE2 4.42Å; R35-Y37 WeakPolarHBondContact O-CD2 3.43Å; Y37-R47 VanDerWaalsContact CA-O 3.28Å; Y37-R47 WeakPolarHBondContact CA-O 3.41Å; Y37-W48 HydrophobicContact CD1-CB 3.63Å; Y37-W48 HydrophobicContact CD1-CD2 4.4Å; Y37-W48 HydrophobicContact CD1-CE3 4Å; Y37-W48 HydrophobicContact CD1-CG 4.3Å; Y37-W48 HydrophobicContact CD2-CB 4.21Å; Y37-W48 HydrophobicContact CE1-CB 3.6Å; Y37-W48 AromaticContact CE1-CD2 3.75Å; Y37-W48 HydrophobicContact CE1-CD2 3.75Å; Y37-W48 AromaticContact CE1-CE3 3.51Å; Y37-W48 HydrophobicContact CE1-CE3 3.51Å; Y37-W48 AromaticContact CE1-CG 3.8Å; Y37-W48 HydrophobicContact CE1-CG 3.8Å; Y37-W48 HydrophobicContact CE1-CZ3 4.45Å; Y37-W48 HydrophobicContact CE2-CB 4.23Å; Y37-W48 HydrophobicContact CG-CB 3.93Å; Y37-L104 HydrophobicContact CE1-CD2 4.32Å; Y37-L106 HydrophobicContact CE1-CD1 4.45Å; Y37-L106 HydrophobicContact CE1-CD2 4.26Å; Y37-L106 HydrophobicContact CE2-CD2 3.86Å; Y37-L106 VanDerWaalsContact OH-CD2 3.22Å; Y37-L106 WeakPolarHBondContact OH-CD2 3.5Å |
| 38 | T | 95.1 | Very high | 91.3 | Very high | 39 Ų | 39 | 52.4 Ų | 52.4 | 24% | 0.239 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 148.5 | 176.6 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | M17 F36 L46 R47 | M17-T38 WeakPolarHBondContact O-CA 3.34Å; F36-T38 HydrophobicContact CD1-CG2 3.87Å; F36-T38 HydrophobicContact CE1-CG2 3.62Å; T38-L46 CarbonylContact O-C 3.45Å; T38-L46 WeakPolarHBondContact O-CA 3.07Å; T38-R47 PolarHBondContact N-O 3.37Å; T38-R47 PolarHBondContact O-N 3.05Å |
| 39 | L | 94.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.9 | 167.2 | 178.6 | 67.5 | 0 | 0 | 0 | 109.2 | L14 M17 Q18 L43 L46 V62 L124 | L14-L39 HydrophobicContact CD2-CD2 4.04Å; M17-L39 HydrophobicContact CB-CB 3.87Å; M17-L39 HydrophobicContact CB-CD2 4.15Å; M17-L39 HydrophobicContact CE-CB 4.46Å; M17-L39 HydrophobicContact CE-CD2 4.07Å; M17-L39 PolarHBondContact O-N 3.07Å; Q18-L39 HydrophobicContact CG-CB 4.21Å; Q18-L39 HydrophobicContact CG-CD2 4.29Å; Q18-L39 HydrophobicContact CG-CG 4.34Å; L39-L43 HydrophobicContact CD2-CD2 3.52Å; L39-L43 HydrophobicContact CG-CD2 4.16Å; L39-L46 HydrophobicContact CB-CD2 4.1Å; L39-L46 HydrophobicContact CD1-CD2 3.65Å; L39-L46 HydrophobicContact CG-CD2 4.47Å; L39-V62 HydrophobicContact CD1-CG2 4.16Å; L39-L124 HydrophobicContact CD1-CD1 4.05Å; L39-L124 HydrophobicContact CD2-CD1 4.03Å |
| 40 | D | 92.4 | Very high | 91.5 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | trans | -62.6 | 154.6 | 177.7 | -79.7 | -5.1 | 0 | 0 | 0 | 111.5 | Q18 D42 L43 C45 R47 | Q18-D40 PolarHBondContact NE2-O 2.85Å; D40-D42 WeakPolarHBondContact CB-OD1 3.32Å; D40-D42 PolarHBondContact O-N 3.43Å; D40-L43 WeakPolarHBondContact O-CA 3.46Å; D40-L43 PolarHBondContact O-N 3.32Å; D40-C45 PolarHBondContact N-O 3.33Å; D40-C45 WeakPolarHBondContact OD2-CB 3.49Å; D40-R47 VanDerWaalsContact CG-NE 3.31Å; D40-R47 VanDerWaalsContact OD1-CD 3.26Å; D40-R47 WeakPolarHBondContact OD1-CD 3.41Å; D40-R47 IonicContact OD1-CZ 2.81Å; D40-R47 IonicContact OD1-NE 3.28Å; D40-R47 PolarHBondContact OD1-NE 3.02Å; D40-R47 IonicContact OD2-CZ 2.84Å; D40-R47 VanDerWaalsContact OD2-CZ 3.32Å; D40-R47 IonicContact OD2-NE 3.62Å; D40-R47 PolarHBondContact OD2-NE 3.27Å; D40-R47 IonicContact OD2-NH2 2.66Å; D40-R47 PolarHBondContact OD2-NH2 3.39Å | ||
| 41 | T | 88.7 | Confident | 91.3 | Very high | 119 Ų | 119 | 53.5 Ų | 53.5 | 73% | 0.73 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -28 | -177.7 | 50 | 0 | 0 | 0 | 0 | 113.5 | Q18 L43 | Q18-T41 PolarHBondContact NE2-O 3.42Å; T41-L43 VanDerWaalsContact C-N 3.3Å |
| 42 | D | 88.7 | Confident | 90.8 | Very high | 67 Ų | 67 | 56.7 Ų | 56.7 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 5.7 | 175.4 | 69.8 | -8.1 | 0 | 0 | 0 | 113.6 | D40 S44 G132 | D40-D42 WeakPolarHBondContact CB-OD1 3.32Å; D40-D42 PolarHBondContact O-N 3.43Å; D42-S44 PolarHBondContact O-N 3.04Å; D42-S44 VanDerWaalsContact O-N 3.13Å; D42-S44 WeakPolarHBondContact OD1-CB 3.18Å; D42-S44 PolarHBondContact OD1-N 2.94Å; D42-S44 PolarHBondContact OD1-OG 3.2Å; D42-S44 PolarHBondContact OD2-OG 3.06Å; D42-G132 PolarHBondContact O-N 3.17Å |
| 43 | L | 91.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 61.8 | 14.3 | 179.8 | -46.5 | 173.3 | 0 | 0 | 0 | 114.1 | L14 Q18 L39 D40 T41 V62 L124 I130 | L14-L43 HydrophobicContact CD1-CD1 4.27Å; Q18-L43 HydrophobicContact CG-CD2 4.46Å; Q18-L43 VanDerWaalsContact NE2-CD2 3.31Å; L39-L43 HydrophobicContact CD2-CD2 3.52Å; L39-L43 HydrophobicContact CG-CD2 4.16Å; D40-L43 WeakPolarHBondContact O-CA 3.46Å; D40-L43 PolarHBondContact O-N 3.32Å; T41-L43 VanDerWaalsContact C-N 3.3Å; L43-V62 WeakPolarHBondContact O-CG2 3.46Å; L43-L124 HydrophobicContact CB-CD2 3.83Å; L43-L124 HydrophobicContact CD1-CD2 4.03Å; L43-L124 HydrophobicContact CG-CD2 4.38Å; L43-I130 HydrophobicContact CD1-CD1 4.29Å; L43-I130 HydrophobicContact CD1-CG1 4.1Å |
| 44 | S | 91.1 | Very high | 89.3 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 19% | 0.189 | 32% | 0.317 | C | S | . | . | trans | -85.4 | -29.2 | -171.2 | 71.4 | 0 | 0 | 0 | 0 | 113.9 | D42 V62 | D42-S44 PolarHBondContact O-N 3.04Å; D42-S44 VanDerWaalsContact O-N 3.13Å; D42-S44 WeakPolarHBondContact OD1-CB 3.18Å; D42-S44 PolarHBondContact OD1-N 2.94Å; D42-S44 PolarHBondContact OD1-OG 3.2Å; D42-S44 PolarHBondContact OD2-OG 3.06Å; S44-V62 WeakPolarHBondContact O-CB 3.44Å; S44-V62 WeakPolarHBondContact O-CG2 3.43Å; S44-V62 PolarHBondContact O-N 3.22Å | ||
| 45 | C | 93.6 | Very high | 88.3 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 143.1 | -171.1 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | D40 R59 L60 D61 | D40-C45 PolarHBondContact N-O 3.33Å; D40-C45 WeakPolarHBondContact OD2-CB 3.49Å; C45-R59 PolarHBondContact SG-NH2 2.82Å; C45-R59 VanDerWaalsContact SG-NH2 3.4Å; C45-L60 WeakPolarHBondContact CA-O 3.25Å; C45-D61 PolarHBondContact SG-OD1 3.25Å |
| 46 | L | 94.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 136.9 | 162.5 | -61.5 | 178.7 | 0 | 0 | 0 | 109.9 | M17 T38 L39 R59 L60 I65 I95 W117 L121 | M17-L46 HydrophobicContact CE-CD2 4.14Å; T38-L46 CarbonylContact O-C 3.45Å; T38-L46 WeakPolarHBondContact O-CA 3.07Å; L39-L46 HydrophobicContact CB-CD2 4.1Å; L39-L46 HydrophobicContact CD1-CD2 3.65Å; L39-L46 HydrophobicContact CG-CD2 4.47Å; L46-R59 CarbonylContact O-C 3.52Å; L46-R59 WeakPolarHBondContact O-CA 3.49Å; L46-L60 HydrophobicContact CB-CB 4.34Å; L46-L60 HydrophobicContact CD1-CD2 4.34Å; L46-L60 PolarHBondContact N-O 3.45Å; L46-L60 PolarHBondContact O-N 3.21Å; L46-I65 HydrophobicContact CD1-CD1 4.39Å; L46-I95 HydrophobicContact CD1-CD1 3.79Å; L46-W117 HydrophobicContact CD2-CZ3 3.82Å; L46-L121 HydrophobicContact CD1-CD2 3.69Å; L46-L121 HydrophobicContact CD2-CD2 4.16Å; L46-L121 HydrophobicContact CG-CD2 4.29Å |
| 47 | R | 93.6 | Very high | 86.6 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 25% | 0.253 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 156.3 | 176.4 | -61.5 | -172.8 | -173 | -96.1 | -5.8 | 111.1 | Y37 T38 D40 E56 A58 R59 | Y37-R47 VanDerWaalsContact CA-O 3.28Å; Y37-R47 WeakPolarHBondContact CA-O 3.41Å; T38-R47 PolarHBondContact N-O 3.37Å; T38-R47 PolarHBondContact O-N 3.05Å; D40-R47 VanDerWaalsContact CG-NE 3.31Å; D40-R47 VanDerWaalsContact OD1-CD 3.26Å; D40-R47 WeakPolarHBondContact OD1-CD 3.41Å; D40-R47 IonicContact OD1-CZ 2.81Å; D40-R47 IonicContact OD1-NE 3.28Å; D40-R47 PolarHBondContact OD1-NE 3.02Å; D40-R47 IonicContact OD2-CZ 2.84Å; D40-R47 VanDerWaalsContact OD2-CZ 3.32Å; D40-R47 IonicContact OD2-NE 3.62Å; D40-R47 PolarHBondContact OD2-NE 3.27Å; D40-R47 IonicContact OD2-NH2 2.66Å; D40-R47 PolarHBondContact OD2-NH2 3.39Å; R47-E56 IonicContact NH1-OE1 3.53Å; R47-A58 WeakPolarHBondContact CA-O 3.47Å; R47-R59 HydrophobicContact CG-CB 4.31Å |
| 48 | W | 94.1 | Very high | 86.2 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 11% | 0.114 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 145 | 174.3 | 62 | 79.6 | 0 | 0 | 0 | 115.3 | R35 F36 Y37 A58 R59 L60 L104 | R35-W48 HydrophobicContact CB-CB 4.22Å; F36-W48 CarbonylContact O-C 3.6Å; F36-W48 WeakPolarHBondContact O-CA 3.45Å; Y37-W48 HydrophobicContact CD1-CB 3.63Å; Y37-W48 HydrophobicContact CD1-CD2 4.4Å; Y37-W48 HydrophobicContact CD1-CE3 4Å; Y37-W48 HydrophobicContact CD1-CG 4.3Å; Y37-W48 HydrophobicContact CD2-CB 4.21Å; Y37-W48 HydrophobicContact CE1-CB 3.6Å; Y37-W48 AromaticContact CE1-CD2 3.75Å; Y37-W48 HydrophobicContact CE1-CD2 3.75Å; Y37-W48 AromaticContact CE1-CE3 3.51Å; Y37-W48 HydrophobicContact CE1-CE3 3.51Å; Y37-W48 AromaticContact CE1-CG 3.8Å; Y37-W48 HydrophobicContact CE1-CG 3.8Å; Y37-W48 HydrophobicContact CE1-CZ3 4.45Å; Y37-W48 HydrophobicContact CE2-CB 4.23Å; Y37-W48 HydrophobicContact CG-CB 3.93Å; W48-A58 PolarHBondContact N-O 3.5Å; W48-A58 VanDerWaalsContact N-O 3.13Å; W48-R59 VanDerWaalsContact CH2-C 3.5Å; W48-R59 VanDerWaalsContact CH2-O 3.32Å; W48-R59 WeakPolarHBondContact CH2-O 3.41Å; W48-R59 VanDerWaalsContact CZ3-C 3.49Å; W48-L60 HydrophobicContact CH2-CB 4.4Å; W48-L60 HydrophobicContact CZ3-CB 3.93Å; W48-L104 HydrophobicContact CZ3-CD2 4.45Å |
| 49 | E | 89.8 | Confident | 86.1 | Confident | 127 Ų | 127 | 72.5 Ų | 72.5 | 59% | 0.593 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 158.4 | 179 | 61.3 | 178.9 | -170.3 | 0 | 0 | 112.6 | R35 F36 | R35-E49 CarbonylContact C-O 3.55Å; R35-E49 VanDerWaalsContact CA-O 3.3Å; R35-E49 WeakPolarHBondContact CA-O 3.35Å; F36-E49 HydrophobicContact CB-CG 4.25Å; F36-E49 PolarHBondContact N-O 3.4Å; F36-E49 PolarHBondContact O-N 3.35Å |
| 50 | P | 84.8 | Confident | 86 | Confident | 94 Ų | 94 | 72.8 Ų | 72.8 | 61% | 0.61 | 36% | 0.363 | S | S | * | . | S | Bend | cis | -74.3 | 138.2 | -10.1 | 30.6 | -33.6 | 0 | 0 | 0 | 111.6 | R35 | R35-P50 WeakPolarHBondContact CD-O 3.4Å; R35-P50 PolarHBondContact NE-O 2.9Å |
| 51 | S | 80.1 | Confident | 86.1 | Confident | 42 Ų | 42 | 74 Ų | 74 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | trans | -121.1 | 143.3 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | K53 | S51-K53 PolarHBondContact O-N 3.22Å; S51-K53 PolarHBondContact OG-N 2.99Å | ||
| 52 | K | 76.7 | Confident | 86.2 | Confident | 215 Ų | 215 | 68.5 Ų | 68.5 | 94% | 0.935 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -75.3 | -11.3 | 170.4 | -68.4 | -170 | 178.5 | -171.9 | 0 | 112.7 | ||
| 53 | K | 77 | Confident | 86.4 | Confident | 108 Ų | 108 | 70.2 Ų | 70.2 | 47% | 0.47 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -87.3 | 149.9 | 173.6 | -56.4 | -177.1 | 173.6 | -173.2 | 0 | 108.3 | S51 R57 | S51-K53 PolarHBondContact O-N 3.22Å; S51-K53 PolarHBondContact OG-N 2.99Å; K53-R57 HydrophobicContact CB-CB 3.89Å; K53-R57 HydrophobicContact CD-CB 4.15Å |
| 54 | D | 72.9 | Confident | 86.5 | Confident | 122 Ų | 122 | 71.5 Ų | 71.5 | 65% | 0.652 | 36% | 0.362 | S | S | * | . | trans | -50.6 | 152.3 | 169.8 | -61.6 | -43.8 | 0 | 0 | 0 | 111.2 | E56 R57 A58 | D54-E56 PolarHBondContact O-N 3.16Å; D54-E56 VanDerWaalsContact O-N 3.17Å; D54-R57 CarbonylContact O-C 3.49Å; D54-R57 WeakPolarHBondContact O-CA 3.07Å; D54-R57 PolarHBondContact O-N 3.2Å; D54-A58 PolarHBondContact O-N 3.22Å | ||
| 55 | S | 71.1 | Confident | 86.6 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 62% | 0.622 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -52.9 | -37.6 | -178.5 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | R57 A58 | S55-R57 PolarHBondContact O-N 3.06Å; S55-A58 PolarHBondContact O-N 3.3Å |
| 56 | E | 73.4 | Confident | 86.6 | Confident | 112 Ų | 112 | 74.9 Ų | 74.9 | 52% | 0.523 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -67.5 | -14.6 | 175.5 | -73.7 | -53.7 | 121 | 0 | 0 | 114.6 | R47 D54 R59 | R47-E56 IonicContact NH1-OE1 3.53Å; D54-E56 PolarHBondContact O-N 3.16Å; D54-E56 VanDerWaalsContact O-N 3.17Å; E56-R59 WeakPolarHBondContact O-CD 3.46Å; E56-R59 WeakPolarHBondContact O-CG 3.27Å; E56-R59 IonicContact OE2-NH1 3.69Å; E56-R59 PolarHBondContact OE2-NH1 3.03Å |
| 57 | R | 78.2 | Confident | 86.4 | Confident | 173 Ų | 173 | 77.7 Ų | 77.7 | 65% | 0.653 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -109.3 | -2.1 | 178 | -59.1 | -174.6 | 84.9 | -175.5 | 8.9 | 112.7 | K53 D54 S55 | K53-R57 HydrophobicContact CB-CB 3.89Å; K53-R57 HydrophobicContact CD-CB 4.15Å; D54-R57 CarbonylContact O-C 3.49Å; D54-R57 WeakPolarHBondContact O-CA 3.07Å; D54-R57 PolarHBondContact O-N 3.2Å; S55-R57 PolarHBondContact O-N 3.06Å |
| 58 | A | 88.1 | Confident | 86.4 | Confident | 5 Ų | 5 | 75 Ų | 75 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -103.9 | 42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R47 W48 D54 S55 | R47-A58 WeakPolarHBondContact CA-O 3.47Å; W48-A58 PolarHBondContact N-O 3.5Å; W48-A58 VanDerWaalsContact N-O 3.13Å; D54-A58 PolarHBondContact O-N 3.22Å; S55-A58 PolarHBondContact O-N 3.3Å |
| 59 | R | 92.6 | Very high | 86.2 | Confident | 79 Ų | 79 | 78.2 Ų | 78.2 | 30% | 0.298 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 158.9 | -180 | 65.5 | -176.2 | -91.7 | -174.8 | -1.7 | 111.6 | C45 L46 R47 W48 E56 D61 | C45-R59 PolarHBondContact SG-NH2 2.82Å; C45-R59 VanDerWaalsContact SG-NH2 3.4Å; L46-R59 CarbonylContact O-C 3.52Å; L46-R59 WeakPolarHBondContact O-CA 3.49Å; R47-R59 HydrophobicContact CG-CB 4.31Å; W48-R59 VanDerWaalsContact CH2-C 3.5Å; W48-R59 VanDerWaalsContact CH2-O 3.32Å; W48-R59 WeakPolarHBondContact CH2-O 3.41Å; W48-R59 VanDerWaalsContact CZ3-C 3.49Å; E56-R59 WeakPolarHBondContact O-CD 3.46Å; E56-R59 WeakPolarHBondContact O-CG 3.27Å; E56-R59 IonicContact OE2-NH1 3.69Å; E56-R59 PolarHBondContact OE2-NH1 3.03Å; R59-D61 IonicContact CZ-OD1 2.73Å; R59-D61 VanDerWaalsContact CZ-OD1 3.28Å; R59-D61 IonicContact NE-OD1 2.68Å; R59-D61 PolarHBondContact NE-OD1 2.96Å; R59-D61 IonicContact NH2-OD1 2.84Å; R59-D61 PolarHBondContact NH2-OD1 3.3Å; R59-D61 IonicContact NH2-OD2 3.61Å |
| 60 | L | 93.9 | Very high | 86.1 | Confident | 11 Ų | 11 | 75 Ų | 75 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 119.1 | 168.7 | 178.5 | 69.6 | 0 | 0 | 0 | 108.6 | C45 L46 W48 V62 S64 I65 I95 H97 L104 | C45-L60 WeakPolarHBondContact CA-O 3.25Å; L46-L60 HydrophobicContact CB-CB 4.34Å; L46-L60 HydrophobicContact CD1-CD2 4.34Å; L46-L60 PolarHBondContact N-O 3.45Å; L46-L60 PolarHBondContact O-N 3.21Å; W48-L60 HydrophobicContact CH2-CB 4.4Å; W48-L60 HydrophobicContact CZ3-CB 3.93Å; L60-V62 PolarHBondContact O-N 2.82Å; L60-S64 WeakPolarHBondContact CD1-OG 3.32Å; L60-I65 HydrophobicContact CD2-CD1 4.2Å; L60-I65 HydrophobicContact CD2-CG1 4Å; L60-I65 HydrophobicContact CG-CG1 4.4Å; L60-I95 HydrophobicContact CD2-CG2 3.83Å; L60-H97 HydrophobicContact CD1-CB 3.81Å; L60-H97 VanDerWaalsContact CD1-CG 3.42Å; L60-H97 WeakPolarHBondContact CD1-ND1 3.45Å; L60-H97 HydrophobicContact CD2-CB 4.37Å; L60-L104 HydrophobicContact CD2-CD2 4.16Å |
| 61 | D | 93.1 | Very high | 86.2 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 31% | 0.31 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 130.2 | 177.8 | -61.2 | -20.1 | 0 | 0 | 0 | 109.5 | C45 R59 S63 S64 | C45-D61 PolarHBondContact SG-OD1 3.25Å; R59-D61 IonicContact CZ-OD1 2.73Å; R59-D61 VanDerWaalsContact CZ-OD1 3.28Å; R59-D61 IonicContact NE-OD1 2.68Å; R59-D61 PolarHBondContact NE-OD1 2.96Å; R59-D61 IonicContact NH2-OD1 2.84Å; R59-D61 PolarHBondContact NH2-OD1 3.3Å; R59-D61 IonicContact NH2-OD2 3.61Å; D61-S63 PolarHBondContact O-N 3.47Å; D61-S64 WeakPolarHBondContact O-CB 3.49Å; D61-S64 PolarHBondContact O-N 2.92Å; D61-S64 PolarHBondContact O-OG 3.24Å |
| 62 | V | 92.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -62.1 | -34.5 | -177.8 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | L39 L43 S44 L60 S64 I65 L124 I131 | L39-V62 HydrophobicContact CD1-CG2 4.16Å; L43-V62 WeakPolarHBondContact O-CG2 3.46Å; S44-V62 WeakPolarHBondContact O-CB 3.44Å; S44-V62 WeakPolarHBondContact O-CG2 3.43Å; S44-V62 PolarHBondContact O-N 3.22Å; L60-V62 PolarHBondContact O-N 2.82Å; V62-S64 PolarHBondContact O-N 3.18Å; V62-S64 VanDerWaalsContact O-N 3.16Å; V62-I65 HydrophobicContact CG1-CD1 4.46Å; V62-I65 WeakPolarHBondContact O-CB 3.37Å; V62-I65 PolarHBondContact O-N 3.39Å; V62-I65 VanDerWaalsContact O-N 3.07Å; V62-L124 HydrophobicContact CG1-CB 3.89Å; V62-L124 HydrophobicContact CG1-CD1 4.04Å; V62-L124 HydrophobicContact CG2-CD1 4.24Å; V62-I131 HydrophobicContact CB-CD1 4.4Å; V62-I131 HydrophobicContact CG1-CD1 3.67Å |
| 63 | S | 91.2 | Very high | 86.8 | Confident | 103 Ų | 103 | 63.5 Ų | 63.5 | 72% | 0.72 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -62.6 | -19.4 | 174.8 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | D61 | D61-S63 PolarHBondContact O-N 3.47Š|
| 64 | S | 93.6 | Very high | 87.3 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -87 | -12.3 | 177.2 | 77.5 | 0 | 0 | 0 | 0 | 113.4 | L60 D61 V62 H97 G98 | L60-S64 WeakPolarHBondContact CD1-OG 3.32Å; D61-S64 WeakPolarHBondContact O-CB 3.49Å; D61-S64 PolarHBondContact O-N 2.92Å; D61-S64 PolarHBondContact O-OG 3.24Å; V62-S64 PolarHBondContact O-N 3.18Å; V62-S64 VanDerWaalsContact O-N 3.16Å; S64-H97 CarbonylContact O-C 3.39Å; S64-H97 VanDerWaalsContact O-CA 3.3Å; S64-H97 WeakPolarHBondContact O-CA 3.47Å; S64-G98 PolarHBondContact O-N 3.19Å |
| 65 | I | 94.9 | Very high | 87.9 | Confident | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.046 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 130.9 | 179.6 | -58.4 | 175.5 | 0 | 0 | 0 | 108.7 | L46 L60 V62 V68 I95 L121 L125 | L46-I65 HydrophobicContact CD1-CD1 4.39Å; L60-I65 HydrophobicContact CD2-CD1 4.2Å; L60-I65 HydrophobicContact CD2-CG1 4Å; L60-I65 HydrophobicContact CG-CG1 4.4Å; V62-I65 HydrophobicContact CG1-CD1 4.46Å; V62-I65 WeakPolarHBondContact O-CB 3.37Å; V62-I65 PolarHBondContact O-N 3.39Å; V62-I65 VanDerWaalsContact O-N 3.07Å; I65-V68 HydrophobicContact CG2-CG2 4.31Å; I65-I95 HydrophobicContact CB-CG2 4.3Å; I65-I95 HydrophobicContact CD1-CG2 3.79Å; I65-I95 HydrophobicContact CG1-CG2 3.74Å; I65-I95 HydrophobicContact CG2-CG2 3.66Å; I65-L121 HydrophobicContact CD1-CD2 4.11Å; I65-L125 HydrophobicContact CB-CD2 3.95Å; I65-L125 HydrophobicContact CG2-CD1 3.89Å; I65-L125 HydrophobicContact CG2-CD2 3.94Å; I65-L125 HydrophobicContact CG2-CG 4.32Å; I65-L125 WeakPolarHBondContact O-CD2 3.44Å |
| 66 | K | 92.1 | Very high | 88.6 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 40% | 0.404 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -40 | 178 | -57 | -60.8 | -174.7 | 178.9 | 0 | 111.6 | I96 G98 D99 Y101 | K66-I96 PolarHBondContact N-O 3.43Å; K66-G98 VanDerWaalsContact CE-O 3.26Å; K66-G98 WeakPolarHBondContact CE-O 3.33Å; K66-D99 IonicContact NZ-OD1 3.12Å; K66-D99 PolarHBondContact NZ-OD1 2.84Å; K66-D99 VanDerWaalsContact NZ-OD1 3.12Å; K66-Y101 HydrophobicContact CB-CE1 4.36Å; K66-Y101 HydrophobicContact CG-CE1 4.39Å |
| 67 | E | 91.1 | Very high | 89.2 | Confident | 61 Ų | 61 | 50.9 Ų | 50.9 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 160.6 | -179.6 | 58.9 | 174.5 | 157 | 0 | 0 | 111.4 | R69 I96 | E67-R69 IonicContact OE1-CZ 3.87Å; E67-R69 IonicContact OE1-NE 2.73Å; E67-R69 PolarHBondContact OE1-NE 2.96Å; E67-R69 IonicContact OE1-NH2 2.72Å; E67-R69 PolarHBondContact OE1-NH2 3.46Å; E67-R69 IonicContact OE2-CZ 2.75Å; E67-R69 IonicContact OE2-NE 3.2Å; E67-R69 PolarHBondContact OE2-NE 3.24Å; E67-R69 IonicContact OE2-NH2 3.16Å; E67-I96 HydrophobicContact CG-CB 3.46Å; E67-I96 VanDerWaalsContact CG-CB 3.46Å; E67-I96 HydrophobicContact CG-CG1 3.55Å; E67-I96 HydrophobicContact CG-CG2 4.13Å; E67-I96 PolarHBondContact N-O 3.4Å; E67-I96 PolarHBondContact O-N 2.89Å |
| 68 | V | 92.2 | Very high | 89.4 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 117.9 | 172.8 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | I65 F93 S94 V118 L121 R122 L125 | I65-V68 HydrophobicContact CG2-CG2 4.31Å; V68-F93 HydrophobicContact CG1-CD2 4.47Å; V68-S94 WeakPolarHBondContact CA-O 3.44Å; V68-V118 HydrophobicContact CG1-CB 4.36Å; V68-V118 HydrophobicContact CG1-CG1 4.09Å; V68-V118 HydrophobicContact CG1-CG2 4.01Å; V68-L121 HydrophobicContact CG2-CB 3.78Å; V68-L121 HydrophobicContact CG2-CD1 4.29Å; V68-R122 HydrophobicContact CB-CG 4.23Å; V68-R122 PolarHBondContact O-NH2 2.84Å; V68-R122 VanDerWaalsContact O-NH2 3.08Å; V68-L125 HydrophobicContact CG2-CD1 4.08Å |
| 69 | R | 90.3 | Very high | 89 | Confident | 97 Ų | 97 | 55.4 Ų | 55.4 | 37% | 0.366 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134 | -179.4 | -60.6 | -174.5 | -178.6 | 173.6 | 4.8 | 110.1 | E67 S73 F93 S94 I96 | E67-R69 IonicContact OE1-CZ 3.87Å; E67-R69 IonicContact OE1-NE 2.73Å; E67-R69 PolarHBondContact OE1-NE 2.96Å; E67-R69 IonicContact OE1-NH2 2.72Å; E67-R69 PolarHBondContact OE1-NH2 3.46Å; E67-R69 IonicContact OE2-CZ 2.75Å; E67-R69 IonicContact OE2-NE 3.2Å; E67-R69 PolarHBondContact OE2-NE 3.24Å; E67-R69 IonicContact OE2-NH2 3.16Å; R69-S73 WeakPolarHBondContact CB-OG 3.45Å; R69-F93 CarbonylContact O-C 3.52Å; R69-F93 VanDerWaalsContact O-CA 3.26Å; R69-F93 WeakPolarHBondContact O-CA 3.44Å; R69-F93 WeakPolarHBondContact O-CB 3.47Å; R69-S94 PolarHBondContact N-O 3.25Å; R69-S94 PolarHBondContact O-N 2.95Å; R69-I96 HydrophobicContact CG-CG1 4.36Å |
| 70 | T | 88.3 | Confident | 88.2 | Confident | 61 Ų | 61 | 51.8 Ų | 51.8 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 159.6 | 172.7 | 49 | 0 | 0 | 0 | 0 | 110.6 | S73 V118 | T70-S73 PolarHBondContact O-OG 3.35Å; T70-V118 HydrophobicContact CG2-CB 4.49Å; T70-V118 HydrophobicContact CG2-CG1 3.8Å; T70-V118 HydrophobicContact CG2-CG2 4.08Å |
| 71 | G | 86.3 | Confident | 86.8 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 71 | -161.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S73 E89 A92 | G71-S73 PolarHBondContact O-N 3.4Å; G71-E89 WeakPolarHBondContact CA-O 3.48Å; G71-A92 WeakPolarHBondContact CA-O 3.11Å; G71-A92 PolarHBondContact N-O 2.9Å |
| 72 | K | 87.8 | Confident | 85.4 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -98.9 | 44.6 | -174.5 | -68.4 | 173.1 | -173.6 | 164.8 | 0 | 112.3 | T74 F77 S84 L87 E89 A92 | K72-T74 PolarHBondContact O-N 3.35Å; K72-F77 HydrophobicContact CB-CB 3.78Å; K72-F77 HydrophobicContact CB-CD1 4.43Å; K72-F77 HydrophobicContact CB-CD2 4.48Å; K72-F77 HydrophobicContact CB-CG 4.02Å; K72-F77 HydrophobicContact CG-CB 4.25Å; K72-F77 HydrophobicContact CG-CD1 3.98Å; K72-F77 HydrophobicContact CG-CE1 4.47Å; K72-F77 HydrophobicContact CG-CG 4.07Å; K72-S84 VanDerWaalsContact CE-O 3.26Å; K72-S84 WeakPolarHBondContact CE-O 3.46Å; K72-S84 PolarHBondContact NZ-O 3.44Å; K72-L87 WeakPolarHBondContact CE-O 3.34Å; K72-L87 PolarHBondContact NZ-O 2.94Å; K72-E89 HydrophobicContact CB-CG 4.49Å; K72-E89 HydrophobicContact CD-CB 4.13Å; K72-E89 HydrophobicContact CD-CG 4.26Å; K72-E89 HydrophobicContact CG-CB 4.41Å; K72-E89 HydrophobicContact CG-CG 4.17Å; K72-A92 HydrophobicContact CG-CB 3.97Å |
| 73 | S | 81.8 | Confident | 84.4 | Confident | 61 Ų | 61 | 57.7 Ų | 57.7 | 43% | 0.427 | 32% | 0.316 | S | S | . | . | trans | -85.2 | -2.3 | -167.7 | 57.1 | 0 | 0 | 0 | 0 | 115.5 | R69 T70 G71 | R69-S73 WeakPolarHBondContact CB-OG 3.45Å; T70-S73 PolarHBondContact O-OG 3.35Å; G71-S73 PolarHBondContact O-N 3.4Å | ||
| 74 | T | 87.4 | Confident | 83.1 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.043 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -98 | 157.5 | -178.2 | 64.5 | 0 | 0 | 0 | 0 | 113.1 | K72 T76 F77 L78 S94 I96 D105 | K72-T74 PolarHBondContact O-N 3.35Å; T74-T76 PolarHBondContact O-N 2.97Å; T74-F77 PolarHBondContact O-N 3.36Å; T74-F77 WeakPolarHBondContact OG1-CD2 3.41Å; T74-L78 WeakPolarHBondContact O-CG 3.37Å; T74-L78 PolarHBondContact O-N 3.31Å; T74-L78 VanDerWaalsContact O-N 3.09Å; T74-S94 VanDerWaalsContact CG2-CB 3.48Å; T74-S94 VanDerWaalsContact CG2-OG 3.26Å; T74-S94 WeakPolarHBondContact CG2-OG 3.32Å; T74-I96 HydrophobicContact CG2-CD1 4.15Å; T74-D105 WeakPolarHBondContact CB-OD1 3.39Å; T74-D105 WeakPolarHBondContact CG2-OD1 3.43Å; T74-D105 PolarHBondContact OG1-OD1 3.21Å |
| 75 | E | 85.3 | Confident | 81.7 | Confident | 149 Ų | 149 | 59.6 Ų | 59.6 | 70% | 0.696 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56.3 | -34.3 | 177.4 | -69 | -171.7 | 170.3 | 0 | 0 | 112.9 | F77 L78 H79 | E75-F77 PolarHBondContact O-N 3.4Å; E75-L78 PolarHBondContact O-N 3.39Å; E75-H79 WeakPolarHBondContact O-CB 3.31Å; E75-H79 PolarHBondContact O-N 3.4Å; E75-H79 PolarHBondContact O-ND1 3.32Å |
| 76 | T | 86.1 | Confident | 80.7 | Confident | 10 Ų | 10 | 67 Ų | 67 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | I26 P28 T74 N80 D105 | I26-T76 HydrophobicContact CB-CG2 4.49Å; I26-T76 HydrophobicContact CG2-CG2 4.02Å; P28-T76 HydrophobicContact CG-CG2 4.39Å; T74-T76 PolarHBondContact O-N 2.97Å; T76-N80 WeakPolarHBondContact O-CB 3.45Å; T76-N80 PolarHBondContact O-N 3.02Å; T76-N80 PolarHBondContact O-ND2 2.9Å; T76-D105 WeakPolarHBondContact CB-OD2 3.38Å; T76-D105 HydrophobicContact CG2-CB 4.23Å; T76-D105 WeakPolarHBondContact CG2-OD2 3.3Å; T76-D105 PolarHBondContact OG1-OD2 3.43Å |
| 77 | F | 86.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.7 | -35.7 | 178.5 | -79.1 | -67 | 0 | 0 | 0 | 111.9 | I26 K72 T74 E75 S84 L87 A92 D105 V107 | I26-F77 HydrophobicContact CB-CE1 4.36Å; I26-F77 HydrophobicContact CG1-CE1 3.78Å; I26-F77 HydrophobicContact CG1-CZ 4.06Å; K72-F77 HydrophobicContact CB-CB 3.78Å; K72-F77 HydrophobicContact CB-CD1 4.43Å; K72-F77 HydrophobicContact CB-CD2 4.48Å; K72-F77 HydrophobicContact CB-CG 4.02Å; K72-F77 HydrophobicContact CG-CB 4.25Å; K72-F77 HydrophobicContact CG-CD1 3.98Å; K72-F77 HydrophobicContact CG-CE1 4.47Å; K72-F77 HydrophobicContact CG-CG 4.07Å; T74-F77 PolarHBondContact O-N 3.36Å; T74-F77 WeakPolarHBondContact OG1-CD2 3.41Å; E75-F77 PolarHBondContact O-N 3.4Å; F77-S84 WeakPolarHBondContact O-CB 3.49Å; F77-S84 PolarHBondContact O-OG 3.12Å; F77-L87 HydrophobicContact CE1-CD1 4.32Å; F77-A92 HydrophobicContact CE1-CB 4.28Å; F77-A92 HydrophobicContact CE2-CB 4.43Å; F77-A92 HydrophobicContact CZ-CB 3.96Å; F77-D105 HydrophobicContact CD2-CB 4.26Å; F77-D105 HydrophobicContact CE2-CB 3.69Å; F77-D105 HydrophobicContact CZ-CB 4.09Å; F77-V107 HydrophobicContact CE1-CG2 3.73Å; F77-V107 HydrophobicContact CZ-CG2 3.82Å |
| 78 | L | 82 | Confident | 79.5 | Confident | 123 Ų | 123 | 63.1 Ų | 63.1 | 64% | 0.644 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.6 | -40.2 | 179 | -65.4 | 171 | 0 | 0 | 0 | 112.8 | T74 E75 N80 | T74-L78 WeakPolarHBondContact O-CG 3.37Å; T74-L78 PolarHBondContact O-N 3.31Å; T74-L78 VanDerWaalsContact O-N 3.09Å; E75-L78 PolarHBondContact O-N 3.39Å; L78-N80 VanDerWaalsContact C-N 3.35Å; L78-N80 PolarHBondContact O-N 3.49Å |
| 79 | H | 79.5 | Confident | 79.2 | Confident | 149 Ų | 149 | 67.8 Ų | 67.8 | 69% | 0.69 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -76.1 | -20.3 | -178.5 | -78.4 | 76.5 | 0 | 0 | 0 | 113.7 | E75 G81 | E75-H79 WeakPolarHBondContact O-CB 3.31Å; E75-H79 PolarHBondContact O-N 3.4Å; E75-H79 PolarHBondContact O-ND1 3.32Å; H79-G81 PolarHBondContact O-N 3.11Å |
| 80 | N | 75.2 | Confident | 78.7 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 18.8 | -178.9 | -79.4 | -42.5 | 0 | 0 | 0 | 114.1 | R27 S30 T76 L78 P82 L83 S84 | R27-N80 PolarHBondContact O-ND2 3.02Å; S30-N80 WeakPolarHBondContact CA-OD1 3.39Å; S30-N80 WeakPolarHBondContact CB-OD1 3.4Å; S30-N80 PolarHBondContact N-OD1 3.13Å; S30-N80 PolarHBondContact OG-OD1 2.94Å; T76-N80 WeakPolarHBondContact O-CB 3.45Å; T76-N80 PolarHBondContact O-N 3.02Å; T76-N80 PolarHBondContact O-ND2 2.9Å; L78-N80 VanDerWaalsContact C-N 3.35Å; L78-N80 PolarHBondContact O-N 3.49Å; N80-P82 WeakPolarHBondContact O-CD 3.22Å; N80-L83 PolarHBondContact O-N 3.09Å; N80-S84 PolarHBondContact O-N 3.23Å; N80-S84 VanDerWaalsContact O-N 3.08Å |
| 81 | G | 65.5 | Low | 78.8 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -2.6 | -81.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | H79 L83 S84 E85 | H79-G81 PolarHBondContact O-N 3.11Å; G81-L83 VanDerWaalsContact C-N 3.29Å; G81-L83 PolarHBondContact O-N 3Å; G81-S84 WeakPolarHBondContact O-CB 3.37Å; G81-S84 PolarHBondContact O-N 2.86Å; G81-E85 PolarHBondContact O-N 3.19Å |
| 82 | P | 64.6 | Low | 79 | Confident | 103 Ų | 103 | 63.8 Ų | 63.8 | 67% | 0.669 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.6 | -35.1 | -173.7 | -19.4 | 29.9 | 0 | 0 | 0 | 113.9 | N80 H86 | N80-P82 WeakPolarHBondContact O-CD 3.22Å; P82-H86 PolarHBondContact O-CE1 2.75Å; P82-H86 PolarHBondContact O-ND1 2.84Å |
| 83 | L | 70.3 | Confident | 79.4 | Confident | 65 Ų | 65 | 62.1 Ų | 62.1 | 34% | 0.34 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -80 | -31.3 | 179.1 | -158.1 | 119.2 | 0 | 0 | 0 | 111.2 | V32 N80 G81 H86 L87 | V32-L83 HydrophobicContact CG2-CD2 3.55Å; N80-L83 PolarHBondContact O-N 3.09Å; G81-L83 VanDerWaalsContact C-N 3.29Å; G81-L83 PolarHBondContact O-N 3Å; L83-H86 PolarHBondContact O-N 3.4Å; L83-L87 HydrophobicContact CD2-CD1 4.24Å; L83-L87 WeakPolarHBondContact O-CG 3.23Å |
| 84 | S | 63.8 | Low | 80 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.9 | -36.1 | 178.3 | -163.9 | 0 | 0 | 0 | 0 | 112.5 | K72 F77 N80 G81 H86 L87 | K72-S84 VanDerWaalsContact CE-O 3.26Å; K72-S84 WeakPolarHBondContact CE-O 3.46Å; K72-S84 PolarHBondContact NZ-O 3.44Å; F77-S84 WeakPolarHBondContact O-CB 3.49Å; F77-S84 PolarHBondContact O-OG 3.12Å; N80-S84 PolarHBondContact O-N 3.23Å; N80-S84 VanDerWaalsContact O-N 3.08Å; G81-S84 WeakPolarHBondContact O-CB 3.37Å; G81-S84 PolarHBondContact O-N 2.86Å; S84-H86 VanDerWaalsContact C-N 3.27Å; S84-H86 PolarHBondContact O-N 3.5Å; S84-L87 PolarHBondContact O-N 2.8Å |
| 85 | E | 65.8 | Low | 80.4 | Confident | 161 Ų | 161 | 59 Ų | 59 | 75% | 0.752 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.1 | -31.2 | 176.5 | -74.6 | 178.4 | 178.4 | 0 | 0 | 113.2 | G81 | G81-E85 PolarHBondContact O-N 3.19Å |
| 86 | H | 73 | Confident | 80.9 | Confident | 164 Ų | 164 | 52.1 Ų | 52.1 | 76% | 0.759 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -11 | -178.2 | -66.3 | 83 | 0 | 0 | 0 | 114.1 | P82 L83 S84 | P82-H86 PolarHBondContact O-CE1 2.75Å; P82-H86 PolarHBondContact O-ND1 2.84Å; L83-H86 PolarHBondContact O-N 3.4Å; S84-H86 VanDerWaalsContact C-N 3.27Å; S84-H86 PolarHBondContact O-N 3.5Å |
| 87 | L | 80.2 | Confident | 81.3 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 13% | 0.131 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -85.5 | 138.9 | 176.8 | -65.4 | 165.7 | 0 | 0 | 0 | 108.7 | I26 K72 F77 L83 S84 E89 V107 | I26-L87 HydrophobicContact CD1-CD1 3.99Å; I26-L87 HydrophobicContact CG1-CD1 4.42Å; K72-L87 WeakPolarHBondContact CE-O 3.34Å; K72-L87 PolarHBondContact NZ-O 2.94Å; F77-L87 HydrophobicContact CE1-CD1 4.32Å; L83-L87 HydrophobicContact CD2-CD1 4.24Å; L83-L87 WeakPolarHBondContact O-CG 3.23Å; S84-L87 PolarHBondContact O-N 2.8Å; L87-E89 PolarHBondContact O-N 3.41Å; L87-V107 HydrophobicContact CD1-CG2 4.16Å; L87-V107 HydrophobicContact CD2-CG1 4.25Å; L87-V107 HydrophobicContact CD2-CG2 4.33Å |
| 88 | A | 78.6 | Confident | 81.6 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 39% | 0.388 | 29% | 0.291 | S | S | . | . | trans | -65.6 | 128.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | E90 A91 A92 | A88-E90 VanDerWaalsContact C-N 3.33Å; A88-E90 HydrophobicContact CB-CG 4.46Å; A88-A91 HydrophobicContact CB-CB 3.98Å; A88-A91 PolarHBondContact O-N 2.99Å; A88-A92 PolarHBondContact O-N 3.06Å | ||
| 89 | E | 84.3 | Confident | 82 | Confident | 109 Ų | 109 | 54.8 Ų | 54.8 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -68.9 | -39 | 179.8 | 180 | 171 | 177.6 | 0 | 0 | 110.8 | G71 K72 L87 A91 A92 | G71-E89 WeakPolarHBondContact CA-O 3.48Å; K72-E89 HydrophobicContact CB-CG 4.49Å; K72-E89 HydrophobicContact CD-CB 4.13Å; K72-E89 HydrophobicContact CD-CG 4.26Å; K72-E89 HydrophobicContact CG-CB 4.41Å; K72-E89 HydrophobicContact CG-CG 4.17Å; L87-E89 PolarHBondContact O-N 3.41Å; E89-A91 PolarHBondContact O-N 2.65Å; E89-A92 WeakPolarHBondContact O-CB 3.35Å; E89-A92 PolarHBondContact O-N 3.36Å |
| 90 | E | 81.3 | Confident | 82.6 | Confident | 79 Ų | 79 | 55 Ų | 55 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.2 | 177.2 | 35.1 | -74 | 122.3 | 0 | 0 | 113.5 | A88 A111 | A88-E90 VanDerWaalsContact C-N 3.33Å; A88-E90 HydrophobicContact CB-CG 4.46Å; E90-A111 HydrophobicContact CB-CB 4.02Å; E90-A111 HydrophobicContact CG-CB 4.44Å |
| 91 | A | 88.9 | Confident | 83.3 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A88 E89 V107 A108 | A88-A91 HydrophobicContact CB-CB 3.98Å; A88-A91 PolarHBondContact O-N 2.99Å; E89-A91 PolarHBondContact O-N 2.65Å; A91-V107 HydrophobicContact CB-CG1 4.21Å; A91-V107 WeakPolarHBondContact O-CA 3.39Å; A91-A108 PolarHBondContact O-N 3.32Å |
| 92 | A | 91.9 | Very high | 84.6 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 3% | 0.025 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 142 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G71 K72 F77 A88 E89 L106 V107 | G71-A92 WeakPolarHBondContact CA-O 3.11Å; G71-A92 PolarHBondContact N-O 2.9Å; K72-A92 HydrophobicContact CG-CB 3.97Å; F77-A92 HydrophobicContact CE1-CB 4.28Å; F77-A92 HydrophobicContact CE2-CB 4.43Å; F77-A92 HydrophobicContact CZ-CB 3.96Å; A88-A92 PolarHBondContact O-N 3.06Å; E89-A92 WeakPolarHBondContact O-CB 3.35Å; E89-A92 PolarHBondContact O-N 3.36Å; A92-L106 WeakPolarHBondContact CA-O 3.38Å; A92-V107 HydrophobicContact CB-CG2 4.16Å |
| 93 | F | 94.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 160.6 | 171.3 | 66.8 | -80.6 | 0 | 0 | 0 | 110.8 | L23 V68 R69 I95 L106 A114 W117 V118 L121 | L23-F93 HydrophobicContact CD1-CZ 3.99Å; V68-F93 HydrophobicContact CG1-CD2 4.47Å; R69-F93 CarbonylContact O-C 3.52Å; R69-F93 VanDerWaalsContact O-CA 3.26Å; R69-F93 WeakPolarHBondContact O-CA 3.44Å; R69-F93 WeakPolarHBondContact O-CB 3.47Å; F93-I95 HydrophobicContact CD2-CG1 4.41Å; F93-I95 HydrophobicContact CE2-CD1 4.37Å; F93-I95 HydrophobicContact CE2-CG1 4.28Å; F93-L106 HydrophobicContact CD1-CB 4.38Å; F93-L106 HydrophobicContact CE1-CB 3.98Å; F93-L106 HydrophobicContact CE2-CB 4.18Å; F93-L106 HydrophobicContact CE2-CD1 3.71Å; F93-L106 HydrophobicContact CE2-CG 4.48Å; F93-L106 HydrophobicContact CZ-CB 3.88Å; F93-L106 HydrophobicContact CZ-CD1 3.75Å; F93-L106 HydrophobicContact CZ-CG 4.45Å; F93-L106 PolarHBondContact N-O 2.81Å; F93-L106 PolarHBondContact O-N 2.7Å; F93-A114 HydrophobicContact CD1-CB 3.98Å; F93-A114 HydrophobicContact CE1-CB 4.36Å; F93-W117 HydrophobicContact CE1-CB 4.3Å; F93-W117 HydrophobicContact CE2-CB 4.21Å; F93-W117 HydrophobicContact CZ-CB 3.74Å; F93-W117 HydrophobicContact CZ-CG 4.23Å; F93-V118 HydrophobicContact CB-CG2 3.63Å; F93-V118 HydrophobicContact CD1-CG2 4.37Å; F93-V118 HydrophobicContact CD2-CG2 3.95Å; F93-V118 HydrophobicContact CG-CG2 3.74Å; F93-L121 HydrophobicContact CE2-CD1 4.32Å |
| 94 | S | 95.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 134.9 | -178.6 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | V68 R69 T74 L104 D105 | V68-S94 WeakPolarHBondContact CA-O 3.44Å; R69-S94 PolarHBondContact N-O 3.25Å; R69-S94 PolarHBondContact O-N 2.95Å; T74-S94 VanDerWaalsContact CG2-CB 3.48Å; T74-S94 VanDerWaalsContact CG2-OG 3.26Å; T74-S94 WeakPolarHBondContact CG2-OG 3.32Å; S94-L104 WeakPolarHBondContact CA-O 3.16Å; S94-D105 WeakPolarHBondContact CB-OD1 3.44Å; S94-D105 PolarHBondContact OG-OD1 3.36Å |
| 95 | I | 96.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 116.3 | 173.3 | -51.9 | 173.8 | 0 | 0 | 0 | 107.3 | L46 L60 I65 F93 L104 L106 L121 | L46-I95 HydrophobicContact CD1-CD1 3.79Å; L60-I95 HydrophobicContact CD2-CG2 3.83Å; I65-I95 HydrophobicContact CB-CG2 4.3Å; I65-I95 HydrophobicContact CD1-CG2 3.79Å; I65-I95 HydrophobicContact CG1-CG2 3.74Å; I65-I95 HydrophobicContact CG2-CG2 3.66Å; F93-I95 HydrophobicContact CD2-CG1 4.41Å; F93-I95 HydrophobicContact CE2-CD1 4.37Å; F93-I95 HydrophobicContact CE2-CG1 4.28Å; I95-L104 HydrophobicContact CB-CB 4.23Å; I95-L104 HydrophobicContact CD1-CD2 4.24Å; I95-L104 PolarHBondContact N-O 3Å; I95-L104 PolarHBondContact O-N 3.04Å; I95-L106 HydrophobicContact CD1-CD1 4.11Å; I95-L121 HydrophobicContact CD1-CD1 3.52Å; I95-L121 HydrophobicContact CG1-CD1 3.87Å |
| 96 | I | 95.4 | Very high | 90 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 126.2 | 177.2 | -49.5 | -57.1 | 0 | 0 | 0 | 108 | K66 E67 R69 T74 Y101 Q102 | K66-I96 PolarHBondContact N-O 3.43Å; E67-I96 HydrophobicContact CG-CB 3.46Å; E67-I96 VanDerWaalsContact CG-CB 3.46Å; E67-I96 HydrophobicContact CG-CG1 3.55Å; E67-I96 HydrophobicContact CG-CG2 4.13Å; E67-I96 PolarHBondContact N-O 3.4Å; E67-I96 PolarHBondContact O-N 2.89Å; R69-I96 HydrophobicContact CG-CG1 4.36Å; T74-I96 HydrophobicContact CG2-CD1 4.15Å; I96-Y101 HydrophobicContact CG2-CD1 3.83Å; I96-Y101 HydrophobicContact CG2-CG 4.36Å; I96-Q102 WeakPolarHBondContact CA-O 3.4Å |
| 97 | H | 94.9 | Very high | 90.9 | Very high | 32 Ų | 32 | 44 Ų | 44 | 15% | 0.148 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 162.9 | -169.3 | 72 | 82.7 | 0 | 0 | 0 | 113.6 | L60 S64 Q102 | L60-H97 HydrophobicContact CD1-CB 3.81Å; L60-H97 VanDerWaalsContact CD1-CG 3.42Å; L60-H97 WeakPolarHBondContact CD1-ND1 3.45Å; L60-H97 HydrophobicContact CD2-CB 4.37Å; S64-H97 CarbonylContact O-C 3.39Å; S64-H97 VanDerWaalsContact O-CA 3.3Å; S64-H97 WeakPolarHBondContact O-CA 3.47Å; H97-Q102 PolarHBondContact CD2-O 3.39Å; H97-Q102 PolarHBondContact N-O 2.81Å; H97-Q102 PolarHBondContact O-N 3.32Å |
| 98 | G | 92.2 | Very high | 91.5 | Very high | 20 Ų | 20 | 43 Ų | 43 | 21% | 0.206 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 175.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S64 K66 E100 Y101 | S64-G98 PolarHBondContact O-N 3.19Å; K66-G98 VanDerWaalsContact CE-O 3.26Å; K66-G98 WeakPolarHBondContact CE-O 3.33Å; G98-E100 VanDerWaalsContact C-N 3.3Å; G98-Y101 PolarHBondContact O-N 2.84Å |
| 99 | D | 90.5 | Very high | 91.9 | Very high | 137 Ų | 137 | 48.1 Ų | 48.1 | 73% | 0.733 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -17 | -177.1 | -59.4 | -35.9 | 0 | 0 | 0 | 112.9 | K66 Y101 | K66-D99 IonicContact NZ-OD1 3.12Å; K66-D99 PolarHBondContact NZ-OD1 2.84Å; K66-D99 VanDerWaalsContact NZ-OD1 3.12Å; D99-Y101 VanDerWaalsContact C-N 3.33Å |
| 100 | E | 91.5 | Very high | 91.8 | Very high | 155 Ų | 155 | 45 Ų | 45 | 72% | 0.724 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 5.9 | 173.5 | -64.4 | -176.3 | 170.1 | 0 | 0 | 113.3 | G98 Q102 | G98-E100 VanDerWaalsContact C-N 3.3Å; E100-Q102 VanDerWaalsContact C-N 3.3Å; E100-Q102 HydrophobicContact CB-CG 4.1Å; E100-Q102 PolarHBondContact O-N 3.23Å; E100-Q102 PolarHBondContact OE2-NE2 2.96Å |
| 101 | Y | 89.9 | Confident | 91.8 | Very high | 151 Ų | 151 | 41.8 Ų | 41.8 | 59% | 0.592 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 45.3 | -178.9 | -67.6 | -98 | 0 | 0 | 0 | 113.3 | K66 I96 G98 D99 | K66-Y101 HydrophobicContact CB-CE1 4.36Å; K66-Y101 HydrophobicContact CG-CE1 4.39Å; I96-Y101 HydrophobicContact CG2-CD1 3.83Å; I96-Y101 HydrophobicContact CG2-CG 4.36Å; G98-Y101 PolarHBondContact O-N 2.84Å; D99-Y101 VanDerWaalsContact C-N 3.33Å |
| 102 | Q | 92.6 | Very high | 91.4 | Very high | 97 Ų | 97 | 44.4 Ų | 44.4 | 45% | 0.453 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 143.6 | 178.6 | -63.9 | 177.9 | -6.6 | 0 | 0 | 110.3 | I96 H97 E100 | I96-Q102 WeakPolarHBondContact CA-O 3.4Å; H97-Q102 PolarHBondContact CD2-O 3.39Å; H97-Q102 PolarHBondContact N-O 2.81Å; H97-Q102 PolarHBondContact O-N 3.32Å; E100-Q102 VanDerWaalsContact C-N 3.3Å; E100-Q102 HydrophobicContact CB-CG 4.1Å; E100-Q102 PolarHBondContact O-N 3.23Å; E100-Q102 PolarHBondContact OE2-NE2 2.96Å |
| 103 | S | 93.3 | Very high | 91.2 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133 | 178 | 68.1 | 0 | 0 | 0 | 0 | 112.7 | D105 | S103-D105 PolarHBondContact OG-OD2 3.42Å |
| 104 | L | 94.6 | Very high | 91 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 97.7 | 161.8 | 175.3 | 58.7 | 0 | 0 | 0 | 108.4 | K25 Y37 W48 L60 S94 I95 L106 | K25-L104 HydrophobicContact CD-CD1 4Å; K25-L104 HydrophobicContact CG-CD1 4.15Å; Y37-L104 HydrophobicContact CE1-CD2 4.32Å; W48-L104 HydrophobicContact CZ3-CD2 4.45Å; L60-L104 HydrophobicContact CD2-CD2 4.16Å; S94-L104 WeakPolarHBondContact CA-O 3.16Å; I95-L104 HydrophobicContact CB-CB 4.23Å; I95-L104 HydrophobicContact CD1-CD2 4.24Å; I95-L104 PolarHBondContact N-O 3Å; I95-L104 PolarHBondContact O-N 3.04Å; L104-L106 HydrophobicContact CD1-CD2 3.99Å; L104-L106 HydrophobicContact CD1-CG 4.48Å; L104-L106 HydrophobicContact CD2-CD1 4.36Å; L104-L106 HydrophobicContact CG-CD1 4.18Å; L104-L106 HydrophobicContact CG-CD2 4.11Å; L104-L106 HydrophobicContact CG-CG 4.09Å |
| 105 | D | 94.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121.1 | -175.4 | -58.2 | -64.8 | 0 | 0 | 0 | 111.3 | I26 T74 T76 F77 S94 S103 | I26-D105 HydrophobicContact CB-CB 4.28Å; I26-D105 PolarHBondContact N-O 3.48Å; T74-D105 WeakPolarHBondContact CB-OD1 3.39Å; T74-D105 WeakPolarHBondContact CG2-OD1 3.43Å; T74-D105 PolarHBondContact OG1-OD1 3.21Å; T76-D105 WeakPolarHBondContact CB-OD2 3.38Å; T76-D105 HydrophobicContact CG2-CB 4.23Å; T76-D105 WeakPolarHBondContact CG2-OD2 3.3Å; T76-D105 PolarHBondContact OG1-OD2 3.43Å; F77-D105 HydrophobicContact CD2-CB 4.26Å; F77-D105 HydrophobicContact CE2-CB 3.69Å; F77-D105 HydrophobicContact CZ-CB 4.09Å; S94-D105 WeakPolarHBondContact CB-OD1 3.44Å; S94-D105 PolarHBondContact OG-OD1 3.36Å; S103-D105 PolarHBondContact OG-OD2 3.42Å |
| 106 | L | 95.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.2 | -170.3 | -58.9 | 176.2 | 0 | 0 | 0 | 111.5 | L23 K24 K25 Y37 A92 F93 I95 L104 | L23-L106 HydrophobicContact CD1-CD1 4.06Å; K24-L106 CarbonylContact O-C 3.51Å; K24-L106 WeakPolarHBondContact O-CA 3.47Å; K25-L106 HydrophobicContact CB-CD2 4.13Å; K25-L106 HydrophobicContact CG-CD2 4.38Å; Y37-L106 HydrophobicContact CE1-CD1 4.45Å; Y37-L106 HydrophobicContact CE1-CD2 4.26Å; Y37-L106 HydrophobicContact CE2-CD2 3.86Å; Y37-L106 VanDerWaalsContact OH-CD2 3.22Å; Y37-L106 WeakPolarHBondContact OH-CD2 3.5Å; A92-L106 WeakPolarHBondContact CA-O 3.38Å; F93-L106 HydrophobicContact CD1-CB 4.38Å; F93-L106 HydrophobicContact CE1-CB 3.98Å; F93-L106 HydrophobicContact CE2-CB 4.18Å; F93-L106 HydrophobicContact CE2-CD1 3.71Å; F93-L106 HydrophobicContact CE2-CG 4.48Å; F93-L106 HydrophobicContact CZ-CB 3.88Å; F93-L106 HydrophobicContact CZ-CD1 3.75Å; F93-L106 HydrophobicContact CZ-CG 4.45Å; F93-L106 PolarHBondContact N-O 2.81Å; F93-L106 PolarHBondContact O-N 2.7Å; I95-L106 HydrophobicContact CD1-CD1 4.11Å; L104-L106 HydrophobicContact CD1-CD2 3.99Å; L104-L106 HydrophobicContact CD1-CG 4.48Å; L104-L106 HydrophobicContact CD2-CD1 4.36Å; L104-L106 HydrophobicContact CG-CD1 4.18Å; L104-L106 HydrophobicContact CG-CD2 4.11Å; L104-L106 HydrophobicContact CG-CG 4.09Å |
| 107 | V | 93.6 | Very high | 90.2 | Very high | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 122.3 | 170.6 | -175.6 | 0 | 0 | 0 | 0 | 109 | K24 I26 F77 L87 A91 A92 | K24-V107 HydrophobicContact CB-CB 4.24Å; K24-V107 WeakPolarHBondContact CB-O 3.44Å; K24-V107 PolarHBondContact N-O 3.08Å; K24-V107 PolarHBondContact O-N 2.99Å; I26-V107 HydrophobicContact CD1-CG2 4.14Å; I26-V107 HydrophobicContact CG1-CG2 3.93Å; F77-V107 HydrophobicContact CE1-CG2 3.73Å; F77-V107 HydrophobicContact CZ-CG2 3.82Å; L87-V107 HydrophobicContact CD1-CG2 4.16Å; L87-V107 HydrophobicContact CD2-CG1 4.25Å; L87-V107 HydrophobicContact CD2-CG2 4.33Å; A91-V107 HydrophobicContact CB-CG1 4.21Å; A91-V107 WeakPolarHBondContact O-CA 3.39Å; A92-V107 HydrophobicContact CB-CG2 4.16Å |
| 108 | A | 92.6 | Very high | 90 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 5% | 0.05 | 25% | 0.245 | C | C | . | . | trans | -79.5 | 172.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L23 A91 S110 V113 A114 | L23-A108 HydrophobicContact CD2-CB 3.75Å; A91-A108 PolarHBondContact O-N 3.32Å; A108-S110 VanDerWaalsContact C-N 3.33Å; A108-S110 WeakPolarHBondContact CB-O 3.49Å; A108-V113 HydrophobicContact CB-CB 3.92Å; A108-V113 HydrophobicContact CB-CG1 3.82Å; A108-A114 HydrophobicContact CB-CB 3.9Å | ||
| 109 | L | 86.6 | Confident | 89.8 | Confident | 153 Ų | 153 | 46.1 Ų | 46.1 | 80% | 0.801 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -70.3 | -31.9 | 175.4 | -173.7 | 66.5 | 0 | 0 | 0 | 112.2 | ||
| 110 | S | 82.8 | Confident | 89.8 | Confident | 44 Ų | 44 | 39.6 Ų | 39.6 | 31% | 0.308 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -145.6 | 165.5 | 178.8 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | A108 D112 V113 A114 | A108-S110 VanDerWaalsContact C-N 3.33Å; A108-S110 WeakPolarHBondContact CB-O 3.49Å; S110-D112 VanDerWaalsContact C-N 3.28Å; S110-D112 PolarHBondContact O-N 2.91Å; S110-V113 PolarHBondContact O-N 2.83Å; S110-V113 PolarHBondContact OG-N 2.96Å; S110-A114 PolarHBondContact O-N 2.94Å; S110-A114 VanDerWaalsContact O-N 3.17Å |
| 111 | A | 80.7 | Confident | 89.7 | Confident | 12 Ų | 12 | 32.2 Ų | 32.2 | 10% | 0.099 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -38.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E90 V113 A114 N115 D755 | E90-A111 HydrophobicContact CB-CB 4.02Å; E90-A111 HydrophobicContact CG-CB 4.44Å; A111-V113 PolarHBondContact O-N 3.06Å; A111-A114 WeakPolarHBondContact O-CB 3.27Å; A111-A114 PolarHBondContact O-N 3.46Å; A111-A114 VanDerWaalsContact O-N 3.16Å; A111-N115 WeakPolarHBondContact O-CB 3.18Å; A111-N115 VanDerWaalsContact O-CG 3.31Å; A111-N115 PolarHBondContact O-N 3.39Å; A111-N115 PolarHBondContact O-ND2 3.23Å; A111-D755 WeakPolarHBondContact CB-OD2 3.26Å |
| 112 | D | 81 | Confident | 89.7 | Confident | 59 Ų | 59 | 27.7 Ų | 27.7 | 32% | 0.316 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.4 | -46 | 177.2 | -62 | -34.9 | 0 | 0 | 0 | 112.2 | S110 A114 N115 I116 | S110-D112 VanDerWaalsContact C-N 3.28Å; S110-D112 PolarHBondContact O-N 2.91Å; D112-A114 VanDerWaalsContact C-N 3.32Å; D112-A114 PolarHBondContact O-N 2.89Å; D112-N115 PolarHBondContact O-N 3.33Å; D112-I116 VanDerWaalsContact O-CG1 3.25Å; D112-I116 WeakPolarHBondContact O-CG1 3.41Å; D112-I116 PolarHBondContact O-N 3.33Å |
| 113 | V | 88 | Confident | 89.4 | Confident | 23 Ų | 23 | 23.5 Ų | 23.5 | 14% | 0.139 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 177.5 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | F16 L23 A108 S110 A111 I116 W117 | F16-V113 HydrophobicContact CE1-CG1 4.29Å; F16-V113 HydrophobicContact CZ-CG2 4.36Å; L23-V113 HydrophobicContact CD2-CG1 4.13Å; A108-V113 HydrophobicContact CB-CB 3.92Å; A108-V113 HydrophobicContact CB-CG1 3.82Å; S110-V113 PolarHBondContact O-N 2.83Å; S110-V113 PolarHBondContact OG-N 2.96Å; A111-V113 PolarHBondContact O-N 3.06Å; V113-I116 PolarHBondContact O-N 3.38Å; V113-W117 VanDerWaalsContact O-CD1 3.25Å; V113-W117 PolarHBondContact O-N 3.03Å; V113-W117 VanDerWaalsContact O-N 3.14Å |
| 114 | A | 89 | Confident | 89.1 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F93 A108 S110 A111 D112 I116 W117 V118 | F93-A114 HydrophobicContact CD1-CB 3.98Å; F93-A114 HydrophobicContact CE1-CB 4.36Å; A108-A114 HydrophobicContact CB-CB 3.9Å; S110-A114 PolarHBondContact O-N 2.94Å; S110-A114 VanDerWaalsContact O-N 3.17Å; A111-A114 WeakPolarHBondContact O-CB 3.27Å; A111-A114 PolarHBondContact O-N 3.46Å; A111-A114 VanDerWaalsContact O-N 3.16Å; D112-A114 VanDerWaalsContact C-N 3.32Å; D112-A114 PolarHBondContact O-N 2.89Å; A114-I116 VanDerWaalsContact C-N 3.35Å; A114-I116 PolarHBondContact O-N 3.46Å; A114-W117 PolarHBondContact O-N 3Å; A114-V118 WeakPolarHBondContact O-CB 3.45Å; A114-V118 VanDerWaalsContact O-CG2 3.24Å; A114-V118 WeakPolarHBondContact O-CG2 3.49Å; A114-V118 PolarHBondContact O-N 3Å |
| 115 | N | 87.1 | Confident | 88.7 | Confident | 44 Ų | 44 | 24 Ų | 24 | 24% | 0.235 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 178.6 | -73 | -28 | 0 | 0 | 0 | 112.4 | A111 D112 T119 F239 | A111-N115 WeakPolarHBondContact O-CB 3.18Å; A111-N115 VanDerWaalsContact O-CG 3.31Å; A111-N115 PolarHBondContact O-N 3.39Å; A111-N115 PolarHBondContact O-ND2 3.23Å; D112-N115 PolarHBondContact O-N 3.33Å; N115-T119 WeakPolarHBondContact O-CB 3.47Å; N115-T119 PolarHBondContact O-N 3.34Å; N115-T119 PolarHBondContact O-OG1 2.9Å; N115-F239 HydrophobicContact CB-CB 4.48Å; N115-F239 HydrophobicContact CB-CD1 3.89Å; N115-F239 HydrophobicContact CB-CD2 3.86Å; N115-F239 HydrophobicContact CB-CE1 4Å; N115-F239 HydrophobicContact CB-CE2 3.99Å; N115-F239 HydrophobicContact CB-CG 3.83Å; N115-F239 HydrophobicContact CB-CZ 4.05Å |
| 116 | I | 89.9 | Confident | 88 | Confident | 13 Ų | 13 | 26.4 Ų | 26.4 | 7% | 0.067 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.6 | -51.9 | 174.8 | -69.8 | 167.2 | 0 | 0 | 0 | 110.7 | V7 C13 F16 D112 V113 A114 T119 G120 F239 | V7-I116 HydrophobicContact CG2-CD1 3.73Å; V7-I116 HydrophobicContact CG2-CG1 3.86Å; C13-I116 HydrophobicContact CB-CG2 4.08Å; F16-I116 HydrophobicContact CB-CG2 3.85Å; F16-I116 HydrophobicContact CD1-CB 4.44Å; F16-I116 HydrophobicContact CD1-CD1 4.4Å; F16-I116 HydrophobicContact CD1-CG2 3.5Å; F16-I116 HydrophobicContact CD2-CD1 4.34Å; F16-I116 HydrophobicContact CE1-CD1 4.47Å; F16-I116 HydrophobicContact CE1-CG2 4.27Å; F16-I116 HydrophobicContact CE2-CD1 4.41Å; F16-I116 HydrophobicContact CG-CD1 4.34Å; F16-I116 HydrophobicContact CG-CG2 3.82Å; F16-I116 HydrophobicContact CZ-CD1 4.47Å; D112-I116 VanDerWaalsContact O-CG1 3.25Å; D112-I116 WeakPolarHBondContact O-CG1 3.41Å; D112-I116 PolarHBondContact O-N 3.33Å; V113-I116 PolarHBondContact O-N 3.38Å; A114-I116 VanDerWaalsContact C-N 3.35Å; A114-I116 PolarHBondContact O-N 3.46Å; I116-T119 PolarHBondContact O-N 2.97Å; I116-G120 PolarHBondContact O-N 3Å; I116-F239 HydrophobicContact CG1-CZ 3.8Å |
| 117 | W | 92.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.9 | -44.6 | -178.7 | -85.2 | 84.5 | 0 | 0 | 0 | 112.2 | F16 M17 C21 L23 L46 F93 V113 A114 L121 | F16-W117 AromaticContact CE1-NE1 3.92Å; M17-W117 HydrophobicContact CB-CH2 4.31Å; M17-W117 HydrophobicContact CB-CZ2 4.39Å; M17-W117 HydrophobicContact CB-CZ3 4.49Å; M17-W117 HydrophobicContact CE-CE3 3.73Å; M17-W117 HydrophobicContact CE-CZ3 3.83Å; M17-W117 HydrophobicContact CG-CD2 3.87Å; M17-W117 HydrophobicContact CG-CE3 3.98Å; M17-W117 HydrophobicContact CG-CG 4.32Å; M17-W117 HydrophobicContact CG-CH2 4.38Å; M17-W117 HydrophobicContact CG-CZ2 4.3Å; M17-W117 HydrophobicContact CG-CZ3 4.24Å; M17-W117 HydrophobicContact SD-CE3 4.37Å; C21-W117 PolarHBondContact SG-NE1 3.04Å; L23-W117 HydrophobicContact CD1-CD2 4.1Å; L23-W117 HydrophobicContact CD1-CE3 4.45Å; L23-W117 HydrophobicContact CD1-CG 4.47Å; L23-W117 HydrophobicContact CD1-CZ2 4.39Å; L46-W117 HydrophobicContact CD2-CZ3 3.82Å; F93-W117 HydrophobicContact CE1-CB 4.3Å; F93-W117 HydrophobicContact CE2-CB 4.21Å; F93-W117 HydrophobicContact CZ-CB 3.74Å; F93-W117 HydrophobicContact CZ-CG 4.23Å; V113-W117 VanDerWaalsContact O-CD1 3.25Å; V113-W117 PolarHBondContact O-N 3.03Å; V113-W117 VanDerWaalsContact O-N 3.14Å; A114-W117 PolarHBondContact O-N 3Å; W117-L121 WeakPolarHBondContact O-CB 3.48Å; W117-L121 WeakPolarHBondContact O-CD1 3.48Å; W117-L121 WeakPolarHBondContact O-CG 3.34Å; W117-L121 PolarHBondContact O-N 3.27Å |
| 118 | V | 90.7 | Very high | 86.7 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 178 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | V68 T70 F93 A114 L121 R122 | V68-V118 HydrophobicContact CG1-CB 4.36Å; V68-V118 HydrophobicContact CG1-CG1 4.09Å; V68-V118 HydrophobicContact CG1-CG2 4.01Å; T70-V118 HydrophobicContact CG2-CB 4.49Å; T70-V118 HydrophobicContact CG2-CG1 3.8Å; T70-V118 HydrophobicContact CG2-CG2 4.08Å; F93-V118 HydrophobicContact CB-CG2 3.63Å; F93-V118 HydrophobicContact CD1-CG2 4.37Å; F93-V118 HydrophobicContact CD2-CG2 3.95Å; F93-V118 HydrophobicContact CG-CG2 3.74Å; A114-V118 WeakPolarHBondContact O-CB 3.45Å; A114-V118 VanDerWaalsContact O-CG2 3.24Å; A114-V118 WeakPolarHBondContact O-CG2 3.49Å; A114-V118 PolarHBondContact O-N 3Å; V118-L121 PolarHBondContact O-N 3.36Å; V118-R122 HydrophobicContact CG1-CG 4.46Å; V118-R122 WeakPolarHBondContact O-CB 3.41Å; V118-R122 WeakPolarHBondContact O-CG 3.21Å; V118-R122 PolarHBondContact O-N 3.41Å |
| 119 | T | 88.3 | Confident | 86 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -48.2 | 179.9 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | N115 I116 L121 R122 Y123 Y238 F239 V242 | N115-T119 WeakPolarHBondContact O-CB 3.47Å; N115-T119 PolarHBondContact O-N 3.34Å; N115-T119 PolarHBondContact O-OG1 2.9Å; I116-T119 PolarHBondContact O-N 2.97Å; T119-L121 PolarHBondContact O-N 3.32Å; T119-R122 PolarHBondContact O-N 2.91Å; T119-Y123 VanDerWaalsContact O-CB 3.29Å; T119-Y123 WeakPolarHBondContact O-CB 3.3Å; T119-Y123 PolarHBondContact O-N 3.33Å; T119-Y238 HydrophobicContact CG2-CE1 4.34Å; T119-F239 WeakPolarHBondContact OG1-CD1 3.49Å; T119-V242 HydrophobicContact CG2-CG1 3.93Å |
| 120 | G | 90.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I116 Y123 L124 | I116-G120 PolarHBondContact O-N 3Å; G120-Y123 PolarHBondContact O-N 2.53Å; G120-L124 WeakPolarHBondContact O-CG 3.29Å; G120-L124 PolarHBondContact O-N 2.97Å; G120-L124 VanDerWaalsContact O-N 3.09Å |
| 121 | L | 91.1 | Very high | 85.4 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -43 | 177.1 | -69.5 | 169.2 | 0 | 0 | 0 | 112.8 | M17 L46 I65 V68 F93 I95 W117 V118 T119 Y123 L124 L125 | M17-L121 HydrophobicContact CE-CD2 3.62Å; M17-L121 HydrophobicContact CE-CG 3.71Å; L46-L121 HydrophobicContact CD1-CD2 3.69Å; L46-L121 HydrophobicContact CD2-CD2 4.16Å; L46-L121 HydrophobicContact CG-CD2 4.29Å; I65-L121 HydrophobicContact CD1-CD2 4.11Å; V68-L121 HydrophobicContact CG2-CB 3.78Å; V68-L121 HydrophobicContact CG2-CD1 4.29Å; F93-L121 HydrophobicContact CE2-CD1 4.32Å; I95-L121 HydrophobicContact CD1-CD1 3.52Å; I95-L121 HydrophobicContact CG1-CD1 3.87Å; W117-L121 WeakPolarHBondContact O-CB 3.48Å; W117-L121 WeakPolarHBondContact O-CD1 3.48Å; W117-L121 WeakPolarHBondContact O-CG 3.34Å; W117-L121 PolarHBondContact O-N 3.27Å; V118-L121 PolarHBondContact O-N 3.36Å; T119-L121 PolarHBondContact O-N 3.32Å; L121-Y123 VanDerWaalsContact C-N 3.32Å; L121-L124 PolarHBondContact O-N 3.21Å; L121-L125 WeakPolarHBondContact O-CG 3.23Å; L121-L125 PolarHBondContact O-N 2.99Å; L121-L125 VanDerWaalsContact O-N 3.11Å |
| 122 | R | 88.7 | Confident | 84.6 | Confident | 55 Ų | 55 | 33 Ų | 33 | 21% | 0.208 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 175.9 | -75.2 | -178.8 | 176.3 | 165.2 | 0.4 | 111.9 | V68 V118 T119 L124 L125 A126 D247 | V68-R122 HydrophobicContact CB-CG 4.23Å; V68-R122 PolarHBondContact O-NH2 2.84Å; V68-R122 VanDerWaalsContact O-NH2 3.08Å; V118-R122 HydrophobicContact CG1-CG 4.46Å; V118-R122 WeakPolarHBondContact O-CB 3.41Å; V118-R122 WeakPolarHBondContact O-CG 3.21Å; V118-R122 PolarHBondContact O-N 3.41Å; T119-R122 PolarHBondContact O-N 2.91Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-L124 PolarHBondContact O-N 2.76Å; R122-L125 WeakPolarHBondContact O-CB 3.37Å; R122-L125 PolarHBondContact O-N 2.94Å; R122-L125 VanDerWaalsContact O-N 3.12Å; R122-A126 PolarHBondContact O-N 2.85Å; R122-D247 WeakPolarHBondContact CB-OD1 3.28Å; R122-D247 WeakPolarHBondContact CB-OD2 3.15Å |
| 123 | Y | 85.7 | Confident | 83.3 | Confident | 10 Ų | 10 | 33.3 Ų | 33.3 | 4% | 0.039 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.4 | -43.3 | 174.7 | -174.6 | -94.4 | 0 | 0 | 0 | 112.1 | A10 L14 T119 G120 L121 L125 A126 H127 I130 V152 E153 | A10-Y123 HydrophobicContact CB-CD1 4.18Å; A10-Y123 HydrophobicContact CB-CD2 3.4Å; A10-Y123 HydrophobicContact CB-CE1 4.44Å; A10-Y123 HydrophobicContact CB-CE2 3.72Å; A10-Y123 HydrophobicContact CB-CG 3.65Å; L14-Y123 HydrophobicContact CD1-CD1 3.95Å; L14-Y123 HydrophobicContact CD1-CE1 4.13Å; T119-Y123 VanDerWaalsContact O-CB 3.29Å; T119-Y123 WeakPolarHBondContact O-CB 3.3Å; T119-Y123 PolarHBondContact O-N 3.33Å; G120-Y123 PolarHBondContact O-N 2.53Å; L121-Y123 VanDerWaalsContact C-N 3.32Å; Y123-L125 PolarHBondContact O-N 2.84Å; Y123-A126 PolarHBondContact O-N 3.27Å; Y123-H127 AromaticContact CD2-CE1 3.8Å; Y123-H127 AromaticContact CD2-ND1 3.73Å; Y123-H127 AromaticContact CE2-CE1 3.46Å; Y123-H127 VanDerWaalsContact CE2-CE1 3.46Å; Y123-H127 WeakPolarHBondContact CE2-CE1 3.5Å; Y123-H127 AromaticContact CE2-ND1 3.58Å; Y123-H127 AromaticContact CZ-CE1 3.98Å; Y123-H127 AromaticContact CZ-ND1 3.79Å; Y123-H127 PolarHBondContact O-N 2.89Å; Y123-H127 PolarHBondContact O-ND1 2.81Å; Y123-I130 HydrophobicContact CD1-CD1 4.01Å; Y123-I130 HydrophobicContact CE1-CD1 3.53Å; Y123-V152 HydrophobicContact CE1-CG1 3.75Å; Y123-V152 WeakPolarHBondContact OH-CG1 3.35Å; Y123-E153 PolarHBondContact OH-O 3.48Å |
| 124 | L | 87.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 174.5 | -66.7 | 172.2 | 0 | 0 | 0 | 112.6 | L14 L39 L43 V62 G120 L121 R122 H127 I130 I131 | L14-L124 HydrophobicContact CD1-CD2 4.46Å; L14-L124 HydrophobicContact CD2-CD1 4.09Å; L14-L124 HydrophobicContact CD2-CD2 3.9Å; L14-L124 HydrophobicContact CD2-CG 3.82Å; L39-L124 HydrophobicContact CD1-CD1 4.05Å; L39-L124 HydrophobicContact CD2-CD1 4.03Å; L43-L124 HydrophobicContact CB-CD2 3.83Å; L43-L124 HydrophobicContact CD1-CD2 4.03Å; L43-L124 HydrophobicContact CG-CD2 4.38Å; V62-L124 HydrophobicContact CG1-CB 3.89Å; V62-L124 HydrophobicContact CG1-CD1 4.04Å; V62-L124 HydrophobicContact CG2-CD1 4.24Å; G120-L124 WeakPolarHBondContact O-CG 3.29Å; G120-L124 PolarHBondContact O-N 2.97Å; G120-L124 VanDerWaalsContact O-N 3.09Å; L121-L124 PolarHBondContact O-N 3.21Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-L124 PolarHBondContact O-N 2.76Å; L124-H127 CarbonylContact O-C 3.59Å; L124-H127 PolarHBondContact O-N 3.36Å; L124-I130 HydrophobicContact CD2-CD1 4.09Å; L124-I130 HydrophobicContact CD2-CG1 4.3Å; L124-I131 HydrophobicContact CB-CD1 4.45Å; L124-I131 HydrophobicContact CD2-CG1 4.36Å |
| 125 | L | 86.4 | Confident | 78.8 | Confident | 58 Ų | 58 | 40.2 Ų | 40.2 | 30% | 0.304 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 177 | -70.9 | 173.4 | 0 | 0 | 0 | 112.5 | I65 V68 L121 R122 Y123 H127 | I65-L125 HydrophobicContact CB-CD2 3.95Å; I65-L125 HydrophobicContact CG2-CD1 3.89Å; I65-L125 HydrophobicContact CG2-CD2 3.94Å; I65-L125 HydrophobicContact CG2-CG 4.32Å; I65-L125 WeakPolarHBondContact O-CD2 3.44Å; V68-L125 HydrophobicContact CG2-CD1 4.08Å; L121-L125 WeakPolarHBondContact O-CG 3.23Å; L121-L125 PolarHBondContact O-N 2.99Å; L121-L125 VanDerWaalsContact O-N 3.11Å; R122-L125 WeakPolarHBondContact O-CB 3.37Å; R122-L125 PolarHBondContact O-N 2.94Å; R122-L125 VanDerWaalsContact O-N 3.12Å; Y123-L125 PolarHBondContact O-N 2.84Å; L125-H127 VanDerWaalsContact C-N 3.33Å |
| 126 | A | 80.8 | Confident | 76.3 | Confident | 53 Ų | 53 | 41.9 Ų | 41.9 | 44% | 0.438 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.5 | -24.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R122 Y123 P128 D247 | R122-A126 PolarHBondContact O-N 2.85Å; Y123-A126 PolarHBondContact O-N 3.27Å; A126-P128 VanDerWaalsContact C-CD 3.49Å; A126-P128 WeakPolarHBondContact O-CD 3.35Å; A126-D247 HydrophobicContact CB-CB 4.46Å |
| 127 | H | 80.9 | Confident | 73.7 | Confident | 54 Ų | 54 | 45 Ų | 45 | 25% | 0.25 | 35% | 0.348 | C | S | . | . | trans | -125.5 | 65.3 | -176.6 | -55.9 | 85.1 | 0 | 0 | 0 | 113.2 | Y123 L124 L125 S129 I130 | Y123-H127 AromaticContact CD2-CE1 3.8Å; Y123-H127 AromaticContact CD2-ND1 3.73Å; Y123-H127 AromaticContact CE2-CE1 3.46Å; Y123-H127 VanDerWaalsContact CE2-CE1 3.46Å; Y123-H127 WeakPolarHBondContact CE2-CE1 3.5Å; Y123-H127 AromaticContact CE2-ND1 3.58Å; Y123-H127 AromaticContact CZ-CE1 3.98Å; Y123-H127 AromaticContact CZ-ND1 3.79Å; Y123-H127 PolarHBondContact O-N 2.89Å; Y123-H127 PolarHBondContact O-ND1 2.81Å; L124-H127 CarbonylContact O-C 3.59Å; L124-H127 PolarHBondContact O-N 3.36Å; L125-H127 VanDerWaalsContact C-N 3.33Å; H127-S129 PolarHBondContact O-N 3.38Å; H127-I130 HydrophobicContact CB-CD1 4.02Å; H127-I130 HydrophobicContact CB-CG1 4.42Å; H127-I130 HydrophobicContact CB-CG2 4.33Å; H127-I130 WeakPolarHBondContact O-CG1 3.48Å; H127-I130 PolarHBondContact O-N 3.32Å | ||
| 128 | P | 79.6 | Confident | 70.5 | Confident | 90 Ų | 90 | 51.5 Ų | 51.5 | 58% | 0.584 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -58.5 | -22.3 | -178.6 | -23.4 | 33.5 | 0 | 0 | 0 | 114.5 | A126 I130 I131 | A126-P128 VanDerWaalsContact C-CD 3.49Å; A126-P128 WeakPolarHBondContact O-CD 3.35Å; P128-I130 VanDerWaalsContact C-N 3.25Å; P128-I130 PolarHBondContact O-N 2.84Å; P128-I131 PolarHBondContact O-N 3.34Å |
| 129 | S | 77.5 | Confident | 67.5 | Low | 102 Ų | 102 | 54.8 Ų | 54.8 | 71% | 0.713 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -66.8 | -19.1 | -179.1 | 51.5 | 0 | 0 | 0 | 0 | 114.6 | H127 | H127-S129 PolarHBondContact O-N 3.38Š|
| 130 | I | 77.1 | Confident | 64.5 | Low | 30 Ų | 30 | 61.3 Ų | 61.3 | 15% | 0.154 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -87.5 | -11.4 | 178.8 | 76.2 | -170.2 | 0 | 0 | 0 | 112.7 | L43 Y123 L124 H127 P128 V152 | L43-I130 HydrophobicContact CD1-CD1 4.29Å; L43-I130 HydrophobicContact CD1-CG1 4.1Å; Y123-I130 HydrophobicContact CD1-CD1 4.01Å; Y123-I130 HydrophobicContact CE1-CD1 3.53Å; L124-I130 HydrophobicContact CD2-CD1 4.09Å; L124-I130 HydrophobicContact CD2-CG1 4.3Å; H127-I130 HydrophobicContact CB-CD1 4.02Å; H127-I130 HydrophobicContact CB-CG1 4.42Å; H127-I130 HydrophobicContact CB-CG2 4.33Å; H127-I130 WeakPolarHBondContact O-CG1 3.48Å; H127-I130 PolarHBondContact O-N 3.32Å; P128-I130 VanDerWaalsContact C-N 3.25Å; P128-I130 PolarHBondContact O-N 2.84Å; I130-V152 HydrophobicContact CD1-CG1 4.27Å |
| 131 | I | 79.6 | Confident | 61.6 | Low | 41 Ų | 41 | 68.2 Ų | 68.2 | 21% | 0.21 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 128 | -175.8 | -57.5 | 176.1 | 0 | 0 | 0 | 109.8 | V62 L124 P128 | V62-I131 HydrophobicContact CB-CD1 4.4Å; V62-I131 HydrophobicContact CG1-CD1 3.67Å; L124-I131 HydrophobicContact CB-CD1 4.45Å; L124-I131 HydrophobicContact CD2-CG1 4.36Å; P128-I131 PolarHBondContact O-N 3.34Å |
| 132 | G | 63.7 | Low | 58.5 | Low | 43 Ų | 43 | 71.5 Ų | 71.5 | 44% | 0.443 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 15.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116 | D42 A134 | D42-G132 PolarHBondContact O-N 3.17Å; G132-A134 VanDerWaalsContact C-N 3.34Å; G132-A134 PolarHBondContact O-N 3.49Å |
| 133 | G | 54.4 | Low | 55.5 | Low | 66 Ų | 66 | 73 Ų | 73 | 68% | 0.68 | 58% | 0.575 | S | S | * | * | trans | 59.8 | 35.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G135 | G133-G135 PolarHBondContact O-N 3.27Š| ||
| 134 | A | 42.4 | Very low | 52.7 | Low | 86 Ų | 86 | 76.6 Ų | 76.6 | 71% | 0.711 | 62% | 0.615 | S | S | * | * | trans | -72.6 | 86.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G132 G136 | G132-A134 VanDerWaalsContact C-N 3.34Å; G132-A134 PolarHBondContact O-N 3.49Å; A134-G136 PolarHBondContact O-N 2.92Å | ||
| 135 | G | 39.3 | Very low | 50 | Low | 84 Ų | 84 | 86.6 Ų | 86.6 | 87% | 0.866 | 66% | 0.662 | S | S | * | * | trans | -61.6 | 115.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G133 | G133-G135 PolarHBondContact O-N 3.27Š| ||
| 136 | G | 35.5 | Very low | 47.3 | Very low | 79 Ų | 79 | 87.6 Ų | 87.6 | 81% | 0.814 | 69% | 0.686 | S | S | * | * | trans | -173.7 | 39.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | A134 | A134-G136 PolarHBondContact O-N 2.92Š| ||
| 137 | G | 34.3 | Very low | 44.9 | Very low | 78 Ų | 78 | 92.9 Ų | 92.9 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | 99.5 | 86.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 138 | C | 27.2 | Very low | 42.5 | Very low | 139 Ų | 139 | 94.3 Ų | 94.3 | 94% | 0.939 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -166.6 | 121.4 | 131.5 | -129.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 139 | G | 26.6 | Very low | 40.3 | Very low | 73 Ų | 73 | 93 Ų | 93 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | 64.1 | 78.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | V141 | G139-V141 PolarHBondContact O-N 3.45Š| ||
| 140 | V | 26.8 | Very low | 38.4 | Very low | 145 Ų | 145 | 92.4 Ų | 92.4 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | trans | -66.3 | 115.4 | 152.8 | 175.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 141 | V | 27.4 | Very low | 36.6 | Very low | 146 Ų | 146 | 95.9 Ų | 95.9 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | trans | -114.8 | 114.1 | 155.4 | -170.1 | 0 | 0 | 0 | 0 | 106.3 | G139 | G139-V141 PolarHBondContact O-N 3.45Š| ||
| 142 | G | 26.6 | Very low | 35.3 | Very low | 70 Ų | 70 | 95.8 Ų | 95.8 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -81.5 | 162.6 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 143 | G | 26.4 | Very low | 34.8 | Very low | 86 Ų | 86 | 100.5 Ų | 100.5 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | 153.4 | 93.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 144 | G | 26.8 | Very low | 35.3 | Very low | 85 Ų | 85 | 98.7 Ų | 98.7 | 88% | 0.876 | 76% | 0.757 | S | S | * | * | trans | 119.3 | 99.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 145 | Q | 31.7 | Very low | 36.9 | Very low | 211 Ų | 211 | 94.9 Ų | 94.9 | 99% | 0.986 | 73% | 0.725 | S | S | * | * | trans | -72.7 | 132.3 | 173 | -91.3 | 160.3 | -21.6 | 0 | 0 | 112.2 | ||||
| 146 | G | 29.2 | Very low | 38.9 | Very low | 78 Ų | 78 | 94.4 Ų | 94.4 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | 134.6 | 72 | 156.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 147 | D | 30.3 | Very low | 41.2 | Very low | 165 Ų | 165 | 90.9 Ų | 90.9 | 88% | 0.882 | 67% | 0.666 | S | S | * | * | -178.1 | 148.9 | 125 | -156.7 | 1.8 | 0 | 0 | 0 | 108.6 | G149 | D147-G149 PolarHBondContact O-N 3.48Š| |||
| 148 | G | 30.8 | Very low | 43.6 | Very low | 83 Ų | 83 | 89.4 Ų | 89.4 | 86% | 0.856 | 64% | 0.643 | S | S | * | * | trans | -72.7 | 38.7 | -171 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 149 | G | 33.3 | Very low | 46.4 | Very low | 62 Ų | 62 | 86.8 Ų | 86.8 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | trans | -89.5 | 137.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D147 A151 | D147-G149 PolarHBondContact O-N 3.48Å; G149-A151 PolarHBondContact O-N 3.32Å | ||
| 150 | V | 37.9 | Very low | 49.4 | Very low | 91 Ų | 91 | 83.4 Ų | 83.4 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | trans | -61.1 | 117.2 | 168.8 | -178.2 | 0 | 0 | 0 | 0 | 108 | V152 | V150-V152 PolarHBondContact O-N 3Š| ||
| 151 | A | 38.9 | Very low | 52.5 | Low | 103 Ų | 103 | 77.5 Ų | 77.5 | 85% | 0.851 | 54% | 0.543 | S | S | * | . | trans | -70.4 | 92 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | G149 E153 | G149-A151 PolarHBondContact O-N 3.32Å; A151-E153 PolarHBondContact O-N 3.15Å | ||
| 152 | V | 51.1 | Low | 55.5 | Low | 39 Ų | 39 | 72.9 Ų | 72.9 | 24% | 0.236 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 124.6 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | L14 Y123 I130 V150 G154 | L14-V152 HydrophobicContact CD1-CG2 4.47Å; Y123-V152 HydrophobicContact CE1-CG1 3.75Å; Y123-V152 WeakPolarHBondContact OH-CG1 3.35Å; I130-V152 HydrophobicContact CD1-CG1 4.27Å; V150-V152 PolarHBondContact O-N 3Å; V152-G154 PolarHBondContact O-N 3.24Å; V152-G154 VanDerWaalsContact O-N 3.16Å |
| 153 | E | 54.7 | Low | 58.6 | Low | 142 Ų | 142 | 74.1 Ų | 74.1 | 66% | 0.664 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 118.7 | 174.2 | -156.6 | -173 | 157.4 | 0 | 0 | 108.8 | Y123 A151 K159 | Y123-E153 PolarHBondContact OH-O 3.48Å; A151-E153 PolarHBondContact O-N 3.15Å; E153-K159 IonicContact OE1-NZ 2.77Å; E153-K159 PolarHBondContact OE1-NZ 3.4Å |
| 154 | G | 64 | Low | 61.9 | Low | 28 Ų | 28 | 70.6 Ų | 70.6 | 29% | 0.289 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 143.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V152 K159 | V152-G154 PolarHBondContact O-N 3.24Å; V152-G154 VanDerWaalsContact O-N 3.16Å; G154-K159 WeakPolarHBondContact O-CE 3.32Å |
| 155 | S | 75.9 | Confident | 65.1 | Low | 6 Ų | 6 | 66.5 Ų | 66.5 | 4% | 0.042 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 163 | 173.3 | 77.7 | 0 | 0 | 0 | 0 | 111.3 | G157 S158 K159 E249 | S155-G157 VanDerWaalsContact C-N 3.29Å; S155-G157 PolarHBondContact O-N 2.94Å; S155-G157 PolarHBondContact OG-N 2.82Å; S155-S158 PolarHBondContact O-N 3.38Å; S155-S158 VanDerWaalsContact OG-CB 3.27Å; S155-S158 WeakPolarHBondContact OG-CB 3.38Å; S155-S158 PolarHBondContact OG-N 2.97Å; S155-K159 WeakPolarHBondContact O-CG 3.41Å; S155-K159 PolarHBondContact O-N 2.99Å; S155-E249 WeakPolarHBondContact CB-OE2 3.46Å; S155-E249 VanDerWaalsContact OG-CD 3.29Å; S155-E249 PolarHBondContact OG-OE2 2.79Å |
| 156 | L | 81.4 | Confident | 68.1 | Low | 73 Ų | 73 | 57.5 Ų | 57.5 | 38% | 0.382 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 174.6 | -178.6 | 60.9 | 0 | 0 | 0 | 111.6 | S158 K159 I160 L292 | L156-S158 PolarHBondContact O-N 3.22Å; L156-K159 PolarHBondContact O-N 3.19Å; L156-I160 HydrophobicContact CD1-CD1 4.4Å; L156-I160 HydrophobicContact CG-CD1 4.09Å; L156-I160 WeakPolarHBondContact O-CG1 3.24Å; L156-I160 PolarHBondContact O-N 2.95Å; L156-L292 HydrophobicContact CD2-CD1 3.7Å; L156-L292 HydrophobicContact CG-CD1 4.35Å |
| 157 | G | 83.4 | Confident | 71.2 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S155 I160 R161 R248 E249 | S155-G157 VanDerWaalsContact C-N 3.29Å; S155-G157 PolarHBondContact O-N 2.94Å; S155-G157 PolarHBondContact OG-N 2.82Å; G157-I160 PolarHBondContact O-N 2.94Å; G157-R161 WeakPolarHBondContact O-CB 3.45Å; G157-R161 PolarHBondContact O-N 3.45Å; G157-R248 PolarHBondContact N-O 3.02Å; G157-E249 WeakPolarHBondContact CA-O 3.36Å |
| 158 | S | 84.4 | Confident | 74.3 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | S155 L156 R161 S162 | S155-S158 PolarHBondContact O-N 3.38Å; S155-S158 VanDerWaalsContact OG-CB 3.27Å; S155-S158 WeakPolarHBondContact OG-CB 3.38Å; S155-S158 PolarHBondContact OG-N 2.97Å; L156-S158 PolarHBondContact O-N 3.22Å; S158-R161 PolarHBondContact O-N 3.44Å; S158-S162 WeakPolarHBondContact O-CB 3.36Å; S158-S162 PolarHBondContact O-N 3.08Å |
| 159 | K | 86.5 | Confident | 77.4 | Confident | 83 Ų | 83 | 46.8 Ų | 46.8 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 174.5 | -71.4 | 171.8 | 176.1 | 171 | 0 | 111.7 | E153 G154 S155 L156 R161 S162 E163 | E153-K159 IonicContact OE1-NZ 2.77Å; E153-K159 PolarHBondContact OE1-NZ 3.4Å; G154-K159 WeakPolarHBondContact O-CE 3.32Å; S155-K159 WeakPolarHBondContact O-CG 3.41Å; S155-K159 PolarHBondContact O-N 2.99Å; L156-K159 PolarHBondContact O-N 3.19Å; K159-R161 VanDerWaalsContact C-N 3.28Å; K159-R161 PolarHBondContact O-N 2.98Å; K159-S162 PolarHBondContact O-N 2.83Å; K159-E163 WeakPolarHBondContact O-CB 3.43Å; K159-E163 WeakPolarHBondContact O-CG 3.26Å; K159-E163 PolarHBondContact O-N 3.39Å |
| 160 | I | 89.7 | Confident | 80.3 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.1 | -43.7 | 177 | -69 | 165.9 | 0 | 0 | 0 | 111 | L156 G157 W164 S284 L292 | L156-I160 HydrophobicContact CD1-CD1 4.4Å; L156-I160 HydrophobicContact CG-CD1 4.09Å; L156-I160 WeakPolarHBondContact O-CG1 3.24Å; L156-I160 PolarHBondContact O-N 2.95Å; G157-I160 PolarHBondContact O-N 2.94Å; I160-W164 WeakPolarHBondContact O-CB 3.39Å; I160-W164 PolarHBondContact O-N 3.39Å; I160-S284 VanDerWaalsContact CG2-CB 3.49Å; I160-L292 HydrophobicContact CD1-CB 4.21Å; I160-L292 HydrophobicContact CD1-CD1 3.83Å |
| 161 | R | 91.7 | Very high | 83 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.8 | -47 | 179.7 | -171.3 | 177.6 | -161.7 | -164.7 | 4.8 | 112.3 | G157 S158 K159 W164 L165 T233 D296 | G157-R161 WeakPolarHBondContact O-CB 3.45Å; G157-R161 PolarHBondContact O-N 3.45Å; S158-R161 PolarHBondContact O-N 3.44Å; K159-R161 VanDerWaalsContact C-N 3.28Å; K159-R161 PolarHBondContact O-N 2.98Å; R161-W164 PolarHBondContact O-N 2.88Å; R161-L165 HydrophobicContact CG-CD1 4.28Å; R161-L165 WeakPolarHBondContact O-CG 3.16Å; R161-L165 PolarHBondContact O-N 2.88Å; R161-T233 PolarHBondContact NH1-OG1 2.83Å; R161-T233 PolarHBondContact NH2-OG1 2.89Å; R161-T233 VanDerWaalsContact NH2-OG1 3.15Å; R161-D296 WeakPolarHBondContact CD-OD2 3.49Å; R161-D296 WeakPolarHBondContact CG-OD2 3.37Å; R161-D296 IonicContact CZ-OD1 3.12Å; R161-D296 IonicContact CZ-OD2 2.82Å; R161-D296 IonicContact NE-OD1 2.72Å; R161-D296 PolarHBondContact NE-OD1 3.08Å; R161-D296 IonicContact NE-OD2 3.64Å; R161-D296 PolarHBondContact NE-OD2 3.16Å; R161-D296 IonicContact NH2-OD1 2.8Å; R161-D296 PolarHBondContact NH2-OD1 2.84Å; R161-D296 IonicContact NH2-OD2 3.91Å |
| 162 | S | 90.9 | Very high | 85.6 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 178.4 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | S158 K159 W164 L165 A166 Q225 | S158-S162 WeakPolarHBondContact O-CB 3.36Å; S158-S162 PolarHBondContact O-N 3.08Å; K159-S162 PolarHBondContact O-N 2.83Å; S162-W164 PolarHBondContact O-N 2.68Å; S162-L165 PolarHBondContact O-N 2.9Å; S162-A166 WeakPolarHBondContact O-CB 3.5Å; S162-A166 PolarHBondContact O-N 2.9Å; S162-Q225 PolarHBondContact O-NE2 2.87Å; S162-Q225 PolarHBondContact OG-NE2 3.43Å |
| 163 | E | 91.8 | Very high | 87.6 | Confident | 96 Ų | 96 | 44.9 Ų | 44.9 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 176.5 | -73.5 | 178.6 | -166.7 | 0 | 0 | 112.2 | K159 A166 A167 Q286 | K159-E163 WeakPolarHBondContact O-CB 3.43Å; K159-E163 WeakPolarHBondContact O-CG 3.26Å; K159-E163 PolarHBondContact O-N 3.39Å; E163-A166 PolarHBondContact O-N 3.43Å; E163-A167 PolarHBondContact O-N 3.5Å; E163-Q286 PolarHBondContact OE2-NE2 2.73Å; E163-Q286 PolarHBondContact OE2-OE1 3.24Å |
| 164 | W | 94.9 | Very high | 89.2 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 5% | 0.045 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 174.8 | 166.7 | 53.5 | 0 | 0 | 0 | 111.8 | I160 R161 S162 A166 A167 E168 L192 F228 P283 D296 | I160-W164 WeakPolarHBondContact O-CB 3.39Å; I160-W164 PolarHBondContact O-N 3.39Å; R161-W164 PolarHBondContact O-N 2.88Å; S162-W164 PolarHBondContact O-N 2.68Å; W164-A166 VanDerWaalsContact C-N 3.28Å; W164-A166 PolarHBondContact O-N 2.8Å; W164-A167 WeakPolarHBondContact O-CB 3.48Å; W164-A167 PolarHBondContact O-N 2.99Å; W164-A167 VanDerWaalsContact O-N 3.08Å; W164-E168 HydrophobicContact CZ2-CG 4.27Å; W164-E168 VanDerWaalsContact NE1-CG 3.31Å; W164-E168 PolarHBondContact NE1-OE1 3.13Å; W164-E168 PolarHBondContact O-N 3.45Å; W164-L192 HydrophobicContact CZ2-CD1 4.41Å; W164-L192 HydrophobicContact CZ2-CD2 4.01Å; W164-F228 HydrophobicContact CH2-CE1 4.22Å; W164-F228 AromaticContact CH2-CZ 3.86Å; W164-F228 HydrophobicContact CH2-CZ 3.86Å; W164-F228 AromaticContact CZ3-CE1 3.9Å; W164-F228 HydrophobicContact CZ3-CE1 3.9Å; W164-F228 HydrophobicContact CZ3-CZ 4.03Å; W164-P283 HydrophobicContact CD2-CB 3.85Å; W164-P283 HydrophobicContact CD2-CG 4.04Å; W164-P283 VanDerWaalsContact CE2-CB 3.47Å; W164-P283 HydrophobicContact CE3-CB 4.5Å; W164-P283 HydrophobicContact CE3-CG 4.22Å; W164-P283 HydrophobicContact CG-CB 4.19Å; W164-P283 HydrophobicContact CH2-CB 4.45Å; W164-P283 HydrophobicContact CH2-CG 4.39Å; W164-P283 HydrophobicContact CZ2-CB 3.79Å; W164-P283 HydrophobicContact CZ2-CG 4.22Å; W164-P283 HydrophobicContact CZ3-CG 4.4Å; W164-D296 HydrophobicContact CH2-CB 4.36Å; W164-D296 HydrophobicContact CZ3-CB 3.96Å; W164-D296 WeakPolarHBondContact CZ3-OD2 3.26Å |
| 165 | L | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -34.7 | 178.3 | -68.3 | 172.6 | 0 | 0 | 0 | 112.3 | R161 S162 A167 E168 F169 L192 F224 Q225 F228 | R161-L165 HydrophobicContact CG-CD1 4.28Å; R161-L165 WeakPolarHBondContact O-CG 3.16Å; R161-L165 PolarHBondContact O-N 2.88Å; S162-L165 PolarHBondContact O-N 2.9Å; L165-A167 VanDerWaalsContact C-N 3.34Å; L165-E168 PolarHBondContact O-N 3.04Å; L165-F169 WeakPolarHBondContact O-CB 3.4Å; L165-F169 PolarHBondContact O-N 3.36Å; L165-L192 HydrophobicContact CD2-CD1 4.36Å; L165-F224 HydrophobicContact CD2-CE1 4.24Å; L165-Q225 HydrophobicContact CB-CG 3.85Å; L165-Q225 HydrophobicContact CD1-CB 4.49Å; L165-Q225 HydrophobicContact CD1-CG 4.32Å; L165-F228 HydrophobicContact CD1-CB 4.35Å; L165-F228 HydrophobicContact CD1-CD1 3.7Å; L165-F228 HydrophobicContact CD1-CE1 4.41Å; L165-F228 HydrophobicContact CD1-CG 4.26Å; L165-F228 HydrophobicContact CD2-CB 4.34Å; L165-F228 HydrophobicContact CD2-CD1 3.54Å; L165-F228 HydrophobicContact CD2-CD2 4.18Å; L165-F228 HydrophobicContact CD2-CE1 3.82Å; L165-F228 HydrophobicContact CD2-CE2 4.44Å; L165-F228 HydrophobicContact CD2-CG 3.73Å; L165-F228 HydrophobicContact CD2-CZ 4.27Å; L165-F228 HydrophobicContact CG-CD1 4.24Å |
| 166 | A | 94 | Very high | 90.8 | Very high | 21 Ų | 21 | 54 Ų | 54 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S162 E163 W164 F169 A170 | S162-A166 WeakPolarHBondContact O-CB 3.5Å; S162-A166 PolarHBondContact O-N 2.9Å; E163-A166 PolarHBondContact O-N 3.43Å; W164-A166 VanDerWaalsContact C-N 3.28Å; W164-A166 PolarHBondContact O-N 2.8Å; A166-F169 PolarHBondContact O-N 2.97Å; A166-A170 WeakPolarHBondContact O-CB 3.49Å; A166-A170 PolarHBondContact O-N 3.49Å |
| 167 | A | 94.3 | Very high | 91.1 | Very high | 55 Ų | 55 | 59 Ų | 59 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E163 W164 L165 F169 A170 L171 | E163-A167 PolarHBondContact O-N 3.5Å; W164-A167 WeakPolarHBondContact O-CB 3.48Å; W164-A167 PolarHBondContact O-N 2.99Å; W164-A167 VanDerWaalsContact O-N 3.08Å; L165-A167 VanDerWaalsContact C-N 3.34Å; A167-F169 VanDerWaalsContact C-N 3.35Å; A167-F169 PolarHBondContact O-N 3.46Å; A167-A170 PolarHBondContact O-N 3.15Å; A167-L171 WeakPolarHBondContact O-CG 3.32Å; A167-L171 PolarHBondContact O-N 2.6Å |
| 168 | E | 95.5 | Very high | 91.4 | Very high | 44 Ų | 44 | 60.2 Ų | 60.2 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 175.3 | -65.5 | -65.2 | 156.4 | 0 | 0 | 112 | W164 L165 L171 L192 | W164-E168 HydrophobicContact CZ2-CG 4.27Å; W164-E168 VanDerWaalsContact NE1-CG 3.31Å; W164-E168 PolarHBondContact NE1-OE1 3.13Å; W164-E168 PolarHBondContact O-N 3.45Å; L165-E168 PolarHBondContact O-N 3.04Å; E168-L171 WeakPolarHBondContact O-CB 3.46Å; E168-L171 PolarHBondContact O-N 2.61Å; E168-L192 HydrophobicContact CB-CD1 4.2Å; E168-L192 HydrophobicContact CG-CD1 4.17Å; E168-L192 HydrophobicContact CG-CD2 4.18Å |
| 169 | F | 95.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 1% | 0.013 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 174.9 | -172.8 | -85.6 | 0 | 0 | 0 | 111.7 | L165 A166 A167 L171 V172 D173 V180 R221 F224 | L165-F169 WeakPolarHBondContact O-CB 3.4Å; L165-F169 PolarHBondContact O-N 3.36Å; A166-F169 PolarHBondContact O-N 2.97Å; A167-F169 VanDerWaalsContact C-N 3.35Å; A167-F169 PolarHBondContact O-N 3.46Å; F169-L171 PolarHBondContact O-N 3.24Å; F169-V172 WeakPolarHBondContact O-CG2 3.13Å; F169-V172 PolarHBondContact O-N 3.18Å; F169-D173 HydrophobicContact CD1-CB 4.12Å; F169-D173 HydrophobicContact CE1-CB 3.91Å; F169-D173 PolarHBondContact O-N 3.3Å; F169-V180 HydrophobicContact CD2-CG2 4.44Å; F169-V180 HydrophobicContact CE1-CG1 4.17Å; F169-V180 HydrophobicContact CE2-CB 4.49Å; F169-V180 HydrophobicContact CE2-CG1 4.22Å; F169-V180 HydrophobicContact CE2-CG2 3.57Å; F169-V180 HydrophobicContact CZ-CB 4.32Å; F169-V180 HydrophobicContact CZ-CG1 3.82Å; F169-V180 HydrophobicContact CZ-CG2 3.83Å; F169-R221 HydrophobicContact CB-CG 4.37Å; F169-R221 HydrophobicContact CD1-CB 3.9Å; F169-R221 HydrophobicContact CD1-CG 4.08Å; F169-R221 HydrophobicContact CD2-CB 4.46Å; F169-R221 HydrophobicContact CE1-CB 3.89Å; F169-R221 HydrophobicContact CE2-CB 4.42Å; F169-R221 HydrophobicContact CG-CB 4.19Å; F169-R221 HydrophobicContact CG-CG 4.12Å; F169-R221 HydrophobicContact CZ-CB 4.14Å; F169-F224 HydrophobicContact CB-CD1 4.27Å; F169-F224 HydrophobicContact CB-CE1 4.49Å; F169-F224 HydrophobicContact CD2-CB 3.65Å; F169-F224 AromaticContact CD2-CD1 3.96Å; F169-F224 HydrophobicContact CD2-CD1 3.96Å; F169-F224 HydrophobicContact CD2-CD2 4.15Å; F169-F224 AromaticContact CD2-CG 3.66Å; F169-F224 HydrophobicContact CD2-CG 3.66Å; F169-F224 HydrophobicContact CE2-CB 3.88Å; F169-F224 HydrophobicContact CE2-CG 4.29Å |
| 170 | A | 94.7 | Very high | 92.2 | Very high | 63 Ų | 63 | 58 Ų | 58 | 52% | 0.521 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.1 | -24.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A166 A167 V172 | A166-A170 WeakPolarHBondContact O-CB 3.49Å; A166-A170 PolarHBondContact O-N 3.49Å; A167-A170 PolarHBondContact O-N 3.15Å; A170-V172 VanDerWaalsContact C-N 3.26Å; A170-V172 PolarHBondContact O-N 3.17Å |
| 171 | L | 94.1 | Very high | 92.4 | Very high | 128 Ų | 128 | 60.2 Ų | 60.2 | 67% | 0.67 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.6 | 174.1 | -67.8 | 174.9 | 0 | 0 | 0 | 113.1 | A167 E168 F169 | A167-L171 WeakPolarHBondContact O-CG 3.32Å; A167-L171 PolarHBondContact O-N 2.6Å; E168-L171 WeakPolarHBondContact O-CB 3.46Å; E168-L171 PolarHBondContact O-N 2.61Å; F169-L171 PolarHBondContact O-N 3.24Å |
| 172 | V | 94.3 | Very high | 92.5 | Very high | 43 Ų | 43 | 60.5 Ų | 60.5 | 26% | 0.261 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -13 | -177.4 | -61.8 | 0 | 0 | 0 | 0 | 113.3 | F169 A170 E174 V180 V184 T188 | F169-V172 WeakPolarHBondContact O-CG2 3.13Å; F169-V172 PolarHBondContact O-N 3.18Å; A170-V172 VanDerWaalsContact C-N 3.26Å; A170-V172 PolarHBondContact O-N 3.17Å; V172-E174 VanDerWaalsContact C-N 3.28Å; V172-E174 PolarHBondContact O-N 2.99Å; V172-V180 HydrophobicContact CG2-CG1 4.29Å; V172-V184 HydrophobicContact CB-CG1 3.74Å; V172-V184 HydrophobicContact CG1-CG1 4.39Å; V172-V184 HydrophobicContact CG2-CG1 4.15Å; V172-T188 HydrophobicContact CG1-CG2 4.44Å |
| 173 | D | 93.4 | Very high | 92.7 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | trans | -83 | 69.9 | 166.4 | -177.8 | 19 | 0 | 0 | 0 | 110.1 | F169 D175 G176 Y177 G178 V180 | F169-D173 HydrophobicContact CD1-CB 4.12Å; F169-D173 HydrophobicContact CE1-CB 3.91Å; F169-D173 PolarHBondContact O-N 3.3Å; D173-D175 PolarHBondContact O-N 3.43Å; D173-D175 VanDerWaalsContact O-N 3.17Å; D173-G176 PolarHBondContact O-N 3.09Å; D173-G176 VanDerWaalsContact O-N 3.11Å; D173-G176 PolarHBondContact OD1-N 3.05Å; D173-G176 WeakPolarHBondContact OD2-CA 3.36Å; D173-Y177 PolarHBondContact OD1-N 2.73Å; D173-Y177 VanDerWaalsContact OD1-N 3.14Å; D173-Y177 PolarHBondContact OD2-N 2.79Å; D173-G178 VanDerWaalsContact OD2-CA 3.29Å; D173-G178 WeakPolarHBondContact OD2-CA 3.45Å; D173-G178 PolarHBondContact OD2-N 3.27Å; D173-V180 HydrophobicContact CB-CG1 3.84Å | ||
| 174 | E | 86.9 | Confident | 92.8 | Very high | 182 Ų | 182 | 60.6 Ų | 60.6 | 85% | 0.85 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -31.3 | -176.7 | -64.7 | -173.6 | 169.9 | 0 | 0 | 112.8 | V172 | V172-E174 VanDerWaalsContact C-N 3.28Å; V172-E174 PolarHBondContact O-N 2.99Å |
| 175 | D | 86.4 | Confident | 92.8 | Very high | 124 Ų | 124 | 60 Ų | 60 | 66% | 0.663 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -14.5 | -177.6 | -63.6 | -52.9 | 0 | 0 | 0 | 113.6 | D173 Y177 | D173-D175 PolarHBondContact O-N 3.43Å; D173-D175 VanDerWaalsContact O-N 3.17Å; D175-Y177 VanDerWaalsContact C-N 3.32Å; D175-Y177 HydrophobicContact CB-CD2 3.29Å; D175-Y177 HydrophobicContact CB-CE2 3.41Å; D175-Y177 VanDerWaalsContact CB-CE2 3.41Å; D175-Y177 HydrophobicContact CB-CG 4.26Å; D175-Y177 PolarHBondContact O-N 3.19Å |
| 176 | G | 87.3 | Confident | 92.9 | Very high | 61 Ų | 61 | 60 Ų | 60 | 63% | 0.629 | 35% | 0.347 | S | S | * | . | trans | 69.5 | 23.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D173 G178 | D173-G176 PolarHBondContact O-N 3.09Å; D173-G176 VanDerWaalsContact O-N 3.11Å; D173-G176 PolarHBondContact OD1-N 3.05Å; D173-G176 WeakPolarHBondContact OD2-CA 3.36Å; G176-G178 VanDerWaalsContact C-N 3.3Å | ||
| 177 | Y | 88.9 | Confident | 92.9 | Very high | 180 Ų | 180 | 63.4 Ų | 63.4 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -83.1 | -5.6 | -179.5 | -68.9 | -56.6 | 0 | 0 | 0 | 113.2 | D173 D175 I179 | D173-Y177 PolarHBondContact OD1-N 2.73Å; D173-Y177 VanDerWaalsContact OD1-N 3.14Å; D173-Y177 PolarHBondContact OD2-N 2.79Å; D175-Y177 VanDerWaalsContact C-N 3.32Å; D175-Y177 HydrophobicContact CB-CD2 3.29Å; D175-Y177 HydrophobicContact CB-CE2 3.41Å; D175-Y177 VanDerWaalsContact CB-CE2 3.41Å; D175-Y177 HydrophobicContact CB-CG 4.26Å; D175-Y177 PolarHBondContact O-N 3.19Å; Y177-I179 VanDerWaalsContact C-N 3.27Å |
| 178 | G | 89.3 | Confident | 93 | Very high | 30 Ų | 30 | 61.4 Ų | 61.4 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 76.9 | 13.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D173 G176 R221 | D173-G178 VanDerWaalsContact OD2-CA 3.29Å; D173-G178 WeakPolarHBondContact OD2-CA 3.45Å; D173-G178 PolarHBondContact OD2-N 3.27Å; G176-G178 VanDerWaalsContact C-N 3.3Å; G178-R221 PolarHBondContact O-N 3.39Å |
| 179 | I | 92.3 | Very high | 93 | Very high | 74 Ų | 74 | 59.3 Ų | 59.3 | 38% | 0.379 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.1 | 179.8 | 56.5 | 169 | 0 | 0 | 0 | 110.3 | Y177 V219 T220 | Y177-I179 VanDerWaalsContact C-N 3.27Å; I179-V219 WeakPolarHBondContact CA-O 3.44Å; I179-T220 HydrophobicContact CG2-CG2 4.1Å |
| 180 | V | 94.6 | Very high | 92.9 | Very high | 10 Ų | 10 | 60.7 Ų | 60.7 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 163.7 | 173.9 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | F169 V172 D173 V184 A185 H218 V219 | F169-V180 HydrophobicContact CD2-CG2 4.44Å; F169-V180 HydrophobicContact CE1-CG1 4.17Å; F169-V180 HydrophobicContact CE2-CB 4.49Å; F169-V180 HydrophobicContact CE2-CG1 4.22Å; F169-V180 HydrophobicContact CE2-CG2 3.57Å; F169-V180 HydrophobicContact CZ-CB 4.32Å; F169-V180 HydrophobicContact CZ-CG1 3.82Å; F169-V180 HydrophobicContact CZ-CG2 3.83Å; V172-V180 HydrophobicContact CG2-CG1 4.29Å; D173-V180 HydrophobicContact CB-CG1 3.84Å; V180-V184 HydrophobicContact CB-CG1 4.39Å; V180-A185 HydrophobicContact CG2-CB 3.92Å; V180-H218 CarbonylContact O-C 3.58Å; V180-H218 VanDerWaalsContact O-CA 3.28Å; V180-H218 WeakPolarHBondContact O-CA 3.26Å; V180-V219 HydrophobicContact CG2-CB 4.44Å; V180-V219 PolarHBondContact N-O 3.15Å; V180-V219 PolarHBondContact O-N 2.9Å |
| 181 | S | 94.2 | Very high | 92.9 | Very high | 49 Ų | 49 | 65.4 Ų | 65.4 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 150.8 | 173.6 | 68.5 | 0 | 0 | 0 | 0 | 111.4 | D183 V184 A185 | S181-D183 PolarHBondContact O-N 3.37Å; S181-V184 PolarHBondContact O-N 3.21Å; S181-V184 VanDerWaalsContact OG-CG2 3.26Å; S181-V184 WeakPolarHBondContact OG-CG2 3.39Å; S181-V184 PolarHBondContact OG-N 2.9Å; S181-A185 PolarHBondContact O-N 2.87Å |
| 182 | E | 94.1 | Very high | 92.8 | Very high | 28 Ų | 28 | 60.4 Ų | 60.4 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.2 | -42.7 | 176.4 | -172 | -170.8 | 109.8 | 0 | 0 | 111.8 | V184 A185 V186 R202 F205 S217 V219 | E182-V184 VanDerWaalsContact C-N 3.34Å; E182-V184 PolarHBondContact O-N 2.92Å; E182-A185 PolarHBondContact O-N 3.42Å; E182-V186 HydrophobicContact CG-CG2 4.04Å; E182-V186 VanDerWaalsContact O-CB 3.3Å; E182-V186 WeakPolarHBondContact O-CB 3.38Å; E182-V186 WeakPolarHBondContact O-CG2 3.36Å; E182-V186 PolarHBondContact O-N 3.47Å; E182-R202 WeakPolarHBondContact OE1-CG 3.46Å; E182-R202 IonicContact OE1-CZ 2.87Å; E182-R202 IonicContact OE1-NH1 3.71Å; E182-R202 PolarHBondContact OE1-NH1 2.96Å; E182-F205 HydrophobicContact CG-CD2 4.46Å; E182-S217 PolarHBondContact N-O 3.31Å; E182-S217 VanDerWaalsContact N-O 3.1Å; E182-V219 HydrophobicContact CB-CG2 4.4Å |
| 183 | D | 94.3 | Very high | 92.5 | Very high | 91 Ų | 91 | 60.1 Ų | 60.1 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | -179.4 | -67 | -31.7 | 0 | 0 | 0 | 112.9 | S181 T187 R202 | S181-D183 PolarHBondContact O-N 3.37Å; D183-T187 WeakPolarHBondContact O-CB 3.45Å; D183-T187 PolarHBondContact O-N 2.95Å; D183-T187 PolarHBondContact O-OG1 3.46Å; D183-R202 IonicContact OD1-CZ 2.9Å; D183-R202 IonicContact OD1-NH1 2.84Å; D183-R202 PolarHBondContact OD1-NH1 2.98Å; D183-R202 IonicContact OD1-NH2 3.81Å; D183-R202 PolarHBondContact OD1-NH2 3.36Å |
| 184 | V | 95.3 | Very high | 92.1 | Very high | 55 Ų | 55 | 63.1 Ų | 63.1 | 33% | 0.333 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.6 | -45.1 | 177.7 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | V172 V180 S181 E182 V186 T187 T188 | V172-V184 HydrophobicContact CB-CG1 3.74Å; V172-V184 HydrophobicContact CG1-CG1 4.39Å; V172-V184 HydrophobicContact CG2-CG1 4.15Å; V180-V184 HydrophobicContact CB-CG1 4.39Å; S181-V184 PolarHBondContact O-N 3.21Å; S181-V184 VanDerWaalsContact OG-CG2 3.26Å; S181-V184 WeakPolarHBondContact OG-CG2 3.39Å; S181-V184 PolarHBondContact OG-N 2.9Å; E182-V184 VanDerWaalsContact C-N 3.34Å; E182-V184 PolarHBondContact O-N 2.92Å; V184-V186 PolarHBondContact O-N 2.9Å; V184-T187 PolarHBondContact O-N 3.21Å; V184-T188 WeakPolarHBondContact O-CB 3.45Å; V184-T188 PolarHBondContact O-N 2.84Å; V184-T188 PolarHBondContact O-OG1 2.6Å |
| 185 | A | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V180 S181 E182 T188 V189 F205 V219 F224 | V180-A185 HydrophobicContact CG2-CB 3.92Å; S181-A185 PolarHBondContact O-N 2.87Å; E182-A185 PolarHBondContact O-N 3.42Å; A185-T188 WeakPolarHBondContact O-CB 3.09Å; A185-T188 PolarHBondContact O-N 3.24Å; A185-V189 WeakPolarHBondContact O-CG2 3.5Å; A185-V189 PolarHBondContact O-N 2.78Å; A185-F205 HydrophobicContact CB-CE2 3.93Å; A185-F205 HydrophobicContact CB-CZ 3.92Å; A185-V219 HydrophobicContact CB-CB 3.91Å; A185-V219 HydrophobicContact CB-CG1 4.02Å; A185-V219 HydrophobicContact CB-CG2 3.93Å; A185-F224 HydrophobicContact CB-CD2 4.24Å |
| 186 | V | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 178.8 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | E182 V184 T188 V189 C190 E198 V201 R202 F205 | E182-V186 HydrophobicContact CG-CG2 4.04Å; E182-V186 VanDerWaalsContact O-CB 3.3Å; E182-V186 WeakPolarHBondContact O-CB 3.38Å; E182-V186 WeakPolarHBondContact O-CG2 3.36Å; E182-V186 PolarHBondContact O-N 3.47Å; V184-V186 PolarHBondContact O-N 2.9Å; V186-T188 PolarHBondContact O-N 3.49Å; V186-V189 PolarHBondContact O-N 3.1Å; V186-C190 PolarHBondContact O-N 3.12Å; V186-C190 PolarHBondContact O-SG 3.42Å; V186-C190 VanDerWaalsContact O-SG 3.35Å; V186-E198 HydrophobicContact CG1-CB 4.4Å; V186-E198 HydrophobicContact CG1-CG 3.23Å; V186-V201 HydrophobicContact CB-CG1 4.36Å; V186-V201 HydrophobicContact CG1-CB 4.36Å; V186-V201 HydrophobicContact CG1-CG1 4.39Å; V186-V201 HydrophobicContact CG2-CB 4.5Å; V186-V201 HydrophobicContact CG2-CG1 4.01Å; V186-R202 HydrophobicContact CB-CG 4.46Å; V186-R202 HydrophobicContact CG1-CG 4.14Å; V186-R202 HydrophobicContact CG2-CG 3.53Å; V186-F205 HydrophobicContact CG2-CD2 3.84Å; V186-F205 HydrophobicContact CG2-CE2 3.8Å |
| 187 | T | 95.7 | Very high | 91.8 | Very high | 92 Ų | 92 | 54.3 Ų | 54.3 | 56% | 0.564 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58.8 | -39.6 | 176.7 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | D183 V184 K191 | D183-T187 WeakPolarHBondContact O-CB 3.45Å; D183-T187 PolarHBondContact O-N 2.95Å; D183-T187 PolarHBondContact O-OG1 3.46Å; V184-T187 PolarHBondContact O-N 3.21Å; T187-K191 WeakPolarHBondContact O-CB 3.32Å; T187-K191 PolarHBondContact O-N 3.36Å |
| 188 | T | 95.8 | Very high | 92 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.2 | -47.3 | 178.6 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | V172 V184 A185 V186 C190 K191 L192 F224 | V172-T188 HydrophobicContact CG1-CG2 4.44Å; V184-T188 WeakPolarHBondContact O-CB 3.45Å; V184-T188 PolarHBondContact O-N 2.84Å; V184-T188 PolarHBondContact O-OG1 2.6Å; A185-T188 WeakPolarHBondContact O-CB 3.09Å; A185-T188 PolarHBondContact O-N 3.24Å; V186-T188 PolarHBondContact O-N 3.49Å; T188-C190 PolarHBondContact O-N 2.91Å; T188-K191 WeakPolarHBondContact O-CB 3.49Å; T188-K191 PolarHBondContact O-N 3.35Å; T188-L192 HydrophobicContact CG2-CD1 4.33Å; T188-L192 WeakPolarHBondContact O-CG 3.06Å; T188-L192 PolarHBondContact O-N 3.17Å; T188-F224 HydrophobicContact CG2-CE2 3.96Å; T188-F224 HydrophobicContact CG2-CZ 3.8Å |
| 189 | V | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | A185 V186 K191 L192 C193 V201 F205 F224 F228 | A185-V189 WeakPolarHBondContact O-CG2 3.5Å; A185-V189 PolarHBondContact O-N 2.78Å; V186-V189 PolarHBondContact O-N 3.1Å; V189-K191 VanDerWaalsContact C-N 3.26Å; V189-K191 PolarHBondContact O-N 3.47Å; V189-L192 PolarHBondContact O-N 3.06Å; V189-L192 VanDerWaalsContact O-N 3.12Å; V189-C193 PolarHBondContact O-N 2.93Å; V189-V201 HydrophobicContact CB-CG1 3.87Å; V189-V201 HydrophobicContact CB-CG2 4.44Å; V189-V201 HydrophobicContact CG1-CG1 3.9Å; V189-V201 HydrophobicContact CG1-CG2 3.84Å; V189-V201 HydrophobicContact CG2-CG1 4.13Å; V189-F205 HydrophobicContact CG2-CZ 4.21Å; V189-F224 HydrophobicContact CG2-CD2 4.08Å; V189-F224 HydrophobicContact CG2-CE2 3.57Å; V189-F224 HydrophobicContact CG2-CZ 4.21Å; V189-F228 HydrophobicContact CG1-CD2 4.29Å; V189-F228 HydrophobicContact CG2-CD2 4.5Å |
| 190 | C | 93.6 | Very high | 91.9 | Very high | 33 Ų | 33 | 52.3 Ų | 52.3 | 22% | 0.223 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -32.2 | 178.3 | -68.8 | 0 | 0 | 0 | 0 | 112.9 | V186 T188 C193 I196 | V186-C190 PolarHBondContact O-N 3.12Å; V186-C190 PolarHBondContact O-SG 3.42Å; V186-C190 VanDerWaalsContact O-SG 3.35Å; T188-C190 PolarHBondContact O-N 2.91Å; C190-C193 CarbonylContact O-C 3.6Å; C190-I196 HydrophobicContact CB-CG2 4.42Å |
| 191 | K | 93.9 | Very high | 91.8 | Very high | 161 Ų | 161 | 51.9 Ų | 51.9 | 70% | 0.7 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -70.2 | -40 | 173.8 | 179.4 | -174.2 | 172.6 | -167.4 | 0 | 111.9 | T187 T188 V189 | T187-K191 WeakPolarHBondContact O-CB 3.32Å; T187-K191 PolarHBondContact O-N 3.36Å; T188-K191 WeakPolarHBondContact O-CB 3.49Å; T188-K191 PolarHBondContact O-N 3.35Å; V189-K191 VanDerWaalsContact C-N 3.26Å; V189-K191 PolarHBondContact O-N 3.47Å |
| 192 | L | 92.7 | Very high | 91.8 | Very high | 23 Ų | 23 | 51.9 Ų | 51.9 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74.6 | -30.4 | -179.3 | -67.1 | -178.7 | 0 | 0 | 0 | 113 | W164 L165 E168 T188 V189 F224 F228 | W164-L192 HydrophobicContact CZ2-CD1 4.41Å; W164-L192 HydrophobicContact CZ2-CD2 4.01Å; L165-L192 HydrophobicContact CD2-CD1 4.36Å; E168-L192 HydrophobicContact CB-CD1 4.2Å; E168-L192 HydrophobicContact CG-CD1 4.17Å; E168-L192 HydrophobicContact CG-CD2 4.18Å; T188-L192 HydrophobicContact CG2-CD1 4.33Å; T188-L192 WeakPolarHBondContact O-CG 3.06Å; T188-L192 PolarHBondContact O-N 3.17Å; V189-L192 PolarHBondContact O-N 3.06Å; V189-L192 VanDerWaalsContact O-N 3.12Å; L192-F224 HydrophobicContact CD1-CZ 4.08Å; L192-F228 HydrophobicContact CB-CD2 4.48Å; L192-F228 HydrophobicContact CB-CE2 3.64Å; L192-F228 HydrophobicContact CB-CZ 4.35Å; L192-F228 HydrophobicContact CD1-CD2 4.35Å; L192-F228 HydrophobicContact CD1-CE2 4.07Å |
| 193 | C | 89 | Confident | 91.6 | Very high | 38 Ų | 38 | 55.1 Ų | 55.1 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -126.3 | 83.1 | 177.4 | -169.7 | 0 | 0 | 0 | 0 | 110.8 | V189 C190 G195 I196 C232 | V189-C193 PolarHBondContact O-N 2.93Å; C190-C193 CarbonylContact O-C 3.6Å; C193-G195 PolarHBondContact O-N 3.11Å; C193-I196 HydrophobicContact CB-CG2 4.41Å; C193-I196 VanDerWaalsContact O-CG2 3.29Å; C193-I196 WeakPolarHBondContact O-CG2 3.28Å; C193-I196 PolarHBondContact O-N 3.45Å; C193-C232 HydrophobicContact CB-CB 4.3Å; C193-C232 VanDerWaalsContact CB-SG 3.52Å |
| 194 | P | 84.4 | Confident | 91.5 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 54% | 0.539 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 126.7 | -179.2 | -22.9 | 33.9 | 0 | 0 | 0 | 111.7 | ||
| 195 | G | 80.9 | Confident | 91.4 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.6 | -14 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | C193 N708 | C193-G195 PolarHBondContact O-N 3.11Å; G195-N708 VanDerWaalsContact C-ND2 3.33Å; G195-N708 WeakPolarHBondContact CA-ND2 3.38Å; G195-N708 PolarHBondContact O-ND2 3.01Å |
| 196 | I | 87 | Confident | 91.2 | Very high | 27 Ų | 27 | 55.7 Ų | 55.7 | 14% | 0.138 | 29% | 0.294 | C | S | . | . | trans | -68.1 | 136 | 169.9 | -163.6 | 166.4 | 0 | 0 | 0 | 110.6 | C190 C193 K200 V201 L231 | C190-I196 HydrophobicContact CB-CG2 4.42Å; C193-I196 HydrophobicContact CB-CG2 4.41Å; C193-I196 VanDerWaalsContact O-CG2 3.29Å; C193-I196 WeakPolarHBondContact O-CG2 3.28Å; C193-I196 PolarHBondContact O-N 3.45Å; I196-K200 HydrophobicContact CG1-CD 4.45Å; I196-V201 HydrophobicContact CD1-CG2 3.78Å; I196-V201 HydrophobicContact CG1-CG2 3.94Å; I196-V201 HydrophobicContact CG2-CG2 3.92Å; I196-L231 HydrophobicContact CD1-CB 3.7Å; I196-L231 HydrophobicContact CD1-CD1 3.99Å; I196-L231 HydrophobicContact CD1-CD2 4.35Å; I196-L231 HydrophobicContact CD1-CG 4.24Å | ||
| 197 | K | 87.2 | Confident | 91 | Very high | 126 Ų | 126 | 59.4 Ų | 59.4 | 55% | 0.548 | 31% | 0.312 | S | S | . | . | trans | -74.8 | 131.1 | 178.5 | -65.4 | 172.9 | -172.3 | 151.3 | 0 | 110.1 | A199 K200 V201 D750 | K197-A199 VanDerWaalsContact C-N 3.27Å; K197-A199 PolarHBondContact O-N 3.47Å; K197-K200 HydrophobicContact CB-CB 4.38Å; K197-K200 VanDerWaalsContact O-CB 3.3Å; K197-K200 WeakPolarHBondContact O-CB 3.17Å; K197-K200 PolarHBondContact O-N 3.18Å; K197-V201 PolarHBondContact O-N 2.95Å; K197-D750 IonicContact NZ-OD1 3.24Å; K197-D750 PolarHBondContact NZ-OD1 2.65Å | ||
| 198 | E | 92.3 | Very high | 90.7 | Very high | 100 Ų | 100 | 55.1 Ų | 55.1 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -52.1 | -44.6 | 178.1 | -165.5 | -170.2 | 140.5 | 0 | 0 | 112.7 | V186 K200 V201 R202 | V186-E198 HydrophobicContact CG1-CB 4.4Å; V186-E198 HydrophobicContact CG1-CG 3.23Å; E198-K200 PolarHBondContact O-N 2.79Å; E198-V201 PolarHBondContact O-N 3.36Å; E198-V201 VanDerWaalsContact O-N 3.14Å; E198-R202 PolarHBondContact O-N 2.94Å; E198-R202 IonicContact OE1-CZ 3.95Å; E198-R202 IonicContact OE1-NE 3.55Å; E198-R202 PolarHBondContact OE1-NE 3.14Å; E198-R202 IonicContact OE1-NH2 2.68Å; E198-R202 PolarHBondContact OE1-NH2 3.26Å |
| 199 | A | 90.1 | Very high | 90.4 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 62% | 0.62 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57.8 | -34.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K197 L203 | K197-A199 VanDerWaalsContact C-N 3.27Å; K197-A199 PolarHBondContact O-N 3.47Å; A199-L203 WeakPolarHBondContact O-CB 3.36Å; A199-L203 PolarHBondContact O-N 3.28Å |
| 200 | K | 88.2 | Confident | 90.1 | Very high | 67 Ų | 67 | 63.2 Ų | 63.2 | 29% | 0.291 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.1 | -43.3 | 177.9 | -173 | 179.3 | -175.9 | 173.1 | 0 | 111.3 | I196 K197 E198 L203 R204 L231 D750 | I196-K200 HydrophobicContact CG1-CD 4.45Å; K197-K200 HydrophobicContact CB-CB 4.38Å; K197-K200 VanDerWaalsContact O-CB 3.3Å; K197-K200 WeakPolarHBondContact O-CB 3.17Å; K197-K200 PolarHBondContact O-N 3.18Å; E198-K200 PolarHBondContact O-N 2.79Å; K200-L203 PolarHBondContact O-N 3.33Å; K200-R204 PolarHBondContact O-N 3.22Å; K200-L231 HydrophobicContact CD-CD2 4.16Å; K200-L231 HydrophobicContact CG-CD2 3.97Å; K200-D750 VanDerWaalsContact CD-OD2 3.31Å; K200-D750 WeakPolarHBondContact CD-OD2 3.28Å; K200-D750 VanDerWaalsContact CE-OD2 3.31Å; K200-D750 WeakPolarHBondContact CE-OD2 3.39Å; K200-D750 IonicContact NZ-OD2 3.47Å; K200-D750 PolarHBondContact NZ-OD2 3.22Å |
| 201 | V | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 176.9 | -176 | 0 | 0 | 0 | 0 | 110.5 | V186 V189 I196 K197 E198 L203 R204 F205 L231 | V186-V201 HydrophobicContact CB-CG1 4.36Å; V186-V201 HydrophobicContact CG1-CB 4.36Å; V186-V201 HydrophobicContact CG1-CG1 4.39Å; V186-V201 HydrophobicContact CG2-CB 4.5Å; V186-V201 HydrophobicContact CG2-CG1 4.01Å; V189-V201 HydrophobicContact CB-CG1 3.87Å; V189-V201 HydrophobicContact CB-CG2 4.44Å; V189-V201 HydrophobicContact CG1-CG1 3.9Å; V189-V201 HydrophobicContact CG1-CG2 3.84Å; V189-V201 HydrophobicContact CG2-CG1 4.13Å; I196-V201 HydrophobicContact CD1-CG2 3.78Å; I196-V201 HydrophobicContact CG1-CG2 3.94Å; I196-V201 HydrophobicContact CG2-CG2 3.92Å; K197-V201 PolarHBondContact O-N 2.95Å; E198-V201 PolarHBondContact O-N 3.36Å; E198-V201 VanDerWaalsContact O-N 3.14Å; V201-L203 PolarHBondContact O-N 3.49Å; V201-R204 PolarHBondContact O-N 2.94Å; V201-F205 HydrophobicContact CG1-CD2 4.01Å; V201-F205 HydrophobicContact CG1-CE2 3.53Å; V201-F205 HydrophobicContact CG1-CZ 4.28Å; V201-F205 WeakPolarHBondContact O-CD2 3.38Å; V201-F205 PolarHBondContact O-N 3.47Å; V201-F205 VanDerWaalsContact O-N 3.09Å; V201-L231 HydrophobicContact CB-CD1 4.35Å; V201-L231 HydrophobicContact CG1-CD1 4.37Å; V201-L231 HydrophobicContact CG2-CD1 4.19Å |
| 202 | R | 94.2 | Very high | 89.2 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 19% | 0.185 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 176.2 | -71.6 | -177.8 | -174.9 | -80.6 | 3.7 | 112.8 | E182 D183 V186 E198 R204 F205 K206 | E182-R202 WeakPolarHBondContact OE1-CG 3.46Å; E182-R202 IonicContact OE1-CZ 2.87Å; E182-R202 IonicContact OE1-NH1 3.71Å; E182-R202 PolarHBondContact OE1-NH1 2.96Å; D183-R202 IonicContact OD1-CZ 2.9Å; D183-R202 IonicContact OD1-NH1 2.84Å; D183-R202 PolarHBondContact OD1-NH1 2.98Å; D183-R202 IonicContact OD1-NH2 3.81Å; D183-R202 PolarHBondContact OD1-NH2 3.36Å; V186-R202 HydrophobicContact CB-CG 4.46Å; V186-R202 HydrophobicContact CG1-CG 4.14Å; V186-R202 HydrophobicContact CG2-CG 3.53Å; E198-R202 PolarHBondContact O-N 2.94Å; E198-R202 IonicContact OE1-CZ 3.95Å; E198-R202 IonicContact OE1-NE 3.55Å; E198-R202 PolarHBondContact OE1-NE 3.14Å; E198-R202 IonicContact OE1-NH2 2.68Å; E198-R202 PolarHBondContact OE1-NH2 3.26Å; R202-R204 VanDerWaalsContact C-N 3.29Å; R202-R204 PolarHBondContact O-N 3.43Å; R202-F205 PolarHBondContact O-N 3.3Å; R202-K206 WeakPolarHBondContact O-CG 3.29Å; R202-K206 PolarHBondContact O-N 3.41Å |
| 203 | L | 91.1 | Very high | 88.8 | Confident | 96 Ų | 96 | 69.7 Ų | 69.7 | 50% | 0.503 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 177 | -179.1 | 61.4 | 0 | 0 | 0 | 110.7 | A199 K200 V201 F205 K206 E207 | A199-L203 WeakPolarHBondContact O-CB 3.36Å; A199-L203 PolarHBondContact O-N 3.28Å; K200-L203 PolarHBondContact O-N 3.33Å; V201-L203 PolarHBondContact O-N 3.49Å; L203-F205 PolarHBondContact O-N 2.66Å; L203-K206 WeakPolarHBondContact O-CB 3.45Å; L203-K206 PolarHBondContact O-N 3.39Å; L203-E207 WeakPolarHBondContact O-CG 3.49Å; L203-E207 PolarHBondContact O-N 3.38Å |
| 204 | R | 91.3 | Very high | 88.1 | Confident | 64 Ų | 64 | 74.5 Ų | 74.5 | 24% | 0.242 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.8 | -42 | -179.8 | -167.3 | 67.1 | -167.4 | 162.8 | -1.6 | 113 | K200 V201 R202 K206 E207 I208 A227 E230 L231 | K200-R204 PolarHBondContact O-N 3.22Å; V201-R204 PolarHBondContact O-N 2.94Å; R202-R204 VanDerWaalsContact C-N 3.29Å; R202-R204 PolarHBondContact O-N 3.43Å; R204-K206 VanDerWaalsContact C-N 3.28Å; R204-K206 PolarHBondContact O-N 3.01Å; R204-E207 WeakPolarHBondContact CD-OE2 3.49Å; R204-E207 IonicContact CZ-OE2 2.83Å; R204-E207 IonicContact NE-OE2 3.82Å; R204-E207 IonicContact NH1-OE2 3.97Å; R204-E207 PolarHBondContact NH1-OE2 3.4Å; R204-E207 WeakPolarHBondContact O-CB 3.14Å; R204-E207 PolarHBondContact O-N 3.19Å; R204-E207 VanDerWaalsContact O-N 3.13Å; R204-I208 HydrophobicContact CG-CD1 3.99Å; R204-I208 HydrophobicContact CG-CG1 4.5Å; R204-I208 WeakPolarHBondContact O-CG1 3.4Å; R204-I208 PolarHBondContact O-N 2.97Å; R204-A227 HydrophobicContact CG-CB 4.35Å; R204-E230 IonicContact CZ-OE2 2.61Å; R204-E230 IonicContact NE-OE2 3.62Å; R204-E230 PolarHBondContact NE-OE2 2.9Å; R204-E230 IonicContact NH2-OE1 3.06Å; R204-E230 PolarHBondContact NH2-OE1 3.46Å; R204-E230 IonicContact NH2-OE2 3.4Å; R204-E230 PolarHBondContact NH2-OE2 2.92Å; R204-L231 HydrophobicContact CB-CD1 3.8Å; R204-L231 HydrophobicContact CB-CD2 4.11Å; R204-L231 HydrophobicContact CB-CG 4.14Å; R204-L231 HydrophobicContact CG-CD1 4.09Å; R204-L231 HydrophobicContact CG-CD2 4.21Å; R204-L231 HydrophobicContact CG-CG 4.01Å |
| 205 | F | 93.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.3 | -43.7 | 173.7 | -74.9 | -50.2 | 0 | 0 | 0 | 111.8 | E182 A185 V186 V189 V201 R202 L203 E207 I208 Q209 V219 F224 A227 | E182-F205 HydrophobicContact CG-CD2 4.46Å; A185-F205 HydrophobicContact CB-CE2 3.93Å; A185-F205 HydrophobicContact CB-CZ 3.92Å; V186-F205 HydrophobicContact CG2-CD2 3.84Å; V186-F205 HydrophobicContact CG2-CE2 3.8Å; V189-F205 HydrophobicContact CG2-CZ 4.21Å; V201-F205 HydrophobicContact CG1-CD2 4.01Å; V201-F205 HydrophobicContact CG1-CE2 3.53Å; V201-F205 HydrophobicContact CG1-CZ 4.28Å; V201-F205 WeakPolarHBondContact O-CD2 3.38Å; V201-F205 PolarHBondContact O-N 3.47Å; V201-F205 VanDerWaalsContact O-N 3.09Å; R202-F205 PolarHBondContact O-N 3.3Å; L203-F205 PolarHBondContact O-N 2.66Å; F205-E207 VanDerWaalsContact C-N 3.31Å; F205-E207 PolarHBondContact O-N 2.87Å; F205-I208 PolarHBondContact O-N 3.25Å; F205-Q209 VanDerWaalsContact O-CB 3.32Å; F205-Q209 WeakPolarHBondContact O-CB 3.24Å; F205-Q209 VanDerWaalsContact O-CG 3.27Å; F205-Q209 WeakPolarHBondContact O-CG 3.35Å; F205-Q209 PolarHBondContact O-N 2.72Å; F205-V219 HydrophobicContact CD1-CG1 3.93Å; F205-V219 HydrophobicContact CD1-CG2 4.03Å; F205-V219 HydrophobicContact CD2-CG2 4.3Å; F205-V219 HydrophobicContact CE1-CG1 3.55Å; F205-V219 HydrophobicContact CE1-CG2 4.25Å; F205-V219 HydrophobicContact CE2-CG2 4.49Å; F205-V219 HydrophobicContact CG-CG2 4.08Å; F205-V219 HydrophobicContact CZ-CG1 4.05Å; F205-V219 HydrophobicContact CZ-CG2 4.48Å; F205-F224 HydrophobicContact CZ-CD2 4.37Å; F205-A227 HydrophobicContact CD1-CB 3.75Å; F205-A227 HydrophobicContact CE1-CB 3.33Å; F205-A227 HydrophobicContact CZ-CB 3.96Å |
| 206 | K | 91.4 | Very high | 87.8 | Confident | 93 Ų | 93 | 78.2 Ų | 78.2 | 40% | 0.404 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.5 | -34.4 | 176.5 | -69 | 172.8 | -177.1 | 175.3 | 0 | 113.1 | R202 L203 R204 R210 | R202-K206 WeakPolarHBondContact O-CG 3.29Å; R202-K206 PolarHBondContact O-N 3.41Å; L203-K206 WeakPolarHBondContact O-CB 3.45Å; L203-K206 PolarHBondContact O-N 3.39Å; R204-K206 VanDerWaalsContact C-N 3.28Å; R204-K206 PolarHBondContact O-N 3.01Å; K206-R210 WeakPolarHBondContact O-CB 3.41Å; K206-R210 PolarHBondContact O-N 3.4Å |
| 207 | E | 90.2 | Very high | 87.6 | Confident | 79 Ų | 79 | 80.7 Ų | 80.7 | 37% | 0.369 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.6 | -47.5 | 176 | -72 | 171.5 | 173.6 | 0 | 0 | 111.8 | L203 R204 F205 R210 S211 | L203-E207 WeakPolarHBondContact O-CG 3.49Å; L203-E207 PolarHBondContact O-N 3.38Å; R204-E207 WeakPolarHBondContact CD-OE2 3.49Å; R204-E207 IonicContact CZ-OE2 2.83Å; R204-E207 IonicContact NE-OE2 3.82Å; R204-E207 IonicContact NH1-OE2 3.97Å; R204-E207 PolarHBondContact NH1-OE2 3.4Å; R204-E207 WeakPolarHBondContact O-CB 3.14Å; R204-E207 PolarHBondContact O-N 3.19Å; R204-E207 VanDerWaalsContact O-N 3.13Å; F205-E207 VanDerWaalsContact C-N 3.31Å; F205-E207 PolarHBondContact O-N 2.87Å; E207-R210 PolarHBondContact O-N 2.95Å; E207-S211 PolarHBondContact O-N 3.23Å |
| 208 | I | 89.3 | Confident | 87.7 | Confident | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 177.9 | -67.4 | 166.2 | 0 | 0 | 0 | 110.9 | R204 F205 R210 S211 K212 E223 E226 A227 | R204-I208 HydrophobicContact CG-CD1 3.99Å; R204-I208 HydrophobicContact CG-CG1 4.5Å; R204-I208 WeakPolarHBondContact O-CG1 3.4Å; R204-I208 PolarHBondContact O-N 2.97Å; F205-I208 PolarHBondContact O-N 3.25Å; I208-R210 VanDerWaalsContact C-N 3.3Å; I208-R210 PolarHBondContact O-N 3.36Å; I208-S211 PolarHBondContact O-N 3.46Å; I208-S211 PolarHBondContact O-OG 2.99Å; I208-K212 HydrophobicContact CG2-CD 4.28Å; I208-K212 WeakPolarHBondContact O-CG 3.28Å; I208-K212 PolarHBondContact O-N 2.85Å; I208-E223 HydrophobicContact CG2-CB 4.4Å; I208-E223 HydrophobicContact CG2-CG 4.03Å; I208-E226 HydrophobicContact CD1-CB 4.2Å; I208-E226 HydrophobicContact CD1-CG 3.95Å; I208-E226 HydrophobicContact CG1-CG 4.4Å; I208-E226 WeakPolarHBondContact CG2-OE2 3.46Å; I208-A227 HydrophobicContact CD1-CB 3.68Å |
| 209 | Q | 89.8 | Confident | 87.8 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.009 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65 | -35.7 | 177.4 | -76.7 | 177.8 | -6.6 | 0 | 0 | 112.3 | F205 K212 E213 K214 L215 T216 H218 | F205-Q209 VanDerWaalsContact O-CB 3.32Å; F205-Q209 WeakPolarHBondContact O-CB 3.24Å; F205-Q209 VanDerWaalsContact O-CG 3.27Å; F205-Q209 WeakPolarHBondContact O-CG 3.35Å; F205-Q209 PolarHBondContact O-N 2.72Å; Q209-K212 CarbonylContact O-C 3.56Å; Q209-K212 PolarHBondContact O-N 2.83Å; Q209-E213 PolarHBondContact O-N 3.13Å; Q209-K214 WeakPolarHBondContact CB-O 3.48Å; Q209-K214 CarbonylContact O-C 3.55Å; Q209-K214 PolarHBondContact O-N 2.68Å; Q209-L215 HydrophobicContact CB-CD1 4.43Å; Q209-T216 PolarHBondContact NE2-O 3.31Å; Q209-T216 VanDerWaalsContact NE2-O 3.15Å; Q209-T216 PolarHBondContact OE1-O 3.25Å; Q209-H218 PolarHBondContact NE2-O 3.41Å |
| 210 | R | 88.7 | Confident | 87.9 | Confident | 180 Ų | 180 | 72.4 Ų | 72.4 | 68% | 0.679 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.8 | -41.7 | 176.4 | -175.4 | -174.5 | -53.7 | -135.4 | 0.7 | 111.8 | K206 E207 I208 K212 E213 | K206-R210 WeakPolarHBondContact O-CB 3.41Å; K206-R210 PolarHBondContact O-N 3.4Å; E207-R210 PolarHBondContact O-N 2.95Å; I208-R210 VanDerWaalsContact C-N 3.3Å; I208-R210 PolarHBondContact O-N 3.36Å; R210-K212 PolarHBondContact O-N 2.78Å; R210-E213 PolarHBondContact O-N 2.95Å; R210-E213 VanDerWaalsContact O-N 3.11Å |
| 211 | S | 85 | Confident | 88.2 | Confident | 87 Ų | 87 | 74.5 Ų | 74.5 | 61% | 0.608 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.5 | -27.5 | 177 | 68.7 | 0 | 0 | 0 | 0 | 112.3 | E207 I208 | E207-S211 PolarHBondContact O-N 3.23Å; I208-S211 PolarHBondContact O-N 3.46Å; I208-S211 PolarHBondContact O-OG 2.99Å |
| 212 | K | 84.4 | Confident | 88.1 | Confident | 78 Ų | 78 | 78.7 Ų | 78.7 | 34% | 0.339 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 6.8 | 175.3 | -64 | 176.5 | -173.9 | 171.3 | 0 | 114.2 | I208 Q209 R210 K214 E226 | I208-K212 HydrophobicContact CG2-CD 4.28Å; I208-K212 WeakPolarHBondContact O-CG 3.28Å; I208-K212 PolarHBondContact O-N 2.85Å; Q209-K212 CarbonylContact O-C 3.56Å; Q209-K212 PolarHBondContact O-N 2.83Å; R210-K212 PolarHBondContact O-N 2.78Å; K212-K214 WeakPolarHBondContact O-CG 3.22Å; K212-K214 PolarHBondContact O-N 2.89Å; K212-E226 WeakPolarHBondContact CE-OE2 3.44Å; K212-E226 IonicContact NZ-OE2 3.79Å; K212-E226 PolarHBondContact NZ-OE2 3.32Å |
| 213 | E | 82.8 | Confident | 88.1 | Confident | 188 Ų | 188 | 76.8 Ų | 76.8 | 88% | 0.879 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 28.2 | -176.6 | -57 | -175.2 | 167.6 | 0 | 0 | 114.4 | Q209 R210 | Q209-E213 PolarHBondContact O-N 3.13Å; R210-E213 PolarHBondContact O-N 2.95Å; R210-E213 VanDerWaalsContact O-N 3.11Å |
| 214 | K | 75.6 | Confident | 88.3 | Confident | 138 Ų | 138 | 72.2 Ų | 72.2 | 60% | 0.6 | 35% | 0.346 | S | S | * | . | trans | -131.1 | 67.3 | -174.1 | -72.3 | 175.7 | -175 | 178.9 | 0 | 111.7 | Q209 K212 T216 | Q209-K214 WeakPolarHBondContact CB-O 3.48Å; Q209-K214 CarbonylContact O-C 3.55Å; Q209-K214 PolarHBondContact O-N 2.68Å; K212-K214 WeakPolarHBondContact O-CG 3.22Å; K212-K214 PolarHBondContact O-N 2.89Å; K214-T216 PolarHBondContact O-N 2.93Å; K214-T216 VanDerWaalsContact O-N 3.09Å | ||
| 215 | L | 76.2 | Confident | 88.4 | Confident | 122 Ų | 122 | 70.7 Ų | 70.7 | 64% | 0.639 | 34% | 0.342 | S | S | * | . | trans | -70.8 | 105.4 | 174.9 | -156.5 | 77.1 | 0 | 0 | 0 | 109.9 | Q209 | Q209-L215 HydrophobicContact CB-CD1 4.43Š| ||
| 216 | T | 82.9 | Confident | 88.2 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | trans | -136.5 | 162.4 | -178.3 | 85.6 | 0 | 0 | 0 | 0 | 111.6 | Q209 K214 H218 | Q209-T216 PolarHBondContact NE2-O 3.31Å; Q209-T216 VanDerWaalsContact NE2-O 3.15Å; Q209-T216 PolarHBondContact OE1-O 3.25Å; K214-T216 PolarHBondContact O-N 2.93Å; K214-T216 VanDerWaalsContact O-N 3.09Å; T216-H218 PolarHBondContact O-N 3.04Å; T216-H218 PolarHBondContact OG1-N 2.87Å; T216-H218 PolarHBondContact OG1-O 3.19Å | ||
| 217 | S | 82.8 | Confident | 88.2 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -81.1 | 2.6 | 175.5 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | E182 | E182-S217 PolarHBondContact N-O 3.31Å; E182-S217 VanDerWaalsContact N-O 3.1Å |
| 218 | H | 89.7 | Confident | 88.4 | Confident | 88 Ų | 88 | 65.6 Ų | 65.6 | 41% | 0.407 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 145.8 | -176.9 | -57.8 | 81.7 | 0 | 0 | 0 | 109.5 | V180 Q209 T216 | V180-H218 CarbonylContact O-C 3.58Å; V180-H218 VanDerWaalsContact O-CA 3.28Å; V180-H218 WeakPolarHBondContact O-CA 3.26Å; Q209-H218 PolarHBondContact NE2-O 3.41Å; T216-H218 PolarHBondContact O-N 3.04Å; T216-H218 PolarHBondContact OG1-N 2.87Å; T216-H218 PolarHBondContact OG1-O 3.19Å |
| 219 | V | 93.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.7 | 179.6 | 176 | 0 | 0 | 0 | 0 | 107.8 | I179 V180 E182 A185 F205 E223 F224 | I179-V219 WeakPolarHBondContact CA-O 3.44Å; V180-V219 HydrophobicContact CG2-CB 4.44Å; V180-V219 PolarHBondContact N-O 3.15Å; V180-V219 PolarHBondContact O-N 2.9Å; E182-V219 HydrophobicContact CB-CG2 4.4Å; A185-V219 HydrophobicContact CB-CB 3.91Å; A185-V219 HydrophobicContact CB-CG1 4.02Å; A185-V219 HydrophobicContact CB-CG2 3.93Å; F205-V219 HydrophobicContact CD1-CG1 3.93Å; F205-V219 HydrophobicContact CD1-CG2 4.03Å; F205-V219 HydrophobicContact CD2-CG2 4.3Å; F205-V219 HydrophobicContact CE1-CG1 3.55Å; F205-V219 HydrophobicContact CE1-CG2 4.25Å; F205-V219 HydrophobicContact CE2-CG2 4.49Å; F205-V219 HydrophobicContact CG-CG2 4.08Å; F205-V219 HydrophobicContact CZ-CG1 4.05Å; F205-V219 HydrophobicContact CZ-CG2 4.48Å; V219-E223 WeakPolarHBondContact CA-OE2 3.48Å; V219-E223 HydrophobicContact CG1-CB 3.96Å; V219-F224 HydrophobicContact CG1-CB 4.05Å |
| 220 | T | 93.8 | Very high | 88.3 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 162.1 | 172.6 | 81 | 0 | 0 | 0 | 0 | 110.9 | I179 E222 E223 F224 | I179-T220 HydrophobicContact CG2-CG2 4.1Å; T220-E222 PolarHBondContact O-N 3.38Å; T220-E222 PolarHBondContact OG1-N 2.86Å; T220-E222 PolarHBondContact OG1-OE2 3.17Å; T220-E223 PolarHBondContact N-OE2 3.17Å; T220-E223 PolarHBondContact O-N 3.29Å; T220-E223 WeakPolarHBondContact OG1-CG 3.47Å; T220-E223 PolarHBondContact OG1-N 3.45Å; T220-F224 PolarHBondContact O-N 2.95Å |
| 221 | R | 93.4 | Very high | 88.2 | Confident | 110 Ų | 110 | 59.8 Ų | 59.8 | 42% | 0.415 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -54.2 | -41.5 | 173.7 | -177.6 | -176.2 | 61.8 | 165.4 | -0 | 112.6 | F169 G178 F224 Q225 | F169-R221 HydrophobicContact CB-CG 4.37Å; F169-R221 HydrophobicContact CD1-CB 3.9Å; F169-R221 HydrophobicContact CD1-CG 4.08Å; F169-R221 HydrophobicContact CD2-CB 4.46Å; F169-R221 HydrophobicContact CE1-CB 3.89Å; F169-R221 HydrophobicContact CE2-CB 4.42Å; F169-R221 HydrophobicContact CG-CB 4.19Å; F169-R221 HydrophobicContact CG-CG 4.12Å; F169-R221 HydrophobicContact CZ-CB 4.14Å; G178-R221 PolarHBondContact O-N 3.39Å; R221-F224 WeakPolarHBondContact O-CB 3.34Å; R221-F224 PolarHBondContact O-N 3.41Å; R221-Q225 WeakPolarHBondContact O-CG 3.33Å; R221-Q225 PolarHBondContact O-N 3.28Å |
| 222 | E | 91.4 | Very high | 88.4 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 42% | 0.416 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | -179.5 | -62.7 | 68.9 | -145.5 | 0 | 0 | 111.4 | T220 Q225 E226 | T220-E222 PolarHBondContact O-N 3.38Å; T220-E222 PolarHBondContact OG1-N 2.86Å; T220-E222 PolarHBondContact OG1-OE2 3.17Å; E222-Q225 PolarHBondContact O-N 2.91Å; E222-E226 WeakPolarHBondContact O-CB 3.15Å; E222-E226 PolarHBondContact O-N 3.28Å |
| 223 | E | 93.3 | Very high | 88.6 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 174.5 | -68.3 | 172 | 164.2 | 0 | 0 | 112 | I208 V219 T220 A227 | I208-E223 HydrophobicContact CG2-CB 4.4Å; I208-E223 HydrophobicContact CG2-CG 4.03Å; V219-E223 WeakPolarHBondContact CA-OE2 3.48Å; V219-E223 HydrophobicContact CG1-CB 3.96Å; T220-E223 PolarHBondContact N-OE2 3.17Å; T220-E223 PolarHBondContact O-N 3.29Å; T220-E223 WeakPolarHBondContact OG1-CG 3.47Å; T220-E223 PolarHBondContact OG1-N 3.45Å; E223-A227 VanDerWaalsContact O-CB 3.27Å; E223-A227 WeakPolarHBondContact O-CB 3.3Å; E223-A227 PolarHBondContact O-N 3.35Å |
| 224 | F | 95.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -48.2 | 173.7 | 178.5 | -93 | 0 | 0 | 0 | 112 | L165 F169 A185 T188 V189 L192 F205 V219 T220 R221 F228 | L165-F224 HydrophobicContact CD2-CE1 4.24Å; F169-F224 HydrophobicContact CB-CD1 4.27Å; F169-F224 HydrophobicContact CB-CE1 4.49Å; F169-F224 HydrophobicContact CD2-CB 3.65Å; F169-F224 AromaticContact CD2-CD1 3.96Å; F169-F224 HydrophobicContact CD2-CD1 3.96Å; F169-F224 HydrophobicContact CD2-CD2 4.15Å; F169-F224 AromaticContact CD2-CG 3.66Å; F169-F224 HydrophobicContact CD2-CG 3.66Å; F169-F224 HydrophobicContact CE2-CB 3.88Å; F169-F224 HydrophobicContact CE2-CG 4.29Å; A185-F224 HydrophobicContact CB-CD2 4.24Å; T188-F224 HydrophobicContact CG2-CE2 3.96Å; T188-F224 HydrophobicContact CG2-CZ 3.8Å; V189-F224 HydrophobicContact CG2-CD2 4.08Å; V189-F224 HydrophobicContact CG2-CE2 3.57Å; V189-F224 HydrophobicContact CG2-CZ 4.21Å; L192-F224 HydrophobicContact CD1-CZ 4.08Å; F205-F224 HydrophobicContact CZ-CD2 4.37Å; V219-F224 HydrophobicContact CG1-CB 4.05Å; T220-F224 PolarHBondContact O-N 2.95Å; R221-F224 WeakPolarHBondContact O-CB 3.34Å; R221-F224 PolarHBondContact O-N 3.41Å; F224-F228 WeakPolarHBondContact O-CB 3.45Å; F224-F228 PolarHBondContact O-N 3.41Å |
| 225 | Q | 93.2 | Very high | 89.1 | Confident | 32 Ų | 32 | 39 Ų | 39 | 15% | 0.15 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 178.2 | -73.2 | 179.8 | -17.4 | 0 | 0 | 111.8 | S162 L165 R221 E222 F228 C229 | S162-Q225 PolarHBondContact O-NE2 2.87Å; S162-Q225 PolarHBondContact OG-NE2 3.43Å; L165-Q225 HydrophobicContact CB-CG 3.85Å; L165-Q225 HydrophobicContact CD1-CB 4.49Å; L165-Q225 HydrophobicContact CD1-CG 4.32Å; R221-Q225 WeakPolarHBondContact O-CG 3.33Å; R221-Q225 PolarHBondContact O-N 3.28Å; E222-Q225 PolarHBondContact O-N 2.91Å; Q225-F228 PolarHBondContact O-N 3.27Å; Q225-C229 WeakPolarHBondContact O-CB 3.43Å; Q225-C229 PolarHBondContact O-N 3.46Å; Q225-C229 PolarHBondContact O-SG 2.93Å; Q225-C229 VanDerWaalsContact O-SG 3.34Å |
| 226 | E | 90.4 | Very high | 89.6 | Confident | 63 Ų | 63 | 34 Ų | 34 | 29% | 0.294 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61 | -50.4 | 178.7 | -174.1 | 175.6 | -178.1 | 0 | 0 | 111.2 | I208 K212 E222 F228 C229 E230 | I208-E226 HydrophobicContact CD1-CB 4.2Å; I208-E226 HydrophobicContact CD1-CG 3.95Å; I208-E226 HydrophobicContact CG1-CG 4.4Å; I208-E226 WeakPolarHBondContact CG2-OE2 3.46Å; K212-E226 WeakPolarHBondContact CE-OE2 3.44Å; K212-E226 IonicContact NZ-OE2 3.79Å; K212-E226 PolarHBondContact NZ-OE2 3.32Å; E222-E226 WeakPolarHBondContact O-CB 3.15Å; E222-E226 PolarHBondContact O-N 3.28Å; E226-F228 PolarHBondContact O-N 2.91Å; E226-C229 PolarHBondContact O-N 3.42Å; E226-E230 WeakPolarHBondContact O-CG 3.4Å; E226-E230 PolarHBondContact O-N 3.44Å |
| 227 | A | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R204 F205 I208 E223 L231 | R204-A227 HydrophobicContact CG-CB 4.35Å; F205-A227 HydrophobicContact CD1-CB 3.75Å; F205-A227 HydrophobicContact CE1-CB 3.33Å; F205-A227 HydrophobicContact CZ-CB 3.96Å; I208-A227 HydrophobicContact CD1-CB 3.68Å; E223-A227 VanDerWaalsContact O-CB 3.27Å; E223-A227 WeakPolarHBondContact O-CB 3.3Å; E223-A227 PolarHBondContact O-N 3.35Å; A227-L231 VanDerWaalsContact O-CB 3.24Å; A227-L231 WeakPolarHBondContact O-CB 3.41Å; A227-L231 WeakPolarHBondContact O-CD1 3.36Å; A227-L231 WeakPolarHBondContact O-CG 3.41Å; A227-L231 PolarHBondContact O-N 2.96Å |
| 228 | F | 93.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 1% | 0.013 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.9 | -49.2 | 178.9 | -176.1 | -86.1 | 0 | 0 | 0 | 111.4 | W164 L165 V189 L192 F224 Q225 E226 E230 L231 C232 | W164-F228 HydrophobicContact CH2-CE1 4.22Å; W164-F228 AromaticContact CH2-CZ 3.86Å; W164-F228 HydrophobicContact CH2-CZ 3.86Å; W164-F228 AromaticContact CZ3-CE1 3.9Å; W164-F228 HydrophobicContact CZ3-CE1 3.9Å; W164-F228 HydrophobicContact CZ3-CZ 4.03Å; L165-F228 HydrophobicContact CD1-CB 4.35Å; L165-F228 HydrophobicContact CD1-CD1 3.7Å; L165-F228 HydrophobicContact CD1-CE1 4.41Å; L165-F228 HydrophobicContact CD1-CG 4.26Å; L165-F228 HydrophobicContact CD2-CB 4.34Å; L165-F228 HydrophobicContact CD2-CD1 3.54Å; L165-F228 HydrophobicContact CD2-CD2 4.18Å; L165-F228 HydrophobicContact CD2-CE1 3.82Å; L165-F228 HydrophobicContact CD2-CE2 4.44Å; L165-F228 HydrophobicContact CD2-CG 3.73Å; L165-F228 HydrophobicContact CD2-CZ 4.27Å; L165-F228 HydrophobicContact CG-CD1 4.24Å; V189-F228 HydrophobicContact CG1-CD2 4.29Å; V189-F228 HydrophobicContact CG2-CD2 4.5Å; L192-F228 HydrophobicContact CB-CD2 4.48Å; L192-F228 HydrophobicContact CB-CE2 3.64Å; L192-F228 HydrophobicContact CB-CZ 4.35Å; L192-F228 HydrophobicContact CD1-CD2 4.35Å; L192-F228 HydrophobicContact CD1-CE2 4.07Å; F224-F228 WeakPolarHBondContact O-CB 3.45Å; F224-F228 PolarHBondContact O-N 3.41Å; Q225-F228 PolarHBondContact O-N 3.27Å; E226-F228 PolarHBondContact O-N 2.91Å; F228-E230 VanDerWaalsContact C-N 3.35Å; F228-E230 PolarHBondContact O-N 2.72Å; F228-L231 PolarHBondContact O-N 2.87Å; F228-C232 HydrophobicContact CD1-CB 4.3Å; F228-C232 HydrophobicContact CD2-CB 4.38Å; F228-C232 HydrophobicContact CE1-CB 4Å; F228-C232 HydrophobicContact CE2-CB 4.06Å; F228-C232 HydrophobicContact CG-CB 4.49Å; F228-C232 HydrophobicContact CZ-CB 3.87Å; F228-C232 VanDerWaalsContact O-CB 3.23Å; F228-C232 WeakPolarHBondContact O-CB 2.89Å; F228-C232 PolarHBondContact O-N 3.46Å |
| 229 | C | 90.2 | Very high | 90.1 | Very high | 30 Ų | 30 | 23.7 Ų | 23.7 | 20% | 0.203 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | -179.9 | -75.2 | 0 | 0 | 0 | 0 | 111.8 | Q225 E226 T233 | Q225-C229 WeakPolarHBondContact O-CB 3.43Å; Q225-C229 PolarHBondContact O-N 3.46Å; Q225-C229 PolarHBondContact O-SG 2.93Å; Q225-C229 VanDerWaalsContact O-SG 3.34Å; E226-C229 PolarHBondContact O-N 3.42Å; C229-T233 WeakPolarHBondContact O-CB 3.46Å; C229-T233 PolarHBondContact O-N 3.44Å; C229-T233 PolarHBondContact O-OG1 3.41Å |
| 230 | E | 86.9 | Confident | 89.9 | Confident | 16 Ų | 16 | 24 Ų | 24 | 8% | 0.075 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73 | -36.2 | -178.9 | -68.9 | 178.9 | 138.8 | 0 | 0 | 113.1 | K5 R204 E226 F228 | K5-E230 WeakPolarHBondContact CE-OE1 3.36Å; K5-E230 IonicContact NZ-OE1 3.52Å; R204-E230 IonicContact CZ-OE2 2.61Å; R204-E230 IonicContact NE-OE2 3.62Å; R204-E230 PolarHBondContact NE-OE2 2.9Å; R204-E230 IonicContact NH2-OE1 3.06Å; R204-E230 PolarHBondContact NH2-OE1 3.46Å; R204-E230 IonicContact NH2-OE2 3.4Å; R204-E230 PolarHBondContact NH2-OE2 2.92Å; E226-E230 WeakPolarHBondContact O-CG 3.4Å; E226-E230 PolarHBondContact O-N 3.44Å; F228-E230 VanDerWaalsContact C-N 3.35Å; F228-E230 PolarHBondContact O-N 2.72Å |
| 231 | L | 87.1 | Confident | 89.7 | Confident | 17 Ų | 17 | 22.2 Ų | 22.2 | 9% | 0.089 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -81 | -41.2 | -178.3 | -71 | 172.9 | 0 | 0 | 0 | 113.2 | I196 K200 V201 R204 A227 F228 | I196-L231 HydrophobicContact CD1-CB 3.7Å; I196-L231 HydrophobicContact CD1-CD1 3.99Å; I196-L231 HydrophobicContact CD1-CD2 4.35Å; I196-L231 HydrophobicContact CD1-CG 4.24Å; K200-L231 HydrophobicContact CD-CD2 4.16Å; K200-L231 HydrophobicContact CG-CD2 3.97Å; V201-L231 HydrophobicContact CB-CD1 4.35Å; V201-L231 HydrophobicContact CG1-CD1 4.37Å; V201-L231 HydrophobicContact CG2-CD1 4.19Å; R204-L231 HydrophobicContact CB-CD1 3.8Å; R204-L231 HydrophobicContact CB-CD2 4.11Å; R204-L231 HydrophobicContact CB-CG 4.14Å; R204-L231 HydrophobicContact CG-CD1 4.09Å; R204-L231 HydrophobicContact CG-CD2 4.21Å; R204-L231 HydrophobicContact CG-CG 4.01Å; A227-L231 VanDerWaalsContact O-CB 3.24Å; A227-L231 WeakPolarHBondContact O-CB 3.41Å; A227-L231 WeakPolarHBondContact O-CD1 3.36Å; A227-L231 WeakPolarHBondContact O-CG 3.41Å; A227-L231 PolarHBondContact O-N 2.96Å; F228-L231 PolarHBondContact O-N 2.87Å |
| 232 | C | 88.6 | Confident | 89.3 | Confident | 20 Ų | 20 | 17.2 Ų | 17.2 | 14% | 0.135 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -102.2 | -3.8 | -168 | -53.1 | 0 | 0 | 0 | 0 | 113 | C193 F228 R234 | C193-C232 HydrophobicContact CB-CB 4.3Å; C193-C232 VanDerWaalsContact CB-SG 3.52Å; F228-C232 HydrophobicContact CD1-CB 4.3Å; F228-C232 HydrophobicContact CD2-CB 4.38Å; F228-C232 HydrophobicContact CE1-CB 4Å; F228-C232 HydrophobicContact CE2-CB 4.06Å; F228-C232 HydrophobicContact CG-CB 4.49Å; F228-C232 HydrophobicContact CZ-CB 3.87Å; F228-C232 VanDerWaalsContact O-CB 3.23Å; F228-C232 WeakPolarHBondContact O-CB 2.89Å; F228-C232 PolarHBondContact O-N 3.46Å; C232-R234 PolarHBondContact O-N 3.41Å |
| 233 | T | 88.2 | Confident | 88.8 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | trans | -80.2 | 121.6 | 170.5 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | K6 R161 C229 L295 | K6-T233 WeakPolarHBondContact CE-O 3.44Å; K6-T233 PolarHBondContact NZ-O 2.96Å; R161-T233 PolarHBondContact NH1-OG1 2.83Å; R161-T233 PolarHBondContact NH2-OG1 2.89Å; R161-T233 VanDerWaalsContact NH2-OG1 3.15Å; C229-T233 WeakPolarHBondContact O-CB 3.46Å; C229-T233 PolarHBondContact O-N 3.44Å; C229-T233 PolarHBondContact O-OG1 3.41Å; T233-L295 HydrophobicContact CG2-CD2 3.7Å | ||
| 234 | R | 86.1 | Confident | 88.4 | Confident | 12 Ų | 12 | 18.8 Ų | 18.8 | 5% | 0.045 | 10% | 0.096 | C | C | . | . | trans | -91.7 | 115.4 | 172.8 | -93.5 | -174.6 | 59.9 | -178.1 | -0.4 | 109.6 | C232 D236 V237 Y238 H707 E751 F818 | C232-R234 PolarHBondContact O-N 3.41Å; R234-D236 VanDerWaalsContact C-N 3.31Å; R234-D236 VanDerWaalsContact CB-OD1 3.3Å; R234-D236 WeakPolarHBondContact CB-OD1 3.34Å; R234-D236 IonicContact CZ-OD1 3.64Å; R234-D236 IonicContact CZ-OD2 2.83Å; R234-D236 IonicContact NE-OD1 3.32Å; R234-D236 PolarHBondContact NE-OD1 3.22Å; R234-D236 IonicContact NE-OD2 3.96Å; R234-D236 IonicContact NH2-OD1 3.73Å; R234-D236 IonicContact NH2-OD2 3.14Å; R234-D236 PolarHBondContact NH2-OD2 3.4Å; R234-D236 PolarHBondContact O-N 3.26Å; R234-V237 HydrophobicContact CB-CB 3.93Å; R234-V237 HydrophobicContact CB-CG2 3.93Å; R234-V237 VanDerWaalsContact CZ-CG2 3.42Å; R234-V237 PolarHBondContact O-N 2.92Å; R234-Y238 WeakPolarHBondContact O-CB 3.17Å; R234-Y238 PolarHBondContact O-N 3.18Å; R234-H707 WeakPolarHBondContact CD-NE2 3.46Å; R234-H707 PolarHBondContact NE-NE2 2.86Å; R234-H707 PolarHBondContact NH1-CE1 2.94Å; R234-H707 PolarHBondContact NH1-NE2 3.11Å; R234-H707 VanDerWaalsContact NH1-NE2 3.16Å; R234-H707 PolarHBondContact NH2-CE1 2.91Å; R234-H707 PolarHBondContact NH2-NE2 3.17Å; R234-E751 WeakPolarHBondContact CG-OE1 3.31Å; R234-F818 VanDerWaalsContact NH2-CG 3.32Å | ||
| 235 | P | 84.7 | Confident | 87.8 | Confident | 21 Ų | 21 | 18.8 Ų | 18.8 | 14% | 0.136 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | -173.9 | -21.1 | 35.3 | 0 | 0 | 0 | 111.2 | K6 V237 Y238 F239 | K6-P235 HydrophobicContact CD-CG 4.28Å; K6-P235 VanDerWaalsContact CE-CG 3.41Å; K6-P235 HydrophobicContact CG-CG 3.88Å; P235-V237 PolarHBondContact O-N 3.06Å; P235-Y238 PolarHBondContact O-N 3.23Å; P235-F239 HydrophobicContact CB-CD2 4.34Å; P235-F239 HydrophobicContact CB-CE2 4.05Å; P235-F239 WeakPolarHBondContact O-CB 3.48Å; P235-F239 WeakPolarHBondContact O-CD2 3.42Å; P235-F239 WeakPolarHBondContact O-CG 3.37Å; P235-F239 PolarHBondContact O-N 2.97Å |
| 236 | D | 85.8 | Confident | 86.9 | Confident | 16 Ų | 16 | 24 Ų | 24 | 9% | 0.086 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 175.7 | 61.1 | -23.9 | 0 | 0 | 0 | 112.8 | R234 L240 I704 S705 M753 F818 | R234-D236 VanDerWaalsContact C-N 3.31Å; R234-D236 VanDerWaalsContact CB-OD1 3.3Å; R234-D236 WeakPolarHBondContact CB-OD1 3.34Å; R234-D236 IonicContact CZ-OD1 3.64Å; R234-D236 IonicContact CZ-OD2 2.83Å; R234-D236 IonicContact NE-OD1 3.32Å; R234-D236 PolarHBondContact NE-OD1 3.22Å; R234-D236 IonicContact NE-OD2 3.96Å; R234-D236 IonicContact NH2-OD1 3.73Å; R234-D236 IonicContact NH2-OD2 3.14Å; R234-D236 PolarHBondContact NH2-OD2 3.4Å; R234-D236 PolarHBondContact O-N 3.26Å; D236-L240 WeakPolarHBondContact O-CB 3.4Å; D236-L240 PolarHBondContact O-N 2.81Å; D236-I704 HydrophobicContact CB-CG2 3.95Å; D236-S705 PolarHBondContact OD2-OG 3.39Å; D236-M753 HydrophobicContact CB-CE 3.91Å; D236-M753 HydrophobicContact CB-SD 4.12Å; D236-F818 WeakPolarHBondContact OD2-CD1 3.46Å |
| 237 | V | 90.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -74.5 | -38.5 | 175.7 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | R234 P235 L240 L241 L295 F298 A299 L302 | R234-V237 HydrophobicContact CB-CB 3.93Å; R234-V237 HydrophobicContact CB-CG2 3.93Å; R234-V237 VanDerWaalsContact CZ-CG2 3.42Å; R234-V237 PolarHBondContact O-N 2.92Å; P235-V237 PolarHBondContact O-N 3.06Å; V237-L240 PolarHBondContact O-N 3.4Å; V237-L241 WeakPolarHBondContact O-CB 3.24Å; V237-L241 PolarHBondContact O-N 3.14Å; V237-L295 HydrophobicContact CG1-CD1 4.02Å; V237-F298 HydrophobicContact CG1-CD1 3.75Å; V237-F298 HydrophobicContact CG1-CE1 4.19Å; V237-A299 HydrophobicContact CG1-CB 4.18Å; V237-L302 HydrophobicContact CG1-CD1 3.86Å; V237-L302 HydrophobicContact CG2-CD1 4Å |
| 238 | Y | 89.6 | Confident | 84.8 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.1 | -50.3 | 177.8 | 169.2 | -99.8 | 0 | 0 | 0 | 111.6 | V7 S9 A10 T119 R234 P235 L240 L241 V242 E249 L295 | V7-Y238 HydrophobicContact CG1-CE1 4.42Å; S9-Y238 VanDerWaalsContact C-OH 3.24Å; A10-Y238 PolarHBondContact N-OH 3.4Å; T119-Y238 HydrophobicContact CG2-CE1 4.34Å; R234-Y238 WeakPolarHBondContact O-CB 3.17Å; R234-Y238 PolarHBondContact O-N 3.18Å; P235-Y238 PolarHBondContact O-N 3.23Å; Y238-L240 VanDerWaalsContact C-N 3.29Å; Y238-L240 PolarHBondContact O-N 3.44Å; Y238-L241 WeakPolarHBondContact O-CB 3.41Å; Y238-L241 PolarHBondContact O-N 2.96Å; Y238-L241 VanDerWaalsContact O-N 3.15Å; Y238-V242 HydrophobicContact CD1-CG2 4.5Å; Y238-V242 HydrophobicContact CD2-CG2 4.17Å; Y238-V242 HydrophobicContact CE1-CG2 4.04Å; Y238-V242 HydrophobicContact CE2-CG2 3.68Å; Y238-V242 WeakPolarHBondContact O-CG2 3.34Å; Y238-V242 PolarHBondContact O-N 3.01Å; Y238-E249 HydrophobicContact CE2-CG 4.12Å; Y238-E249 PolarHBondContact OH-OE1 3.29Å; Y238-L295 HydrophobicContact CD2-CD2 4.22Å |
| 239 | F | 85.9 | Confident | 84.3 | Confident | 15 Ų | 15 | 27.3 Ų | 27.3 | 7% | 0.066 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.3 | -37.3 | 178.1 | -68.6 | -53.8 | 0 | 0 | 0 | 112 | V7 N115 I116 T119 P235 V242 Q243 | V7-F239 HydrophobicContact CB-CZ 4.38Å; V7-F239 HydrophobicContact CG1-CE1 4.37Å; V7-F239 HydrophobicContact CG1-CZ 3.9Å; N115-F239 HydrophobicContact CB-CB 4.48Å; N115-F239 HydrophobicContact CB-CD1 3.89Å; N115-F239 HydrophobicContact CB-CD2 3.86Å; N115-F239 HydrophobicContact CB-CE1 4Å; N115-F239 HydrophobicContact CB-CE2 3.99Å; N115-F239 HydrophobicContact CB-CG 3.83Å; N115-F239 HydrophobicContact CB-CZ 4.05Å; I116-F239 HydrophobicContact CG1-CZ 3.8Å; T119-F239 WeakPolarHBondContact OG1-CD1 3.49Å; P235-F239 HydrophobicContact CB-CD2 4.34Å; P235-F239 HydrophobicContact CB-CE2 4.05Å; P235-F239 WeakPolarHBondContact O-CB 3.48Å; P235-F239 WeakPolarHBondContact O-CD2 3.42Å; P235-F239 WeakPolarHBondContact O-CG 3.37Å; P235-F239 PolarHBondContact O-N 2.97Å; F239-V242 PolarHBondContact O-N 3.3Å; F239-Q243 WeakPolarHBondContact O-CB 3.32Å; F239-Q243 PolarHBondContact O-N 2.86Å |
| 240 | L | 87.9 | Confident | 84.3 | Confident | 8 Ų | 8 | 25.9 Ų | 25.9 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.8 | -47.5 | 172.4 | 178.8 | 58.3 | 0 | 0 | 0 | 111.7 | D236 V237 Y238 V242 Q243 L244 F259 F298 L302 Y799 F818 | D236-L240 WeakPolarHBondContact O-CB 3.4Å; D236-L240 PolarHBondContact O-N 2.81Å; V237-L240 PolarHBondContact O-N 3.4Å; Y238-L240 VanDerWaalsContact C-N 3.29Å; Y238-L240 PolarHBondContact O-N 3.44Å; L240-V242 PolarHBondContact O-N 3.02Å; L240-Q243 PolarHBondContact O-N 2.87Å; L240-L244 HydrophobicContact CD1-CD1 3.97Å; L240-L244 HydrophobicContact CD1-CG 4.34Å; L240-L244 HydrophobicContact CG-CD1 4.05Å; L240-L244 WeakPolarHBondContact O-CD1 3.42Å; L240-L244 VanDerWaalsContact O-CG 3.23Å; L240-L244 WeakPolarHBondContact O-CG 3.3Å; L240-L244 PolarHBondContact O-N 3.27Å; L240-F259 HydrophobicContact CD2-CE2 4.44Å; L240-F298 HydrophobicContact CB-CE1 4.42Å; L240-F298 HydrophobicContact CD2-CE1 3.93Å; L240-F298 HydrophobicContact CD2-CZ 3.96Å; L240-F298 HydrophobicContact CG-CE1 3.94Å; L240-F298 HydrophobicContact CG-CZ 4.11Å; L240-L302 HydrophobicContact CD2-CD1 4.31Å; L240-Y799 HydrophobicContact CD1-CD2 4.49Å; L240-Y799 HydrophobicContact CD1-CE1 4.19Å; L240-Y799 HydrophobicContact CD1-CE2 3.71Å; L240-Y799 WeakPolarHBondContact CD1-OH 3.47Å; L240-Y799 HydrophobicContact CD2-CD1 3.86Å; L240-Y799 HydrophobicContact CD2-CD2 3.99Å; L240-Y799 HydrophobicContact CD2-CE1 3.83Å; L240-Y799 HydrophobicContact CD2-CE2 3.98Å; L240-Y799 HydrophobicContact CD2-CG 3.92Å; L240-F818 HydrophobicContact CD2-CZ 4.36Å |
| 241 | L | 90.3 | Very high | 84.5 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 177.5 | -177.4 | 83.2 | 0 | 0 | 0 | 111.8 | V237 Y238 Q243 L244 S245 E249 L251 L295 F298 | V237-L241 WeakPolarHBondContact O-CB 3.24Å; V237-L241 PolarHBondContact O-N 3.14Å; Y238-L241 WeakPolarHBondContact O-CB 3.41Å; Y238-L241 PolarHBondContact O-N 2.96Å; Y238-L241 VanDerWaalsContact O-N 3.15Å; L241-Q243 VanDerWaalsContact C-N 3.34Å; L241-Q243 PolarHBondContact O-N 3.01Å; L241-L244 PolarHBondContact O-N 2.83Å; L241-S245 VanDerWaalsContact O-CB 3.27Å; L241-S245 WeakPolarHBondContact O-CB 3.48Å; L241-S245 PolarHBondContact O-N 3Å; L241-S245 PolarHBondContact O-OG 3.42Å; L241-E249 WeakPolarHBondContact CD2-O 3.01Å; L241-L251 HydrophobicContact CD1-CD1 3.87Å; L241-L251 HydrophobicContact CD1-CD2 4.12Å; L241-L251 HydrophobicContact CD1-CG 3.61Å; L241-L295 HydrophobicContact CD2-CB 3.85Å; L241-L295 HydrophobicContact CD2-CD1 4.07Å; L241-F298 HydrophobicContact CB-CD1 3.99Å; L241-F298 HydrophobicContact CB-CE1 4.29Å; L241-F298 HydrophobicContact CD1-CB 3.72Å; L241-F298 HydrophobicContact CD1-CD1 3.67Å; L241-F298 HydrophobicContact CD1-CE1 4.39Å; L241-F298 HydrophobicContact CD1-CG 3.73Å; L241-F298 HydrophobicContact CG-CD1 4.46Å |
| 242 | V | 84.1 | Confident | 84.7 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | -179.1 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | T119 Y238 F239 L240 L244 S245 D247 E249 | T119-V242 HydrophobicContact CG2-CG1 3.93Å; Y238-V242 HydrophobicContact CD1-CG2 4.5Å; Y238-V242 HydrophobicContact CD2-CG2 4.17Å; Y238-V242 HydrophobicContact CE1-CG2 4.04Å; Y238-V242 HydrophobicContact CE2-CG2 3.68Å; Y238-V242 WeakPolarHBondContact O-CG2 3.34Å; Y238-V242 PolarHBondContact O-N 3.01Å; F239-V242 PolarHBondContact O-N 3.3Å; L240-V242 PolarHBondContact O-N 3.02Å; V242-L244 PolarHBondContact O-N 2.84Å; V242-S245 WeakPolarHBondContact CA-OG 3.43Å; V242-S245 PolarHBondContact O-N 2.78Å; V242-S245 PolarHBondContact O-OG 2.88Å; V242-D247 VanDerWaalsContact CG1-OD1 3.3Å; V242-D247 WeakPolarHBondContact CG1-OD1 3.29Å; V242-D247 PolarHBondContact O-N 2.96Å; V242-E249 HydrophobicContact CG2-CG 4.13Å |
| 243 | Q | 82.1 | Confident | 84.8 | Confident | 106 Ų | 106 | 26.2 Ų | 26.2 | 50% | 0.495 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -58.3 | -35.2 | 175.7 | 179.8 | 177.1 | -27.5 | 0 | 0 | 112.5 | F239 L240 L241 | F239-Q243 WeakPolarHBondContact O-CB 3.32Å; F239-Q243 PolarHBondContact O-N 2.86Å; L240-Q243 PolarHBondContact O-N 2.87Å; L241-Q243 VanDerWaalsContact C-N 3.34Å; L241-Q243 PolarHBondContact O-N 3.01Å |
| 244 | L | 85.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 31.5 Ų | 31.5 | 13% | 0.126 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -84.7 | -34 | -179.2 | -64.6 | 168.1 | 0 | 0 | 0 | 113.3 | L240 L241 V242 Q246 L251 F259 E263 F298 | L240-L244 HydrophobicContact CD1-CD1 3.97Å; L240-L244 HydrophobicContact CD1-CG 4.34Å; L240-L244 HydrophobicContact CG-CD1 4.05Å; L240-L244 WeakPolarHBondContact O-CD1 3.42Å; L240-L244 VanDerWaalsContact O-CG 3.23Å; L240-L244 WeakPolarHBondContact O-CG 3.3Å; L240-L244 PolarHBondContact O-N 3.27Å; L241-L244 PolarHBondContact O-N 2.83Å; V242-L244 PolarHBondContact O-N 2.84Å; L244-Q246 VanDerWaalsContact C-N 3.31Å; L244-Q246 PolarHBondContact O-N 2.98Å; L244-L251 HydrophobicContact CB-CD2 3.55Å; L244-F259 HydrophobicContact CD1-CB 4.09Å; L244-F259 HydrophobicContact CD1-CD2 3.29Å; L244-F259 HydrophobicContact CD1-CE2 3.81Å; L244-F259 HydrophobicContact CD1-CG 3.81Å; L244-F259 HydrophobicContact CD2-CB 4.1Å; L244-F259 HydrophobicContact CD2-CD2 3.91Å; L244-F259 HydrophobicContact CD2-CG 4.45Å; L244-F259 HydrophobicContact CG-CD2 4.24Å; L244-E263 HydrophobicContact CD2-CG 4.47Å; L244-F298 HydrophobicContact CD1-CZ 3.91Å |
| 245 | S | 82.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -84.4 | 2.5 | -172.1 | 57.1 | 0 | 0 | 0 | 0 | 115.1 | L241 V242 D247 R248 E249 C250 | L241-S245 VanDerWaalsContact O-CB 3.27Å; L241-S245 WeakPolarHBondContact O-CB 3.48Å; L241-S245 PolarHBondContact O-N 3Å; L241-S245 PolarHBondContact O-OG 3.42Å; V242-S245 WeakPolarHBondContact CA-OG 3.43Å; V242-S245 PolarHBondContact O-N 2.78Å; V242-S245 PolarHBondContact O-OG 2.88Å; S245-D247 PolarHBondContact O-N 3.49Å; S245-R248 PolarHBondContact O-N 2.82Å; S245-R248 PolarHBondContact O-NE 2.87Å; S245-R248 VanDerWaalsContact O-NE 3.17Å; S245-E249 PolarHBondContact OG-N 3.41Å; S245-C250 WeakPolarHBondContact CB-O 3.41Å |
| 246 | Q | 72.8 | Confident | 85.5 | Confident | 142 Ų | 142 | 30.5 Ų | 30.5 | 66% | 0.664 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 46.6 | -170.7 | -55.2 | 176.1 | 17.1 | 0 | 0 | 110.9 | L244 R248 | L244-Q246 VanDerWaalsContact C-N 3.31Å; L244-Q246 PolarHBondContact O-N 2.98Å; Q246-R248 VanDerWaalsContact C-N 3.32Å; Q246-R248 PolarHBondContact O-N 3.13Å |
| 247 | D | 65.9 | Low | 85.8 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 14% | 0.139 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 19 | 174.7 | -47.4 | -71.4 | 0 | 0 | 0 | 116.1 | R122 A126 V242 S245 | R122-D247 WeakPolarHBondContact CB-OD1 3.28Å; R122-D247 WeakPolarHBondContact CB-OD2 3.15Å; A126-D247 HydrophobicContact CB-CB 4.46Å; V242-D247 VanDerWaalsContact CG1-OD1 3.3Å; V242-D247 WeakPolarHBondContact CG1-OD1 3.29Å; V242-D247 PolarHBondContact O-N 2.96Å; S245-D247 PolarHBondContact O-N 3.49Å |
| 248 | R | 72.1 | Confident | 85.7 | Confident | 90 Ų | 90 | 37.8 Ų | 37.8 | 34% | 0.34 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -84.3 | -10.2 | 173.5 | -64.7 | -177.1 | -72.2 | -179.1 | -3.1 | 114.5 | G157 S245 Q246 C250 D252 D255 | G157-R248 PolarHBondContact N-O 3.02Å; S245-R248 PolarHBondContact O-N 2.82Å; S245-R248 PolarHBondContact O-NE 2.87Å; S245-R248 VanDerWaalsContact O-NE 3.17Å; Q246-R248 VanDerWaalsContact C-N 3.32Å; Q246-R248 PolarHBondContact O-N 3.13Å; R248-C250 PolarHBondContact O-N 3.02Å; R248-D252 IonicContact CZ-OD2 3.06Å; R248-D252 IonicContact NH1-OD2 2.72Å; R248-D252 PolarHBondContact NH1-OD2 3.49Å; R248-D252 VanDerWaalsContact NH1-OD2 3.15Å; R248-D252 IonicContact NH2-OD2 2.68Å; R248-D252 PolarHBondContact NH2-OD2 3.28Å; R248-D255 IonicContact CZ-OD2 3.15Å; R248-D255 IonicContact NH2-OD1 3.14Å; R248-D255 PolarHBondContact NH2-OD1 2.7Å; R248-D255 IonicContact NH2-OD2 3.46Å; R248-D255 PolarHBondContact NH2-OD2 2.84Å |
| 249 | E | 83.9 | Confident | 85.8 | Confident | 19 Ų | 19 | 37.6 Ų | 37.6 | 9% | 0.089 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 55.8 | 22.6 | -171.3 | -60.1 | -179.8 | 169.6 | 0 | 0 | 113.6 | A10 S155 G157 Y238 L241 V242 S245 | A10-E249 PolarHBondContact N-OE1 2.92Å; S155-E249 WeakPolarHBondContact CB-OE2 3.46Å; S155-E249 VanDerWaalsContact OG-CD 3.29Å; S155-E249 PolarHBondContact OG-OE2 2.79Å; G157-E249 WeakPolarHBondContact CA-O 3.36Å; Y238-E249 HydrophobicContact CE2-CG 4.12Å; Y238-E249 PolarHBondContact OH-OE1 3.29Å; L241-E249 WeakPolarHBondContact CD2-O 3.01Å; V242-E249 HydrophobicContact CG2-CG 4.13Å; S245-E249 PolarHBondContact OG-N 3.41Å |
| 250 | C | 89.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 145.6 | 172.9 | 63.2 | 0 | 0 | 0 | 0 | 111 | S245 R248 L293 | S245-C250 WeakPolarHBondContact CB-O 3.41Å; R248-C250 PolarHBondContact O-N 3.02Å; C250-L293 CarbonylContact C-O 3.5Å; C250-L293 WeakPolarHBondContact CA-O 3.5Å; C250-L293 WeakPolarHBondContact CB-O 3.24Å |
| 251 | L | 91.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 133.2 | 178.2 | -54.4 | 174 | 0 | 0 | 0 | 110.9 | L241 L244 D255 L292 L293 F298 | L241-L251 HydrophobicContact CD1-CD1 3.87Å; L241-L251 HydrophobicContact CD1-CD2 4.12Å; L241-L251 HydrophobicContact CD1-CG 3.61Å; L244-L251 HydrophobicContact CB-CD2 3.55Å; L251-D255 HydrophobicContact CB-CB 4.07Å; L251-D255 HydrophobicContact CD2-CB 3.87Å; L251-L292 CarbonylContact O-C 3.57Å; L251-L292 WeakPolarHBondContact O-CA 2.99Å; L251-L293 HydrophobicContact CB-CB 4.16Å; L251-L293 HydrophobicContact CD1-CD2 4.47Å; L251-L293 PolarHBondContact N-O 3.47Å; L251-L293 PolarHBondContact O-N 3.44Å; L251-F298 HydrophobicContact CD1-CD2 3.75Å; L251-F298 HydrophobicContact CD1-CE2 3.89Å; L251-F298 HydrophobicContact CD1-CG 4.3Å |
| 252 | D | 91.1 | Very high | 85.9 | Confident | 35 Ų | 35 | 43.5 Ų | 43.5 | 19% | 0.187 | 21% | 0.21 | C | C | . | . | trans | -87.8 | 175.2 | 164.9 | 73.9 | 33.5 | 0 | 0 | 0 | 111.2 | R248 Q254 D255 L256 L292 | R248-D252 IonicContact CZ-OD2 3.06Å; R248-D252 IonicContact NH1-OD2 2.72Å; R248-D252 PolarHBondContact NH1-OD2 3.49Å; R248-D252 VanDerWaalsContact NH1-OD2 3.15Å; R248-D252 IonicContact NH2-OD2 2.68Å; R248-D252 PolarHBondContact NH2-OD2 3.28Å; D252-Q254 PolarHBondContact O-N 2.6Å; D252-Q254 WeakPolarHBondContact OD1-CA 3.37Å; D252-Q254 WeakPolarHBondContact OD1-CB 3.22Å; D252-Q254 PolarHBondContact OD1-N 3.19Å; D252-D255 PolarHBondContact N-OD2 3.43Å; D252-D255 PolarHBondContact O-N 2.82Å; D252-D255 PolarHBondContact OD1-N 3.46Å; D252-L256 WeakPolarHBondContact O-CB 3.34Å; D252-L256 PolarHBondContact O-N 3.08Å; D252-L292 HydrophobicContact CB-CD2 3.96Å | ||
| 253 | P | 90.4 | Very high | 86.1 | Confident | 25 Ų | 25 | 46 Ų | 46 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -27.2 | -179 | -22.7 | 32.9 | 0 | 0 | 0 | 113.9 | R257 C274 W275 L278 G291 | P253-R257 VanDerWaalsContact O-CB 3.25Å; P253-R257 WeakPolarHBondContact O-CB 3.18Å; P253-R257 PolarHBondContact O-N 3.05Å; P253-C274 HydrophobicContact CB-CB 4.46Å; P253-W275 HydrophobicContact CG-CD2 4.23Å; P253-W275 HydrophobicContact CG-CH2 4.34Å; P253-W275 HydrophobicContact CG-CZ2 3.77Å; P253-L278 HydrophobicContact CB-CD1 4.05Å; P253-L278 HydrophobicContact CG-CD1 3.69Å; P253-G291 WeakPolarHBondContact CD-O 3.35Å |
| 254 | Q | 90.4 | Very high | 86.5 | Confident | 112 Ų | 112 | 40.9 Ų | 40.9 | 52% | 0.523 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -79.5 | -41 | 179.8 | -176.3 | 58.3 | 38.8 | 0 | 0 | 110.9 | D252 R257 L258 | D252-Q254 PolarHBondContact O-N 2.6Å; D252-Q254 WeakPolarHBondContact OD1-CA 3.37Å; D252-Q254 WeakPolarHBondContact OD1-CB 3.22Å; D252-Q254 PolarHBondContact OD1-N 3.19Å; Q254-R257 PolarHBondContact O-N 3.46Å; Q254-L258 PolarHBondContact O-N 3.03Å |
| 255 | D | 91.9 | Very high | 86.4 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.064 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 172.5 | -61.8 | -27.4 | 0 | 0 | 0 | 110.6 | R248 L251 D252 R257 L258 F259 | R248-D255 IonicContact CZ-OD2 3.15Å; R248-D255 IonicContact NH2-OD1 3.14Å; R248-D255 PolarHBondContact NH2-OD1 2.7Å; R248-D255 IonicContact NH2-OD2 3.46Å; R248-D255 PolarHBondContact NH2-OD2 2.84Å; L251-D255 HydrophobicContact CB-CB 4.07Å; L251-D255 HydrophobicContact CD2-CB 3.87Å; D252-D255 PolarHBondContact N-OD2 3.43Å; D252-D255 PolarHBondContact O-N 2.82Å; D252-D255 PolarHBondContact OD1-N 3.46Å; D255-R257 VanDerWaalsContact C-N 3.33Å; D255-R257 PolarHBondContact O-N 3.03Å; D255-L258 PolarHBondContact O-N 2.93Å; D255-F259 PolarHBondContact O-N 2.91Å |
| 256 | L | 91.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 178.2 | -179.6 | 60.1 | 0 | 0 | 0 | 110.9 | D252 L258 F259 L260 C274 L277 L278 | D252-L256 WeakPolarHBondContact O-CB 3.34Å; D252-L256 PolarHBondContact O-N 3.08Å; L256-L258 VanDerWaalsContact C-N 3.34Å; L256-L258 PolarHBondContact O-N 3.2Å; L256-F259 HydrophobicContact CD1-CD1 4.13Å; L256-F259 WeakPolarHBondContact O-CB 3.43Å; L256-F259 PolarHBondContact O-N 3.26Å; L256-L260 HydrophobicContact CD1-CD1 4.35Å; L256-L260 HydrophobicContact CD1-CG 4.2Å; L256-L260 HydrophobicContact CG-CD1 4.05Å; L256-L260 HydrophobicContact CG-CG 4.35Å; L256-L260 WeakPolarHBondContact O-CG 3.39Å; L256-L260 PolarHBondContact O-N 2.96Å; L256-C274 HydrophobicContact CD2-CB 4.15Å; L256-C274 HydrophobicContact CG-CB 4.49Å; L256-L277 HydrophobicContact CD2-CB 4.12Å; L256-L278 HydrophobicContact CD2-CD1 4.37Å; L256-L278 HydrophobicContact CD2-CG 4.01Å |
| 257 | R | 90.8 | Very high | 86.2 | Confident | 80 Ų | 80 | 43.3 Ų | 43.3 | 30% | 0.302 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 176 | -178.3 | 178.2 | 172.7 | 176.2 | -1.1 | 111.7 | P253 Q254 D255 L260 E261 A269 | P253-R257 VanDerWaalsContact O-CB 3.25Å; P253-R257 WeakPolarHBondContact O-CB 3.18Å; P253-R257 PolarHBondContact O-N 3.05Å; Q254-R257 PolarHBondContact O-N 3.46Å; D255-R257 VanDerWaalsContact C-N 3.33Å; D255-R257 PolarHBondContact O-N 3.03Å; R257-L260 PolarHBondContact O-N 3.09Å; R257-E261 HydrophobicContact CG-CG 4.44Å; R257-E261 IonicContact CZ-OE1 3.42Å; R257-E261 IonicContact NE-OE1 3.71Å; R257-E261 PolarHBondContact NE-OE1 2.71Å; R257-E261 IonicContact NH2-OE1 2.74Å; R257-E261 PolarHBondContact NH2-OE1 3.02Å; R257-E261 VanDerWaalsContact NH2-OE1 3.14Å; R257-E261 WeakPolarHBondContact O-CB 3.22Å; R257-E261 WeakPolarHBondContact O-CG 3.07Å; R257-E261 PolarHBondContact O-N 3.32Å; R257-A269 HydrophobicContact CG-CB 4.21Å; R257-A269 PolarHBondContact NE-O 2.94Å |
| 258 | L | 90.1 | Very high | 86.7 | Confident | 89 Ų | 89 | 49.2 Ų | 49.2 | 47% | 0.466 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 178 | -176.4 | 67.2 | 0 | 0 | 0 | 110.4 | Q254 D255 L256 L260 E261 T262 | Q254-L258 PolarHBondContact O-N 3.03Å; D255-L258 PolarHBondContact O-N 2.93Å; L256-L258 VanDerWaalsContact C-N 3.34Å; L256-L258 PolarHBondContact O-N 3.2Å; L258-L260 VanDerWaalsContact C-N 3.32Å; L258-L260 PolarHBondContact O-N 3.41Å; L258-E261 PolarHBondContact O-N 2.94Å; L258-T262 HydrophobicContact CD1-CG2 3.62Å; L258-T262 HydrophobicContact CG-CG2 4.18Å; L258-T262 WeakPolarHBondContact O-CB 3.45Å; L258-T262 WeakPolarHBondContact O-CG2 3.45Å; L258-T262 PolarHBondContact O-N 2.71Å; L258-T262 PolarHBondContact O-OG1 3.13Å |
| 259 | F | 91.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.1 | -44.3 | 175.4 | 170.3 | -108.3 | 0 | 0 | 0 | 112.8 | L240 L244 D255 L256 E263 Q264 F298 Y301 L302 Y799 | L240-F259 HydrophobicContact CD2-CE2 4.44Å; L244-F259 HydrophobicContact CD1-CB 4.09Å; L244-F259 HydrophobicContact CD1-CD2 3.29Å; L244-F259 HydrophobicContact CD1-CE2 3.81Å; L244-F259 HydrophobicContact CD1-CG 3.81Å; L244-F259 HydrophobicContact CD2-CB 4.1Å; L244-F259 HydrophobicContact CD2-CD2 3.91Å; L244-F259 HydrophobicContact CD2-CG 4.45Å; L244-F259 HydrophobicContact CG-CD2 4.24Å; D255-F259 PolarHBondContact O-N 2.91Å; L256-F259 HydrophobicContact CD1-CD1 4.13Å; L256-F259 WeakPolarHBondContact O-CB 3.43Å; L256-F259 PolarHBondContact O-N 3.26Å; F259-E263 HydrophobicContact CD2-CB 3.61Å; F259-E263 HydrophobicContact CD2-CG 3.68Å; F259-E263 HydrophobicContact CE2-CB 3.75Å; F259-E263 HydrophobicContact CE2-CG 4.13Å; F259-E263 WeakPolarHBondContact O-CA 3.18Å; F259-E263 WeakPolarHBondContact O-CB 3.37Å; F259-E263 PolarHBondContact O-N 3.18Å; F259-Q264 HydrophobicContact CD1-CG 4.08Å; F259-Q264 HydrophobicContact CE1-CG 3.57Å; F259-Q264 HydrophobicContact CE2-CG 4.34Å; F259-Q264 HydrophobicContact CZ-CG 3.74Å; F259-Q264 PolarHBondContact O-N 3.43Å; F259-F298 HydrophobicContact CD1-CE2 4.17Å; F259-F298 AromaticContact CE1-CE2 3.7Å; F259-F298 HydrophobicContact CE1-CE2 3.7Å; F259-F298 HydrophobicContact CE1-CZ 4.11Å; F259-F298 HydrophobicContact CE2-CE2 4.48Å; F259-F298 HydrophobicContact CE2-CZ 4.1Å; F259-F298 AromaticContact CZ-CE2 3.85Å; F259-F298 HydrophobicContact CZ-CE2 3.85Å; F259-F298 AromaticContact CZ-CZ 3.77Å; F259-F298 HydrophobicContact CZ-CZ 3.77Å; F259-Y301 HydrophobicContact CE1-CD1 4.47Å; F259-Y301 AromaticContact CE1-CE1 3.82Å; F259-Y301 HydrophobicContact CE1-CE1 3.82Å; F259-L302 HydrophobicContact CZ-CD2 4.12Å; F259-Y799 AromaticContact CE2-CD2 3.77Å; F259-Y799 HydrophobicContact CE2-CD2 3.77Å; F259-Y799 HydrophobicContact CE2-CE2 4.14Å; F259-Y799 HydrophobicContact CZ-CD2 4.24Å |
| 260 | L | 91.2 | Very high | 87.4 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 178.9 | -67.3 | 171.9 | 0 | 0 | 0 | 111.3 | L256 R257 L258 Q264 G265 L266 A269 L277 Y301 | L256-L260 HydrophobicContact CD1-CD1 4.35Å; L256-L260 HydrophobicContact CD1-CG 4.2Å; L256-L260 HydrophobicContact CG-CD1 4.05Å; L256-L260 HydrophobicContact CG-CG 4.35Å; L256-L260 WeakPolarHBondContact O-CG 3.39Å; L256-L260 PolarHBondContact O-N 2.96Å; R257-L260 PolarHBondContact O-N 3.09Å; L258-L260 VanDerWaalsContact C-N 3.32Å; L258-L260 PolarHBondContact O-N 3.41Å; L260-Q264 HydrophobicContact CD2-CB 4.42Å; L260-Q264 HydrophobicContact CD2-CG 4.25Å; L260-Q264 CarbonylContact O-C 3.56Å; L260-Q264 WeakPolarHBondContact O-CB 3.36Å; L260-G265 PolarHBondContact O-N 2.94Å; L260-L266 HydrophobicContact CB-CB 4.37Å; L260-L266 HydrophobicContact CB-CD1 4.28Å; L260-L266 HydrophobicContact CD2-CD1 3.86Å; L260-L266 WeakPolarHBondContact O-CA 3.33Å; L260-L266 WeakPolarHBondContact O-CB 3.5Å; L260-L266 PolarHBondContact O-N 3.34Å; L260-A269 HydrophobicContact CB-CB 3.95Å; L260-A269 HydrophobicContact CD1-CB 4.25Å; L260-L277 HydrophobicContact CD1-CD1 3.81Å; L260-L277 HydrophobicContact CD2-CD1 4.44Å; L260-Y301 WeakPolarHBondContact CD2-OH 3.43Å |
| 261 | E | 88.7 | Confident | 87.2 | Confident | 62 Ų | 62 | 51 Ų | 51 | 29% | 0.29 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.6 | -45.6 | -178.8 | -72.3 | 176.4 | 176.4 | 0 | 0 | 112.6 | R257 L258 L266 A269 | R257-E261 HydrophobicContact CG-CG 4.44Å; R257-E261 IonicContact CZ-OE1 3.42Å; R257-E261 IonicContact NE-OE1 3.71Å; R257-E261 PolarHBondContact NE-OE1 2.71Å; R257-E261 IonicContact NH2-OE1 2.74Å; R257-E261 PolarHBondContact NH2-OE1 3.02Å; R257-E261 VanDerWaalsContact NH2-OE1 3.14Å; R257-E261 WeakPolarHBondContact O-CB 3.22Å; R257-E261 WeakPolarHBondContact O-CG 3.07Å; R257-E261 PolarHBondContact O-N 3.32Å; L258-E261 PolarHBondContact O-N 2.94Å; E261-L266 WeakPolarHBondContact CG-O 3.41Å; E261-A269 HydrophobicContact CG-CB 3.98Å |
| 262 | T | 85.8 | Confident | 87.1 | Confident | 82 Ų | 82 | 57.6 Ų | 57.6 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -88.7 | -47 | -172.1 | 64.5 | 0 | 0 | 0 | 0 | 113 | L258 | L258-T262 HydrophobicContact CD1-CG2 3.62Å; L258-T262 HydrophobicContact CG-CG2 4.18Å; L258-T262 WeakPolarHBondContact O-CB 3.45Å; L258-T262 WeakPolarHBondContact O-CG2 3.45Å; L258-T262 PolarHBondContact O-N 2.71Å; L258-T262 PolarHBondContact O-OG1 3.13Å |
| 263 | E | 88.9 | Confident | 87 | Confident | 56 Ų | 56 | 57.3 Ų | 57.3 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -46.2 | -174.3 | -56 | -53.6 | 133.8 | 0 | 0 | 111 | L244 F259 G265 G798 Y799 | L244-E263 HydrophobicContact CD2-CG 4.47Å; F259-E263 HydrophobicContact CD2-CB 3.61Å; F259-E263 HydrophobicContact CD2-CG 3.68Å; F259-E263 HydrophobicContact CE2-CB 3.75Å; F259-E263 HydrophobicContact CE2-CG 4.13Å; F259-E263 WeakPolarHBondContact O-CA 3.18Å; F259-E263 WeakPolarHBondContact O-CB 3.37Å; F259-E263 PolarHBondContact O-N 3.18Å; E263-G265 VanDerWaalsContact C-N 3.33Å; E263-G265 PolarHBondContact O-N 3.47Å; E263-G798 WeakPolarHBondContact O-CA 3.45Å; E263-Y799 HydrophobicContact CB-CD2 4.17Å; E263-Y799 HydrophobicContact CB-CE2 3.98Å; E263-Y799 HydrophobicContact CG-CE2 4.21Å |
| 264 | Q | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -83.2 | -6 | -176.4 | -62.7 | -68.9 | -30.5 | 0 | 0 | 114.4 | F259 L260 L266 Y799 R800 | F259-Q264 HydrophobicContact CD1-CG 4.08Å; F259-Q264 HydrophobicContact CE1-CG 3.57Å; F259-Q264 HydrophobicContact CE2-CG 4.34Å; F259-Q264 HydrophobicContact CZ-CG 3.74Å; F259-Q264 PolarHBondContact O-N 3.43Å; L260-Q264 HydrophobicContact CD2-CB 4.42Å; L260-Q264 HydrophobicContact CD2-CG 4.25Å; L260-Q264 CarbonylContact O-C 3.56Å; L260-Q264 WeakPolarHBondContact O-CB 3.36Å; Q264-L266 VanDerWaalsContact C-N 3.29Å; Q264-L266 HydrophobicContact CB-CD1 4.28Å; Q264-L266 HydrophobicContact CB-CG 4.42Å; Q264-L266 PolarHBondContact O-N 3.13Å; Q264-Y799 VanDerWaalsContact NE2-N 3.2Å; Q264-Y799 PolarHBondContact NE2-O 2.58Å; Q264-Y799 PolarHBondContact OE1-O 3.41Å; Q264-R800 PolarHBondContact O-NH2 3.16Å |
| 265 | G | 84.5 | Confident | 87.1 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | trans | 71.2 | 18.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L260 E263 S267 | L260-G265 PolarHBondContact O-N 2.94Å; E263-G265 VanDerWaalsContact C-N 3.33Å; E263-G265 PolarHBondContact O-N 3.47Å; G265-S267 PolarHBondContact O-N 3.05Å | ||
| 266 | L | 82.5 | Confident | 87 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | trans | -89.4 | 75.4 | 179 | -66 | 167.7 | 0 | 0 | 0 | 111 | L260 E261 Q264 L268 A269 | L260-L266 HydrophobicContact CB-CB 4.37Å; L260-L266 HydrophobicContact CB-CD1 4.28Å; L260-L266 HydrophobicContact CD2-CD1 3.86Å; L260-L266 WeakPolarHBondContact O-CA 3.33Å; L260-L266 WeakPolarHBondContact O-CB 3.5Å; L260-L266 PolarHBondContact O-N 3.34Å; E261-L266 WeakPolarHBondContact CG-O 3.41Å; Q264-L266 VanDerWaalsContact C-N 3.29Å; Q264-L266 HydrophobicContact CB-CD1 4.28Å; Q264-L266 HydrophobicContact CB-CG 4.42Å; Q264-L266 PolarHBondContact O-N 3.13Å; L266-L268 PolarHBondContact O-N 3.33Å; L266-A269 PolarHBondContact O-N 3.46Å | ||
| 267 | S | 68.4 | Low | 87 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 70% | 0.699 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -5.8 | -177.1 | 55.8 | 0 | 0 | 0 | 0 | 118.2 | G265 | G265-S267 PolarHBondContact O-N 3.05Š|
| 268 | L | 76 | Confident | 87.1 | Confident | 150 Ų | 150 | 57.8 Ų | 57.8 | 79% | 0.785 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.7 | 39.7 | -179 | -65.6 | 174.5 | 0 | 0 | 0 | 111.7 | L266 T270 | L266-L268 PolarHBondContact O-N 3.33Å; L268-T270 PolarHBondContact O-N 3.25Å |
| 269 | A | 82.1 | Confident | 87.2 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 12% | 0.116 | 33% | 0.327 | C | S | . | . | trans | -63.9 | 122.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R257 L260 E261 L266 | R257-A269 HydrophobicContact CG-CB 4.21Å; R257-A269 PolarHBondContact NE-O 2.94Å; L260-A269 HydrophobicContact CB-CB 3.95Å; L260-A269 HydrophobicContact CD1-CB 4.25Å; E261-A269 HydrophobicContact CG-CB 3.98Å; L266-A269 PolarHBondContact O-N 3.46Å | ||
| 270 | T | 87.4 | Confident | 87.3 | Confident | 75 Ų | 75 | 66.3 Ų | 66.3 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | trans | -88.9 | 151.1 | 177 | 62.9 | 0 | 0 | 0 | 0 | 110.6 | L268 E272 G273 C274 | L268-T270 PolarHBondContact O-N 3.25Å; T270-E272 VanDerWaalsContact C-N 3.26Å; T270-E272 PolarHBondContact O-N 2.57Å; T270-G273 PolarHBondContact O-N 3.49Å; T270-G273 PolarHBondContact OG1-N 3.43Å; T270-C274 PolarHBondContact O-N 3.42Å; T270-C274 PolarHBondContact O-SG 3.15Å | ||
| 271 | T | 86.7 | Confident | 87.5 | Confident | 57 Ų | 57 | 67.5 Ų | 67.5 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 174.6 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | G273 C274 W275 | T271-G273 VanDerWaalsContact C-N 3.33Å; T271-G273 PolarHBondContact O-N 3.01Å; T271-C274 WeakPolarHBondContact O-CB 3.32Å; T271-C274 PolarHBondContact O-N 2.85Å; T271-W275 PolarHBondContact O-N 2.96Å |
| 272 | E | 88.9 | Confident | 87.8 | Confident | 138 Ų | 138 | 65 Ų | 65 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.7 | -41.4 | 176.5 | -62.2 | 74 | -161.7 | 0 | 0 | 112 | T270 C274 W275 E276 | T270-E272 VanDerWaalsContact C-N 3.26Å; T270-E272 PolarHBondContact O-N 2.57Å; E272-C274 VanDerWaalsContact C-N 3.35Å; E272-W275 PolarHBondContact O-N 3.21Å; E272-E276 PolarHBondContact O-N 3.23Å |
| 273 | G | 89.3 | Confident | 88.3 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | T270 T271 E276 L277 | T270-G273 PolarHBondContact O-N 3.49Å; T270-G273 PolarHBondContact OG1-N 3.43Å; T271-G273 VanDerWaalsContact C-N 3.33Å; T271-G273 PolarHBondContact O-N 3.01Å; G273-E276 PolarHBondContact O-N 3.04Å; G273-L277 WeakPolarHBondContact O-CG 3.41Å; G273-L277 PolarHBondContact O-N 3.36Å |
| 274 | C | 91.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 175.5 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | P253 L256 T270 T271 E272 E276 L277 L278 | P253-C274 HydrophobicContact CB-CB 4.46Å; L256-C274 HydrophobicContact CD2-CB 4.15Å; L256-C274 HydrophobicContact CG-CB 4.49Å; T270-C274 PolarHBondContact O-N 3.42Å; T270-C274 PolarHBondContact O-SG 3.15Å; T271-C274 WeakPolarHBondContact O-CB 3.32Å; T271-C274 PolarHBondContact O-N 2.85Å; E272-C274 VanDerWaalsContact C-N 3.35Å; C274-E276 VanDerWaalsContact C-N 3.31Å; C274-E276 PolarHBondContact O-N 2.78Å; C274-L277 PolarHBondContact O-N 2.94Å; C274-L278 WeakPolarHBondContact O-CB 3.45Å; C274-L278 WeakPolarHBondContact O-CD1 3.44Å; C274-L278 WeakPolarHBondContact O-CG 3.36Å; C274-L278 PolarHBondContact O-N 3.03Å |
| 275 | W | 91.1 | Very high | 88.6 | Confident | 97 Ų | 97 | 62.4 Ų | 62.4 | 37% | 0.367 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 175.3 | -83.5 | 104.5 | 0 | 0 | 0 | 113 | P253 T271 E272 K279 | P253-W275 HydrophobicContact CG-CD2 4.23Å; P253-W275 HydrophobicContact CG-CH2 4.34Å; P253-W275 HydrophobicContact CG-CZ2 3.77Å; T271-W275 PolarHBondContact O-N 2.96Å; E272-W275 PolarHBondContact O-N 3.21Å; W275-K279 WeakPolarHBondContact O-CB 3.35Å; W275-K279 WeakPolarHBondContact O-CG 3.5Å; W275-K279 PolarHBondContact O-N 3.16Å |
| 276 | E | 91.1 | Very high | 88.8 | Confident | 114 Ų | 114 | 62.2 Ų | 62.2 | 53% | 0.533 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 177.7 | -176.4 | 145.1 | 173 | 0 | 0 | 112.2 | E272 G273 C274 K279 R280 | E272-E276 PolarHBondContact O-N 3.23Å; G273-E276 PolarHBondContact O-N 3.04Å; C274-E276 VanDerWaalsContact C-N 3.31Å; C274-E276 PolarHBondContact O-N 2.78Å; E276-K279 PolarHBondContact O-N 3.18Å; E276-R280 WeakPolarHBondContact O-CB 3.38Å; E276-R280 PolarHBondContact O-N 2.62Å; E276-R280 IonicContact OE1-CZ 3.53Å; E276-R280 IonicContact OE1-NH2 3.74Å; E276-R280 PolarHBondContact OE1-NH2 3.42Å |
| 277 | L | 92.3 | Very high | 89.2 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -47 | 173.8 | -70 | 173.5 | 0 | 0 | 0 | 111.3 | L256 L260 G273 C274 K279 R280 Y281 Y301 | L256-L277 HydrophobicContact CD2-CB 4.12Å; L260-L277 HydrophobicContact CD1-CD1 3.81Å; L260-L277 HydrophobicContact CD2-CD1 4.44Å; G273-L277 WeakPolarHBondContact O-CG 3.41Å; G273-L277 PolarHBondContact O-N 3.36Å; C274-L277 PolarHBondContact O-N 2.94Å; L277-K279 PolarHBondContact O-N 3.32Å; L277-R280 PolarHBondContact O-N 3.38Å; L277-Y281 HydrophobicContact CB-CD2 4.46Å; L277-Y281 HydrophobicContact CD2-CD2 4.16Å; L277-Y281 HydrophobicContact CD2-CE2 3.71Å; L277-Y281 VanDerWaalsContact O-CD2 3.3Å; L277-Y281 WeakPolarHBondContact O-CD2 3.27Å; L277-Y281 PolarHBondContact O-N 3.25Å; L277-Y301 HydrophobicContact CD1-CE2 4.04Å; L277-Y301 HydrophobicContact CD2-CD2 4.19Å; L277-Y301 HydrophobicContact CD2-CE2 3.97Å |
| 278 | L | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -52.9 | -54.2 | 174.6 | -85.8 | 158.3 | 0 | 0 | 0 | 111.6 | P253 L256 C274 R280 E282 L293 | P253-L278 HydrophobicContact CB-CD1 4.05Å; P253-L278 HydrophobicContact CG-CD1 3.69Å; L256-L278 HydrophobicContact CD2-CD1 4.37Å; L256-L278 HydrophobicContact CD2-CG 4.01Å; C274-L278 WeakPolarHBondContact O-CB 3.45Å; C274-L278 WeakPolarHBondContact O-CD1 3.44Å; C274-L278 WeakPolarHBondContact O-CG 3.36Å; C274-L278 PolarHBondContact O-N 3.03Å; L278-R280 VanDerWaalsContact C-N 3.28Å; L278-R280 PolarHBondContact O-N 2.85Å; L278-E282 WeakPolarHBondContact O-CB 3.37Å; L278-E282 PolarHBondContact O-N 3.32Å; L278-L293 HydrophobicContact CD2-CB 3.46Å; L278-L293 VanDerWaalsContact CD2-CB 3.46Å; L278-L293 HydrophobicContact CD2-CD1 4.33Å; L278-L293 HydrophobicContact CD2-CG 4.38Å |
| 279 | K | 91.2 | Very high | 90.9 | Very high | 128 Ų | 128 | 60.1 Ų | 60.1 | 56% | 0.557 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.5 | -32.9 | -179.2 | -75.4 | 177.5 | -179.4 | 178.6 | 0 | 113.4 | W275 E276 L277 R288 | W275-K279 WeakPolarHBondContact O-CB 3.35Å; W275-K279 WeakPolarHBondContact O-CG 3.5Å; W275-K279 PolarHBondContact O-N 3.16Å; E276-K279 PolarHBondContact O-N 3.18Å; L277-K279 PolarHBondContact O-N 3.32Å; K279-R288 WeakPolarHBondContact O-CD 3.25Å |
| 280 | R | 94.2 | Very high | 91.2 | Very high | 139 Ų | 139 | 65.9 Ų | 65.9 | 53% | 0.525 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -76.7 | -42.1 | -177.1 | -175 | 178.6 | -62.3 | 172.1 | 1.7 | 112.2 | E276 L277 L278 E306 | E276-R280 WeakPolarHBondContact O-CB 3.38Å; E276-R280 PolarHBondContact O-N 2.62Å; E276-R280 IonicContact OE1-CZ 3.53Å; E276-R280 IonicContact OE1-NH2 3.74Å; E276-R280 PolarHBondContact OE1-NH2 3.42Å; L277-R280 PolarHBondContact O-N 3.38Å; L278-R280 VanDerWaalsContact C-N 3.28Å; L278-R280 PolarHBondContact O-N 2.85Å; R280-E306 IonicContact NH1-OE1 2.85Å; R280-E306 PolarHBondContact NH1-OE1 2.76Å |
| 281 | Y | 95.5 | Very high | 91.3 | Very high | 30 Ų | 30 | 62.3 Ų | 62.3 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -97.9 | -27.4 | -170.4 | -69.9 | -65.7 | 0 | 0 | 0 | 113.9 | L277 P283 G297 R300 Y301 S304 E306 | L277-Y281 HydrophobicContact CB-CD2 4.46Å; L277-Y281 HydrophobicContact CD2-CD2 4.16Å; L277-Y281 HydrophobicContact CD2-CE2 3.71Å; L277-Y281 VanDerWaalsContact O-CD2 3.3Å; L277-Y281 WeakPolarHBondContact O-CD2 3.27Å; L277-Y281 PolarHBondContact O-N 3.25Å; Y281-P283 VanDerWaalsContact O-CD 3.24Å; Y281-P283 WeakPolarHBondContact O-CD 3.23Å; Y281-G297 WeakPolarHBondContact O-CA 3.05Å; Y281-R300 HydrophobicContact CD1-CB 4.15Å; Y281-Y301 AromaticContact CD2-CD2 3.78Å; Y281-Y301 HydrophobicContact CD2-CD2 3.78Å; Y281-Y301 HydrophobicContact CD2-CG 4.41Å; Y281-Y301 AromaticContact CE2-CD2 3.8Å; Y281-Y301 HydrophobicContact CE2-CD2 3.8Å; Y281-S304 VanDerWaalsContact OH-CB 3.28Å; Y281-S304 WeakPolarHBondContact OH-CB 2.98Å; Y281-E306 PolarHBondContact OH-OE1 2.64Å; Y281-E306 PolarHBondContact OH-OE2 2.81Å |
| 282 | E | 95.6 | Very high | 91.6 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | trans | -68.8 | 117.6 | -179.2 | -180 | 51.8 | -138.9 | 0 | 0 | 112 | L278 S284 R288 L292 L293 G294 | L278-E282 WeakPolarHBondContact O-CB 3.37Å; L278-E282 PolarHBondContact O-N 3.32Å; E282-S284 WeakPolarHBondContact OE1-CB 3.33Å; E282-S284 PolarHBondContact OE1-N 3.38Å; E282-R288 HydrophobicContact CB-CG 3.8Å; E282-R288 HydrophobicContact CG-CG 3.99Å; E282-R288 VanDerWaalsContact O-CD 3.23Å; E282-R288 WeakPolarHBondContact O-CD 3.32Å; E282-R288 WeakPolarHBondContact O-CG 3.5Å; E282-R288 PolarHBondContact O-NE 2.7Å; E282-L292 WeakPolarHBondContact CG-O 3.3Å; E282-L293 HydrophobicContact CB-CD1 3.94Å; E282-L293 WeakPolarHBondContact OE2-CA 3.41Å; E282-G294 PolarHBondContact OE2-N 2.95Å | ||
| 283 | P | 94.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | trans | -64.6 | -45.7 | 175.5 | 17.4 | -25.9 | 0 | 0 | 0 | 113 | W164 Y281 A285 R288 D296 | W164-P283 HydrophobicContact CD2-CB 3.85Å; W164-P283 HydrophobicContact CD2-CG 4.04Å; W164-P283 VanDerWaalsContact CE2-CB 3.47Å; W164-P283 HydrophobicContact CE3-CB 4.5Å; W164-P283 HydrophobicContact CE3-CG 4.22Å; W164-P283 HydrophobicContact CG-CB 4.19Å; W164-P283 HydrophobicContact CH2-CB 4.45Å; W164-P283 HydrophobicContact CH2-CG 4.39Å; W164-P283 HydrophobicContact CZ2-CB 3.79Å; W164-P283 HydrophobicContact CZ2-CG 4.22Å; W164-P283 HydrophobicContact CZ3-CG 4.4Å; Y281-P283 VanDerWaalsContact O-CD 3.24Å; Y281-P283 WeakPolarHBondContact O-CD 3.23Å; P283-A285 PolarHBondContact O-N 2.97Å; P283-R288 PolarHBondContact O-NH2 3.11Å; P283-D296 HydrophobicContact CG-CB 4.19Å | ||
| 284 | S | 93.7 | Very high | 92 | Very high | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | trans | -65.6 | 132.6 | -169.6 | -177 | 0 | 0 | 0 | 0 | 111.1 | I160 E282 Q286 G287 R288 | I160-S284 VanDerWaalsContact CG2-CB 3.49Å; E282-S284 WeakPolarHBondContact OE1-CB 3.33Å; E282-S284 PolarHBondContact OE1-N 3.38Å; S284-Q286 VanDerWaalsContact C-N 3.29Å; S284-Q286 PolarHBondContact O-N 3.39Å; S284-Q286 PolarHBondContact OG-N 2.92Å; S284-G287 PolarHBondContact O-N 2.78Å; S284-G287 PolarHBondContact OG-N 2.77Å; S284-R288 WeakPolarHBondContact O-CG 2.95Å; S284-R288 PolarHBondContact O-N 3.27Å; S284-R288 PolarHBondContact O-NE 2.6Å | ||
| 285 | A | 91.2 | Very high | 92.1 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 55% | 0.554 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.7 | -41.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | P283 R288 E289 | P283-A285 PolarHBondContact O-N 2.97Å; A285-R288 PolarHBondContact O-N 2.68Å; A285-E289 WeakPolarHBondContact O-CB 3.3Å; A285-E289 PolarHBondContact O-N 2.65Å |
| 286 | Q | 89.4 | Confident | 92.2 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 17% | 0.173 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 177.1 | -171.8 | -168.8 | 73.6 | 0 | 0 | 111.4 | E163 S284 E289 R290 | E163-Q286 PolarHBondContact OE2-NE2 2.73Å; E163-Q286 PolarHBondContact OE2-OE1 3.24Å; S284-Q286 VanDerWaalsContact C-N 3.29Å; S284-Q286 PolarHBondContact O-N 3.39Å; S284-Q286 PolarHBondContact OG-N 2.92Å; Q286-E289 PolarHBondContact O-N 2.73Å; Q286-R290 WeakPolarHBondContact O-CB 3.18Å; Q286-R290 WeakPolarHBondContact O-CG 2.88Å; Q286-R290 PolarHBondContact O-N 3.34Å |
| 287 | G | 90.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S284 E289 R290 G291 L292 | S284-G287 PolarHBondContact O-N 2.78Å; S284-G287 PolarHBondContact OG-N 2.77Å; G287-E289 PolarHBondContact O-N 2.86Å; G287-R290 PolarHBondContact O-N 3.23Å; G287-G291 PolarHBondContact O-N 3.38Å; G287-L292 CarbonylContact C-O 3.58Å; G287-L292 PolarHBondContact O-N 3.45Å |
| 288 | R | 92.3 | Very high | 92.5 | Very high | 115 Ų | 115 | 43 Ų | 43 | 43% | 0.434 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.8 | -75.2 | -175.6 | -77.6 | 164.7 | -7.6 | 113.6 | K279 E282 P283 S284 A285 | K279-R288 WeakPolarHBondContact O-CD 3.25Å; E282-R288 HydrophobicContact CB-CG 3.8Å; E282-R288 HydrophobicContact CG-CG 3.99Å; E282-R288 VanDerWaalsContact O-CD 3.23Å; E282-R288 WeakPolarHBondContact O-CD 3.32Å; E282-R288 WeakPolarHBondContact O-CG 3.5Å; E282-R288 PolarHBondContact O-NE 2.7Å; P283-R288 PolarHBondContact O-NH2 3.11Å; S284-R288 WeakPolarHBondContact O-CG 2.95Å; S284-R288 PolarHBondContact O-N 3.27Å; S284-R288 PolarHBondContact O-NE 2.6Å; A285-R288 PolarHBondContact O-N 2.68Å |
| 289 | E | 89.8 | Confident | 92.5 | Very high | 167 Ų | 167 | 43.9 Ų | 43.9 | 78% | 0.78 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -66.8 | -42.3 | 178.1 | -174.9 | 178.9 | -165.3 | 0 | 0 | 111.5 | A285 Q286 G287 G291 | A285-E289 WeakPolarHBondContact O-CB 3.3Å; A285-E289 PolarHBondContact O-N 2.65Å; Q286-E289 PolarHBondContact O-N 2.73Å; G287-E289 PolarHBondContact O-N 2.86Å; E289-G291 VanDerWaalsContact C-N 3.32Å |
| 290 | R | 88.1 | Confident | 92.6 | Very high | 134 Ų | 134 | 41.9 Ų | 41.9 | 51% | 0.506 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -80.4 | -10.9 | -179.7 | -65.9 | -178.2 | -179 | -179.9 | 3.8 | 113.8 | Q286 G287 L292 | Q286-R290 WeakPolarHBondContact O-CB 3.18Å; Q286-R290 WeakPolarHBondContact O-CG 2.88Å; Q286-R290 PolarHBondContact O-N 3.34Å; G287-R290 PolarHBondContact O-N 3.23Å; R290-L292 HydrophobicContact CB-CD1 4.02Å; R290-L292 HydrophobicContact CB-CG 4.11Å |
| 291 | G | 89.4 | Confident | 92.7 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 36.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P253 G287 E289 | P253-G291 WeakPolarHBondContact CD-O 3.35Å; G287-G291 PolarHBondContact O-N 3.38Å; E289-G291 VanDerWaalsContact C-N 3.32Å |
| 292 | L | 91.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 34.1 Ų | 34.1 | 11% | 0.105 | 16% | 0.164 | C | C | . | . | trans | -114.4 | 136.8 | -179.7 | -62 | 173.6 | 0 | 0 | 0 | 110.6 | L156 I160 L251 D252 E282 G287 R290 | L156-L292 HydrophobicContact CD2-CD1 3.7Å; L156-L292 HydrophobicContact CG-CD1 4.35Å; I160-L292 HydrophobicContact CD1-CB 4.21Å; I160-L292 HydrophobicContact CD1-CD1 3.83Å; L251-L292 CarbonylContact O-C 3.57Å; L251-L292 WeakPolarHBondContact O-CA 2.99Å; D252-L292 HydrophobicContact CB-CD2 3.96Å; E282-L292 WeakPolarHBondContact CG-O 3.3Å; G287-L292 CarbonylContact C-O 3.58Å; G287-L292 PolarHBondContact O-N 3.45Å; R290-L292 HydrophobicContact CB-CD1 4.02Å; R290-L292 HydrophobicContact CB-CG 4.11Å | ||
| 293 | L | 94 | Very high | 92.4 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 110.6 | 173.4 | -158.9 | 59.7 | 0 | 0 | 0 | 109 | C250 L251 L278 E282 F298 | C250-L293 CarbonylContact C-O 3.5Å; C250-L293 WeakPolarHBondContact CA-O 3.5Å; C250-L293 WeakPolarHBondContact CB-O 3.24Å; L251-L293 HydrophobicContact CB-CB 4.16Å; L251-L293 HydrophobicContact CD1-CD2 4.47Å; L251-L293 PolarHBondContact N-O 3.47Å; L251-L293 PolarHBondContact O-N 3.44Å; L278-L293 HydrophobicContact CD2-CB 3.46Å; L278-L293 VanDerWaalsContact CD2-CB 3.46Å; L278-L293 HydrophobicContact CD2-CD1 4.33Å; L278-L293 HydrophobicContact CD2-CG 4.38Å; E282-L293 HydrophobicContact CB-CD1 3.94Å; E282-L293 WeakPolarHBondContact OE2-CA 3.41Å; L293-F298 HydrophobicContact CD2-CB 4.02Å; L293-F298 HydrophobicContact CD2-CD2 4.03Å; L293-F298 HydrophobicContact CG-CB 4.2Å |
| 294 | G | 93.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 178 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E282 D296 G297 F298 | E282-G294 PolarHBondContact OE2-N 2.95Å; G294-D296 PolarHBondContact O-N 2.81Å; G294-G297 PolarHBondContact O-N 3.32Å; G294-F298 WeakPolarHBondContact O-CB 3.5Å; G294-F298 PolarHBondContact O-N 3.16Å |
| 295 | L | 92.6 | Very high | 92.1 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.5 | -49.4 | 179.6 | 175.1 | 63 | 0 | 0 | 0 | 113.3 | T233 V237 Y238 L241 G297 F298 A299 | T233-L295 HydrophobicContact CG2-CD2 3.7Å; V237-L295 HydrophobicContact CG1-CD1 4.02Å; Y238-L295 HydrophobicContact CD2-CD2 4.22Å; L241-L295 HydrophobicContact CD2-CB 3.85Å; L241-L295 HydrophobicContact CD2-CD1 4.07Å; L295-G297 VanDerWaalsContact C-N 3.33Å; L295-G297 PolarHBondContact O-N 3.42Å; L295-F298 PolarHBondContact O-N 3.36Å; L295-A299 WeakPolarHBondContact O-CB 3.17Å; L295-A299 PolarHBondContact O-N 2.81Å |
| 296 | D | 93.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69 | -34.2 | -177.1 | -53 | -77.5 | 0 | 0 | 0 | 111.6 | R161 W164 P283 G294 R300 | R161-D296 WeakPolarHBondContact CD-OD2 3.49Å; R161-D296 WeakPolarHBondContact CG-OD2 3.37Å; R161-D296 IonicContact CZ-OD1 3.12Å; R161-D296 IonicContact CZ-OD2 2.82Å; R161-D296 IonicContact NE-OD1 2.72Å; R161-D296 PolarHBondContact NE-OD1 3.08Å; R161-D296 IonicContact NE-OD2 3.64Å; R161-D296 PolarHBondContact NE-OD2 3.16Å; R161-D296 IonicContact NH2-OD1 2.8Å; R161-D296 PolarHBondContact NH2-OD1 2.84Å; R161-D296 IonicContact NH2-OD2 3.91Å; W164-D296 HydrophobicContact CH2-CB 4.36Å; W164-D296 HydrophobicContact CZ3-CB 3.96Å; W164-D296 WeakPolarHBondContact CZ3-OD2 3.26Å; P283-D296 HydrophobicContact CG-CB 4.19Å; G294-D296 PolarHBondContact O-N 2.81Å; D296-R300 WeakPolarHBondContact O-CB 3.2Å; D296-R300 VanDerWaalsContact O-CG 3.22Å; D296-R300 WeakPolarHBondContact O-CG 3.44Å; D296-R300 PolarHBondContact O-N 2.85Å |
| 297 | G | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y281 G294 L295 R300 Y301 | Y281-G297 WeakPolarHBondContact O-CA 3.05Å; G294-G297 PolarHBondContact O-N 3.32Å; L295-G297 VanDerWaalsContact C-N 3.33Å; L295-G297 PolarHBondContact O-N 3.42Å; G297-R300 PolarHBondContact O-N 3.17Å; G297-Y301 PolarHBondContact O-N 2.73Å |
| 298 | F | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.3 | -40.8 | 176.5 | -174.5 | -122.3 | 0 | 0 | 0 | 112.3 | V237 L240 L241 L244 L251 F259 L293 G294 L295 R300 Y301 L302 | V237-F298 HydrophobicContact CG1-CD1 3.75Å; V237-F298 HydrophobicContact CG1-CE1 4.19Å; L240-F298 HydrophobicContact CB-CE1 4.42Å; L240-F298 HydrophobicContact CD2-CE1 3.93Å; L240-F298 HydrophobicContact CD2-CZ 3.96Å; L240-F298 HydrophobicContact CG-CE1 3.94Å; L240-F298 HydrophobicContact CG-CZ 4.11Å; L241-F298 HydrophobicContact CB-CD1 3.99Å; L241-F298 HydrophobicContact CB-CE1 4.29Å; L241-F298 HydrophobicContact CD1-CB 3.72Å; L241-F298 HydrophobicContact CD1-CD1 3.67Å; L241-F298 HydrophobicContact CD1-CE1 4.39Å; L241-F298 HydrophobicContact CD1-CG 3.73Å; L241-F298 HydrophobicContact CG-CD1 4.46Å; L244-F298 HydrophobicContact CD1-CZ 3.91Å; L251-F298 HydrophobicContact CD1-CD2 3.75Å; L251-F298 HydrophobicContact CD1-CE2 3.89Å; L251-F298 HydrophobicContact CD1-CG 4.3Å; F259-F298 HydrophobicContact CD1-CE2 4.17Å; F259-F298 AromaticContact CE1-CE2 3.7Å; F259-F298 HydrophobicContact CE1-CE2 3.7Å; F259-F298 HydrophobicContact CE1-CZ 4.11Å; F259-F298 HydrophobicContact CE2-CE2 4.48Å; F259-F298 HydrophobicContact CE2-CZ 4.1Å; F259-F298 AromaticContact CZ-CE2 3.85Å; F259-F298 HydrophobicContact CZ-CE2 3.85Å; F259-F298 AromaticContact CZ-CZ 3.77Å; F259-F298 HydrophobicContact CZ-CZ 3.77Å; L293-F298 HydrophobicContact CD2-CB 4.02Å; L293-F298 HydrophobicContact CD2-CD2 4.03Å; L293-F298 HydrophobicContact CG-CB 4.2Å; G294-F298 WeakPolarHBondContact O-CB 3.5Å; G294-F298 PolarHBondContact O-N 3.16Å; L295-F298 PolarHBondContact O-N 3.36Å; F298-R300 VanDerWaalsContact C-N 3.34Å; F298-R300 PolarHBondContact O-N 2.76Å; F298-Y301 HydrophobicContact CD2-CD1 4.4Å; F298-Y301 HydrophobicContact CE2-CD1 4.39Å; F298-Y301 WeakPolarHBondContact O-CB 3.42Å; F298-Y301 PolarHBondContact O-N 3.02Å; F298-L302 HydrophobicContact CD1-CD1 4.03Å; F298-L302 HydrophobicContact CE1-CD1 3.67Å; F298-L302 HydrophobicContact CE1-CG 4.36Å; F298-L302 HydrophobicContact CE2-CD1 4.5Å; F298-L302 HydrophobicContact CE2-CD2 4.45Å; F298-L302 HydrophobicContact CE2-CG 4.34Å; F298-L302 HydrophobicContact CZ-CD1 3.93Å; F298-L302 HydrophobicContact CZ-CD2 4.29Å; F298-L302 HydrophobicContact CZ-CG 4.21Å; F298-L302 WeakPolarHBondContact O-CG 3.25Å; F298-L302 PolarHBondContact O-N 3.35Å |
| 299 | A | 93.1 | Very high | 92.7 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 16% | 0.157 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V237 L295 L302 Q303 | V237-A299 HydrophobicContact CG1-CB 4.18Å; L295-A299 WeakPolarHBondContact O-CB 3.17Å; L295-A299 PolarHBondContact O-N 2.81Å; A299-L302 PolarHBondContact O-N 3.45Å; A299-Q303 WeakPolarHBondContact O-CB 3.42Å; A299-Q303 WeakPolarHBondContact O-CG 3.12Å; A299-Q303 PolarHBondContact O-N 3.06Å |
| 300 | R | 93.7 | Very high | 92.9 | Very high | 87 Ų | 87 | 31 Ų | 31 | 33% | 0.328 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 174.3 | -73.5 | 170.5 | -177.2 | -169.9 | 2.9 | 112.4 | Y281 D296 G297 F298 Q303 S304 | Y281-R300 HydrophobicContact CD1-CB 4.15Å; D296-R300 WeakPolarHBondContact O-CB 3.2Å; D296-R300 VanDerWaalsContact O-CG 3.22Å; D296-R300 WeakPolarHBondContact O-CG 3.44Å; D296-R300 PolarHBondContact O-N 2.85Å; G297-R300 PolarHBondContact O-N 3.17Å; F298-R300 VanDerWaalsContact C-N 3.34Å; F298-R300 PolarHBondContact O-N 2.76Å; R300-Q303 PolarHBondContact O-N 2.96Å; R300-S304 PolarHBondContact O-N 3.4Å |
| 301 | Y | 95.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 2% | 0.024 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 173.7 | 169.4 | -94.9 | 0 | 0 | 0 | 111.3 | F259 L260 L277 Y281 G297 F298 Q303 S304 E306 C307 | F259-Y301 HydrophobicContact CE1-CD1 4.47Å; F259-Y301 AromaticContact CE1-CE1 3.82Å; F259-Y301 HydrophobicContact CE1-CE1 3.82Å; L260-Y301 WeakPolarHBondContact CD2-OH 3.43Å; L277-Y301 HydrophobicContact CD1-CE2 4.04Å; L277-Y301 HydrophobicContact CD2-CD2 4.19Å; L277-Y301 HydrophobicContact CD2-CE2 3.97Å; Y281-Y301 AromaticContact CD2-CD2 3.78Å; Y281-Y301 HydrophobicContact CD2-CD2 3.78Å; Y281-Y301 HydrophobicContact CD2-CG 4.41Å; Y281-Y301 AromaticContact CE2-CD2 3.8Å; Y281-Y301 HydrophobicContact CE2-CD2 3.8Å; G297-Y301 PolarHBondContact O-N 2.73Å; F298-Y301 HydrophobicContact CD2-CD1 4.4Å; F298-Y301 HydrophobicContact CE2-CD1 4.39Å; F298-Y301 WeakPolarHBondContact O-CB 3.42Å; F298-Y301 PolarHBondContact O-N 3.02Å; Y301-Q303 VanDerWaalsContact C-N 3.29Å; Y301-Q303 PolarHBondContact O-N 3.49Å; Y301-S304 VanDerWaalsContact O-CB 3.25Å; Y301-S304 WeakPolarHBondContact O-CB 3.4Å; Y301-S304 PolarHBondContact O-N 3.35Å; Y301-S304 VanDerWaalsContact O-N 3.13Å; Y301-S304 PolarHBondContact O-OG 2.82Å; Y301-E306 HydrophobicContact CE2-CB 4.41Å; Y301-C307 WeakPolarHBondContact CE1-SG 3.45Å; Y301-C307 VanDerWaalsContact CZ-SG 3.55Å; Y301-C307 PolarHBondContact O-SG 2.81Å; Y301-C307 VanDerWaalsContact O-SG 3.32Å |
| 302 | L | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.1 | -34.8 | 177.9 | -69.7 | 174.4 | 0 | 0 | 0 | 111.9 | V237 L240 F259 F298 A299 S304 C307 N801 F818 | V237-L302 HydrophobicContact CG1-CD1 3.86Å; V237-L302 HydrophobicContact CG2-CD1 4Å; L240-L302 HydrophobicContact CD2-CD1 4.31Å; F259-L302 HydrophobicContact CZ-CD2 4.12Å; F298-L302 HydrophobicContact CD1-CD1 4.03Å; F298-L302 HydrophobicContact CE1-CD1 3.67Å; F298-L302 HydrophobicContact CE1-CG 4.36Å; F298-L302 HydrophobicContact CE2-CD1 4.5Å; F298-L302 HydrophobicContact CE2-CD2 4.45Å; F298-L302 HydrophobicContact CE2-CG 4.34Å; F298-L302 HydrophobicContact CZ-CD1 3.93Å; F298-L302 HydrophobicContact CZ-CD2 4.29Å; F298-L302 HydrophobicContact CZ-CG 4.21Å; F298-L302 WeakPolarHBondContact O-CG 3.25Å; F298-L302 PolarHBondContact O-N 3.35Å; A299-L302 PolarHBondContact O-N 3.45Å; L302-S304 VanDerWaalsContact C-N 3.28Å; L302-S304 PolarHBondContact O-N 2.84Å; L302-C307 WeakPolarHBondContact O-CB 3.42Å; L302-N801 PolarHBondContact O-ND2 3.27Å; L302-F818 HydrophobicContact CD1-CE2 4.26Å; L302-F818 HydrophobicContact CD1-CZ 3.95Å; L302-F818 HydrophobicContact CD2-CE2 4.34Å; L302-F818 HydrophobicContact CD2-CZ 4.47Å |
| 303 | Q | 91.2 | Very high | 93.2 | Very high | 110 Ų | 110 | 30.2 Ų | 30.2 | 51% | 0.514 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -5.1 | 176.3 | -70.1 | 174.8 | -19.2 | 0 | 0 | 114.2 | A299 R300 Y301 | A299-Q303 WeakPolarHBondContact O-CB 3.42Å; A299-Q303 WeakPolarHBondContact O-CG 3.12Å; A299-Q303 PolarHBondContact O-N 3.06Å; R300-Q303 PolarHBondContact O-N 2.96Å; Y301-Q303 VanDerWaalsContact C-N 3.29Å; Y301-Q303 PolarHBondContact O-N 3.49Å |
| 304 | S | 92.3 | Very high | 93.2 | Very high | 6 Ų | 6 | 30.4 Ų | 30.4 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -73.5 | 162.8 | -177 | 74.5 | 0 | 0 | 0 | 0 | 113.1 | Y281 R300 Y301 L302 E306 C307 | Y281-S304 VanDerWaalsContact OH-CB 3.28Å; Y281-S304 WeakPolarHBondContact OH-CB 2.98Å; R300-S304 PolarHBondContact O-N 3.4Å; Y301-S304 VanDerWaalsContact O-CB 3.25Å; Y301-S304 WeakPolarHBondContact O-CB 3.4Å; Y301-S304 PolarHBondContact O-N 3.35Å; Y301-S304 VanDerWaalsContact O-N 3.13Å; Y301-S304 PolarHBondContact O-OG 2.82Å; L302-S304 VanDerWaalsContact C-N 3.28Å; L302-S304 PolarHBondContact O-N 2.84Å; S304-E306 WeakPolarHBondContact CB-OE2 3.43Å; S304-E306 PolarHBondContact O-N 2.8Å; S304-E306 VanDerWaalsContact O-N 3.16Å; S304-E306 PolarHBondContact OG-N 2.83Å; S304-E306 PolarHBondContact OG-OE2 2.72Å; S304-E306 VanDerWaalsContact OG-OE2 3.13Å; S304-C307 PolarHBondContact O-N 2.84Å |
| 305 | P | 90.1 | Very high | 93.2 | Very high | 83 Ų | 83 | 35.6 Ų | 35.6 | 54% | 0.539 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -52.3 | -30.8 | 171.1 | -27.7 | 37 | 0 | 0 | 0 | 114.2 | C307 Q308 | P305-C307 PolarHBondContact O-N 2.81Å; P305-Q308 WeakPolarHBondContact O-CB 3.46Å; P305-Q308 PolarHBondContact O-N 2.74Å |
| 306 | E | 89.9 | Confident | 93.2 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 29% | 0.285 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -64.2 | -22.4 | 179 | -67.1 | 89.1 | 140.1 | 0 | 0 | 113 | R280 Y281 Y301 S304 R800 | R280-E306 IonicContact NH1-OE1 2.85Å; R280-E306 PolarHBondContact NH1-OE1 2.76Å; Y281-E306 PolarHBondContact OH-OE1 2.64Å; Y281-E306 PolarHBondContact OH-OE2 2.81Å; Y301-E306 HydrophobicContact CE2-CB 4.41Å; S304-E306 WeakPolarHBondContact CB-OE2 3.43Å; S304-E306 PolarHBondContact O-N 2.8Å; S304-E306 VanDerWaalsContact O-N 3.16Å; S304-E306 PolarHBondContact OG-N 2.83Å; S304-E306 PolarHBondContact OG-OE2 2.72Å; S304-E306 VanDerWaalsContact OG-OE2 3.13Å; E306-R800 PolarHBondContact O-NH1 2.78Å |
| 307 | C | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -107.5 | 13.1 | 179.5 | -71.3 | 0 | 0 | 0 | 0 | 112.9 | Y301 L302 S304 P305 R800 N801 | Y301-C307 WeakPolarHBondContact CE1-SG 3.45Å; Y301-C307 VanDerWaalsContact CZ-SG 3.55Å; Y301-C307 PolarHBondContact O-SG 2.81Å; Y301-C307 VanDerWaalsContact O-SG 3.32Å; L302-C307 WeakPolarHBondContact O-CB 3.42Å; S304-C307 PolarHBondContact O-N 2.84Å; P305-C307 PolarHBondContact O-N 2.81Å; C307-R800 CarbonylContact O-C 3.58Å; C307-R800 WeakPolarHBondContact O-CA 3.49Å; C307-N801 PolarHBondContact O-N 2.93Å |
| 308 | Q | 94.6 | Very high | 93.4 | Very high | 73 Ų | 73 | 40.2 Ų | 40.2 | 34% | 0.341 | 22% | 0.221 | S | C | . | . | B | Isolated β-bridge | trans | -69.6 | 149 | 171.5 | -72 | -176 | -3.3 | 0 | 0 | 111.8 | P305 L310 | P305-Q308 WeakPolarHBondContact O-CB 3.46Å; P305-Q308 PolarHBondContact O-N 2.74Å; Q308-L310 VanDerWaalsContact C-N 3.28Å; Q308-L310 PolarHBondContact O-N 3.08Å |
| 309 | L | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -62.2 | -35.8 | 179.3 | -175.1 | 65.2 | 0 | 0 | 0 | 113 | F772 Y788 V790 L795 Q796 R800 N801 V802 V821 | L309-F772 HydrophobicContact CD2-CD2 4.49Å; L309-F772 HydrophobicContact CD2-CE2 3.52Å; L309-F772 HydrophobicContact CD2-CZ 3.89Å; L309-Y788 HydrophobicContact CD2-CD1 4.38Å; L309-Y788 HydrophobicContact CD2-CE1 4.16Å; L309-V790 HydrophobicContact CD2-CG1 3.81Å; L309-L795 HydrophobicContact CD1-CD2 3.7Å; L309-L795 HydrophobicContact CD2-CD2 3.85Å; L309-L795 HydrophobicContact CG-CD2 3.79Å; L309-Q796 PolarHBondContact O-N 3.33Å; L309-R800 HydrophobicContact CB-CB 4.28Å; L309-R800 HydrophobicContact CD1-CB 3.98Å; L309-R800 HydrophobicContact CD1-CG 4.17Å; L309-N801 PolarHBondContact N-O 3.46Å; L309-V802 HydrophobicContact CB-CG2 4.31Å; L309-V802 HydrophobicContact CD2-CB 4.47Å; L309-V802 HydrophobicContact CD2-CG1 4.05Å; L309-V802 HydrophobicContact CD2-CG2 3.8Å; L309-V821 HydrophobicContact CD1-CG2 3.67Å |
| 310 | L | 94.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -75.2 | 123.8 | 179.3 | -177.3 | 72.2 | 0 | 0 | 0 | 110.2 | Q308 P312 L315 T662 V790 C794 | Q308-L310 VanDerWaalsContact C-N 3.28Å; Q308-L310 PolarHBondContact O-N 3.08Å; L310-P312 WeakPolarHBondContact O-CD 3.14Å; L310-L315 HydrophobicContact CD2-CD2 3.86Å; L310-T662 HydrophobicContact CD2-CG2 3.89Å; L310-V790 HydrophobicContact CD1-CG2 4.17Å; L310-C794 HydrophobicContact CD1-CB 3.76Å |
| 311 | D | 93.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 38 Ų | 38 | 8% | 0.075 | 21% | 0.212 | C | C | . | . | trans | -55.6 | 119 | 173 | -175 | -21.8 | 0 | 0 | 0 | 110.9 | E313 H314 C794 Q796 R834 | D311-E313 PolarHBondContact O-N 2.94Å; D311-E313 VanDerWaalsContact OD1-CB 3.3Å; D311-E313 WeakPolarHBondContact OD1-CB 3.26Å; D311-E313 PolarHBondContact OD1-N 3.23Å; D311-H314 WeakPolarHBondContact O-CB 3.43Å; D311-H314 PolarHBondContact O-N 2.89Å; D311-C794 WeakPolarHBondContact CB-O 3.18Å; D311-C794 PolarHBondContact N-O 3.07Å; D311-Q796 HydrophobicContact CB-CG 3.95Å; D311-Q796 PolarHBondContact OD2-NE2 3.07Å; D311-R834 IonicContact OD2-NH2 2.7Å; D311-R834 PolarHBondContact OD2-NH2 3.46Å | ||
| 312 | P | 91.1 | Very high | 93.4 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 42% | 0.422 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -56 | -24 | -179 | -27.8 | 35.6 | 0 | 0 | 0 | 114.4 | L310 H314 L315 | L310-P312 WeakPolarHBondContact O-CD 3.14Å; P312-H314 PolarHBondContact O-N 3.02Å; P312-L315 HydrophobicContact CB-CD1 4.24Å; P312-L315 VanDerWaalsContact O-CB 3.27Å; P312-L315 WeakPolarHBondContact O-CB 3.3Å; P312-L315 WeakPolarHBondContact O-CG 3.37Å; P312-L315 PolarHBondContact O-N 2.95Å |
| 313 | E | 90.3 | Very high | 93.3 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 28% | 0.28 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -62.7 | -26.2 | 175.8 | -171.3 | 167.2 | -178 | 0 | 0 | 112.7 | D311 L315 C318 R834 V839 | D311-E313 PolarHBondContact O-N 2.94Å; D311-E313 VanDerWaalsContact OD1-CB 3.3Å; D311-E313 WeakPolarHBondContact OD1-CB 3.26Å; D311-E313 PolarHBondContact OD1-N 3.23Å; E313-L315 VanDerWaalsContact C-N 3.31Å; E313-C318 HydrophobicContact CG-CB 3.94Å; E313-R834 IonicContact OE1-CZ 3.33Å; E313-R834 IonicContact OE1-NH1 3.2Å; E313-R834 PolarHBondContact OE1-NH1 3.01Å; E313-R834 IonicContact OE2-CZ 3.06Å; E313-R834 IonicContact OE2-NH1 2.65Å; E313-R834 PolarHBondContact OE2-NH1 2.73Å; E313-R834 IonicContact OE2-NH2 3.28Å; E313-R834 PolarHBondContact OE2-NH2 2.85Å; E313-V839 WeakPolarHBondContact OE1-CG1 3.24Å |
| 314 | H | 94.4 | Very high | 93.4 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -84.1 | -3 | 176.6 | -70.6 | -100.6 | 0 | 0 | 0 | 113.5 | D311 P312 G316 N664 G665 C794 | D311-H314 WeakPolarHBondContact O-CB 3.43Å; D311-H314 PolarHBondContact O-N 2.89Å; P312-H314 PolarHBondContact O-N 3.02Å; H314-G316 PolarHBondContact O-N 3Å; H314-N664 PolarHBondContact O-N 3.46Å; H314-G665 WeakPolarHBondContact O-CA 3.03Å; H314-G665 PolarHBondContact O-N 3.32Å; H314-C794 PolarHBondContact ND1-SG 3.2Å |
| 315 | L | 92.4 | Very high | 93.5 | Very high | 115 Ų | 115 | 40.2 Ų | 40.2 | 60% | 0.602 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -71.7 | -19.9 | 168.8 | -61 | 174.8 | 0 | 0 | 0 | 112 | L310 P312 E313 G665 | L310-L315 HydrophobicContact CD2-CD2 3.86Å; P312-L315 HydrophobicContact CB-CD1 4.24Å; P312-L315 VanDerWaalsContact O-CB 3.27Å; P312-L315 WeakPolarHBondContact O-CB 3.3Å; P312-L315 WeakPolarHBondContact O-CG 3.37Å; P312-L315 PolarHBondContact O-N 2.95Å; E313-L315 VanDerWaalsContact C-N 3.31Å; L315-G665 WeakPolarHBondContact O-CA 3.4Å |
| 316 | G | 93.9 | Very high | 93.6 | Very high | 36 Ų | 36 | 36.3 Ų | 36.3 | 37% | 0.371 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -112.5 | 170.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | H314 C318 N664 G665 | H314-G316 PolarHBondContact O-N 3Å; G316-C318 PolarHBondContact O-N 3.41Å; G316-N664 CarbonylContact O-C 3.5Å; G316-G665 VanDerWaalsContact C-CA 3.48Å; G316-G665 WeakPolarHBondContact O-CA 3.45Å; G316-G665 PolarHBondContact O-N 3.01Å |
| 317 | V | 96.2 | Very high | 93.9 | Very high | 72 Ų | 72 | 34.8 Ų | 34.8 | 44% | 0.436 | 20% | 0.197 | S | C | . | . | trans | -69.3 | 114.5 | 170.8 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | M321 Y417 N664 | V317-M321 HydrophobicContact CG1-CG 3.69Å; V317-M321 HydrophobicContact CG1-SD 4.27Å; V317-Y417 HydrophobicContact CG1-CE2 4.37Å; V317-Y417 WeakPolarHBondContact CG1-OH 3.44Å; V317-Y417 HydrophobicContact CG2-CE2 3.81Å; V317-N664 WeakPolarHBondContact CA-OD1 3.36Å; V317-N664 WeakPolarHBondContact CG1-OD1 3.39Å | ||
| 318 | C | 94.4 | Very high | 94 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 13% | 0.128 | 20% | 0.197 | C | C | . | . | trans | -121.4 | -13.2 | -175.3 | 64.5 | 0 | 0 | 0 | 0 | 113.7 | E313 G316 N664 | E313-C318 HydrophobicContact CG-CB 3.94Å; G316-C318 PolarHBondContact O-N 3.41Å; C318-N664 PolarHBondContact N-OD1 2.52Å | ||
| 319 | Q | 94.6 | Very high | 94.2 | Very high | 12 Ų | 12 | 31.4 Ų | 31.4 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -91.2 | 158.3 | 179.8 | -60.2 | 178.2 | -7.4 | 0 | 0 | 111.3 | M321 N664 L671 | Q319-M321 WeakPolarHBondContact O-CG 3.1Å; Q319-M321 PolarHBondContact O-N 3.47Å; Q319-N664 WeakPolarHBondContact CB-OD1 3.32Å; Q319-N664 HydrophobicContact CG-CB 4.12Å; Q319-N664 PolarHBondContact N-OD1 3.05Å; Q319-L671 HydrophobicContact CB-CB 4.37Å |
| 320 | D | 94.3 | Very high | 94.4 | Very high | 42 Ų | 42 | 31.5 Ų | 31.5 | 23% | 0.225 | 18% | 0.181 | C | C | . | . | trans | -69 | 122 | 174.5 | -177.4 | 10.6 | 0 | 0 | 0 | 109.9 | N322 Y328 S838 | D320-N322 WeakPolarHBondContact OD1-CB 3.3Å; D320-N322 PolarHBondContact OD1-N 3.3Å; D320-N322 PolarHBondContact OD1-ND2 3.04Å; D320-Y328 VanDerWaalsContact O-CE1 3.3Å; D320-Y328 WeakPolarHBondContact O-CE1 3.49Å; D320-Y328 VanDerWaalsContact O-CZ 3.31Å; D320-Y328 PolarHBondContact O-OH 3.39Å; D320-S838 WeakPolarHBondContact CB-OG 3.26Å | ||
| 321 | M | 96 | Very high | 94.5 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.02 | 18% | 0.178 | C | C | . | . | trans | -102 | 5.7 | -178.1 | -59.3 | -56 | -70.4 | 0 | 0 | 113.1 | V317 Q319 Y328 Y417 S466 P467 E468 N664 Y669 | V317-M321 HydrophobicContact CG1-CG 3.69Å; V317-M321 HydrophobicContact CG1-SD 4.27Å; Q319-M321 WeakPolarHBondContact O-CG 3.1Å; Q319-M321 PolarHBondContact O-N 3.47Å; M321-Y328 VanDerWaalsContact C-OH 3.24Å; M321-Y328 WeakPolarHBondContact CA-OH 3.49Å; M321-Y328 HydrophobicContact CE-CE1 4.35Å; M321-Y328 HydrophobicContact SD-CE1 3.84Å; M321-Y417 HydrophobicContact CB-CE1 3.79Å; M321-Y417 HydrophobicContact CE-CD1 3.68Å; M321-Y417 HydrophobicContact CE-CD2 3.99Å; M321-Y417 HydrophobicContact CE-CE1 3.51Å; M321-Y417 HydrophobicContact CE-CE2 3.82Å; M321-Y417 HydrophobicContact CE-CG 3.92Å; M321-Y417 HydrophobicContact CG-CE1 3.85Å; M321-Y417 WeakPolarHBondContact CG-OH 3.38Å; M321-S466 WeakPolarHBondContact O-CB 3.37Å; M321-P467 HydrophobicContact CE-CB 3.79Å; M321-P467 HydrophobicContact CE-CG 4.16Å; M321-P467 WeakPolarHBondContact O-CD 3.35Å; M321-E468 HydrophobicContact CB-CB 4.4Å; M321-E468 VanDerWaalsContact O-CB 3.29Å; M321-E468 WeakPolarHBondContact O-CB 3.13Å; M321-E468 PolarHBondContact O-N 2.84Å; M321-N664 PolarHBondContact SD-ND2 2.86Å; M321-N664 VanDerWaalsContact SD-ND2 3.44Å; M321-Y669 HydrophobicContact CE-CG 4.17Å | ||
| 322 | N | 93.6 | Very high | 94.8 | Very high | 100 Ų | 100 | 30.2 Ų | 30.2 | 54% | 0.535 | 17% | 0.174 | S | C | . | . | trans | -96.7 | 2.8 | -178.2 | -60.4 | -83.5 | 0 | 0 | 0 | 113.9 | D320 S466 E468 | D320-N322 WeakPolarHBondContact OD1-CB 3.3Å; D320-N322 PolarHBondContact OD1-N 3.3Å; D320-N322 PolarHBondContact OD1-ND2 3.04Å; N322-S466 WeakPolarHBondContact O-CB 3.48Å; N322-E468 WeakPolarHBondContact OD1-CG 3.28Å | ||
| 323 | L | 92.5 | Very high | 95 | Very high | 43 Ų | 43 | 27.1 Ų | 27.1 | 23% | 0.225 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -83.1 | 161.7 | 176.7 | -59.4 | 175.2 | 0 | 0 | 0 | 110.5 | H327 Y328 S466 P467 L671 | L323-H327 HydrophobicContact CB-CB 4.19Å; L323-Y328 HydrophobicContact CB-CE2 4.03Å; L323-Y328 WeakPolarHBondContact CB-OH 3.46Å; L323-Y328 PolarHBondContact N-OH 3.09Å; L323-Y328 VanDerWaalsContact N-OH 3.11Å; L323-Y328 VanDerWaalsContact O-CE2 3.31Å; L323-Y328 WeakPolarHBondContact O-CE2 3.22Å; L323-S466 WeakPolarHBondContact O-CA 3.3Å; L323-S466 WeakPolarHBondContact O-CB 3.41Å; L323-P467 VanDerWaalsContact O-CD 3.29Å; L323-P467 WeakPolarHBondContact O-CD 3.44Å; L323-L671 HydrophobicContact CD1-CD1 3.6Å; L323-L671 HydrophobicContact CD1-CD2 4.03Å; L323-L671 HydrophobicContact CD1-CG 4.47Å |
| 324 | P | 92.1 | Very high | 95.2 | Very high | 25 Ų | 25 | 24.9 Ų | 24.9 | 16% | 0.162 | 14% | 0.143 | C | C | . | . | trans | -56.8 | 147.2 | 178.8 | -28.4 | 36.9 | 0 | 0 | 0 | 113.3 | A326 H327 Y328 T463 L464 | P324-A326 PolarHBondContact O-N 3.27Å; P324-H327 VanDerWaalsContact O-CB 3.24Å; P324-H327 WeakPolarHBondContact O-CB 3.39Å; P324-H327 PolarHBondContact O-N 3.24Å; P324-Y328 WeakPolarHBondContact O-CD2 3.29Å; P324-Y328 WeakPolarHBondContact O-CE2 3.24Å; P324-T463 HydrophobicContact CG-CG2 4.47Å; P324-L464 WeakPolarHBondContact CA-O 3.49Å; P324-L464 HydrophobicContact CB-CB 4.31Å; P324-L464 WeakPolarHBondContact CB-O 3.42Å | ||
| 325 | L | 93.7 | Very high | 95 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -50.1 | -36.9 | 178.2 | -85.7 | 170.2 | 0 | 0 | 0 | 113.7 | H327 Y328 I330 L464 P465 P467 L470 L615 Y669 | L325-H327 PolarHBondContact O-N 3.39Å; L325-Y328 PolarHBondContact O-N 3.17Å; L325-I330 HydrophobicContact CD2-CD1 4.32Å; L325-L464 HydrophobicContact CB-CB 4.2Å; L325-P465 HydrophobicContact CD1-CG 4.09Å; L325-P465 VanDerWaalsContact CG-O 3.27Å; L325-P465 WeakPolarHBondContact CG-O 3.21Å; L325-P465 PolarHBondContact N-O 2.91Å; L325-P467 HydrophobicContact CD2-CG 4.09Å; L325-L470 HydrophobicContact CD1-CD1 3.86Å; L325-L615 HydrophobicContact CB-CD1 4.44Å; L325-L615 HydrophobicContact CB-CD2 4.24Å; L325-Y669 HydrophobicContact CD2-CE1 3.62Å |
| 326 | A | 93.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -59.8 | -19.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P324 Y328 L464 Q641 R672 | P324-A326 PolarHBondContact O-N 3.27Å; A326-Y328 VanDerWaalsContact C-N 3.3Å; A326-Y328 PolarHBondContact O-N 2.81Å; A326-L464 HydrophobicContact CB-CD1 3.66Å; A326-Q641 WeakPolarHBondContact O-CG 3.45Å; A326-Q641 PolarHBondContact O-NE2 3.1Å; A326-R672 PolarHBondContact O-NE 2.98Å; A326-R672 PolarHBondContact O-NH2 2.95Å |
| 327 | H | 95.5 | Very high | 94.6 | Very high | 30 Ų | 30 | 17.9 Ų | 17.9 | 14% | 0.139 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -82.5 | -1.9 | -178.2 | -71.6 | -162.1 | 0 | 0 | 0 | 114.1 | L323 P324 L325 L671 R672 R677 | L323-H327 HydrophobicContact CB-CB 4.19Å; P324-H327 VanDerWaalsContact O-CB 3.24Å; P324-H327 WeakPolarHBondContact O-CB 3.39Å; P324-H327 PolarHBondContact O-N 3.24Å; L325-H327 PolarHBondContact O-N 3.39Å; H327-L671 HydrophobicContact CB-CD1 4.15Å; H327-R672 VanDerWaalsContact O-CB 3.29Å; H327-R672 WeakPolarHBondContact O-CB 3.27Å; H327-R672 VanDerWaalsContact O-CG 3.32Å; H327-R672 WeakPolarHBondContact O-CG 3.33Å; H327-R672 PolarHBondContact O-N 3.39Å; H327-R677 HydrophobicContact CB-CG 4.03Å |
| 328 | Y | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 143.4 | -178.3 | -56.6 | -97.3 | 0 | 0 | 0 | 111.2 | D320 M321 L323 P324 L325 A326 P467 Q641 Y669 V670 L671 | D320-Y328 VanDerWaalsContact O-CE1 3.3Å; D320-Y328 WeakPolarHBondContact O-CE1 3.49Å; D320-Y328 VanDerWaalsContact O-CZ 3.31Å; D320-Y328 PolarHBondContact O-OH 3.39Å; M321-Y328 VanDerWaalsContact C-OH 3.24Å; M321-Y328 WeakPolarHBondContact CA-OH 3.49Å; M321-Y328 HydrophobicContact CE-CE1 4.35Å; M321-Y328 HydrophobicContact SD-CE1 3.84Å; L323-Y328 HydrophobicContact CB-CE2 4.03Å; L323-Y328 WeakPolarHBondContact CB-OH 3.46Å; L323-Y328 PolarHBondContact N-OH 3.09Å; L323-Y328 VanDerWaalsContact N-OH 3.11Å; L323-Y328 VanDerWaalsContact O-CE2 3.31Å; L323-Y328 WeakPolarHBondContact O-CE2 3.22Å; P324-Y328 WeakPolarHBondContact O-CD2 3.29Å; P324-Y328 WeakPolarHBondContact O-CE2 3.24Å; L325-Y328 PolarHBondContact O-N 3.17Å; A326-Y328 VanDerWaalsContact C-N 3.3Å; A326-Y328 PolarHBondContact O-N 2.81Å; Y328-P467 HydrophobicContact CD2-CG 3.81Å; Y328-P467 HydrophobicContact CE1-CG 4.38Å; Y328-P467 HydrophobicContact CE2-CG 3.63Å; Y328-P467 HydrophobicContact CG-CG 4.28Å; Y328-Q641 WeakPolarHBondContact O-CB 3.32Å; Y328-Q641 WeakPolarHBondContact O-CG 3.36Å; Y328-Y669 HydrophobicContact CG-CD1 4.19Å; Y328-V670 CarbonylContact C-O 3.56Å; Y328-V670 WeakPolarHBondContact CA-O 3.27Å; Y328-L671 HydrophobicContact CD1-CB 4.18Å; Y328-L671 HydrophobicContact CD1-CD1 4.05Å; Y328-L671 HydrophobicContact CE1-CB 4.12Å; Y328-L671 HydrophobicContact CE1-CD1 3.67Å; Y328-L671 HydrophobicContact CE1-CG 4.49Å; Y328-L671 HydrophobicContact CE2-CD1 4.35Å |
| 329 | Y | 98.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 137.8 | 152 | -59.2 | -56.8 | 0 | 0 | 0 | 108.6 | W636 V640 Y669 V670 R672 M676 L767 | Y329-W636 HydrophobicContact CD1-CB 4.43Å; Y329-W636 AromaticContact CD1-CD1 3.41Å; Y329-W636 VanDerWaalsContact CD1-CD1 3.41Å; Y329-W636 HydrophobicContact CD1-CG 4.06Å; Y329-W636 HydrophobicContact CE1-CB 3.78Å; Y329-W636 AromaticContact CE1-CD1 3.59Å; Y329-W636 AromaticContact CE1-CG 3.9Å; Y329-W636 HydrophobicContact CE1-CG 3.9Å; Y329-W636 PolarHBondContact OH-O 2.99Å; Y329-V640 VanDerWaalsContact CD1-O 3.26Å; Y329-V640 WeakPolarHBondContact CD1-O 3.44Å; Y329-V640 WeakPolarHBondContact CE1-O 3.28Å; Y329-Y669 WeakPolarHBondContact O-CA 3.22Å; Y329-V670 HydrophobicContact CD2-CG1 4.42Å; Y329-V670 PolarHBondContact N-O 3.48Å; Y329-V670 PolarHBondContact O-N 3.12Å; Y329-R672 HydrophobicContact CD1-CG 3.91Å; Y329-R672 HydrophobicContact CD2-CG 3.88Å; Y329-R672 HydrophobicContact CE1-CG 3.76Å; Y329-R672 HydrophobicContact CE2-CB 4.3Å; Y329-R672 HydrophobicContact CE2-CG 3.74Å; Y329-R672 HydrophobicContact CG-CG 3.96Å; Y329-M676 PolarHBondContact OH-SD 2.8Å; Y329-M676 VanDerWaalsContact OH-SD 3.4Å; Y329-L767 HydrophobicContact CE2-CD2 4.26Å; Y329-L767 WeakPolarHBondContact OH-CD2 3.43Å |
| 330 | I | 98.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 123.6 | -173.8 | -51.8 | 178.1 | 0 | 0 | 0 | 108.3 | L325 T332 R361 L420 L615 Q641 L642 G668 Y669 | L325-I330 HydrophobicContact CD2-CD1 4.32Å; I330-T332 PolarHBondContact O-N 3.19Å; I330-T332 PolarHBondContact O-OG1 3.45Å; I330-R361 HydrophobicContact CG2-CB 3.69Å; I330-L420 HydrophobicContact CD1-CD1 4.07Å; I330-L420 HydrophobicContact CG2-CD1 4.31Å; I330-L615 HydrophobicContact CD1-CD2 4.33Å; I330-Q641 PolarHBondContact N-O 3.32Å; I330-L642 HydrophobicContact CB-CD2 4.29Å; I330-L642 HydrophobicContact CB-CG 4.22Å; I330-L642 HydrophobicContact CD1-CD2 4.4Å; I330-L642 HydrophobicContact CD1-CG 4.35Å; I330-L642 HydrophobicContact CG2-CD2 4.37Å; I330-G668 WeakPolarHBondContact CA-O 3.49Å; I330-Y669 HydrophobicContact CB-CE1 4.34Å; I330-Y669 HydrophobicContact CD1-CD1 4.37Å; I330-Y669 HydrophobicContact CD1-CE1 3.67Å; I330-Y669 HydrophobicContact CG1-CD1 3.87Å; I330-Y669 HydrophobicContact CG1-CE1 3.6Å; I330-Y669 HydrophobicContact CG2-CD1 4.49Å; I330-Y669 HydrophobicContact CG2-CE1 3.93Å |
| 331 | S | 98.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -61.8 | 121.4 | 179.9 | -179 | 0 | 0 | 0 | 0 | 109.8 | C360 R361 C362 H657 F661 G668 | S331-C360 PolarHBondContact O-SG 2.99Å; S331-R361 CarbonylContact O-C 3.05Å; S331-R361 PolarHBondContact O-N 3.16Å; S331-C362 PolarHBondContact O-N 2.92Å; S331-H657 PolarHBondContact OG-CE1 3.29Å; S331-H657 PolarHBondContact OG-NE2 2.92Å; S331-F661 VanDerWaalsContact CA-CZ 3.46Å; S331-G668 PolarHBondContact N-O 3.41Å | ||
| 332 | T | 98.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 127.6 | -167.2 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | I330 C362 L642 A644 L645 | I330-T332 PolarHBondContact O-N 3.19Å; I330-T332 PolarHBondContact O-OG1 3.45Å; T332-C362 WeakPolarHBondContact CA-O 3.45Å; T332-C362 HydrophobicContact CG2-CB 3.8Å; T332-L642 HydrophobicContact CG2-CB 4.29Å; T332-L642 WeakPolarHBondContact OG1-CA 3.22Å; T332-L642 WeakPolarHBondContact OG1-CB 3.3Å; T332-A644 HydrophobicContact CG2-CB 3.58Å; T332-L645 PolarHBondContact O-N 3.35Å |
| 333 | S | 95.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 141.7 | 174.1 | 64.5 | 0 | 0 | 0 | 0 | 111.6 | C360 C362 L363 L645 | S333-C360 PolarHBondContact N-SG 2.83Å; S333-C360 VanDerWaalsContact N-SG 3.42Å; S333-C362 PolarHBondContact N-O 3.38Å; S333-C362 PolarHBondContact OG-O 3.16Å; S333-L363 WeakPolarHBondContact OG-CD2 3.36Å; S333-L645 CarbonylContact C-O 3.44Å; S333-L645 WeakPolarHBondContact CA-O 3.43Å |
| 334 | Y | 93.6 | Very high | 88.3 | Confident | 14 Ų | 14 | 23.1 Ų | 23.1 | 6% | 0.055 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -97 | 117.5 | 169.8 | -169.6 | -109.4 | 0 | 0 | 0 | 109.2 | S336 E364 R619 P620 A644 L645 N646 | Y334-S336 VanDerWaalsContact C-N 3.25Å; Y334-S336 PolarHBondContact O-N 3.34Å; Y334-E364 WeakPolarHBondContact CD2-OE2 3.42Å; Y334-E364 WeakPolarHBondContact CE2-OE2 3.42Å; Y334-R619 HydrophobicContact CD2-CB 4.38Å; Y334-R619 HydrophobicContact CE2-CB 4.07Å; Y334-P620 HydrophobicContact CD1-CB 4.46Å; Y334-P620 HydrophobicContact CD1-CG 3.87Å; Y334-P620 HydrophobicContact CD2-CG 4.38Å; Y334-P620 HydrophobicContact CE1-CG 4.43Å; Y334-P620 HydrophobicContact CG-CG 3.82Å; Y334-A644 HydrophobicContact CD2-CB 4.27Å; Y334-L645 PolarHBondContact N-O 2.87Å; Y334-N646 WeakPolarHBondContact CD1-OD1 3.27Å |
| 335 | R | 90.3 | Very high | 87.2 | Confident | 7 Ų | 7 | 22.1 Ų | 22.1 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 40.8 | 48.8 | 174.7 | -59.2 | 179.8 | 177.3 | -166.4 | -11.4 | 114.1 | Y337 L338 E364 D380 | R335-Y337 HydrophobicContact CB-CD1 4.43Å; R335-Y337 HydrophobicContact CB-CE1 3.87Å; R335-Y337 HydrophobicContact CG-CE1 4.16Å; R335-Y337 PolarHBondContact O-N 3.29Å; R335-L338 HydrophobicContact CB-CD1 3.86Å; R335-L338 HydrophobicContact CB-CG 4.15Å; R335-L338 WeakPolarHBondContact O-CB 3.39Å; R335-L338 PolarHBondContact O-N 3.09Å; R335-E364 HydrophobicContact CG-CG 4.12Å; R335-E364 IonicContact NE-OE1 3.87Å; R335-D380 IonicContact NH1-OD2 3.63Å; R335-D380 IonicContact NH2-OD2 2.68Å; R335-D380 PolarHBondContact NH2-OD2 2.72Å |
| 336 | S | 89.6 | Confident | 86.6 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -7.5 | -173.4 | 62 | 0 | 0 | 0 | 0 | 114.4 | Y334 L338 G351 | Y334-S336 VanDerWaalsContact C-N 3.25Å; Y334-S336 PolarHBondContact O-N 3.34Å; S336-L338 VanDerWaalsContact C-N 3.27Å; S336-G351 CarbonylContact O-C 3.6Å; S336-G351 WeakPolarHBondContact O-CA 3.43Å |
| 337 | Y | 89.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -13 | 170 | 63.2 | -90.4 | 0 | 0 | 0 | 113 | R335 A347 D348 E364 L365 G366 L377 G378 | R335-Y337 HydrophobicContact CB-CD1 4.43Å; R335-Y337 HydrophobicContact CB-CE1 3.87Å; R335-Y337 HydrophobicContact CG-CE1 4.16Å; R335-Y337 PolarHBondContact O-N 3.29Å; Y337-A347 HydrophobicContact CD2-CB 3.84Å; Y337-A347 HydrophobicContact CE2-CB 4.42Å; Y337-A347 CarbonylContact O-C 3.52Å; Y337-A347 VanDerWaalsContact O-CA 3.29Å; Y337-A347 WeakPolarHBondContact O-CA 3.46Å; Y337-D348 WeakPolarHBondContact CA-O 3.18Å; Y337-D348 PolarHBondContact O-N 3.37Å; Y337-E364 WeakPolarHBondContact CE1-O 3.49Å; Y337-L365 HydrophobicContact CD1-CD2 4.15Å; Y337-G366 WeakPolarHBondContact OH-CA 3.16Å; Y337-G366 PolarHBondContact OH-N 2.68Å; Y337-G366 PolarHBondContact OH-O 3.02Å; Y337-L377 HydrophobicContact CD1-CD2 4.08Å; Y337-L377 HydrophobicContact CD2-CB 4.11Å; Y337-L377 HydrophobicContact CD2-CD2 4.04Å; Y337-L377 HydrophobicContact CD2-CG 4.48Å; Y337-L377 HydrophobicContact CE2-CB 4.14Å; Y337-L377 HydrophobicContact CG-CD2 3.76Å; Y337-G378 PolarHBondContact OH-O 3.49Å |
| 338 | L | 87.7 | Confident | 86 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -84.5 | 126.5 | 175 | -62.6 | 178.4 | 0 | 0 | 0 | 110 | R335 S336 G345 V379 Q648 | R335-L338 HydrophobicContact CB-CD1 3.86Å; R335-L338 HydrophobicContact CB-CG 4.15Å; R335-L338 WeakPolarHBondContact O-CB 3.39Å; R335-L338 PolarHBondContact O-N 3.09Å; S336-L338 VanDerWaalsContact C-N 3.27Å; L338-G345 WeakPolarHBondContact CD2-O 3.46Å; L338-V379 HydrophobicContact CD1-CG2 4.23Å; L338-V379 HydrophobicContact CD2-CG2 3.81Å; L338-Q648 WeakPolarHBondContact O-CG 3.49Å |
| 339 | L | 79.2 | Confident | 85.8 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 25% | 0.246 | 17% | 0.171 | C | C | . | . | trans | -82.6 | -29.8 | -179.1 | -72.2 | 175.2 | 0 | 0 | 0 | 114.1 | R346 D348 Q648 | L339-R346 HydrophobicContact CB-CG 4.19Å; L339-R346 HydrophobicContact CD1-CG 3.96Å; L339-R346 HydrophobicContact CG-CG 4.45Å; L339-R346 PolarHBondContact N-O 3.13Å; L339-R346 VanDerWaalsContact N-O 3.14Å; L339-D348 HydrophobicContact CD1-CB 3.4Å; L339-D348 VanDerWaalsContact CD1-CB 3.4Å; L339-D348 HydrophobicContact CD2-CB 4Å; L339-D348 HydrophobicContact CG-CB 3.56Å; L339-Q648 WeakPolarHBondContact O-CB 3.4Å | ||
| 340 | D | 76.9 | Confident | 85.6 | Confident | 86 Ų | 86 | 35.3 Ų | 35.3 | 46% | 0.46 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -125.2 | -127.1 | -169.3 | -51 | -57.1 | 0 | 0 | 0 | 110.6 | S627 Q648 | D340-S627 PolarHBondContact O-OG 3.01Å; D340-Q648 PolarHBondContact O-NE2 3.42Å |
| 341 | D | 75.4 | Confident | 85.3 | Confident | 48 Ų | 48 | 35.7 Ų | 35.7 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | trans | -79.3 | 165.8 | -176.5 | 76.9 | 67.1 | 0 | 0 | 0 | 113.2 | V343 H344 G345 L625 | D341-V343 PolarHBondContact O-N 3.21Å; D341-V343 WeakPolarHBondContact OD1-CA 3.43Å; D341-V343 WeakPolarHBondContact OD1-CB 3.48Å; D341-V343 PolarHBondContact OD1-N 2.84Å; D341-H344 PolarHBondContact OD1-N 3.37Å; D341-H344 IonicContact OD1-ND1 2.83Å; D341-H344 IonicContact OD2-ND1 2.73Å; D341-G345 WeakPolarHBondContact O-CA 3.37Å; D341-G345 PolarHBondContact O-N 3.37Å; D341-L625 VanDerWaalsContact CB-O 3.3Å; D341-L625 WeakPolarHBondContact CB-O 3.49Å | ||
| 342 | Q | 75.3 | Confident | 85.2 | Confident | 24 Ų | 24 | 35.7 Ų | 35.7 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -3.5 | -175.6 | -66 | -62.9 | -52.4 | 0 | 0 | 114.5 | V379 R624 L625 S627 N646 | Q342-V379 WeakPolarHBondContact O-CG1 3.46Å; Q342-R624 WeakPolarHBondContact CG-O 3.43Å; Q342-L625 PolarHBondContact N-O 2.98Å; Q342-S627 PolarHBondContact NE2-OG 3.24Å; Q342-N646 PolarHBondContact NE2-OD1 2.92Å |
| 343 | V | 67.9 | Low | 85.1 | Confident | 59 Ų | 59 | 37.5 Ų | 37.5 | 36% | 0.358 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -49 | -170.7 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | D341 L625 | D341-V343 PolarHBondContact O-N 3.21Å; D341-V343 WeakPolarHBondContact OD1-CA 3.43Å; D341-V343 WeakPolarHBondContact OD1-CB 3.48Å; D341-V343 PolarHBondContact OD1-N 2.84Å; V343-L625 HydrophobicContact CG2-CD2 3.82Å |
| 344 | H | 66.7 | Low | 85 | Confident | 137 Ų | 137 | 44.7 Ų | 44.7 | 63% | 0.634 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -0.6 | -179.7 | -46.9 | 99.3 | 0 | 0 | 0 | 112.2 | D341 R346 | D341-H344 PolarHBondContact OD1-N 3.37Å; D341-H344 IonicContact OD1-ND1 2.83Å; D341-H344 IonicContact OD2-ND1 2.73Å; H344-R346 PolarHBondContact O-N 3.42Å |
| 345 | G | 68.4 | Low | 85.1 | Confident | 4 Ų | 4 | 44 Ų | 44 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -54.5 | 126.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | L338 D341 | L338-G345 WeakPolarHBondContact CD2-O 3.46Å; D341-G345 WeakPolarHBondContact O-CA 3.37Å; D341-G345 PolarHBondContact O-N 3.37Å |
| 346 | R | 81.4 | Confident | 85.4 | Confident | 158 Ų | 158 | 43.7 Ų | 43.7 | 60% | 0.596 | 22% | 0.223 | S | C | * | . | P | Polyproline II helix | trans | -78.4 | 141.9 | 176.6 | 68.9 | -170.2 | -165.1 | -162 | 2.9 | 110.9 | L339 H344 | L339-R346 HydrophobicContact CB-CG 4.19Å; L339-R346 HydrophobicContact CD1-CG 3.96Å; L339-R346 HydrophobicContact CG-CG 4.45Å; L339-R346 PolarHBondContact N-O 3.13Å; L339-R346 VanDerWaalsContact N-O 3.14Å; H344-R346 PolarHBondContact O-N 3.42Å |
| 347 | A | 87.1 | Confident | 85.6 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -76.3 | 135 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y337 L377 V398 | Y337-A347 HydrophobicContact CD2-CB 3.84Å; Y337-A347 HydrophobicContact CE2-CB 4.42Å; Y337-A347 CarbonylContact O-C 3.52Å; Y337-A347 VanDerWaalsContact O-CA 3.29Å; Y337-A347 WeakPolarHBondContact O-CA 3.46Å; A347-L377 HydrophobicContact CB-CB 4.21Å; A347-V398 HydrophobicContact CB-CB 4.06Å; A347-V398 HydrophobicContact CB-CG2 4.02Å; A347-V398 VanDerWaalsContact O-CG2 3.31Å; A347-V398 WeakPolarHBondContact O-CG2 3.43Å |
| 348 | D | 89.8 | Confident | 85.8 | Confident | 59 Ų | 59 | 51.1 Ų | 51.1 | 32% | 0.316 | 26% | 0.264 | S | S | . | . | trans | -144.5 | 143.2 | 178.6 | 179.7 | 57.7 | 0 | 0 | 0 | 111.4 | Y337 L339 G350 G351 | Y337-D348 WeakPolarHBondContact CA-O 3.18Å; Y337-D348 PolarHBondContact O-N 3.37Å; L339-D348 HydrophobicContact CD1-CB 3.4Å; L339-D348 VanDerWaalsContact CD1-CB 3.4Å; L339-D348 HydrophobicContact CD2-CB 4Å; L339-D348 HydrophobicContact CG-CB 3.56Å; D348-G350 WeakPolarHBondContact OD2-CA 3.46Å; D348-G350 PolarHBondContact OD2-N 2.97Å; D348-G351 PolarHBondContact OD2-N 3.26Å | ||
| 349 | L | 93.6 | Very high | 86.1 | Confident | 45 Ų | 45 | 51.2 Ų | 51.2 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -76.4 | -27.2 | 179.5 | -66.5 | 176.4 | 0 | 0 | 0 | 112.4 | G351 L352 I353 V398 A403 V406 | L349-G351 VanDerWaalsContact C-N 3.27Å; L349-G351 PolarHBondContact O-N 3.39Å; L349-L352 HydrophobicContact CD2-CD1 4.24Å; L349-L352 WeakPolarHBondContact O-CB 3.35Å; L349-L352 PolarHBondContact O-N 3.11Å; L349-L352 VanDerWaalsContact O-N 3.14Å; L349-I353 WeakPolarHBondContact O-CG1 3.47Å; L349-I353 PolarHBondContact O-N 3.06Å; L349-I353 VanDerWaalsContact O-N 3.13Å; L349-V398 HydrophobicContact CD2-CG1 3.56Å; L349-V398 HydrophobicContact CG-CG1 4Å; L349-A403 HydrophobicContact CD2-CB 4.1Å; L349-V406 HydrophobicContact CB-CG2 4.22Å; L349-V406 HydrophobicContact CD1-CG2 4Å; L349-V406 HydrophobicContact CD2-CG2 4.13Å; L349-V406 HydrophobicContact CG-CG2 4.35Å |
| 350 | G | 94.1 | Very high | 87 | Confident | 23 Ų | 23 | 49 Ų | 49 | 24% | 0.237 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -35.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D348 L352 I353 K354 | D348-G350 WeakPolarHBondContact OD2-CA 3.46Å; D348-G350 PolarHBondContact OD2-N 2.97Å; G350-L352 PolarHBondContact O-N 3.24Å; G350-I353 PolarHBondContact O-N 2.66Å; G350-K354 WeakPolarHBondContact O-CG 3.38Å; G350-K354 PolarHBondContact O-N 2.71Å |
| 351 | G | 92.5 | Very high | 88 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -36.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S336 D348 L349 A355 | S336-G351 CarbonylContact O-C 3.6Å; S336-G351 WeakPolarHBondContact O-CA 3.43Å; D348-G351 PolarHBondContact OD2-N 3.26Å; L349-G351 VanDerWaalsContact C-N 3.27Å; L349-G351 PolarHBondContact O-N 3.39Å; G351-A355 WeakPolarHBondContact O-CB 3.34Å; G351-A355 PolarHBondContact O-N 2.71Å; G351-A355 VanDerWaalsContact O-N 3.11Å |
| 352 | L | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 171.5 | -62.9 | 174.2 | 0 | 0 | 0 | 111.7 | L349 G350 A355 L356 L363 L365 L377 A403 V406 | L349-L352 HydrophobicContact CD2-CD1 4.24Å; L349-L352 WeakPolarHBondContact O-CB 3.35Å; L349-L352 PolarHBondContact O-N 3.11Å; L349-L352 VanDerWaalsContact O-N 3.14Å; G350-L352 PolarHBondContact O-N 3.24Å; L352-A355 PolarHBondContact O-N 3.33Å; L352-L356 WeakPolarHBondContact O-CG 3.45Å; L352-L356 PolarHBondContact O-N 3.38Å; L352-L363 HydrophobicContact CD2-CD1 4.46Å; L352-L365 HydrophobicContact CD1-CD2 4.35Å; L352-L365 HydrophobicContact CD2-CD2 3.85Å; L352-L377 HydrophobicContact CD1-CD2 4.36Å; L352-A403 HydrophobicContact CD1-CB 3.9Å; L352-V406 HydrophobicContact CB-CG1 4.28Å |
| 353 | I | 96.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 41.5 Ų | 41.5 | 20% | 0.195 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -50.6 | 178 | -64.5 | 170.3 | 0 | 0 | 0 | 110.1 | L349 G350 A355 L356 Q357 V406 Y410 | L349-I353 WeakPolarHBondContact O-CG1 3.47Å; L349-I353 PolarHBondContact O-N 3.06Å; L349-I353 VanDerWaalsContact O-N 3.13Å; G350-I353 PolarHBondContact O-N 2.66Å; I353-A355 VanDerWaalsContact C-N 3.35Å; I353-A355 PolarHBondContact O-N 2.79Å; I353-L356 PolarHBondContact O-N 2.65Å; I353-Q357 HydrophobicContact CG2-CG 4.26Å; I353-Q357 WeakPolarHBondContact O-CB 3.32Å; I353-Q357 WeakPolarHBondContact O-CG 3.32Å; I353-Q357 PolarHBondContact O-N 3.5Å; I353-V406 HydrophobicContact CD1-CG1 4.21Å; I353-V406 HydrophobicContact CG1-CG1 3.48Å; I353-V406 VanDerWaalsContact CG1-CG1 3.48Å; I353-Y410 HydrophobicContact CD1-CE2 4.07Å; I353-Y410 HydrophobicContact CG1-CD2 4.03Å; I353-Y410 HydrophobicContact CG1-CE2 3.89Å; I353-Y410 HydrophobicContact CG2-CD1 4.24Å; I353-Y410 HydrophobicContact CG2-CE1 4.03Å; I353-Y410 HydrophobicContact CG2-CE2 4.36Å |
| 354 | K | 94.1 | Very high | 91.5 | Very high | 150 Ų | 150 | 38.9 Ų | 38.9 | 65% | 0.652 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -58.2 | -45.2 | 179.1 | -74 | 178.8 | -179.5 | -176.7 | 0 | 111.8 | G350 L356 Q357 S358 | G350-K354 WeakPolarHBondContact O-CG 3.38Å; G350-K354 PolarHBondContact O-N 2.71Å; K354-L356 PolarHBondContact O-N 2.96Å; K354-Q357 PolarHBondContact O-N 3.05Å; K354-S358 PolarHBondContact O-N 3.45Å; K354-S358 PolarHBondContact O-OG 2.8Å |
| 355 | A | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G351 L352 I353 S358 C360 L363 Q647 | G351-A355 WeakPolarHBondContact O-CB 3.34Å; G351-A355 PolarHBondContact O-N 2.71Å; G351-A355 VanDerWaalsContact O-N 3.11Å; L352-A355 PolarHBondContact O-N 3.33Å; I353-A355 VanDerWaalsContact C-N 3.35Å; I353-A355 PolarHBondContact O-N 2.79Å; A355-S358 PolarHBondContact O-N 2.99Å; A355-S358 PolarHBondContact O-OG 2.89Å; A355-C360 HydrophobicContact CB-CB 4.13Å; A355-C360 WeakPolarHBondContact O-CB 3.36Å; A355-C360 PolarHBondContact O-N 2.92Å; A355-L363 HydrophobicContact CB-CD2 3.93Å; A355-Q647 HydrophobicContact CB-CG 4.46Å |
| 356 | L | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.1 | -39.5 | 177.8 | -72.1 | 171.1 | 0 | 0 | 0 | 112.2 | L352 I353 K354 S358 G359 L363 V407 T414 L419 | L352-L356 WeakPolarHBondContact O-CG 3.45Å; L352-L356 PolarHBondContact O-N 3.38Å; I353-L356 PolarHBondContact O-N 2.65Å; K354-L356 PolarHBondContact O-N 2.96Å; L356-S358 VanDerWaalsContact C-N 3.27Å; L356-S358 PolarHBondContact O-N 3.21Å; L356-G359 PolarHBondContact O-N 2.97Å; L356-L363 HydrophobicContact CD1-CD1 4.06Å; L356-L363 HydrophobicContact CD2-CD1 3.8Å; L356-L363 HydrophobicContact CD2-CG 4.35Å; L356-L363 HydrophobicContact CG-CD1 3.91Å; L356-V407 HydrophobicContact CD1-CG2 4.45Å; L356-T414 PolarHBondContact O-OG1 3.15Å; L356-L419 HydrophobicContact CD2-CD1 3.82Å; L356-L419 HydrophobicContact CD2-CD2 4.08Å |
| 357 | Q | 94.8 | Very high | 94.3 | Very high | 96 Ų | 96 | 24.8 Ų | 24.8 | 45% | 0.449 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.2 | -29.1 | 175.6 | -74 | 178.5 | -37.3 | 0 | 0 | 112.7 | I353 K354 G359 Y410 L413 T414 | I353-Q357 HydrophobicContact CG2-CG 4.26Å; I353-Q357 WeakPolarHBondContact O-CB 3.32Å; I353-Q357 WeakPolarHBondContact O-CG 3.32Å; I353-Q357 PolarHBondContact O-N 3.5Å; K354-Q357 PolarHBondContact O-N 3.05Å; Q357-G359 PolarHBondContact O-N 3.24Å; Q357-Y410 HydrophobicContact CG-CD1 4.47Å; Q357-L413 HydrophobicContact CG-CD2 4.43Å; Q357-T414 WeakPolarHBondContact O-CG2 3.25Å |
| 358 | S | 92.4 | Very high | 94.4 | Very high | 63 Ų | 63 | 24.9 Ų | 24.9 | 44% | 0.441 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 4.1 | 173 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | K354 A355 L356 | K354-S358 PolarHBondContact O-N 3.45Å; K354-S358 PolarHBondContact O-OG 2.8Å; A355-S358 PolarHBondContact O-N 2.99Å; A355-S358 PolarHBondContact O-OG 2.89Å; L356-S358 VanDerWaalsContact C-N 3.27Å; L356-S358 PolarHBondContact O-N 3.21Å |
| 359 | G | 95.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 13.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L356 Q357 R361 G668 | L356-G359 PolarHBondContact O-N 2.97Å; Q357-G359 PolarHBondContact O-N 3.24Å; G359-R361 WeakPolarHBondContact O-CG 3.39Å; G359-R361 PolarHBondContact O-N 3.03Å; G359-G668 WeakPolarHBondContact O-CA 3.22Å |
| 360 | C | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -57 | 133.9 | 176.3 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | S331 S333 A355 C362 L363 | S331-C360 PolarHBondContact O-SG 2.99Å; S333-C360 PolarHBondContact N-SG 2.83Å; S333-C360 VanDerWaalsContact N-SG 3.42Å; A355-C360 HydrophobicContact CB-CB 4.13Å; A355-C360 WeakPolarHBondContact O-CB 3.36Å; A355-C360 PolarHBondContact O-N 2.92Å; C360-C362 PolarHBondContact SG-O 3.33Å; C360-L363 HydrophobicContact CB-CD2 4.38Å | ||
| 361 | R | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -117.5 | 2.5 | -176.7 | -64.1 | -64.4 | 86.8 | 179.7 | -0.1 | 113.7 | I330 S331 G359 A411 S415 Y417 L420 S667 Y669 | I330-R361 HydrophobicContact CG2-CB 3.69Å; S331-R361 CarbonylContact O-C 3.05Å; S331-R361 PolarHBondContact O-N 3.16Å; G359-R361 WeakPolarHBondContact O-CG 3.39Å; G359-R361 PolarHBondContact O-N 3.03Å; R361-A411 PolarHBondContact NH1-O 2.73Å; R361-A411 PolarHBondContact NH2-O 2.73Å; R361-S415 PolarHBondContact NH1-O 3Å; R361-Y417 PolarHBondContact NH1-O 3.45Å; R361-L420 PolarHBondContact O-N 3.18Å; R361-S667 WeakPolarHBondContact CG-O 3.43Å; R361-Y669 HydrophobicContact CB-CD2 4.34Å; R361-Y669 HydrophobicContact CB-CE2 3.67Å; R361-Y669 HydrophobicContact CG-CD2 3.74Å; R361-Y669 HydrophobicContact CG-CE2 3.41Å; R361-Y669 VanDerWaalsContact CG-CE2 3.41Å | ||
| 362 | C | 98.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 113.1 | 170.4 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | S331 T332 S333 C360 L420 L642 | S331-C362 PolarHBondContact O-N 2.92Å; T332-C362 WeakPolarHBondContact CA-O 3.45Å; T332-C362 HydrophobicContact CG2-CB 3.8Å; S333-C362 PolarHBondContact N-O 3.38Å; S333-C362 PolarHBondContact OG-O 3.16Å; C360-C362 PolarHBondContact SG-O 3.33Å; C362-L420 CarbonylContact C-O 3.58Å; C362-L420 VanDerWaalsContact CA-O 3.27Å; C362-L420 WeakPolarHBondContact CA-O 3.44Å; C362-L420 HydrophobicContact CB-CB 3.96Å; C362-L420 HydrophobicContact CB-CD1 4.36Å; C362-L642 HydrophobicContact CB-CD2 3.69Å; C362-L642 VanDerWaalsContact SG-CD2 3.59Å |
| 363 | L | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.7 | 179.9 | -63.2 | 178.6 | 0 | 0 | 0 | 110.4 | S333 L352 A355 L356 C360 V407 L419 L420 L421 Y422 | S333-L363 WeakPolarHBondContact OG-CD2 3.36Å; L352-L363 HydrophobicContact CD2-CD1 4.46Å; A355-L363 HydrophobicContact CB-CD2 3.93Å; L356-L363 HydrophobicContact CD1-CD1 4.06Å; L356-L363 HydrophobicContact CD2-CD1 3.8Å; L356-L363 HydrophobicContact CD2-CG 4.35Å; L356-L363 HydrophobicContact CG-CD1 3.91Å; C360-L363 HydrophobicContact CB-CD2 4.38Å; L363-V407 HydrophobicContact CD1-CG2 3.9Å; L363-L419 HydrophobicContact CD1-CD2 4.44Å; L363-L419 HydrophobicContact CG-CD1 4.33Å; L363-L420 PolarHBondContact N-O 2.97Å; L363-L421 HydrophobicContact CB-CD1 4.12Å; L363-Y422 PolarHBondContact O-N 2.96Å |
| 364 | E | 95.3 | Very high | 93 | Very high | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.2 | 168.8 | 176 | 167.6 | 162.2 | 0 | 0 | 111.4 | Y334 R335 Y337 Y422 C424 R617 | Y334-E364 WeakPolarHBondContact CD2-OE2 3.42Å; Y334-E364 WeakPolarHBondContact CE2-OE2 3.42Å; R335-E364 HydrophobicContact CG-CG 4.12Å; R335-E364 IonicContact NE-OE1 3.87Å; Y337-E364 WeakPolarHBondContact CE1-O 3.49Å; E364-Y422 WeakPolarHBondContact CA-O 3.49Å; E364-Y422 HydrophobicContact CB-CD1 4.25Å; E364-Y422 HydrophobicContact CG-CD1 3.93Å; E364-C424 PolarHBondContact OE1-SG 3.46Å; E364-C424 VanDerWaalsContact OE1-SG 3.41Å; E364-R617 IonicContact OE2-CZ 3.89Å; E364-R617 IonicContact OE2-NH1 2.68Å; E364-R617 PolarHBondContact OE2-NH1 3.31Å; E364-R617 IonicContact OE2-NH2 2.97Å; E364-R617 PolarHBondContact OE2-NH2 3.27Å |
| 365 | L | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.3 | 171.1 | -59.6 | -172.7 | 0 | 0 | 0 | 109.2 | Y337 L352 V367 L377 I400 L404 L421 Y422 L423 C424 | Y337-L365 HydrophobicContact CD1-CD2 4.15Å; L352-L365 HydrophobicContact CD1-CD2 4.35Å; L352-L365 HydrophobicContact CD2-CD2 3.85Å; L365-V367 HydrophobicContact CB-CG2 4.37Å; L365-L377 HydrophobicContact CD2-CD2 4.13Å; L365-I400 HydrophobicContact CD1-CD1 3.86Å; L365-L404 HydrophobicContact CD1-CD2 4.34Å; L365-L421 HydrophobicContact CD1-CD1 3.71Å; L365-L421 HydrophobicContact CD1-CD2 4.17Å; L365-L421 HydrophobicContact CD1-CG 4.21Å; L365-L421 HydrophobicContact CG-CD1 3.84Å; L365-Y422 PolarHBondContact N-O 3.14Å; L365-L423 HydrophobicContact CB-CD1 4.4Å; L365-C424 PolarHBondContact O-N 3.06Å; L365-C424 VanDerWaalsContact O-O 3.11Å |
| 366 | G | 90.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y337 L377 G378 C424 | Y337-G366 WeakPolarHBondContact OH-CA 3.16Å; Y337-G366 PolarHBondContact OH-N 2.68Å; Y337-G366 PolarHBondContact OH-O 3.02Å; G366-L377 WeakPolarHBondContact O-CA 3.32Å; G366-G378 PolarHBondContact O-N 3.31Å; G366-C424 CarbonylContact C-O 3.57Å; G366-C424 WeakPolarHBondContact CA-O 2.79Å |
| 367 | V | 91.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.9 | -171 | -166 | 0 | 0 | 0 | 0 | 111.4 | L365 P375 L376 I400 L423 C424 H425 R426 M435 | L365-V367 HydrophobicContact CB-CG2 4.37Å; V367-P375 HydrophobicContact CG1-CB 3.58Å; V367-L376 WeakPolarHBondContact CA-O 3.27Å; V367-L376 WeakPolarHBondContact CG1-O 3.16Å; V367-I400 HydrophobicContact CG1-CB 4.42Å; V367-I400 HydrophobicContact CG2-CD1 3.85Å; V367-L423 HydrophobicContact CG2-CD1 3.61Å; V367-C424 PolarHBondContact N-O 2.93Å; V367-H425 HydrophobicContact CB-CB 4.07Å; V367-H425 WeakPolarHBondContact O-CA 3.39Å; V367-R426 PolarHBondContact O-N 3.31Å; V367-M435 HydrophobicContact CB-SD 4.31Å; V367-M435 HydrophobicContact CG1-SD 4.03Å; V367-M435 HydrophobicContact CG2-SD 4.24Å |
| 368 | T | 89.2 | Confident | 91.4 | Very high | 28 Ų | 28 | 28.4 Ų | 28.4 | 17% | 0.172 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 166.9 | 175.7 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | L376 C427 | T368-L376 PolarHBondContact N-O 2.92Å; T368-L376 PolarHBondContact O-N 3.46Å; T368-C427 VanDerWaalsContact C-SG 3.51Å |
| 369 | D | 89.4 | Confident | 90.1 | Very high | 67 Ų | 67 | 26 Ų | 26 | 36% | 0.358 | 15% | 0.151 | S | C | . | . | trans | -61.3 | 138.1 | 173.2 | -81.5 | -8.2 | 0 | 0 | 0 | 111.3 | C427 S428 Q431 | D369-C427 WeakPolarHBondContact OD1-CA 3.22Å; D369-C427 WeakPolarHBondContact OD1-CB 3.41Å; D369-S428 VanDerWaalsContact CG-N 3.29Å; D369-S428 PolarHBondContact OD1-N 2.86Å; D369-S428 PolarHBondContact OD1-OG 3Å; D369-S428 WeakPolarHBondContact OD2-CB 3.41Å; D369-S428 PolarHBondContact OD2-N 3.34Å; D369-S428 PolarHBondContact OD2-OG 3.19Å; D369-Q431 VanDerWaalsContact OD1-CB 3.26Å; D369-Q431 WeakPolarHBondContact OD1-CB 3.35Å; D369-Q431 VanDerWaalsContact OD1-CD 3.25Å; D369-Q431 WeakPolarHBondContact OD1-CG 3.15Å; D369-Q431 PolarHBondContact OD1-OE1 3.33Å | ||
| 370 | G | 88.3 | Confident | 88.2 | Confident | 14 Ų | 14 | 27.2 Ų | 27.2 | 14% | 0.144 | 16% | 0.157 | C | C | . | . | trans | -117.2 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E374 Q431 | G370-E374 CarbonylContact C-O 3.56Å; G370-E374 WeakPolarHBondContact CA-O 3.43Å; G370-E374 PolarHBondContact N-O 3.06Å; G370-Q431 PolarHBondContact O-NE2 3.1Å | ||
| 371 | P | 87.6 | Confident | 86 | Confident | 86 Ų | 86 | 34 Ų | 34 | 56% | 0.558 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -64.9 | 155.7 | 176 | 30.5 | -34 | 0 | 0 | 0 | 110.8 | G373 E374 | P371-G373 PolarHBondContact O-N 3.48Å; P371-E374 PolarHBondContact O-N 3.39Å |
| 372 | E | 86.7 | Confident | 83.3 | Confident | 208 Ų | 208 | 35.9 Ų | 35.9 | 97% | 0.972 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | 58.3 | 17.7 | 175.2 | -54.5 | -176.7 | 177 | 0 | 0 | 114.9 | E374 | E372-E374 VanDerWaalsContact C-N 3.33Š|
| 373 | G | 88.3 | Confident | 80.5 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | 79.8 | 10 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P371 | P371-G373 PolarHBondContact O-N 3.48Š|
| 374 | E | 92.9 | Very high | 77.7 | Confident | 44 Ų | 44 | 49.7 Ų | 49.7 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | trans | -94.9 | 119.7 | 175.7 | -176.4 | 62.1 | -163.9 | 0 | 0 | 110.7 | G370 P371 E372 T399 R401 Q431 H438 | G370-E374 CarbonylContact C-O 3.56Å; G370-E374 WeakPolarHBondContact CA-O 3.43Å; G370-E374 PolarHBondContact N-O 3.06Å; P371-E374 PolarHBondContact O-N 3.39Å; E372-E374 VanDerWaalsContact C-N 3.33Å; E374-T399 HydrophobicContact CG-CG2 3.69Å; E374-R401 WeakPolarHBondContact OE1-CB 3.49Å; E374-Q431 PolarHBondContact O-OE1 2.98Å; E374-H438 IonicContact OE1-CD2 3.08Å; E374-H438 IonicContact OE1-NE2 2.65Å; E374-H438 PolarHBondContact OE1-NE2 3.05Å; E374-H438 VanDerWaalsContact OE1-NE2 3.16Å; E374-H438 IonicContact OE2-CD2 3.39Å; E374-H438 IonicContact OE2-CE1 3.96Å; E374-H438 IonicContact OE2-NE2 3.09Å; E374-H438 PolarHBondContact OE2-NE2 3.28Å | ||
| 375 | P | 93.8 | Very high | 75.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -67.8 | 145.1 | 179.1 | -12.9 | 24.3 | 0 | 0 | 0 | 112.4 | V367 I400 Q431 M435 | V367-P375 HydrophobicContact CG1-CB 3.58Å; P375-I400 HydrophobicContact CB-CB 4.23Å; P375-I400 HydrophobicContact CB-CG2 3.7Å; P375-I400 HydrophobicContact CG-CG2 3.77Å; P375-I400 PolarHBondContact O-N 2.84Å; P375-Q431 VanDerWaalsContact CA-OE1 3.32Å; P375-Q431 HydrophobicContact CG-CB 4.17Å; P375-M435 HydrophobicContact CG-CB 4.15Å | ||
| 376 | L | 91.4 | Very high | 72.6 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 13% | 0.131 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 148.9 | -177.4 | -60.5 | 177.6 | 0 | 0 | 0 | 112.3 | V367 T368 P397 T399 | V367-L376 WeakPolarHBondContact CA-O 3.27Å; V367-L376 WeakPolarHBondContact CG1-O 3.16Å; T368-L376 PolarHBondContact N-O 2.92Å; T368-L376 PolarHBondContact O-N 3.46Å; L376-P397 HydrophobicContact CD1-CB 3.82Å; L376-P397 HydrophobicContact CD1-CG 4.08Å; L376-P397 HydrophobicContact CD2-CB 4.01Å; L376-P397 HydrophobicContact CD2-CG 4.15Å; L376-P397 HydrophobicContact CG-CB 4.46Å; L376-T399 HydrophobicContact CD2-CG2 3.97Å |
| 377 | L | 88.9 | Confident | 70.2 | Confident | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 134.2 | 164 | -84.2 | 69.5 | 0 | 0 | 0 | 109.2 | Y337 A347 L352 L365 G366 V398 I400 A403 | Y337-L377 HydrophobicContact CD1-CD2 4.08Å; Y337-L377 HydrophobicContact CD2-CB 4.11Å; Y337-L377 HydrophobicContact CD2-CD2 4.04Å; Y337-L377 HydrophobicContact CD2-CG 4.48Å; Y337-L377 HydrophobicContact CE2-CB 4.14Å; Y337-L377 HydrophobicContact CG-CD2 3.76Å; A347-L377 HydrophobicContact CB-CB 4.21Å; L352-L377 HydrophobicContact CD1-CD2 4.36Å; L365-L377 HydrophobicContact CD2-CD2 4.13Å; G366-L377 WeakPolarHBondContact O-CA 3.32Å; L377-V398 HydrophobicContact CB-CB 4.38Å; L377-V398 HydrophobicContact CB-CG1 4.36Å; L377-V398 HydrophobicContact CD2-CG1 4.25Å; L377-V398 PolarHBondContact N-O 3.13Å; L377-I400 VanDerWaalsContact CD1-CA 3.49Å; L377-I400 HydrophobicContact CD1-CB 4.18Å; L377-I400 HydrophobicContact CD1-CD1 3.77Å; L377-A403 HydrophobicContact CD1-CB 3.63Å; L377-A403 HydrophobicContact CD2-CB 3.6Å; L377-A403 HydrophobicContact CG-CB 4.29Å |
| 378 | G | 73.6 | Confident | 67.6 | Low | 13 Ų | 13 | 79 Ų | 79 | 13% | 0.134 | 43% | 0.425 | C | S | . | . | trans | -175.8 | -173.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y337 G366 | Y337-G378 PolarHBondContact OH-O 3.49Å; G366-G378 PolarHBondContact O-N 3.31Å | ||
| 379 | V | 65.1 | Low | 65.3 | Low | 12 Ų | 12 | 86.4 Ų | 86.4 | 7% | 0.073 | 46% | 0.458 | C | S | . | . | trans | -90.4 | 150 | 168 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | L338 Q342 Y381 | L338-V379 HydrophobicContact CD1-CG2 4.23Å; L338-V379 HydrophobicContact CD2-CG2 3.81Å; Q342-V379 WeakPolarHBondContact O-CG1 3.46Å; V379-Y381 VanDerWaalsContact O-CD2 3.31Å; V379-Y381 WeakPolarHBondContact O-CD2 3.42Å; V379-Y381 PolarHBondContact O-N 2.96Å | ||
| 380 | D | 55.4 | Low | 63 | Low | 27 Ų | 27 | 91.8 Ų | 91.8 | 14% | 0.144 | 48% | 0.48 | C | S | . | . | trans | -70.4 | 95.2 | -175.8 | -53.6 | -65 | 0 | 0 | 0 | 112.3 | R335 G382 R426 I499 | R335-D380 IonicContact NH1-OD2 3.63Å; R335-D380 IonicContact NH2-OD2 2.68Å; R335-D380 PolarHBondContact NH2-OD2 2.72Å; D380-G382 PolarHBondContact O-N 3.29Å; D380-R426 IonicContact OD1-CZ 2.84Å; D380-R426 IonicContact OD1-NH1 3.14Å; D380-R426 PolarHBondContact OD1-NH1 2.82Å; D380-R426 IonicContact OD1-NH2 3.7Å; D380-R426 PolarHBondContact OD1-NH2 2.67Å; D380-R426 IonicContact OD2-NH1 3.7Å; D380-I499 VanDerWaalsContact OD1-CG2 3.24Å; D380-I499 WeakPolarHBondContact OD1-CG2 3.48Å; D380-I499 WeakPolarHBondContact OD2-CG2 3.45Å | ||
| 381 | Y | 50.3 | Low | 60.6 | Low | 142 Ų | 142 | 99.1 Ų | 99.1 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | trans | -80.6 | 118.4 | 164.7 | -58.8 | -71.7 | 0 | 0 | 0 | 108.6 | V379 | V379-Y381 VanDerWaalsContact O-CD2 3.31Å; V379-Y381 WeakPolarHBondContact O-CD2 3.42Å; V379-Y381 PolarHBondContact O-N 2.96Å | ||
| 382 | G | 43 | Very low | 58.3 | Low | 41 Ų | 41 | 103 Ų | 103 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | trans | -58.9 | 158.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D380 D384 | D380-G382 PolarHBondContact O-N 3.29Å; G382-D384 PolarHBondContact O-N 2.76Å | ||
| 383 | P | 38.3 | Very low | 56.2 | Low | 131 Ų | 131 | 101.1 Ų | 101.1 | 85% | 0.851 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -13 | -173.4 | 20.5 | -30.8 | 0 | 0 | 0 | 115.3 | ||
| 384 | D | 39 | Very low | 54.1 | Low | 160 Ų | 160 | 109.2 Ų | 109.2 | 86% | 0.856 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 1.6 | -171.4 | -90.1 | -29.3 | 0 | 0 | 0 | 117.1 | G382 | G382-D384 PolarHBondContact O-N 2.76Š|
| 385 | I | 42.9 | Very low | 52.4 | Low | 135 Ų | 135 | 114.8 Ų | 114.8 | 69% | 0.692 | 57% | 0.566 | S | S | * | * | trans | -123.4 | 39 | -176.2 | -40.8 | 180 | 0 | 0 | 0 | 112.6 | R387 | I385-R387 PolarHBondContact O-N 3.17Š| ||
| 386 | S | 39.4 | Very low | 51.1 | Low | 100 Ų | 100 | 120.2 Ų | 120.2 | 70% | 0.699 | 60% | 0.604 | S | S | * | * | trans | -90.8 | 25.9 | -179.8 | -70.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 387 | R | 39.8 | Very low | 50.8 | Low | 218 Ų | 218 | 123 Ų | 123 | 82% | 0.823 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -139.1 | -2 | -172.8 | -76.8 | -165 | 174.7 | 176.9 | -0.2 | 121.3 | I385 | I385-R387 PolarHBondContact O-N 3.17Š|
| 388 | H | 36 | Very low | 50.9 | Low | 169 Ų | 169 | 123.5 Ų | 123.5 | 78% | 0.782 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -117.2 | 0.4 | -170.2 | -78.8 | -54 | 0 | 0 | 0 | 119.9 | ||
| 389 | H | 40.4 | Very low | 51.9 | Low | 185 Ų | 185 | 124.7 Ų | 124.7 | 86% | 0.856 | 63% | 0.632 | S | S | * | * | trans | -121.1 | 70.4 | 176.7 | -69.3 | -23.4 | 0 | 0 | 0 | 113.1 | H391 | H389-H391 VanDerWaalsContact C-N 3.33Š| ||
| 390 | H | 41.6 | Very low | 53.3 | Low | 180 Ų | 180 | 124.2 Ų | 124.2 | 83% | 0.833 | 63% | 0.629 | S | S | * | * | trans | -89.1 | 14.2 | 166.1 | -89.9 | -47.5 | 0 | 0 | 0 | 113.9 | ||||
| 391 | H | 38.4 | Very low | 55.3 | Low | 167 Ų | 167 | 127.9 Ų | 127.9 | 77% | 0.773 | 64% | 0.641 | S | S | * | * | trans | -129.2 | 86.3 | -178.6 | -85 | 14.3 | 0 | 0 | 0 | 112.3 | H389 | H389-H391 VanDerWaalsContact C-N 3.33Š| ||
| 392 | H | 38.6 | Very low | 57.5 | Low | 168 Ų | 168 | 122.5 Ų | 122.5 | 78% | 0.778 | 62% | 0.624 | S | S | * | * | S | Bend | 159.8 | 129.5 | 120.2 | -84.6 | -0.4 | 0 | 0 | 0 | 111.7 | |||
| 393 | H | 43.4 | Very low | 60 | Low | 169 Ų | 169 | 120.6 Ų | 120.6 | 78% | 0.782 | 60% | 0.604 | S | S | * | * | trans | 75.6 | 117.8 | 175.2 | -62.4 | -32.2 | 0 | 0 | 0 | 119.9 | H395 | H393-H395 PolarHBondContact O-N 3.08Å; H393-H395 VanDerWaalsContact O-N 3.08Å | ||
| 394 | H | 44 | Very low | 62.9 | Low | 200 Ų | 200 | 114.4 Ų | 114.4 | 93% | 0.926 | 56% | 0.564 | S | S | * | * | trans | -70.2 | 85.5 | 175.7 | -74.4 | -45.5 | 0 | 0 | 0 | 112.4 | ||||
| 395 | H | 56.4 | Low | 65.7 | Low | 160 Ų | 160 | 110.9 Ų | 110.9 | 74% | 0.741 | 54% | 0.543 | S | S | * | . | trans | -121.5 | 133.9 | 163.9 | -68.1 | -71.5 | 0 | 0 | 0 | 110.1 | H393 | H393-H395 PolarHBondContact O-N 3.08Å; H393-H395 VanDerWaalsContact O-N 3.08Å | ||
| 396 | S | 68.2 | Low | 68.3 | Low | 114 Ų | 114 | 105.5 Ų | 105.5 | 80% | 0.797 | 52% | 0.516 | S | S | * | . | trans | -72.5 | 139.8 | 178.3 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 397 | P | 84 | Confident | 71.1 | Confident | 84 Ų | 84 | 100.7 Ų | 100.7 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | trans | -62.7 | 147.8 | 178.6 | 27.2 | -34.6 | 0 | 0 | 0 | 111.4 | L376 T399 | L376-P397 HydrophobicContact CD1-CB 3.82Å; L376-P397 HydrophobicContact CD1-CG 4.08Å; L376-P397 HydrophobicContact CD2-CB 4.01Å; L376-P397 HydrophobicContact CD2-CG 4.15Å; L376-P397 HydrophobicContact CG-CB 4.46Å; P397-T399 PolarHBondContact O-N 2.9Å | ||
| 398 | V | 90.8 | Very high | 73.9 | Confident | 18 Ų | 18 | 92.1 Ų | 92.1 | 11% | 0.109 | 45% | 0.453 | C | S | . | . | trans | -81.1 | 113.1 | -179.2 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | A347 L349 L377 | A347-V398 HydrophobicContact CB-CB 4.06Å; A347-V398 HydrophobicContact CB-CG2 4.02Å; A347-V398 VanDerWaalsContact O-CG2 3.31Å; A347-V398 WeakPolarHBondContact O-CG2 3.43Å; L349-V398 HydrophobicContact CD2-CG1 3.56Å; L349-V398 HydrophobicContact CG-CG1 4Å; L377-V398 HydrophobicContact CB-CB 4.38Å; L377-V398 HydrophobicContact CB-CG1 4.36Å; L377-V398 HydrophobicContact CD2-CG1 4.25Å; L377-V398 PolarHBondContact N-O 3.13Å | ||
| 399 | T | 94.4 | Very high | 76.9 | Confident | 39 Ų | 39 | 91.4 Ų | 91.4 | 24% | 0.239 | 45% | 0.447 | C | S | . | . | B | Isolated β-bridge | trans | -72.4 | 154.2 | 176.3 | 63.1 | 0 | 0 | 0 | 0 | 112.4 | E374 L376 P397 R401 S402 A403 | E374-T399 HydrophobicContact CG-CG2 3.69Å; L376-T399 HydrophobicContact CD2-CG2 3.97Å; P397-T399 PolarHBondContact O-N 2.9Å; T399-R401 PolarHBondContact O-N 2.84Å; T399-S402 PolarHBondContact O-N 3.1Å; T399-S402 PolarHBondContact O-OG 2.89Å; T399-S402 WeakPolarHBondContact OG1-CB 3.26Å; T399-S402 PolarHBondContact OG1-N 2.87Å; T399-S402 VanDerWaalsContact OG1-N 3.12Å; T399-S402 PolarHBondContact OG1-OG 2.8Å; T399-A403 PolarHBondContact O-N 2.81Å |
| 400 | I | 95.1 | Very high | 79.6 | Confident | 1 Ų | 1 | 84.7 Ų | 84.7 | 1% | 0.005 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.2 | -38.7 | 170.8 | -170.6 | 55.4 | 0 | 0 | 0 | 111.4 | L365 V367 P375 L377 S402 A403 L404 M435 | L365-I400 HydrophobicContact CD1-CD1 3.86Å; V367-I400 HydrophobicContact CG1-CB 4.42Å; V367-I400 HydrophobicContact CG2-CD1 3.85Å; P375-I400 HydrophobicContact CB-CB 4.23Å; P375-I400 HydrophobicContact CB-CG2 3.7Å; P375-I400 HydrophobicContact CG-CG2 3.77Å; P375-I400 PolarHBondContact O-N 2.84Å; L377-I400 VanDerWaalsContact CD1-CA 3.49Å; L377-I400 HydrophobicContact CD1-CB 4.18Å; L377-I400 HydrophobicContact CD1-CD1 3.77Å; I400-S402 PolarHBondContact O-N 3.2Å; I400-A403 PolarHBondContact O-N 3.35Å; I400-L404 HydrophobicContact CD1-CD2 4.37Å; I400-L404 HydrophobicContact CD1-CG 4.21Å; I400-L404 HydrophobicContact CG1-CD1 4.08Å; I400-L404 HydrophobicContact CG1-CG 4.18Å; I400-L404 VanDerWaalsContact O-CG 3.26Å; I400-L404 WeakPolarHBondContact O-CG 3.38Å; I400-L404 PolarHBondContact O-N 2.81Å; I400-M435 HydrophobicContact CG1-CG 4.17Å; I400-M435 HydrophobicContact CG1-SD 4.28Å |
| 401 | R | 96.4 | Very high | 82.3 | Confident | 105 Ų | 105 | 76.1 Ų | 76.1 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 179.8 | 179.4 | 176.6 | 173.2 | 177.8 | -2.2 | 112.3 | E374 T399 A403 L404 E405 | E374-R401 WeakPolarHBondContact OE1-CB 3.49Å; T399-R401 PolarHBondContact O-N 2.84Å; R401-A403 VanDerWaalsContact C-N 3.31Å; R401-A403 PolarHBondContact O-N 2.86Å; R401-L404 PolarHBondContact O-N 2.75Å; R401-E405 IonicContact CZ-OE1 2.77Å; R401-E405 IonicContact NE-OE1 3.79Å; R401-E405 PolarHBondContact NE-OE1 3.06Å; R401-E405 IonicContact NH2-OE1 3.24Å; R401-E405 WeakPolarHBondContact O-CG 3.3Å; R401-E405 PolarHBondContact O-N 2.81Å |
| 402 | S | 96.6 | Very high | 85.1 | Confident | 29 Ų | 29 | 70.2 Ų | 70.2 | 20% | 0.203 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 179.3 | 62 | 0 | 0 | 0 | 0 | 112.3 | T399 I400 E405 V406 | T399-S402 PolarHBondContact O-N 3.1Å; T399-S402 PolarHBondContact O-OG 2.89Å; T399-S402 WeakPolarHBondContact OG1-CB 3.26Å; T399-S402 PolarHBondContact OG1-N 2.87Å; T399-S402 VanDerWaalsContact OG1-N 3.12Å; T399-S402 PolarHBondContact OG1-OG 2.8Å; I400-S402 PolarHBondContact O-N 3.2Å; S402-E405 PolarHBondContact O-N 3.27Å; S402-V406 WeakPolarHBondContact O-CG2 3.42Å; S402-V406 PolarHBondContact O-N 3.03Å |
| 403 | A | 96.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L349 L352 L377 T399 I400 R401 E405 V406 V407 | L349-A403 HydrophobicContact CD2-CB 4.1Å; L352-A403 HydrophobicContact CD1-CB 3.9Å; L377-A403 HydrophobicContact CD1-CB 3.63Å; L377-A403 HydrophobicContact CD2-CB 3.6Å; L377-A403 HydrophobicContact CG-CB 4.29Å; T399-A403 PolarHBondContact O-N 2.81Å; I400-A403 PolarHBondContact O-N 3.35Å; R401-A403 VanDerWaalsContact C-N 3.31Å; R401-A403 PolarHBondContact O-N 2.86Å; A403-E405 VanDerWaalsContact C-N 3.34Å; A403-E405 PolarHBondContact O-N 3.41Å; A403-V406 PolarHBondContact O-N 3.41Å; A403-V407 WeakPolarHBondContact O-CG2 3.44Å; A403-V407 PolarHBondContact O-N 3.04Å |
| 404 | L | 98.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 176.9 | -63.9 | 176.3 | 0 | 0 | 0 | 112 | L365 I400 R401 V406 V407 N408 L421 H438 L439 V442 F443 | L365-L404 HydrophobicContact CD1-CD2 4.34Å; I400-L404 HydrophobicContact CD1-CD2 4.37Å; I400-L404 HydrophobicContact CD1-CG 4.21Å; I400-L404 HydrophobicContact CG1-CD1 4.08Å; I400-L404 HydrophobicContact CG1-CG 4.18Å; I400-L404 VanDerWaalsContact O-CG 3.26Å; I400-L404 WeakPolarHBondContact O-CG 3.38Å; I400-L404 PolarHBondContact O-N 2.81Å; R401-L404 PolarHBondContact O-N 2.75Å; L404-V406 VanDerWaalsContact C-N 3.35Å; L404-V407 PolarHBondContact O-N 2.91Å; L404-N408 WeakPolarHBondContact O-CB 3.17Å; L404-N408 PolarHBondContact O-N 3.27Å; L404-L421 HydrophobicContact CD2-CD2 3.82Å; L404-H438 HydrophobicContact CD1-CB 3.95Å; L404-L439 HydrophobicContact CD1-CD2 3.84Å; L404-L439 HydrophobicContact CD1-CG 4Å; L404-L439 HydrophobicContact CD2-CD2 3.66Å; L404-L439 HydrophobicContact CG-CD2 4.43Å; L404-V442 HydrophobicContact CB-CB 4.24Å; L404-V442 HydrophobicContact CB-CG1 3.94Å; L404-V442 HydrophobicContact CB-CG2 4.4Å; L404-V442 WeakPolarHBondContact O-CG1 3.47Å; L404-F443 HydrophobicContact CB-CE1 4.44Å; L404-F443 HydrophobicContact CB-CZ 4.23Å; L404-F443 HydrophobicContact CD2-CE1 4.49Å; L404-F443 HydrophobicContact CD2-CE2 3.69Å; L404-F443 HydrophobicContact CD2-CZ 3.51Å; L404-F443 HydrophobicContact CG-CZ 4.42Å; L404-F443 WeakPolarHBondContact O-CE1 3.42Å |
| 405 | E | 98.3 | Very high | 92.9 | Very high | 87 Ų | 87 | 53 Ų | 53 | 41% | 0.407 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 176.4 | -74.2 | 171.5 | -179 | 0 | 0 | 111.2 | R401 S402 A403 N408 K409 V442 | R401-E405 IonicContact CZ-OE1 2.77Å; R401-E405 IonicContact NE-OE1 3.79Å; R401-E405 PolarHBondContact NE-OE1 3.06Å; R401-E405 IonicContact NH2-OE1 3.24Å; R401-E405 WeakPolarHBondContact O-CG 3.3Å; R401-E405 PolarHBondContact O-N 2.81Å; S402-E405 PolarHBondContact O-N 3.27Å; A403-E405 VanDerWaalsContact C-N 3.34Å; A403-E405 PolarHBondContact O-N 3.41Å; E405-N408 PolarHBondContact O-N 3.32Å; E405-K409 WeakPolarHBondContact O-CB 3.45Å; E405-K409 PolarHBondContact O-N 3.06Å; E405-V442 HydrophobicContact CG-CG1 4.1Å; E405-V442 HydrophobicContact CG-CG2 4.16Å |
| 406 | V | 98.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 51.8 Ų | 51.8 | 13% | 0.127 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -49.9 | 172.2 | 167.6 | 0 | 0 | 0 | 0 | 111 | L349 L352 I353 S402 A403 L404 N408 K409 Y410 | L349-V406 HydrophobicContact CB-CG2 4.22Å; L349-V406 HydrophobicContact CD1-CG2 4Å; L349-V406 HydrophobicContact CD2-CG2 4.13Å; L349-V406 HydrophobicContact CG-CG2 4.35Å; L352-V406 HydrophobicContact CB-CG1 4.28Å; I353-V406 HydrophobicContact CD1-CG1 4.21Å; I353-V406 HydrophobicContact CG1-CG1 3.48Å; I353-V406 VanDerWaalsContact CG1-CG1 3.48Å; S402-V406 WeakPolarHBondContact O-CG2 3.42Å; S402-V406 PolarHBondContact O-N 3.03Å; A403-V406 PolarHBondContact O-N 3.41Å; L404-V406 VanDerWaalsContact C-N 3.35Å; V406-N408 VanDerWaalsContact C-N 3.29Å; V406-N408 PolarHBondContact O-N 3.24Å; V406-K409 PolarHBondContact O-N 2.76Å; V406-K409 VanDerWaalsContact O-N 3.12Å; V406-Y410 HydrophobicContact CG1-CD2 4.07Å; V406-Y410 VanDerWaalsContact O-CD2 3.31Å; V406-Y410 WeakPolarHBondContact O-CD2 3.44Å; V406-Y410 PolarHBondContact O-N 3.48Å |
| 407 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.7 | -46.1 | 177.9 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | L356 L363 A403 L404 K409 Y410 A411 L419 F443 I474 | L356-V407 HydrophobicContact CD1-CG2 4.45Å; L363-V407 HydrophobicContact CD1-CG2 3.9Å; A403-V407 WeakPolarHBondContact O-CG2 3.44Å; A403-V407 PolarHBondContact O-N 3.04Å; L404-V407 PolarHBondContact O-N 2.91Å; V407-K409 VanDerWaalsContact C-N 3.29Å; V407-K409 PolarHBondContact O-N 3.48Å; V407-Y410 PolarHBondContact O-N 2.76Å; V407-A411 WeakPolarHBondContact O-CA 2.97Å; V407-A411 WeakPolarHBondContact O-CB 3.45Å; V407-A411 PolarHBondContact O-N 2.72Å; V407-L419 HydrophobicContact CG1-CD2 3.51Å; V407-F443 HydrophobicContact CB-CE1 4.2Å; V407-F443 HydrophobicContact CB-CZ 4.21Å; V407-F443 HydrophobicContact CG1-CE1 3.92Å; V407-F443 HydrophobicContact CG1-CZ 3.84Å; V407-I474 HydrophobicContact CG1-CD1 4.47Å |
| 408 | N | 98.1 | Very high | 96.9 | Very high | 38 Ų | 38 | 43 Ų | 43 | 20% | 0.203 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.8 | -37.1 | 179.7 | -169.3 | 35 | 0 | 0 | 0 | 112.6 | L404 E405 V406 V442 F443 R446 | L404-N408 WeakPolarHBondContact O-CB 3.17Å; L404-N408 PolarHBondContact O-N 3.27Å; E405-N408 PolarHBondContact O-N 3.32Å; V406-N408 VanDerWaalsContact C-N 3.29Å; V406-N408 PolarHBondContact O-N 3.24Å; N408-V442 HydrophobicContact CB-CG1 3.95Å; N408-V442 PolarHBondContact ND2-O 3.11Å; N408-F443 HydrophobicContact CB-CD1 3.8Å; N408-F443 HydrophobicContact CB-CE1 3.87Å; N408-R446 PolarHBondContact O-NH1 2.94Å; N408-R446 VanDerWaalsContact OD1-CD 3.28Å; N408-R446 WeakPolarHBondContact OD1-CD 3.37Å; N408-R446 PolarHBondContact OD1-NH1 2.85Å |
| 409 | K | 98 | Very high | 97.3 | Very high | 153 Ų | 153 | 42.2 Ų | 42.2 | 67% | 0.665 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -68.7 | -40.8 | 179 | -176.1 | 176 | 175.4 | -170.2 | 0 | 112.4 | E405 V406 V407 | E405-K409 WeakPolarHBondContact O-CB 3.45Å; E405-K409 PolarHBondContact O-N 3.06Å; V406-K409 PolarHBondContact O-N 2.76Å; V406-K409 VanDerWaalsContact O-N 3.12Å; V407-K409 VanDerWaalsContact C-N 3.29Å; V407-K409 PolarHBondContact O-N 3.48Å |
| 410 | Y | 98.1 | Very high | 97.5 | Very high | 44 Ų | 44 | 40.4 Ų | 40.4 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -105.6 | -12.4 | -170.4 | -67.4 | -85.5 | 0 | 0 | 0 | 114.8 | I353 Q357 V406 V407 F412 L413 | I353-Y410 HydrophobicContact CD1-CE2 4.07Å; I353-Y410 HydrophobicContact CG1-CD2 4.03Å; I353-Y410 HydrophobicContact CG1-CE2 3.89Å; I353-Y410 HydrophobicContact CG2-CD1 4.24Å; I353-Y410 HydrophobicContact CG2-CE1 4.03Å; I353-Y410 HydrophobicContact CG2-CE2 4.36Å; Q357-Y410 HydrophobicContact CG-CD1 4.47Å; V406-Y410 HydrophobicContact CG1-CD2 4.07Å; V406-Y410 VanDerWaalsContact O-CD2 3.31Å; V406-Y410 WeakPolarHBondContact O-CD2 3.44Å; V406-Y410 PolarHBondContact O-N 3.48Å; V407-Y410 PolarHBondContact O-N 2.76Å; Y410-F412 PolarHBondContact O-N 2.84Å; Y410-L413 HydrophobicContact CD1-CD2 3.78Å; Y410-L413 HydrophobicContact CE1-CD2 4.21Å; Y410-L413 PolarHBondContact O-N 3.02Å; Y410-L413 VanDerWaalsContact O-N 3.14Å |
| 411 | A | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -40.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R361 V407 L419 I474 | R361-A411 PolarHBondContact NH1-O 2.73Å; R361-A411 PolarHBondContact NH2-O 2.73Å; V407-A411 WeakPolarHBondContact O-CA 2.97Å; V407-A411 WeakPolarHBondContact O-CB 3.45Å; V407-A411 PolarHBondContact O-N 2.72Å; A411-L419 HydrophobicContact CB-CD2 3.7Å; A411-I474 HydrophobicContact CB-CD1 4.27Å |
| 412 | F | 97.8 | Very high | 97.6 | Very high | 44 Ų | 44 | 36 Ų | 36 | 19% | 0.193 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 21.4 | -174.6 | -51 | -70.4 | 0 | 0 | 0 | 114.3 | Y410 S415 Y417 G472 I474 | Y410-F412 PolarHBondContact O-N 2.84Å; F412-S415 WeakPolarHBondContact CA-O 3.31Å; F412-Y417 WeakPolarHBondContact CE1-O 3.31Å; F412-G472 WeakPolarHBondContact CE2-O 3.38Å; F412-G472 VanDerWaalsContact CZ-O 3.32Å; F412-G472 WeakPolarHBondContact CZ-O 3.36Å; F412-I474 HydrophobicContact CE2-CD1 4.34Å; F412-I474 HydrophobicContact CE2-CG1 4.02Å; F412-I474 HydrophobicContact CZ-CG1 3.8Å |
| 413 | L | 96.2 | Very high | 97.5 | Very high | 108 Ų | 108 | 34.9 Ų | 34.9 | 57% | 0.565 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -68.9 | -45.2 | -179 | -178.8 | 64.3 | 0 | 0 | 0 | 112.1 | Q357 Y410 | Q357-L413 HydrophobicContact CG-CD2 4.43Å; Y410-L413 HydrophobicContact CD1-CD2 3.78Å; Y410-L413 HydrophobicContact CE1-CD2 4.21Å; Y410-L413 PolarHBondContact O-N 3.02Å; Y410-L413 VanDerWaalsContact O-N 3.14Å |
| 414 | T | 95.1 | Very high | 97.1 | Very high | 62 Ų | 62 | 35.1 Ų | 35.1 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -108 | -17 | -174.5 | 53.5 | 0 | 0 | 0 | 0 | 113.3 | L356 Q357 | L356-T414 PolarHBondContact O-OG1 3.15Å; Q357-T414 WeakPolarHBondContact O-CG2 3.25Å |
| 415 | S | 97.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | trans | -145.8 | 134.1 | 178.8 | 174 | 0 | 0 | 0 | 0 | 110.7 | R361 F412 Y417 S667 | R361-S415 PolarHBondContact NH1-O 3Å; F412-S415 WeakPolarHBondContact CA-O 3.31Å; S415-Y417 VanDerWaalsContact C-N 3.33Å; S415-Y417 PolarHBondContact OG-N 3.14Å; S415-S667 WeakPolarHBondContact CB-O 3.29Å; S415-S667 PolarHBondContact OG-O 3.23Å | ||
| 416 | Q | 97.1 | Very high | 96 | Very high | 133 Ų | 133 | 34.4 Ų | 34.4 | 62% | 0.621 | 16% | 0.164 | S | C | * | . | trans | -85 | -9.1 | 178.3 | -60 | 179.4 | 18.4 | 0 | 0 | 113 | K471 G472 | Q416-K471 CarbonylContact O-C 3.59Å; Q416-K471 WeakPolarHBondContact O-CA 3.2Å; Q416-G472 PolarHBondContact O-N 3.49Å | ||
| 417 | Y | 98.4 | Very high | 95.5 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 6% | 0.055 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -76.7 | 157.1 | -176.2 | -66.9 | -71.1 | 0 | 0 | 0 | 111.8 | V317 M321 R361 F412 S415 P467 K471 Y669 | V317-Y417 HydrophobicContact CG1-CE2 4.37Å; V317-Y417 WeakPolarHBondContact CG1-OH 3.44Å; V317-Y417 HydrophobicContact CG2-CE2 3.81Å; M321-Y417 HydrophobicContact CB-CE1 3.79Å; M321-Y417 HydrophobicContact CE-CD1 3.68Å; M321-Y417 HydrophobicContact CE-CD2 3.99Å; M321-Y417 HydrophobicContact CE-CE1 3.51Å; M321-Y417 HydrophobicContact CE-CE2 3.82Å; M321-Y417 HydrophobicContact CE-CG 3.92Å; M321-Y417 HydrophobicContact CG-CE1 3.85Å; M321-Y417 WeakPolarHBondContact CG-OH 3.38Å; R361-Y417 PolarHBondContact NH1-O 3.45Å; F412-Y417 WeakPolarHBondContact CE1-O 3.31Å; S415-Y417 VanDerWaalsContact C-N 3.33Å; S415-Y417 PolarHBondContact OG-N 3.14Å; Y417-P467 HydrophobicContact CD1-CB 3.66Å; Y417-P467 HydrophobicContact CE1-CB 4.28Å; Y417-P467 HydrophobicContact CG-CB 4.42Å; Y417-K471 HydrophobicContact CD1-CG 4.09Å; Y417-K471 HydrophobicContact CE1-CD 4.38Å; Y417-K471 HydrophobicContact CE1-CG 4.25Å; Y417-Y669 HydrophobicContact CG-CD2 4.19Å |
| 418 | P | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | trans | -51.7 | 147.2 | -173.2 | 18.1 | -34.2 | 0 | 0 | 0 | 113.8 | P467 L470 R473 L475 Y669 | P418-P467 VanDerWaalsContact CD-O 3.22Å; P418-P467 WeakPolarHBondContact CD-O 3.45Å; P418-L470 HydrophobicContact CB-CB 3.8Å; P418-L470 HydrophobicContact CG-CB 3.73Å; P418-L470 HydrophobicContact CG-CD1 4.47Å; P418-R473 VanDerWaalsContact CA-O 3.29Å; P418-R473 WeakPolarHBondContact CA-O 3.47Å; P418-L475 HydrophobicContact CB-CD1 3.89Å; P418-Y669 HydrophobicContact CG-CE2 4.35Å; P418-Y669 WeakPolarHBondContact O-CE2 3.41Å; P418-Y669 PolarHBondContact O-OH 3.11Å | ||
| 419 | L | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.1 | 172.1 | -178.4 | 70.2 | 0 | 0 | 0 | 109.5 | L356 L363 V407 A411 R473 I474 L475 | L356-L419 HydrophobicContact CD2-CD1 3.82Å; L356-L419 HydrophobicContact CD2-CD2 4.08Å; L363-L419 HydrophobicContact CD1-CD2 4.44Å; L363-L419 HydrophobicContact CG-CD1 4.33Å; V407-L419 HydrophobicContact CG1-CD2 3.51Å; A411-L419 HydrophobicContact CB-CD2 3.7Å; L419-R473 PolarHBondContact N-O 3.14Å; L419-I474 HydrophobicContact CB-CG1 4.37Å; L419-I474 CarbonylContact O-C 3.56Å; L419-I474 WeakPolarHBondContact O-CA 3.4Å; L419-L475 PolarHBondContact O-N 3.43Å |
| 420 | L | 98.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.3 | 172.2 | -66.5 | 155.4 | 0 | 0 | 0 | 109.2 | I330 R361 C362 L363 L475 V477 I545 L642 | I330-L420 HydrophobicContact CD1-CD1 4.07Å; I330-L420 HydrophobicContact CG2-CD1 4.31Å; R361-L420 PolarHBondContact O-N 3.18Å; C362-L420 CarbonylContact C-O 3.58Å; C362-L420 VanDerWaalsContact CA-O 3.27Å; C362-L420 WeakPolarHBondContact CA-O 3.44Å; C362-L420 HydrophobicContact CB-CB 3.96Å; C362-L420 HydrophobicContact CB-CD1 4.36Å; L363-L420 PolarHBondContact N-O 2.97Å; L420-L475 HydrophobicContact CD2-CB 4.04Å; L420-V477 HydrophobicContact CB-CG2 4.23Å; L420-V477 HydrophobicContact CD2-CG2 3.74Å; L420-I545 HydrophobicContact CD2-CD1 3.51Å; L420-L642 HydrophobicContact CD1-CD2 3.8Å |
| 421 | L | 97.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 101.8 | 174.7 | -166.1 | 66 | 0 | 0 | 0 | 109.2 | L363 L365 L404 L423 L439 F443 I474 L475 L476 V477 | L363-L421 HydrophobicContact CB-CD1 4.12Å; L365-L421 HydrophobicContact CD1-CD1 3.71Å; L365-L421 HydrophobicContact CD1-CD2 4.17Å; L365-L421 HydrophobicContact CD1-CG 4.21Å; L365-L421 HydrophobicContact CG-CD1 3.84Å; L404-L421 HydrophobicContact CD2-CD2 3.82Å; L421-L423 PolarHBondContact O-N 3.3Å; L421-L439 HydrophobicContact CD2-CD2 4.18Å; L421-F443 HydrophobicContact CD2-CE2 3.84Å; L421-F443 HydrophobicContact CD2-CZ 4.09Å; L421-I474 HydrophobicContact CB-CG2 4.25Å; L421-L475 PolarHBondContact N-O 2.66Å; L421-L476 HydrophobicContact CB-CD1 4.45Å; L421-L476 HydrophobicContact CD2-CD1 4.4Å; L421-V477 PolarHBondContact O-N 3.14Å |
| 422 | Y | 96.4 | Very high | 94.5 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 6% | 0.055 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 94.7 | 179.8 | -165.9 | -88.2 | 0 | 0 | 0 | 110.2 | L363 E364 L365 C424 V477 R547 M588 S590 | L363-Y422 PolarHBondContact O-N 2.96Å; E364-Y422 WeakPolarHBondContact CA-O 3.49Å; E364-Y422 HydrophobicContact CB-CD1 4.25Å; E364-Y422 HydrophobicContact CG-CD1 3.93Å; L365-Y422 PolarHBondContact N-O 3.14Å; Y422-C424 WeakPolarHBondContact CE1-SG 3.29Å; Y422-V477 HydrophobicContact CD2-CB 3.91Å; Y422-V477 HydrophobicContact CD2-CG1 3.62Å; Y422-V477 HydrophobicContact CE2-CG1 3.91Å; Y422-R547 HydrophobicContact CE2-CG 4.09Å; Y422-R547 VanDerWaalsContact CZ-CZ 3.42Å; Y422-M588 HydrophobicContact CD2-SD 4.36Å; Y422-M588 HydrophobicContact CE2-SD 4.28Å; Y422-S590 PolarHBondContact OH-OG 3.23Å |
| 423 | L | 93.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 100.8 | -175 | -178.3 | 67.3 | 0 | 0 | 0 | 114.5 | L365 V367 L421 M435 L439 L476 V477 L539 R547 | L365-L423 HydrophobicContact CB-CD1 4.4Å; V367-L423 HydrophobicContact CG2-CD1 3.61Å; L421-L423 PolarHBondContact O-N 3.3Å; L423-M435 HydrophobicContact CD1-SD 3.82Å; L423-M435 HydrophobicContact CD2-CE 3.83Å; L423-M435 HydrophobicContact CD2-SD 3.9Å; L423-M435 HydrophobicContact CG-SD 4.38Å; L423-L439 HydrophobicContact CD2-CD1 4.42Å; L423-L476 HydrophobicContact CB-CD1 3.7Å; L423-L476 HydrophobicContact CD2-CD1 3.97Å; L423-L476 HydrophobicContact CD2-CD2 4.43Å; L423-L476 HydrophobicContact CG-CD1 4.46Å; L423-V477 PolarHBondContact N-O 3.23Å; L423-L539 HydrophobicContact CD2-CD1 3.97Å; L423-R547 PolarHBondContact O-NH1 3.21Å; L423-R547 PolarHBondContact O-NH2 3.03Å |
| 424 | C | 88.9 | Confident | 94.4 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.034 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.6 | 171.5 | -65.2 | 0 | 0 | 0 | 0 | 109 | E364 L365 G366 V367 Y422 I499 R547 | E364-C424 PolarHBondContact OE1-SG 3.46Å; E364-C424 VanDerWaalsContact OE1-SG 3.41Å; L365-C424 PolarHBondContact O-N 3.06Å; L365-C424 VanDerWaalsContact O-O 3.11Å; G366-C424 CarbonylContact C-O 3.57Å; G366-C424 WeakPolarHBondContact CA-O 2.79Å; V367-C424 PolarHBondContact N-O 2.93Å; Y422-C424 WeakPolarHBondContact CE1-SG 3.29Å; C424-I499 HydrophobicContact CB-CD1 3.75Å; C424-R547 PolarHBondContact SG-NH1 3Å |
| 425 | H | 89.1 | Confident | 94.5 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 149.6 | -179.3 | 72.2 | 88.2 | 0 | 0 | 0 | 113.9 | V367 Q432 M435 L539 | V367-H425 HydrophobicContact CB-CB 4.07Å; V367-H425 WeakPolarHBondContact O-CA 3.39Å; H425-Q432 VanDerWaalsContact CE1-CD 3.47Å; H425-M435 HydrophobicContact CB-CE 4.13Å; H425-L539 WeakPolarHBondContact NE2-CD2 3.13Å |
| 426 | R | 85.1 | Confident | 94.5 | Very high | 66 Ų | 66 | 27 Ų | 27 | 25% | 0.249 | 14% | 0.142 | C | C | . | . | trans | -125.7 | 30.9 | 167 | -68.6 | -164.6 | -54.1 | -66.9 | -22.4 | 112.6 | V367 D380 | V367-R426 PolarHBondContact O-N 3.31Å; D380-R426 IonicContact OD1-CZ 2.84Å; D380-R426 IonicContact OD1-NH1 3.14Å; D380-R426 PolarHBondContact OD1-NH1 2.82Å; D380-R426 IonicContact OD1-NH2 3.7Å; D380-R426 PolarHBondContact OD1-NH2 2.67Å; D380-R426 IonicContact OD2-NH1 3.7Å | ||
| 427 | C | 88.2 | Confident | 94.5 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.027 | 14% | 0.135 | C | C | . | . | trans | -69 | 149.8 | 179.7 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | T368 D369 Q431 Q432 | T368-C427 VanDerWaalsContact C-SG 3.51Å; D369-C427 WeakPolarHBondContact OD1-CA 3.22Å; D369-C427 WeakPolarHBondContact OD1-CB 3.41Å; C427-Q431 HydrophobicContact CB-CB 4.03Å; C427-Q432 HydrophobicContact CB-CG 3.92Å; C427-Q432 PolarHBondContact O-NE2 2.68Å | ||
| 428 | S | 91.4 | Very high | 94.5 | Very high | 45 Ų | 45 | 25.6 Ų | 25.6 | 32% | 0.315 | 14% | 0.135 | S | C | . | . | trans | -60.9 | 154.3 | 166.8 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | D369 G430 Q431 Q432 | D369-S428 VanDerWaalsContact CG-N 3.29Å; D369-S428 PolarHBondContact OD1-N 2.86Å; D369-S428 PolarHBondContact OD1-OG 3Å; D369-S428 WeakPolarHBondContact OD2-CB 3.41Å; D369-S428 PolarHBondContact OD2-N 3.34Å; D369-S428 PolarHBondContact OD2-OG 3.19Å; S428-G430 PolarHBondContact O-N 3.26Å; S428-G430 VanDerWaalsContact O-N 3.11Å; S428-Q431 PolarHBondContact O-N 3.12Å; S428-Q432 WeakPolarHBondContact O-CG 3.33Å; S428-Q432 PolarHBondContact O-N 3.32Å | ||
| 429 | P | 92 | Very high | 94.5 | Very high | 42 Ų | 42 | 25.7 Ų | 25.7 | 27% | 0.273 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -53.3 | -35.2 | 179.6 | -29.5 | 36.2 | 0 | 0 | 0 | 114.1 | Q432 R433 H536 | P429-Q432 PolarHBondContact O-N 2.98Å; P429-R433 PolarHBondContact O-N 2.98Å; P429-R433 VanDerWaalsContact O-N 3.08Å; P429-H536 HydrophobicContact CB-CB 4.49Å |
| 430 | G | 93.8 | Very high | 94.4 | Very high | 44 Ų | 44 | 30.1 Ų | 30.1 | 45% | 0.454 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S428 R433 T434 | S428-G430 PolarHBondContact O-N 3.26Å; S428-G430 VanDerWaalsContact O-N 3.11Å; G430-R433 WeakPolarHBondContact O-CB 3.32Å; G430-R433 PolarHBondContact O-N 3.26Å; G430-T434 PolarHBondContact O-N 3.38Å; G430-T434 PolarHBondContact O-OG1 2.91Å |
| 431 | Q | 94.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -75.1 | -27.2 | 177.5 | -69.9 | -154.3 | 35.1 | 0 | 0 | 112.9 | D369 G370 E374 P375 C427 S428 R433 T434 M435 | D369-Q431 VanDerWaalsContact OD1-CB 3.26Å; D369-Q431 WeakPolarHBondContact OD1-CB 3.35Å; D369-Q431 VanDerWaalsContact OD1-CD 3.25Å; D369-Q431 WeakPolarHBondContact OD1-CG 3.15Å; D369-Q431 PolarHBondContact OD1-OE1 3.33Å; G370-Q431 PolarHBondContact O-NE2 3.1Å; E374-Q431 PolarHBondContact O-OE1 2.98Å; P375-Q431 VanDerWaalsContact CA-OE1 3.32Å; P375-Q431 HydrophobicContact CG-CB 4.17Å; C427-Q431 HydrophobicContact CB-CB 4.03Å; S428-Q431 PolarHBondContact O-N 3.12Å; Q431-R433 VanDerWaalsContact C-N 3.31Å; Q431-R433 PolarHBondContact O-N 3.22Å; Q431-T434 WeakPolarHBondContact O-CB 3.45Å; Q431-T434 PolarHBondContact O-N 3.44Å; Q431-M435 WeakPolarHBondContact O-CB 3.29Å; Q431-M435 PolarHBondContact O-N 3.43Å |
| 432 | Q | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -38.7 | 168.6 | -68.6 | -179.8 | 35.4 | 0 | 0 | 111.9 | H425 C427 S428 P429 M435 A436 S534 H536 L539 | H425-Q432 VanDerWaalsContact CE1-CD 3.47Å; C427-Q432 HydrophobicContact CB-CG 3.92Å; C427-Q432 PolarHBondContact O-NE2 2.68Å; S428-Q432 WeakPolarHBondContact O-CG 3.33Å; S428-Q432 PolarHBondContact O-N 3.32Å; P429-Q432 PolarHBondContact O-N 2.98Å; Q432-M435 PolarHBondContact O-N 3.19Å; Q432-A436 WeakPolarHBondContact O-CB 3.37Å; Q432-A436 PolarHBondContact O-N 3.4Å; Q432-S534 PolarHBondContact NE2-O 3.45Å; Q432-H536 HydrophobicContact CB-CB 3.99Å; Q432-L539 HydrophobicContact CB-CD2 4Å; Q432-L539 HydrophobicContact CG-CD2 4.03Å |
| 433 | R | 96.1 | Very high | 94.4 | Very high | 124 Ų | 124 | 37 Ų | 37 | 47% | 0.468 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 172.5 | -171.3 | -176 | -60.7 | 156.7 | 1.7 | 111.8 | P429 G430 Q431 M435 A436 H437 H536 E538 | P429-R433 PolarHBondContact O-N 2.98Å; P429-R433 VanDerWaalsContact O-N 3.08Å; G430-R433 WeakPolarHBondContact O-CB 3.32Å; G430-R433 PolarHBondContact O-N 3.26Å; Q431-R433 VanDerWaalsContact C-N 3.31Å; Q431-R433 PolarHBondContact O-N 3.22Å; R433-M435 VanDerWaalsContact C-N 3.32Å; R433-M435 PolarHBondContact O-N 3.03Å; R433-A436 PolarHBondContact O-N 3.25Å; R433-H437 PolarHBondContact O-N 3.36Å; R433-H536 PolarHBondContact NE-NE2 2.8Å; R433-H536 PolarHBondContact NH2-NE2 2.9Å; R433-E538 IonicContact NE-OE1 4Å |
| 434 | T | 97.1 | Very high | 94.5 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 27% | 0.27 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.6 | -45.4 | 173.8 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | G430 Q431 H437 H438 | G430-T434 PolarHBondContact O-N 3.38Å; G430-T434 PolarHBondContact O-OG1 2.91Å; Q431-T434 WeakPolarHBondContact O-CB 3.45Å; Q431-T434 PolarHBondContact O-N 3.44Å; T434-H437 WeakPolarHBondContact O-CB 3.02Å; T434-H437 PolarHBondContact O-N 3.45Å; T434-H438 WeakPolarHBondContact CG2-NE2 3.38Å; T434-H438 PolarHBondContact O-CD2 3.32Å; T434-H438 PolarHBondContact O-N 2.89Å |
| 435 | M | 96.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 177.3 | -175.1 | 167 | 55.7 | 0 | 0 | 112.4 | V367 P375 I400 L423 H425 Q431 Q432 R433 H437 H438 L439 L539 | V367-M435 HydrophobicContact CB-SD 4.31Å; V367-M435 HydrophobicContact CG1-SD 4.03Å; V367-M435 HydrophobicContact CG2-SD 4.24Å; P375-M435 HydrophobicContact CG-CB 4.15Å; I400-M435 HydrophobicContact CG1-CG 4.17Å; I400-M435 HydrophobicContact CG1-SD 4.28Å; L423-M435 HydrophobicContact CD1-SD 3.82Å; L423-M435 HydrophobicContact CD2-CE 3.83Å; L423-M435 HydrophobicContact CD2-SD 3.9Å; L423-M435 HydrophobicContact CG-SD 4.38Å; H425-M435 HydrophobicContact CB-CE 4.13Å; Q431-M435 WeakPolarHBondContact O-CB 3.29Å; Q431-M435 PolarHBondContact O-N 3.43Å; Q432-M435 PolarHBondContact O-N 3.19Å; R433-M435 VanDerWaalsContact C-N 3.32Å; R433-M435 PolarHBondContact O-N 3.03Å; M435-H437 VanDerWaalsContact C-N 3.3Å; M435-H437 PolarHBondContact O-N 3.39Å; M435-H438 PolarHBondContact O-N 2.82Å; M435-L439 HydrophobicContact CG-CD1 4.23Å; M435-L439 WeakPolarHBondContact O-CG 3.31Å; M435-L439 PolarHBondContact O-N 3.19Å; M435-L539 HydrophobicContact CE-CD1 3.97Å; M435-L539 HydrophobicContact CE-CD2 3.36Å; M435-L539 HydrophobicContact CE-CG 4.32Å |
| 436 | A | 97 | Very high | 95 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61 | -39.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q432 R433 K440 E538 L539 L542 | Q432-A436 WeakPolarHBondContact O-CB 3.37Å; Q432-A436 PolarHBondContact O-N 3.4Å; R433-A436 PolarHBondContact O-N 3.25Å; A436-K440 WeakPolarHBondContact O-CG 3.37Å; A436-K440 PolarHBondContact O-N 2.9Å; A436-K440 VanDerWaalsContact O-N 3.1Å; A436-E538 HydrophobicContact CB-CB 4.23Å; A436-L539 HydrophobicContact CB-CB 4.31Å; A436-L539 HydrophobicContact CB-CD1 4.35Å; A436-L542 HydrophobicContact CB-CD1 4.01Å |
| 437 | H | 97.4 | Very high | 95.5 | Very high | 104 Ų | 104 | 45.3 Ų | 45.3 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 173.3 | -179 | 81.5 | 0 | 0 | 0 | 111.8 | R433 T434 M435 L439 K440 K441 | R433-H437 PolarHBondContact O-N 3.36Å; T434-H437 WeakPolarHBondContact O-CB 3.02Å; T434-H437 PolarHBondContact O-N 3.45Å; M435-H437 VanDerWaalsContact C-N 3.3Å; M435-H437 PolarHBondContact O-N 3.39Å; H437-L439 PolarHBondContact O-N 3.36Å; H437-K440 PolarHBondContact O-N 3.43Å; H437-K441 VanDerWaalsContact O-CB 3.24Å; H437-K441 WeakPolarHBondContact O-CB 3.29Å; H437-K441 PolarHBondContact O-N 2.93Å |
| 438 | H | 98.2 | Very high | 95.8 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 6% | 0.06 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.9 | -68.6 | -36.2 | 0 | 0 | 0 | 112.1 | E374 L404 T434 M435 K440 K441 V442 | E374-H438 IonicContact OE1-CD2 3.08Å; E374-H438 IonicContact OE1-NE2 2.65Å; E374-H438 PolarHBondContact OE1-NE2 3.05Å; E374-H438 VanDerWaalsContact OE1-NE2 3.16Å; E374-H438 IonicContact OE2-CD2 3.39Å; E374-H438 IonicContact OE2-CE1 3.96Å; E374-H438 IonicContact OE2-NE2 3.09Å; E374-H438 PolarHBondContact OE2-NE2 3.28Å; L404-H438 HydrophobicContact CD1-CB 3.95Å; T434-H438 WeakPolarHBondContact CG2-NE2 3.38Å; T434-H438 PolarHBondContact O-CD2 3.32Å; T434-H438 PolarHBondContact O-N 2.89Å; M435-H438 PolarHBondContact O-N 2.82Å; H438-K440 PolarHBondContact O-N 3.31Å; H438-K441 PolarHBondContact O-N 3.34Å; H438-V442 VanDerWaalsContact O-CB 3.27Å; H438-V442 WeakPolarHBondContact O-CB 3.12Å; H438-V442 VanDerWaalsContact O-CG2 3.25Å; H438-V442 WeakPolarHBondContact O-CG2 3.22Å; H438-V442 PolarHBondContact O-N 2.67Å |
| 439 | L | 97.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.4 | -50.5 | 175.8 | -75.7 | 164.9 | 0 | 0 | 0 | 111.8 | L404 L421 L423 M435 H437 F443 L447 L476 L539 L542 | L404-L439 HydrophobicContact CD1-CD2 3.84Å; L404-L439 HydrophobicContact CD1-CG 4Å; L404-L439 HydrophobicContact CD2-CD2 3.66Å; L404-L439 HydrophobicContact CG-CD2 4.43Å; L421-L439 HydrophobicContact CD2-CD2 4.18Å; L423-L439 HydrophobicContact CD2-CD1 4.42Å; M435-L439 HydrophobicContact CG-CD1 4.23Å; M435-L439 WeakPolarHBondContact O-CG 3.31Å; M435-L439 PolarHBondContact O-N 3.19Å; H437-L439 PolarHBondContact O-N 3.36Å; L439-F443 HydrophobicContact CD2-CD2 4.09Å; L439-F443 HydrophobicContact CD2-CE2 3.71Å; L439-F443 WeakPolarHBondContact O-CB 3.3Å; L439-F443 PolarHBondContact O-N 2.54Å; L439-L447 HydrophobicContact CB-CD2 4.39Å; L439-L476 HydrophobicContact CD1-CD2 4.14Å; L439-L539 HydrophobicContact CD1-CD1 3.83Å; L439-L542 HydrophobicContact CB-CD1 4.02Å; L439-L542 HydrophobicContact CD1-CD1 4.17Å |
| 440 | K | 96.8 | Very high | 94.5 | Very high | 94 Ų | 94 | 44 Ų | 44 | 41% | 0.409 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 177.9 | -71.1 | 170.8 | -177.1 | 171.1 | 0 | 111.5 | A436 H437 H438 G444 E538 L542 | A436-K440 WeakPolarHBondContact O-CG 3.37Å; A436-K440 PolarHBondContact O-N 2.9Å; A436-K440 VanDerWaalsContact O-N 3.1Å; H437-K440 PolarHBondContact O-N 3.43Å; H438-K440 PolarHBondContact O-N 3.31Å; K440-G444 VanDerWaalsContact O-CA 3.3Å; K440-G444 WeakPolarHBondContact O-CA 3.16Å; K440-G444 PolarHBondContact O-N 2.82Å; K440-E538 IonicContact NZ-OE2 2.94Å; K440-L542 HydrophobicContact CD-CD2 4.4Å; K440-L542 HydrophobicContact CG-CD1 4.04Å; K440-L542 HydrophobicContact CG-CD2 3.97Å |
| 441 | K | 97.5 | Very high | 93.4 | Very high | 133 Ų | 133 | 49.3 Ų | 49.3 | 58% | 0.578 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -69.7 | -44.4 | -175 | -176 | 175.6 | -178.1 | 176.2 | 0 | 112.9 | H437 H438 | H437-K441 VanDerWaalsContact O-CB 3.24Å; H437-K441 WeakPolarHBondContact O-CB 3.29Å; H437-K441 PolarHBondContact O-N 2.93Å; H438-K441 PolarHBondContact O-N 3.34Å |
| 442 | V | 98.2 | Very high | 92.2 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -77.2 | -45.2 | -173.7 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | L404 E405 N408 H438 | L404-V442 HydrophobicContact CB-CB 4.24Å; L404-V442 HydrophobicContact CB-CG1 3.94Å; L404-V442 HydrophobicContact CB-CG2 4.4Å; L404-V442 WeakPolarHBondContact O-CG1 3.47Å; E405-V442 HydrophobicContact CG-CG1 4.1Å; E405-V442 HydrophobicContact CG-CG2 4.16Å; N408-V442 HydrophobicContact CB-CG1 3.95Å; N408-V442 PolarHBondContact ND2-O 3.11Å; H438-V442 VanDerWaalsContact O-CB 3.27Å; H438-V442 WeakPolarHBondContact O-CB 3.12Å; H438-V442 VanDerWaalsContact O-CG2 3.25Å; H438-V442 WeakPolarHBondContact O-CG2 3.22Å; H438-V442 PolarHBondContact O-N 2.67Å |
| 443 | F | 97.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -85.4 | -26.7 | -178.3 | -63.8 | -34.8 | 0 | 0 | 0 | 113.3 | L404 V407 N408 L421 L439 S445 R446 L447 I474 | L404-F443 HydrophobicContact CB-CE1 4.44Å; L404-F443 HydrophobicContact CB-CZ 4.23Å; L404-F443 HydrophobicContact CD2-CE1 4.49Å; L404-F443 HydrophobicContact CD2-CE2 3.69Å; L404-F443 HydrophobicContact CD2-CZ 3.51Å; L404-F443 HydrophobicContact CG-CZ 4.42Å; L404-F443 WeakPolarHBondContact O-CE1 3.42Å; V407-F443 HydrophobicContact CB-CE1 4.2Å; V407-F443 HydrophobicContact CB-CZ 4.21Å; V407-F443 HydrophobicContact CG1-CE1 3.92Å; V407-F443 HydrophobicContact CG1-CZ 3.84Å; N408-F443 HydrophobicContact CB-CD1 3.8Å; N408-F443 HydrophobicContact CB-CE1 3.87Å; L421-F443 HydrophobicContact CD2-CE2 3.84Å; L421-F443 HydrophobicContact CD2-CZ 4.09Å; L439-F443 HydrophobicContact CD2-CD2 4.09Å; L439-F443 HydrophobicContact CD2-CE2 3.71Å; L439-F443 WeakPolarHBondContact O-CB 3.3Å; L439-F443 PolarHBondContact O-N 2.54Å; F443-S445 PolarHBondContact O-N 3.21Å; F443-R446 VanDerWaalsContact O-CB 3.31Å; F443-R446 WeakPolarHBondContact O-CB 3.25Å; F443-R446 PolarHBondContact O-N 2.75Å; F443-L447 HydrophobicContact CB-CB 3.81Å; F443-L447 HydrophobicContact CD2-CD1 4.26Å; F443-I474 HydrophobicContact CD1-CD1 3.45Å; F443-I474 VanDerWaalsContact CD1-CD1 3.45Å; F443-I474 HydrophobicContact CD2-CD1 4.29Å; F443-I474 HydrophobicContact CD2-CG2 4.27Å; F443-I474 HydrophobicContact CE1-CD1 3.52Å; F443-I474 HydrophobicContact CE2-CD1 4.32Å; F443-I474 HydrophobicContact CE2-CG2 3.98Å; F443-I474 HydrophobicContact CG-CD1 3.87Å; F443-I474 HydrophobicContact CZ-CD1 3.96Å; F443-I474 HydrophobicContact CZ-CG2 4.3Å |
| 444 | G | 95.3 | Very high | 89.5 | Confident | 43 Ų | 43 | 57 Ų | 57 | 44% | 0.443 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | 51.6 | -125.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K440 R446 L447 | K440-G444 VanDerWaalsContact O-CA 3.3Å; K440-G444 WeakPolarHBondContact O-CA 3.16Å; K440-G444 PolarHBondContact O-N 2.82Å; G444-R446 PolarHBondContact O-N 2.94Å; G444-L447 PolarHBondContact O-N 3.48Å |
| 445 | S | 92.8 | Very high | 88.1 | Confident | 98 Ų | 98 | 55.6 Ų | 55.6 | 69% | 0.685 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -66.4 | -15.9 | 179.2 | 64.6 | 0 | 0 | 0 | 0 | 114.3 | F443 L447 R473 | F443-S445 PolarHBondContact O-N 3.21Å; S445-L447 VanDerWaalsContact C-N 3.34Å; S445-R473 PolarHBondContact O-NH1 2.81Å |
| 446 | R | 95.9 | Very high | 86.2 | Confident | 100 Ų | 100 | 59.8 Ų | 59.8 | 38% | 0.377 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -76.2 | -23.8 | 178.7 | -62.6 | 173.4 | 177 | -172.2 | -3.8 | 112.3 | N408 F443 G444 Y448 R473 I474 | N408-R446 PolarHBondContact O-NH1 2.94Å; N408-R446 VanDerWaalsContact OD1-CD 3.28Å; N408-R446 WeakPolarHBondContact OD1-CD 3.37Å; N408-R446 PolarHBondContact OD1-NH1 2.85Å; F443-R446 VanDerWaalsContact O-CB 3.31Å; F443-R446 WeakPolarHBondContact O-CB 3.25Å; F443-R446 PolarHBondContact O-N 2.75Å; G444-R446 PolarHBondContact O-N 2.94Å; R446-Y448 PolarHBondContact O-N 3.38Å; R446-R473 CarbonylContact O-C 3.47Å; R446-R473 WeakPolarHBondContact O-CA 3.42Å; R446-I474 HydrophobicContact CB-CD1 4.48Å; R446-I474 PolarHBondContact O-N 2.85Å |
| 447 | L | 96.3 | Very high | 84.3 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 9% | 0.089 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -70.5 | 121.4 | 174.3 | -176.9 | 59.6 | 0 | 0 | 0 | 109.3 | L439 F443 G444 S445 L542 | L439-L447 HydrophobicContact CB-CD2 4.39Å; F443-L447 HydrophobicContact CB-CB 3.81Å; F443-L447 HydrophobicContact CD2-CD1 4.26Å; G444-L447 PolarHBondContact O-N 3.48Å; S445-L447 VanDerWaalsContact C-N 3.34Å; L447-L542 HydrophobicContact CD2-CD1 4.35Å; L447-L542 HydrophobicContact CD2-CD2 3.92Å |
| 448 | Y | 93 | Very high | 81.8 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | trans | -83.1 | 128.4 | 175.1 | 176.3 | -91.3 | 0 | 0 | 0 | 110.4 | R446 P450 Q453 V455 L470 I474 L475 A544 W586 | R446-Y448 PolarHBondContact O-N 3.38Å; Y448-P450 HydrophobicContact CE1-CG 4.47Å; Y448-Q453 HydrophobicContact CD2-CB 4.29Å; Y448-Q453 HydrophobicContact CE2-CB 3.99Å; Y448-Q453 HydrophobicContact CE2-CG 4.48Å; Y448-Q453 WeakPolarHBondContact CE2-O 3.46Å; Y448-Q453 PolarHBondContact OH-O 2.78Å; Y448-V455 HydrophobicContact CE2-CG2 4.06Å; Y448-L470 HydrophobicContact CD2-CD2 3.95Å; Y448-L470 HydrophobicContact CE2-CD2 3.93Å; Y448-L470 HydrophobicContact CG-CD2 4.46Å; Y448-I474 PolarHBondContact N-O 3.01Å; Y448-L475 HydrophobicContact CD1-CD2 4.44Å; Y448-L475 HydrophobicContact CD1-CG 4.14Å; Y448-L475 HydrophobicContact CG-CG 4.3Å; Y448-A544 HydrophobicContact CD1-CB 3.72Å; Y448-A544 HydrophobicContact CE1-CB 4.12Å; Y448-W586 HydrophobicContact CD1-CZ3 4.28Å; Y448-W586 AromaticContact CE1-CH2 3.62Å; Y448-W586 HydrophobicContact CE1-CH2 3.62Å; Y448-W586 AromaticContact CE1-CZ3 3.51Å; Y448-W586 HydrophobicContact CE1-CZ3 3.51Å; Y448-W586 AromaticContact CZ-CH2 3.54Å; Y448-W586 AromaticContact CZ-CZ3 3.94Å; Y448-W586 WeakPolarHBondContact OH-CH2 3.48Å | ||
| 449 | T | 86 | Confident | 79.1 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 16% | 0.16 | 40% | 0.397 | C | S | . | . | trans | -125.9 | 145.2 | 163.6 | 62 | 0 | 0 | 0 | 0 | 109.1 | D451 A452 Q453 L542 | T449-D451 PolarHBondContact O-N 3Å; T449-A452 PolarHBondContact O-N 2.72Å; T449-A452 VanDerWaalsContact O-N 3.09Å; T449-A452 WeakPolarHBondContact OG1-CB 3.24Å; T449-A452 PolarHBondContact OG1-N 2.96Å; T449-Q453 PolarHBondContact O-N 2.95Å; T449-L542 HydrophobicContact CG2-CD2 3.96Å | ||
| 450 | P | 71.4 | Confident | 76.5 | Confident | 31 Ų | 31 | 71.9 Ų | 71.9 | 20% | 0.201 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -36.7 | 178.6 | -26.9 | 35.2 | 0 | 0 | 0 | 113.4 | Y448 | Y448-P450 HydrophobicContact CE1-CG 4.47Š|
| 451 | D | 71.1 | Confident | 73.9 | Confident | 154 Ų | 154 | 70.1 Ų | 70.1 | 82% | 0.824 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -31.7 | -179.7 | -55.2 | -35.8 | 0 | 0 | 0 | 113.2 | T449 | T449-D451 PolarHBondContact O-N 3Š|
| 452 | A | 68.5 | Low | 71.7 | Confident | 79 Ų | 79 | 68.6 Ų | 68.6 | 65% | 0.653 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -26.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T449 | T449-A452 PolarHBondContact O-N 2.72Å; T449-A452 VanDerWaalsContact O-N 3.09Å; T449-A452 WeakPolarHBondContact OG1-CB 3.24Å; T449-A452 PolarHBondContact OG1-N 2.96Å |
| 453 | Q | 68.6 | Low | 70.2 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 29% | 0.285 | 44% | 0.438 | S | S | . | . | trans | -147.6 | 102.6 | 178.5 | -173.9 | 175.6 | 2.2 | 0 | 0 | 111 | Y448 T449 V455 | Y448-Q453 HydrophobicContact CD2-CB 4.29Å; Y448-Q453 HydrophobicContact CE2-CB 3.99Å; Y448-Q453 HydrophobicContact CE2-CG 4.48Å; Y448-Q453 WeakPolarHBondContact CE2-O 3.46Å; Y448-Q453 PolarHBondContact OH-O 2.78Å; T449-Q453 PolarHBondContact O-N 2.95Å; Q453-V455 PolarHBondContact O-N 2.92Å | ||
| 454 | H | 67.4 | Low | 69.6 | Low | 162 Ų | 162 | 70.8 Ų | 70.8 | 75% | 0.75 | 44% | 0.442 | S | S | * | . | trans | -75.6 | 108.8 | 175.4 | -162.6 | -87.4 | 0 | 0 | 0 | 110.7 | S456 | H454-S456 PolarHBondContact O-N 3.02Š| ||
| 455 | V | 67.3 | Low | 69.3 | Low | 16 Ų | 16 | 68.8 Ų | 68.8 | 10% | 0.097 | 42% | 0.421 | C | S | . | . | trans | -84.3 | 111.6 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | Y448 Q453 L457 P465 Q469 L470 | Y448-V455 HydrophobicContact CE2-CG2 4.06Å; Q453-V455 PolarHBondContact O-N 2.92Å; V455-L457 PolarHBondContact O-N 3.18Å; V455-L457 VanDerWaalsContact O-N 3.15Å; V455-P465 HydrophobicContact CG1-CB 3.94Å; V455-Q469 HydrophobicContact CG1-CB 4.17Å; V455-Q469 HydrophobicContact CG1-CG 4.35Å; V455-L470 HydrophobicContact CG2-CD2 4.25Å | ||
| 456 | S | 56.6 | Low | 69.3 | Low | 89 Ų | 89 | 64.2 Ų | 64.2 | 62% | 0.622 | 39% | 0.389 | S | S | * | . | trans | -65.7 | 113.4 | 178.7 | -70 | 0 | 0 | 0 | 0 | 110.9 | H454 G458 | H454-S456 PolarHBondContact O-N 3.02Å; S456-G458 PolarHBondContact O-N 3.1Å | ||
| 457 | L | 56.4 | Low | 69.3 | Low | 62 Ų | 62 | 59.5 Ų | 59.5 | 33% | 0.325 | 37% | 0.371 | S | S | . | . | trans | -76.3 | 106.8 | 172.5 | -58.8 | 177.4 | 0 | 0 | 0 | 107.7 | V455 G459 T463 | V455-L457 PolarHBondContact O-N 3.18Å; V455-L457 VanDerWaalsContact O-N 3.15Å; L457-G459 VanDerWaalsContact C-N 3.29Å; L457-G459 PolarHBondContact O-N 3.23Å; L457-T463 WeakPolarHBondContact CD2-O 3.33Å | ||
| 458 | G | 44.8 | Very low | 69.3 | Low | 78 Ų | 78 | 61.8 Ų | 61.8 | 80% | 0.804 | 38% | 0.381 | S | S | * | . | trans | -59.8 | 74.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116 | S456 R460 | S456-G458 PolarHBondContact O-N 3.1Å; G458-R460 VanDerWaalsContact C-N 3.25Å; G458-R460 PolarHBondContact O-N 2.98Å | ||
| 459 | G | 42 | Very low | 69.2 | Low | 82 Ų | 82 | 65.6 Ų | 65.6 | 85% | 0.845 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 73 | 0.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L457 | L457-G459 VanDerWaalsContact C-N 3.29Å; L457-G459 PolarHBondContact O-N 3.23Å |
| 460 | R | 44.2 | Very low | 69.6 | Low | 151 Ų | 151 | 64.3 Ų | 64.3 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | trans | -129.7 | 108.2 | 171 | -67.4 | -174.6 | -179.5 | -169.5 | -1.6 | 109.2 | G458 T462 T463 E679 | G458-R460 VanDerWaalsContact C-N 3.25Å; G458-R460 PolarHBondContact O-N 2.98Å; R460-T462 PolarHBondContact O-N 3.35Å; R460-T463 PolarHBondContact O-OG1 3.19Å; R460-E679 IonicContact NH1-OE2 3.55Å | ||
| 461 | A | 41.9 | Very low | 70.8 | Confident | 56 Ų | 56 | 66.2 Ų | 66.2 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 7.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | E582 | A461-E582 WeakPolarHBondContact CB-OE1 3.15Š|
| 462 | T | 50.3 | Low | 72 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 13.7 | -166.7 | 64.7 | 0 | 0 | 0 | 0 | 114.5 | R460 | R460-T462 PolarHBondContact O-N 3.35Š|
| 463 | T | 66.8 | Low | 73.3 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | trans | -109.1 | 133.6 | -174 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | P324 L457 R460 | P324-T463 HydrophobicContact CG-CG2 4.47Å; L457-T463 WeakPolarHBondContact CD2-O 3.33Å; R460-T463 PolarHBondContact O-OG1 3.19Å | ||
| 464 | L | 84.6 | Confident | 74.7 | Confident | 17 Ų | 17 | 56.7 Ų | 56.7 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 151.7 | 171.9 | -73.5 | 155.2 | 0 | 0 | 0 | 110 | P324 L325 A326 W586 L615 | P324-L464 WeakPolarHBondContact CA-O 3.49Å; P324-L464 HydrophobicContact CB-CB 4.31Å; P324-L464 WeakPolarHBondContact CB-O 3.42Å; L325-L464 HydrophobicContact CB-CB 4.2Å; A326-L464 HydrophobicContact CB-CD1 3.66Å; L464-W586 HydrophobicContact CD2-CB 3.78Å; L464-W586 HydrophobicContact CD2-CD2 4.28Å; L464-W586 HydrophobicContact CD2-CG 3.73Å; L464-L615 HydrophobicContact CD1-CD1 4Å; L464-L615 HydrophobicContact CD1-CD2 4.4Å; L464-L615 HydrophobicContact CD1-CG 3.64Å; L464-L615 HydrophobicContact CD2-CD1 4.15Å |
| 465 | P | 89.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 161.1 | 174.5 | 32.2 | -40.9 | 0 | 0 | 0 | 110.6 | L325 V455 L470 W586 | L325-P465 HydrophobicContact CD1-CG 4.09Å; L325-P465 VanDerWaalsContact CG-O 3.27Å; L325-P465 WeakPolarHBondContact CG-O 3.21Å; L325-P465 PolarHBondContact N-O 2.91Å; V455-P465 HydrophobicContact CG1-CB 3.94Å; P465-L470 HydrophobicContact CB-CD1 3.9Å; P465-L470 HydrophobicContact CB-CG 4.06Å; P465-L470 HydrophobicContact CG-CD1 3.42Å; P465-L470 VanDerWaalsContact CG-CD1 3.42Å; P465-L470 HydrophobicContact CG-CG 4.1Å; P465-W586 HydrophobicContact CB-CH2 4.23Å; P465-W586 HydrophobicContact CB-CZ2 4.29Å; P465-W586 VanDerWaalsContact CD-CZ2 3.47Å; P465-W586 HydrophobicContact CG-CE3 4.35Å; P465-W586 HydrophobicContact CG-CH2 3.45Å; P465-W586 VanDerWaalsContact CG-CH2 3.45Å; P465-W586 HydrophobicContact CG-CZ2 3.65Å; P465-W586 HydrophobicContact CG-CZ3 3.83Å |
| 466 | S | 92.8 | Very high | 77.5 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 155.9 | 175.4 | 63 | 0 | 0 | 0 | 0 | 112.9 | M321 N322 L323 E468 Q469 L470 | M321-S466 WeakPolarHBondContact O-CB 3.37Å; N322-S466 WeakPolarHBondContact O-CB 3.48Å; L323-S466 WeakPolarHBondContact O-CA 3.3Å; L323-S466 WeakPolarHBondContact O-CB 3.41Å; S466-E468 PolarHBondContact O-N 3.29Å; S466-Q469 PolarHBondContact O-N 2.63Å; S466-Q469 VanDerWaalsContact OG-CG 3.25Å; S466-Q469 WeakPolarHBondContact OG-CG 3.32Å; S466-Q469 PolarHBondContact OG-N 2.72Å; S466-Q469 PolarHBondContact OG-OE1 3.32Å; S466-L470 PolarHBondContact O-N 3.14Å |
| 467 | P | 96.3 | Very high | 79.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -38.1 | 168.8 | -26.6 | 33.4 | 0 | 0 | 0 | 113 | M321 L323 L325 Y328 Y417 P418 L470 K471 Y669 | M321-P467 HydrophobicContact CE-CB 3.79Å; M321-P467 HydrophobicContact CE-CG 4.16Å; M321-P467 WeakPolarHBondContact O-CD 3.35Å; L323-P467 VanDerWaalsContact O-CD 3.29Å; L323-P467 WeakPolarHBondContact O-CD 3.44Å; L325-P467 HydrophobicContact CD2-CG 4.09Å; Y328-P467 HydrophobicContact CD2-CG 3.81Å; Y328-P467 HydrophobicContact CE1-CG 4.38Å; Y328-P467 HydrophobicContact CE2-CG 3.63Å; Y328-P467 HydrophobicContact CG-CG 4.28Å; Y417-P467 HydrophobicContact CD1-CB 3.66Å; Y417-P467 HydrophobicContact CE1-CB 4.28Å; Y417-P467 HydrophobicContact CG-CB 4.42Å; P418-P467 VanDerWaalsContact CD-O 3.22Å; P418-P467 WeakPolarHBondContact CD-O 3.45Å; P467-L470 PolarHBondContact O-N 2.87Å; P467-K471 PolarHBondContact O-N 3.34Å; P467-Y669 HydrophobicContact CB-CD1 4.4Å; P467-Y669 HydrophobicContact CG-CD1 3.9Å; P467-Y669 HydrophobicContact CG-CE1 4.14Å; P467-Y669 HydrophobicContact CG-CG 4.42Å |
| 468 | E | 95.4 | Very high | 81.1 | Confident | 66 Ų | 66 | 41.3 Ų | 41.3 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -45.3 | 179 | -167.4 | 65.3 | -154.6 | 0 | 0 | 112.4 | M321 N322 S466 L470 K471 | M321-E468 HydrophobicContact CB-CB 4.4Å; M321-E468 VanDerWaalsContact O-CB 3.29Å; M321-E468 WeakPolarHBondContact O-CB 3.13Å; M321-E468 PolarHBondContact O-N 2.84Å; N322-E468 WeakPolarHBondContact OD1-CG 3.28Å; S466-E468 PolarHBondContact O-N 3.29Å; E468-L470 PolarHBondContact O-N 2.83Å; E468-K471 WeakPolarHBondContact O-CG 3.19Å; E468-K471 PolarHBondContact O-N 3.02Å; E468-K471 VanDerWaalsContact OE1-CE 3.28Å; E468-K471 WeakPolarHBondContact OE1-CE 3.43Å; E468-K471 IonicContact OE1-NZ 3.39Å; E468-K471 PolarHBondContact OE1-NZ 3.24Å; E468-K471 WeakPolarHBondContact OE2-CE 3.43Å; E468-K471 IonicContact OE2-NZ 3.87Å; E468-K471 PolarHBondContact OE2-NZ 2.78Å |
| 469 | Q | 92.3 | Very high | 83.2 | Confident | 87 Ų | 87 | 38.7 Ų | 38.7 | 41% | 0.407 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.3 | -179.8 | -74.3 | 168.6 | -50.1 | 0 | 0 | 113.6 | V455 S466 | V455-Q469 HydrophobicContact CG1-CB 4.17Å; V455-Q469 HydrophobicContact CG1-CG 4.35Å; S466-Q469 PolarHBondContact O-N 2.63Å; S466-Q469 VanDerWaalsContact OG-CG 3.25Å; S466-Q469 WeakPolarHBondContact OG-CG 3.32Å; S466-Q469 PolarHBondContact OG-N 2.72Å; S466-Q469 PolarHBondContact OG-OE1 3.32Å |
| 470 | L | 94.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 16.8 | -176 | -66.4 | 174.3 | 0 | 0 | 0 | 113 | L325 P418 Y448 V455 P465 S466 P467 E468 G472 R473 L475 | L325-L470 HydrophobicContact CD1-CD1 3.86Å; P418-L470 HydrophobicContact CB-CB 3.8Å; P418-L470 HydrophobicContact CG-CB 3.73Å; P418-L470 HydrophobicContact CG-CD1 4.47Å; Y448-L470 HydrophobicContact CD2-CD2 3.95Å; Y448-L470 HydrophobicContact CE2-CD2 3.93Å; Y448-L470 HydrophobicContact CG-CD2 4.46Å; V455-L470 HydrophobicContact CG2-CD2 4.25Å; P465-L470 HydrophobicContact CB-CD1 3.9Å; P465-L470 HydrophobicContact CB-CG 4.06Å; P465-L470 HydrophobicContact CG-CD1 3.42Å; P465-L470 VanDerWaalsContact CG-CD1 3.42Å; P465-L470 HydrophobicContact CG-CG 4.1Å; S466-L470 PolarHBondContact O-N 3.14Å; P467-L470 PolarHBondContact O-N 2.87Å; E468-L470 PolarHBondContact O-N 2.83Å; L470-G472 PolarHBondContact O-N 3.01Å; L470-R473 VanDerWaalsContact O-CB 3.26Å; L470-R473 WeakPolarHBondContact O-CB 3.39Å; L470-R473 WeakPolarHBondContact O-CG 3.48Å; L470-R473 PolarHBondContact O-N 3.47Å; L470-R473 VanDerWaalsContact O-N 3.09Å; L470-L475 HydrophobicContact CD1-CD1 4.18Å; L470-L475 HydrophobicContact CD1-CD2 3.73Å; L470-L475 HydrophobicContact CD2-CD1 4.49Å |
| 471 | K | 95.8 | Very high | 87.5 | Confident | 70 Ų | 70 | 29.9 Ų | 29.9 | 30% | 0.304 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 135.4 | 177.2 | -84.4 | -178.3 | 170.6 | 173.6 | 0 | 112.2 | Q416 Y417 P467 E468 R473 | Q416-K471 CarbonylContact O-C 3.59Å; Q416-K471 WeakPolarHBondContact O-CA 3.2Å; Y417-K471 HydrophobicContact CD1-CG 4.09Å; Y417-K471 HydrophobicContact CE1-CD 4.38Å; Y417-K471 HydrophobicContact CE1-CG 4.25Å; P467-K471 PolarHBondContact O-N 3.34Å; E468-K471 WeakPolarHBondContact O-CG 3.19Å; E468-K471 PolarHBondContact O-N 3.02Å; E468-K471 VanDerWaalsContact OE1-CE 3.28Å; E468-K471 WeakPolarHBondContact OE1-CE 3.43Å; E468-K471 IonicContact OE1-NZ 3.39Å; E468-K471 PolarHBondContact OE1-NZ 3.24Å; E468-K471 WeakPolarHBondContact OE2-CE 3.43Å; E468-K471 IonicContact OE2-NZ 3.87Å; E468-K471 PolarHBondContact OE2-NZ 2.78Å; K471-R473 PolarHBondContact O-N 2.73Å |
| 472 | G | 96.4 | Very high | 89.5 | Confident | 27 Ų | 27 | 29.9 Ų | 29.9 | 28% | 0.278 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 10.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F412 Q416 L470 | F412-G472 WeakPolarHBondContact CE2-O 3.38Å; F412-G472 VanDerWaalsContact CZ-O 3.32Å; F412-G472 WeakPolarHBondContact CZ-O 3.36Å; Q416-G472 PolarHBondContact O-N 3.49Å; L470-G472 PolarHBondContact O-N 3.01Å |
| 473 | R | 96.7 | Very high | 90.6 | Very high | 68 Ų | 68 | 29.5 Ų | 29.5 | 26% | 0.257 | 16% | 0.159 | S | C | . | . | trans | -103.4 | 145.7 | -179.5 | -58.1 | -56.6 | -167.5 | -163.5 | -4.8 | 113.1 | P418 L419 S445 R446 L470 K471 L475 | P418-R473 VanDerWaalsContact CA-O 3.29Å; P418-R473 WeakPolarHBondContact CA-O 3.47Å; L419-R473 PolarHBondContact N-O 3.14Å; S445-R473 PolarHBondContact O-NH1 2.81Å; R446-R473 CarbonylContact O-C 3.47Å; R446-R473 WeakPolarHBondContact O-CA 3.42Å; L470-R473 VanDerWaalsContact O-CB 3.26Å; L470-R473 WeakPolarHBondContact O-CB 3.39Å; L470-R473 WeakPolarHBondContact O-CG 3.48Å; L470-R473 PolarHBondContact O-N 3.47Å; L470-R473 VanDerWaalsContact O-N 3.09Å; K471-R473 PolarHBondContact O-N 2.73Å; R473-L475 HydrophobicContact CB-CD1 3.98Å | ||
| 474 | I | 98.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.5 | 172.2 | -57.5 | 176.4 | 0 | 0 | 0 | 107.5 | V407 A411 F412 L419 L421 F443 R446 Y448 | V407-I474 HydrophobicContact CG1-CD1 4.47Å; A411-I474 HydrophobicContact CB-CD1 4.27Å; F412-I474 HydrophobicContact CE2-CD1 4.34Å; F412-I474 HydrophobicContact CE2-CG1 4.02Å; F412-I474 HydrophobicContact CZ-CG1 3.8Å; L419-I474 HydrophobicContact CB-CG1 4.37Å; L419-I474 CarbonylContact O-C 3.56Å; L419-I474 WeakPolarHBondContact O-CA 3.4Å; L421-I474 HydrophobicContact CB-CG2 4.25Å; F443-I474 HydrophobicContact CD1-CD1 3.45Å; F443-I474 VanDerWaalsContact CD1-CD1 3.45Å; F443-I474 HydrophobicContact CD2-CD1 4.29Å; F443-I474 HydrophobicContact CD2-CG2 4.27Å; F443-I474 HydrophobicContact CE1-CD1 3.52Å; F443-I474 HydrophobicContact CE2-CD1 4.32Å; F443-I474 HydrophobicContact CE2-CG2 3.98Å; F443-I474 HydrophobicContact CG-CD1 3.87Å; F443-I474 HydrophobicContact CZ-CD1 3.96Å; F443-I474 HydrophobicContact CZ-CG2 4.3Å; R446-I474 HydrophobicContact CB-CD1 4.48Å; R446-I474 PolarHBondContact O-N 2.85Å; Y448-I474 PolarHBondContact N-O 3.01Å |
| 475 | L | 96.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.2 | -177.7 | -74.7 | 76.8 | 0 | 0 | 0 | 109.4 | P418 L419 L420 L421 Y448 L470 R473 A544 I545 W586 | P418-L475 HydrophobicContact CB-CD1 3.89Å; L419-L475 PolarHBondContact O-N 3.43Å; L420-L475 HydrophobicContact CD2-CB 4.04Å; L421-L475 PolarHBondContact N-O 2.66Å; Y448-L475 HydrophobicContact CD1-CD2 4.44Å; Y448-L475 HydrophobicContact CD1-CG 4.14Å; Y448-L475 HydrophobicContact CG-CG 4.3Å; L470-L475 HydrophobicContact CD1-CD1 4.18Å; L470-L475 HydrophobicContact CD1-CD2 3.73Å; L470-L475 HydrophobicContact CD2-CD1 4.49Å; R473-L475 HydrophobicContact CB-CD1 3.98Å; L475-A544 HydrophobicContact CB-CB 4.38Å; L475-A544 HydrophobicContact CG-CB 4.49Å; L475-I545 HydrophobicContact CD2-CD1 4.19Å; L475-W586 HydrophobicContact CD2-CE3 4.47Å; L475-W586 HydrophobicContact CD2-CZ3 3.95Å |
| 476 | L | 96.4 | Very high | 90 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125.4 | 176.2 | -170.1 | 67 | 0 | 0 | 0 | 110.7 | L421 L423 L439 L539 L542 V543 A544 I545 | L421-L476 HydrophobicContact CB-CD1 4.45Å; L421-L476 HydrophobicContact CD2-CD1 4.4Å; L423-L476 HydrophobicContact CB-CD1 3.7Å; L423-L476 HydrophobicContact CD2-CD1 3.97Å; L423-L476 HydrophobicContact CD2-CD2 4.43Å; L423-L476 HydrophobicContact CG-CD1 4.46Å; L439-L476 HydrophobicContact CD1-CD2 4.14Å; L476-L539 HydrophobicContact CD2-CD1 4.47Å; L476-L542 WeakPolarHBondContact CB-O 3.29Å; L476-L542 HydrophobicContact CD2-CB 3.85Å; L476-V543 HydrophobicContact CD2-CG2 3.85Å; L476-V543 HydrophobicContact CG-CG2 4.24Å; L476-A544 PolarHBondContact O-N 3.49Å; L476-I545 PolarHBondContact O-N 2.8Å; L476-I545 VanDerWaalsContact O-N 3.16Å |
| 477 | V | 95.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 111 | 174 | -169.6 | 0 | 0 | 0 | 0 | 108.9 | L420 L421 Y422 L423 I545 R547 M588 | L420-V477 HydrophobicContact CB-CG2 4.23Å; L420-V477 HydrophobicContact CD2-CG2 3.74Å; L421-V477 PolarHBondContact O-N 3.14Å; Y422-V477 HydrophobicContact CD2-CB 3.91Å; Y422-V477 HydrophobicContact CD2-CG1 3.62Å; Y422-V477 HydrophobicContact CE2-CG1 3.91Å; L423-V477 PolarHBondContact N-O 3.23Å; V477-I545 WeakPolarHBondContact CA-O 3.26Å; V477-I545 HydrophobicContact CB-CB 4.49Å; V477-I545 HydrophobicContact CG1-CB 4.21Å; V477-I545 HydrophobicContact CG1-CG2 4.24Å; V477-I545 HydrophobicContact CG2-CB 4.12Å; V477-I545 HydrophobicContact CG2-CD1 4.25Å; V477-R547 HydrophobicContact CG1-CG 4.09Å; V477-R547 PolarHBondContact O-NE 3.23Å; V477-R547 PolarHBondContact O-NH2 3.31Å; V477-M588 HydrophobicContact CG1-CB 4.47Å; V477-M588 HydrophobicContact CG1-CE 4.18Å; V477-M588 HydrophobicContact CG1-SD 3.92Å; V477-M588 HydrophobicContact CG2-CE 4.24Å |
| 478 | G | 92.9 | Very high | 88.5 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | -179.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I545 A546 R547 | G478-I545 PolarHBondContact N-O 3.29Å; G478-A546 WeakPolarHBondContact O-CA 3.46Å; G478-R547 WeakPolarHBondContact O-CG 3.41Å; G478-R547 PolarHBondContact O-N 2.72Å |
| 479 | K | 89.4 | Confident | 88 | Confident | 24 Ų | 24 | 51.8 Ų | 51.8 | 10% | 0.104 | 28% | 0.278 | C | S | . | . | trans | -76.1 | 146.2 | 166.4 | -63.3 | -172.7 | -167.1 | 168.4 | 0 | 109.3 | V492 S493 E497 L533 L535 V543 | K479-V492 HydrophobicContact CB-CG2 4.1Å; K479-V492 HydrophobicContact CD-CB 4.27Å; K479-V492 HydrophobicContact CD-CG2 3.48Å; K479-V492 VanDerWaalsContact CD-CG2 3.48Å; K479-V492 HydrophobicContact CG-CG2 4.42Å; K479-S493 PolarHBondContact NZ-O 2.95Å; K479-S493 VanDerWaalsContact NZ-O 3.16Å; K479-E497 VanDerWaalsContact CE-OE1 3.3Å; K479-E497 WeakPolarHBondContact CE-OE1 3.29Å; K479-E497 WeakPolarHBondContact CE-OE2 3.32Å; K479-E497 VanDerWaalsContact NZ-CD 3.27Å; K479-E497 IonicContact NZ-OE1 3.82Å; K479-E497 IonicContact NZ-OE2 3.92Å; K479-E497 PolarHBondContact NZ-OE2 3.09Å; K479-L533 HydrophobicContact CD-CD2 3.97Å; K479-L535 HydrophobicContact CB-CD2 4.05Å; K479-L535 WeakPolarHBondContact O-CD2 3.32Å; K479-V543 WeakPolarHBondContact O-CG2 3.28Å | ||
| 480 | K | 88.6 | Confident | 87.6 | Confident | 39 Ų | 39 | 48 Ų | 48 | 17% | 0.17 | 26% | 0.262 | C | S | . | . | trans | -133.4 | 137.6 | -177.4 | -169 | 161.2 | -173.1 | 156.1 | 0 | 109.9 | V543 A546 Y585 | K480-V543 HydrophobicContact CB-CB 4.47Å; K480-V543 HydrophobicContact CB-CG1 4.32Å; K480-V543 HydrophobicContact CD-CB 4.33Å; K480-V543 HydrophobicContact CD-CG1 4.41Å; K480-V543 PolarHBondContact NZ-O 3.28Å; K480-A546 HydrophobicContact CB-CB 3.9Å; K480-Y585 HydrophobicContact CD-CD1 3.55Å; K480-Y585 HydrophobicContact CD-CD2 4.27Å; K480-Y585 HydrophobicContact CD-CE1 4.03Å; K480-Y585 HydrophobicContact CD-CG 3.68Å; K480-Y585 HydrophobicContact CG-CD1 4.44Å; K480-Y585 HydrophobicContact CG-CE1 4.46Å | ||
| 481 | L | 88.4 | Confident | 87.1 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | trans | -69 | 142.3 | 173.5 | -67.3 | 174.1 | 0 | 0 | 0 | 110.1 | E485 V492 L535 R537 S540 | L481-E485 HydrophobicContact CB-CB 4.5Å; L481-V492 HydrophobicContact CD2-CG1 3.97Å; L481-L535 HydrophobicContact CD2-CB 4.14Å; L481-L535 HydrophobicContact CD2-CD2 4.17Å; L481-L535 HydrophobicContact CD2-CG 4.42Å; L481-L535 HydrophobicContact CG-CD2 3.98Å; L481-L535 HydrophobicContact CG-CG 4.29Å; L481-R537 HydrophobicContact CD1-CB 4.23Å; L481-S540 PolarHBondContact N-OG 2.76Å | ||
| 482 | P | 82.4 | Confident | 86.3 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | trans | -55.9 | 148.1 | 168.3 | -22.2 | 31.8 | 0 | 0 | 0 | 111.4 | E484 E485 | P482-E484 PolarHBondContact O-N 3.39Å; P482-E484 VanDerWaalsContact O-N 3.14Å; P482-E485 HydrophobicContact CB-CG 4.48Å; P482-E485 HydrophobicContact CG-CG 4.37Å; P482-E485 PolarHBondContact O-N 2.86Å | ||
| 483 | P | 74.6 | Confident | 85.2 | Confident | 95 Ų | 95 | 52.3 Ų | 52.3 | 62% | 0.617 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19 | 178.5 | 25.7 | -33.4 | 0 | 0 | 0 | 113.5 | ||
| 484 | E | 76.4 | Confident | 83.6 | Confident | 177 Ų | 177 | 50.4 Ų | 50.4 | 83% | 0.827 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.3 | 179.6 | -61.7 | 173.5 | -167.7 | 0 | 0 | 113.5 | P482 E486 | P482-E484 PolarHBondContact O-N 3.39Å; P482-E484 VanDerWaalsContact O-N 3.14Å; E484-E486 PolarHBondContact O-N 3.32Å |
| 485 | E | 77.8 | Confident | 81.4 | Confident | 74 Ų | 74 | 54.5 Ų | 54.5 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | trans | -70.8 | 127.6 | 172.7 | -75.9 | -78.9 | 170.8 | 0 | 0 | 108.7 | L481 P482 R537 | L481-E485 HydrophobicContact CB-CB 4.5Å; P482-E485 HydrophobicContact CB-CG 4.48Å; P482-E485 HydrophobicContact CG-CG 4.37Å; P482-E485 PolarHBondContact O-N 2.86Å; E485-R537 PolarHBondContact O-NH1 2.97Å; E485-R537 VanDerWaalsContact O-NH1 3.16Å; E485-R537 PolarHBondContact O-NH2 2.68Å | ||
| 486 | E | 72.5 | Confident | 79.3 | Confident | 188 Ų | 188 | 58.1 Ų | 58.1 | 88% | 0.879 | 32% | 0.315 | S | S | * | . | trans | -107 | -13.1 | 178.3 | -66.9 | -170.2 | 162.8 | 0 | 0 | 113.7 | E484 | E484-E486 PolarHBondContact O-N 3.32Š| ||
| 487 | G | 79.7 | Confident | 77.1 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -74 | 165.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | D489 R537 | G487-D489 VanDerWaalsContact C-N 3.26Å; G487-D489 PolarHBondContact O-N 3.22Å; G487-R537 VanDerWaalsContact O-CZ 3.24Å; G487-R537 PolarHBondContact O-NE 2.82Å; G487-R537 PolarHBondContact O-NH2 3.37Å |
| 488 | S | 79.6 | Confident | 75 | Confident | 75 Ų | 75 | 62.2 Ų | 62.2 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -67.4 | -29.2 | 174.6 | 56.6 | 0 | 0 | 0 | 0 | 113 | R537 | S488-R537 WeakPolarHBondContact O-CB 3.36Å; S488-R537 PolarHBondContact O-N 3.18Å |
| 489 | D | 84.2 | Confident | 72.3 | Confident | 59 Ų | 59 | 63.3 Ų | 63.3 | 32% | 0.316 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.1 | -179.9 | -55.1 | -60.3 | 0 | 0 | 0 | 108.6 | G487 L535 H536 | G487-D489 VanDerWaalsContact C-N 3.26Å; G487-D489 PolarHBondContact O-N 3.22Å; D489-L535 WeakPolarHBondContact CA-O 3.36Å; D489-H536 WeakPolarHBondContact OD1-CA 3.43Å; D489-H536 WeakPolarHBondContact OD1-CB 3.22Å; D489-H536 IonicContact OD1-CD2 2.71Å; D489-H536 PolarHBondContact OD1-CD2 2.82Å; D489-H536 IonicContact OD1-CG 2.64Å |
| 490 | G | 84.4 | Confident | 69.8 | Low | 7 Ų | 7 | 64 Ų | 64 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 167.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S534 L535 | G490-S534 CarbonylContact O-C 3.6Å; G490-S534 WeakPolarHBondContact O-CA 3.48Å; G490-L535 PolarHBondContact N-O 2.69Å; G490-L535 PolarHBondContact O-N 2.87Å |
| 491 | E | 82.3 | Confident | 67.1 | Low | 120 Ų | 120 | 65.1 Ų | 65.1 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.4 | 177.9 | -67 | -170.8 | 156 | 0 | 0 | 111 | K532 | E491-K532 HydrophobicContact CB-CD 4.39Å; E491-K532 WeakPolarHBondContact OE2-CD 3.45Å; E491-K532 WeakPolarHBondContact OE2-CE 3.33Å; E491-K532 IonicContact OE2-NZ 2.7Å; E491-K532 PolarHBondContact OE2-NZ 3.18Å |
| 492 | V | 80.3 | Confident | 64.4 | Low | 19 Ų | 19 | 66.5 Ų | 66.5 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 145.3 | 170.6 | -63.9 | 0 | 0 | 0 | 0 | 110 | K479 L481 L533 L535 | K479-V492 HydrophobicContact CB-CG2 4.1Å; K479-V492 HydrophobicContact CD-CB 4.27Å; K479-V492 HydrophobicContact CD-CG2 3.48Å; K479-V492 VanDerWaalsContact CD-CG2 3.48Å; K479-V492 HydrophobicContact CG-CG2 4.42Å; L481-V492 HydrophobicContact CD2-CG1 3.97Å; V492-L533 HydrophobicContact CG2-CB 3.98Å; V492-L533 HydrophobicContact CG2-CD2 4.22Å; V492-L533 HydrophobicContact CG2-CG 4.38Å; V492-L533 WeakPolarHBondContact CG2-O 3.32Å; V492-L533 PolarHBondContact N-O 3.19Å; V492-L533 PolarHBondContact O-N 3.08Å; V492-L535 HydrophobicContact CG1-CB 4.32Å; V492-L535 HydrophobicContact CG1-CD2 3.95Å; V492-L535 HydrophobicContact CG2-CB 3.91Å; V492-L535 HydrophobicContact CG2-CD2 4.22Å |
| 493 | S | 72.4 | Confident | 62.1 | Low | 49 Ų | 49 | 65.2 Ų | 65.2 | 34% | 0.343 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 137.3 | -179.8 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | K479 E495 | K479-S493 PolarHBondContact NZ-O 2.95Å; K479-S493 VanDerWaalsContact NZ-O 3.16Å; S493-E495 VanDerWaalsContact OG-CB 3.26Å; S493-E495 WeakPolarHBondContact OG-CB 3.27Å; S493-E495 WeakPolarHBondContact OG-CG 3.47Å; S493-E495 PolarHBondContact OG-N 3Å; S493-E495 VanDerWaalsContact OG-N 3.16Å |
| 494 | E | 64.3 | Low | 60.4 | Low | 29 Ų | 29 | 64.3 Ų | 64.3 | 14% | 0.136 | 38% | 0.383 | C | S | . | . | trans | -95.9 | 5.7 | 164.9 | -59.7 | -170.4 | 160.3 | 0 | 0 | 112.6 | D496 E497 R531 L533 | E494-D496 PolarHBondContact O-N 3.34Å; E494-E497 PolarHBondContact O-N 2.82Å; E494-R531 WeakPolarHBondContact CA-O 2.97Å; E494-R531 HydrophobicContact CB-CB 3.93Å; E494-R531 VanDerWaalsContact CB-O 3.24Å; E494-R531 WeakPolarHBondContact CB-O 2.99Å; E494-R531 HydrophobicContact CG-CB 4.25Å; E494-R531 PolarHBondContact N-O 3.46Å; E494-R531 WeakPolarHBondContact OE2-CB 3.5Å; E494-L533 HydrophobicContact CG-CB 3.64Å; E494-L533 WeakPolarHBondContact OE1-CB 3.18Å | ||
| 495 | E | 51.9 | Low | 58.8 | Low | 85 Ų | 85 | 58.7 Ų | 58.7 | 40% | 0.397 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -17.7 | 179.7 | -71.3 | 176.5 | 175.1 | 0 | 0 | 113.4 | S493 P530 R551 | S493-E495 VanDerWaalsContact OG-CB 3.26Å; S493-E495 WeakPolarHBondContact OG-CB 3.27Å; S493-E495 WeakPolarHBondContact OG-CG 3.47Å; S493-E495 PolarHBondContact OG-N 3Å; S493-E495 VanDerWaalsContact OG-N 3.16Å; E495-P530 HydrophobicContact CG-CB 3.5Å; E495-P530 WeakPolarHBondContact OE1-CB 3.43Å; E495-R551 IonicContact OE2-CZ 3.55Å; E495-R551 IonicContact OE2-NH1 3.54Å; E495-R551 PolarHBondContact OE2-NH1 2.78Å; E495-R551 IonicContact OE2-NH2 3.77Å; E495-R551 PolarHBondContact OE2-NH2 2.88Å |
| 496 | D | 51.5 | Low | 56.9 | Low | 77 Ų | 77 | 56.7 Ų | 56.7 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 1.3 | -173.2 | -52.9 | -43.3 | 0 | 0 | 0 | 114.3 | E494 S549 | E494-D496 PolarHBondContact O-N 3.34Å; D496-S549 WeakPolarHBondContact OD1-CB 3.4Å; D496-S549 WeakPolarHBondContact OD2-CB 3.35Å |
| 497 | E | 50.2 | Low | 55.3 | Low | 32 Ų | 32 | 50.5 Ų | 50.5 | 15% | 0.15 | 34% | 0.341 | C | S | . | . | trans | -106.4 | 77.9 | 176.7 | -83.8 | -174 | 168.3 | 0 | 0 | 109.6 | K479 E494 I499 R547 | K479-E497 VanDerWaalsContact CE-OE1 3.3Å; K479-E497 WeakPolarHBondContact CE-OE1 3.29Å; K479-E497 WeakPolarHBondContact CE-OE2 3.32Å; K479-E497 VanDerWaalsContact NZ-CD 3.27Å; K479-E497 IonicContact NZ-OE1 3.82Å; K479-E497 IonicContact NZ-OE2 3.92Å; K479-E497 PolarHBondContact NZ-OE2 3.09Å; E494-E497 PolarHBondContact O-N 2.82Å; E497-I499 HydrophobicContact CB-CB 4.41Å; E497-I499 HydrophobicContact CB-CD1 3.61Å; E497-I499 HydrophobicContact CB-CG1 3.55Å; E497-I499 HydrophobicContact CG-CD1 3.33Å; E497-I499 HydrophobicContact CG-CG1 3.68Å; E497-I499 PolarHBondContact O-N 3.28Å; E497-I499 WeakPolarHBondContact OE1-CD1 3.46Å; E497-I499 WeakPolarHBondContact OE2-CD1 3.12Å; E497-R547 IonicContact OE1-NH1 3.17Å | ||
| 498 | E | 50.4 | Low | 53.5 | Low | 56 Ų | 56 | 57 Ų | 57 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | trans | -68.7 | 62.6 | 153.4 | -74.5 | 175.4 | 175.2 | 0 | 0 | 108.4 | G500 G503 R619 | E498-G500 PolarHBondContact O-N 3.39Å; E498-G503 WeakPolarHBondContact OE1-CA 3.41Å; E498-G503 PolarHBondContact OE1-N 3.15Å; E498-R619 IonicContact OE2-CZ 2.73Å; E498-R619 VanDerWaalsContact OE2-CZ 3.24Å; E498-R619 IonicContact OE2-NH1 2.66Å; E498-R619 PolarHBondContact OE2-NH1 3.23Å; E498-R619 IonicContact OE2-NH2 2.76Å; E498-R619 PolarHBondContact OE2-NH2 3.35Å | ||
| 499 | I | 37.1 | Very low | 51.7 | Low | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.128 | 37% | 0.367 | C | S | . | . | trans | -92.3 | 95.8 | 173 | -54.3 | 176.3 | 0 | 0 | 0 | 105.3 | D380 C424 E497 | D380-I499 VanDerWaalsContact OD1-CG2 3.24Å; D380-I499 WeakPolarHBondContact OD1-CG2 3.48Å; D380-I499 WeakPolarHBondContact OD2-CG2 3.45Å; C424-I499 HydrophobicContact CB-CD1 3.75Å; E497-I499 HydrophobicContact CB-CB 4.41Å; E497-I499 HydrophobicContact CB-CD1 3.61Å; E497-I499 HydrophobicContact CB-CG1 3.55Å; E497-I499 HydrophobicContact CG-CD1 3.33Å; E497-I499 HydrophobicContact CG-CG1 3.68Å; E497-I499 PolarHBondContact O-N 3.28Å; E497-I499 WeakPolarHBondContact OE1-CD1 3.46Å; E497-I499 WeakPolarHBondContact OE2-CD1 3.12Å | ||
| 500 | G | 36.6 | Very low | 49.8 | Very low | 40 Ų | 40 | 65 Ų | 65 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 109.2 | 105.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E498 G502 | E498-G500 PolarHBondContact O-N 3.39Å; G500-G502 PolarHBondContact O-N 3.35Å |
| 501 | G | 32.8 | Very low | 48 | Very low | 61 Ų | 61 | 68.8 Ų | 68.8 | 63% | 0.629 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 25.5 | 64.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 502 | G | 31.6 | Very low | 46.3 | Very low | 37 Ų | 37 | 66.7 Ų | 66.7 | 38% | 0.381 | 39% | 0.388 | S | S | . | . | trans | 153.4 | 103.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | G500 S622 | G500-G502 PolarHBondContact O-N 3.35Å; G502-S622 PolarHBondContact N-OG 3.31Å | ||
| 503 | G | 34 | Very low | 44.4 | Very low | 29 Ų | 29 | 71.6 Ų | 71.6 | 30% | 0.299 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -160.8 | 167.7 | 134.7 | 0 | 0 | 0 | 0 | 0 | 111 | E498 | E498-G503 WeakPolarHBondContact OE1-CA 3.41Å; E498-G503 PolarHBondContact OE1-N 3.15Å |
| 504 | P | 39.3 | Very low | 43.3 | Very low | 77 Ų | 77 | 73 Ų | 73 | 50% | 0.5 | 44% | 0.442 | S | S | . | . | S | Bend | -72.2 | 93 | -57 | 33.8 | -21.2 | 0 | 0 | 0 | 109.8 | A506 | P504-A506 HydrophobicContact CB-CB 4.17Š| |
| 505 | L | 41.1 | Very low | 42.6 | Very low | 59 Ų | 59 | 75.8 Ų | 75.8 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | trans | -69.1 | -19 | 152.2 | -68.9 | 172.9 | 0 | 0 | 0 | 110.5 | G507 R508 M510 V524 | L505-G507 PolarHBondContact O-N 3.44Å; L505-R508 PolarHBondContact O-N 2.84Å; L505-M510 HydrophobicContact CD2-CG 4.06Å; L505-M510 HydrophobicContact CD2-SD 4.47Å; L505-V524 CarbonylContact C-O 3.59Å; L505-V524 HydrophobicContact CB-CB 3.63Å; L505-V524 HydrophobicContact CB-CG1 4.3Å; L505-V524 HydrophobicContact CB-CG2 3.61Å; L505-V524 HydrophobicContact CD1-CG2 4.11Å; L505-V524 HydrophobicContact CG-CG2 4.44Å; L505-V524 PolarHBondContact O-N 2.99Å | ||
| 506 | A | 39.6 | Very low | 42.5 | Very low | 31 Ų | 31 | 79.3 Ų | 79.3 | 26% | 0.256 | 47% | 0.472 | S | S | . | . | B | Isolated β-bridge | trans | -45.5 | 93 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P504 V524 P526 | P504-A506 HydrophobicContact CB-CB 4.17Å; A506-V524 CarbonylContact C-O 3.46Å; A506-V524 WeakPolarHBondContact CA-O 3.35Å; A506-P526 VanDerWaalsContact CB-CA 3.42Å; A506-P526 HydrophobicContact CB-CB 3.74Å; A506-P526 HydrophobicContact CB-CG 4.4Å |
| 507 | G | 37 | Very low | 42.4 | Very low | 58 Ų | 58 | 85.3 Ų | 85.3 | 60% | 0.598 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | L505 V524 | L505-G507 PolarHBondContact O-N 3.44Å; G507-V524 PolarHBondContact N-O 2.88Å |
| 508 | R | 43.3 | Very low | 42.4 | Very low | 171 Ų | 171 | 89.6 Ų | 89.6 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | trans | -98 | 138.9 | 174.3 | -97.7 | -179.1 | 160.6 | 177.9 | -6.4 | 111.9 | L505 | L505-R508 PolarHBondContact O-N 2.84Š| ||
| 509 | R | 41.3 | Very low | 42.1 | Very low | 209 Ų | 209 | 89.5 Ų | 89.5 | 79% | 0.789 | 54% | 0.535 | S | S | * | . | trans | -82.3 | 120.4 | 172.3 | -70.2 | -167.1 | 163 | 168.1 | -5.9 | 109.2 | V521 | R509-V521 VanDerWaalsContact CA-CG1 3.47Å; R509-V521 HydrophobicContact CB-CG1 3.36Å; R509-V521 HydrophobicContact CG-CG1 3.51Å | ||
| 510 | M | 44.2 | Very low | 42.3 | Very low | 95 Ų | 95 | 92.1 Ų | 92.1 | 47% | 0.468 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.6 | 173.6 | -69.9 | -73.6 | -64.7 | 0 | 0 | 110.2 | L505 V521 L522 | L505-M510 HydrophobicContact CD2-CG 4.06Å; L505-M510 HydrophobicContact CD2-SD 4.47Å; M510-V521 WeakPolarHBondContact O-CA 3.43Å; M510-L522 PolarHBondContact N-O 3.38Å; M510-L522 PolarHBondContact O-N 3.01Å |
| 511 | T | 46.8 | Very low | 42.7 | Very low | 86 Ų | 86 | 92.9 Ų | 92.9 | 53% | 0.528 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 139.5 | 163 | 28.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 512 | I | 46.8 | Very low | 43.3 | Very low | 76 Ų | 76 | 95.3 Ų | 95.3 | 39% | 0.39 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 128.5 | 179.6 | -58.6 | 173.1 | 0 | 0 | 0 | 108.6 | G514 E515 | I512-G514 PolarHBondContact O-N 2.84Å; I512-E515 HydrophobicContact CB-CB 4.36Å; I512-E515 PolarHBondContact O-N 2.89Å; I512-E515 VanDerWaalsContact O-N 3.14Å |
| 513 | P | 39.5 | Very low | 43.7 | Very low | 121 Ų | 121 | 97.7 Ų | 97.7 | 79% | 0.786 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 124.5 | 175.1 | -20.1 | 31.2 | 0 | 0 | 0 | 110.7 | ||
| 514 | G | 50.5 | Low | 44.1 | Very low | 79 Ų | 79 | 98.9 Ų | 98.9 | 81% | 0.814 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97 | -7.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | I512 | I512-G514 PolarHBondContact O-N 2.84Š|
| 515 | E | 48.6 | Very low | 43.9 | Very low | 88 Ų | 88 | 100.2 Ų | 100.2 | 41% | 0.411 | 56% | 0.563 | S | S | . | * | trans | -122 | 32.8 | 177.5 | -64 | -166.3 | 163.9 | 0 | 0 | 112.7 | I512 E517 L518 | I512-E515 HydrophobicContact CB-CB 4.36Å; I512-E515 PolarHBondContact O-N 2.89Å; I512-E515 VanDerWaalsContact O-N 3.14Å; E515-E517 PolarHBondContact O-N 2.85Å; E515-L518 HydrophobicContact CB-CD1 4.21Å; E515-L518 HydrophobicContact CG-CD1 4.2Å; E515-L518 PolarHBondContact O-N 3.07Å; E515-L518 VanDerWaalsContact O-N 3.12Å | ||
| 516 | E | 49.9 | Very low | 43.9 | Very low | 159 Ų | 159 | 101.7 Ų | 101.7 | 74% | 0.743 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -61.4 | -28.5 | -175.6 | -63.6 | 179.9 | 170.4 | 0 | 0 | 113 | ||
| 517 | E | 49 | Very low | 43.9 | Very low | 202 Ų | 202 | 105.2 Ų | 105.2 | 94% | 0.944 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -78.3 | -16 | 178.2 | -75.4 | -173.7 | 151.4 | 0 | 0 | 114.4 | E515 | E515-E517 PolarHBondContact O-N 2.85Š|
| 518 | L | 50.1 | Low | 44 | Very low | 122 Ų | 122 | 108.4 Ų | 108.4 | 64% | 0.639 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -93.2 | -9.9 | -174.1 | -73.6 | 164.2 | 0 | 0 | 0 | 114.1 | E515 V520 | E515-L518 HydrophobicContact CB-CD1 4.21Å; E515-L518 HydrophobicContact CG-CD1 4.2Å; E515-L518 PolarHBondContact O-N 3.07Å; E515-L518 VanDerWaalsContact O-N 3.12Å; L518-V520 HydrophobicContact CB-CG2 4.36Å; L518-V520 PolarHBondContact O-N 3.21Å; L518-V520 VanDerWaalsContact O-N 3.14Å |
| 519 | G | 44 | Very low | 44.1 | Very low | 55 Ų | 55 | 107.8 Ų | 107.8 | 57% | 0.567 | 61% | 0.614 | S | S | * | * | trans | 65.1 | 15.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | V521 | G519-V521 PolarHBondContact O-N 2.94Š| ||
| 520 | V | 42.3 | Very low | 44.7 | Very low | 79 Ų | 79 | 101.5 Ų | 101.5 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | trans | -77.9 | 123.8 | -178.7 | -173.9 | 0 | 0 | 0 | 0 | 110 | L518 | L518-V520 HydrophobicContact CB-CG2 4.36Å; L518-V520 PolarHBondContact O-N 3.21Å; L518-V520 VanDerWaalsContact O-N 3.14Å | ||
| 521 | V | 45.5 | Very low | 45.7 | Very low | 57 Ų | 57 | 105.9 Ų | 105.9 | 35% | 0.345 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.8 | 119.2 | -176.9 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | R509 M510 G519 V523 | R509-V521 VanDerWaalsContact CA-CG1 3.47Å; R509-V521 HydrophobicContact CB-CG1 3.36Å; R509-V521 HydrophobicContact CG-CG1 3.51Å; M510-V521 WeakPolarHBondContact O-CA 3.43Å; G519-V521 PolarHBondContact O-N 2.94Å; V521-V523 HydrophobicContact CG1-CG2 4.05Å |
| 522 | L | 44.3 | Very low | 46.9 | Very low | 111 Ų | 111 | 108.1 Ų | 108.1 | 58% | 0.581 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 122.2 | 173.9 | -129.8 | 132.4 | 0 | 0 | 0 | 109.5 | M510 V524 | M510-L522 PolarHBondContact N-O 3.38Å; M510-L522 PolarHBondContact O-N 3.01Å; L522-V524 HydrophobicContact CD2-CG2 4.31Å |
| 523 | V | 41.1 | Very low | 48.5 | Very low | 88 Ų | 88 | 105 Ų | 105 | 53% | 0.533 | 60% | 0.598 | S | S | . | * | trans | -119.3 | 115.9 | 176 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | V521 | V521-V523 HydrophobicContact CG1-CG2 4.05Š| ||
| 524 | V | 41.7 | Very low | 50.8 | Low | 54 Ų | 54 | 101.6 Ų | 101.6 | 33% | 0.327 | 58% | 0.578 | S | S | . | * | B | Isolated β-bridge | trans | -94.2 | 134.4 | 172.4 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | L505 A506 G507 L522 | L505-V524 CarbonylContact C-O 3.59Å; L505-V524 HydrophobicContact CB-CB 3.63Å; L505-V524 HydrophobicContact CB-CG1 4.3Å; L505-V524 HydrophobicContact CB-CG2 3.61Å; L505-V524 HydrophobicContact CD1-CG2 4.11Å; L505-V524 HydrophobicContact CG-CG2 4.44Å; L505-V524 PolarHBondContact O-N 2.99Å; A506-V524 CarbonylContact C-O 3.46Å; A506-V524 WeakPolarHBondContact CA-O 3.35Å; G507-V524 PolarHBondContact N-O 2.88Å; L522-V524 HydrophobicContact CD2-CG2 4.31Å |
| 525 | P | 34.9 | Very low | 52.8 | Low | 104 Ų | 104 | 97.9 Ų | 97.9 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 147.1 | 176.8 | 26.8 | -30.7 | 0 | 0 | 0 | 112.1 | ||
| 526 | P | 41.2 | Very low | 54.9 | Low | 90 Ų | 90 | 94 Ų | 94 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 144 | 173.3 | 11.9 | -16.5 | 0 | 0 | 0 | 112.7 | A506 | A506-P526 VanDerWaalsContact CB-CA 3.42Å; A506-P526 HydrophobicContact CB-CB 3.74Å; A506-P526 HydrophobicContact CB-CG 4.4Å |
| 527 | P | 41 | Very low | 56.9 | Low | 106 Ų | 106 | 89.7 Ų | 89.7 | 69% | 0.688 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 140.7 | 168.9 | 26.6 | -31.7 | 0 | 0 | 0 | 110 | Q529 | P527-Q529 VanDerWaalsContact C-N 3.33Å; P527-Q529 PolarHBondContact O-N 3.33Å |
| 528 | S | 39.3 | Very low | 59 | Low | 124 Ų | 124 | 83.5 Ų | 83.5 | 87% | 0.867 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -73.4 | -15.6 | -169.9 | 28.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 529 | Q | 43.7 | Very low | 61 | Low | 159 Ų | 159 | 77.8 Ų | 77.8 | 74% | 0.743 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -151.8 | 149.1 | 174.9 | -67.8 | -171.9 | -3.9 | 0 | 0 | 112.1 | P527 R531 | P527-Q529 VanDerWaalsContact C-N 3.33Å; P527-Q529 PolarHBondContact O-N 3.33Å; Q529-R531 PolarHBondContact O-N 2.98Å |
| 530 | P | 54.4 | Low | 63.4 | Low | 77 Ų | 77 | 75.2 Ų | 75.2 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | trans | -65.2 | 128.5 | 171.6 | 26.8 | -32.1 | 0 | 0 | 0 | 110.1 | E495 | E495-P530 HydrophobicContact CG-CB 3.5Å; E495-P530 WeakPolarHBondContact OE1-CB 3.43Å | ||
| 531 | R | 65.1 | Low | 65.7 | Low | 186 Ų | 186 | 75.1 Ų | 75.1 | 70% | 0.702 | 41% | 0.409 | S | S | * | . | trans | -71.2 | 148.3 | 176.7 | -64.6 | -178 | 176.5 | 174.9 | -0.2 | 109.9 | E494 Q529 | E494-R531 WeakPolarHBondContact CA-O 2.97Å; E494-R531 HydrophobicContact CB-CB 3.93Å; E494-R531 VanDerWaalsContact CB-O 3.24Å; E494-R531 WeakPolarHBondContact CB-O 2.99Å; E494-R531 HydrophobicContact CG-CB 4.25Å; E494-R531 PolarHBondContact N-O 3.46Å; E494-R531 WeakPolarHBondContact OE2-CB 3.5Å; Q529-R531 PolarHBondContact O-N 2.98Å | ||
| 532 | K | 71.8 | Confident | 67.9 | Low | 133 Ų | 133 | 72.9 Ų | 72.9 | 58% | 0.578 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136 | 179 | -62.4 | -173 | 179.2 | 180 | 0 | 109.4 | E491 | E491-K532 HydrophobicContact CB-CD 4.39Å; E491-K532 WeakPolarHBondContact OE2-CD 3.45Å; E491-K532 WeakPolarHBondContact OE2-CE 3.33Å; E491-K532 IonicContact OE2-NZ 2.7Å; E491-K532 PolarHBondContact OE2-NZ 3.18Å |
| 533 | L | 81.5 | Confident | 70.2 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 5% | 0.052 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.8 | 175.4 | 179.2 | 69.9 | 0 | 0 | 0 | 108.1 | K479 V492 E494 L535 | K479-L533 HydrophobicContact CD-CD2 3.97Å; V492-L533 HydrophobicContact CG2-CB 3.98Å; V492-L533 HydrophobicContact CG2-CD2 4.22Å; V492-L533 HydrophobicContact CG2-CG 4.38Å; V492-L533 WeakPolarHBondContact CG2-O 3.32Å; V492-L533 PolarHBondContact N-O 3.19Å; V492-L533 PolarHBondContact O-N 3.08Å; E494-L533 HydrophobicContact CG-CB 3.64Å; E494-L533 WeakPolarHBondContact OE1-CB 3.18Å; L533-L535 PolarHBondContact O-N 3.46Å |
| 534 | S | 87.8 | Confident | 72.6 | Confident | 51 Ų | 51 | 63.5 Ų | 63.5 | 36% | 0.357 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 119 | 166.3 | -178 | 0 | 0 | 0 | 0 | 108.7 | Q432 G490 | Q432-S534 PolarHBondContact NE2-O 3.45Å; G490-S534 CarbonylContact O-C 3.6Å; G490-S534 WeakPolarHBondContact O-CA 3.48Å |
| 535 | L | 90.8 | Very high | 74.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123 | -177.5 | -179.8 | 64.6 | 0 | 0 | 0 | 110.2 | K479 L481 D489 G490 V492 L533 L539 | K479-L535 HydrophobicContact CB-CD2 4.05Å; K479-L535 WeakPolarHBondContact O-CD2 3.32Å; L481-L535 HydrophobicContact CD2-CB 4.14Å; L481-L535 HydrophobicContact CD2-CD2 4.17Å; L481-L535 HydrophobicContact CD2-CG 4.42Å; L481-L535 HydrophobicContact CG-CD2 3.98Å; L481-L535 HydrophobicContact CG-CG 4.29Å; D489-L535 WeakPolarHBondContact CA-O 3.36Å; G490-L535 PolarHBondContact N-O 2.69Å; G490-L535 PolarHBondContact O-N 2.87Å; V492-L535 HydrophobicContact CG1-CB 4.32Å; V492-L535 HydrophobicContact CG1-CD2 3.95Å; V492-L535 HydrophobicContact CG2-CB 3.91Å; V492-L535 HydrophobicContact CG2-CD2 4.22Å; L533-L535 PolarHBondContact O-N 3.46Å; L535-L539 HydrophobicContact CD1-CD2 4.26Å |
| 536 | H | 93.8 | Very high | 77.6 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 3% | 0.032 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 133.5 | 177.5 | -172.3 | -81.6 | 0 | 0 | 0 | 110.6 | P429 Q432 R433 D489 E538 L539 S540 | P429-H536 HydrophobicContact CB-CB 4.49Å; Q432-H536 HydrophobicContact CB-CB 3.99Å; R433-H536 PolarHBondContact NE-NE2 2.8Å; R433-H536 PolarHBondContact NH2-NE2 2.9Å; D489-H536 WeakPolarHBondContact OD1-CA 3.43Å; D489-H536 WeakPolarHBondContact OD1-CB 3.22Å; D489-H536 IonicContact OD1-CD2 2.71Å; D489-H536 PolarHBondContact OD1-CD2 2.82Å; D489-H536 IonicContact OD1-CG 2.64Å; H536-E538 IonicContact CE1-OE1 3.28Å; H536-E538 PolarHBondContact ND1-N 3.46Å; H536-E538 PolarHBondContact O-N 2.96Å; H536-L539 PolarHBondContact O-N 3.07Å; H536-L539 VanDerWaalsContact O-N 3.09Å; H536-S540 PolarHBondContact O-N 2.74Å |
| 537 | R | 91.3 | Very high | 79.9 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 26% | 0.26 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -54.8 | -45.5 | -173.8 | -179.4 | 176.2 | -61.6 | -91.6 | -11.2 | 113.6 | L481 E485 G487 S488 L539 S540 D541 | L481-R537 HydrophobicContact CD1-CB 4.23Å; E485-R537 PolarHBondContact O-NH1 2.97Å; E485-R537 VanDerWaalsContact O-NH1 3.16Å; E485-R537 PolarHBondContact O-NH2 2.68Å; G487-R537 VanDerWaalsContact O-CZ 3.24Å; G487-R537 PolarHBondContact O-NE 2.82Å; G487-R537 PolarHBondContact O-NH2 3.37Å; S488-R537 WeakPolarHBondContact O-CB 3.36Å; S488-R537 PolarHBondContact O-N 3.18Å; R537-L539 PolarHBondContact O-N 2.85Å; R537-L539 VanDerWaalsContact O-N 3.1Å; R537-S540 WeakPolarHBondContact O-CA 3.32Å; R537-S540 WeakPolarHBondContact O-CB 3.2Å; R537-S540 PolarHBondContact O-N 3.41Å; R537-D541 WeakPolarHBondContact CG-OD2 3.18Å; R537-D541 VanDerWaalsContact O-CG 3.25Å; R537-D541 PolarHBondContact O-N 3.45Å |
| 538 | E | 92.8 | Very high | 82 | Confident | 71 Ų | 71 | 50.4 Ų | 50.4 | 33% | 0.332 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.8 | -30.2 | -179.2 | -75.7 | -170 | -124.1 | 0 | 0 | 114.3 | R433 A436 K440 H536 L542 | R433-E538 IonicContact NE-OE1 4Å; A436-E538 HydrophobicContact CB-CB 4.23Å; K440-E538 IonicContact NZ-OE2 2.94Å; H536-E538 IonicContact CE1-OE1 3.28Å; H536-E538 PolarHBondContact ND1-N 3.46Å; H536-E538 PolarHBondContact O-N 2.96Å; E538-L542 WeakPolarHBondContact O-CG 3.35Å |
| 539 | L | 93.8 | Very high | 83.8 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -80.5 | -42.1 | 175.5 | -178.3 | 64.5 | 0 | 0 | 0 | 110.7 | L423 H425 Q432 M435 A436 L439 L476 L535 H536 R537 D541 L542 | L423-L539 HydrophobicContact CD2-CD1 3.97Å; H425-L539 WeakPolarHBondContact NE2-CD2 3.13Å; Q432-L539 HydrophobicContact CB-CD2 4Å; Q432-L539 HydrophobicContact CG-CD2 4.03Å; M435-L539 HydrophobicContact CE-CD1 3.97Å; M435-L539 HydrophobicContact CE-CD2 3.36Å; M435-L539 HydrophobicContact CE-CG 4.32Å; A436-L539 HydrophobicContact CB-CB 4.31Å; A436-L539 HydrophobicContact CB-CD1 4.35Å; L439-L539 HydrophobicContact CD1-CD1 3.83Å; L476-L539 HydrophobicContact CD2-CD1 4.47Å; L535-L539 HydrophobicContact CD1-CD2 4.26Å; H536-L539 PolarHBondContact O-N 3.07Å; H536-L539 VanDerWaalsContact O-N 3.09Å; R537-L539 PolarHBondContact O-N 2.85Å; R537-L539 VanDerWaalsContact O-N 3.1Å; L539-D541 VanDerWaalsContact C-N 3.3Å; L539-D541 PolarHBondContact O-N 2.82Å; L539-L542 PolarHBondContact O-N 2.89Å |
| 540 | S | 92.8 | Very high | 85.4 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.6 | -42 | 174.7 | 172.5 | 0 | 0 | 0 | 0 | 112.6 | L481 H536 R537 L542 V543 | L481-S540 PolarHBondContact N-OG 2.76Å; H536-S540 PolarHBondContact O-N 2.74Å; R537-S540 WeakPolarHBondContact O-CA 3.32Å; R537-S540 WeakPolarHBondContact O-CB 3.2Å; R537-S540 PolarHBondContact O-N 3.41Å; S540-L542 PolarHBondContact O-N 2.87Å; S540-V543 WeakPolarHBondContact O-CB 3.39Å; S540-V543 PolarHBondContact O-N 2.95Å |
| 541 | D | 91 | Very high | 86.4 | Confident | 77 Ų | 77 | 42.5 Ų | 42.5 | 41% | 0.412 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -25.9 | -178 | -65.4 | -15.4 | 0 | 0 | 0 | 112.6 | R537 L539 V543 | R537-D541 WeakPolarHBondContact CG-OD2 3.18Å; R537-D541 VanDerWaalsContact O-CG 3.25Å; R537-D541 PolarHBondContact O-N 3.45Å; L539-D541 VanDerWaalsContact C-N 3.3Å; L539-D541 PolarHBondContact O-N 2.82Å; D541-V543 VanDerWaalsContact C-N 3.27Å; D541-V543 PolarHBondContact O-N 2.92Å |
| 542 | L | 92.9 | Very high | 87 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -14.9 | 174.5 | -64.5 | -179.5 | 0 | 0 | 0 | 113.2 | A436 L439 K440 L447 T449 L476 E538 L539 S540 A544 | A436-L542 HydrophobicContact CB-CD1 4.01Å; L439-L542 HydrophobicContact CB-CD1 4.02Å; L439-L542 HydrophobicContact CD1-CD1 4.17Å; K440-L542 HydrophobicContact CD-CD2 4.4Å; K440-L542 HydrophobicContact CG-CD1 4.04Å; K440-L542 HydrophobicContact CG-CD2 3.97Å; L447-L542 HydrophobicContact CD2-CD1 4.35Å; L447-L542 HydrophobicContact CD2-CD2 3.92Å; T449-L542 HydrophobicContact CG2-CD2 3.96Å; L476-L542 WeakPolarHBondContact CB-O 3.29Å; L476-L542 HydrophobicContact CD2-CB 3.85Å; E538-L542 WeakPolarHBondContact O-CG 3.35Å; L539-L542 PolarHBondContact O-N 2.89Å; S540-L542 PolarHBondContact O-N 2.87Å; L542-A544 PolarHBondContact O-N 2.78Å |
| 543 | V | 92.3 | Very high | 87.5 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 113.7 | -178 | 176 | 0 | 0 | 0 | 0 | 110.2 | L476 K479 K480 S540 D541 I545 | L476-V543 HydrophobicContact CD2-CG2 3.85Å; L476-V543 HydrophobicContact CG-CG2 4.24Å; K479-V543 WeakPolarHBondContact O-CG2 3.28Å; K480-V543 HydrophobicContact CB-CB 4.47Å; K480-V543 HydrophobicContact CB-CG1 4.32Å; K480-V543 HydrophobicContact CD-CB 4.33Å; K480-V543 HydrophobicContact CD-CG1 4.41Å; K480-V543 PolarHBondContact NZ-O 3.28Å; S540-V543 WeakPolarHBondContact O-CB 3.39Å; S540-V543 PolarHBondContact O-N 2.95Å; D541-V543 VanDerWaalsContact C-N 3.27Å; D541-V543 PolarHBondContact O-N 2.92Å; V543-I545 WeakPolarHBondContact CG1-O 3.41Å |
| 544 | A | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -35.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | Y448 L475 L476 L542 W586 | Y448-A544 HydrophobicContact CD1-CB 3.72Å; Y448-A544 HydrophobicContact CE1-CB 4.12Å; L475-A544 HydrophobicContact CB-CB 4.38Å; L475-A544 HydrophobicContact CG-CB 4.49Å; L476-A544 PolarHBondContact O-N 3.49Å; L542-A544 PolarHBondContact O-N 2.78Å; A544-W586 PolarHBondContact O-N 3.32Å |
| 545 | I | 91.6 | Very high | 87 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 110.1 | 179.8 | -52 | -178.7 | 0 | 0 | 0 | 109 | L420 L475 L476 V477 G478 V543 W586 M588 L615 | L420-I545 HydrophobicContact CD2-CD1 3.51Å; L475-I545 HydrophobicContact CD2-CD1 4.19Å; L476-I545 PolarHBondContact O-N 2.8Å; L476-I545 VanDerWaalsContact O-N 3.16Å; V477-I545 WeakPolarHBondContact CA-O 3.26Å; V477-I545 HydrophobicContact CB-CB 4.49Å; V477-I545 HydrophobicContact CG1-CB 4.21Å; V477-I545 HydrophobicContact CG1-CG2 4.24Å; V477-I545 HydrophobicContact CG2-CB 4.12Å; V477-I545 HydrophobicContact CG2-CD1 4.25Å; G478-I545 PolarHBondContact N-O 3.29Å; V543-I545 WeakPolarHBondContact CG1-O 3.41Å; I545-W586 CarbonylContact C-O 3.33Å; I545-W586 WeakPolarHBondContact CA-O 3.37Å; I545-W586 HydrophobicContact CG1-CB 4.28Å; I545-W586 HydrophobicContact CG1-CE3 4.09Å; I545-M588 HydrophobicContact CG2-CB 3.6Å; I545-L615 HydrophobicContact CD1-CD1 4.11Å |
| 546 | A | 90.7 | Very high | 86.2 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 5% | 0.05 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 134 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G478 K480 Y585 W586 T587 M588 | G478-A546 WeakPolarHBondContact O-CA 3.46Å; K480-A546 HydrophobicContact CB-CB 3.9Å; A546-Y585 HydrophobicContact CB-CD2 3.45Å; A546-Y585 VanDerWaalsContact CB-CD2 3.45Å; A546-Y585 HydrophobicContact CB-CE2 3.54Å; A546-Y585 HydrophobicContact CB-CG 4.39Å; A546-W586 PolarHBondContact N-O 3.41Å; A546-T587 CarbonylContact O-C 3.45Å; A546-T587 VanDerWaalsContact O-CA 3.24Å; A546-T587 WeakPolarHBondContact O-CA 3.36Å; A546-M588 PolarHBondContact O-N 3.4Å |
| 547 | R | 89.8 | Confident | 85.4 | Confident | 37 Ų | 37 | 38.3 Ų | 38.3 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 139.2 | 174.5 | -64.9 | 168.7 | -169.5 | -163.9 | -11.3 | 110.8 | Y422 L423 C424 V477 G478 E497 M588 | Y422-R547 HydrophobicContact CE2-CG 4.09Å; Y422-R547 VanDerWaalsContact CZ-CZ 3.42Å; L423-R547 PolarHBondContact O-NH1 3.21Å; L423-R547 PolarHBondContact O-NH2 3.03Å; C424-R547 PolarHBondContact SG-NH1 3Å; V477-R547 HydrophobicContact CG1-CG 4.09Å; V477-R547 PolarHBondContact O-NE 3.23Å; V477-R547 PolarHBondContact O-NH2 3.31Å; G478-R547 WeakPolarHBondContact O-CG 3.41Å; G478-R547 PolarHBondContact O-N 2.72Å; E497-R547 IonicContact OE1-NH1 3.17Å; R547-M588 CarbonylContact C-O 3.47Å; R547-M588 WeakPolarHBondContact CA-O 3.41Å |
| 548 | T | 84 | Confident | 84.4 | Confident | 36 Ų | 36 | 36.8 Ų | 36.8 | 22% | 0.221 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 156.4 | 170.1 | 63.4 | 0 | 0 | 0 | 0 | 110.1 | S552 T587 M588 C589 S590 | T548-S552 PolarHBondContact OG1-OG 3.2Å; T548-T587 HydrophobicContact CG2-CG2 3.94Å; T548-M588 PolarHBondContact N-O 3.37Å; T548-M588 PolarHBondContact OG1-O 3.33Å; T548-C589 WeakPolarHBondContact O-CA 3.27Å; T548-C589 WeakPolarHBondContact OG1-CA 3.42Å; T548-S590 PolarHBondContact O-N 2.7Å |
| 549 | S | 78.1 | Confident | 83.3 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 11% | 0.105 | 20% | 0.2 | C | C | . | . | trans | -89.4 | 179.6 | 177.8 | 72.9 | 0 | 0 | 0 | 0 | 112.9 | D496 R551 S552 C589 | D496-S549 WeakPolarHBondContact OD1-CB 3.4Å; D496-S549 WeakPolarHBondContact OD2-CB 3.35Å; S549-R551 PolarHBondContact O-N 3.04Å; S549-R551 VanDerWaalsContact O-N 3.16Å; S549-R551 WeakPolarHBondContact OG-CB 3.26Å; S549-R551 PolarHBondContact OG-N 2.98Å; S549-S552 WeakPolarHBondContact O-CB 3.1Å; S549-S552 PolarHBondContact O-N 2.97Å; S549-S552 VanDerWaalsContact O-N 3.07Å; S549-S552 PolarHBondContact O-OG 2.73Å; S549-C589 PolarHBondContact O-SG 2.8Å; S549-C589 VanDerWaalsContact O-SG 3.41Å | ||
| 550 | S | 76.1 | Confident | 81.9 | Confident | 20 Ų | 20 | 40.7 Ų | 40.7 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -19 | 172.8 | 66.2 | 0 | 0 | 0 | 0 | 113.6 | S552 F553 Y554 E595 | S550-S552 PolarHBondContact O-N 3.25Å; S550-S552 VanDerWaalsContact O-N 3.17Å; S550-F553 WeakPolarHBondContact O-CB 3.4Å; S550-F553 PolarHBondContact O-N 3.29Å; S550-Y554 WeakPolarHBondContact O-CD2 3.49Å; S550-Y554 PolarHBondContact O-N 2.85Å; S550-E595 WeakPolarHBondContact CB-OE1 3.2Å; S550-E595 WeakPolarHBondContact CB-OE2 3.26Å; S550-E595 VanDerWaalsContact OG-CD 3.31Å; S550-E595 PolarHBondContact OG-OE1 2.77Å; S550-E595 PolarHBondContact OG-OE2 2.8Å |
| 551 | R | 75.9 | Confident | 80.4 | Confident | 158 Ų | 158 | 45.9 Ų | 45.9 | 60% | 0.596 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -56 | -32.8 | 171.8 | -65.3 | -174.5 | -178.3 | 158.1 | 8.4 | 111.9 | E495 S549 F553 Y554 A555 | E495-R551 IonicContact OE2-CZ 3.55Å; E495-R551 IonicContact OE2-NH1 3.54Å; E495-R551 PolarHBondContact OE2-NH1 2.78Å; E495-R551 IonicContact OE2-NH2 3.77Å; E495-R551 PolarHBondContact OE2-NH2 2.88Å; S549-R551 PolarHBondContact O-N 3.04Å; S549-R551 VanDerWaalsContact O-N 3.16Å; S549-R551 WeakPolarHBondContact OG-CB 3.26Å; S549-R551 PolarHBondContact OG-N 2.98Å; R551-F553 VanDerWaalsContact C-N 3.35Å; R551-F553 PolarHBondContact O-N 3.46Å; R551-Y554 PolarHBondContact O-N 3.02Å; R551-A555 VanDerWaalsContact O-CB 3.31Å; R551-A555 WeakPolarHBondContact O-CB 3.33Å; R551-A555 PolarHBondContact O-N 3.17Å |
| 552 | S | 78.8 | Confident | 78.9 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.3 | -38.8 | 176.2 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | T548 S549 S550 Q556 | T548-S552 PolarHBondContact OG1-OG 3.2Å; S549-S552 WeakPolarHBondContact O-CB 3.1Å; S549-S552 PolarHBondContact O-N 2.97Å; S549-S552 VanDerWaalsContact O-N 3.07Å; S549-S552 PolarHBondContact O-OG 2.73Å; S550-S552 PolarHBondContact O-N 3.25Å; S550-S552 VanDerWaalsContact O-N 3.17Å; S552-Q556 WeakPolarHBondContact O-CB 3.45Å; S552-Q556 PolarHBondContact O-N 3.13Å |
| 553 | F | 81.4 | Confident | 77.1 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -50 | 173.3 | 173.5 | -95.2 | 0 | 0 | 0 | 111.2 | S550 R551 A555 Q556 R557 L599 D606 L607 F610 | S550-F553 WeakPolarHBondContact O-CB 3.4Å; S550-F553 PolarHBondContact O-N 3.29Å; R551-F553 VanDerWaalsContact C-N 3.35Å; R551-F553 PolarHBondContact O-N 3.46Å; F553-A555 PolarHBondContact O-N 3.3Å; F553-Q556 PolarHBondContact O-N 3.17Å; F553-R557 VanDerWaalsContact O-CB 3.31Å; F553-R557 WeakPolarHBondContact O-CB 3.26Å; F553-R557 PolarHBondContact O-N 3.43Å; F553-L599 HydrophobicContact CD1-CD1 4.05Å; F553-L599 HydrophobicContact CD1-CD2 3.9Å; F553-L599 HydrophobicContact CE1-CD1 4.19Å; F553-L599 HydrophobicContact CE1-CD2 3.42Å; F553-L599 VanDerWaalsContact CE1-CD2 3.42Å; F553-L599 HydrophobicContact CE1-CG 4.42Å; F553-L599 HydrophobicContact CG-CD1 4.33Å; F553-L599 HydrophobicContact CZ-CD2 4.06Å; F553-D606 HydrophobicContact CE2-CB 4.36Å; F553-D606 HydrophobicContact CZ-CB 3.88Å; F553-L607 HydrophobicContact CE2-CB 4.47Å; F553-L607 HydrophobicContact CE2-CD1 4.32Å; F553-F610 HydrophobicContact CB-CD2 4.49Å; F553-F610 HydrophobicContact CB-CE1 4.47Å; F553-F610 HydrophobicContact CB-CE2 4.15Å; F553-F610 HydrophobicContact CB-CZ 4.12Å; F553-F610 HydrophobicContact CD2-CB 3.82Å; F553-F610 AromaticContact CD2-CD1 3.84Å; F553-F610 HydrophobicContact CD2-CD1 3.84Å; F553-F610 AromaticContact CD2-CD2 3.78Å; F553-F610 HydrophobicContact CD2-CD2 3.78Å; F553-F610 HydrophobicContact CD2-CE1 4.29Å; F553-F610 HydrophobicContact CD2-CE2 4.25Å; F553-F610 AromaticContact CD2-CG 3.55Å; F553-F610 HydrophobicContact CD2-CG 3.55Å; F553-F610 HydrophobicContact CD2-CZ 4.48Å; F553-F610 HydrophobicContact CE2-CB 3.85Å; F553-F610 HydrophobicContact CE2-CG 4.12Å |
| 554 | Y | 80.5 | Confident | 75.3 | Confident | 74 Ų | 74 | 60.8 Ų | 60.8 | 29% | 0.29 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.5 | -37.7 | -178.7 | -65.6 | -65.9 | 0 | 0 | 0 | 113.2 | S550 R551 R557 G558 R598 L599 | S550-Y554 WeakPolarHBondContact O-CD2 3.49Å; S550-Y554 PolarHBondContact O-N 2.85Å; R551-Y554 PolarHBondContact O-N 3.02Å; Y554-R557 PolarHBondContact O-N 2.91Å; Y554-G558 PolarHBondContact O-N 2.77Å; Y554-R598 PolarHBondContact OH-NH2 3.13Å; Y554-L599 HydrophobicContact CE1-CD2 4.22Å; Y554-L599 WeakPolarHBondContact OH-CD2 3.38Å |
| 555 | A | 78.4 | Confident | 73.4 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R551 F553 G558 S559 | R551-A555 VanDerWaalsContact O-CB 3.31Å; R551-A555 WeakPolarHBondContact O-CB 3.33Å; R551-A555 PolarHBondContact O-N 3.17Å; F553-A555 PolarHBondContact O-N 3.3Å; A555-G558 PolarHBondContact O-N 3.1Å; A555-S559 PolarHBondContact O-N 3.2Å; A555-S559 VanDerWaalsContact O-N 3.12Å; A555-S559 PolarHBondContact O-OG 3.4Å |
| 556 | Q | 75.1 | Confident | 71.2 | Confident | 53 Ų | 53 | 76 Ų | 76 | 25% | 0.248 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 177.2 | -170.3 | 172 | 2.4 | 0 | 0 | 111.5 | S552 F553 G558 S559 Y560 F610 | S552-Q556 WeakPolarHBondContact O-CB 3.45Å; S552-Q556 PolarHBondContact O-N 3.13Å; F553-Q556 PolarHBondContact O-N 3.17Å; Q556-G558 VanDerWaalsContact C-N 3.33Å; Q556-G558 PolarHBondContact O-N 3.23Å; Q556-S559 PolarHBondContact O-N 3.36Å; Q556-Y560 HydrophobicContact CG-CD2 3.96Å; Q556-Y560 HydrophobicContact CG-CE2 3.68Å; Q556-Y560 VanDerWaalsContact O-CD2 3.28Å; Q556-Y560 WeakPolarHBondContact O-CD2 3.17Å; Q556-Y560 PolarHBondContact O-N 2.81Å; Q556-Y560 VanDerWaalsContact O-N 3.11Å; Q556-F610 HydrophobicContact CB-CD2 4.44Å; Q556-F610 HydrophobicContact CB-CE2 4.43Å |
| 557 | R | 75.5 | Confident | 68.7 | Low | 73 Ų | 73 | 80.4 Ų | 80.4 | 28% | 0.275 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 174.1 | -171.5 | -173.8 | -171.1 | -164 | 7.8 | 112.1 | F553 Y554 Y560 K561 D606 | F553-R557 VanDerWaalsContact O-CB 3.31Å; F553-R557 WeakPolarHBondContact O-CB 3.26Å; F553-R557 PolarHBondContact O-N 3.43Å; Y554-R557 PolarHBondContact O-N 2.91Å; R557-Y560 PolarHBondContact O-N 2.71Å; R557-K561 PolarHBondContact O-N 2.87Å; R557-D606 IonicContact CZ-OD2 2.79Å; R557-D606 IonicContact NE-OD2 3.72Å; R557-D606 PolarHBondContact NE-OD2 2.92Å; R557-D606 IonicContact NH2-OD2 3.41Å; R557-D606 PolarHBondContact NH2-OD2 3.23Å |
| 558 | G | 70.6 | Confident | 66.6 | Low | 38 Ų | 38 | 84.1 Ų | 84.1 | 39% | 0.392 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y554 A555 Q556 Y560 K561 Q562 | Y554-G558 PolarHBondContact O-N 2.77Å; A555-G558 PolarHBondContact O-N 3.1Å; Q556-G558 VanDerWaalsContact C-N 3.33Å; Q556-G558 PolarHBondContact O-N 3.23Å; G558-Y560 PolarHBondContact O-N 2.78Å; G558-K561 PolarHBondContact O-N 3.06Å; G558-Q562 PolarHBondContact O-N 3.29Å; G558-Q562 VanDerWaalsContact O-N 3.15Å |
| 559 | S | 70.1 | Confident | 64.7 | Low | 68 Ų | 68 | 87.5 Ų | 87.5 | 48% | 0.476 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 179.6 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | A555 Q556 Q562 T563 | A555-S559 PolarHBondContact O-N 3.2Å; A555-S559 VanDerWaalsContact O-N 3.12Å; A555-S559 PolarHBondContact O-OG 3.4Å; Q556-S559 PolarHBondContact O-N 3.36Å; S559-Q562 PolarHBondContact O-N 2.79Å; S559-T563 PolarHBondContact O-N 3.03Å; S559-T563 VanDerWaalsContact O-N 3.15Å; S559-T563 PolarHBondContact O-OG1 3.38Å |
| 560 | Y | 63.8 | Low | 62.8 | Low | 87 Ų | 87 | 92.8 Ų | 92.8 | 34% | 0.341 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 176.4 | -83.5 | -67.2 | 0 | 0 | 0 | 113 | Q556 R557 G558 Q562 T563 Q564 R613 | Q556-Y560 HydrophobicContact CG-CD2 3.96Å; Q556-Y560 HydrophobicContact CG-CE2 3.68Å; Q556-Y560 VanDerWaalsContact O-CD2 3.28Å; Q556-Y560 WeakPolarHBondContact O-CD2 3.17Å; Q556-Y560 PolarHBondContact O-N 2.81Å; Q556-Y560 VanDerWaalsContact O-N 3.11Å; R557-Y560 PolarHBondContact O-N 2.71Å; G558-Y560 PolarHBondContact O-N 2.78Å; Y560-Q562 VanDerWaalsContact C-N 3.27Å; Y560-Q562 PolarHBondContact O-N 2.9Å; Y560-T563 PolarHBondContact O-N 3.31Å; Y560-Q564 PolarHBondContact O-N 3.09Å; Y560-Q564 VanDerWaalsContact O-N 3.12Å; Y560-R613 PolarHBondContact OH-NH1 2.88Å |
| 561 | K | 62.4 | Low | 61.4 | Low | 110 Ų | 110 | 95.6 Ų | 95.6 | 48% | 0.478 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -35.8 | 176.9 | -73.8 | -173.6 | 177 | -173.6 | 0 | 112.1 | R557 G558 Q565 | R557-K561 PolarHBondContact O-N 2.87Å; G558-K561 PolarHBondContact O-N 3.06Å; K561-Q565 WeakPolarHBondContact O-CG 3.31Å; K561-Q565 PolarHBondContact O-N 3.37Å |
| 562 | Q | 58.4 | Low | 59.8 | Low | 137 Ų | 137 | 94.5 Ų | 94.5 | 64% | 0.64 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70 | -34.2 | 177.7 | -150.7 | 167.2 | 22.7 | 0 | 0 | 112.3 | G558 S559 Y560 | G558-Q562 PolarHBondContact O-N 3.29Å; G558-Q562 VanDerWaalsContact O-N 3.15Å; S559-Q562 PolarHBondContact O-N 2.79Å; Y560-Q562 VanDerWaalsContact C-N 3.27Å; Y560-Q562 PolarHBondContact O-N 2.9Å |
| 563 | T | 56.2 | Low | 57.9 | Low | 97 Ų | 97 | 97.7 Ų | 97.7 | 60% | 0.595 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.1 | -34.4 | 177.6 | -49.4 | 0 | 0 | 0 | 0 | 112.4 | S559 Y560 Q565 | S559-T563 PolarHBondContact O-N 3.03Å; S559-T563 VanDerWaalsContact O-N 3.15Å; S559-T563 PolarHBondContact O-OG1 3.38Å; Y560-T563 PolarHBondContact O-N 3.31Å; T563-Q565 VanDerWaalsContact C-N 3.35Å |
| 564 | Q | 54.3 | Low | 55.9 | Low | 168 Ų | 168 | 102.7 Ų | 102.7 | 79% | 0.785 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.6 | -19.7 | 176.4 | -75.8 | -174.9 | 11 | 0 | 0 | 114.2 | Y560 | Y560-Q564 PolarHBondContact O-N 3.09Å; Y560-Q564 VanDerWaalsContact O-N 3.12Å |
| 565 | Q | 50.5 | Low | 54.2 | Low | 167 Ų | 167 | 106 Ų | 106 | 78% | 0.78 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -7.1 | 178.2 | -76.1 | 179.4 | -3.1 | 0 | 0 | 113.9 | K561 T563 | K561-Q565 WeakPolarHBondContact O-CG 3.31Å; K561-Q565 PolarHBondContact O-N 3.37Å; T563-Q565 VanDerWaalsContact C-N 3.35Å |
| 566 | Q | 45.2 | Very low | 52.5 | Low | 152 Ų | 152 | 106.1 Ų | 106.1 | 71% | 0.71 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -88.5 | 119.3 | 173 | -68.6 | -178.9 | -4 | 0 | 0 | 110.1 | ||
| 567 | S | 38.5 | Very low | 50.6 | Low | 100 Ų | 100 | 108.9 Ų | 108.9 | 70% | 0.699 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 161.7 | 174.7 | -2.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 568 | P | 45.1 | Very low | 48.6 | Very low | 115 Ų | 115 | 111.2 Ų | 111.2 | 75% | 0.747 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 139.1 | -179.8 | 26.1 | -32.7 | 0 | 0 | 0 | 109.9 | S570 | P568-S570 PolarHBondContact O-N 3.19Å; P568-S570 VanDerWaalsContact O-N 3.17Å |
| 569 | P | 43.8 | Very low | 47.1 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 69% | 0.688 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -67 | 121.3 | -174.7 | 26.6 | -31.8 | 0 | 0 | 0 | 109.2 | S571 | P569-S571 PolarHBondContact O-N 2.89Å; P569-S571 VanDerWaalsContact O-N 3.14Å |
| 570 | S | 39.1 | Very low | 45.8 | Very low | 126 Ų | 126 | 116.9 Ų | 116.9 | 88% | 0.881 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -76.4 | 17.5 | 173.8 | 43.4 | 0 | 0 | 0 | 0 | 113 | P568 | P568-S570 PolarHBondContact O-N 3.19Å; P568-S570 VanDerWaalsContact O-N 3.17Å |
| 571 | S | 45.7 | Very low | 44.8 | Very low | 79 Ų | 79 | 118.5 Ų | 118.5 | 55% | 0.552 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -158.7 | 143.2 | 178.1 | -49.9 | 0 | 0 | 0 | 0 | 110.1 | P569 S573 | P569-S571 PolarHBondContact O-N 2.89Å; P569-S571 VanDerWaalsContact O-N 3.14Å; S571-S573 PolarHBondContact O-N 2.96Å |
| 572 | P | 42.6 | Very low | 44.3 | Very low | 135 Ų | 135 | 120.3 Ų | 120.3 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | trans | -67.4 | 105.8 | 170.5 | 28.1 | -29.5 | 0 | 0 | 0 | 107.8 | ||||
| 573 | S | 38.6 | Very low | 44.2 | Very low | 102 Ų | 102 | 119 Ų | 119 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | -72.1 | 134.4 | 175.3 | 40.6 | 0 | 0 | 0 | 0 | 110.3 | S571 | S571-S573 PolarHBondContact O-N 2.96Š| ||
| 574 | S | 39.6 | Very low | 44.5 | Very low | 107 Ų | 107 | 118.3 Ų | 118.3 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -50.5 | 148.1 | 173.4 | -51.7 | 0 | 0 | 0 | 0 | 112.4 | G576 | S574-G576 PolarHBondContact O-N 2.85Š| ||
| 575 | P | 45 | Very low | 45.2 | Very low | 143 Ų | 143 | 112.3 Ų | 112.3 | 93% | 0.929 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -71.6 | 98.3 | 179.5 | 29.5 | -31.6 | 0 | 0 | 0 | 109.3 | ||
| 576 | G | 41.5 | Very low | 46.9 | Very low | 65 Ų | 65 | 106.6 Ų | 106.6 | 67% | 0.67 | 67% | 0.673 | S | S | * | * | trans | -171.3 | 21.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | S574 P578 | S574-G576 PolarHBondContact O-N 2.85Å; G576-P578 WeakPolarHBondContact O-CD 3.28Å | ||
| 577 | S | 35.7 | Very low | 48.9 | Very low | 112 Ų | 112 | 101.4 Ų | 101.4 | 78% | 0.783 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 120.9 | 163.4 | -47.5 | 0 | 0 | 0 | 0 | 107.7 | V579 | S577-V579 PolarHBondContact O-N 2.98Å; S577-V579 VanDerWaalsContact O-N 3.07Å |
| 578 | P | 34.4 | Very low | 51.4 | Low | 122 Ų | 122 | 96.7 Ų | 96.7 | 79% | 0.792 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 118 | 175.3 | 24.3 | -30.1 | 0 | 0 | 0 | 108 | G576 | G576-P578 WeakPolarHBondContact O-CD 3.28Š|
| 579 | V | 39.1 | Very low | 53.6 | Low | 119 Ų | 119 | 91.2 Ų | 91.2 | 72% | 0.721 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 129.4 | 166.2 | -179.8 | 0 | 0 | 0 | 0 | 106.2 | S577 | S577-V579 PolarHBondContact O-N 2.98Å; S577-V579 VanDerWaalsContact O-N 3.07Å |
| 580 | P | 42.6 | Very low | 55.8 | Low | 106 Ų | 106 | 87 Ų | 87 | 69% | 0.688 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -52 | 135.2 | 173.9 | -20.5 | 29.8 | 0 | 0 | 0 | 108.5 | E582 | P580-E582 PolarHBondContact O-N 3.41Š|
| 581 | P | 42.9 | Very low | 58.2 | Low | 121 Ų | 121 | 81.1 Ų | 81.1 | 79% | 0.786 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 131.5 | -179.1 | 20.4 | -30.1 | 0 | 0 | 0 | 109.7 | L583 | P581-L583 PolarHBondContact O-N 3.06Å; P581-L583 VanDerWaalsContact O-N 3.16Å |
| 582 | E | 52 | Low | 60.2 | Low | 148 Ų | 148 | 77.8 Ų | 77.8 | 69% | 0.692 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 120.2 | 176.4 | -71.7 | -176.7 | 164.3 | 0 | 0 | 108.7 | A461 P580 | A461-E582 WeakPolarHBondContact CB-OE1 3.15Å; P580-E582 PolarHBondContact O-N 3.41Å |
| 583 | L | 56.4 | Low | 62.3 | Low | 108 Ų | 108 | 72.7 Ų | 72.7 | 57% | 0.565 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 130.3 | 171 | -71.6 | 170 | 0 | 0 | 0 | 107.8 | P581 Y585 T587 | P581-L583 PolarHBondContact O-N 3.06Å; P581-L583 VanDerWaalsContact O-N 3.16Å; L583-Y585 PolarHBondContact O-N 2.91Å; L583-T587 HydrophobicContact CD1-CG2 4.47Å |
| 584 | P | 61 | Low | 64.5 | Low | 83 Ų | 83 | 70.8 Ų | 70.8 | 54% | 0.539 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -72.2 | 10.5 | -177.4 | 27.5 | -31.7 | 0 | 0 | 0 | 113.5 | ||
| 585 | Y | 69.9 | Low | 66.7 | Low | 43 Ų | 43 | 68.2 Ų | 68.2 | 17% | 0.169 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -152.3 | 155.7 | -177.3 | 50.6 | -98.3 | 0 | 0 | 0 | 110.9 | K480 A546 L583 T587 | K480-Y585 HydrophobicContact CD-CD1 3.55Å; K480-Y585 HydrophobicContact CD-CD2 4.27Å; K480-Y585 HydrophobicContact CD-CE1 4.03Å; K480-Y585 HydrophobicContact CD-CG 3.68Å; K480-Y585 HydrophobicContact CG-CD1 4.44Å; K480-Y585 HydrophobicContact CG-CE1 4.46Å; A546-Y585 HydrophobicContact CB-CD2 3.45Å; A546-Y585 VanDerWaalsContact CB-CD2 3.45Å; A546-Y585 HydrophobicContact CB-CE2 3.54Å; A546-Y585 HydrophobicContact CB-CG 4.39Å; L583-Y585 PolarHBondContact O-N 2.91Å; Y585-T587 HydrophobicContact CD2-CG2 4.34Å; Y585-T587 HydrophobicContact CE2-CG2 4.26Å |
| 586 | W | 85.8 | Confident | 68.8 | Low | 46 Ų | 46 | 61.4 Ų | 61.4 | 17% | 0.174 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 159.8 | 174.9 | -55.6 | -45.7 | 0 | 0 | 0 | 111.2 | Y448 L464 P465 L475 A544 I545 A546 | Y448-W586 HydrophobicContact CD1-CZ3 4.28Å; Y448-W586 AromaticContact CE1-CH2 3.62Å; Y448-W586 HydrophobicContact CE1-CH2 3.62Å; Y448-W586 AromaticContact CE1-CZ3 3.51Å; Y448-W586 HydrophobicContact CE1-CZ3 3.51Å; Y448-W586 AromaticContact CZ-CH2 3.54Å; Y448-W586 AromaticContact CZ-CZ3 3.94Å; Y448-W586 WeakPolarHBondContact OH-CH2 3.48Å; L464-W586 HydrophobicContact CD2-CB 3.78Å; L464-W586 HydrophobicContact CD2-CD2 4.28Å; L464-W586 HydrophobicContact CD2-CG 3.73Å; P465-W586 HydrophobicContact CB-CH2 4.23Å; P465-W586 HydrophobicContact CB-CZ2 4.29Å; P465-W586 VanDerWaalsContact CD-CZ2 3.47Å; P465-W586 HydrophobicContact CG-CE3 4.35Å; P465-W586 HydrophobicContact CG-CH2 3.45Å; P465-W586 VanDerWaalsContact CG-CH2 3.45Å; P465-W586 HydrophobicContact CG-CZ2 3.65Å; P465-W586 HydrophobicContact CG-CZ3 3.83Å; L475-W586 HydrophobicContact CD2-CE3 4.47Å; L475-W586 HydrophobicContact CD2-CZ3 3.95Å; A544-W586 PolarHBondContact O-N 3.32Å; I545-W586 CarbonylContact C-O 3.33Å; I545-W586 WeakPolarHBondContact CA-O 3.37Å; I545-W586 HydrophobicContact CG1-CB 4.28Å; I545-W586 HydrophobicContact CG1-CE3 4.09Å; A546-W586 PolarHBondContact N-O 3.41Å |
| 587 | T | 87.2 | Confident | 71 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 26% | 0.264 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 150 | 179.2 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | A546 T548 L583 Y585 | A546-T587 CarbonylContact O-C 3.45Å; A546-T587 VanDerWaalsContact O-CA 3.24Å; A546-T587 WeakPolarHBondContact O-CA 3.36Å; T548-T587 HydrophobicContact CG2-CG2 3.94Å; L583-T587 HydrophobicContact CD1-CG2 4.47Å; Y585-T587 HydrophobicContact CD2-CG2 4.34Å; Y585-T587 HydrophobicContact CE2-CG2 4.26Å |
| 588 | M | 91.8 | Very high | 73.5 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 125 | 172.3 | 176.3 | -175.6 | -63.8 | 0 | 0 | 110 | Y422 V477 I545 A546 R547 T548 L615 R617 L642 | Y422-M588 HydrophobicContact CD2-SD 4.36Å; Y422-M588 HydrophobicContact CE2-SD 4.28Å; V477-M588 HydrophobicContact CG1-CB 4.47Å; V477-M588 HydrophobicContact CG1-CE 4.18Å; V477-M588 HydrophobicContact CG1-SD 3.92Å; V477-M588 HydrophobicContact CG2-CE 4.24Å; I545-M588 HydrophobicContact CG2-CB 3.6Å; A546-M588 PolarHBondContact O-N 3.4Å; R547-M588 CarbonylContact C-O 3.47Å; R547-M588 WeakPolarHBondContact CA-O 3.41Å; T548-M588 PolarHBondContact N-O 3.37Å; T548-M588 PolarHBondContact OG1-O 3.33Å; M588-L615 CarbonylContact C-O 3.2Å; M588-L615 WeakPolarHBondContact CA-O 3.08Å; M588-L615 HydrophobicContact CB-CB 4.16Å; M588-L615 HydrophobicContact CE-CB 4.21Å; M588-L615 HydrophobicContact CE-CD1 4.17Å; M588-L615 HydrophobicContact CG-CB 4.05Å; M588-R617 HydrophobicContact CG-CB 4.42Å; M588-R617 HydrophobicContact SD-CB 3.99Å; M588-L642 HydrophobicContact CE-CD1 3.76Å; M588-L642 HydrophobicContact CE-CD2 4.14Å; M588-L642 HydrophobicContact SD-CD1 4.22Å |
| 589 | C | 91.8 | Very high | 76.1 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 119.4 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | T548 S549 F610 T614 L615 T616 R617 | T548-C589 WeakPolarHBondContact O-CA 3.27Å; T548-C589 WeakPolarHBondContact OG1-CA 3.42Å; S549-C589 PolarHBondContact O-SG 2.8Å; S549-C589 VanDerWaalsContact O-SG 3.41Å; C589-F610 HydrophobicContact CB-CE1 3.87Å; C589-F610 HydrophobicContact CB-CZ 3.85Å; C589-T614 HydrophobicContact CB-CG2 4.33Å; C589-L615 PolarHBondContact N-O 3.41Å; C589-T616 CarbonylContact O-C 3.59Å; C589-T616 VanDerWaalsContact O-CA 3.31Å; C589-T616 WeakPolarHBondContact O-CA 3.5Å; C589-R617 PolarHBondContact O-N 3.27Å |
| 590 | S | 90.3 | Very high | 78.5 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123 | 175 | -172.1 | 0 | 0 | 0 | 0 | 110.6 | Y422 T548 | Y422-S590 PolarHBondContact OH-OG 3.23Å; T548-S590 PolarHBondContact O-N 2.7Å |
| 591 | L | 89.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 140.2 | -177 | -57.5 | 174.7 | 0 | 0 | 0 | 110.8 | A596 L599 T616 R617 V618 R619 | L591-A596 HydrophobicContact CB-CB 3.99Å; L591-A596 HydrophobicContact CD1-CB 4.2Å; L591-L599 HydrophobicContact CD1-CD1 3.97Å; L591-L599 HydrophobicContact CD2-CD1 4.38Å; L591-T616 HydrophobicContact CD1-CG2 3.7Å; L591-T616 HydrophobicContact CG-CG2 4.2Å; L591-R617 PolarHBondContact N-O 3.19Å; L591-V618 HydrophobicContact CB-CG2 4.42Å; L591-V618 WeakPolarHBondContact O-CA 3.44Å; L591-R619 WeakPolarHBondContact O-CG 3.38Å; L591-R619 PolarHBondContact O-N 2.97Å |
| 592 | G | 86.6 | Confident | 82.7 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 149.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G594 E595 A596 | G592-G594 VanDerWaalsContact C-N 3.29Å; G592-G594 PolarHBondContact O-N 2.75Å; G592-E595 PolarHBondContact O-N 2.81Å; G592-E595 VanDerWaalsContact O-N 3.07Å; G592-A596 WeakPolarHBondContact O-CB 3.44Å; G592-A596 PolarHBondContact O-N 2.86Å |
| 593 | E | 86.9 | Confident | 84.4 | Confident | 29 Ų | 29 | 39.9 Ų | 39.9 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -45.4 | -48.9 | -179.8 | -171.2 | -174.6 | 156.5 | 0 | 0 | 113.7 | G597 R619 S621 R624 P630 Y635 | E593-G597 PolarHBondContact O-N 2.97Å; E593-R619 WeakPolarHBondContact CB-O 3.24Å; E593-R619 PolarHBondContact N-O 3.01Å; E593-S621 WeakPolarHBondContact OE2-CB 3.42Å; E593-S621 PolarHBondContact OE2-N 3.39Å; E593-R624 IonicContact OE1-CZ 3.07Å; E593-R624 IonicContact OE1-NE 2.71Å; E593-R624 PolarHBondContact OE1-NE 3.3Å; E593-R624 IonicContact OE1-NH2 3.67Å; E593-R624 PolarHBondContact OE1-NH2 3.19Å; E593-R624 WeakPolarHBondContact OE2-CD 3.28Å; E593-R624 IonicContact OE2-CZ 2.79Å; E593-R624 IonicContact OE2-NE 2.65Å; E593-R624 PolarHBondContact OE2-NE 3.28Å; E593-R624 IonicContact OE2-NH2 3.07Å; E593-P630 HydrophobicContact CG-CB 3.96Å; E593-Y635 WeakPolarHBondContact CG-OH 3.3Å; E593-Y635 PolarHBondContact O-OH 2.89Å |
| 594 | G | 84.7 | Confident | 86 | Confident | 62 Ų | 62 | 35.1 Ų | 35.1 | 64% | 0.639 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -68.3 | -36.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G592 R598 | G592-G594 VanDerWaalsContact C-N 3.29Å; G592-G594 PolarHBondContact O-N 2.75Å; G594-R598 PolarHBondContact O-N 3.49Å; G594-R598 VanDerWaalsContact O-N 3.1Å |
| 595 | E | 85.3 | Confident | 87.3 | Confident | 52 Ų | 52 | 33.6 Ų | 33.6 | 24% | 0.243 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -73.4 | -45 | 177 | -176.6 | 174.6 | -146.9 | 0 | 0 | 111.5 | S550 G592 G597 R598 L599 | S550-E595 WeakPolarHBondContact CB-OE1 3.2Å; S550-E595 WeakPolarHBondContact CB-OE2 3.26Å; S550-E595 VanDerWaalsContact OG-CD 3.31Å; S550-E595 PolarHBondContact OG-OE1 2.77Å; S550-E595 PolarHBondContact OG-OE2 2.8Å; G592-E595 PolarHBondContact O-N 2.81Å; G592-E595 VanDerWaalsContact O-N 3.07Å; E595-G597 VanDerWaalsContact C-N 3.26Å; E595-G597 PolarHBondContact O-N 2.83Å; E595-R598 WeakPolarHBondContact O-CB 3.35Å; E595-R598 PolarHBondContact O-N 3.41Å; E595-R598 VanDerWaalsContact O-N 3.17Å; E595-L599 WeakPolarHBondContact O-CG 3.33Å; E595-L599 PolarHBondContact O-N 2.98Å |
| 596 | A | 89.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.5 | -38.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L591 G592 L599 T600 V618 Y635 | L591-A596 HydrophobicContact CB-CB 3.99Å; L591-A596 HydrophobicContact CD1-CB 4.2Å; G592-A596 WeakPolarHBondContact O-CB 3.44Å; G592-A596 PolarHBondContact O-N 2.86Å; A596-L599 PolarHBondContact O-N 2.91Å; A596-T600 WeakPolarHBondContact O-CB 2.94Å; A596-T600 PolarHBondContact O-N 3.37Å; A596-T600 PolarHBondContact O-OG1 3.33Å; A596-V618 HydrophobicContact CB-CB 4.45Å; A596-V618 HydrophobicContact CB-CG1 4.09Å; A596-V618 HydrophobicContact CB-CG2 3.49Å; A596-V618 VanDerWaalsContact CB-CG2 3.49Å; A596-Y635 HydrophobicContact CB-CD1 3.83Å; A596-Y635 HydrophobicContact CB-CE1 3.65Å |
| 597 | G | 88.7 | Confident | 88.5 | Confident | 28 Ų | 28 | 32 Ų | 32 | 29% | 0.289 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E593 E595 L599 T600 S601 | E593-G597 PolarHBondContact O-N 2.97Å; E595-G597 VanDerWaalsContact C-N 3.26Å; E595-G597 PolarHBondContact O-N 2.83Å; G597-L599 PolarHBondContact O-N 2.83Å; G597-T600 PolarHBondContact O-N 3.3Å; G597-S601 PolarHBondContact O-N 2.99Å; G597-S601 PolarHBondContact O-OG 3.01Å |
| 598 | R | 88.2 | Confident | 88.7 | Confident | 104 Ų | 104 | 30 Ų | 30 | 39% | 0.392 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 176.5 | -173.1 | 175.4 | 64.1 | 103.1 | -6.7 | 112.8 | Y554 G594 E595 T600 S601 E602 | Y554-R598 PolarHBondContact OH-NH2 3.13Å; G594-R598 PolarHBondContact O-N 3.49Å; G594-R598 VanDerWaalsContact O-N 3.1Å; E595-R598 WeakPolarHBondContact O-CB 3.35Å; E595-R598 PolarHBondContact O-N 3.41Å; E595-R598 VanDerWaalsContact O-N 3.17Å; R598-T600 VanDerWaalsContact C-N 3.28Å; R598-T600 PolarHBondContact O-N 2.83Å; R598-S601 PolarHBondContact O-N 2.87Å; R598-S601 PolarHBondContact O-OG 3.2Å; R598-E602 WeakPolarHBondContact CD-OE1 3.48Å; R598-E602 HydrophobicContact CG-CG 3.93Å; R598-E602 WeakPolarHBondContact CG-OE1 3.13Å; R598-E602 VanDerWaalsContact CG-OE2 3.29Å; R598-E602 WeakPolarHBondContact CG-OE2 3.42Å; R598-E602 IonicContact NH1-OE2 3.49Å; R598-E602 PolarHBondContact NH1-OE2 3.13Å; R598-E602 VanDerWaalsContact NH1-OE2 3.14Å; R598-E602 VanDerWaalsContact O-CB 3.3Å; R598-E602 WeakPolarHBondContact O-CB 3.31Å; R598-E602 WeakPolarHBondContact O-CG 3.29Å; R598-E602 PolarHBondContact O-N 2.79Å |
| 599 | L | 88.1 | Confident | 88.6 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -37.4 | 177.3 | -71.2 | -179.9 | 0 | 0 | 0 | 112 | F553 Y554 L591 E595 A596 G597 S601 S603 L607 | F553-L599 HydrophobicContact CD1-CD1 4.05Å; F553-L599 HydrophobicContact CD1-CD2 3.9Å; F553-L599 HydrophobicContact CE1-CD1 4.19Å; F553-L599 HydrophobicContact CE1-CD2 3.42Å; F553-L599 VanDerWaalsContact CE1-CD2 3.42Å; F553-L599 HydrophobicContact CE1-CG 4.42Å; F553-L599 HydrophobicContact CG-CD1 4.33Å; F553-L599 HydrophobicContact CZ-CD2 4.06Å; Y554-L599 HydrophobicContact CE1-CD2 4.22Å; Y554-L599 WeakPolarHBondContact OH-CD2 3.38Å; L591-L599 HydrophobicContact CD1-CD1 3.97Å; L591-L599 HydrophobicContact CD2-CD1 4.38Å; E595-L599 WeakPolarHBondContact O-CG 3.33Å; E595-L599 PolarHBondContact O-N 2.98Å; A596-L599 PolarHBondContact O-N 2.91Å; G597-L599 PolarHBondContact O-N 2.83Å; L599-S601 VanDerWaalsContact C-N 3.34Å; L599-S603 CarbonylContact O-C 3.54Å; L599-S603 WeakPolarHBondContact O-CA 3.43Å; L599-S603 PolarHBondContact O-N 2.85Å; L599-S603 PolarHBondContact O-OG 3.4Å; L599-L607 HydrophobicContact CB-CD2 4.26Å |
| 600 | T | 89 | Confident | 88.4 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.7 | -33.5 | 177.9 | -56 | 0 | 0 | 0 | 0 | 111.8 | A596 G597 R598 P604 G634 K637 H686 | A596-T600 WeakPolarHBondContact O-CB 2.94Å; A596-T600 PolarHBondContact O-N 3.37Å; A596-T600 PolarHBondContact O-OG1 3.33Å; G597-T600 PolarHBondContact O-N 3.3Å; R598-T600 VanDerWaalsContact C-N 3.28Å; R598-T600 PolarHBondContact O-N 2.83Å; T600-P604 WeakPolarHBondContact O-CB 3.29Å; T600-G634 WeakPolarHBondContact CG2-O 3.37Å; T600-K637 HydrophobicContact CG2-CD 4.43Å; T600-K637 HydrophobicContact CG2-CG 4.23Å; T600-H686 PolarHBondContact O-CE1 2.95Å |
| 601 | S | 86.8 | Confident | 88.5 | Confident | 74 Ų | 74 | 32 Ų | 32 | 52% | 0.517 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -84.2 | -44.6 | 178 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | G597 R598 L599 | G597-S601 PolarHBondContact O-N 2.99Å; G597-S601 PolarHBondContact O-OG 3.01Å; R598-S601 PolarHBondContact O-N 2.87Å; R598-S601 PolarHBondContact O-OG 3.2Å; L599-S601 VanDerWaalsContact C-N 3.34Å |
| 602 | E | 88.3 | Confident | 88.5 | Confident | 126 Ų | 126 | 32.8 Ų | 32.8 | 59% | 0.589 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -86.7 | -29.8 | -172.4 | -65.8 | 179.1 | 179 | 0 | 0 | 113.3 | R598 | R598-E602 WeakPolarHBondContact CD-OE1 3.48Å; R598-E602 HydrophobicContact CG-CG 3.93Å; R598-E602 WeakPolarHBondContact CG-OE1 3.13Å; R598-E602 VanDerWaalsContact CG-OE2 3.29Å; R598-E602 WeakPolarHBondContact CG-OE2 3.42Å; R598-E602 IonicContact NH1-OE2 3.49Å; R598-E602 PolarHBondContact NH1-OE2 3.13Å; R598-E602 VanDerWaalsContact NH1-OE2 3.14Å; R598-E602 VanDerWaalsContact O-CB 3.3Å; R598-E602 WeakPolarHBondContact O-CB 3.31Å; R598-E602 WeakPolarHBondContact O-CG 3.29Å; R598-E602 PolarHBondContact O-N 2.79Å |
| 603 | S | 87.8 | Confident | 88.4 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | trans | -146.1 | 56.5 | -175.1 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | L599 E605 D606 L607 | L599-S603 CarbonylContact O-C 3.54Å; L599-S603 WeakPolarHBondContact O-CA 3.43Å; L599-S603 PolarHBondContact O-N 2.85Å; L599-S603 PolarHBondContact O-OG 3.4Å; S603-E605 VanDerWaalsContact C-N 3.3Å; S603-E605 PolarHBondContact O-N 3.41Å; S603-D606 PolarHBondContact O-N 3.09Å; S603-L607 PolarHBondContact O-N 3.09Å; S603-L607 VanDerWaalsContact O-N 3.13Å | ||
| 604 | P | 89.1 | Confident | 88.5 | Confident | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.045 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.9 | -37.1 | -175.9 | 22.1 | -31.8 | 0 | 0 | 0 | 112.9 | T600 L607 V608 | T600-P604 WeakPolarHBondContact O-CB 3.29Å; P604-L607 PolarHBondContact O-N 3.49Å; P604-V608 VanDerWaalsContact O-CG2 3.3Å; P604-V608 WeakPolarHBondContact O-CG2 3.49Å; P604-V608 PolarHBondContact O-N 2.65Å |
| 605 | E | 88.4 | Confident | 88.9 | Confident | 51 Ų | 51 | 34.1 Ų | 34.1 | 24% | 0.238 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.1 | -43.1 | -176.8 | -54 | 88.6 | -178 | 0 | 0 | 111.7 | S603 L607 V608 V609 Y682 S684 | S603-E605 VanDerWaalsContact C-N 3.3Å; S603-E605 PolarHBondContact O-N 3.41Å; E605-L607 VanDerWaalsContact C-N 3.26Å; E605-L607 PolarHBondContact O-N 3.18Å; E605-V608 PolarHBondContact O-N 2.79Å; E605-V609 WeakPolarHBondContact O-CG2 3.46Å; E605-V609 PolarHBondContact O-N 3.24Å; E605-Y682 HydrophobicContact CB-CE2 4.08Å; E605-Y682 HydrophobicContact CG-CE1 4.41Å; E605-Y682 HydrophobicContact CG-CE2 4.06Å; E605-Y682 WeakPolarHBondContact CG-OH 3.45Å; E605-S684 WeakPolarHBondContact OE1-CB 3.39Å; E605-S684 PolarHBondContact OE1-OG 3.32Å |
| 606 | D | 89.1 | Confident | 89.4 | Confident | 55 Ų | 55 | 31.6 Ų | 31.6 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 176 | -68.1 | -31 | 0 | 0 | 0 | 110.5 | F553 R557 S603 V609 F610 | F553-D606 HydrophobicContact CE2-CB 4.36Å; F553-D606 HydrophobicContact CZ-CB 3.88Å; R557-D606 IonicContact CZ-OD2 2.79Å; R557-D606 IonicContact NE-OD2 3.72Å; R557-D606 PolarHBondContact NE-OD2 2.92Å; R557-D606 IonicContact NH2-OD2 3.41Å; R557-D606 PolarHBondContact NH2-OD2 3.23Å; S603-D606 PolarHBondContact O-N 3.09Å; D606-V609 PolarHBondContact O-N 2.98Å; D606-F610 VanDerWaalsContact O-CB 3.29Å; D606-F610 WeakPolarHBondContact O-CB 3.26Å; D606-F610 PolarHBondContact O-N 2.84Å |
| 607 | L | 91.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -44.4 | 176.9 | -176 | 61.2 | 0 | 0 | 0 | 112.2 | F553 L599 S603 P604 E605 V609 F610 T611 V640 | F553-L607 HydrophobicContact CE2-CB 4.47Å; F553-L607 HydrophobicContact CE2-CD1 4.32Å; L599-L607 HydrophobicContact CB-CD2 4.26Å; S603-L607 PolarHBondContact O-N 3.09Å; S603-L607 VanDerWaalsContact O-N 3.13Å; P604-L607 PolarHBondContact O-N 3.49Å; E605-L607 VanDerWaalsContact C-N 3.26Å; E605-L607 PolarHBondContact O-N 3.18Å; L607-V609 VanDerWaalsContact C-N 3.35Å; L607-V609 PolarHBondContact O-N 3.5Å; L607-F610 PolarHBondContact O-N 2.69Å; L607-T611 HydrophobicContact CD1-CG2 4.27Å; L607-T611 VanDerWaalsContact O-CG2 3.28Å; L607-T611 WeakPolarHBondContact O-CG2 3.23Å; L607-T611 PolarHBondContact O-N 3.32Å; L607-T611 PolarHBondContact O-OG1 2.84Å; L607-V640 HydrophobicContact CD2-CG2 4.48Å |
| 608 | V | 91.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | P604 E605 F610 T611 K612 M676 F683 | P604-V608 VanDerWaalsContact O-CG2 3.3Å; P604-V608 WeakPolarHBondContact O-CG2 3.49Å; P604-V608 PolarHBondContact O-N 2.65Å; E605-V608 PolarHBondContact O-N 2.79Å; V608-F610 PolarHBondContact O-N 3.25Å; V608-T611 PolarHBondContact O-N 2.98Å; V608-T611 PolarHBondContact O-OG1 3.46Å; V608-K612 PolarHBondContact O-N 3.38Å; V608-M676 HydrophobicContact CG1-CB 4.48Å; V608-M676 HydrophobicContact CG1-CG 4.17Å; V608-F683 HydrophobicContact CG1-CB 4.47Å; V608-F683 HydrophobicContact CG1-CD1 4.26Å; V608-F683 HydrophobicContact CG2-CD1 4.01Å |
| 609 | V | 88.9 | Confident | 90.1 | Very high | 55 Ų | 55 | 26.9 Ų | 26.9 | 33% | 0.333 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.5 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | E605 D606 L607 K612 | E605-V609 WeakPolarHBondContact O-CG2 3.46Å; E605-V609 PolarHBondContact O-N 3.24Å; D606-V609 PolarHBondContact O-N 2.98Å; L607-V609 VanDerWaalsContact C-N 3.35Å; L607-V609 PolarHBondContact O-N 3.5Å; V609-K612 WeakPolarHBondContact O-CB 3.47Å; V609-K612 PolarHBondContact O-N 3.3Å |
| 610 | F | 89.5 | Confident | 90.2 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 176.7 | 178.8 | -102.1 | 0 | 0 | 0 | 112 | F553 Q556 C589 D606 L607 V608 K612 R613 T614 T616 | F553-F610 HydrophobicContact CB-CD2 4.49Å; F553-F610 HydrophobicContact CB-CE1 4.47Å; F553-F610 HydrophobicContact CB-CE2 4.15Å; F553-F610 HydrophobicContact CB-CZ 4.12Å; F553-F610 HydrophobicContact CD2-CB 3.82Å; F553-F610 AromaticContact CD2-CD1 3.84Å; F553-F610 HydrophobicContact CD2-CD1 3.84Å; F553-F610 AromaticContact CD2-CD2 3.78Å; F553-F610 HydrophobicContact CD2-CD2 3.78Å; F553-F610 HydrophobicContact CD2-CE1 4.29Å; F553-F610 HydrophobicContact CD2-CE2 4.25Å; F553-F610 AromaticContact CD2-CG 3.55Å; F553-F610 HydrophobicContact CD2-CG 3.55Å; F553-F610 HydrophobicContact CD2-CZ 4.48Å; F553-F610 HydrophobicContact CE2-CB 3.85Å; F553-F610 HydrophobicContact CE2-CG 4.12Å; Q556-F610 HydrophobicContact CB-CD2 4.44Å; Q556-F610 HydrophobicContact CB-CE2 4.43Å; C589-F610 HydrophobicContact CB-CE1 3.87Å; C589-F610 HydrophobicContact CB-CZ 3.85Å; D606-F610 VanDerWaalsContact O-CB 3.29Å; D606-F610 WeakPolarHBondContact O-CB 3.26Å; D606-F610 PolarHBondContact O-N 2.84Å; L607-F610 PolarHBondContact O-N 2.69Å; V608-F610 PolarHBondContact O-N 3.25Å; F610-K612 PolarHBondContact O-N 2.75Å; F610-R613 PolarHBondContact O-N 3.05Å; F610-T614 HydrophobicContact CE1-CG2 3.81Å; F610-T614 HydrophobicContact CE2-CG2 4.18Å; F610-T614 HydrophobicContact CZ-CG2 3.54Å; F610-T614 PolarHBondContact O-N 3.07Å; F610-T614 VanDerWaalsContact O-N 3.07Å; F610-T616 WeakPolarHBondContact CE1-OG1 3.48Å |
| 611 | T | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71 | -9.8 | -178.4 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | L607 V608 R613 G638 G639 Q641 R672 | L607-T611 HydrophobicContact CD1-CG2 4.27Å; L607-T611 VanDerWaalsContact O-CG2 3.28Å; L607-T611 WeakPolarHBondContact O-CG2 3.23Å; L607-T611 PolarHBondContact O-N 3.32Å; L607-T611 PolarHBondContact O-OG1 2.84Å; V608-T611 PolarHBondContact O-N 2.98Å; V608-T611 PolarHBondContact O-OG1 3.46Å; T611-R613 PolarHBondContact O-N 2.87Å; T611-G638 PolarHBondContact OG1-O 3.11Å; T611-G639 WeakPolarHBondContact CB-O 3.36Å; T611-Q641 PolarHBondContact O-NE2 3.2Å; T611-R672 PolarHBondContact O-NH1 3.25Å; T611-R672 PolarHBondContact O-NH2 3.44Å; T611-R672 PolarHBondContact OG1-NH1 3.15Å |
| 612 | K | 89.4 | Confident | 89.2 | Confident | 17 Ų | 17 | 25.7 Ų | 25.7 | 7% | 0.074 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.9 | -36.4 | 171.1 | -73.8 | 177.2 | -172.8 | -170.5 | 0 | 112 | V608 V609 F610 M676 D678 S681 | V608-K612 PolarHBondContact O-N 3.38Å; V609-K612 WeakPolarHBondContact O-CB 3.47Å; V609-K612 PolarHBondContact O-N 3.3Å; F610-K612 PolarHBondContact O-N 2.75Å; K612-M676 VanDerWaalsContact CG-O 3.27Å; K612-M676 WeakPolarHBondContact CG-O 3.34Å; K612-D678 WeakPolarHBondContact CE-O 3.31Å; K612-D678 PolarHBondContact NZ-O 3.25Å; K612-S681 PolarHBondContact NZ-O 2.85Å; K612-S681 PolarHBondContact NZ-OG 3.33Å |
| 613 | R | 84.5 | Confident | 88.7 | Confident | 111 Ų | 111 | 24 Ų | 24 | 42% | 0.419 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -116.4 | -24.8 | -171.7 | -64.1 | -179.1 | 175.7 | 170.2 | -2.5 | 113.5 | Y560 F610 T611 E679 | Y560-R613 PolarHBondContact OH-NH1 2.88Å; F610-R613 PolarHBondContact O-N 3.05Å; T611-R613 PolarHBondContact O-N 2.87Å; R613-E679 IonicContact CZ-OE1 3.81Å; R613-E679 IonicContact NE-OE1 3.16Å; R613-E679 IonicContact NH2-OE1 3.6Å; R613-E679 PolarHBondContact NH2-OE1 3.06Å |
| 614 | T | 88.6 | Confident | 88.5 | Confident | 17 Ų | 17 | 26.6 Ų | 26.6 | 10% | 0.104 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -108.6 | 135.8 | -175.8 | -49.9 | 0 | 0 | 0 | 0 | 110.8 | C589 F610 T616 Q641 | C589-T614 HydrophobicContact CB-CG2 4.33Å; F610-T614 HydrophobicContact CE1-CG2 3.81Å; F610-T614 HydrophobicContact CE2-CG2 4.18Å; F610-T614 HydrophobicContact CZ-CG2 3.54Å; F610-T614 PolarHBondContact O-N 3.07Å; F610-T614 VanDerWaalsContact O-N 3.07Å; T614-T616 PolarHBondContact O-N 3.07Å; T614-Q641 PolarHBondContact O-NE2 2.99Å |
| 615 | L | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 124.9 | 167.9 | -76.3 | 169.2 | 0 | 0 | 0 | 109.1 | L325 I330 L464 I545 M588 C589 Q641 L642 | L325-L615 HydrophobicContact CB-CD1 4.44Å; L325-L615 HydrophobicContact CB-CD2 4.24Å; I330-L615 HydrophobicContact CD1-CD2 4.33Å; L464-L615 HydrophobicContact CD1-CD1 4Å; L464-L615 HydrophobicContact CD1-CD2 4.4Å; L464-L615 HydrophobicContact CD1-CG 3.64Å; L464-L615 HydrophobicContact CD2-CD1 4.15Å; I545-L615 HydrophobicContact CD1-CD1 4.11Å; M588-L615 CarbonylContact C-O 3.2Å; M588-L615 WeakPolarHBondContact CA-O 3.08Å; M588-L615 HydrophobicContact CB-CB 4.16Å; M588-L615 HydrophobicContact CE-CB 4.21Å; M588-L615 HydrophobicContact CE-CD1 4.17Å; M588-L615 HydrophobicContact CG-CB 4.05Å; C589-L615 PolarHBondContact N-O 3.41Å; L615-Q641 HydrophobicContact CD2-CB 4.4Å; L615-Q641 HydrophobicContact CD2-CG 4.32Å; L615-L642 HydrophobicContact CB-CD1 4.42Å; L615-L642 HydrophobicContact CD2-CD1 4.16Å |
| 616 | T | 95.8 | Very high | 88 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131 | -179 | -55.4 | 0 | 0 | 0 | 0 | 110 | C589 L591 F610 T614 V640 Q641 L642 | C589-T616 CarbonylContact O-C 3.59Å; C589-T616 VanDerWaalsContact O-CA 3.31Å; C589-T616 WeakPolarHBondContact O-CA 3.5Å; L591-T616 HydrophobicContact CD1-CG2 3.7Å; L591-T616 HydrophobicContact CG-CG2 4.2Å; F610-T616 WeakPolarHBondContact CE1-OG1 3.48Å; T614-T616 PolarHBondContact O-N 3.07Å; T616-V640 HydrophobicContact CG2-CG1 4.36Å; T616-V640 HydrophobicContact CG2-CG2 4.2Å; T616-V640 WeakPolarHBondContact O-CG1 3.4Å; T616-Q641 PolarHBondContact O-N 3.2Å; T616-Q641 PolarHBondContact O-OE1 3.12Å; T616-L642 PolarHBondContact O-N 3.06Å; T616-L642 VanDerWaalsContact O-N 3.11Å |
| 617 | R | 96.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.1 | 177.6 | -179 | 176.7 | -177.4 | -95.1 | -2.4 | 110.8 | E364 M588 C589 L591 L642 A644 | E364-R617 IonicContact OE2-CZ 3.89Å; E364-R617 IonicContact OE2-NH1 2.68Å; E364-R617 PolarHBondContact OE2-NH1 3.31Å; E364-R617 IonicContact OE2-NH2 2.97Å; E364-R617 PolarHBondContact OE2-NH2 3.27Å; M588-R617 HydrophobicContact CG-CB 4.42Å; M588-R617 HydrophobicContact SD-CB 3.99Å; C589-R617 PolarHBondContact O-N 3.27Å; L591-R617 PolarHBondContact N-O 3.19Å; R617-L642 CarbonylContact C-O 3.58Å; R617-L642 WeakPolarHBondContact CA-O 3.35Å; R617-L642 HydrophobicContact CB-CB 3.96Å; R617-L642 HydrophobicContact CG-CB 3.98Å; R617-L642 WeakPolarHBondContact CG-O 3.43Å; R617-A644 VanDerWaalsContact NH2-CB 3.29Å |
| 618 | V | 95.4 | Very high | 88 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 130.6 | 169.5 | 173.2 | 0 | 0 | 0 | 0 | 109 | L591 A596 Y635 V640 L642 A644 | L591-V618 HydrophobicContact CB-CG2 4.42Å; L591-V618 WeakPolarHBondContact O-CA 3.44Å; A596-V618 HydrophobicContact CB-CB 4.45Å; A596-V618 HydrophobicContact CB-CG1 4.09Å; A596-V618 HydrophobicContact CB-CG2 3.49Å; A596-V618 VanDerWaalsContact CB-CG2 3.49Å; V618-Y635 HydrophobicContact CB-CG 4.46Å; V618-Y635 HydrophobicContact CG1-CD1 4.2Å; V618-Y635 HydrophobicContact CG1-CD2 4.17Å; V618-Y635 HydrophobicContact CG1-CE1 4.1Å; V618-Y635 HydrophobicContact CG1-CE2 4.08Å; V618-Y635 HydrophobicContact CG1-CG 4.23Å; V618-Y635 HydrophobicContact CG2-CD1 4.06Å; V618-Y635 HydrophobicContact CG2-CG 4.19Å; V618-V640 HydrophobicContact CB-CG1 4.35Å; V618-V640 HydrophobicContact CG2-CG1 3.7Å; V618-V640 HydrophobicContact CG2-CG2 4.25Å; V618-L642 PolarHBondContact N-O 3.31Å; V618-A644 WeakPolarHBondContact O-CB 3.47Å; V618-A644 PolarHBondContact O-N 3.33Å |
| 619 | R | 89 | Confident | 88.1 | Confident | 31 Ų | 31 | 32.8 Ų | 32.8 | 12% | 0.117 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 146.1 | 175.8 | 58.2 | 176.9 | 173.7 | 82.2 | 2.4 | 111.5 | Y334 E498 L591 E593 | Y334-R619 HydrophobicContact CD2-CB 4.38Å; Y334-R619 HydrophobicContact CE2-CB 4.07Å; E498-R619 IonicContact OE2-CZ 2.73Å; E498-R619 VanDerWaalsContact OE2-CZ 3.24Å; E498-R619 IonicContact OE2-NH1 2.66Å; E498-R619 PolarHBondContact OE2-NH1 3.23Å; E498-R619 IonicContact OE2-NH2 2.76Å; E498-R619 PolarHBondContact OE2-NH2 3.35Å; L591-R619 WeakPolarHBondContact O-CG 3.38Å; L591-R619 PolarHBondContact O-N 2.97Å; E593-R619 WeakPolarHBondContact CB-O 3.24Å; E593-R619 PolarHBondContact N-O 3.01Å |
| 620 | P | 89.8 | Confident | 88.4 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | trans | -54.3 | 147 | 171.1 | -24.5 | 35.2 | 0 | 0 | 0 | 111.8 | Y334 P630 A644 | Y334-P620 HydrophobicContact CD1-CB 4.46Å; Y334-P620 HydrophobicContact CD1-CG 3.87Å; Y334-P620 HydrophobicContact CD2-CG 4.38Å; Y334-P620 HydrophobicContact CE1-CG 4.43Å; Y334-P620 HydrophobicContact CG-CG 3.82Å; P620-P630 HydrophobicContact CG-CG 4.41Å; P620-A644 WeakPolarHBondContact CD-O 3.47Å; P620-A644 WeakPolarHBondContact CG-O 3.31Å | ||
| 621 | S | 83.6 | Confident | 88.7 | Confident | 34 Ų | 34 | 32.9 Ų | 32.9 | 24% | 0.238 | 17% | 0.17 | C | C | . | . | trans | -64 | 142.3 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 111 | E593 V623 R624 | E593-S621 WeakPolarHBondContact OE2-CB 3.42Å; E593-S621 PolarHBondContact OE2-N 3.39Å; S621-V623 PolarHBondContact O-N 2.95Å; S621-V623 VanDerWaalsContact O-N 3.11Å; S621-V623 WeakPolarHBondContact OG-CG2 3.26Å; S621-V623 PolarHBondContact OG-N 2.87Å; S621-R624 WeakPolarHBondContact O-CB 3.39Å; S621-R624 PolarHBondContact O-N 3.49Å; S621-R624 VanDerWaalsContact O-N 3.09Å | ||
| 622 | S | 70.9 | Confident | 88.9 | Confident | 21 Ų | 21 | 32.9 Ų | 32.9 | 15% | 0.147 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -10.7 | 177.2 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | G502 R624 | G502-S622 PolarHBondContact N-OG 3.31Å; S622-R624 VanDerWaalsContact C-N 3.3Å |
| 623 | V | 77.9 | Confident | 89.2 | Confident | 91 Ų | 91 | 32.3 Ų | 32.3 | 55% | 0.552 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11 | 174.6 | -50.7 | 0 | 0 | 0 | 0 | 112.9 | S621 L625 | S621-V623 PolarHBondContact O-N 2.95Å; S621-V623 VanDerWaalsContact O-N 3.11Å; S621-V623 WeakPolarHBondContact OG-CG2 3.26Å; S621-V623 PolarHBondContact OG-N 2.87Å; V623-L625 PolarHBondContact O-N 3.02Å |
| 624 | R | 84.6 | Confident | 89.7 | Confident | 56 Ų | 56 | 28.1 Ų | 28.1 | 21% | 0.211 | 16% | 0.158 | C | C | . | . | trans | -79.8 | 65.9 | 175.4 | -63.2 | -177.2 | 174 | -83.8 | 2.2 | 110.1 | Q342 E593 S621 S622 D626 S627 S628 | Q342-R624 WeakPolarHBondContact CG-O 3.43Å; E593-R624 IonicContact OE1-CZ 3.07Å; E593-R624 IonicContact OE1-NE 2.71Å; E593-R624 PolarHBondContact OE1-NE 3.3Å; E593-R624 IonicContact OE1-NH2 3.67Å; E593-R624 PolarHBondContact OE1-NH2 3.19Å; E593-R624 WeakPolarHBondContact OE2-CD 3.28Å; E593-R624 IonicContact OE2-CZ 2.79Å; E593-R624 IonicContact OE2-NE 2.65Å; E593-R624 PolarHBondContact OE2-NE 3.28Å; E593-R624 IonicContact OE2-NH2 3.07Å; S621-R624 WeakPolarHBondContact O-CB 3.39Å; S621-R624 PolarHBondContact O-N 3.49Å; S621-R624 VanDerWaalsContact O-N 3.09Å; S622-R624 VanDerWaalsContact C-N 3.3Å; R624-D626 PolarHBondContact O-N 3.45Å; R624-S627 PolarHBondContact O-N 3.15Å; R624-S627 VanDerWaalsContact O-N 3.09Å; R624-S628 WeakPolarHBondContact CB-OG 3.44Å; R624-S628 VanDerWaalsContact CD-O 3.28Å; R624-S628 WeakPolarHBondContact CD-O 3.47Å; R624-S628 WeakPolarHBondContact CG-OG 3.29Å; R624-S628 PolarHBondContact NH1-OG 2.62Å | ||
| 625 | L | 83 | Confident | 90 | Very high | 97 Ų | 97 | 28.2 Ų | 28.2 | 51% | 0.508 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -36.4 | -176 | -57.2 | -179.7 | 0 | 0 | 0 | 111 | D341 Q342 V343 V623 S627 | D341-L625 VanDerWaalsContact CB-O 3.3Å; D341-L625 WeakPolarHBondContact CB-O 3.49Å; Q342-L625 PolarHBondContact N-O 2.98Å; V343-L625 HydrophobicContact CG2-CD2 3.82Å; V623-L625 PolarHBondContact O-N 3.02Å; L625-S627 PolarHBondContact O-N 3.42Å; L625-S627 VanDerWaalsContact O-N 3.15Å |
| 626 | D | 82.5 | Confident | 90.2 | Very high | 106 Ų | 106 | 28.3 Ų | 28.3 | 57% | 0.567 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 7.2 | 177.1 | 69.1 | -16.7 | 0 | 0 | 0 | 115 | R624 S628 | R624-D626 PolarHBondContact O-N 3.45Å; D626-S628 PolarHBondContact O-N 3.05Å; D626-S628 WeakPolarHBondContact OD1-CB 3.44Å; D626-S628 PolarHBondContact OD1-N 2.82Å; D626-S628 PolarHBondContact OD1-OG 2.91Å |
| 627 | S | 88.5 | Confident | 90 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | 59.8 | 22.3 | -174.3 | -60.5 | 0 | 0 | 0 | 0 | 113.8 | D340 Q342 R624 L625 N646 Q648 T649 | D340-S627 PolarHBondContact O-OG 3.01Å; Q342-S627 PolarHBondContact NE2-OG 3.24Å; R624-S627 PolarHBondContact O-N 3.15Å; R624-S627 VanDerWaalsContact O-N 3.09Å; L625-S627 PolarHBondContact O-N 3.42Å; L625-S627 VanDerWaalsContact O-N 3.15Å; S627-N646 WeakPolarHBondContact O-CB 3.45Å; S627-N646 PolarHBondContact O-ND2 3.06Å; S627-Q648 PolarHBondContact OG-NE2 3.23Å; S627-T649 VanDerWaalsContact CB-OG1 3.29Å; S627-T649 WeakPolarHBondContact CB-OG1 3.37Å; S627-T649 VanDerWaalsContact O-CB 3.27Å; S627-T649 WeakPolarHBondContact O-CB 3.46Å; S627-T649 PolarHBondContact O-OG1 3.13Å | ||
| 628 | S | 92.1 | Very high | 89.9 | Confident | 25 Ų | 25 | 29.9 Ų | 29.9 | 18% | 0.175 | 16% | 0.164 | C | C | . | . | trans | -56.3 | 158.7 | 172.4 | 55.6 | 0 | 0 | 0 | 0 | 112 | R624 D626 N646 | R624-S628 WeakPolarHBondContact CB-OG 3.44Å; R624-S628 VanDerWaalsContact CD-O 3.28Å; R624-S628 WeakPolarHBondContact CD-O 3.47Å; R624-S628 WeakPolarHBondContact CG-OG 3.29Å; R624-S628 PolarHBondContact NH1-OG 2.62Å; D626-S628 PolarHBondContact O-N 3.05Å; D626-S628 WeakPolarHBondContact OD1-CB 3.44Å; D626-S628 PolarHBondContact OD1-N 2.82Å; D626-S628 PolarHBondContact OD1-OG 2.91Å; S628-N646 PolarHBondContact O-ND2 3.45Å | ||
| 629 | N | 95.2 | Very high | 89.8 | Confident | 18 Ų | 18 | 29.9 Ų | 29.9 | 10% | 0.096 | 16% | 0.164 | C | C | . | . | trans | -106.2 | 138.3 | -174.3 | -85.2 | -55.8 | 0 | 0 | 0 | 112.3 | L645 N646 T649 M653 | N629-L645 HydrophobicContact CB-CD2 4.24Å; N629-L645 VanDerWaalsContact OD1-CA 3.26Å; N629-L645 WeakPolarHBondContact OD1-CA 3.44Å; N629-L645 VanDerWaalsContact OD1-CB 3.31Å; N629-L645 WeakPolarHBondContact OD1-CB 3.45Å; N629-N646 PolarHBondContact ND2-O 2.82Å; N629-N646 PolarHBondContact OD1-N 3.45Å; N629-T649 PolarHBondContact ND2-O 3.26Å; N629-M653 HydrophobicContact CB-CB 3.61Å; N629-M653 HydrophobicContact CB-CG 4.01Å | ||
| 630 | P | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -71.5 | 156.8 | 167.8 | 34.3 | -37 | 0 | 0 | 0 | 110.5 | E593 P620 P632 Y635 L645 | E593-P630 HydrophobicContact CG-CB 3.96Å; P620-P630 HydrophobicContact CG-CG 4.41Å; P630-P632 VanDerWaalsContact O-CD 3.22Å; P630-P632 WeakPolarHBondContact O-CD 3.42Å; P630-Y635 HydrophobicContact CB-CE2 4.09Å; P630-L645 HydrophobicContact CG-CD2 3.92Å | ||
| 631 | N | 95.5 | Very high | 90.6 | Very high | 63 Ų | 63 | 28.3 Ų | 28.3 | 34% | 0.337 | 16% | 0.158 | S | C | . | . | trans | -72.1 | 112.9 | 176.9 | -179.2 | -9.9 | 0 | 0 | 0 | 111.2 | Q633 G634 Y635 M653 | N631-Q633 PolarHBondContact O-N 2.9Å; N631-Q633 WeakPolarHBondContact OD1-CB 3.38Å; N631-Q633 PolarHBondContact OD1-N 3.48Å; N631-G634 PolarHBondContact O-N 3.04Å; N631-Y635 WeakPolarHBondContact O-CD2 3.43Å; N631-Y635 WeakPolarHBondContact O-CE2 3.29Å; N631-M653 WeakPolarHBondContact CA-SD 3.5Å; N631-M653 HydrophobicContact CB-CE 4.22Å; N631-M653 HydrophobicContact CB-SD 3.76Å | ||
| 632 | P | 97.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -31.6 | -175.2 | 29.9 | -36.1 | 0 | 0 | 0 | 113.6 | P630 G634 Y635 W636 V643 L645 L656 | P630-P632 VanDerWaalsContact O-CD 3.22Å; P630-P632 WeakPolarHBondContact O-CD 3.42Å; P632-G634 PolarHBondContact O-N 3.49Å; P632-Y635 PolarHBondContact O-N 3.3Å; P632-W636 HydrophobicContact CB-CD2 4.27Å; P632-W636 HydrophobicContact CB-CE3 4.26Å; P632-W636 HydrophobicContact CB-CH2 3.65Å; P632-W636 HydrophobicContact CB-CZ2 3.68Å; P632-W636 HydrophobicContact CB-CZ3 3.96Å; P632-W636 HydrophobicContact CG-CH2 3.76Å; P632-W636 HydrophobicContact CG-CZ2 4.29Å; P632-W636 HydrophobicContact CG-CZ3 3.95Å; P632-W636 PolarHBondContact O-N 3.43Å; P632-V643 HydrophobicContact CB-CB 4.36Å; P632-V643 HydrophobicContact CB-CG1 4.05Å; P632-L645 HydrophobicContact CB-CD1 4.3Å; P632-L645 HydrophobicContact CG-CD1 4.21Å; P632-L656 HydrophobicContact CG-CB 4.38Å |
| 633 | Q | 95.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61 | -31.6 | 175.9 | -175.5 | 62.3 | 23 | 0 | 0 | 111.6 | N631 Y635 W636 K637 H731 G732 L767 | N631-Q633 PolarHBondContact O-N 2.9Å; N631-Q633 WeakPolarHBondContact OD1-CB 3.38Å; N631-Q633 PolarHBondContact OD1-N 3.48Å; Q633-Y635 PolarHBondContact O-N 3.47Å; Q633-Y635 VanDerWaalsContact O-N 3.15Å; Q633-W636 HydrophobicContact CB-CE3 4.39Å; Q633-K637 PolarHBondContact O-N 3.49Å; Q633-H731 HydrophobicContact CG-CB 4.41Å; Q633-G732 VanDerWaalsContact NE2-C 3.28Å; Q633-G732 VanDerWaalsContact NE2-CA 3.32Å; Q633-G732 PolarHBondContact NE2-O 2.93Å; Q633-L767 PolarHBondContact NE2-O 3.04Å |
| 634 | G | 94 | Very high | 93.5 | Very high | 22 Ų | 22 | 21.5 Ų | 21.5 | 23% | 0.227 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.7 | -28.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T600 N631 P632 K637 | T600-G634 WeakPolarHBondContact CG2-O 3.37Å; N631-G634 PolarHBondContact O-N 3.04Å; P632-G634 PolarHBondContact O-N 3.49Å; G634-K637 WeakPolarHBondContact O-CE 3.36Å; G634-K637 WeakPolarHBondContact O-CG 3.43Å |
| 635 | Y | 96.3 | Very high | 94 | Very high | 19 Ų | 19 | 18.8 Ų | 18.8 | 8% | 0.075 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -109.2 | -30.7 | -178.4 | -50.6 | -72.9 | 0 | 0 | 0 | 113.2 | E593 A596 V618 P630 N631 P632 Q633 K637 G638 G639 V640 V643 | E593-Y635 WeakPolarHBondContact CG-OH 3.3Å; E593-Y635 PolarHBondContact O-OH 2.89Å; A596-Y635 HydrophobicContact CB-CD1 3.83Å; A596-Y635 HydrophobicContact CB-CE1 3.65Å; V618-Y635 HydrophobicContact CB-CG 4.46Å; V618-Y635 HydrophobicContact CG1-CD1 4.2Å; V618-Y635 HydrophobicContact CG1-CD2 4.17Å; V618-Y635 HydrophobicContact CG1-CE1 4.1Å; V618-Y635 HydrophobicContact CG1-CE2 4.08Å; V618-Y635 HydrophobicContact CG1-CG 4.23Å; V618-Y635 HydrophobicContact CG2-CD1 4.06Å; V618-Y635 HydrophobicContact CG2-CG 4.19Å; P630-Y635 HydrophobicContact CB-CE2 4.09Å; N631-Y635 WeakPolarHBondContact O-CD2 3.43Å; N631-Y635 WeakPolarHBondContact O-CE2 3.29Å; P632-Y635 PolarHBondContact O-N 3.3Å; Q633-Y635 PolarHBondContact O-N 3.47Å; Q633-Y635 VanDerWaalsContact O-N 3.15Å; Y635-K637 PolarHBondContact O-N 2.64Å; Y635-G638 WeakPolarHBondContact O-CA 3.49Å; Y635-G638 PolarHBondContact O-N 3.28Å; Y635-G639 PolarHBondContact O-N 3.12Å; Y635-V640 PolarHBondContact O-N 3.4Å; Y635-V643 HydrophobicContact CD2-CG1 3.88Å; Y635-V643 HydrophobicContact CD2-CG2 4.41Å |
| 636 | W | 96.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.008 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.1 | -35.2 | 173.8 | -68.9 | -31.1 | 0 | 0 | 0 | 112 | Y329 P632 Q633 G638 G639 R660 F661 L769 | Y329-W636 HydrophobicContact CD1-CB 4.43Å; Y329-W636 AromaticContact CD1-CD1 3.41Å; Y329-W636 VanDerWaalsContact CD1-CD1 3.41Å; Y329-W636 HydrophobicContact CD1-CG 4.06Å; Y329-W636 HydrophobicContact CE1-CB 3.78Å; Y329-W636 AromaticContact CE1-CD1 3.59Å; Y329-W636 AromaticContact CE1-CG 3.9Å; Y329-W636 HydrophobicContact CE1-CG 3.9Å; Y329-W636 PolarHBondContact OH-O 2.99Å; P632-W636 HydrophobicContact CB-CD2 4.27Å; P632-W636 HydrophobicContact CB-CE3 4.26Å; P632-W636 HydrophobicContact CB-CH2 3.65Å; P632-W636 HydrophobicContact CB-CZ2 3.68Å; P632-W636 HydrophobicContact CB-CZ3 3.96Å; P632-W636 HydrophobicContact CG-CH2 3.76Å; P632-W636 HydrophobicContact CG-CZ2 4.29Å; P632-W636 HydrophobicContact CG-CZ3 3.95Å; P632-W636 PolarHBondContact O-N 3.43Å; Q633-W636 HydrophobicContact CB-CE3 4.39Å; W636-G638 PolarHBondContact O-N 3.33Å; W636-G639 WeakPolarHBondContact O-CA 3.28Å; W636-G639 PolarHBondContact O-N 3.24Å; W636-R660 HydrophobicContact CH2-CB 3.67Å; W636-R660 HydrophobicContact CH2-CG 3.91Å; W636-R660 HydrophobicContact CZ2-CB 4.27Å; W636-R660 HydrophobicContact CZ2-CG 4.1Å; W636-R660 HydrophobicContact CZ3-CB 3.99Å; W636-R660 HydrophobicContact CZ3-CG 4.14Å; W636-F661 AromaticContact CZ2-CE2 3.91Å; W636-F661 HydrophobicContact CZ2-CE2 3.91Å; W636-L769 HydrophobicContact CE3-CD1 4.4Å; W636-L769 HydrophobicContact CZ3-CD1 3.82Å |
| 637 | K | 92.4 | Very high | 95 | Very high | 33 Ų | 33 | 11.6 Ų | 11.6 | 14% | 0.143 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21 | 173.2 | 75 | -179.4 | -172.9 | 170.4 | 0 | 113.8 | T600 Q633 G634 Y635 M676 A685 | T600-K637 HydrophobicContact CG2-CD 4.43Å; T600-K637 HydrophobicContact CG2-CG 4.23Å; Q633-K637 PolarHBondContact O-N 3.49Å; G634-K637 WeakPolarHBondContact O-CE 3.36Å; G634-K637 WeakPolarHBondContact O-CG 3.43Å; Y635-K637 PolarHBondContact O-N 2.64Å; K637-M676 WeakPolarHBondContact O-CE 3.33Å; K637-A685 HydrophobicContact CB-CB 3.94Å; K637-A685 HydrophobicContact CD-CB 3.9Å; K637-A685 HydrophobicContact CG-CB 3.92Å |
| 638 | G | 92.7 | Very high | 95 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 3.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T611 Y635 W636 V640 | T611-G638 PolarHBondContact OG1-O 3.11Å; Y635-G638 WeakPolarHBondContact O-CA 3.49Å; Y635-G638 PolarHBondContact O-N 3.28Å; W636-G638 PolarHBondContact O-N 3.33Å; G638-V640 VanDerWaalsContact C-N 3.32Å; G638-V640 PolarHBondContact O-N 3.29Å |
| 639 | G | 93.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 5.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T611 Y635 W636 Q641 R672 | T611-G639 WeakPolarHBondContact CB-O 3.36Å; Y635-G639 PolarHBondContact O-N 3.12Å; W636-G639 WeakPolarHBondContact O-CA 3.28Å; W636-G639 PolarHBondContact O-N 3.24Å; G639-Q641 PolarHBondContact O-N 2.98Å; G639-R672 PolarHBondContact O-NH1 3.35Å |
| 640 | V | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -59.1 | 126.8 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | Y329 L607 T616 V618 Y635 G638 V643 | Y329-V640 VanDerWaalsContact CD1-O 3.26Å; Y329-V640 WeakPolarHBondContact CD1-O 3.44Å; Y329-V640 WeakPolarHBondContact CE1-O 3.28Å; L607-V640 HydrophobicContact CD2-CG2 4.48Å; T616-V640 HydrophobicContact CG2-CG1 4.36Å; T616-V640 HydrophobicContact CG2-CG2 4.2Å; T616-V640 WeakPolarHBondContact O-CG1 3.4Å; V618-V640 HydrophobicContact CB-CG1 4.35Å; V618-V640 HydrophobicContact CG2-CG1 3.7Å; V618-V640 HydrophobicContact CG2-CG2 4.25Å; Y635-V640 PolarHBondContact O-N 3.4Å; G638-V640 VanDerWaalsContact C-N 3.32Å; G638-V640 PolarHBondContact O-N 3.29Å; V640-V643 HydrophobicContact CB-CG2 4.45Å; V640-V643 HydrophobicContact CG1-CG2 3.96Å | ||
| 641 | Q | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -82.8 | -41.5 | -173.3 | -59.2 | 89.2 | -15.5 | 0 | 0 | 112.5 | A326 Y328 I330 T611 T614 L615 T616 G639 | A326-Q641 WeakPolarHBondContact O-CG 3.45Å; A326-Q641 PolarHBondContact O-NE2 3.1Å; Y328-Q641 WeakPolarHBondContact O-CB 3.32Å; Y328-Q641 WeakPolarHBondContact O-CG 3.36Å; I330-Q641 PolarHBondContact N-O 3.32Å; T611-Q641 PolarHBondContact O-NE2 3.2Å; T614-Q641 PolarHBondContact O-NE2 2.99Å; L615-Q641 HydrophobicContact CD2-CB 4.4Å; L615-Q641 HydrophobicContact CD2-CG 4.32Å; T616-Q641 PolarHBondContact O-N 3.2Å; T616-Q641 PolarHBondContact O-OE1 3.12Å; G639-Q641 PolarHBondContact O-N 2.98Å |
| 642 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 89.3 | -172.2 | -56.9 | 108.2 | 0 | 0 | 0 | 110.7 | I330 T332 C362 L420 M588 L615 T616 R617 V618 | I330-L642 HydrophobicContact CB-CD2 4.29Å; I330-L642 HydrophobicContact CB-CG 4.22Å; I330-L642 HydrophobicContact CD1-CD2 4.4Å; I330-L642 HydrophobicContact CD1-CG 4.35Å; I330-L642 HydrophobicContact CG2-CD2 4.37Å; T332-L642 HydrophobicContact CG2-CB 4.29Å; T332-L642 WeakPolarHBondContact OG1-CA 3.22Å; T332-L642 WeakPolarHBondContact OG1-CB 3.3Å; C362-L642 HydrophobicContact CB-CD2 3.69Å; C362-L642 VanDerWaalsContact SG-CD2 3.59Å; L420-L642 HydrophobicContact CD1-CD2 3.8Å; M588-L642 HydrophobicContact CE-CD1 3.76Å; M588-L642 HydrophobicContact CE-CD2 4.14Å; M588-L642 HydrophobicContact SD-CD1 4.22Å; L615-L642 HydrophobicContact CB-CD1 4.42Å; L615-L642 HydrophobicContact CD2-CD1 4.16Å; T616-L642 PolarHBondContact O-N 3.06Å; T616-L642 VanDerWaalsContact O-N 3.11Å; R617-L642 CarbonylContact C-O 3.58Å; R617-L642 WeakPolarHBondContact CA-O 3.35Å; R617-L642 HydrophobicContact CB-CB 3.96Å; R617-L642 HydrophobicContact CG-CB 3.98Å; R617-L642 WeakPolarHBondContact CG-O 3.43Å; V618-L642 PolarHBondContact N-O 3.31Å |
| 643 | V | 98.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 106.1 | 172.4 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | P632 Y635 V640 L645 | P632-V643 HydrophobicContact CB-CB 4.36Å; P632-V643 HydrophobicContact CB-CG1 4.05Å; Y635-V643 HydrophobicContact CD2-CG1 3.88Å; Y635-V643 HydrophobicContact CD2-CG2 4.41Å; V640-V643 HydrophobicContact CB-CG2 4.45Å; V640-V643 HydrophobicContact CG1-CG2 3.96Å; V643-L645 HydrophobicContact CG1-CD2 4.34Å |
| 644 | A | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 128.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T332 Y334 R617 V618 P620 | T332-A644 HydrophobicContact CG2-CB 3.58Å; Y334-A644 HydrophobicContact CD2-CB 4.27Å; R617-A644 VanDerWaalsContact NH2-CB 3.29Å; V618-A644 WeakPolarHBondContact O-CB 3.47Å; V618-A644 PolarHBondContact O-N 3.33Å; P620-A644 WeakPolarHBondContact CD-O 3.47Å; P620-A644 WeakPolarHBondContact CG-O 3.31Å |
| 645 | L | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.9 | -179.4 | -59.3 | -179.1 | 0 | 0 | 0 | 111.8 | T332 S333 Y334 N629 P630 P632 V643 Q647 L654 H657 | T332-L645 PolarHBondContact O-N 3.35Å; S333-L645 CarbonylContact C-O 3.44Å; S333-L645 WeakPolarHBondContact CA-O 3.43Å; Y334-L645 PolarHBondContact N-O 2.87Å; N629-L645 HydrophobicContact CB-CD2 4.24Å; N629-L645 VanDerWaalsContact OD1-CA 3.26Å; N629-L645 WeakPolarHBondContact OD1-CA 3.44Å; N629-L645 VanDerWaalsContact OD1-CB 3.31Å; N629-L645 WeakPolarHBondContact OD1-CB 3.45Å; P630-L645 HydrophobicContact CG-CD2 3.92Å; P632-L645 HydrophobicContact CB-CD1 4.3Å; P632-L645 HydrophobicContact CG-CD1 4.21Å; V643-L645 HydrophobicContact CG1-CD2 4.34Å; L645-Q647 PolarHBondContact O-N 2.91Å; L645-L654 HydrophobicContact CB-CD2 3.84Å; L645-L654 HydrophobicContact CD1-CD2 4.05Å; L645-H657 HydrophobicContact CD1-CB 3.61Å |
| 646 | N | 94.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | trans | -67.4 | 106.3 | 169.9 | -68.1 | -52.8 | 0 | 0 | 0 | 109.6 | Y334 Q342 S627 S628 N629 Q648 T649 | Y334-N646 WeakPolarHBondContact CD1-OD1 3.27Å; Q342-N646 PolarHBondContact NE2-OD1 2.92Å; S627-N646 WeakPolarHBondContact O-CB 3.45Å; S627-N646 PolarHBondContact O-ND2 3.06Å; S628-N646 PolarHBondContact O-ND2 3.45Å; N629-N646 PolarHBondContact ND2-O 2.82Å; N629-N646 PolarHBondContact OD1-N 3.45Å; N646-Q648 VanDerWaalsContact C-N 3.27Å; N646-Q648 PolarHBondContact O-N 3.32Å; N646-T649 PolarHBondContact O-N 2.88Å | ||
| 647 | Q | 92 | Very high | 95.1 | Very high | 50 Ų | 50 | 17.4 Ų | 17.4 | 23% | 0.234 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -20 | -176.5 | -65.5 | -68.6 | -35.3 | 0 | 0 | 112.9 | A355 L645 T649 | A355-Q647 HydrophobicContact CB-CG 4.46Å; L645-Q647 PolarHBondContact O-N 2.91Å; Q647-T649 VanDerWaalsContact C-N 3.31Å |
| 648 | Q | 88.8 | Confident | 95.3 | Very high | 41 Ų | 41 | 20.1 Ų | 20.1 | 19% | 0.192 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -15.1 | 179.4 | 71.8 | -82 | 24.8 | 0 | 0 | 113.6 | L338 L339 D340 S627 N646 P650 | L338-Q648 WeakPolarHBondContact O-CG 3.49Å; L339-Q648 WeakPolarHBondContact O-CB 3.4Å; D340-Q648 PolarHBondContact O-NE2 3.42Å; S627-Q648 PolarHBondContact OG-NE2 3.23Å; N646-Q648 VanDerWaalsContact C-N 3.27Å; N646-Q648 PolarHBondContact O-N 3.32Å; Q648-P650 VanDerWaalsContact O-CD 3.24Å; Q648-P650 WeakPolarHBondContact O-CD 3.33Å |
| 649 | T | 92.3 | Very high | 95.5 | Very high | 39 Ų | 39 | 20.2 Ų | 20.2 | 24% | 0.239 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -108.1 | 94.9 | -178.2 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | S627 N629 N646 Q647 L654 | S627-T649 VanDerWaalsContact CB-OG1 3.29Å; S627-T649 WeakPolarHBondContact CB-OG1 3.37Å; S627-T649 VanDerWaalsContact O-CB 3.27Å; S627-T649 WeakPolarHBondContact O-CB 3.46Å; S627-T649 PolarHBondContact O-OG1 3.13Å; N629-T649 PolarHBondContact ND2-O 3.26Å; N646-T649 PolarHBondContact O-N 2.88Å; Q647-T649 VanDerWaalsContact C-N 3.31Å; T649-L654 WeakPolarHBondContact O-CD1 3.2Å |
| 650 | P | 92.5 | Very high | 95.7 | Very high | 62 Ų | 62 | 20.3 Ų | 20.3 | 40% | 0.403 | 11% | 0.111 | S | C | . | . | trans | -66 | 160.1 | 179.4 | 32.1 | -37.5 | 0 | 0 | 0 | 111.9 | Q648 L807 A808 | Q648-P650 VanDerWaalsContact O-CD 3.24Å; Q648-P650 WeakPolarHBondContact O-CD 3.33Å; P650-L807 HydrophobicContact CB-CG 4.22Å; P650-L807 WeakPolarHBondContact CB-O 3.18Å; P650-L807 HydrophobicContact CG-CG 4.48Å; P650-A808 HydrophobicContact CB-CB 4.44Å | ||
| 651 | G | 92.5 | Very high | 95.7 | Very high | 18 Ų | 18 | 20.8 Ų | 20.8 | 19% | 0.186 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 144 | -172.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M653 L654 D655 | G651-M653 VanDerWaalsContact C-N 3.26Å; G651-M653 PolarHBondContact O-N 3.25Å; G651-M653 VanDerWaalsContact O-N 3.14Å; G651-L654 PolarHBondContact O-N 3.48Å; G651-L654 VanDerWaalsContact O-N 3.15Å; G651-D655 PolarHBondContact O-N 3.44Å; G651-D655 VanDerWaalsContact O-N 3.09Å |
| 652 | A | 95.4 | Very high | 95.6 | Very high | 31 Ų | 31 | 23.4 Ų | 23.4 | 26% | 0.256 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -53.3 | -39.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L654 D655 L656 | A652-L654 PolarHBondContact O-N 3.11Å; A652-D655 WeakPolarHBondContact O-CB 3.47Å; A652-D655 PolarHBondContact O-N 3.05Å; A652-L656 WeakPolarHBondContact O-CG 3.49Å; A652-L656 PolarHBondContact O-N 2.84Å |
| 653 | M | 96.5 | Very high | 95.4 | Very high | 54 Ų | 54 | 23.9 Ų | 23.9 | 27% | 0.266 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -68.9 | -37.4 | -176.7 | -55.1 | -49.2 | 153.2 | 0 | 0 | 113 | N629 N631 G651 L656 H657 | N629-M653 HydrophobicContact CB-CB 3.61Å; N629-M653 HydrophobicContact CB-CG 4.01Å; N631-M653 WeakPolarHBondContact CA-SD 3.5Å; N631-M653 HydrophobicContact CB-CE 4.22Å; N631-M653 HydrophobicContact CB-SD 3.76Å; G651-M653 VanDerWaalsContact C-N 3.26Å; G651-M653 PolarHBondContact O-N 3.25Å; G651-M653 VanDerWaalsContact O-N 3.14Å; M653-L656 HydrophobicContact SD-CD1 4.39Å; M653-H657 WeakPolarHBondContact O-CB 3.43Å; M653-H657 PolarHBondContact O-N 2.95Å; M653-H657 VanDerWaalsContact O-N 3.09Å |
| 654 | L | 96 | Very high | 95.3 | Very high | 20 Ų | 20 | 23.7 Ų | 23.7 | 11% | 0.105 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -73.5 | -30.4 | 173.6 | -74.4 | -172.7 | 0 | 0 | 0 | 111.9 | L645 T649 G651 A652 H657 R658 | L645-L654 HydrophobicContact CB-CD2 3.84Å; L645-L654 HydrophobicContact CD1-CD2 4.05Å; T649-L654 WeakPolarHBondContact O-CD1 3.2Å; G651-L654 PolarHBondContact O-N 3.48Å; G651-L654 VanDerWaalsContact O-N 3.15Å; A652-L654 PolarHBondContact O-N 3.11Å; L654-H657 PolarHBondContact O-N 3.22Å; L654-R658 WeakPolarHBondContact O-CB 3.2Å; L654-R658 PolarHBondContact O-N 2.92Å |
| 655 | D | 97.7 | Very high | 95.3 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.9 | -45.9 | 173.8 | -166.3 | 43.1 | 0 | 0 | 0 | 111.7 | G651 A652 H657 R658 G659 R771 Q787 S789 | G651-D655 PolarHBondContact O-N 3.44Å; G651-D655 VanDerWaalsContact O-N 3.09Å; A652-D655 WeakPolarHBondContact O-CB 3.47Å; A652-D655 PolarHBondContact O-N 3.05Å; D655-H657 VanDerWaalsContact C-N 3.32Å; D655-H657 PolarHBondContact O-N 3.35Å; D655-R658 WeakPolarHBondContact O-CB 3.44Å; D655-R658 PolarHBondContact O-N 3.42Å; D655-R658 VanDerWaalsContact O-N 3.13Å; D655-G659 PolarHBondContact O-N 2.62Å; D655-R771 WeakPolarHBondContact OD2-CD 3.27Å; D655-R771 IonicContact OD2-NE 2.75Å; D655-R771 PolarHBondContact OD2-NE 2.88Å; D655-Q787 HydrophobicContact CB-CG 4.49Å; D655-Q787 PolarHBondContact OD1-NE2 2.87Å; D655-S789 VanDerWaalsContact CG-OG 3.27Å; D655-S789 WeakPolarHBondContact O-CB 3.32Å; D655-S789 PolarHBondContact OD2-OG 3.16Å |
| 656 | L | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -41 | 172.7 | -68.7 | 176.5 | 0 | 0 | 0 | 112.1 | P632 A652 M653 G659 R660 H731 L769 R771 | P632-L656 HydrophobicContact CG-CB 4.38Å; A652-L656 WeakPolarHBondContact O-CG 3.49Å; A652-L656 PolarHBondContact O-N 2.84Å; M653-L656 HydrophobicContact SD-CD1 4.39Å; L656-G659 PolarHBondContact O-N 3.35Å; L656-R660 WeakPolarHBondContact O-CB 3.31Å; L656-R660 PolarHBondContact O-N 2.92Å; L656-H731 HydrophobicContact CD2-CB 4.26Å; L656-L769 HydrophobicContact CD2-CB 4.32Å; L656-L769 HydrophobicContact CD2-CD1 4.28Å; L656-R771 HydrophobicContact CD2-CB 4.43Å |
| 657 | H | 97.7 | Very high | 95.4 | Very high | 10 Ų | 10 | 26.2 Ų | 26.2 | 5% | 0.046 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59 | -47.2 | 172.3 | 174.4 | -80.5 | 0 | 0 | 0 | 111.8 | S331 L645 M653 L654 D655 R660 F661 | S331-H657 PolarHBondContact OG-CE1 3.29Å; S331-H657 PolarHBondContact OG-NE2 2.92Å; L645-H657 HydrophobicContact CD1-CB 3.61Å; M653-H657 WeakPolarHBondContact O-CB 3.43Å; M653-H657 PolarHBondContact O-N 2.95Å; M653-H657 VanDerWaalsContact O-N 3.09Å; L654-H657 PolarHBondContact O-N 3.22Å; D655-H657 VanDerWaalsContact C-N 3.32Å; D655-H657 PolarHBondContact O-N 3.35Å; H657-R660 PolarHBondContact O-N 2.78Å; H657-F661 AromaticContact CD2-CD2 3.56Å; H657-F661 AromaticContact CD2-CE2 3.5Å; H657-F661 AromaticContact CE1-CD2 3.64Å; H657-F661 AromaticContact CG-CD2 3.91Å; H657-F661 AromaticContact ND1-CD2 3.95Å; H657-F661 AromaticContact NE2-CD2 3.36Å; H657-F661 WeakPolarHBondContact NE2-CD2 3.43Å; H657-F661 AromaticContact NE2-CE2 3.46Å; H657-F661 WeakPolarHBondContact NE2-CE2 3.47Å; H657-F661 VanDerWaalsContact O-CD2 3.23Å; H657-F661 WeakPolarHBondContact O-CD2 3.35Å; H657-F661 PolarHBondContact O-N 3.15Å |
| 658 | R | 96.4 | Very high | 95.7 | Very high | 90 Ų | 90 | 23.9 Ų | 23.9 | 34% | 0.34 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60 | -51.8 | 176 | -172.1 | -179.5 | -59.5 | -121.4 | 2.8 | 111.1 | L654 D655 R660 F661 T662 A808 G809 | L654-R658 WeakPolarHBondContact O-CB 3.2Å; L654-R658 PolarHBondContact O-N 2.92Å; D655-R658 WeakPolarHBondContact O-CB 3.44Å; D655-R658 PolarHBondContact O-N 3.42Å; D655-R658 VanDerWaalsContact O-N 3.13Å; R658-R660 PolarHBondContact O-N 2.94Å; R658-F661 PolarHBondContact O-N 3.14Å; R658-T662 PolarHBondContact O-N 3.16Å; R658-T662 PolarHBondContact O-OG1 2.85Å; R658-A808 PolarHBondContact NH2-O 3.46Å; R658-G809 PolarHBondContact NH1-O 3.18Å |
| 659 | G | 96.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.5 | -33.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D655 L656 S789 | D655-G659 PolarHBondContact O-N 2.62Å; L656-G659 PolarHBondContact O-N 3.35Å; G659-S789 WeakPolarHBondContact CA-O 3.22Å |
| 660 | R | 97.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.5 | -44.2 | 172.3 | -175 | 69.8 | 67.8 | -168.1 | -1.9 | 112 | W636 L656 H657 R658 Q663 V670 E766 L767 L769 | W636-R660 HydrophobicContact CH2-CB 3.67Å; W636-R660 HydrophobicContact CH2-CG 3.91Å; W636-R660 HydrophobicContact CZ2-CB 4.27Å; W636-R660 HydrophobicContact CZ2-CG 4.1Å; W636-R660 HydrophobicContact CZ3-CB 3.99Å; W636-R660 HydrophobicContact CZ3-CG 4.14Å; L656-R660 WeakPolarHBondContact O-CB 3.31Å; L656-R660 PolarHBondContact O-N 2.92Å; H657-R660 PolarHBondContact O-N 2.78Å; R658-R660 PolarHBondContact O-N 2.94Å; R660-Q663 VanDerWaalsContact O-CG 3.25Å; R660-Q663 WeakPolarHBondContact O-CG 3.31Å; R660-Q663 PolarHBondContact O-NE2 2.84Å; R660-V670 WeakPolarHBondContact O-CG2 3.39Å; R660-E766 PolarHBondContact NH1-O 3.23Å; R660-L767 PolarHBondContact NH2-O 3.49Å; R660-L769 HydrophobicContact CB-CD2 4.22Å |
| 661 | F | 97.7 | Very high | 96.6 | Very high | 11 Ų | 11 | 17.7 Ų | 17.7 | 5% | 0.048 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -96.1 | -6.5 | -170 | -71.5 | -69.8 | 0 | 0 | 0 | 115.6 | S331 W636 H657 R658 Q663 G666 V670 | S331-F661 VanDerWaalsContact CA-CZ 3.46Å; W636-F661 AromaticContact CZ2-CE2 3.91Å; W636-F661 HydrophobicContact CZ2-CE2 3.91Å; H657-F661 AromaticContact CD2-CD2 3.56Å; H657-F661 AromaticContact CD2-CE2 3.5Å; H657-F661 AromaticContact CE1-CD2 3.64Å; H657-F661 AromaticContact CG-CD2 3.91Å; H657-F661 AromaticContact ND1-CD2 3.95Å; H657-F661 AromaticContact NE2-CD2 3.36Å; H657-F661 WeakPolarHBondContact NE2-CD2 3.43Å; H657-F661 AromaticContact NE2-CE2 3.46Å; H657-F661 WeakPolarHBondContact NE2-CE2 3.47Å; H657-F661 VanDerWaalsContact O-CD2 3.23Å; H657-F661 WeakPolarHBondContact O-CD2 3.35Å; H657-F661 PolarHBondContact O-N 3.15Å; R658-F661 PolarHBondContact O-N 3.14Å; F661-Q663 PolarHBondContact O-N 3.15Å; F661-G666 WeakPolarHBondContact O-CA 3.31Å; F661-V670 HydrophobicContact CD1-CG2 3.79Å; F661-V670 HydrophobicContact CE1-CB 4.5Å; F661-V670 HydrophobicContact CE1-CG2 4.09Å |
| 662 | T | 94.9 | Very high | 96.7 | Very high | 55 Ų | 55 | 16.9 Ų | 16.9 | 34% | 0.337 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -63.8 | -27.3 | 168.6 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | L310 R658 G666 | L310-T662 HydrophobicContact CD2-CG2 3.89Å; R658-T662 PolarHBondContact O-N 3.16Å; R658-T662 PolarHBondContact O-OG1 2.85Å; T662-G666 PolarHBondContact O-N 2.89Å |
| 663 | Q | 94.3 | Very high | 96.6 | Very high | 9 Ų | 9 | 15.4 Ų | 15.4 | 4% | 0.042 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 164.1 | 178.5 | 82.6 | -171.8 | -64.6 | 0 | 0 | 112.6 | R660 F661 G665 G666 V670 C794 | R660-Q663 VanDerWaalsContact O-CG 3.25Å; R660-Q663 WeakPolarHBondContact O-CG 3.31Å; R660-Q663 PolarHBondContact O-NE2 2.84Å; F661-Q663 PolarHBondContact O-N 3.15Å; Q663-G665 VanDerWaalsContact C-N 3.31Å; Q663-G665 PolarHBondContact O-N 3.37Å; Q663-G666 PolarHBondContact O-N 3.39Å; Q663-V670 VanDerWaalsContact CD-CG1 3.49Å; Q663-V670 HydrophobicContact CG-CB 4.44Å; Q663-V670 HydrophobicContact CG-CG1 4.07Å; Q663-V670 HydrophobicContact CG-CG2 3.55Å; Q663-C794 VanDerWaalsContact CB-SG 3.53Å |
| 664 | N | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 43.8 | 176.2 | -167.6 | 41.9 | 0 | 0 | 0 | 112.5 | H314 G316 V317 C318 Q319 M321 G666 S667 Y669 | H314-N664 PolarHBondContact O-N 3.46Å; G316-N664 CarbonylContact O-C 3.5Å; V317-N664 WeakPolarHBondContact CA-OD1 3.36Å; V317-N664 WeakPolarHBondContact CG1-OD1 3.39Å; C318-N664 PolarHBondContact N-OD1 2.52Å; Q319-N664 WeakPolarHBondContact CB-OD1 3.32Å; Q319-N664 HydrophobicContact CG-CB 4.12Å; Q319-N664 PolarHBondContact N-OD1 3.05Å; M321-N664 PolarHBondContact SD-ND2 2.86Å; M321-N664 VanDerWaalsContact SD-ND2 3.44Å; N664-G666 VanDerWaalsContact C-N 3.34Å; N664-G666 PolarHBondContact O-N 2.82Å; N664-S667 PolarHBondContact ND2-OG 2.75Å; N664-S667 VanDerWaalsContact O-CB 3.29Å; N664-S667 WeakPolarHBondContact O-CB 3.2Å; N664-S667 PolarHBondContact O-N 3.05Å; N664-S667 PolarHBondContact O-OG 3.45Å; N664-Y669 PolarHBondContact ND2-O 3.2Å |
| 665 | G | 95.6 | Very high | 95.8 | Very high | 25 Ų | 25 | 13.6 Ų | 13.6 | 26% | 0.258 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 23.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H314 L315 G316 Q663 S667 | H314-G665 WeakPolarHBondContact O-CA 3.03Å; H314-G665 PolarHBondContact O-N 3.32Å; L315-G665 WeakPolarHBondContact O-CA 3.4Å; G316-G665 VanDerWaalsContact C-CA 3.48Å; G316-G665 WeakPolarHBondContact O-CA 3.45Å; G316-G665 PolarHBondContact O-N 3.01Å; Q663-G665 VanDerWaalsContact C-N 3.31Å; Q663-G665 PolarHBondContact O-N 3.37Å; G665-S667 PolarHBondContact O-N 3.48Å; G665-S667 VanDerWaalsContact O-N 3.12Å |
| 666 | G | 96.5 | Very high | 95.4 | Very high | 26 Ų | 26 | 13.4 Ų | 13.4 | 27% | 0.268 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 21.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F661 T662 Q663 N664 G668 | F661-G666 WeakPolarHBondContact O-CA 3.31Å; T662-G666 PolarHBondContact O-N 2.89Å; Q663-G666 PolarHBondContact O-N 3.39Å; N664-G666 VanDerWaalsContact C-N 3.34Å; N664-G666 PolarHBondContact O-N 2.82Å; G666-G668 PolarHBondContact O-N 3.13Å; G666-G668 VanDerWaalsContact O-N 3.08Å |
| 667 | S | 97.5 | Very high | 95 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.014 | 9% | 0.087 | C | C | . | . | trans | -67.8 | -12.8 | -169.8 | 60.3 | 0 | 0 | 0 | 0 | 114.2 | R361 S415 N664 G665 Y669 | R361-S667 WeakPolarHBondContact CG-O 3.43Å; S415-S667 WeakPolarHBondContact CB-O 3.29Å; S415-S667 PolarHBondContact OG-O 3.23Å; N664-S667 PolarHBondContact ND2-OG 2.75Å; N664-S667 VanDerWaalsContact O-CB 3.29Å; N664-S667 WeakPolarHBondContact O-CB 3.2Å; N664-S667 PolarHBondContact O-N 3.05Å; N664-S667 PolarHBondContact O-OG 3.45Å; G665-S667 PolarHBondContact O-N 3.48Å; G665-S667 VanDerWaalsContact O-N 3.12Å; S667-Y669 PolarHBondContact O-N 3.47Å; S667-Y669 PolarHBondContact OG-N 3.24Å; S667-Y669 PolarHBondContact OG-O 2.96Å | ||
| 668 | G | 97.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 76.1 | 5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I330 S331 G359 G666 | I330-G668 WeakPolarHBondContact CA-O 3.49Å; S331-G668 PolarHBondContact N-O 3.41Å; G359-G668 WeakPolarHBondContact O-CA 3.22Å; G666-G668 PolarHBondContact O-N 3.13Å; G666-G668 VanDerWaalsContact O-N 3.08Å |
| 669 | Y | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 125 | 173.6 | -75.7 | -90.3 | 0 | 0 | 0 | 110.2 | M321 L325 Y328 Y329 I330 R361 Y417 P418 P467 N664 S667 | M321-Y669 HydrophobicContact CE-CG 4.17Å; L325-Y669 HydrophobicContact CD2-CE1 3.62Å; Y328-Y669 HydrophobicContact CG-CD1 4.19Å; Y329-Y669 WeakPolarHBondContact O-CA 3.22Å; I330-Y669 HydrophobicContact CB-CE1 4.34Å; I330-Y669 HydrophobicContact CD1-CD1 4.37Å; I330-Y669 HydrophobicContact CD1-CE1 3.67Å; I330-Y669 HydrophobicContact CG1-CD1 3.87Å; I330-Y669 HydrophobicContact CG1-CE1 3.6Å; I330-Y669 HydrophobicContact CG2-CD1 4.49Å; I330-Y669 HydrophobicContact CG2-CE1 3.93Å; R361-Y669 HydrophobicContact CB-CD2 4.34Å; R361-Y669 HydrophobicContact CB-CE2 3.67Å; R361-Y669 HydrophobicContact CG-CD2 3.74Å; R361-Y669 HydrophobicContact CG-CE2 3.41Å; R361-Y669 VanDerWaalsContact CG-CE2 3.41Å; Y417-Y669 HydrophobicContact CG-CD2 4.19Å; P418-Y669 HydrophobicContact CG-CE2 4.35Å; P418-Y669 WeakPolarHBondContact O-CE2 3.41Å; P418-Y669 PolarHBondContact O-OH 3.11Å; P467-Y669 HydrophobicContact CB-CD1 4.4Å; P467-Y669 HydrophobicContact CG-CD1 3.9Å; P467-Y669 HydrophobicContact CG-CE1 4.14Å; P467-Y669 HydrophobicContact CG-CG 4.42Å; N664-Y669 PolarHBondContact ND2-O 3.2Å; S667-Y669 PolarHBondContact O-N 3.47Å; S667-Y669 PolarHBondContact OG-N 3.24Å; S667-Y669 PolarHBondContact OG-O 2.96Å |
| 670 | V | 98.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.024 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.7 | 179.4 | 173.7 | 0 | 0 | 0 | 0 | 108.9 | Y328 Y329 R660 F661 Q663 R672 | Y328-V670 CarbonylContact C-O 3.56Å; Y328-V670 WeakPolarHBondContact CA-O 3.27Å; Y329-V670 HydrophobicContact CD2-CG1 4.42Å; Y329-V670 PolarHBondContact N-O 3.48Å; Y329-V670 PolarHBondContact O-N 3.12Å; R660-V670 WeakPolarHBondContact O-CG2 3.39Å; F661-V670 HydrophobicContact CD1-CG2 3.79Å; F661-V670 HydrophobicContact CE1-CB 4.5Å; F661-V670 HydrophobicContact CE1-CG2 4.09Å; Q663-V670 VanDerWaalsContact CD-CG1 3.49Å; Q663-V670 HydrophobicContact CG-CB 4.44Å; Q663-V670 HydrophobicContact CG-CG1 4.07Å; Q663-V670 HydrophobicContact CG-CG2 3.55Å; V670-R672 PolarHBondContact O-N 3.15Å |
| 671 | L | 96.4 | Very high | 91.4 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 129.5 | 179.4 | -170.4 | 64.2 | 0 | 0 | 0 | 110.4 | Q319 L323 H327 Y328 L837 | Q319-L671 HydrophobicContact CB-CB 4.37Å; L323-L671 HydrophobicContact CD1-CD1 3.6Å; L323-L671 HydrophobicContact CD1-CD2 4.03Å; L323-L671 HydrophobicContact CD1-CG 4.47Å; H327-L671 HydrophobicContact CB-CD1 4.15Å; Y328-L671 HydrophobicContact CD1-CB 4.18Å; Y328-L671 HydrophobicContact CD1-CD1 4.05Å; Y328-L671 HydrophobicContact CE1-CB 4.12Å; Y328-L671 HydrophobicContact CE1-CD1 3.67Å; Y328-L671 HydrophobicContact CE1-CG 4.49Å; Y328-L671 HydrophobicContact CE2-CD1 4.35Å; L671-L837 HydrophobicContact CB-CD2 4.11Å; L671-L837 HydrophobicContact CD2-CD2 3.93Å; L671-L837 HydrophobicContact CG-CD2 4.27Å |
| 672 | R | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 158.4 | 176.5 | -65.1 | -169.2 | -62.3 | 155.7 | 6.4 | 110.9 | A326 H327 Y329 T611 G639 V670 M676 R677 | A326-R672 PolarHBondContact O-NE 2.98Å; A326-R672 PolarHBondContact O-NH2 2.95Å; H327-R672 VanDerWaalsContact O-CB 3.29Å; H327-R672 WeakPolarHBondContact O-CB 3.27Å; H327-R672 VanDerWaalsContact O-CG 3.32Å; H327-R672 WeakPolarHBondContact O-CG 3.33Å; H327-R672 PolarHBondContact O-N 3.39Å; Y329-R672 HydrophobicContact CD1-CG 3.91Å; Y329-R672 HydrophobicContact CD2-CG 3.88Å; Y329-R672 HydrophobicContact CE1-CG 3.76Å; Y329-R672 HydrophobicContact CE2-CB 4.3Å; Y329-R672 HydrophobicContact CE2-CG 3.74Å; Y329-R672 HydrophobicContact CG-CG 3.96Å; T611-R672 PolarHBondContact O-NH1 3.25Å; T611-R672 PolarHBondContact O-NH2 3.44Å; T611-R672 PolarHBondContact OG1-NH1 3.15Å; G639-R672 PolarHBondContact O-NH1 3.35Å; V670-R672 PolarHBondContact O-N 3.15Å; R672-M676 HydrophobicContact CB-CB 4.45Å; R672-M676 PolarHBondContact NH2-O 2.72Å; R672-R677 HydrophobicContact CB-CG 4.16Å; R672-R677 WeakPolarHBondContact O-CD 3.38Å; R672-R677 PolarHBondContact O-NE 3Å |
| 673 | P | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -55.5 | 147.2 | 175.6 | -22.2 | 29.8 | 0 | 0 | 0 | 112.8 | V675 M676 M764 E766 L767 | P673-V675 HydrophobicContact CB-CG2 4.09Å; P673-V675 PolarHBondContact O-N 2.94Å; P673-M676 HydrophobicContact CG-SD 4.25Å; P673-M676 PolarHBondContact O-N 3.22Å; P673-M764 HydrophobicContact CB-CE 3.47Å; P673-M764 VanDerWaalsContact CB-CE 3.47Å; P673-M764 HydrophobicContact CG-CE 3.95Å; P673-E766 WeakPolarHBondContact CA-OE2 3.33Å; P673-E766 HydrophobicContact CB-CB 3.95Å; P673-E766 HydrophobicContact CG-CB 3.8Å; P673-L767 HydrophobicContact CG-CD2 3.59Å; P673-L767 HydrophobicContact CG-CG 3.74Å |
| 674 | A | 88.3 | Confident | 89.2 | Confident | 19 Ų | 19 | 31.3 Ų | 31.3 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -55.3 | -38.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | M676 R677 D678 | A674-M676 PolarHBondContact O-N 3.44Å; A674-M676 VanDerWaalsContact O-N 3.14Å; A674-R677 PolarHBondContact O-N 3.25Å; A674-D678 PolarHBondContact O-N 3.34Å |
| 675 | V | 87.7 | Confident | 88.2 | Confident | 16 Ų | 16 | 31.6 Ų | 31.6 | 10% | 0.097 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -62.1 | -20.6 | 177.2 | -61.2 | 0 | 0 | 0 | 0 | 113.9 | P673 S681 F683 V691 V694 M764 | P673-V675 HydrophobicContact CB-CG2 4.09Å; P673-V675 PolarHBondContact O-N 2.94Å; V675-S681 WeakPolarHBondContact O-CB 3.43Å; V675-S681 PolarHBondContact O-OG 2.9Å; V675-F683 HydrophobicContact CB-CB 4.28Å; V675-F683 HydrophobicContact CG2-CB 4.3Å; V675-F683 HydrophobicContact CG2-CD2 3.85Å; V675-F683 HydrophobicContact CG2-CE2 4.45Å; V675-F683 HydrophobicContact CG2-CG 4.1Å; V675-V691 HydrophobicContact CG1-CG1 4.41Å; V675-V694 HydrophobicContact CG1-CG2 3.85Å; V675-M764 HydrophobicContact CG2-CE 3.73Å; V675-M764 HydrophobicContact CG2-SD 4.39Å |
| 676 | M | 89.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -96.3 | 1 | 175.4 | -66.1 | -176.6 | 167.7 | 0 | 0 | 113.5 | Y329 V608 K612 K637 R672 P673 A674 F683 L767 | Y329-M676 PolarHBondContact OH-SD 2.8Å; Y329-M676 VanDerWaalsContact OH-SD 3.4Å; V608-M676 HydrophobicContact CG1-CB 4.48Å; V608-M676 HydrophobicContact CG1-CG 4.17Å; K612-M676 VanDerWaalsContact CG-O 3.27Å; K612-M676 WeakPolarHBondContact CG-O 3.34Å; K637-M676 WeakPolarHBondContact O-CE 3.33Å; R672-M676 HydrophobicContact CB-CB 4.45Å; R672-M676 PolarHBondContact NH2-O 2.72Å; P673-M676 HydrophobicContact CG-SD 4.25Å; P673-M676 PolarHBondContact O-N 3.22Å; A674-M676 PolarHBondContact O-N 3.44Å; A674-M676 VanDerWaalsContact O-N 3.14Å; M676-F683 HydrophobicContact CE-CD1 3.69Å; M676-F683 HydrophobicContact CE-CE1 3.21Å; M676-F683 HydrophobicContact CE-CZ 3.9Å; M676-F683 HydrophobicContact CG-CD1 4.29Å; M676-L767 HydrophobicContact CE-CD1 3.55Å; M676-L767 HydrophobicContact CE-CD2 4.24Å; M676-L767 HydrophobicContact CE-CG 4.44Å; M676-L767 HydrophobicContact SD-CD2 4.3Å |
| 677 | R | 88.8 | Confident | 86.4 | Confident | 26 Ų | 26 | 35.3 Ų | 35.3 | 10% | 0.098 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -42.6 | -177 | -64.7 | -173.4 | -70.3 | 97.2 | -9.2 | 112.5 | H327 R672 A674 G836 | H327-R677 HydrophobicContact CB-CG 4.03Å; R672-R677 HydrophobicContact CB-CG 4.16Å; R672-R677 WeakPolarHBondContact O-CD 3.38Å; R672-R677 PolarHBondContact O-NE 3Å; A674-R677 PolarHBondContact O-N 3.25Å; R677-G836 PolarHBondContact NH2-O 2.79Å |
| 678 | D | 84.7 | Confident | 84.9 | Confident | 67 Ų | 67 | 44.2 Ų | 44.2 | 36% | 0.358 | 22% | 0.224 | S | C | . | . | trans | -68.6 | 136.3 | -172.6 | -68.8 | -7 | 0 | 0 | 0 | 111.4 | K612 A674 V680 S681 | K612-D678 WeakPolarHBondContact CE-O 3.31Å; K612-D678 PolarHBondContact NZ-O 3.25Å; A674-D678 PolarHBondContact O-N 3.34Å; D678-V680 VanDerWaalsContact C-N 3.29Å; D678-V680 PolarHBondContact O-N 2.85Å; D678-S681 PolarHBondContact O-N 3.4Å; D678-S681 PolarHBondContact O-OG 3.47Å | ||
| 679 | E | 75.9 | Confident | 83.4 | Confident | 114 Ų | 114 | 46 Ų | 46 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -34.4 | -173.3 | -62.2 | -167.6 | 134.6 | 0 | 0 | 113 | R460 R613 | R460-E679 IonicContact NH1-OE2 3.55Å; R613-E679 IonicContact CZ-OE1 3.81Å; R613-E679 IonicContact NE-OE1 3.16Å; R613-E679 IonicContact NH2-OE1 3.6Å; R613-E679 PolarHBondContact NH2-OE1 3.06Å |
| 680 | V | 75.9 | Confident | 82 | Confident | 148 Ų | 148 | 49 Ų | 49 | 90% | 0.897 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 2.3 | -176.5 | -66.8 | 0 | 0 | 0 | 0 | 114 | D678 | D678-V680 VanDerWaalsContact C-N 3.29Å; D678-V680 PolarHBondContact O-N 2.85Å |
| 681 | S | 76.3 | Confident | 80.8 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | trans | -84.4 | 141.4 | 177.5 | 64.3 | 0 | 0 | 0 | 0 | 112 | K612 V675 D678 | K612-S681 PolarHBondContact NZ-O 2.85Å; K612-S681 PolarHBondContact NZ-OG 3.33Å; V675-S681 WeakPolarHBondContact O-CB 3.43Å; V675-S681 PolarHBondContact O-OG 2.9Å; D678-S681 PolarHBondContact O-N 3.4Å; D678-S681 PolarHBondContact O-OG 3.47Å | ||
| 682 | Y | 75.9 | Confident | 79.7 | Confident | 162 Ų | 162 | 53.7 Ų | 53.7 | 64% | 0.635 | 29% | 0.294 | S | S | * | . | trans | -111.7 | 129.4 | 169.2 | -175.9 | -96.2 | 0 | 0 | 0 | 109.2 | E605 | E605-Y682 HydrophobicContact CB-CE2 4.08Å; E605-Y682 HydrophobicContact CG-CE1 4.41Å; E605-Y682 HydrophobicContact CG-CE2 4.06Å; E605-Y682 WeakPolarHBondContact CG-OH 3.45Å | ||
| 683 | F | 83.4 | Confident | 78.7 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | trans | -143.7 | 133.5 | 179.5 | 174.4 | -95.5 | 0 | 0 | 0 | 110.1 | V608 V675 M676 A685 V691 V733 M764 L767 | V608-F683 HydrophobicContact CG1-CB 4.47Å; V608-F683 HydrophobicContact CG1-CD1 4.26Å; V608-F683 HydrophobicContact CG2-CD1 4.01Å; V675-F683 HydrophobicContact CB-CB 4.28Å; V675-F683 HydrophobicContact CG2-CB 4.3Å; V675-F683 HydrophobicContact CG2-CD2 3.85Å; V675-F683 HydrophobicContact CG2-CE2 4.45Å; V675-F683 HydrophobicContact CG2-CG 4.1Å; M676-F683 HydrophobicContact CE-CD1 3.69Å; M676-F683 HydrophobicContact CE-CE1 3.21Å; M676-F683 HydrophobicContact CE-CZ 3.9Å; M676-F683 HydrophobicContact CG-CD1 4.29Å; F683-A685 HydrophobicContact CE1-CB 4.25Å; F683-A685 HydrophobicContact CZ-CB 4.46Å; F683-V691 HydrophobicContact CD2-CG1 3.84Å; F683-V691 HydrophobicContact CD2-CG2 4.44Å; F683-V691 HydrophobicContact CE2-CG1 4.2Å; F683-V691 HydrophobicContact CE2-CG2 4.07Å; F683-V733 HydrophobicContact CZ-CG1 4Å; F683-M764 HydrophobicContact CE2-SD 4.24Å; F683-L767 HydrophobicContact CZ-CD1 4.04Å | ||
| 684 | S | 82.9 | Confident | 78.3 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | trans | -127 | 133.7 | 167.7 | -171.8 | 0 | 0 | 0 | 0 | 108.8 | E605 H686 T687 | E605-S684 WeakPolarHBondContact OE1-CB 3.39Å; E605-S684 PolarHBondContact OE1-OG 3.32Å; S684-H686 PolarHBondContact O-N 3.39Å; S684-H686 PolarHBondContact OG-N 3.39Å; S684-T687 WeakPolarHBondContact CB-OG1 3.41Å; S684-T687 PolarHBondContact O-N 3.5Å; S684-T687 PolarHBondContact O-OG1 3.06Å; S684-T687 VanDerWaalsContact O-OG1 3.1Å | ||
| 685 | A | 75.6 | Confident | 78 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 5% | 0.05 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K637 F683 P734 | K637-A685 HydrophobicContact CB-CB 3.94Å; K637-A685 HydrophobicContact CD-CB 3.9Å; K637-A685 HydrophobicContact CG-CB 3.92Å; F683-A685 HydrophobicContact CE1-CB 4.25Å; F683-A685 HydrophobicContact CZ-CB 4.46Å; A685-P734 VanDerWaalsContact O-CD 3.22Å; A685-P734 WeakPolarHBondContact O-CD 3.36Å |
| 686 | H | 80.7 | Confident | 77.9 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 34% | 0.338 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 7.7 | 179.3 | -57 | 104.5 | 0 | 0 | 0 | 113.4 | T600 S684 H688 | T600-H686 PolarHBondContact O-CE1 2.95Å; S684-H686 PolarHBondContact O-N 3.39Å; S684-H686 PolarHBondContact OG-N 3.39Å; H686-H688 PolarHBondContact O-N 3.48Å; H686-H688 VanDerWaalsContact O-N 3.13Å |
| 687 | T | 73.6 | Confident | 77.9 | Confident | 56 Ų | 56 | 61.4 Ų | 61.4 | 34% | 0.344 | 36% | 0.357 | S | S | . | . | trans | -59.3 | 120.7 | 176.9 | -60.9 | 0 | 0 | 0 | 0 | 110.3 | S684 G689 | S684-T687 WeakPolarHBondContact CB-OG1 3.41Å; S684-T687 PolarHBondContact O-N 3.5Å; S684-T687 PolarHBondContact O-OG1 3.06Å; S684-T687 VanDerWaalsContact O-OG1 3.1Å; T687-G689 PolarHBondContact O-N 3.43Å | ||
| 688 | H | 65.8 | Low | 78.1 | Confident | 189 Ų | 189 | 60.5 Ų | 60.5 | 88% | 0.875 | 36% | 0.355 | S | S | * | . | trans | -78.5 | 116.3 | 172.9 | -62.9 | -77 | 0 | 0 | 0 | 109.5 | H686 | H686-H688 PolarHBondContact O-N 3.48Å; H686-H688 VanDerWaalsContact O-N 3.13Å | ||
| 689 | G | 66.8 | Low | 78.7 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 110.1 | -158.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | T687 | T687-G689 PolarHBondContact O-N 3.43Š|
| 690 | C | 68.1 | Low | 79.6 | Confident | 64 Ų | 64 | 57 Ų | 57 | 43% | 0.432 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 131.8 | -177.4 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | R826 | C690-R826 PolarHBondContact SG-NH1 3.25Š|
| 691 | V | 74.3 | Confident | 80.7 | Confident | 10 Ų | 10 | 50 Ų | 50 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 128.2 | 172.4 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | V675 F683 G693 V694 M764 | V675-V691 HydrophobicContact CG1-CG1 4.41Å; F683-V691 HydrophobicContact CD2-CG1 3.84Å; F683-V691 HydrophobicContact CD2-CG2 4.44Å; F683-V691 HydrophobicContact CE2-CG1 4.2Å; F683-V691 HydrophobicContact CE2-CG2 4.07Å; V691-G693 PolarHBondContact O-N 3.24Å; V691-V694 HydrophobicContact CB-CB 4.12Å; V691-V694 HydrophobicContact CB-CG2 4.34Å; V691-V694 HydrophobicContact CG1-CB 4.31Å; V691-V694 HydrophobicContact CG1-CG2 3.98Å; V691-V694 PolarHBondContact O-N 3.1Å; V691-M764 HydrophobicContact CB-SD 4.41Å; V691-M764 HydrophobicContact CG1-SD 4.3Å; V691-M764 HydrophobicContact CG2-SD 4.28Å |
| 692 | P | 73 | Confident | 81.6 | Confident | 101 Ų | 101 | 51 Ų | 51 | 66% | 0.656 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 128.2 | 179.1 | -26.8 | 35 | 0 | 0 | 0 | 112.3 | V694 | P692-V694 VanDerWaalsContact C-N 3.27Å; P692-V694 PolarHBondContact O-N 3.26Å |
| 693 | G | 74.1 | Confident | 82.6 | Confident | 86 Ų | 86 | 43.3 Ų | 43.3 | 89% | 0.887 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -4.7 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | V691 | V691-G693 PolarHBondContact O-N 3.24Š|
| 694 | V | 81.8 | Confident | 83 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | trans | -114 | 114.7 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | V675 V691 P692 M764 | V675-V694 HydrophobicContact CG1-CG2 3.85Å; V691-V694 HydrophobicContact CB-CB 4.12Å; V691-V694 HydrophobicContact CB-CG2 4.34Å; V691-V694 HydrophobicContact CG1-CB 4.31Å; V691-V694 HydrophobicContact CG1-CG2 3.98Å; V691-V694 PolarHBondContact O-N 3.1Å; P692-V694 VanDerWaalsContact C-N 3.27Å; P692-V694 PolarHBondContact O-N 3.26Å; V694-M764 HydrophobicContact CB-SD 4.24Å; V694-M764 HydrophobicContact CG1-CE 4.35Å; V694-M764 HydrophobicContact CG1-SD 3.9Å; V694-M764 HydrophobicContact CG2-CE 3.97Å; V694-M764 HydrophobicContact CG2-SD 3.88Å | ||
| 695 | P | 82.1 | Confident | 83.4 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | trans | -74.1 | 126.3 | 178.4 | 28.8 | -31.5 | 0 | 0 | 0 | 110.3 | A832 | P695-A832 HydrophobicContact CG-CB 4.22Š| ||
| 696 | P | 86 | Confident | 84.2 | Confident | 18 Ų | 18 | 43 Ų | 43 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | trans | -66.6 | 143.8 | 172.7 | 29.2 | -36.3 | 0 | 0 | 0 | 110.7 | V762 R826 | P696-V762 CarbonylContact C-O 3.52Å; P696-V762 WeakPolarHBondContact CA-O 3.48Å; P696-R826 HydrophobicContact CB-CG 4.37Å; P696-R826 HydrophobicContact CG-CG 3.97Å | ||
| 697 | Q | 91.3 | Very high | 84.5 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 156.6 | -179.9 | -65.7 | -175.3 | 78.2 | 0 | 0 | 110.4 | V762 P765 F792 I823 T824 | Q697-V762 PolarHBondContact N-O 2.78Å; Q697-V762 PolarHBondContact O-N 2.91Å; Q697-P765 HydrophobicContact CB-CG 4.36Å; Q697-P765 HydrophobicContact CG-CG 4.19Å; Q697-P765 VanDerWaalsContact NE2-CG 3.31Å; Q697-F792 HydrophobicContact CB-CZ 3.96Å; Q697-I823 HydrophobicContact CB-CG2 4.4Å; Q697-T824 CarbonylContact C-O 3.53Å; Q697-T824 WeakPolarHBondContact CA-O 3.44Å |
| 698 | T | 92.8 | Very high | 85.1 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.1 | 173.4 | -60.4 | 0 | 0 | 0 | 0 | 107.8 | E759 F760 Q761 I823 T824 | T698-E759 HydrophobicContact CG2-CG 3.52Å; T698-E759 WeakPolarHBondContact CG2-OE1 3.5Å; T698-F760 WeakPolarHBondContact CA-O 3.42Å; T698-Q761 PolarHBondContact OG1-NE2 3.24Å; T698-Q761 PolarHBondContact OG1-OE1 3.01Å; T698-I823 WeakPolarHBondContact O-CA 3.1Å; T698-T824 PolarHBondContact N-O 2.72Å; T698-T824 PolarHBondContact O-N 3.19Å |
| 699 | L | 95.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 120.7 | 177.1 | 169.5 | 64.1 | 0 | 0 | 0 | 108.7 | I701 E759 F760 V762 L770 F792 L795 V821 I823 | L699-I701 HydrophobicContact CD1-CD1 4.3Å; L699-I701 HydrophobicContact CD1-CG1 3.87Å; L699-I701 HydrophobicContact CD2-CD1 3.98Å; L699-I701 HydrophobicContact CD2-CG1 4.33Å; L699-I701 HydrophobicContact CG-CD1 4.08Å; L699-I701 HydrophobicContact CG-CG1 3.87Å; L699-E759 CarbonylContact O-C 3.52Å; L699-E759 WeakPolarHBondContact O-CA 3.24Å; L699-F760 HydrophobicContact CB-CB 4.4Å; L699-F760 HydrophobicContact CD2-CD2 4.47Å; L699-F760 HydrophobicContact CG-CD2 4.44Å; L699-F760 PolarHBondContact N-O 3.32Å; L699-F760 PolarHBondContact O-N 2.92Å; L699-V762 HydrophobicContact CB-CG2 4.26Å; L699-L770 HydrophobicContact CD2-CD2 4.47Å; L699-F792 HydrophobicContact CB-CE2 3.85Å; L699-F792 HydrophobicContact CD2-CD2 4.06Å; L699-F792 HydrophobicContact CD2-CE2 3.97Å; L699-F792 HydrophobicContact CG-CE2 4.38Å; L699-L795 HydrophobicContact CD1-CD1 4.07Å; L699-L795 HydrophobicContact CD2-CD1 4.03Å; L699-V821 HydrophobicContact CD1-CG1 3.9Å; L699-I823 HydrophobicContact CD1-CD1 4.34Å; L699-I823 HydrophobicContact CD1-CG1 3.76Å |
| 700 | R | 96.1 | Very high | 87.2 | Confident | 107 Ų | 107 | 31.6 Ų | 31.6 | 40% | 0.404 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131 | 169.2 | -71 | -177.9 | -174.3 | 124.3 | 6.5 | 109.6 | F758 E759 A822 | R700-F758 CarbonylContact C-O 3.51Å; R700-F758 VanDerWaalsContact CA-O 3.26Å; R700-F758 WeakPolarHBondContact CA-O 3.47Å; R700-E759 HydrophobicContact CG-CB 4.17Å; R700-E759 HydrophobicContact CG-CG 3.94Å; R700-E759 IonicContact CZ-OE2 3.04Å; R700-E759 IonicContact NE-OE2 3.82Å; R700-E759 PolarHBondContact NE-OE2 3.5Å; R700-E759 IonicContact NH2-OE2 3.94Å; R700-E759 PolarHBondContact NH2-OE2 3.14Å; R700-A822 HydrophobicContact CB-CB 4.26Å; R700-A822 PolarHBondContact N-O 3.07Å; R700-A822 PolarHBondContact O-N 3.25Å |
| 701 | I | 97.8 | Very high | 88 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 117.8 | 177.9 | -55.4 | 179.6 | 0 | 0 | 0 | 107.4 | L699 V703 L728 T757 F758 F760 L770 F772 V819 H820 | L699-I701 HydrophobicContact CD1-CD1 4.3Å; L699-I701 HydrophobicContact CD1-CG1 3.87Å; L699-I701 HydrophobicContact CD2-CD1 3.98Å; L699-I701 HydrophobicContact CD2-CG1 4.33Å; L699-I701 HydrophobicContact CG-CD1 4.08Å; L699-I701 HydrophobicContact CG-CG1 3.87Å; I701-V703 HydrophobicContact CG2-CG2 4.21Å; I701-L728 HydrophobicContact CB-CD1 4.12Å; I701-L728 HydrophobicContact CD1-CD1 4.29Å; I701-L728 HydrophobicContact CG2-CD1 4.03Å; I701-T757 CarbonylContact O-C 3.55Å; I701-T757 WeakPolarHBondContact O-CA 3.39Å; I701-F758 PolarHBondContact N-O 3.34Å; I701-F758 PolarHBondContact O-N 3.48Å; I701-F760 HydrophobicContact CD1-CE2 4.21Å; I701-L770 HydrophobicContact CD1-CD1 3.71Å; I701-L770 HydrophobicContact CD1-CD2 3.27Å; I701-L770 HydrophobicContact CD1-CG 4.1Å; I701-F772 HydrophobicContact CD1-CZ 4.47Å; I701-F772 HydrophobicContact CG2-CE1 4.3Å; I701-V819 HydrophobicContact CG2-CB 4.46Å; I701-H820 WeakPolarHBondContact CA-O 3.43Å |
| 702 | K | 95.7 | Very high | 88.3 | Confident | 49 Ų | 49 | 33.2 Ų | 33.2 | 21% | 0.213 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 113.6 | 167.1 | -173.6 | 172.5 | -177.1 | -178.1 | 0 | 108.6 | I704 D755 E756 T757 V819 H820 | K702-I704 HydrophobicContact CD-CG1 4.39Å; K702-I704 HydrophobicContact CG-CG1 4.05Å; K702-D755 WeakPolarHBondContact CE-OD1 3.17Å; K702-D755 IonicContact NZ-OD1 2.81Å; K702-D755 PolarHBondContact NZ-OD1 3.43Å; K702-D755 IonicContact NZ-OD2 3Å; K702-D755 PolarHBondContact NZ-OD2 2.8Å; K702-D755 VanDerWaalsContact NZ-OD2 3.08Å; K702-E756 CarbonylContact C-O 3.5Å; K702-E756 VanDerWaalsContact CA-O 3.27Å; K702-E756 WeakPolarHBondContact CA-O 3.25Å; K702-T757 WeakPolarHBondContact CG-OG1 3.47Å; K702-V819 CarbonylContact O-C 3.51Å; K702-V819 WeakPolarHBondContact O-CA 3.38Å; K702-V819 WeakPolarHBondContact O-CB 3.41Å; K702-H820 HydrophobicContact CB-CB 4.17Å; K702-H820 PolarHBondContact N-O 2.93Å; K702-H820 PolarHBondContact O-N 3.11Å |
| 703 | V | 96.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 109.9 | 171.9 | -176.6 | 0 | 0 | 0 | 0 | 106.9 | I701 V726 L728 T742 F754 D755 E756 F758 | I701-V703 HydrophobicContact CG2-CG2 4.21Å; V703-V726 HydrophobicContact CG1-CB 4.23Å; V703-V726 HydrophobicContact CG1-CG1 4.44Å; V703-V726 HydrophobicContact CG1-CG2 4.01Å; V703-L728 HydrophobicContact CG2-CD1 3.98Å; V703-L728 HydrophobicContact CG2-CD2 4.26Å; V703-L728 HydrophobicContact CG2-CG 4.37Å; V703-T742 HydrophobicContact CB-CG2 4.05Å; V703-T742 HydrophobicContact CG1-CG2 4.11Å; V703-T742 HydrophobicContact CG2-CG2 4.37Å; V703-F754 HydrophobicContact CG1-CB 4.14Å; V703-F754 HydrophobicContact CG1-CD2 3.78Å; V703-F754 HydrophobicContact CG1-CG 4.11Å; V703-D755 WeakPolarHBondContact O-CA 3.27Å; V703-D755 PolarHBondContact O-N 2.9Å; V703-E756 PolarHBondContact N-O 3.47Å; V703-E756 PolarHBondContact O-N 3.06Å; V703-F758 HydrophobicContact CB-CE2 4.38Å; V703-F758 HydrophobicContact CG2-CD2 4.18Å; V703-F758 HydrophobicContact CG2-CE2 3.9Å |
| 704 | I | 92.2 | Very high | 87.9 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.051 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -59.7 | -170.5 | -57.1 | 165.9 | 0 | 0 | 0 | 109.5 | D236 K702 M753 F754 D755 Y799 F818 H820 | D236-I704 HydrophobicContact CB-CG2 3.95Å; K702-I704 HydrophobicContact CD-CG1 4.39Å; K702-I704 HydrophobicContact CG-CG1 4.05Å; I704-M753 HydrophobicContact CG2-CE 4.2Å; I704-F754 PolarHBondContact O-N 3.21Å; I704-D755 PolarHBondContact O-N 3.31Å; I704-D755 VanDerWaalsContact O-N 3.1Å; I704-Y799 HydrophobicContact CD1-CD1 3.7Å; I704-Y799 HydrophobicContact CD1-CE1 3.72Å; I704-F818 HydrophobicContact CB-CD1 3.98Å; I704-F818 WeakPolarHBondContact CB-O 3.29Å; I704-F818 HydrophobicContact CD1-CD1 3.78Å; I704-F818 HydrophobicContact CD1-CE1 3.76Å; I704-F818 HydrophobicContact CG1-CD1 4.49Å; I704-F818 HydrophobicContact CG2-CD1 3.99Å; I704-F818 HydrophobicContact CG2-CE1 4.47Å; I704-F818 PolarHBondContact N-O 3.24Å; I704-H820 HydrophobicContact CD1-CB 4.13Å |
| 705 | S | 92 | Very high | 87 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 171.7 | -176.1 | 69.2 | 0 | 0 | 0 | 0 | 112.2 | D236 H707 P752 M753 F818 | D236-S705 PolarHBondContact OD2-OG 3.39Å; S705-H707 PolarHBondContact OG-CE1 3.45Å; S705-P752 CarbonylContact C-O 3.55Å; S705-P752 WeakPolarHBondContact CA-O 3.36Å; S705-P752 VanDerWaalsContact CB-O 3.32Å; S705-P752 WeakPolarHBondContact CB-O 3.37Å; S705-M753 WeakPolarHBondContact CB-SD 3.44Å; S705-F818 PolarHBondContact N-O 3.09Å; S705-F818 PolarHBondContact O-N 2.77Å |
| 706 | A | 92.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 163 | 166 | 0 | 0 | 0 | 0 | 0 | 112 | L709 E751 P752 F754 S816 L817 | A706-L709 HydrophobicContact CB-CD1 3.91Å; A706-L709 HydrophobicContact CB-CD2 3.85Å; A706-L709 HydrophobicContact CB-CG 3.84Å; A706-E751 VanDerWaalsContact O-CA 3.29Å; A706-E751 WeakPolarHBondContact O-CA 3.38Å; A706-P752 HydrophobicContact CB-CG 3.68Å; A706-P752 PolarHBondContact N-O 3.41Å; A706-P752 WeakPolarHBondContact O-CD 3.38Å; A706-F754 HydrophobicContact CB-CE2 4.09Å; A706-S816 CarbonylContact C-O 3.59Å; A706-S816 WeakPolarHBondContact CA-O 3.44Å; A706-L817 HydrophobicContact CB-CD2 3.56Å |
| 707 | H | 87.5 | Confident | 84.3 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.9 | -179.9 | -60.5 | 87.4 | 0 | 0 | 0 | 110.4 | R234 S705 L709 E751 T815 S816 | R234-H707 WeakPolarHBondContact CD-NE2 3.46Å; R234-H707 PolarHBondContact NE-NE2 2.86Å; R234-H707 PolarHBondContact NH1-CE1 2.94Å; R234-H707 PolarHBondContact NH1-NE2 3.11Å; R234-H707 VanDerWaalsContact NH1-NE2 3.16Å; R234-H707 PolarHBondContact NH2-CE1 2.91Å; R234-H707 PolarHBondContact NH2-NE2 3.17Å; S705-H707 PolarHBondContact OG-CE1 3.45Å; H707-L709 VanDerWaalsContact C-N 3.29Å; H707-L709 PolarHBondContact O-N 2.87Å; H707-E751 IonicContact CD2-OE1 3.87Å; H707-T815 WeakPolarHBondContact O-CA 3.26Å; H707-S816 PolarHBondContact N-O 2.81Å; H707-S816 PolarHBondContact O-N 2.79Å |
| 708 | N | 86.4 | Confident | 82.6 | Confident | 47 Ų | 47 | 48 Ų | 48 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 48.3 | 47.8 | 168.6 | -61.6 | 4.5 | 0 | 0 | 0 | 113.4 | G195 D750 H814 T815 | G195-N708 VanDerWaalsContact C-ND2 3.33Å; G195-N708 WeakPolarHBondContact CA-ND2 3.38Å; G195-N708 PolarHBondContact O-ND2 3.01Å; N708-D750 PolarHBondContact N-O 2.85Å; N708-H814 WeakPolarHBondContact CB-O 3.34Å; N708-T815 PolarHBondContact O-OG1 2.73Å |
| 709 | L | 89.1 | Confident | 80.9 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 126.1 | 175.4 | -65.5 | -174.3 | 0 | 0 | 0 | 109.6 | A706 H707 I722 P724 P752 V774 I785 L804 T815 | A706-L709 HydrophobicContact CB-CD1 3.91Å; A706-L709 HydrophobicContact CB-CD2 3.85Å; A706-L709 HydrophobicContact CB-CG 3.84Å; H707-L709 VanDerWaalsContact C-N 3.29Å; H707-L709 PolarHBondContact O-N 2.87Å; L709-I722 HydrophobicContact CB-CD1 3.64Å; L709-I722 HydrophobicContact CD1-CD1 4.18Å; L709-P724 HydrophobicContact CD1-CB 3.6Å; L709-P724 HydrophobicContact CD1-CG 3.84Å; L709-P752 HydrophobicContact CD1-CG 3.78Å; L709-P752 HydrophobicContact CG-CG 4.44Å; L709-V774 HydrophobicContact CD1-CG1 3.89Å; L709-V774 HydrophobicContact CD2-CG1 4.23Å; L709-I785 HydrophobicContact CB-CG2 4.19Å; L709-I785 HydrophobicContact CD2-CG2 4.19Å; L709-L804 HydrophobicContact CD2-CD1 3.68Å; L709-T815 HydrophobicContact CD2-CG2 3.71Å |
| 710 | P | 87.6 | Confident | 79.2 | Confident | 47 Ų | 47 | 58.9 Ų | 58.9 | 31% | 0.305 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 160.1 | 174.2 | 31.7 | -35 | 0 | 0 | 0 | 110.1 | I785 L812 | P710-I785 HydrophobicContact CG-CG2 4.16Å; P710-L812 HydrophobicContact CG-CD1 4.08Å; P710-L812 HydrophobicContact CG-CD2 4.41Å |
| 711 | K | 83.9 | Confident | 78.2 | Confident | 101 Ų | 101 | 56.8 Ų | 56.8 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 144.1 | 167.8 | -63.9 | -174 | 179.3 | -177.4 | 0 | 109.9 | E720 I722 | K711-E720 VanDerWaalsContact CE-O 3.29Å; K711-E720 WeakPolarHBondContact CE-O 3.1Å; K711-I722 HydrophobicContact CG-CG2 4.42Å |
| 712 | P | 81.4 | Confident | 77.5 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 4% | 0.039 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 147.2 | 172.6 | -23.6 | 31.5 | 0 | 0 | 0 | 112.6 | G714 S715 D776 D783 I785 | P712-G714 PolarHBondContact O-N 2.74Å; P712-S715 VanDerWaalsContact O-CB 3.31Å; P712-S715 WeakPolarHBondContact O-CB 3.16Å; P712-S715 PolarHBondContact O-N 2.88Å; P712-S715 PolarHBondContact O-OG 2.99Å; P712-D776 HydrophobicContact CG-CB 3.93Å; P712-D783 HydrophobicContact CB-CB 3.63Å; P712-D783 HydrophobicContact CG-CB 3.64Å; P712-I785 HydrophobicContact CG-CG1 3.93Å |
| 713 | Q | 70.9 | Confident | 77.2 | Confident | 196 Ų | 196 | 58.1 Ų | 58.1 | 92% | 0.916 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 132.7 | 179 | -68.2 | -173.5 | -5.4 | 0 | 0 | 110.9 | ||
| 714 | G | 67 | Low | 77 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 86% | 0.856 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | P712 G716 | P712-G714 PolarHBondContact O-N 2.74Å; G714-G716 PolarHBondContact O-N 3.23Å; G714-G716 VanDerWaalsContact O-N 3.11Å |
| 715 | S | 63.6 | Low | 77.1 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 15% | 0.154 | 37% | 0.365 | C | S | . | . | trans | -71.6 | 4.9 | 177.2 | 60.7 | 0 | 0 | 0 | 0 | 115.3 | P712 A717 K718 | P712-S715 VanDerWaalsContact O-CB 3.31Å; P712-S715 WeakPolarHBondContact O-CB 3.16Å; P712-S715 PolarHBondContact O-N 2.88Å; P712-S715 PolarHBondContact O-OG 2.99Å; S715-A717 PolarHBondContact O-N 3.27Å; S715-K718 PolarHBondContact O-N 2.76Å | ||
| 716 | G | 56.8 | Low | 77.4 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 89% | 0.887 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -8.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | G714 | G714-G716 PolarHBondContact O-N 3.23Å; G714-G716 VanDerWaalsContact O-N 3.11Å |
| 717 | A | 53.9 | Low | 77.7 | Confident | 105 Ų | 105 | 58.8 Ų | 58.8 | 87% | 0.868 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -6.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S715 | S715-A717 PolarHBondContact O-N 3.27Š|
| 718 | K | 55.3 | Low | 78.2 | Confident | 116 Ų | 116 | 58.4 Ų | 58.4 | 50% | 0.504 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -102.4 | 158.9 | -179.8 | -62.9 | -179.6 | -179.8 | 175.8 | 0 | 109.2 | S715 D778 D783 | S715-K718 PolarHBondContact O-N 2.76Å; K718-D778 IonicContact NZ-OD2 3.04Å; K718-D778 PolarHBondContact NZ-OD2 3.4Å; K718-D783 IonicContact NZ-OD2 2.72Å |
| 719 | G | 57.3 | Low | 78.7 | Confident | 65 Ų | 65 | 57.4 Ų | 57.4 | 67% | 0.67 | 36% | 0.36 | S | S | * | . | trans | -53.9 | 178.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | V721 | G719-V721 VanDerWaalsContact C-N 3.27Å; G719-V721 PolarHBondContact O-N 3.05Å | ||
| 720 | E | 60.6 | Low | 79.2 | Confident | 173 Ų | 173 | 56.8 Ų | 56.8 | 81% | 0.808 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -73.8 | -13.8 | -176.6 | -74.7 | -156.6 | 147 | 0 | 0 | 115.6 | K711 | K711-E720 VanDerWaalsContact CE-O 3.29Å; K711-E720 WeakPolarHBondContact CE-O 3.1Å |
| 721 | V | 75.1 | Confident | 79.6 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 38% | 0.376 | 35% | 0.35 | S | S | . | . | trans | -109 | 135.2 | -164.5 | -169.7 | 0 | 0 | 0 | 0 | 110.4 | G719 Q747 | G719-V721 VanDerWaalsContact C-N 3.27Å; G719-V721 PolarHBondContact O-N 3.05Å; V721-Q747 HydrophobicContact CG1-CB 4.34Å; V721-Q747 HydrophobicContact CG1-CG 3.99Å | ||
| 722 | I | 83.6 | Confident | 80.1 | Confident | 34 Ų | 34 | 51.5 Ų | 51.5 | 17% | 0.174 | 33% | 0.33 | C | S | . | . | trans | -101.8 | 148.4 | 168.5 | 57.3 | 168.4 | 0 | 0 | 0 | 108.6 | L709 K711 P724 D776 I785 | L709-I722 HydrophobicContact CB-CD1 3.64Å; L709-I722 HydrophobicContact CD1-CD1 4.18Å; K711-I722 HydrophobicContact CG-CG2 4.42Å; I722-P724 VanDerWaalsContact C-CD 3.47Å; I722-P724 HydrophobicContact CD1-CG 4.35Å; I722-P724 VanDerWaalsContact O-CD 3.32Å; I722-P724 WeakPolarHBondContact O-CD 3.46Å; I722-D776 WeakPolarHBondContact CA-OD1 3.35Å; I722-I785 HydrophobicContact CD1-CD1 4.17Å | ||
| 723 | D | 88.4 | Confident | 80.6 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 24% | 0.235 | 33% | 0.331 | C | S | . | . | trans | -116.3 | 75.6 | 174.6 | -70.1 | -53.2 | 0 | 0 | 0 | 108.5 | T744 Q747 D776 D777 | D723-T744 HydrophobicContact CB-CG2 3.77Å; D723-T744 VanDerWaalsContact O-CG2 3.29Å; D723-T744 WeakPolarHBondContact O-CG2 3.45Å; D723-Q747 PolarHBondContact OD1-N 3.03Å; D723-D776 PolarHBondContact N-OD1 2.95Å; D723-D777 WeakPolarHBondContact O-CB 3.41Å; D723-D777 PolarHBondContact O-N 2.82Å | ||
| 724 | P | 92.1 | Very high | 81.6 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 150.6 | -168.4 | 31.2 | -35.2 | 0 | 0 | 0 | 112.6 | L709 I722 A745 P752 F754 V774 L775 I785 | L709-P724 HydrophobicContact CD1-CB 3.6Å; L709-P724 HydrophobicContact CD1-CG 3.84Å; I722-P724 VanDerWaalsContact C-CD 3.47Å; I722-P724 HydrophobicContact CD1-CG 4.35Å; I722-P724 VanDerWaalsContact O-CD 3.32Å; I722-P724 WeakPolarHBondContact O-CD 3.46Å; P724-A745 HydrophobicContact CG-CB 4.37Å; P724-A745 PolarHBondContact O-N 3.26Å; P724-P752 HydrophobicContact CG-CB 3.66Å; P724-P752 HydrophobicContact CG-CG 3.76Å; P724-F754 WeakPolarHBondContact O-CE1 3.43Å; P724-V774 HydrophobicContact CB-CG1 4.36Å; P724-L775 CarbonylContact C-O 3.49Å; P724-L775 VanDerWaalsContact CA-O 3.24Å; P724-L775 WeakPolarHBondContact CA-O 3.38Å; P724-I785 HydrophobicContact CB-CD1 4.12Å |
| 725 | Y | 94.4 | Very high | 82.7 | Confident | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 160.2 | 165.9 | 73.9 | -87.2 | 0 | 0 | 0 | 111.3 | V727 R741 V774 L775 D777 D782 | Y725-V727 HydrophobicContact CD2-CG2 3.97Å; Y725-V727 HydrophobicContact CE2-CG2 3.42Å; Y725-V727 VanDerWaalsContact CE2-CG2 3.42Å; Y725-R741 HydrophobicContact CD2-CB 4.26Å; Y725-R741 HydrophobicContact CE2-CB 4.43Å; Y725-V774 WeakPolarHBondContact O-CA 3.4Å; Y725-L775 HydrophobicContact CD1-CB 4.15Å; Y725-L775 HydrophobicContact CE1-CB 3.6Å; Y725-L775 HydrophobicContact CE1-CD1 4.43Å; Y725-L775 HydrophobicContact CE2-CB 4.28Å; Y725-L775 HydrophobicContact CE2-CD1 4.06Å; Y725-L775 PolarHBondContact N-O 3.16Å; Y725-L775 PolarHBondContact O-N 2.81Å; Y725-L775 WeakPolarHBondContact OH-CD1 3.49Å; Y725-D777 HydrophobicContact CD1-CB 3.86Å; Y725-D777 HydrophobicContact CE1-CB 4.11Å; Y725-D782 HydrophobicContact CE1-CB 4.22Å; Y725-D782 VanDerWaalsContact OH-CG 3.32Å; Y725-D782 PolarHBondContact OH-OD2 2.86Å |
| 726 | V | 97.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.6 | -177.5 | -173.1 | 0 | 0 | 0 | 0 | 110.4 | V703 L728 R741 T742 F754 V773 V774 L817 | V703-V726 HydrophobicContact CG1-CB 4.23Å; V703-V726 HydrophobicContact CG1-CG1 4.44Å; V703-V726 HydrophobicContact CG1-CG2 4.01Å; V726-L728 HydrophobicContact CG1-CD2 4.3Å; V726-R741 CarbonylContact O-C 3.49Å; V726-R741 VanDerWaalsContact O-CA 3.26Å; V726-R741 WeakPolarHBondContact O-CA 3.49Å; V726-T742 HydrophobicContact CB-CG2 4Å; V726-T742 PolarHBondContact N-OG1 3.49Å; V726-T742 PolarHBondContact O-N 2.79Å; V726-F754 HydrophobicContact CG2-CD2 4.25Å; V726-F754 HydrophobicContact CG2-CE1 4.12Å; V726-F754 HydrophobicContact CG2-CE2 3.78Å; V726-F754 HydrophobicContact CG2-CZ 3.71Å; V726-V773 CarbonylContact C-O 3.56Å; V726-V773 WeakPolarHBondContact CA-O 3.44Å; V726-V774 HydrophobicContact CG2-CG2 4.26Å; V726-L817 HydrophobicContact CG1-CD1 3.89Å; V726-L817 HydrophobicContact CG2-CD1 4.37Å; V726-L817 HydrophobicContact CG2-CD2 3.94Å |
| 727 | V | 98.3 | Very high | 85.9 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.9 | 169.8 | -171.3 | 0 | 0 | 0 | 0 | 109.3 | Y725 E729 E739 R741 F772 V773 L775 | Y725-V727 HydrophobicContact CD2-CG2 3.97Å; Y725-V727 HydrophobicContact CE2-CG2 3.42Å; Y725-V727 VanDerWaalsContact CE2-CG2 3.42Å; V727-E729 HydrophobicContact CG1-CG 3.97Å; V727-E739 HydrophobicContact CG1-CG 3.76Å; V727-R741 HydrophobicContact CG2-CB 4.12Å; V727-F772 WeakPolarHBondContact O-CA 3.29Å; V727-V773 HydrophobicContact CB-CB 4.24Å; V727-V773 PolarHBondContact N-O 3.44Å; V727-V773 PolarHBondContact O-N 3.43Å; V727-L775 HydrophobicContact CG2-CD1 4.13Å |
| 728 | L | 98.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 115.3 | 170.7 | -60.4 | -178.2 | 0 | 0 | 0 | 109 | I701 V703 V726 E739 Q740 F758 F760 F772 | I701-L728 HydrophobicContact CB-CD1 4.12Å; I701-L728 HydrophobicContact CD1-CD1 4.29Å; I701-L728 HydrophobicContact CG2-CD1 4.03Å; V703-L728 HydrophobicContact CG2-CD1 3.98Å; V703-L728 HydrophobicContact CG2-CD2 4.26Å; V703-L728 HydrophobicContact CG2-CG 4.37Å; V726-L728 HydrophobicContact CG1-CD2 4.3Å; L728-E739 WeakPolarHBondContact O-CA 3.34Å; L728-Q740 PolarHBondContact N-O 2.88Å; L728-Q740 PolarHBondContact O-N 2.92Å; L728-F758 HydrophobicContact CD1-CB 4Å; L728-F758 HydrophobicContact CD1-CD2 3.31Å; L728-F758 HydrophobicContact CD1-CE2 3.95Å; L728-F758 HydrophobicContact CD1-CG 3.77Å; L728-F758 HydrophobicContact CG-CD2 4.4Å; L728-F760 HydrophobicContact CB-CE2 4.47Å; L728-F760 HydrophobicContact CB-CZ 3.87Å; L728-F760 HydrophobicContact CD1-CE2 4.1Å; L728-F760 HydrophobicContact CD1-CZ 4.18Å; L728-F772 HydrophobicContact CD2-CD1 3.2Å; L728-F772 HydrophobicContact CD2-CE1 3.36Å; L728-F772 HydrophobicContact CD2-CG 4.02Å; L728-F772 HydrophobicContact CD2-CZ 4.29Å |
| 729 | E | 98.3 | Very high | 89.9 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 13% | 0.126 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 120.4 | 176 | -54.7 | 169.6 | -172.2 | 0 | 0 | 109.5 | V727 H731 E739 R771 | V727-E729 HydrophobicContact CG1-CG 3.97Å; E729-H731 WeakPolarHBondContact CB-NE2 3.2Å; E729-H731 IonicContact OE2-CD2 2.71Å; E729-H731 IonicContact OE2-CE1 3.31Å; E729-H731 IonicContact OE2-NE2 2.83Å; E729-H731 PolarHBondContact OE2-NE2 3.42Å; E729-E739 HydrophobicContact CG-CG 4.19Å; E729-R771 HydrophobicContact CB-CB 4.25Å; E729-R771 PolarHBondContact N-O 3.24Å; E729-R771 PolarHBondContact O-N 3.43Å; E729-R771 IonicContact OE1-CZ 3.69Å; E729-R771 IonicContact OE1-NH1 3.4Å; E729-R771 PolarHBondContact OE1-NH1 2.96Å; E729-R771 WeakPolarHBondContact OE2-CD 3.48Å; E729-R771 IonicContact OE2-CZ 2.72Å; E729-R771 IonicContact OE2-NH1 3.5Å; E729-R771 PolarHBondContact OE2-NH1 3.23Å |
| 730 | L | 98.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.3 | 169.8 | -172.7 | 63.8 | 0 | 0 | 0 | 108.8 | D736 C737 A738 F760 V762 A768 | L730-D736 HydrophobicContact CD2-CB 4.49Å; L730-D736 WeakPolarHBondContact CD2-O 3.47Å; L730-D736 WeakPolarHBondContact CG-O 3.33Å; L730-C737 VanDerWaalsContact O-CA 3.26Å; L730-C737 WeakPolarHBondContact O-CA 3.47Å; L730-A738 HydrophobicContact CB-CB 4.44Å; L730-A738 PolarHBondContact N-O 2.92Å; L730-A738 PolarHBondContact O-N 3.04Å; L730-A738 VanDerWaalsContact O-N 3.13Å; L730-F760 HydrophobicContact CB-CD1 4.15Å; L730-F760 HydrophobicContact CB-CE1 4.46Å; L730-F760 HydrophobicContact CD2-CB 3.73Å; L730-F760 HydrophobicContact CD2-CD1 4.18Å; L730-F760 HydrophobicContact CD2-CG 4.18Å; L730-V762 HydrophobicContact CD2-CG2 3.78Å; L730-A768 HydrophobicContact CD1-CB 4.19Å |
| 731 | H | 97.4 | Very high | 93.5 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.9 | 179.5 | -67.9 | -97.9 | 0 | 0 | 0 | 109.6 | Q633 L656 E729 A768 L769 | Q633-H731 HydrophobicContact CG-CB 4.41Å; L656-H731 HydrophobicContact CD2-CB 4.26Å; E729-H731 WeakPolarHBondContact CB-NE2 3.2Å; E729-H731 IonicContact OE2-CD2 2.71Å; E729-H731 IonicContact OE2-CE1 3.31Å; E729-H731 IonicContact OE2-NE2 2.83Å; E729-H731 PolarHBondContact OE2-NE2 3.42Å; H731-A768 CarbonylContact O-C 3.54Å; H731-A768 VanDerWaalsContact O-CA 3.26Å; H731-A768 WeakPolarHBondContact O-CA 3.46Å; H731-L769 HydrophobicContact CB-CB 4.26Å; H731-L769 PolarHBondContact N-O 2.94Å; H731-L769 PolarHBondContact O-N 2.98Å |
| 732 | G | 94.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -165.7 | -142.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q633 | Q633-G732 VanDerWaalsContact NE2-C 3.28Å; Q633-G732 VanDerWaalsContact NE2-CA 3.32Å; Q633-G732 PolarHBondContact NE2-O 2.93Å |
| 733 | V | 91.7 | Very high | 94.8 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -68.4 | 156.8 | 157.4 | -65.9 | 0 | 0 | 0 | 0 | 108.7 | F683 A735 D736 C737 M764 L767 | F683-V733 HydrophobicContact CZ-CG1 4Å; V733-A735 HydrophobicContact CG2-CB 4.37Å; V733-A735 PolarHBondContact O-N 2.61Å; V733-D736 HydrophobicContact CG2-CB 4.1Å; V733-D736 VanDerWaalsContact CG2-CG 3.49Å; V733-D736 WeakPolarHBondContact CG2-OD2 3.24Å; V733-D736 PolarHBondContact O-N 3.4Å; V733-C737 PolarHBondContact O-N 2.82Å; V733-C737 PolarHBondContact O-SG 2.71Å; V733-M764 HydrophobicContact CG1-CB 4.07Å; V733-M764 HydrophobicContact CG1-CG 4.45Å; V733-M764 HydrophobicContact CG2-CB 4.02Å; V733-L767 HydrophobicContact CG1-CD1 3.97Å |
| 734 | P | 91.3 | Very high | 94.9 | Very high | 63 Ų | 63 | 43.6 Ų | 43.6 | 41% | 0.409 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -32.4 | -179.6 | -28.5 | 36.4 | 0 | 0 | 0 | 114.8 | A685 D736 C737 | A685-P734 VanDerWaalsContact O-CD 3.22Å; A685-P734 WeakPolarHBondContact O-CD 3.36Å; P734-D736 VanDerWaalsContact C-N 3.26Å; P734-D736 PolarHBondContact O-N 3.24Å; P734-C737 PolarHBondContact O-N 3.22Å |
| 735 | A | 90.1 | Very high | 94.6 | Very high | 57 Ų | 57 | 44 Ų | 44 | 47% | 0.471 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -17.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V733 N763 | V733-A735 HydrophobicContact CG2-CB 4.37Å; V733-A735 PolarHBondContact O-N 2.61Å; A735-N763 PolarHBondContact O-ND2 3.5Å |
| 736 | D | 92.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -16.9 | 179.2 | -63.8 | -4.3 | 0 | 0 | 0 | 111.6 | L730 V733 P734 A738 N763 M764 | L730-D736 HydrophobicContact CD2-CB 4.49Å; L730-D736 WeakPolarHBondContact CD2-O 3.47Å; L730-D736 WeakPolarHBondContact CG-O 3.33Å; V733-D736 HydrophobicContact CG2-CB 4.1Å; V733-D736 VanDerWaalsContact CG2-CG 3.49Å; V733-D736 WeakPolarHBondContact CG2-OD2 3.24Å; V733-D736 PolarHBondContact O-N 3.4Å; P734-D736 VanDerWaalsContact C-N 3.26Å; P734-D736 PolarHBondContact O-N 3.24Å; D736-A738 PolarHBondContact O-N 2.67Å; D736-N763 VanDerWaalsContact CG-N 3.32Å; D736-N763 WeakPolarHBondContact OD1-CA 3.1Å; D736-N763 WeakPolarHBondContact OD1-CB 3.31Å; D736-N763 PolarHBondContact OD1-N 2.89Å; D736-N763 PolarHBondContact OD1-ND2 3.43Å; D736-N763 PolarHBondContact OD2-N 3.32Å; D736-M764 PolarHBondContact OD2-N 3.17Å |
| 737 | C | 94.9 | Very high | 91.5 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 48% | 0.48 | 29% | 0.291 | S | S | . | . | trans | -66 | 124.3 | -174.9 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | L730 V733 P734 | L730-C737 VanDerWaalsContact O-CA 3.26Å; L730-C737 WeakPolarHBondContact O-CA 3.47Å; V733-C737 PolarHBondContact O-N 2.82Å; V733-C737 PolarHBondContact O-SG 2.71Å; P734-C737 PolarHBondContact O-N 3.22Å | ||
| 738 | A | 96.5 | Very high | 89.3 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 150.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L730 D736 F760 | L730-A738 HydrophobicContact CB-CB 4.44Å; L730-A738 PolarHBondContact N-O 2.92Å; L730-A738 PolarHBondContact O-N 3.04Å; L730-A738 VanDerWaalsContact O-N 3.13Å; D736-A738 PolarHBondContact O-N 2.67Å; A738-F760 HydrophobicContact CB-CD1 3.79Å; A738-F760 HydrophobicContact CB-CE1 4Å |
| 739 | E | 97.4 | Very high | 87.3 | Confident | 145 Ų | 145 | 65.4 Ų | 65.4 | 68% | 0.678 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 128.7 | 175.4 | -175.5 | 179.5 | 117.1 | 0 | 0 | 108.3 | V727 L728 E729 | V727-E739 HydrophobicContact CG1-CG 3.76Å; L728-E739 WeakPolarHBondContact O-CA 3.34Å; E729-E739 HydrophobicContact CG-CG 4.19Å |
| 740 | Q | 97.6 | Very high | 85.7 | Confident | 69 Ų | 69 | 67 Ų | 67 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 148.9 | 177.2 | -62 | -176.6 | 50.9 | 0 | 0 | 108.4 | L728 F758 E759 F760 | L728-Q740 PolarHBondContact N-O 2.88Å; L728-Q740 PolarHBondContact O-N 2.92Å; Q740-F758 HydrophobicContact CB-CD1 3.63Å; Q740-F758 HydrophobicContact CB-CE1 4Å; Q740-F758 HydrophobicContact CB-CG 4.41Å; Q740-F758 HydrophobicContact CG-CD1 4.41Å; Q740-F758 VanDerWaalsContact OE1-CD1 3.32Å; Q740-E759 PolarHBondContact NE2-O 2.88Å; Q740-F760 HydrophobicContact CB-CZ 4.34Å; Q740-F760 HydrophobicContact CG-CE1 4.1Å; Q740-F760 HydrophobicContact CG-CZ 4.34Å |
| 741 | R | 95.9 | Very high | 84.6 | Confident | 145 Ų | 145 | 68.3 Ų | 68.3 | 55% | 0.547 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.5 | 178.7 | 72.7 | 174.3 | -171.5 | 170.1 | 5.8 | 111.9 | Y725 V726 V727 F758 | Y725-R741 HydrophobicContact CD2-CB 4.26Å; Y725-R741 HydrophobicContact CE2-CB 4.43Å; V726-R741 CarbonylContact O-C 3.49Å; V726-R741 VanDerWaalsContact O-CA 3.26Å; V726-R741 WeakPolarHBondContact O-CA 3.49Å; V727-R741 HydrophobicContact CG2-CB 4.12Å; R741-F758 WeakPolarHBondContact O-CE1 3.24Å |
| 742 | T | 94.9 | Very high | 84.1 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 164.9 | 168.7 | 66.9 | 0 | 0 | 0 | 0 | 110.7 | V703 V726 F754 E756 F758 | V703-T742 HydrophobicContact CB-CG2 4.05Å; V703-T742 HydrophobicContact CG1-CG2 4.11Å; V703-T742 HydrophobicContact CG2-CG2 4.37Å; V726-T742 HydrophobicContact CB-CG2 4Å; V726-T742 PolarHBondContact N-OG1 3.49Å; V726-T742 PolarHBondContact O-N 2.79Å; T742-F754 HydrophobicContact CG2-CB 4.1Å; T742-F754 HydrophobicContact CG2-CD1 4.21Å; T742-F754 HydrophobicContact CG2-CG 4.25Å; T742-F754 WeakPolarHBondContact OG1-CD1 3.37Å; T742-E756 WeakPolarHBondContact CA-OE2 3.39Å; T742-E756 HydrophobicContact CG2-CB 4.39Å; T742-F758 HydrophobicContact CG2-CE2 3.76Å; T742-F758 HydrophobicContact CG2-CZ 3.69Å |
| 743 | R | 90.3 | Very high | 83.6 | Confident | 179 Ų | 179 | 69 Ų | 69 | 68% | 0.675 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 156.2 | 157.8 | -64.8 | 173 | -71.5 | 174.8 | -1 | 110.1 | A745 E756 | R743-A745 PolarHBondContact O-N 3.06Å; R743-E756 WeakPolarHBondContact CB-OE1 3.27Å; R743-E756 VanDerWaalsContact CG-OE1 3.3Å; R743-E756 WeakPolarHBondContact CG-OE1 3.41Å; R743-E756 IonicContact CZ-OE1 3.7Å; R743-E756 PolarHBondContact N-OE1 3.02Å; R743-E756 PolarHBondContact N-OE2 3.37Å; R743-E756 IonicContact NE-OE1 3.97Å; R743-E756 PolarHBondContact NE-OE1 3.12Å; R743-E756 IonicContact NH2-OE1 3.58Å |
| 744 | T | 90.6 | Very high | 83.5 | Confident | 45 Ų | 45 | 69.2 Ų | 69.2 | 28% | 0.276 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 126.4 | 172.1 | -48.7 | 0 | 0 | 0 | 0 | 109.7 | D723 A746 D777 | D723-T744 HydrophobicContact CB-CG2 3.77Å; D723-T744 VanDerWaalsContact O-CG2 3.29Å; D723-T744 WeakPolarHBondContact O-CG2 3.45Å; T744-A746 PolarHBondContact O-N 3.07Å; T744-D777 WeakPolarHBondContact CB-OD2 3.44Å; T744-D777 HydrophobicContact CG2-CB 3.52Å; T744-D777 PolarHBondContact OG1-OD2 3.12Å |
| 745 | A | 86.1 | Confident | 83.2 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | trans | -76.1 | 108.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P724 R743 P752 F754 | P724-A745 HydrophobicContact CG-CB 4.37Å; P724-A745 PolarHBondContact O-N 3.26Å; R743-A745 PolarHBondContact O-N 3.06Å; A745-P752 HydrophobicContact CB-CB 3.67Å; A745-F754 HydrophobicContact CB-CD1 4.19Å; A745-F754 HydrophobicContact CB-CE1 3.79Å; A745-F754 HydrophobicContact CB-CZ 4.4Å | ||
| 746 | A | 69.1 | Low | 83.1 | Confident | 91 Ų | 91 | 66.5 Ų | 66.5 | 75% | 0.752 | 34% | 0.34 | S | S | * | . | trans | -71.6 | 132.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T744 | T744-A746 PolarHBondContact O-N 3.07Š| ||
| 747 | Q | 57 | Low | 83.1 | Confident | 131 Ų | 131 | 69.8 Ų | 69.8 | 61% | 0.612 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 22.1 | 131.3 | 164 | -70.8 | -173.3 | -15 | 0 | 0 | 120.9 | V721 D723 | V721-Q747 HydrophobicContact CG1-CB 4.34Å; V721-Q747 HydrophobicContact CG1-CG 3.99Å; D723-Q747 PolarHBondContact OD1-N 3.03Å |
| 748 | N | 53.8 | Low | 83.1 | Confident | 126 Ų | 126 | 67 Ų | 67 | 67% | 0.674 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 85.1 | 30.6 | 160.6 | -66.6 | -15.1 | 0 | 0 | 0 | 120 | ||
| 749 | Q | 56.1 | Low | 83 | Confident | 119 Ų | 119 | 69.1 Ų | 69.1 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | trans | -132.7 | 121 | 167.5 | -59.1 | -171.7 | 19.2 | 0 | 0 | 110.5 | E751 | Q749-E751 WeakPolarHBondContact CB-O 3.48Å; Q749-E751 PolarHBondContact O-N 3.07Å; Q749-E751 PolarHBondContact OE1-O 3.17Å | ||
| 750 | D | 63.5 | Low | 82.9 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -54 | -11.3 | 162.9 | -67.4 | -72.6 | 0 | 0 | 0 | 111.8 | K197 K200 N708 | K197-D750 IonicContact NZ-OD1 3.24Å; K197-D750 PolarHBondContact NZ-OD1 2.65Å; K200-D750 VanDerWaalsContact CD-OD2 3.31Å; K200-D750 WeakPolarHBondContact CD-OD2 3.28Å; K200-D750 VanDerWaalsContact CE-OD2 3.31Å; K200-D750 WeakPolarHBondContact CE-OD2 3.39Å; K200-D750 IonicContact NZ-OD2 3.47Å; K200-D750 PolarHBondContact NZ-OD2 3.22Å; N708-D750 PolarHBondContact N-O 2.85Å |
| 751 | E | 76.4 | Confident | 82.6 | Confident | 32 Ų | 32 | 62.7 Ų | 62.7 | 15% | 0.15 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -126.9 | 80 | 176.8 | -57.9 | -177.6 | 146.1 | 0 | 0 | 110.2 | K6 R234 A706 H707 Q749 | K6-E751 IonicContact NZ-OE2 2.67Å; K6-E751 PolarHBondContact NZ-OE2 3.16Å; R234-E751 WeakPolarHBondContact CG-OE1 3.31Å; A706-E751 VanDerWaalsContact O-CA 3.29Å; A706-E751 WeakPolarHBondContact O-CA 3.38Å; H707-E751 IonicContact CD2-OE1 3.87Å; Q749-E751 WeakPolarHBondContact CB-O 3.48Å; Q749-E751 PolarHBondContact O-N 3.07Å; Q749-E751 PolarHBondContact OE1-O 3.17Å |
| 752 | P | 85.8 | Confident | 82.5 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | trans | -65.4 | 138.6 | -179.3 | 28.7 | -36.9 | 0 | 0 | 0 | 111.2 | S705 A706 L709 P724 A745 F754 | S705-P752 CarbonylContact C-O 3.55Å; S705-P752 WeakPolarHBondContact CA-O 3.36Å; S705-P752 VanDerWaalsContact CB-O 3.32Å; S705-P752 WeakPolarHBondContact CB-O 3.37Å; A706-P752 HydrophobicContact CB-CG 3.68Å; A706-P752 PolarHBondContact N-O 3.41Å; A706-P752 WeakPolarHBondContact O-CD 3.38Å; L709-P752 HydrophobicContact CD1-CG 3.78Å; L709-P752 HydrophobicContact CG-CG 4.44Å; P724-P752 HydrophobicContact CG-CB 3.66Å; P724-P752 HydrophobicContact CG-CG 3.76Å; A745-P752 HydrophobicContact CB-CB 3.67Å; P752-F754 HydrophobicContact CB-CE2 4.37Å; P752-F754 HydrophobicContact CB-CZ 4.08Å; P752-F754 HydrophobicContact CG-CE2 4.23Å; P752-F754 HydrophobicContact CG-CZ 4.11Å | ||
| 753 | M | 84.3 | Confident | 82.2 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 22% | 0.217 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.6 | 178.3 | -70.1 | -64.1 | -56.1 | 0 | 0 | 110.2 | D236 I704 S705 | D236-M753 HydrophobicContact CB-CE 3.91Å; D236-M753 HydrophobicContact CB-SD 4.12Å; I704-M753 HydrophobicContact CG2-CE 4.2Å; S705-M753 WeakPolarHBondContact CB-SD 3.44Å |
| 754 | F | 88.5 | Confident | 82.2 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -50.8 | 178.8 | -54.9 | -76.1 | 0 | 0 | 0 | 111.2 | V703 I704 A706 P724 V726 T742 A745 P752 E756 | V703-F754 HydrophobicContact CG1-CB 4.14Å; V703-F754 HydrophobicContact CG1-CD2 3.78Å; V703-F754 HydrophobicContact CG1-CG 4.11Å; I704-F754 PolarHBondContact O-N 3.21Å; A706-F754 HydrophobicContact CB-CE2 4.09Å; P724-F754 WeakPolarHBondContact O-CE1 3.43Å; V726-F754 HydrophobicContact CG2-CD2 4.25Å; V726-F754 HydrophobicContact CG2-CE1 4.12Å; V726-F754 HydrophobicContact CG2-CE2 3.78Å; V726-F754 HydrophobicContact CG2-CZ 3.71Å; T742-F754 HydrophobicContact CG2-CB 4.1Å; T742-F754 HydrophobicContact CG2-CD1 4.21Å; T742-F754 HydrophobicContact CG2-CG 4.25Å; T742-F754 WeakPolarHBondContact OG1-CD1 3.37Å; A745-F754 HydrophobicContact CB-CD1 4.19Å; A745-F754 HydrophobicContact CB-CE1 3.79Å; A745-F754 HydrophobicContact CB-CZ 4.4Å; P752-F754 HydrophobicContact CB-CE2 4.37Å; P752-F754 HydrophobicContact CB-CZ 4.08Å; P752-F754 HydrophobicContact CG-CE2 4.23Å; P752-F754 HydrophobicContact CG-CZ 4.11Å; F754-E756 VanDerWaalsContact C-N 3.33Å; F754-E756 PolarHBondContact O-N 2.9Å |
| 755 | D | 85.7 | Confident | 82.3 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.3 | 44.4 | -177.5 | -151.1 | 53.6 | 0 | 0 | 0 | 115 | A111 K702 V703 I704 | A111-D755 WeakPolarHBondContact CB-OD2 3.26Å; K702-D755 WeakPolarHBondContact CE-OD1 3.17Å; K702-D755 IonicContact NZ-OD1 2.81Å; K702-D755 PolarHBondContact NZ-OD1 3.43Å; K702-D755 IonicContact NZ-OD2 3Å; K702-D755 PolarHBondContact NZ-OD2 2.8Å; K702-D755 VanDerWaalsContact NZ-OD2 3.08Å; V703-D755 WeakPolarHBondContact O-CA 3.27Å; V703-D755 PolarHBondContact O-N 2.9Å; I704-D755 PolarHBondContact O-N 3.31Å; I704-D755 VanDerWaalsContact O-N 3.1Å |
| 756 | E | 87.8 | Confident | 82.5 | Confident | 32 Ų | 32 | 47 Ų | 47 | 15% | 0.15 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.9 | -177 | -76.2 | -178.6 | -138.8 | 0 | 0 | 112.6 | K702 V703 T742 R743 F754 F758 | K702-E756 CarbonylContact C-O 3.5Å; K702-E756 VanDerWaalsContact CA-O 3.27Å; K702-E756 WeakPolarHBondContact CA-O 3.25Å; V703-E756 PolarHBondContact N-O 3.47Å; V703-E756 PolarHBondContact O-N 3.06Å; T742-E756 WeakPolarHBondContact CA-OE2 3.39Å; T742-E756 HydrophobicContact CG2-CB 4.39Å; R743-E756 WeakPolarHBondContact CB-OE1 3.27Å; R743-E756 VanDerWaalsContact CG-OE1 3.3Å; R743-E756 WeakPolarHBondContact CG-OE1 3.41Å; R743-E756 IonicContact CZ-OE1 3.7Å; R743-E756 PolarHBondContact N-OE1 3.02Å; R743-E756 PolarHBondContact N-OE2 3.37Å; R743-E756 IonicContact NE-OE1 3.97Å; R743-E756 PolarHBondContact NE-OE1 3.12Å; R743-E756 IonicContact NH2-OE1 3.58Å; F754-E756 VanDerWaalsContact C-N 3.33Å; F754-E756 PolarHBondContact O-N 2.9Å; E756-F758 HydrophobicContact CB-CE2 3.96Å; E756-F758 HydrophobicContact CB-CZ 3.91Å |
| 757 | T | 92.3 | Very high | 83.7 | Confident | 73 Ų | 73 | 42.6 Ų | 42.6 | 45% | 0.448 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.2 | -178.6 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | I701 K702 | I701-T757 CarbonylContact O-C 3.55Å; I701-T757 WeakPolarHBondContact O-CA 3.39Å; K702-T757 WeakPolarHBondContact CG-OG1 3.47Å |
| 758 | F | 95.4 | Very high | 85.6 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 5% | 0.053 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.1 | 178.3 | -53.5 | -81.7 | 0 | 0 | 0 | 110.2 | R700 I701 V703 L728 Q740 R741 T742 E756 F760 | R700-F758 CarbonylContact C-O 3.51Å; R700-F758 VanDerWaalsContact CA-O 3.26Å; R700-F758 WeakPolarHBondContact CA-O 3.47Å; I701-F758 PolarHBondContact N-O 3.34Å; I701-F758 PolarHBondContact O-N 3.48Å; V703-F758 HydrophobicContact CB-CE2 4.38Å; V703-F758 HydrophobicContact CG2-CD2 4.18Å; V703-F758 HydrophobicContact CG2-CE2 3.9Å; L728-F758 HydrophobicContact CD1-CB 4Å; L728-F758 HydrophobicContact CD1-CD2 3.31Å; L728-F758 HydrophobicContact CD1-CE2 3.95Å; L728-F758 HydrophobicContact CD1-CG 3.77Å; L728-F758 HydrophobicContact CG-CD2 4.4Å; Q740-F758 HydrophobicContact CB-CD1 3.63Å; Q740-F758 HydrophobicContact CB-CE1 4Å; Q740-F758 HydrophobicContact CB-CG 4.41Å; Q740-F758 HydrophobicContact CG-CD1 4.41Å; Q740-F758 VanDerWaalsContact OE1-CD1 3.32Å; R741-F758 WeakPolarHBondContact O-CE1 3.24Å; T742-F758 HydrophobicContact CG2-CE2 3.76Å; T742-F758 HydrophobicContact CG2-CZ 3.69Å; E756-F758 HydrophobicContact CB-CE2 3.96Å; E756-F758 HydrophobicContact CB-CZ 3.91Å; F758-F760 HydrophobicContact CB-CE2 3.68Å; F758-F760 HydrophobicContact CB-CZ 3.99Å |
| 759 | E | 95.4 | Very high | 87.7 | Confident | 84 Ų | 84 | 30.4 Ų | 30.4 | 39% | 0.393 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.6 | 175.6 | -172.1 | 177.5 | 126.8 | 0 | 0 | 110.8 | T698 L699 R700 Q740 Q761 | T698-E759 HydrophobicContact CG2-CG 3.52Å; T698-E759 WeakPolarHBondContact CG2-OE1 3.5Å; L699-E759 CarbonylContact O-C 3.52Å; L699-E759 WeakPolarHBondContact O-CA 3.24Å; R700-E759 HydrophobicContact CG-CB 4.17Å; R700-E759 HydrophobicContact CG-CG 3.94Å; R700-E759 IonicContact CZ-OE2 3.04Å; R700-E759 IonicContact NE-OE2 3.82Å; R700-E759 PolarHBondContact NE-OE2 3.5Å; R700-E759 IonicContact NH2-OE2 3.94Å; R700-E759 PolarHBondContact NH2-OE2 3.14Å; Q740-E759 PolarHBondContact NE2-O 2.88Å; E759-Q761 PolarHBondContact OE1-NE2 3.48Å |
| 760 | F | 94.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 1% | 0.013 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 136.2 | 178.5 | -55.6 | -87.3 | 0 | 0 | 0 | 110.8 | T698 L699 I701 L728 L730 A738 Q740 F758 | T698-F760 WeakPolarHBondContact CA-O 3.42Å; L699-F760 HydrophobicContact CB-CB 4.4Å; L699-F760 HydrophobicContact CD2-CD2 4.47Å; L699-F760 HydrophobicContact CG-CD2 4.44Å; L699-F760 PolarHBondContact N-O 3.32Å; L699-F760 PolarHBondContact O-N 2.92Å; I701-F760 HydrophobicContact CD1-CE2 4.21Å; L728-F760 HydrophobicContact CB-CE2 4.47Å; L728-F760 HydrophobicContact CB-CZ 3.87Å; L728-F760 HydrophobicContact CD1-CE2 4.1Å; L728-F760 HydrophobicContact CD1-CZ 4.18Å; L730-F760 HydrophobicContact CB-CD1 4.15Å; L730-F760 HydrophobicContact CB-CE1 4.46Å; L730-F760 HydrophobicContact CD2-CB 3.73Å; L730-F760 HydrophobicContact CD2-CD1 4.18Å; L730-F760 HydrophobicContact CD2-CG 4.18Å; A738-F760 HydrophobicContact CB-CD1 3.79Å; A738-F760 HydrophobicContact CB-CE1 4Å; Q740-F760 HydrophobicContact CB-CZ 4.34Å; Q740-F760 HydrophobicContact CG-CE1 4.1Å; Q740-F760 HydrophobicContact CG-CZ 4.34Å; F758-F760 HydrophobicContact CB-CE2 3.68Å; F758-F760 HydrophobicContact CB-CZ 3.99Å |
| 761 | Q | 91.9 | Very high | 91.4 | Very high | 76 Ų | 76 | 22.8 Ų | 22.8 | 36% | 0.355 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.1 | 172.2 | -67.4 | -68.7 | -38.3 | 0 | 0 | 109.2 | T698 E759 | T698-Q761 PolarHBondContact OG1-NE2 3.24Å; T698-Q761 PolarHBondContact OG1-OE1 3.01Å; E759-Q761 PolarHBondContact OE1-NE2 3.48Å |
| 762 | V | 92.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 105.7 | -174.1 | -167.7 | 0 | 0 | 0 | 0 | 109.7 | P696 Q697 L699 L730 P765 A768 F792 | P696-V762 CarbonylContact C-O 3.52Å; P696-V762 WeakPolarHBondContact CA-O 3.48Å; Q697-V762 PolarHBondContact N-O 2.78Å; Q697-V762 PolarHBondContact O-N 2.91Å; L699-V762 HydrophobicContact CB-CG2 4.26Å; L730-V762 HydrophobicContact CD2-CG2 3.78Å; V762-P765 HydrophobicContact CG1-CB 4.43Å; V762-P765 HydrophobicContact CG1-CG 4.09Å; V762-A768 HydrophobicContact CG1-CB 3.74Å; V762-F792 HydrophobicContact CB-CD2 4.45Å; V762-F792 HydrophobicContact CB-CE2 3.98Å; V762-F792 HydrophobicContact CB-CZ 4.47Å; V762-F792 HydrophobicContact CG1-CD2 4.06Å; V762-F792 HydrophobicContact CG1-CE2 4.05Å; V762-F792 HydrophobicContact CG2-CD2 4.05Å; V762-F792 HydrophobicContact CG2-CE2 3.58Å; V762-F792 HydrophobicContact CG2-CZ 4.44Å |
| 763 | N | 89.9 | Confident | 93 | Very high | 14 Ų | 14 | 21.2 Ų | 21.2 | 8% | 0.075 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -85.1 | -30.5 | -178.4 | -54.9 | -80.2 | 0 | 0 | 0 | 112.1 | A735 D736 P765 R826 | A735-N763 PolarHBondContact O-ND2 3.5Å; D736-N763 VanDerWaalsContact CG-N 3.32Å; D736-N763 WeakPolarHBondContact OD1-CA 3.1Å; D736-N763 WeakPolarHBondContact OD1-CB 3.31Å; D736-N763 PolarHBondContact OD1-N 2.89Å; D736-N763 PolarHBondContact OD1-ND2 3.43Å; D736-N763 PolarHBondContact OD2-N 3.32Å; N763-P765 VanDerWaalsContact C-CD 3.49Å; N763-R826 PolarHBondContact OD1-NH2 3.38Å |
| 764 | M | 90.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -127 | 73.5 | 176.4 | -164.4 | 67.5 | -152 | 0 | 0 | 112.5 | P673 V675 F683 V691 V694 V733 D736 E766 L767 A768 | P673-M764 HydrophobicContact CB-CE 3.47Å; P673-M764 VanDerWaalsContact CB-CE 3.47Å; P673-M764 HydrophobicContact CG-CE 3.95Å; V675-M764 HydrophobicContact CG2-CE 3.73Å; V675-M764 HydrophobicContact CG2-SD 4.39Å; F683-M764 HydrophobicContact CE2-SD 4.24Å; V691-M764 HydrophobicContact CB-SD 4.41Å; V691-M764 HydrophobicContact CG1-SD 4.3Å; V691-M764 HydrophobicContact CG2-SD 4.28Å; V694-M764 HydrophobicContact CB-SD 4.24Å; V694-M764 HydrophobicContact CG1-CE 4.35Å; V694-M764 HydrophobicContact CG1-SD 3.9Å; V694-M764 HydrophobicContact CG2-CE 3.97Å; V694-M764 HydrophobicContact CG2-SD 3.88Å; V733-M764 HydrophobicContact CG1-CB 4.07Å; V733-M764 HydrophobicContact CG1-CG 4.45Å; V733-M764 HydrophobicContact CG2-CB 4.02Å; D736-M764 PolarHBondContact OD2-N 3.17Å; M764-E766 VanDerWaalsContact C-N 3.32Å; M764-E766 HydrophobicContact CE-CB 4.09Å; M764-E766 PolarHBondContact O-N 3.38Å; M764-L767 HydrophobicContact CB-CB 4.44Å; M764-L767 HydrophobicContact CG-CB 3.9Å; M764-L767 HydrophobicContact CG-CD1 3.76Å; M764-L767 HydrophobicContact CG-CG 3.83Å; M764-L767 PolarHBondContact O-N 3.1Å; M764-A768 PolarHBondContact O-N 3.14Å | ||
| 765 | P | 91.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.019 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -47.5 | -45.5 | -179.4 | -32.6 | 38.3 | 0 | 0 | 0 | 115.2 | Q697 V762 N763 L767 A768 F792 E793 | Q697-P765 HydrophobicContact CB-CG 4.36Å; Q697-P765 HydrophobicContact CG-CG 4.19Å; Q697-P765 VanDerWaalsContact NE2-CG 3.31Å; V762-P765 HydrophobicContact CG1-CB 4.43Å; V762-P765 HydrophobicContact CG1-CG 4.09Å; N763-P765 VanDerWaalsContact C-CD 3.49Å; P765-L767 PolarHBondContact O-N 3.27Å; P765-L767 VanDerWaalsContact O-N 3.1Å; P765-A768 PolarHBondContact O-N 2.81Å; P765-F792 HydrophobicContact CB-CD1 3.58Å; P765-F792 HydrophobicContact CB-CE1 3.71Å; P765-F792 HydrophobicContact CB-CG 4.34Å; P765-F792 HydrophobicContact CG-CE1 4.23Å; P765-F792 WeakPolarHBondContact O-CB 3.17Å; P765-E793 VanDerWaalsContact CB-OE1 3.22Å; P765-E793 WeakPolarHBondContact CB-OE1 3.34Å |
| 766 | E | 91.3 | Very high | 94.1 | Very high | 37 Ų | 37 | 19 Ų | 19 | 17% | 0.173 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -63.9 | -19.5 | -178.1 | -60.4 | 173.9 | -100.7 | 0 | 0 | 113.6 | R660 P673 M764 E793 | R660-E766 PolarHBondContact NH1-O 3.23Å; P673-E766 WeakPolarHBondContact CA-OE2 3.33Å; P673-E766 HydrophobicContact CB-CB 3.95Å; P673-E766 HydrophobicContact CG-CB 3.8Å; M764-E766 VanDerWaalsContact C-N 3.32Å; M764-E766 HydrophobicContact CE-CB 4.09Å; M764-E766 PolarHBondContact O-N 3.38Å; E766-E793 HydrophobicContact CG-CG 4.35Å |
| 767 | L | 93.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -100.4 | -12.2 | 174.4 | -71.7 | -178.9 | 0 | 0 | 0 | 113.7 | Y329 Q633 R660 P673 M676 F683 V733 M764 P765 | Y329-L767 HydrophobicContact CE2-CD2 4.26Å; Y329-L767 WeakPolarHBondContact OH-CD2 3.43Å; Q633-L767 PolarHBondContact NE2-O 3.04Å; R660-L767 PolarHBondContact NH2-O 3.49Å; P673-L767 HydrophobicContact CG-CD2 3.59Å; P673-L767 HydrophobicContact CG-CG 3.74Å; M676-L767 HydrophobicContact CE-CD1 3.55Å; M676-L767 HydrophobicContact CE-CD2 4.24Å; M676-L767 HydrophobicContact CE-CG 4.44Å; M676-L767 HydrophobicContact SD-CD2 4.3Å; F683-L767 HydrophobicContact CZ-CD1 4.04Å; V733-L767 HydrophobicContact CG1-CD1 3.97Å; M764-L767 HydrophobicContact CB-CB 4.44Å; M764-L767 HydrophobicContact CG-CB 3.9Å; M764-L767 HydrophobicContact CG-CD1 3.76Å; M764-L767 HydrophobicContact CG-CG 3.83Å; M764-L767 PolarHBondContact O-N 3.1Å; P765-L767 PolarHBondContact O-N 3.27Å; P765-L767 VanDerWaalsContact O-N 3.1Å |
| 768 | A | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -78.7 | 141.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L730 H731 V762 M764 P765 F792 | L730-A768 HydrophobicContact CD1-CB 4.19Å; H731-A768 CarbonylContact O-C 3.54Å; H731-A768 VanDerWaalsContact O-CA 3.26Å; H731-A768 WeakPolarHBondContact O-CA 3.46Å; V762-A768 HydrophobicContact CG1-CB 3.74Å; M764-A768 PolarHBondContact O-N 3.14Å; P765-A768 PolarHBondContact O-N 2.81Å; A768-F792 HydrophobicContact CB-CB 3.82Å; A768-F792 HydrophobicContact CB-CD2 4.5Å; A768-F792 HydrophobicContact CB-CG 4.39Å; A768-F792 PolarHBondContact O-N 3.02Å | ||
| 769 | L | 98.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.9 | 172.3 | -73.7 | 152.8 | 0 | 0 | 0 | 107.4 | W636 L656 R660 H731 V790 A791 | W636-L769 HydrophobicContact CE3-CD1 4.4Å; W636-L769 HydrophobicContact CZ3-CD1 3.82Å; L656-L769 HydrophobicContact CD2-CB 4.32Å; L656-L769 HydrophobicContact CD2-CD1 4.28Å; R660-L769 HydrophobicContact CB-CD2 4.22Å; H731-L769 HydrophobicContact CB-CB 4.26Å; H731-L769 PolarHBondContact N-O 2.94Å; H731-L769 PolarHBondContact O-N 2.98Å; L769-V790 WeakPolarHBondContact CA-O 3.44Å; L769-A791 HydrophobicContact CD2-CB 4.15Å |
| 770 | L | 98.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.1 | 171.5 | 176.7 | 73.4 | 0 | 0 | 0 | 108.5 | L699 I701 F772 S789 V790 L795 | L699-L770 HydrophobicContact CD2-CD2 4.47Å; I701-L770 HydrophobicContact CD1-CD1 3.71Å; I701-L770 HydrophobicContact CD1-CD2 3.27Å; I701-L770 HydrophobicContact CD1-CG 4.1Å; L770-F772 HydrophobicContact CD2-CD2 4.4Å; L770-F772 HydrophobicContact CD2-CE1 4.48Å; L770-F772 HydrophobicContact CD2-CE2 3.4Å; L770-F772 VanDerWaalsContact CD2-CE2 3.4Å; L770-F772 HydrophobicContact CD2-CZ 3.46Å; L770-F772 VanDerWaalsContact CD2-CZ 3.46Å; L770-F772 HydrophobicContact CG-CD2 4.42Å; L770-F772 HydrophobicContact CG-CE2 3.85Å; L770-F772 HydrophobicContact CG-CZ 4.21Å; L770-S789 WeakPolarHBondContact O-CA 3.39Å; L770-V790 HydrophobicContact CB-CG1 4.36Å; L770-V790 PolarHBondContact N-O 3.28Å; L770-V790 PolarHBondContact O-N 3.29Å; L770-L795 HydrophobicContact CD2-CD1 4.28Å; L770-L795 HydrophobicContact CD2-CD2 4.07Å |
| 771 | R | 98.4 | Very high | 90.2 | Very high | 19 Ų | 19 | 35.2 Ų | 35.2 | 7% | 0.072 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.2 | 177.8 | 176.6 | 170 | 177.6 | -108.1 | -6.8 | 110 | D655 L656 E729 V773 Y788 S789 | D655-R771 WeakPolarHBondContact OD2-CD 3.27Å; D655-R771 IonicContact OD2-NE 2.75Å; D655-R771 PolarHBondContact OD2-NE 2.88Å; L656-R771 HydrophobicContact CD2-CB 4.43Å; E729-R771 HydrophobicContact CB-CB 4.25Å; E729-R771 PolarHBondContact N-O 3.24Å; E729-R771 PolarHBondContact O-N 3.43Å; E729-R771 IonicContact OE1-CZ 3.69Å; E729-R771 IonicContact OE1-NH1 3.4Å; E729-R771 PolarHBondContact OE1-NH1 2.96Å; E729-R771 WeakPolarHBondContact OE2-CD 3.48Å; E729-R771 IonicContact OE2-CZ 2.72Å; E729-R771 IonicContact OE2-NH1 3.5Å; E729-R771 PolarHBondContact OE2-NH1 3.23Å; R771-V773 HydrophobicContact CG-CG2 3.97Å; R771-V773 VanDerWaalsContact CZ-CG2 3.42Å; R771-Y788 CarbonylContact C-O 3.58Å; R771-Y788 WeakPolarHBondContact CA-O 3.32Å; R771-S789 WeakPolarHBondContact CB-OG 3.41Å; R771-S789 WeakPolarHBondContact CD-OG 3.43Å; R771-S789 VanDerWaalsContact CG-OG 3.28Å; R771-S789 WeakPolarHBondContact CG-OG 3.49Å |
| 772 | F | 98.6 | Very high | 90 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.3 | 171.1 | -60.3 | -100.2 | 0 | 0 | 0 | 107.9 | L309 I701 V727 L728 L770 Q787 Y788 V790 V802 L817 V819 | L309-F772 HydrophobicContact CD2-CD2 4.49Å; L309-F772 HydrophobicContact CD2-CE2 3.52Å; L309-F772 HydrophobicContact CD2-CZ 3.89Å; I701-F772 HydrophobicContact CD1-CZ 4.47Å; I701-F772 HydrophobicContact CG2-CE1 4.3Å; V727-F772 WeakPolarHBondContact O-CA 3.29Å; L728-F772 HydrophobicContact CD2-CD1 3.2Å; L728-F772 HydrophobicContact CD2-CE1 3.36Å; L728-F772 HydrophobicContact CD2-CG 4.02Å; L728-F772 HydrophobicContact CD2-CZ 4.29Å; L770-F772 HydrophobicContact CD2-CD2 4.4Å; L770-F772 HydrophobicContact CD2-CE1 4.48Å; L770-F772 HydrophobicContact CD2-CE2 3.4Å; L770-F772 VanDerWaalsContact CD2-CE2 3.4Å; L770-F772 HydrophobicContact CD2-CZ 3.46Å; L770-F772 VanDerWaalsContact CD2-CZ 3.46Å; L770-F772 HydrophobicContact CG-CD2 4.42Å; L770-F772 HydrophobicContact CG-CE2 3.85Å; L770-F772 HydrophobicContact CG-CZ 4.21Å; F772-Q787 CarbonylContact O-C 3.5Å; F772-Q787 WeakPolarHBondContact O-CA 3.46Å; F772-Q787 WeakPolarHBondContact O-CB 3.3Å; F772-Y788 HydrophobicContact CD2-CD1 4.43Å; F772-Y788 PolarHBondContact N-O 2.87Å; F772-Y788 PolarHBondContact O-N 2.74Å; F772-V790 HydrophobicContact CE2-CG1 4.49Å; F772-V802 HydrophobicContact CD2-CG1 3.92Å; F772-V802 HydrophobicContact CE1-CG2 4.28Å; F772-V802 HydrophobicContact CE2-CG1 4.17Å; F772-V802 HydrophobicContact CE2-CG2 4.42Å; F772-V802 HydrophobicContact CG-CG1 4.2Å; F772-V802 HydrophobicContact CZ-CG2 4.15Å; F772-L817 HydrophobicContact CB-CD1 4.09Å; F772-L817 HydrophobicContact CD1-CD1 3.81Å; F772-L817 HydrophobicContact CG-CD1 4.27Å; F772-V819 HydrophobicContact CE1-CG1 4.18Å |
| 773 | V | 98.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 128.5 | 172.9 | -167.2 | 0 | 0 | 0 | 0 | 108 | V726 V727 R771 L775 F784 | V726-V773 CarbonylContact C-O 3.56Å; V726-V773 WeakPolarHBondContact CA-O 3.44Å; V727-V773 HydrophobicContact CB-CB 4.24Å; V727-V773 PolarHBondContact N-O 3.44Å; V727-V773 PolarHBondContact O-N 3.43Å; R771-V773 HydrophobicContact CG-CG2 3.97Å; R771-V773 VanDerWaalsContact CZ-CG2 3.42Å; V773-L775 HydrophobicContact CG1-CD1 4.39Å; V773-L775 HydrophobicContact CG1-CD2 3.89Å; V773-L775 HydrophobicContact CG1-CG 3.96Å; V773-F784 HydrophobicContact CG1-CD2 4.28Å; V773-F784 HydrophobicContact CG1-CE2 4.19Å |
| 774 | V | 96.1 | Very high | 90 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.9 | 175.5 | -171.1 | 0 | 0 | 0 | 0 | 107.8 | L709 P724 Y725 V726 I785 G786 L804 L817 | L709-V774 HydrophobicContact CD1-CG1 3.89Å; L709-V774 HydrophobicContact CD2-CG1 4.23Å; P724-V774 HydrophobicContact CB-CG1 4.36Å; Y725-V774 WeakPolarHBondContact O-CA 3.4Å; V726-V774 HydrophobicContact CG2-CG2 4.26Å; V774-I785 HydrophobicContact CB-CB 4.29Å; V774-I785 HydrophobicContact CG1-CB 4.15Å; V774-I785 HydrophobicContact CG1-CD1 4.2Å; V774-I785 HydrophobicContact CG1-CG2 4.3Å; V774-I785 WeakPolarHBondContact O-CB 3.47Å; V774-I785 PolarHBondContact O-N 3.44Å; V774-G786 PolarHBondContact N-O 2.86Å; V774-G786 PolarHBondContact O-N 3.39Å; V774-L804 HydrophobicContact CB-CD1 4.26Å; V774-L804 HydrophobicContact CG2-CD1 3.57Å; V774-L804 HydrophobicContact CG2-CD2 4.09Å; V774-L817 HydrophobicContact CG2-CD1 4.06Å; V774-L817 HydrophobicContact CG2-CD2 3.94Å; V774-L817 HydrophobicContact CG2-CG 4.29Å |
| 775 | L | 93.9 | Very high | 90.1 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 153.3 | -176 | -61.7 | 173 | 0 | 0 | 0 | 109.1 | P724 Y725 V727 V773 D782 D783 F784 | P724-L775 CarbonylContact C-O 3.49Å; P724-L775 VanDerWaalsContact CA-O 3.24Å; P724-L775 WeakPolarHBondContact CA-O 3.38Å; Y725-L775 HydrophobicContact CD1-CB 4.15Å; Y725-L775 HydrophobicContact CE1-CB 3.6Å; Y725-L775 HydrophobicContact CE1-CD1 4.43Å; Y725-L775 HydrophobicContact CE2-CB 4.28Å; Y725-L775 HydrophobicContact CE2-CD1 4.06Å; Y725-L775 PolarHBondContact N-O 3.16Å; Y725-L775 PolarHBondContact O-N 2.81Å; Y725-L775 WeakPolarHBondContact OH-CD1 3.49Å; V727-L775 HydrophobicContact CG2-CD1 4.13Å; V773-L775 HydrophobicContact CG1-CD1 4.39Å; V773-L775 HydrophobicContact CG1-CD2 3.89Å; V773-L775 HydrophobicContact CG1-CG 3.96Å; L775-D782 HydrophobicContact CB-CB 4.14Å; L775-D782 HydrophobicContact CD1-CB 4.31Å; L775-D783 CarbonylContact C-O 3.49Å; L775-D783 WeakPolarHBondContact CA-O 3.34Å; L775-F784 HydrophobicContact CD2-CB 4.28Å; L775-F784 HydrophobicContact CD2-CD2 4.24Å |
| 776 | D | 90.7 | Very high | 90.3 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.059 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.3 | 170.6 | -158.7 | 11.7 | 0 | 0 | 0 | 108.6 | P712 I722 D723 D778 D782 D783 I785 | P712-D776 HydrophobicContact CG-CB 3.93Å; I722-D776 WeakPolarHBondContact CA-OD1 3.35Å; D723-D776 PolarHBondContact N-OD1 2.95Å; D776-D778 PolarHBondContact O-N 2.96Å; D776-D782 VanDerWaalsContact O-CA 3.27Å; D776-D782 WeakPolarHBondContact O-CA 3.31Å; D776-D782 WeakPolarHBondContact O-CB 3.41Å; D776-D783 HydrophobicContact CB-CB 4.05Å; D776-D783 PolarHBondContact N-O 3.35Å; D776-D783 PolarHBondContact O-N 3.29Å; D776-D783 VanDerWaalsContact O-N 3.15Å; D776-I785 HydrophobicContact CB-CD1 4Å; D776-I785 HydrophobicContact CB-CG1 4.35Å |
| 777 | D | 88.2 | Confident | 90.6 | Very high | 65 Ų | 65 | 37.5 Ų | 37.5 | 35% | 0.348 | 19% | 0.191 | S | C | . | . | trans | -75.5 | 89.8 | -178.7 | -170.3 | 12.4 | 0 | 0 | 0 | 110 | D723 Y725 T744 | D723-D777 WeakPolarHBondContact O-CB 3.41Å; D723-D777 PolarHBondContact O-N 2.82Å; Y725-D777 HydrophobicContact CD1-CB 3.86Å; Y725-D777 HydrophobicContact CE1-CB 4.11Å; T744-D777 WeakPolarHBondContact CB-OD2 3.44Å; T744-D777 HydrophobicContact CG2-CB 3.52Å; T744-D777 PolarHBondContact OG1-OD2 3.12Å | ||
| 778 | D | 78.8 | Confident | 90.8 | Very high | 45 Ų | 45 | 38.6 Ų | 38.6 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | trans | -109.1 | 144.8 | -171.1 | -128.3 | 10.1 | 0 | 0 | 0 | 110.6 | K718 D776 I780 G781 | K718-D778 IonicContact NZ-OD2 3.04Å; K718-D778 PolarHBondContact NZ-OD2 3.4Å; D776-D778 PolarHBondContact O-N 2.96Å; D778-I780 PolarHBondContact O-N 3.45Å; D778-G781 WeakPolarHBondContact CB-O 3.4Å | ||
| 779 | Y | 69.8 | Low | 90.9 | Very high | 234 Ų | 234 | 38.9 Ų | 38.9 | 92% | 0.918 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.4 | -174.2 | -167.6 | -95.4 | 0 | 0 | 0 | 113.8 | ||
| 780 | I | 72.4 | Confident | 90.9 | Very high | 151 Ų | 151 | 39 Ų | 39 | 77% | 0.774 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | 71.7 | -179.9 | -49.6 | 179.5 | 0 | 0 | 0 | 109.4 | D778 | D778-I780 PolarHBondContact O-N 3.45Š|
| 781 | G | 75.3 | Confident | 90.8 | Very high | 49 Ų | 49 | 39.2 Ų | 39.2 | 51% | 0.505 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 78.2 | 139.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D778 | D778-G781 WeakPolarHBondContact CB-O 3.4Š|
| 782 | D | 86.9 | Confident | 90.7 | Very high | 67 Ų | 67 | 38.3 Ų | 38.3 | 36% | 0.358 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -79.2 | 130.1 | -171 | -51.6 | -28.9 | 0 | 0 | 0 | 111 | Y725 L775 D776 | Y725-D782 HydrophobicContact CE1-CB 4.22Å; Y725-D782 VanDerWaalsContact OH-CG 3.32Å; Y725-D782 PolarHBondContact OH-OD2 2.86Å; L775-D782 HydrophobicContact CB-CB 4.14Å; L775-D782 HydrophobicContact CD1-CB 4.31Å; D776-D782 VanDerWaalsContact O-CA 3.27Å; D776-D782 WeakPolarHBondContact O-CA 3.31Å; D776-D782 WeakPolarHBondContact O-CB 3.41Å |
| 783 | D | 89.5 | Confident | 90.4 | Very high | 48 Ų | 48 | 40.4 Ų | 40.4 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 133.7 | -176 | -87.7 | -28.7 | 0 | 0 | 0 | 110.5 | P712 K718 L775 D776 I785 | P712-D783 HydrophobicContact CB-CB 3.63Å; P712-D783 HydrophobicContact CG-CB 3.64Å; K718-D783 IonicContact NZ-OD2 2.72Å; L775-D783 CarbonylContact C-O 3.49Å; L775-D783 WeakPolarHBondContact CA-O 3.34Å; D776-D783 HydrophobicContact CB-CB 4.05Å; D776-D783 PolarHBondContact N-O 3.35Å; D776-D783 PolarHBondContact O-N 3.29Å; D776-D783 VanDerWaalsContact O-N 3.15Å; D783-I785 PolarHBondContact O-N 2.9Å |
| 784 | F | 92.8 | Very high | 90.3 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 23% | 0.232 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 129.1 | -177.5 | 177.6 | -85.5 | 0 | 0 | 0 | 112.5 | V773 L775 G786 Q787 L807 | V773-F784 HydrophobicContact CG1-CD2 4.28Å; V773-F784 HydrophobicContact CG1-CE2 4.19Å; L775-F784 HydrophobicContact CD2-CB 4.28Å; L775-F784 HydrophobicContact CD2-CD2 4.24Å; F784-G786 VanDerWaalsContact CZ-CA 3.5Å; F784-Q787 HydrophobicContact CE2-CB 3.89Å; F784-Q787 HydrophobicContact CE2-CG 4.2Å; F784-Q787 HydrophobicContact CZ-CB 3.86Å; F784-Q787 HydrophobicContact CZ-CG 3.82Å; F784-L807 HydrophobicContact CD1-CB 4.11Å; F784-L807 HydrophobicContact CD2-CD1 4.34Å; F784-L807 HydrophobicContact CE1-CB 3.84Å; F784-L807 HydrophobicContact CE1-CD1 4.45Å; F784-L807 VanDerWaalsContact CE1-N 3.32Å; F784-L807 HydrophobicContact CE2-CD1 4.23Å; F784-L807 HydrophobicContact CG-CD1 4.47Å; F784-L807 HydrophobicContact CZ-CB 4.31Å; F784-L807 HydrophobicContact CZ-CD1 4.29Å |
| 785 | I | 92.7 | Very high | 90.2 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -54.1 | 174.8 | -62.5 | 172.5 | 0 | 0 | 0 | 111 | L709 P710 P712 I722 P724 V774 D776 D783 L812 | L709-I785 HydrophobicContact CB-CG2 4.19Å; L709-I785 HydrophobicContact CD2-CG2 4.19Å; P710-I785 HydrophobicContact CG-CG2 4.16Å; P712-I785 HydrophobicContact CG-CG1 3.93Å; I722-I785 HydrophobicContact CD1-CD1 4.17Å; P724-I785 HydrophobicContact CB-CD1 4.12Å; V774-I785 HydrophobicContact CB-CB 4.29Å; V774-I785 HydrophobicContact CG1-CB 4.15Å; V774-I785 HydrophobicContact CG1-CD1 4.2Å; V774-I785 HydrophobicContact CG1-CG2 4.3Å; V774-I785 WeakPolarHBondContact O-CB 3.47Å; V774-I785 PolarHBondContact O-N 3.44Å; D776-I785 HydrophobicContact CB-CD1 4Å; D776-I785 HydrophobicContact CB-CG1 4.35Å; D783-I785 PolarHBondContact O-N 2.9Å; I785-L812 WeakPolarHBondContact O-CD1 3.46Å |
| 786 | G | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 164.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V774 F784 L805 | V774-G786 PolarHBondContact N-O 2.86Å; V774-G786 PolarHBondContact O-N 3.39Å; F784-G786 VanDerWaalsContact CZ-CA 3.5Å; G786-L805 CarbonylContact C-O 3.43Å; G786-L805 VanDerWaalsContact CA-O 3.26Å; G786-L805 WeakPolarHBondContact CA-O 2.93Å |
| 787 | Q | 97.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 160.6 | 179 | 68.9 | -169.4 | 6.2 | 0 | 0 | 112.6 | D655 F772 F784 L805 L807 | D655-Q787 HydrophobicContact CB-CG 4.49Å; D655-Q787 PolarHBondContact OD1-NE2 2.87Å; F772-Q787 CarbonylContact O-C 3.5Å; F772-Q787 WeakPolarHBondContact O-CA 3.46Å; F772-Q787 WeakPolarHBondContact O-CB 3.3Å; F784-Q787 HydrophobicContact CE2-CB 3.89Å; F784-Q787 HydrophobicContact CE2-CG 4.2Å; F784-Q787 HydrophobicContact CZ-CB 3.86Å; F784-Q787 HydrophobicContact CZ-CG 3.82Å; Q787-L805 PolarHBondContact N-O 3.45Å; Q787-L805 WeakPolarHBondContact O-CB 3.42Å; Q787-L805 PolarHBondContact O-N 3.2Å; Q787-L807 PolarHBondContact NE2-O 2.76Å |
| 788 | Y | 98.3 | Very high | 90.5 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 9% | 0.094 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 126.9 | 169.2 | -171.4 | -99.5 | 0 | 0 | 0 | 110.7 | L309 R771 F772 V790 V802 P803 L805 | L309-Y788 HydrophobicContact CD2-CD1 4.38Å; L309-Y788 HydrophobicContact CD2-CE1 4.16Å; R771-Y788 CarbonylContact C-O 3.58Å; R771-Y788 WeakPolarHBondContact CA-O 3.32Å; F772-Y788 HydrophobicContact CD2-CD1 4.43Å; F772-Y788 PolarHBondContact N-O 2.87Å; F772-Y788 PolarHBondContact O-N 2.74Å; Y788-V790 HydrophobicContact CD1-CB 4.41Å; Y788-V790 HydrophobicContact CE1-CB 3.86Å; Y788-V790 HydrophobicContact CE1-CG1 4.26Å; Y788-V802 HydrophobicContact CD1-CG1 3.34Å; Y788-V802 HydrophobicContact CE1-CG1 4.07Å; Y788-V802 HydrophobicContact CG-CG1 3.62Å; Y788-P803 HydrophobicContact CD2-CG 4.24Å; Y788-P803 WeakPolarHBondContact CD2-O 3.2Å; Y788-P803 HydrophobicContact CE2-CG 3.79Å; Y788-L805 HydrophobicContact CD2-CD1 4.39Å; Y788-L805 HydrophobicContact CD2-CG 4.31Å |
| 789 | S | 98.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 137.8 | 175.4 | -74.5 | 0 | 0 | 0 | 0 | 111.4 | D655 G659 L770 R771 | D655-S789 VanDerWaalsContact CG-OG 3.27Å; D655-S789 WeakPolarHBondContact O-CB 3.32Å; D655-S789 PolarHBondContact OD2-OG 3.16Å; G659-S789 WeakPolarHBondContact CA-O 3.22Å; L770-S789 WeakPolarHBondContact O-CA 3.39Å; R771-S789 WeakPolarHBondContact CB-OG 3.41Å; R771-S789 WeakPolarHBondContact CD-OG 3.43Å; R771-S789 VanDerWaalsContact CG-OG 3.28Å; R771-S789 WeakPolarHBondContact CG-OG 3.49Å |
| 790 | V | 97.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 139.9 | 179.2 | 61.6 | 0 | 0 | 0 | 0 | 111.5 | L309 L310 L769 L770 F772 Y788 C794 L795 | L309-V790 HydrophobicContact CD2-CG1 3.81Å; L310-V790 HydrophobicContact CD1-CG2 4.17Å; L769-V790 WeakPolarHBondContact CA-O 3.44Å; L770-V790 HydrophobicContact CB-CG1 4.36Å; L770-V790 PolarHBondContact N-O 3.28Å; L770-V790 PolarHBondContact O-N 3.29Å; F772-V790 HydrophobicContact CE2-CG1 4.49Å; Y788-V790 HydrophobicContact CD1-CB 4.41Å; Y788-V790 HydrophobicContact CE1-CB 3.86Å; Y788-V790 HydrophobicContact CE1-CG1 4.26Å; V790-C794 HydrophobicContact CG2-CB 3.9Å; V790-L795 HydrophobicContact CG1-CD2 3.49Å; V790-L795 VanDerWaalsContact CG1-CD2 3.49Å; V790-L795 HydrophobicContact CG1-CG 4.37Å; V790-L795 HydrophobicContact CG2-CD2 4.42Å |
| 791 | A | 97.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 139 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L769 E793 C794 | L769-A791 HydrophobicContact CD2-CB 4.15Å; A791-E793 PolarHBondContact O-N 3.1Å; A791-C794 WeakPolarHBondContact O-CA 3.29Å; A791-C794 WeakPolarHBondContact O-CB 3.15Å; A791-C794 PolarHBondContact O-N 3.2Å |
| 792 | F | 96.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -52.8 | -42.5 | -176.8 | 179.6 | -79 | 0 | 0 | 0 | 112.9 | Q697 L699 V762 P765 A768 C794 L795 I823 | Q697-F792 HydrophobicContact CB-CZ 3.96Å; L699-F792 HydrophobicContact CB-CE2 3.85Å; L699-F792 HydrophobicContact CD2-CD2 4.06Å; L699-F792 HydrophobicContact CD2-CE2 3.97Å; L699-F792 HydrophobicContact CG-CE2 4.38Å; V762-F792 HydrophobicContact CB-CD2 4.45Å; V762-F792 HydrophobicContact CB-CE2 3.98Å; V762-F792 HydrophobicContact CB-CZ 4.47Å; V762-F792 HydrophobicContact CG1-CD2 4.06Å; V762-F792 HydrophobicContact CG1-CE2 4.05Å; V762-F792 HydrophobicContact CG2-CD2 4.05Å; V762-F792 HydrophobicContact CG2-CE2 3.58Å; V762-F792 HydrophobicContact CG2-CZ 4.44Å; P765-F792 HydrophobicContact CB-CD1 3.58Å; P765-F792 HydrophobicContact CB-CE1 3.71Å; P765-F792 HydrophobicContact CB-CG 4.34Å; P765-F792 HydrophobicContact CG-CE1 4.23Å; P765-F792 WeakPolarHBondContact O-CB 3.17Å; A768-F792 HydrophobicContact CB-CB 3.82Å; A768-F792 HydrophobicContact CB-CD2 4.5Å; A768-F792 HydrophobicContact CB-CG 4.39Å; A768-F792 PolarHBondContact O-N 3.02Å; F792-C794 PolarHBondContact O-N 3.09Å; F792-C794 VanDerWaalsContact O-N 3.13Å; F792-L795 HydrophobicContact CD2-CD1 4.14Å; F792-L795 HydrophobicContact CG-CD1 4.39Å; F792-L795 WeakPolarHBondContact O-CB 3.32Å; F792-L795 WeakPolarHBondContact O-CG 3.28Å; F792-L795 PolarHBondContact O-N 3.16Å; F792-L795 VanDerWaalsContact O-N 3.08Å; F792-I823 HydrophobicContact CE1-CG2 4.35Å; F792-I823 HydrophobicContact CZ-CD1 4.38Å; F792-I823 HydrophobicContact CZ-CG1 4.43Å; F792-I823 HydrophobicContact CZ-CG2 3.91Å |
| 793 | E | 91.7 | Very high | 95.3 | Very high | 44 Ų | 44 | 17 Ų | 17 | 21% | 0.206 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -60.1 | -26.5 | 179.8 | -68.9 | -61 | 116.7 | 0 | 0 | 112.9 | P765 E766 A791 K831 | P765-E793 VanDerWaalsContact CB-OE1 3.22Å; P765-E793 WeakPolarHBondContact CB-OE1 3.34Å; E766-E793 HydrophobicContact CG-CG 4.35Å; A791-E793 PolarHBondContact O-N 3.1Å; E793-K831 PolarHBondContact O-NZ 3.4Å; E793-K831 VanDerWaalsContact O-NZ 3.11Å |
| 794 | C | 95.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.014 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -86.5 | -5.5 | -179 | -54.3 | 0 | 0 | 0 | 0 | 113.7 | L310 D311 H314 Q663 V790 A791 F792 Q796 | L310-C794 HydrophobicContact CD1-CB 3.76Å; D311-C794 WeakPolarHBondContact CB-O 3.18Å; D311-C794 PolarHBondContact N-O 3.07Å; H314-C794 PolarHBondContact ND1-SG 3.2Å; Q663-C794 VanDerWaalsContact CB-SG 3.53Å; V790-C794 HydrophobicContact CG2-CB 3.9Å; A791-C794 WeakPolarHBondContact O-CA 3.29Å; A791-C794 WeakPolarHBondContact O-CB 3.15Å; A791-C794 PolarHBondContact O-N 3.2Å; F792-C794 PolarHBondContact O-N 3.09Å; F792-C794 VanDerWaalsContact O-N 3.13Å; C794-Q796 PolarHBondContact O-N 2.84Å |
| 795 | L | 95.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | B | Isolated β-bridge | trans | -70.6 | 125.7 | -178.7 | -68.8 | 170.9 | 0 | 0 | 0 | 111.6 | L309 L699 L770 V790 F792 I823 K831 | L309-L795 HydrophobicContact CD1-CD2 3.7Å; L309-L795 HydrophobicContact CD2-CD2 3.85Å; L309-L795 HydrophobicContact CG-CD2 3.79Å; L699-L795 HydrophobicContact CD1-CD1 4.07Å; L699-L795 HydrophobicContact CD2-CD1 4.03Å; L770-L795 HydrophobicContact CD2-CD1 4.28Å; L770-L795 HydrophobicContact CD2-CD2 4.07Å; V790-L795 HydrophobicContact CG1-CD2 3.49Å; V790-L795 VanDerWaalsContact CG1-CD2 3.49Å; V790-L795 HydrophobicContact CG1-CG 4.37Å; V790-L795 HydrophobicContact CG2-CD2 4.42Å; F792-L795 HydrophobicContact CD2-CD1 4.14Å; F792-L795 HydrophobicContact CG-CD1 4.39Å; F792-L795 WeakPolarHBondContact O-CB 3.32Å; F792-L795 WeakPolarHBondContact O-CG 3.28Å; F792-L795 PolarHBondContact O-N 3.16Å; F792-L795 VanDerWaalsContact O-N 3.08Å; L795-I823 HydrophobicContact CB-CD1 3.97Å; L795-I823 HydrophobicContact CD1-CD1 4.46Å; L795-K831 WeakPolarHBondContact O-CE 2.93Å; L795-K831 PolarHBondContact O-NZ 3.29Å |
| 796 | Q | 92.5 | Very high | 95.9 | Very high | 35 Ų | 35 | 13.6 Ų | 13.6 | 16% | 0.164 | 7% | 0.074 | C | C | . | . | P | Polyproline II helix | trans | -86.3 | 138.2 | 168 | -73.3 | -75 | -57.3 | 0 | 0 | 111.2 | L309 D311 C794 R800 V821 | L309-Q796 PolarHBondContact O-N 3.33Å; D311-Q796 HydrophobicContact CB-CG 3.95Å; D311-Q796 PolarHBondContact OD2-NE2 3.07Å; C794-Q796 PolarHBondContact O-N 2.84Å; Q796-R800 HydrophobicContact CB-CG 4.5Å; Q796-V821 WeakPolarHBondContact O-CB 3.17Å |
| 797 | P | 92.8 | Very high | 95.7 | Very high | 31 Ų | 31 | 17.6 Ų | 17.6 | 20% | 0.201 | 10% | 0.095 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 163.9 | 173.1 | 32.5 | -35.2 | 0 | 0 | 0 | 111.8 | R800 V821 | P797-R800 PolarHBondContact O-NE 2.65Å; P797-R800 PolarHBondContact O-NH2 2.87Å; P797-V821 CarbonylContact C-O 3.54Å; P797-V821 WeakPolarHBondContact CA-O 3.35Å |
| 798 | G | 94.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.6 | -165.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | E263 R800 H820 V821 | E263-G798 WeakPolarHBondContact O-CA 3.45Å; G798-R800 PolarHBondContact O-N 3.39Å; G798-H820 CarbonylContact O-C 3.41Å; G798-H820 WeakPolarHBondContact O-CA 3.22Å; G798-V821 PolarHBondContact N-O 2.68Å; G798-V821 PolarHBondContact O-N 3.26Å |
| 799 | Y | 96.3 | Very high | 95.1 | Very high | 35 Ų | 35 | 19.1 Ų | 19.1 | 14% | 0.137 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 116.2 | 178.6 | -63.3 | -90.7 | 0 | 0 | 0 | 110.1 | L240 F259 E263 Q264 I704 F818 V819 H820 | L240-Y799 HydrophobicContact CD1-CD2 4.49Å; L240-Y799 HydrophobicContact CD1-CE1 4.19Å; L240-Y799 HydrophobicContact CD1-CE2 3.71Å; L240-Y799 WeakPolarHBondContact CD1-OH 3.47Å; L240-Y799 HydrophobicContact CD2-CD1 3.86Å; L240-Y799 HydrophobicContact CD2-CD2 3.99Å; L240-Y799 HydrophobicContact CD2-CE1 3.83Å; L240-Y799 HydrophobicContact CD2-CE2 3.98Å; L240-Y799 HydrophobicContact CD2-CG 3.92Å; F259-Y799 AromaticContact CE2-CD2 3.77Å; F259-Y799 HydrophobicContact CE2-CD2 3.77Å; F259-Y799 HydrophobicContact CE2-CE2 4.14Å; F259-Y799 HydrophobicContact CZ-CD2 4.24Å; E263-Y799 HydrophobicContact CB-CD2 4.17Å; E263-Y799 HydrophobicContact CB-CE2 3.98Å; E263-Y799 HydrophobicContact CG-CE2 4.21Å; Q264-Y799 VanDerWaalsContact NE2-N 3.2Å; Q264-Y799 PolarHBondContact NE2-O 2.58Å; Q264-Y799 PolarHBondContact OE1-O 3.41Å; I704-Y799 HydrophobicContact CD1-CD1 3.7Å; I704-Y799 HydrophobicContact CD1-CE1 3.72Å; Y799-F818 AromaticContact CD1-CE1 3.99Å; Y799-F818 HydrophobicContact CD1-CE1 3.99Å; Y799-F818 HydrophobicContact CD1-CE2 4.36Å; Y799-F818 AromaticContact CD1-CZ 3.6Å; Y799-F818 HydrophobicContact CD1-CZ 3.6Å; Y799-F818 HydrophobicContact CG-CZ 4.06Å; Y799-V819 CarbonylContact C-O 3.43Å; Y799-V819 WeakPolarHBondContact CA-O 2.89Å; Y799-H820 HydrophobicContact CD1-CB 3.99Å; Y799-H820 AromaticContact CD2-CD2 3.76Å; Y799-H820 HydrophobicContact CE1-CB 4.04Å; Y799-H820 AromaticContact CE2-CD2 3.68Å; Y799-H820 AromaticContact CZ-CD2 3.88Å |
| 800 | R | 97.1 | Very high | 94.8 | Very high | 6 Ų | 6 | 24 Ų | 24 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 149.5 | -173.5 | -58 | -60.4 | 168.8 | -175.8 | -7.5 | 112 | Q264 E306 C307 L309 Q796 P797 G798 V819 V821 | Q264-R800 PolarHBondContact O-NH2 3.16Å; E306-R800 PolarHBondContact O-NH1 2.78Å; C307-R800 CarbonylContact O-C 3.58Å; C307-R800 WeakPolarHBondContact O-CA 3.49Å; L309-R800 HydrophobicContact CB-CB 4.28Å; L309-R800 HydrophobicContact CD1-CB 3.98Å; L309-R800 HydrophobicContact CD1-CG 4.17Å; Q796-R800 HydrophobicContact CB-CG 4.5Å; P797-R800 PolarHBondContact O-NE 2.65Å; P797-R800 PolarHBondContact O-NH2 2.87Å; G798-R800 PolarHBondContact O-N 3.39Å; R800-V819 HydrophobicContact CB-CG2 4.22Å; R800-V819 PolarHBondContact N-O 3.14Å; R800-V819 PolarHBondContact O-N 2.88Å; R800-V821 HydrophobicContact CG-CG2 4.49Å |
| 801 | N | 96.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 28.7 Ų | 28.7 | 6% | 0.064 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132 | 166.8 | -80.2 | -61.7 | 0 | 0 | 0 | 110.9 | L302 C307 L309 L817 | L302-N801 PolarHBondContact O-ND2 3.27Å; C307-N801 PolarHBondContact O-N 2.93Å; L309-N801 PolarHBondContact N-O 3.46Å; N801-L817 CarbonylContact C-O 3.52Å; N801-L817 WeakPolarHBondContact CA-O 3.44Å |
| 802 | V | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 103 | 174.6 | -165.6 | 0 | 0 | 0 | 0 | 107.6 | L309 F772 Y788 L804 S816 L817 V819 | L309-V802 HydrophobicContact CB-CG2 4.31Å; L309-V802 HydrophobicContact CD2-CB 4.47Å; L309-V802 HydrophobicContact CD2-CG1 4.05Å; L309-V802 HydrophobicContact CD2-CG2 3.8Å; F772-V802 HydrophobicContact CD2-CG1 3.92Å; F772-V802 HydrophobicContact CE1-CG2 4.28Å; F772-V802 HydrophobicContact CE2-CG1 4.17Å; F772-V802 HydrophobicContact CE2-CG2 4.42Å; F772-V802 HydrophobicContact CG-CG1 4.2Å; F772-V802 HydrophobicContact CZ-CG2 4.15Å; Y788-V802 HydrophobicContact CD1-CG1 3.34Å; Y788-V802 HydrophobicContact CE1-CG1 4.07Å; Y788-V802 HydrophobicContact CG-CG1 3.62Å; V802-L804 PolarHBondContact O-N 3.41Å; V802-S816 CarbonylContact O-C 3.39Å; V802-S816 WeakPolarHBondContact O-CA 3.41Å; V802-S816 WeakPolarHBondContact O-CB 3.48Å; V802-L817 HydrophobicContact CB-CB 4.04Å; V802-L817 HydrophobicContact CG2-CB 4.23Å; V802-L817 PolarHBondContact N-O 3.24Å; V802-L817 PolarHBondContact O-N 3.26Å; V802-V819 HydrophobicContact CG2-CB 4.48Å; V802-V819 HydrophobicContact CG2-CG1 3.96Å; V802-V819 HydrophobicContact CG2-CG2 3.62Å |
| 803 | P | 95.6 | Very high | 94 | Very high | 44 Ų | 44 | 35 Ų | 35 | 29% | 0.286 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 131.1 | 177.5 | 28.2 | -32.7 | 0 | 0 | 0 | 109.5 | Y788 | Y788-P803 HydrophobicContact CD2-CG 4.24Å; Y788-P803 WeakPolarHBondContact CD2-O 3.2Å; Y788-P803 HydrophobicContact CE2-CG 3.79Å |
| 804 | L | 96.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 143.2 | -180 | -64.5 | -175.2 | 0 | 0 | 0 | 111.6 | L709 V774 V802 L812 T815 L817 | L709-L804 HydrophobicContact CD2-CD1 3.68Å; V774-L804 HydrophobicContact CB-CD1 4.26Å; V774-L804 HydrophobicContact CG2-CD1 3.57Å; V774-L804 HydrophobicContact CG2-CD2 4.09Å; V802-L804 PolarHBondContact O-N 3.41Å; L804-L812 HydrophobicContact CB-CD1 3.99Å; L804-L812 WeakPolarHBondContact O-CB 3.42Å; L804-L812 PolarHBondContact O-N 3.03Å; L804-T815 HydrophobicContact CB-CG2 4.03Å; L804-T815 HydrophobicContact CD1-CG2 3.84Å; L804-T815 HydrophobicContact CG-CG2 4.3Å; L804-T815 PolarHBondContact N-O 3.09Å; L804-L817 HydrophobicContact CD1-CD2 4.45Å; L804-L817 HydrophobicContact CD1-CG 4.32Å; L804-L817 HydrophobicContact CD2-CD1 4.16Å; L804-L817 HydrophobicContact CD2-CG 4.06Å; L804-L817 HydrophobicContact CG-CG 4.42Å |
| 805 | L | 96.1 | Very high | 93.6 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 149.5 | 174.7 | -50.8 | 178.7 | 0 | 0 | 0 | 109.7 | G786 Q787 Y788 D810 P811 | G786-L805 CarbonylContact C-O 3.43Å; G786-L805 VanDerWaalsContact CA-O 3.26Å; G786-L805 WeakPolarHBondContact CA-O 2.93Å; Q787-L805 PolarHBondContact N-O 3.45Å; Q787-L805 WeakPolarHBondContact O-CB 3.42Å; Q787-L805 PolarHBondContact O-N 3.2Å; Y788-L805 HydrophobicContact CD2-CD1 4.39Å; Y788-L805 HydrophobicContact CD2-CG 4.31Å; L805-D810 CarbonylContact C-O 3.52Å; L805-D810 VanDerWaalsContact CA-O 3.31Å; L805-D810 WeakPolarHBondContact CA-O 3.22Å; L805-P811 HydrophobicContact CD2-CB 4.18Å |
| 806 | G | 94.8 | Very high | 93.6 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | trans | -69.2 | 179.5 | 170 | 0 | 0 | 0 | 0 | 0 | 112.2 | A808 G809 D810 | G806-A808 VanDerWaalsContact C-N 3.31Å; G806-A808 PolarHBondContact O-N 2.9Å; G806-G809 VanDerWaalsContact O-CA 3.29Å; G806-G809 WeakPolarHBondContact O-CA 3.39Å; G806-G809 PolarHBondContact O-N 3.07Å; G806-D810 PolarHBondContact N-O 3.14Å | ||
| 807 | L | 92.8 | Very high | 93.8 | Very high | 83 Ų | 83 | 38.1 Ų | 38.1 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -38.1 | -176 | -172.9 | 65.1 | 0 | 0 | 0 | 113 | P650 F784 Q787 G809 | P650-L807 HydrophobicContact CB-CG 4.22Å; P650-L807 WeakPolarHBondContact CB-O 3.18Å; P650-L807 HydrophobicContact CG-CG 4.48Å; F784-L807 HydrophobicContact CD1-CB 4.11Å; F784-L807 HydrophobicContact CD2-CD1 4.34Å; F784-L807 HydrophobicContact CE1-CB 3.84Å; F784-L807 HydrophobicContact CE1-CD1 4.45Å; F784-L807 VanDerWaalsContact CE1-N 3.32Å; F784-L807 HydrophobicContact CE2-CD1 4.23Å; F784-L807 HydrophobicContact CG-CD1 4.47Å; F784-L807 HydrophobicContact CZ-CB 4.31Å; F784-L807 HydrophobicContact CZ-CD1 4.29Å; Q787-L807 PolarHBondContact NE2-O 2.76Å; L807-G809 PolarHBondContact O-N 2.95Å |
| 808 | A | 90.3 | Very high | 94 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 46% | 0.463 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -5.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P650 R658 G806 | P650-A808 HydrophobicContact CB-CB 4.44Å; R658-A808 PolarHBondContact NH2-O 3.46Å; G806-A808 VanDerWaalsContact C-N 3.31Å; G806-A808 PolarHBondContact O-N 2.9Å |
| 809 | G | 91.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | trans | 80.4 | 19.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R658 G806 L807 | R658-G809 PolarHBondContact NH1-O 3.18Å; G806-G809 VanDerWaalsContact O-CA 3.29Å; G806-G809 WeakPolarHBondContact O-CA 3.39Å; G806-G809 PolarHBondContact O-N 3.07Å; L807-G809 PolarHBondContact O-N 2.95Å | ||
| 810 | D | 92.4 | Very high | 94.1 | Very high | 107 Ų | 107 | 36.9 Ų | 36.9 | 57% | 0.572 | 22% | 0.217 | S | C | * | . | P | Polyproline II helix | trans | -73.3 | 141.9 | 168.8 | -58.8 | -56.9 | 0 | 0 | 0 | 110 | L805 G806 L812 | L805-D810 CarbonylContact C-O 3.52Å; L805-D810 VanDerWaalsContact CA-O 3.31Å; L805-D810 WeakPolarHBondContact CA-O 3.22Å; G806-D810 PolarHBondContact N-O 3.14Å; D810-L812 PolarHBondContact O-N 2.99Å |
| 811 | P | 93.6 | Very high | 94.1 | Very high | 102 Ų | 102 | 36.7 Ų | 36.7 | 66% | 0.662 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 133.1 | -179 | 26.9 | -33.7 | 0 | 0 | 0 | 111.7 | L805 P813 | L805-P811 HydrophobicContact CD2-CB 4.18Å; P811-P813 WeakPolarHBondContact O-CD 3.5Å |
| 812 | L | 92.7 | Very high | 94 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 19% | 0.194 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 117.2 | 171.8 | -61.7 | 177.2 | 0 | 0 | 0 | 109.1 | P710 I785 L804 D810 H814 T815 | P710-L812 HydrophobicContact CG-CD1 4.08Å; P710-L812 HydrophobicContact CG-CD2 4.41Å; I785-L812 WeakPolarHBondContact O-CD1 3.46Å; L804-L812 HydrophobicContact CB-CD1 3.99Å; L804-L812 WeakPolarHBondContact O-CB 3.42Å; L804-L812 PolarHBondContact O-N 3.03Å; D810-L812 PolarHBondContact O-N 2.99Å; L812-H814 PolarHBondContact O-N 2.94Å; L812-T815 HydrophobicContact CB-CG2 4.32Å; L812-T815 HydrophobicContact CD1-CG2 4.36Å; L812-T815 PolarHBondContact O-N 3.19Å |
| 813 | P | 89.4 | Confident | 93.6 | Very high | 100 Ų | 100 | 37.9 Ų | 37.9 | 65% | 0.649 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 127.4 | -174.3 | -23.6 | 34.1 | 0 | 0 | 0 | 112.6 | P811 T815 | P811-P813 WeakPolarHBondContact O-CD 3.5Å; P813-T815 PolarHBondContact O-N 3.15Å; P813-T815 VanDerWaalsContact O-N 3.1Å; P813-T815 PolarHBondContact O-OG1 2.75Å |
| 814 | H | 86.8 | Confident | 93.1 | Very high | 118 Ų | 118 | 37.7 Ų | 37.7 | 55% | 0.546 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.1 | 15.8 | 178.5 | -50.8 | -76 | 0 | 0 | 0 | 115 | N708 L812 | N708-H814 WeakPolarHBondContact CB-O 3.34Å; L812-H814 PolarHBondContact O-N 2.94Å |
| 815 | T | 91.7 | Very high | 92.3 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.7 | -179.3 | -52.2 | 0 | 0 | 0 | 0 | 111 | H707 N708 L709 L804 L812 P813 | H707-T815 WeakPolarHBondContact O-CA 3.26Å; N708-T815 PolarHBondContact O-OG1 2.73Å; L709-T815 HydrophobicContact CD2-CG2 3.71Å; L804-T815 HydrophobicContact CB-CG2 4.03Å; L804-T815 HydrophobicContact CD1-CG2 3.84Å; L804-T815 HydrophobicContact CG-CG2 4.3Å; L804-T815 PolarHBondContact N-O 3.09Å; L812-T815 HydrophobicContact CB-CG2 4.32Å; L812-T815 HydrophobicContact CD1-CG2 4.36Å; L812-T815 PolarHBondContact O-N 3.19Å; P813-T815 PolarHBondContact O-N 3.15Å; P813-T815 VanDerWaalsContact O-N 3.1Å; P813-T815 PolarHBondContact O-OG1 2.75Å |
| 816 | S | 94.5 | Very high | 90.5 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 158.8 | -179.7 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | A706 H707 V802 | A706-S816 CarbonylContact C-O 3.59Å; A706-S816 WeakPolarHBondContact CA-O 3.44Å; H707-S816 PolarHBondContact N-O 2.81Å; H707-S816 PolarHBondContact O-N 2.79Å; V802-S816 CarbonylContact O-C 3.39Å; V802-S816 WeakPolarHBondContact O-CA 3.41Å; V802-S816 WeakPolarHBondContact O-CB 3.48Å |
| 817 | L | 96.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 141.4 | 161 | -57.2 | 172.5 | 0 | 0 | 0 | 109.8 | A706 V726 F772 V774 N801 V802 L804 V819 | A706-L817 HydrophobicContact CB-CD2 3.56Å; V726-L817 HydrophobicContact CG1-CD1 3.89Å; V726-L817 HydrophobicContact CG2-CD1 4.37Å; V726-L817 HydrophobicContact CG2-CD2 3.94Å; F772-L817 HydrophobicContact CB-CD1 4.09Å; F772-L817 HydrophobicContact CD1-CD1 3.81Å; F772-L817 HydrophobicContact CG-CD1 4.27Å; V774-L817 HydrophobicContact CG2-CD1 4.06Å; V774-L817 HydrophobicContact CG2-CD2 3.94Å; V774-L817 HydrophobicContact CG2-CG 4.29Å; N801-L817 CarbonylContact C-O 3.52Å; N801-L817 WeakPolarHBondContact CA-O 3.44Å; V802-L817 HydrophobicContact CB-CB 4.04Å; V802-L817 HydrophobicContact CG2-CB 4.23Å; V802-L817 PolarHBondContact N-O 3.24Å; V802-L817 PolarHBondContact O-N 3.26Å; L804-L817 HydrophobicContact CD1-CD2 4.45Å; L804-L817 HydrophobicContact CD1-CG 4.32Å; L804-L817 HydrophobicContact CD2-CD1 4.16Å; L804-L817 HydrophobicContact CD2-CG 4.06Å; L804-L817 HydrophobicContact CG-CG 4.42Å; L817-V819 HydrophobicContact CB-CG1 4.1Å |
| 818 | F | 96.4 | Very high | 86 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.8 | 167.3 | -173.3 | -126 | 0 | 0 | 0 | 109.2 | R234 D236 L240 L302 I704 S705 Y799 | R234-F818 VanDerWaalsContact NH2-CG 3.32Å; D236-F818 WeakPolarHBondContact OD2-CD1 3.46Å; L240-F818 HydrophobicContact CD2-CZ 4.36Å; L302-F818 HydrophobicContact CD1-CE2 4.26Å; L302-F818 HydrophobicContact CD1-CZ 3.95Å; L302-F818 HydrophobicContact CD2-CE2 4.34Å; L302-F818 HydrophobicContact CD2-CZ 4.47Å; I704-F818 HydrophobicContact CB-CD1 3.98Å; I704-F818 WeakPolarHBondContact CB-O 3.29Å; I704-F818 HydrophobicContact CD1-CD1 3.78Å; I704-F818 HydrophobicContact CD1-CE1 3.76Å; I704-F818 HydrophobicContact CG1-CD1 4.49Å; I704-F818 HydrophobicContact CG2-CD1 3.99Å; I704-F818 HydrophobicContact CG2-CE1 4.47Å; I704-F818 PolarHBondContact N-O 3.24Å; S705-F818 PolarHBondContact N-O 3.09Å; S705-F818 PolarHBondContact O-N 2.77Å; Y799-F818 AromaticContact CD1-CE1 3.99Å; Y799-F818 HydrophobicContact CD1-CE1 3.99Å; Y799-F818 HydrophobicContact CD1-CE2 4.36Å; Y799-F818 AromaticContact CD1-CZ 3.6Å; Y799-F818 HydrophobicContact CD1-CZ 3.6Å; Y799-F818 HydrophobicContact CG-CZ 4.06Å |
| 819 | V | 97.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 156.2 | -173.7 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | I701 K702 F772 Y799 R800 V802 L817 V821 | I701-V819 HydrophobicContact CG2-CB 4.46Å; K702-V819 CarbonylContact O-C 3.51Å; K702-V819 WeakPolarHBondContact O-CA 3.38Å; K702-V819 WeakPolarHBondContact O-CB 3.41Å; F772-V819 HydrophobicContact CE1-CG1 4.18Å; Y799-V819 CarbonylContact C-O 3.43Å; Y799-V819 WeakPolarHBondContact CA-O 2.89Å; R800-V819 HydrophobicContact CB-CG2 4.22Å; R800-V819 PolarHBondContact N-O 3.14Å; R800-V819 PolarHBondContact O-N 2.88Å; V802-V819 HydrophobicContact CG2-CB 4.48Å; V802-V819 HydrophobicContact CG2-CG1 3.96Å; V802-V819 HydrophobicContact CG2-CG2 3.62Å; L817-V819 HydrophobicContact CB-CG1 4.1Å; V819-V821 HydrophobicContact CG2-CG2 4Å |
| 820 | H | 96.3 | Very high | 81.9 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 18% | 0.181 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128 | 165.8 | 174.6 | -86.8 | 0 | 0 | 0 | 110.2 | I701 K702 I704 G798 Y799 | I701-H820 WeakPolarHBondContact CA-O 3.43Å; K702-H820 HydrophobicContact CB-CB 4.17Å; K702-H820 PolarHBondContact N-O 2.93Å; K702-H820 PolarHBondContact O-N 3.11Å; I704-H820 HydrophobicContact CD1-CB 4.13Å; G798-H820 CarbonylContact O-C 3.41Å; G798-H820 WeakPolarHBondContact O-CA 3.22Å; Y799-H820 HydrophobicContact CD1-CB 3.99Å; Y799-H820 AromaticContact CD2-CD2 3.76Å; Y799-H820 HydrophobicContact CE1-CB 4.04Å; Y799-H820 AromaticContact CE2-CD2 3.68Å; Y799-H820 AromaticContact CZ-CD2 3.88Å |
| 821 | V | 96.9 | Very high | 79.6 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.4 | -174.8 | -178.4 | 0 | 0 | 0 | 0 | 110 | L309 L699 Q796 P797 G798 R800 V819 I823 | L309-V821 HydrophobicContact CD1-CG2 3.67Å; L699-V821 HydrophobicContact CD1-CG1 3.9Å; Q796-V821 WeakPolarHBondContact O-CB 3.17Å; P797-V821 CarbonylContact C-O 3.54Å; P797-V821 WeakPolarHBondContact CA-O 3.35Å; G798-V821 PolarHBondContact N-O 2.68Å; G798-V821 PolarHBondContact O-N 3.26Å; R800-V821 HydrophobicContact CG-CG2 4.49Å; V819-V821 HydrophobicContact CG2-CG2 4Å; V821-I823 HydrophobicContact CG1-CD1 4.27Å; V821-I823 HydrophobicContact CG1-CG1 4.25Å |
| 822 | A | 93.3 | Very high | 77.1 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | R700 | R700-A822 HydrophobicContact CB-CB 4.26Å; R700-A822 PolarHBondContact N-O 3.07Å; R700-A822 PolarHBondContact O-N 3.25Å |
| 823 | I | 90.7 | Very high | 74.7 | Confident | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 118.1 | 179 | -62.7 | 165.2 | 0 | 0 | 0 | 108.4 | Q697 T698 L699 F792 L795 V821 K831 | Q697-I823 HydrophobicContact CB-CG2 4.4Å; T698-I823 WeakPolarHBondContact O-CA 3.1Å; L699-I823 HydrophobicContact CD1-CD1 4.34Å; L699-I823 HydrophobicContact CD1-CG1 3.76Å; F792-I823 HydrophobicContact CE1-CG2 4.35Å; F792-I823 HydrophobicContact CZ-CD1 4.38Å; F792-I823 HydrophobicContact CZ-CG1 4.43Å; F792-I823 HydrophobicContact CZ-CG2 3.91Å; L795-I823 HydrophobicContact CB-CD1 3.97Å; L795-I823 HydrophobicContact CD1-CD1 4.46Å; V821-I823 HydrophobicContact CG1-CD1 4.27Å; V821-I823 HydrophobicContact CG1-CG1 4.25Å; I823-K831 HydrophobicContact CB-CG 4.03Å; I823-K831 HydrophobicContact CD1-CD 4.39Å; I823-K831 VanDerWaalsContact CD1-CE 3.4Å; I823-K831 HydrophobicContact CD1-CG 4.26Å; I823-K831 HydrophobicContact CG2-CG 3.76Å; I823-K831 PolarHBondContact O-N 3.2Å |
| 824 | T | 85.7 | Confident | 72.7 | Confident | 39 Ų | 39 | 53 Ų | 53 | 24% | 0.239 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149.2 | 179.6 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | Q697 T698 | Q697-T824 CarbonylContact C-O 3.53Å; Q697-T824 WeakPolarHBondContact CA-O 3.44Å; T698-T824 PolarHBondContact N-O 2.72Å; T698-T824 PolarHBondContact O-N 3.19Å |
| 825 | N | 77.6 | Confident | 70.3 | Confident | 35 Ų | 35 | 57.3 Ų | 57.3 | 19% | 0.187 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 155.4 | 166.1 | -64.5 | -51.6 | 0 | 0 | 0 | 109.1 | R827 G828 G829 G830 | N825-R827 PolarHBondContact O-N 3.37Å; N825-G828 PolarHBondContact O-N 2.97Å; N825-G829 VanDerWaalsContact CB-O 3.3Å; N825-G829 WeakPolarHBondContact CB-O 3.43Å; N825-G829 PolarHBondContact N-O 3.32Å; N825-G829 PolarHBondContact ND2-O 3.08Å; N825-G830 PolarHBondContact ND2-O 3.48Å |
| 826 | R | 58.5 | Low | 68 | Low | 130 Ų | 130 | 57.8 Ų | 57.8 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -12.2 | 176.6 | -74.7 | -165.9 | -179.1 | 159 | 9.1 | 116 | C690 P696 N763 | C690-R826 PolarHBondContact SG-NH1 3.25Å; P696-R826 HydrophobicContact CB-CG 4.37Å; P696-R826 HydrophobicContact CG-CG 3.97Å; N763-R826 PolarHBondContact OD1-NH2 3.38Å |
| 827 | R | 47.1 | Very low | 65.5 | Low | 213 Ų | 213 | 57.7 Ų | 57.7 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 17.3 | 175.5 | -70 | -166.9 | -107.3 | -96.7 | -3.5 | 114.3 | N825 G829 | N825-R827 PolarHBondContact O-N 3.37Å; R827-G829 PolarHBondContact O-N 3.22Å |
| 828 | G | 45.6 | Very low | 62.6 | Low | 69 Ų | 69 | 61.3 Ų | 61.3 | 71% | 0.711 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 79 | 13.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | N825 | N825-G828 PolarHBondContact O-N 2.97Š|
| 829 | G | 44.5 | Very low | 59.8 | Low | 36 Ų | 36 | 62.3 Ų | 62.3 | 37% | 0.371 | 34% | 0.335 | S | S | . | . | trans | -98.6 | 138.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N825 R827 | N825-G829 VanDerWaalsContact CB-O 3.3Å; N825-G829 WeakPolarHBondContact CB-O 3.43Å; N825-G829 PolarHBondContact N-O 3.32Å; N825-G829 PolarHBondContact ND2-O 3.08Å; R827-G829 PolarHBondContact O-N 3.22Å | ||
| 830 | G | 51.8 | Low | 56.8 | Low | 49 Ų | 49 | 72.8 Ų | 72.8 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -57 | -176.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N825 A832 | N825-G830 PolarHBondContact ND2-O 3.48Å; G830-A832 PolarHBondContact O-N 2.88Å; G830-A832 VanDerWaalsContact O-N 3.16Å |
| 831 | K | 45 | Very low | 53.8 | Low | 74 Ų | 74 | 79.9 Ų | 79.9 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -31.9 | 118 | -175.8 | -106.6 | -164.5 | 179 | -166.5 | 0 | 112.7 | E793 L795 I823 Q833 | E793-K831 PolarHBondContact O-NZ 3.4Å; E793-K831 VanDerWaalsContact O-NZ 3.11Å; L795-K831 WeakPolarHBondContact O-CE 2.93Å; L795-K831 PolarHBondContact O-NZ 3.29Å; I823-K831 HydrophobicContact CB-CG 4.03Å; I823-K831 HydrophobicContact CD1-CD 4.39Å; I823-K831 VanDerWaalsContact CD1-CE 3.4Å; I823-K831 HydrophobicContact CD1-CG 4.26Å; I823-K831 HydrophobicContact CG2-CG 3.76Å; I823-K831 PolarHBondContact O-N 3.2Å; K831-Q833 PolarHBondContact O-N 3Å |
| 832 | A | 40.6 | Very low | 50.7 | Low | 36 Ų | 36 | 86.9 Ų | 86.9 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | trans | -55.8 | 136.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P695 G830 R834 | P695-A832 HydrophobicContact CG-CB 4.22Å; G830-A832 PolarHBondContact O-N 2.88Å; G830-A832 VanDerWaalsContact O-N 3.16Å; A832-R834 PolarHBondContact O-N 2.83Å | ||
| 833 | Q | 43 | Very low | 47.8 | Very low | 125 Ų | 125 | 88.1 Ų | 88.1 | 58% | 0.584 | 46% | 0.457 | S | S | * | . | trans | -62 | 129.2 | 179.2 | -163.3 | 153.9 | -8.8 | 0 | 0 | 110 | K831 R835 R845 | K831-Q833 PolarHBondContact O-N 3Å; Q833-R835 PolarHBondContact O-N 3.04Å; Q833-R845 VanDerWaalsContact OE1-NH1 3.12Å | ||
| 834 | R | 46.6 | Very low | 45.2 | Very low | 81 Ų | 81 | 100 Ų | 100 | 31% | 0.306 | 50% | 0.501 | S | S | . | . | trans | -46.6 | 90.3 | -177.4 | -61.4 | 177.7 | -178.3 | 161.2 | -1 | 112.1 | D311 E313 A832 | D311-R834 IonicContact OD2-NH2 2.7Å; D311-R834 PolarHBondContact OD2-NH2 3.46Å; E313-R834 IonicContact OE1-CZ 3.33Å; E313-R834 IonicContact OE1-NH1 3.2Å; E313-R834 PolarHBondContact OE1-NH1 3.01Å; E313-R834 IonicContact OE2-CZ 3.06Å; E313-R834 IonicContact OE2-NH1 2.65Å; E313-R834 PolarHBondContact OE2-NH1 2.73Å; E313-R834 IonicContact OE2-NH2 3.28Å; E313-R834 PolarHBondContact OE2-NH2 2.85Å; A832-R834 PolarHBondContact O-N 2.83Å | ||
| 835 | R | 37.2 | Very low | 43 | Very low | 207 Ų | 207 | 106.7 Ų | 106.7 | 78% | 0.781 | 52% | 0.523 | S | S | * | . | trans | -101.2 | -9 | 175.6 | -74.5 | -171.6 | -165 | -159.1 | 1.9 | 113.5 | Q833 E848 | Q833-R835 PolarHBondContact O-N 3.04Å; R835-E848 IonicContact CZ-OE2 3.18Å; R835-E848 IonicContact NH2-OE2 3.75Å; R835-E848 PolarHBondContact NH2-OE2 3.48Å | ||
| 836 | G | 42.8 | Very low | 41.3 | Very low | 20 Ų | 20 | 108.6 Ų | 108.6 | 21% | 0.206 | 55% | 0.55 | C | S | . | * | S | Bend | trans | -108.3 | -23.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | R677 | R677-G836 PolarHBondContact NH2-O 2.79Š|
| 837 | L | 41.1 | Very low | 40.8 | Very low | 18 Ų | 18 | 108 Ų | 108 | 9% | 0.094 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -116.6 | 115.2 | 174 | -61.1 | 170.6 | 0 | 0 | 0 | 105.8 | L671 V839 | L671-L837 HydrophobicContact CB-CD2 4.11Å; L671-L837 HydrophobicContact CD2-CD2 3.93Å; L671-L837 HydrophobicContact CG-CD2 4.27Å; L837-V839 HydrophobicContact CB-CG2 4.15Å; L837-V839 PolarHBondContact O-N 2.77Å |
| 838 | S | 36.4 | Very low | 40.8 | Very low | 75 Ų | 75 | 104.1 Ų | 104.1 | 52% | 0.524 | 54% | 0.539 | S | S | . | . | trans | -70.6 | 72.2 | 178.7 | 60.1 | 0 | 0 | 0 | 0 | 110.1 | D320 R840 | D320-S838 WeakPolarHBondContact CB-OG 3.26Å; S838-R840 PolarHBondContact O-N 3.04Å | ||
| 839 | V | 38.3 | Very low | 41.2 | Very low | 23 Ų | 23 | 105.6 Ų | 105.6 | 14% | 0.139 | 52% | 0.524 | C | S | . | . | trans | -76 | 116.1 | 170.5 | -175.4 | 0 | 0 | 0 | 0 | 106.5 | E313 L837 R841 | E313-V839 WeakPolarHBondContact OE1-CG1 3.24Å; L837-V839 HydrophobicContact CB-CG2 4.15Å; L837-V839 PolarHBondContact O-N 2.77Å; V839-R841 PolarHBondContact O-N 2.81Å | ||
| 840 | R | 33.4 | Very low | 41.7 | Very low | 221 Ų | 221 | 108.9 Ų | 108.9 | 83% | 0.834 | 54% | 0.537 | S | S | * | . | trans | -62.9 | 97.5 | 179.9 | -96.4 | -173.8 | 171 | -175.5 | -0.9 | 109.7 | S838 | S838-R840 PolarHBondContact O-N 3.04Š| ||
| 841 | R | 33 | Very low | 41.9 | Very low | 188 Ų | 188 | 111.4 Ų | 111.4 | 71% | 0.709 | 55% | 0.546 | S | S | * | . | trans | -100.7 | 104.7 | 150.2 | -76.6 | -169.8 | -172.2 | -176.5 | 3.1 | 108.2 | V839 G843 | V839-R841 PolarHBondContact O-N 2.81Å; R841-G843 VanDerWaalsContact C-N 3.3Å; R841-G843 PolarHBondContact O-N 3.36Å | ||
| 842 | V | 32.3 | Very low | 42.9 | Very low | 147 Ų | 147 | 111.3 Ų | 111.3 | 89% | 0.891 | 55% | 0.549 | S | S | * | . | trans | -72.5 | 90.6 | 168.1 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 843 | G | 32.2 | Very low | 44 | Very low | 54 Ų | 54 | 118.7 Ų | 118.7 | 56% | 0.557 | 57% | 0.569 | S | S | * | * | trans | -145.9 | 114.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | R841 R845 | R841-G843 VanDerWaalsContact C-N 3.3Å; R841-G843 PolarHBondContact O-N 3.36Å; G843-R845 PolarHBondContact O-N 3.29Å | ||
| 844 | R | 37.2 | Very low | 45 | Very low | 259 Ų | 259 | 120.5 Ų | 120.5 | 98% | 0.977 | 58% | 0.577 | S | S | * | * | trans | -57.6 | 108.4 | 174.1 | -79.9 | 179.8 | 172.8 | -179.1 | -2.2 | 108.8 | ||||
| 845 | R | 38.8 | Very low | 46.4 | Very low | 181 Ų | 181 | 120 Ų | 120 | 68% | 0.683 | 58% | 0.583 | S | S | * | * | trans | -117.7 | 144.9 | 165.9 | -74.4 | -170.7 | -178.6 | -171.4 | 2.9 | 109.4 | Q833 G843 | Q833-R845 VanDerWaalsContact OE1-NH1 3.12Å; G843-R845 PolarHBondContact O-N 3.29Å | ||
| 846 | G | 42.1 | Very low | 47.8 | Very low | 74 Ų | 74 | 113.5 Ų | 113.5 | 76% | 0.763 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 153.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 847 | R | 47.8 | Very low | 49.7 | Very low | 118 Ų | 118 | 117.4 Ų | 117.4 | 45% | 0.445 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -66.3 | 127.3 | -176.5 | -67.1 | -178.2 | 178.4 | -176.8 | -3.6 | 111.5 | Y849 D876 D880 | R847-Y849 HydrophobicContact CB-CE2 4.08Å; R847-D876 IonicContact CZ-OD1 3.6Å; R847-D876 IonicContact NE-OD1 2.99Å; R847-D876 IonicContact NH1-OD1 3.49Å; R847-D876 PolarHBondContact NH1-OD1 3.07Å; R847-D880 IonicContact CZ-OD1 3.78Å; R847-D880 IonicContact NH2-OD1 3.67Å; R847-D880 PolarHBondContact NH2-OD1 3.14Å; R847-D880 IonicContact NH2-OD2 2.72Å |
| 848 | E | 46.2 | Very low | 51.3 | Low | 132 Ų | 132 | 124.8 Ų | 124.8 | 62% | 0.617 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 124.6 | 171 | -83.3 | -175.8 | 173.8 | 0 | 0 | 110.3 | R835 | R835-E848 IonicContact CZ-OE2 3.18Å; R835-E848 IonicContact NH2-OE2 3.75Å; R835-E848 PolarHBondContact NH2-OE2 3.48Å |
| 849 | Y | 55.3 | Low | 53.2 | Low | 99 Ų | 99 | 124.8 Ų | 124.8 | 39% | 0.388 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -101.4 | 144.6 | 178 | -60.8 | -79.4 | 0 | 0 | 0 | 111.5 | R847 S851 K872 D876 | R847-Y849 HydrophobicContact CB-CE2 4.08Å; Y849-S851 PolarHBondContact O-N 3.04Å; Y849-K872 HydrophobicContact CD1-CB 4.44Å; Y849-K872 HydrophobicContact CD1-CD 4.18Å; Y849-K872 HydrophobicContact CD1-CG 3.36Å; Y849-K872 HydrophobicContact CE1-CD 4.04Å; Y849-K872 HydrophobicContact CE1-CG 3.38Å; Y849-K872 HydrophobicContact CG-CG 4.14Å; Y849-D876 PolarHBondContact OH-OD1 2.81Å |
| 850 | V | 54 | Low | 54.6 | Low | 106 Ų | 106 | 127.6 Ų | 127.6 | 64% | 0.642 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 121.4 | 173.7 | -180 | 0 | 0 | 0 | 0 | 109.5 | ||
| 851 | S | 57.3 | Low | 56.7 | Low | 101 Ų | 101 | 118 Ų | 118 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 132.1 | 172.7 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | Y849 | Y849-S851 PolarHBondContact O-N 3.04Š|
| 852 | L | 65.4 | Low | 58.9 | Low | 72 Ų | 72 | 113.8 Ų | 113.8 | 38% | 0.377 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 134.6 | 171.6 | -70.7 | 161.6 | 0 | 0 | 0 | 110.3 | F864 L871 | L852-F864 WeakPolarHBondContact CD1-O 3.45Å; L852-L871 HydrophobicContact CD2-CD1 3.81Å; L852-L871 HydrophobicContact CG-CD1 4.34Å |
| 853 | R | 63.3 | Low | 61.2 | Low | 191 Ų | 191 | 111.5 Ų | 111.5 | 72% | 0.721 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 136.7 | 174.7 | -69.8 | -174.5 | 177.4 | -163 | -4.3 | 110 | ||
| 854 | H | 65.3 | Low | 63.3 | Low | 164 Ų | 164 | 113.8 Ų | 113.8 | 76% | 0.759 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -72 | 126.4 | 171.9 | -88.9 | -75.4 | 0 | 0 | 0 | 110.7 | G856 D861 | H854-G856 VanDerWaalsContact C-N 3.35Å; H854-D861 IonicContact CE1-OD2 2.8Å; H854-D861 IonicContact CG-OD2 2.75Å; H854-D861 IonicContact ND1-OD2 3.94Å; H854-D861 PolarHBondContact ND1-OD2 2.89Å |
| 855 | T | 75.3 | Confident | 65.2 | Low | 71 Ų | 71 | 107.9 Ų | 107.9 | 44% | 0.436 | 56% | 0.561 | S | S | . | * | trans | -85.7 | -13 | 176.9 | 67.5 | 0 | 0 | 0 | 0 | 112.1 | I857 L860 D861 | T855-I857 PolarHBondContact O-N 3.46Å; T855-I857 PolarHBondContact OG1-N 3.28Å; T855-L860 HydrophobicContact CG2-CD2 4.29Å; T855-D861 WeakPolarHBondContact CB-OD1 3.44Å; T855-D861 PolarHBondContact N-OD1 2.97Å; T855-D861 PolarHBondContact N-OD2 2.87Å; T855-D861 PolarHBondContact OG1-OD1 2.69Å | ||
| 856 | G | 67.1 | Low | 67.1 | Low | 70 Ų | 70 | 106.9 Ų | 106.9 | 72% | 0.722 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 79.8 | -4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H854 D861 | H854-G856 VanDerWaalsContact C-N 3.35Å; G856-D861 PolarHBondContact N-OD2 3.16Å |
| 857 | I | 82 | Confident | 68.6 | Low | 102 Ų | 102 | 105.1 Ų | 105.1 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | trans | -101.2 | 104.3 | 176.7 | -57.5 | 175.5 | 0 | 0 | 0 | 107.6 | T855 A859 L860 D861 | T855-I857 PolarHBondContact O-N 3.46Å; T855-I857 PolarHBondContact OG1-N 3.28Å; I857-A859 VanDerWaalsContact C-N 3.26Å; I857-A859 PolarHBondContact O-N 2.64Å; I857-A859 VanDerWaalsContact O-N 3.12Å; I857-L860 HydrophobicContact CB-CB 4.07Å; I857-L860 HydrophobicContact CG2-CB 4.11Å; I857-L860 PolarHBondContact O-N 2.68Å; I857-D861 PolarHBondContact O-N 2.78Å | ||
| 858 | K | 74.1 | Confident | 69.8 | Low | 173 Ų | 173 | 100.8 Ų | 100.8 | 75% | 0.752 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -53.7 | -38.6 | -170.7 | -163.1 | 176.8 | -177.2 | -179.7 | 0 | 114.1 | E862 | K858-E862 WeakPolarHBondContact O-CB 3.34Å; K858-E862 WeakPolarHBondContact O-CG 3.3Å; K858-E862 PolarHBondContact O-N 2.84Å; K858-E862 VanDerWaalsContact O-N 3.1Å |
| 859 | A | 76.9 | Confident | 71.2 | Confident | 75 Ų | 75 | 96.4 Ų | 96.4 | 62% | 0.62 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.2 | -37 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I857 V863 | I857-A859 VanDerWaalsContact C-N 3.26Å; I857-A859 PolarHBondContact O-N 2.64Å; I857-A859 VanDerWaalsContact O-N 3.12Å; A859-V863 VanDerWaalsContact O-CG2 3.28Å; A859-V863 WeakPolarHBondContact O-CG2 3.47Å; A859-V863 PolarHBondContact O-N 2.77Å |
| 860 | L | 67.9 | Low | 72.3 | Confident | 81 Ų | 81 | 95.4 Ų | 95.4 | 42% | 0.424 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -75.4 | -42.2 | 179.1 | -138.1 | 80.3 | 0 | 0 | 0 | 110.8 | T855 I857 E862 V863 F864 | T855-L860 HydrophobicContact CG2-CD2 4.29Å; I857-L860 HydrophobicContact CB-CB 4.07Å; I857-L860 HydrophobicContact CG2-CB 4.11Å; I857-L860 PolarHBondContact O-N 2.68Å; L860-E862 PolarHBondContact O-N 3.29Å; L860-V863 PolarHBondContact O-N 3.45Å; L860-F864 HydrophobicContact CD2-CD2 4.44Å; L860-F864 HydrophobicContact CD2-CE2 3.84Å; L860-F864 HydrophobicContact CG-CD2 4.15Å; L860-F864 HydrophobicContact CG-CE2 3.77Å; L860-F864 WeakPolarHBondContact O-CD2 3.16Å; L860-F864 PolarHBondContact O-N 3.31Å |
| 861 | D | 77.8 | Confident | 72.9 | Confident | 21 Ų | 21 | 93.6 Ų | 93.6 | 11% | 0.112 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 178.3 | -74 | -10.1 | 0 | 0 | 0 | 111.8 | H854 T855 G856 I857 F864 K865 | H854-D861 IonicContact CE1-OD2 2.8Å; H854-D861 IonicContact CG-OD2 2.75Å; H854-D861 IonicContact ND1-OD2 3.94Å; H854-D861 PolarHBondContact ND1-OD2 2.89Å; T855-D861 WeakPolarHBondContact CB-OD1 3.44Å; T855-D861 PolarHBondContact N-OD1 2.97Å; T855-D861 PolarHBondContact N-OD2 2.87Å; T855-D861 PolarHBondContact OG1-OD1 2.69Å; G856-D861 PolarHBondContact N-OD2 3.16Å; I857-D861 PolarHBondContact O-N 2.78Å; D861-F864 PolarHBondContact O-N 3.16Å; D861-K865 VanDerWaalsContact O-CB 3.31Å; D861-K865 WeakPolarHBondContact O-CB 3.3Å; D861-K865 PolarHBondContact O-N 2.99Å |
| 862 | E | 79.4 | Confident | 73.5 | Confident | 98 Ų | 98 | 93.7 Ų | 93.7 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -33.8 | 175.2 | -77.8 | -63 | 150.8 | 0 | 0 | 112.8 | K858 L860 K865 | K858-E862 WeakPolarHBondContact O-CB 3.34Å; K858-E862 WeakPolarHBondContact O-CG 3.3Å; K858-E862 PolarHBondContact O-N 2.84Å; K858-E862 VanDerWaalsContact O-N 3.1Å; L860-E862 PolarHBondContact O-N 3.29Å; E862-K865 IonicContact OE1-NZ 2.84Å; E862-K865 PolarHBondContact OE1-NZ 2.8Å; E862-K865 IonicContact OE2-NZ 2.84Å |
| 863 | V | 80.9 | Confident | 73.7 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 61% | 0.606 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67 | -45.8 | 173.3 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | A859 L860 K865 Q866 | A859-V863 VanDerWaalsContact O-CG2 3.28Å; A859-V863 WeakPolarHBondContact O-CG2 3.47Å; A859-V863 PolarHBondContact O-N 2.77Å; L860-V863 PolarHBondContact O-N 3.45Å; V863-K865 VanDerWaalsContact C-N 3.34Å; V863-K865 PolarHBondContact O-N 2.93Å; V863-Q866 PolarHBondContact O-N 3.03Å |
| 864 | F | 74.9 | Confident | 73.9 | Confident | 102 Ų | 102 | 90.1 Ų | 90.1 | 45% | 0.447 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.5 | -27.4 | 179.9 | -76.4 | -63.8 | 0 | 0 | 0 | 113.4 | L852 L860 D861 Q866 A867 | L852-F864 WeakPolarHBondContact CD1-O 3.45Å; L860-F864 HydrophobicContact CD2-CD2 4.44Å; L860-F864 HydrophobicContact CD2-CE2 3.84Å; L860-F864 HydrophobicContact CG-CD2 4.15Å; L860-F864 HydrophobicContact CG-CE2 3.77Å; L860-F864 WeakPolarHBondContact O-CD2 3.16Å; L860-F864 PolarHBondContact O-N 3.31Å; D861-F864 PolarHBondContact O-N 3.16Å; F864-Q866 PolarHBondContact O-N 2.91Å; F864-A867 WeakPolarHBondContact O-CA 3.49Å; F864-A867 VanDerWaalsContact O-CB 3.28Å; F864-A867 WeakPolarHBondContact O-CB 3.41Å; F864-A867 PolarHBondContact O-N 3.44Å |
| 865 | K | 78 | Confident | 73.9 | Confident | 135 Ų | 135 | 83.7 Ų | 83.7 | 59% | 0.587 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -56.7 | -33.9 | 175.7 | -167.5 | 177.7 | -177.8 | -177.2 | 0 | 112.4 | D861 E862 V863 A867 G868 | D861-K865 VanDerWaalsContact O-CB 3.31Å; D861-K865 WeakPolarHBondContact O-CB 3.3Å; D861-K865 PolarHBondContact O-N 2.99Å; E862-K865 IonicContact OE1-NZ 2.84Å; E862-K865 PolarHBondContact OE1-NZ 2.8Å; E862-K865 IonicContact OE2-NZ 2.84Å; V863-K865 VanDerWaalsContact C-N 3.34Å; V863-K865 PolarHBondContact O-N 2.93Å; K865-A867 PolarHBondContact O-N 2.73Å; K865-G868 PolarHBondContact O-N 2.83Å |
| 866 | Q | 78.5 | Confident | 73.4 | Confident | 160 Ų | 160 | 81.7 Ų | 81.7 | 75% | 0.748 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -22.6 | 175.8 | -60.9 | -174.9 | 6.1 | 0 | 0 | 113 | V863 F864 G868 P870 | V863-Q866 PolarHBondContact O-N 3.03Å; F864-Q866 PolarHBondContact O-N 2.91Å; Q866-G868 VanDerWaalsContact C-N 3.31Å; Q866-P870 WeakPolarHBondContact O-CD 3.26Å |
| 867 | A | 73.4 | Confident | 73.2 | Confident | 36 Ų | 36 | 84.2 Ų | 84.2 | 30% | 0.298 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -11.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | F864 K865 G869 P870 L871 | F864-A867 WeakPolarHBondContact O-CA 3.49Å; F864-A867 VanDerWaalsContact O-CB 3.28Å; F864-A867 WeakPolarHBondContact O-CB 3.41Å; F864-A867 PolarHBondContact O-N 3.44Å; K865-A867 PolarHBondContact O-N 2.73Å; A867-G869 PolarHBondContact O-N 3.32Å; A867-P870 WeakPolarHBondContact O-CD 3.48Å; A867-L871 HydrophobicContact CB-CD1 4.25Å; A867-L871 WeakPolarHBondContact O-CB 3.43Å; A867-L871 WeakPolarHBondContact O-CD1 3.46Å; A867-L871 PolarHBondContact O-N 3.48Å |
| 868 | G | 73.6 | Confident | 72.1 | Confident | 28 Ų | 28 | 87.5 Ų | 87.5 | 29% | 0.289 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K865 Q866 K872 | K865-G868 PolarHBondContact O-N 2.83Å; Q866-G868 VanDerWaalsContact C-N 3.31Å; G868-K872 WeakPolarHBondContact O-CB 2.94Å; G868-K872 PolarHBondContact O-N 2.98Å; G868-K872 VanDerWaalsContact O-N 3.13Å |
| 869 | G | 74.3 | Confident | 71.1 | Confident | 40 Ų | 40 | 82.8 Ų | 82.8 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.8 | -56.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A867 L871 K872 E873 | A867-G869 PolarHBondContact O-N 3.32Å; G869-L871 VanDerWaalsContact C-N 3.29Å; G869-L871 PolarHBondContact O-N 3.36Å; G869-K872 VanDerWaalsContact O-CB 3.32Å; G869-K872 WeakPolarHBondContact O-CB 3.34Å; G869-K872 PolarHBondContact O-N 3.08Å; G869-E873 PolarHBondContact O-N 2.86Å |
| 870 | P | 78.2 | Confident | 69.8 | Low | 78 Ų | 78 | 82 Ų | 82 | 51% | 0.506 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.3 | -36.4 | 176.1 | -28.1 | 35 | 0 | 0 | 0 | 114.3 | Q866 A867 K872 E873 A874 | Q866-P870 WeakPolarHBondContact O-CD 3.26Å; A867-P870 WeakPolarHBondContact O-CD 3.48Å; P870-K872 VanDerWaalsContact C-N 3.34Å; P870-E873 PolarHBondContact O-N 3.31Å; P870-A874 VanDerWaalsContact O-CB 3.24Å; P870-A874 WeakPolarHBondContact O-CB 3.5Å; P870-A874 PolarHBondContact O-N 2.85Å |
| 871 | L | 67.8 | Low | 68.7 | Low | 67 Ų | 67 | 80.7 Ų | 80.7 | 35% | 0.351 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65 | -38 | 174.6 | -90.1 | 156.9 | 0 | 0 | 0 | 112.3 | L852 A867 G869 T875 | L852-L871 HydrophobicContact CD2-CD1 3.81Å; L852-L871 HydrophobicContact CG-CD1 4.34Å; A867-L871 HydrophobicContact CB-CD1 4.25Å; A867-L871 WeakPolarHBondContact O-CB 3.43Å; A867-L871 WeakPolarHBondContact O-CD1 3.46Å; A867-L871 PolarHBondContact O-N 3.48Å; G869-L871 VanDerWaalsContact C-N 3.29Å; G869-L871 PolarHBondContact O-N 3.36Å; L871-T875 WeakPolarHBondContact O-CB 3.13Å; L871-T875 PolarHBondContact O-N 2.84Å; L871-T875 PolarHBondContact O-OG1 3.18Å |
| 872 | K | 68.9 | Low | 67 | Low | 103 Ų | 103 | 85.7 Ų | 85.7 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66 | -49.2 | 176.1 | -161.4 | -177.7 | 179.1 | -179.5 | 0 | 110.8 | Y849 G868 G869 P870 A874 T875 D876 | Y849-K872 HydrophobicContact CD1-CB 4.44Å; Y849-K872 HydrophobicContact CD1-CD 4.18Å; Y849-K872 HydrophobicContact CD1-CG 3.36Å; Y849-K872 HydrophobicContact CE1-CD 4.04Å; Y849-K872 HydrophobicContact CE1-CG 3.38Å; Y849-K872 HydrophobicContact CG-CG 4.14Å; G868-K872 WeakPolarHBondContact O-CB 2.94Å; G868-K872 PolarHBondContact O-N 2.98Å; G868-K872 VanDerWaalsContact O-N 3.13Å; G869-K872 VanDerWaalsContact O-CB 3.32Å; G869-K872 WeakPolarHBondContact O-CB 3.34Å; G869-K872 PolarHBondContact O-N 3.08Å; P870-K872 VanDerWaalsContact C-N 3.34Å; K872-A874 PolarHBondContact O-N 3.11Å; K872-T875 WeakPolarHBondContact O-CB 3.14Å; K872-T875 PolarHBondContact O-N 2.99Å; K872-T875 VanDerWaalsContact O-N 3.15Å; K872-D876 PolarHBondContact O-N 3.02Å |
| 873 | E | 71.2 | Confident | 65 | Low | 133 Ų | 133 | 85.4 Ų | 85.4 | 62% | 0.621 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | 177 | -72.4 | 179.1 | 174.7 | 0 | 0 | 112.5 | G869 P870 T875 D876 L877 | G869-E873 PolarHBondContact O-N 2.86Å; P870-E873 PolarHBondContact O-N 3.31Å; E873-T875 VanDerWaalsContact C-N 3.33Å; E873-T875 PolarHBondContact O-N 3.46Å; E873-D876 PolarHBondContact O-N 3.01Å; E873-L877 WeakPolarHBondContact O-CB 3.26Å; E873-L877 VanDerWaalsContact O-CG 3.29Å; E873-L877 WeakPolarHBondContact O-CG 3.02Å; E873-L877 PolarHBondContact O-N 2.96Å |
| 874 | A | 65.9 | Low | 62.8 | Low | 55 Ų | 55 | 90.7 Ų | 90.7 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -35.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P870 K872 R878 | P870-A874 VanDerWaalsContact O-CB 3.24Å; P870-A874 WeakPolarHBondContact O-CB 3.5Å; P870-A874 PolarHBondContact O-N 2.85Å; K872-A874 PolarHBondContact O-N 3.11Å; A874-R878 VanDerWaalsContact O-CB 3.32Å; A874-R878 WeakPolarHBondContact O-CB 3.21Å; A874-R878 PolarHBondContact O-N 3.44Å |
| 875 | T | 65.3 | Low | 61 | Low | 29 Ų | 29 | 96.1 Ų | 96.1 | 18% | 0.178 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -68.1 | -45.1 | 174.8 | -55 | 0 | 0 | 0 | 0 | 110.5 | L871 K872 E873 R878 E879 | L871-T875 WeakPolarHBondContact O-CB 3.13Å; L871-T875 PolarHBondContact O-N 2.84Å; L871-T875 PolarHBondContact O-OG1 3.18Å; K872-T875 WeakPolarHBondContact O-CB 3.14Å; K872-T875 PolarHBondContact O-N 2.99Å; K872-T875 VanDerWaalsContact O-N 3.15Å; E873-T875 VanDerWaalsContact C-N 3.33Å; E873-T875 PolarHBondContact O-N 3.46Å; T875-R878 PolarHBondContact O-N 3.28Å; T875-E879 PolarHBondContact O-N 3.42Å |
| 876 | D | 65.5 | Low | 59 | Low | 30 Ų | 30 | 92.5 Ų | 92.5 | 16% | 0.16 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.4 | -75.9 | -40.8 | 0 | 0 | 0 | 111.6 | R847 Y849 K872 E873 R878 E879 D880 | R847-D876 IonicContact CZ-OD1 3.6Å; R847-D876 IonicContact NE-OD1 2.99Å; R847-D876 IonicContact NH1-OD1 3.49Å; R847-D876 PolarHBondContact NH1-OD1 3.07Å; Y849-D876 PolarHBondContact OH-OD1 2.81Å; K872-D876 PolarHBondContact O-N 3.02Å; E873-D876 PolarHBondContact O-N 3.01Å; D876-R878 VanDerWaalsContact C-N 3.34Å; D876-R878 PolarHBondContact O-N 3.48Å; D876-E879 PolarHBondContact O-N 2.7Å; D876-D880 VanDerWaalsContact O-CB 3.24Å; D876-D880 WeakPolarHBondContact O-CB 3.31Å; D876-D880 VanDerWaalsContact O-CG 3.31Å; D876-D880 PolarHBondContact O-N 3.27Å |
| 877 | L | 63.6 | Low | 56.6 | Low | 123 Ų | 123 | 90.3 Ų | 90.3 | 64% | 0.644 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.5 | -37.6 | 176.6 | -78.5 | 165.2 | 0 | 0 | 0 | 112.7 | E873 A881 | E873-L877 WeakPolarHBondContact O-CB 3.26Å; E873-L877 VanDerWaalsContact O-CG 3.29Å; E873-L877 WeakPolarHBondContact O-CG 3.02Å; E873-L877 PolarHBondContact O-N 2.96Å; L877-A881 WeakPolarHBondContact O-CB 3.46Å; L877-A881 PolarHBondContact O-N 2.93Å |
| 878 | R | 58.7 | Low | 54.5 | Low | 171 Ų | 171 | 91.8 Ų | 91.8 | 65% | 0.645 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.9 | -43.9 | 177.6 | -175.8 | -179.8 | 179.5 | -179.2 | 1.1 | 111.5 | A874 T875 D876 Q882 | A874-R878 VanDerWaalsContact O-CB 3.32Å; A874-R878 WeakPolarHBondContact O-CB 3.21Å; A874-R878 PolarHBondContact O-N 3.44Å; T875-R878 PolarHBondContact O-N 3.28Å; D876-R878 VanDerWaalsContact C-N 3.34Å; D876-R878 PolarHBondContact O-N 3.48Å; R878-Q882 WeakPolarHBondContact O-CG 3.13Å; R878-Q882 PolarHBondContact O-N 2.89Å |
| 879 | E | 51.7 | Low | 52.7 | Low | 73 Ų | 73 | 94.2 Ų | 94.2 | 34% | 0.341 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72 | -41.9 | 177.7 | -71.7 | -164.4 | 166.8 | 0 | 0 | 111.8 | T875 D876 A881 Q882 V883 | T875-E879 PolarHBondContact O-N 3.42Å; D876-E879 PolarHBondContact O-N 2.7Å; E879-A881 VanDerWaalsContact C-N 3.31Å; E879-A881 PolarHBondContact O-N 3.36Å; E879-Q882 CarbonylContact O-C 3.59Å; E879-Q882 WeakPolarHBondContact O-CA 3.04Å; E879-Q882 WeakPolarHBondContact O-CB 3.01Å; E879-Q882 PolarHBondContact O-N 2.9Å; E879-V883 WeakPolarHBondContact O-CG2 3.24Å; E879-V883 PolarHBondContact O-N 3.43Å |
| 880 | D | 50.1 | Low | 50.4 | Low | 59 Ų | 59 | 98.3 Ų | 98.3 | 32% | 0.316 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.4 | -31.3 | 177.5 | -73.8 | -18.5 | 0 | 0 | 0 | 112 | R847 D876 Q882 V883 R884 | R847-D880 IonicContact CZ-OD1 3.78Å; R847-D880 IonicContact NH2-OD1 3.67Å; R847-D880 PolarHBondContact NH2-OD1 3.14Å; R847-D880 IonicContact NH2-OD2 2.72Å; D876-D880 VanDerWaalsContact O-CB 3.24Å; D876-D880 WeakPolarHBondContact O-CB 3.31Å; D876-D880 VanDerWaalsContact O-CG 3.31Å; D876-D880 PolarHBondContact O-N 3.27Å; D880-Q882 VanDerWaalsContact C-N 3.34Å; D880-V883 PolarHBondContact O-N 3.27Å; D880-R884 WeakPolarHBondContact O-CB 3.19Å; D880-R884 WeakPolarHBondContact O-CG 3.09Å; D880-R884 PolarHBondContact O-N 3.5Å |
| 881 | A | 45.8 | Very low | 48.3 | Very low | 53 Ų | 53 | 100 Ų | 100 | 44% | 0.438 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.9 | -30.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L877 E879 R885 | L877-A881 WeakPolarHBondContact O-CB 3.46Å; L877-A881 PolarHBondContact O-N 2.93Å; E879-A881 VanDerWaalsContact C-N 3.31Å; E879-A881 PolarHBondContact O-N 3.36Å; A881-R885 WeakPolarHBondContact O-CG 3.34Å |
| 882 | Q | 40.6 | Very low | 46.2 | Very low | 126 Ų | 126 | 103.3 Ų | 103.3 | 59% | 0.589 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -75.8 | -37.7 | 172.9 | -75.5 | 176.5 | -18.5 | 0 | 0 | 111.7 | R878 E879 D880 | R878-Q882 WeakPolarHBondContact O-CG 3.13Å; R878-Q882 PolarHBondContact O-N 2.89Å; E879-Q882 CarbonylContact O-C 3.59Å; E879-Q882 WeakPolarHBondContact O-CA 3.04Å; E879-Q882 WeakPolarHBondContact O-CB 3.01Å; E879-Q882 PolarHBondContact O-N 2.9Å; D880-Q882 VanDerWaalsContact C-N 3.34Å |
| 883 | V | 38.3 | Very low | 44.6 | Very low | 93 Ų | 93 | 104 Ų | 104 | 56% | 0.564 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.5 | -41.4 | 177.7 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | E879 D880 R885 G886 | E879-V883 WeakPolarHBondContact O-CG2 3.24Å; E879-V883 PolarHBondContact O-N 3.43Å; D880-V883 PolarHBondContact O-N 3.27Å; V883-R885 PolarHBondContact O-N 3.14Å; V883-G886 PolarHBondContact O-N 3.12Å |
| 884 | R | 34.3 | Very low | 42.4 | Very low | 210 Ų | 210 | 105.1 Ų | 105.1 | 79% | 0.792 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.9 | -18.6 | 177.6 | -77.8 | -178.4 | -178.4 | 176.3 | 2.4 | 114.2 | D880 G886 | D880-R884 WeakPolarHBondContact O-CB 3.19Å; D880-R884 WeakPolarHBondContact O-CG 3.09Å; D880-R884 PolarHBondContact O-N 3.5Å; R884-G886 VanDerWaalsContact C-N 3.34Å |
| 885 | R | 38.4 | Very low | 40.6 | Very low | 216 Ų | 216 | 109.8 Ų | 109.8 | 82% | 0.815 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -8.8 | 171.8 | -75.7 | -177.6 | 176.5 | -171.8 | 0.2 | 113.8 | A881 V883 | A881-R885 WeakPolarHBondContact O-CG 3.34Å; V883-R885 PolarHBondContact O-N 3.14Å |
| 886 | G | 34.4 | Very low | 38.9 | Very low | 59 Ų | 59 | 117.8 Ų | 117.8 | 61% | 0.608 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -101.2 | -5.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V883 R884 | V883-G886 PolarHBondContact O-N 3.12Å; R884-G886 VanDerWaalsContact C-N 3.34Å |
| 887 | V | 28.1 | Very low | 37.6 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 70% | 0.697 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -117.9 | 126.8 | 177.6 | -174 | 0 | 0 | 0 | 0 | 108.4 | ||
| 888 | G | 29.1 | Very low | 36.2 | Very low | 66 Ų | 66 | 122.2 Ų | 122.2 | 68% | 0.68 | 70% | 0.699 | S | S | * | * | trans | -53.7 | 162.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 889 | G | 37.5 | Very low | 35 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | trans | -50.4 | 135.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 890 | V | 25.4 | Very low | 34 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | -135.1 | 119.9 | 151.8 | 179.6 | 0 | 0 | 0 | 0 | 106.5 | I892 | V890-I892 PolarHBondContact O-N 3.2Š| ||
| 891 | S | 33.5 | Very low | 33 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | trans | -54.3 | 121.4 | 168.5 | -134 | 0 | 0 | 0 | 0 | 109 | ||||
| 892 | I | 24.9 | Very low | 32.1 | Very low | 137 Ų | 137 | 131 Ų | 131 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | trans | -116.2 | 96.2 | 162.7 | -61.1 | 179.6 | 0 | 0 | 0 | 106.6 | V890 L894 | V890-I892 PolarHBondContact O-N 3.2Å; I892-L894 HydrophobicContact CG2-CD1 4Å; I892-L894 HydrophobicContact CG2-CG 3.95Å; I892-L894 PolarHBondContact O-N 3.44Å | ||
| 893 | T | 34 | Very low | 31.5 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | trans | -62.7 | 118.4 | 158.2 | -38.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 894 | L | 25.8 | Very low | 31 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -119.2 | 108.3 | 159.9 | -86.1 | 163.6 | 0 | 0 | 0 | 107.8 | I892 | I892-L894 HydrophobicContact CG2-CD1 4Å; I892-L894 HydrophobicContact CG2-CG 3.95Å; I892-L894 PolarHBondContact O-N 3.44Å | ||
| 895 | L | 27.8 | Very low | 30.7 | Very low | 152 Ų | 152 | 128 Ų | 128 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | -63.2 | 156.2 | 162.6 | -79.9 | 152.7 | 0 | 0 | 0 | 110.2 | ||||
| 896 | S | 29.8 | Very low | 30 | Very low | 198 Ų | 198 | 120 Ų | 120 | 100% | 1.385 | 80% | 0.799 | S | S | * | * | trans | 73.1 | 0 | 176.2 | 74 | 0 | 0 | 0 | 0 | 117.2 |
Retrieved 896 of 896 residues in 397.4 ms
(Link to these results)