| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.3 | Very low | 64.9 | Low | 215 Ų | 215 | 98.4 Ų | 98.4 | 100% | 1.059 | 50% | 0.5 | S | S | * | . | 0 | -24.6 | 0 | -80.7 | 169.6 | 169.3 | 0 | 0 | 114.5 | S3 R4 | M1-S3 PolarHBondContact O-N 2.99Å; M1-R4 PolarHBondContact O-N 3.36Å | |||
| 2 | R | 43.4 | Very low | 67 | Low | 63 Ų | 63 | 95.3 Ų | 95.3 | 24% | 0.238 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -38.5 | -40.2 | -178.9 | -76 | -171.8 | 178 | -165.2 | 1.7 | 117.1 | R4 S5 N6 N64 D66 D70 | R2-R4 PolarHBondContact O-N 3.1Å; R2-S5 PolarHBondContact O-N 3.35Å; R2-S5 PolarHBondContact O-OG 3.48Å; R2-N6 PolarHBondContact O-N 2.66Å; R2-N64 PolarHBondContact NH2-O 3.34Å; R2-D66 VanDerWaalsContact CD-OD2 3.24Å; R2-D66 WeakPolarHBondContact CD-OD2 3.5Å; R2-D66 WeakPolarHBondContact CG-OD2 3.11Å; R2-D66 IonicContact CZ-OD2 3.21Å; R2-D66 IonicContact NE-OD2 3.42Å; R2-D66 PolarHBondContact NE-OD2 3.12Å; R2-D66 IonicContact NH2-OD2 2.62Å; R2-D70 IonicContact CZ-OD2 3.84Å; R2-D70 IonicContact NH1-OD2 2.8Å; R2-D70 PolarHBondContact NH1-OD2 3.44Å; R2-D70 IonicContact NH2-OD2 2.63Å; R2-D70 PolarHBondContact NH2-OD2 2.89Å |
| 3 | S | 42.6 | Very low | 68.9 | Low | 119 Ų | 119 | 89.9 Ų | 89.9 | 83% | 0.832 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -66.5 | -3.3 | -179.7 | 53.9 | 0 | 0 | 0 | 0 | 115.4 | M1 | M1-S3 PolarHBondContact O-N 2.99Š|
| 4 | R | 45.8 | Very low | 70.8 | Confident | 243 Ų | 243 | 85.4 Ų | 85.4 | 92% | 0.917 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -110.6 | -1.6 | 171 | -70.3 | -174.3 | 174 | 179 | -2.3 | 114.1 | M1 R2 | M1-R4 PolarHBondContact O-N 3.36Å; R2-R4 PolarHBondContact O-N 3.1Å |
| 5 | S | 56.8 | Low | 72.4 | Confident | 66 Ų | 66 | 81.5 Ų | 81.5 | 46% | 0.462 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | -8.6 | -170.2 | 61.8 | 0 | 0 | 0 | 0 | 116 | R2 S7 | R2-S5 PolarHBondContact O-N 3.35Å; R2-S5 PolarHBondContact O-OG 3.48Å; S5-S7 PolarHBondContact O-N 3.38Å; S5-S7 PolarHBondContact OG-OG 3.42Å |
| 6 | N | 68.7 | Low | 73.7 | Confident | 114 Ų | 114 | 85.8 Ų | 85.8 | 61% | 0.61 | 44% | 0.437 | S | S | * | . | trans | 53.7 | 12.4 | -176.5 | -74 | -10.2 | 0 | 0 | 0 | 115.8 | R2 G8 V9 R10 | R2-N6 PolarHBondContact O-N 2.66Å; N6-G8 PolarHBondContact O-N 3.38Å; N6-V9 WeakPolarHBondContact O-CB 3.35Å; N6-V9 PolarHBondContact O-N 3.4Å; N6-R10 PolarHBondContact O-N 3.04Å | ||
| 7 | S | 74.5 | Confident | 74.9 | Confident | 23 Ų | 23 | 81.9 Ų | 81.9 | 16% | 0.161 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.9 | -41.3 | -169.4 | 50 | 0 | 0 | 0 | 0 | 113.7 | S5 V9 R10 L11 | S5-S7 PolarHBondContact O-N 3.38Å; S5-S7 PolarHBondContact OG-OG 3.42Å; S7-V9 VanDerWaalsContact C-N 3.32Å; S7-V9 PolarHBondContact O-N 3.35Å; S7-R10 PolarHBondContact O-N 2.95Å; S7-L11 PolarHBondContact O-N 3.49Å; S7-L11 VanDerWaalsContact O-N 3.07Å |
| 8 | G | 78.6 | Confident | 76.1 | Confident | 15 Ų | 15 | 77.3 Ų | 77.3 | 16% | 0.155 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.2 | -37 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N6 R10 L11 D12 | N6-G8 PolarHBondContact O-N 3.38Å; G8-R10 VanDerWaalsContact C-N 3.32Å; G8-R10 PolarHBondContact O-N 3.09Å; G8-L11 PolarHBondContact O-N 3.27Å; G8-D12 WeakPolarHBondContact O-CB 3.49Å; G8-D12 PolarHBondContact O-N 3.01Å |
| 9 | V | 83.7 | Confident | 77.1 | Confident | 98 Ų | 98 | 79.5 Ų | 79.5 | 59% | 0.594 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -69.5 | -31.4 | 179.4 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | N6 S7 G13 | N6-V9 WeakPolarHBondContact O-CB 3.35Å; N6-V9 PolarHBondContact O-N 3.4Å; S7-V9 VanDerWaalsContact C-N 3.32Å; S7-V9 PolarHBondContact O-N 3.35Å; V9-G13 PolarHBondContact O-N 2.54Å |
| 10 | R | 87.6 | Confident | 77.9 | Confident | 125 Ų | 125 | 80.7 Ų | 80.7 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.1 | -45.1 | 171.9 | -64.6 | 177.3 | 86.7 | 136.4 | 14.1 | 111.2 | N6 S7 G8 D12 G13 Y14 E415 F417 | N6-R10 PolarHBondContact O-N 3.04Å; S7-R10 PolarHBondContact O-N 2.95Å; G8-R10 VanDerWaalsContact C-N 3.32Å; G8-R10 PolarHBondContact O-N 3.09Å; R10-D12 PolarHBondContact O-N 2.77Å; R10-G13 CarbonylContact O-C 3.57Å; R10-G13 WeakPolarHBondContact O-CA 3.25Å; R10-G13 PolarHBondContact O-N 2.84Å; R10-Y14 VanDerWaalsContact O-CD2 3.25Å; R10-Y14 WeakPolarHBondContact O-CD2 3.42Å; R10-Y14 PolarHBondContact O-N 2.69Å; R10-E415 IonicContact CZ-OE1 3.75Å; R10-E415 IonicContact CZ-OE2 3.96Å; R10-E415 IonicContact NE-OE1 2.71Å; R10-E415 IonicContact NE-OE2 3.82Å; R10-E415 PolarHBondContact NE-OE2 2.59Å; R10-E415 IonicContact NH2-OE1 3.13Å; R10-E415 PolarHBondContact NH2-OE1 2.67Å; R10-E415 IonicContact NH2-OE2 2.7Å; R10-E415 PolarHBondContact NH2-OE2 2.99Å; R10-F417 HydrophobicContact CB-CE2 4.24Å; R10-F417 HydrophobicContact CB-CZ 3.77Å |
| 11 | L | 90.1 | Very high | 78.6 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 175.2 | -70.9 | 172.9 | 0 | 0 | 0 | 112.5 | S7 G8 G13 Y14 A15 L57 A60 Y61 N64 L412 F417 | S7-L11 PolarHBondContact O-N 3.49Å; S7-L11 VanDerWaalsContact O-N 3.07Å; G8-L11 PolarHBondContact O-N 3.27Å; L11-G13 PolarHBondContact O-N 2.87Å; L11-Y14 PolarHBondContact O-N 3.31Å; L11-A15 WeakPolarHBondContact O-CB 3.42Å; L11-A15 PolarHBondContact O-N 2.72Å; L11-L57 HydrophobicContact CD2-CD1 4.12Å; L11-A60 HydrophobicContact CD2-CB 3.97Å; L11-Y61 HydrophobicContact CB-CE1 4.08Å; L11-Y61 HydrophobicContact CB-CE2 4.42Å; L11-Y61 PolarHBondContact O-OH 3.45Å; L11-Y61 VanDerWaalsContact O-OH 3.06Å; L11-N64 HydrophobicContact CD1-CB 4.28Å; L11-L412 HydrophobicContact CD2-CD2 4.16Å; L11-F417 HydrophobicContact CD1-CD1 4.04Å; L11-F417 HydrophobicContact CD1-CE1 3.99Å; L11-F417 HydrophobicContact CD2-CD1 3.64Å; L11-F417 HydrophobicContact CD2-CE1 3.89Å; L11-F417 HydrophobicContact CD2-CG 4Å; L11-F417 HydrophobicContact CD2-CZ 4.46Å; L11-F417 HydrophobicContact CG-CD1 3.84Å; L11-F417 HydrophobicContact CG-CE1 3.62Å; L11-F417 HydrophobicContact CG-CZ 4.26Å |
| 12 | D | 90 | Very high | 81.2 | Confident | 62 Ų | 62 | 66.7 Ų | 66.7 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.6 | -18.2 | 171.4 | -74.3 | -34.4 | 0 | 0 | 0 | 112.3 | G8 R10 R16 Y61 K73 | G8-D12 WeakPolarHBondContact O-CB 3.49Å; G8-D12 PolarHBondContact O-N 3.01Å; R10-D12 PolarHBondContact O-N 2.77Å; D12-R16 WeakPolarHBondContact O-CG 3.19Å; D12-R16 PolarHBondContact O-N 2.95Å; D12-R16 PolarHBondContact O-NE 2.92Å; D12-Y61 PolarHBondContact N-OH 3.45Å; D12-Y61 PolarHBondContact OD1-OH 2.64Å; D12-K73 IonicContact OD1-NZ 2.99Å; D12-K73 PolarHBondContact OD1-NZ 3.38Å; D12-K73 IonicContact OD2-NZ 3.51Å |
| 13 | G | 92.3 | Very high | 83.6 | Confident | 25 Ų | 25 | 65.2 Ų | 65.2 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.7 | -54.7 | 165 | 0 | 0 | 0 | 0 | 0 | 112 | V9 R10 L11 A15 R16 L17 | V9-G13 PolarHBondContact O-N 2.54Å; R10-G13 CarbonylContact O-C 3.57Å; R10-G13 WeakPolarHBondContact O-CA 3.25Å; R10-G13 PolarHBondContact O-N 2.84Å; L11-G13 PolarHBondContact O-N 2.87Å; G13-A15 VanDerWaalsContact C-N 3.33Å; G13-A15 PolarHBondContact O-N 3.49Å; G13-R16 PolarHBondContact O-N 3.31Å; G13-L17 PolarHBondContact O-N 3.49Å |
| 14 | Y | 95 | Very high | 86.1 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 11% | 0.106 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 177.4 | -70.7 | -66.1 | 0 | 0 | 0 | 112.8 | R10 L11 R16 L17 V18 I408 N411 L412 E415 F417 | R10-Y14 VanDerWaalsContact O-CD2 3.25Å; R10-Y14 WeakPolarHBondContact O-CD2 3.42Å; R10-Y14 PolarHBondContact O-N 2.69Å; L11-Y14 PolarHBondContact O-N 3.31Å; Y14-R16 PolarHBondContact O-N 3.43Å; Y14-L17 HydrophobicContact CD1-CD2 4.4Å; Y14-L17 PolarHBondContact O-N 3.13Å; Y14-V18 WeakPolarHBondContact O-CB 3.38Å; Y14-V18 WeakPolarHBondContact O-CG2 3.34Å; Y14-V18 PolarHBondContact O-N 2.75Å; Y14-I408 HydrophobicContact CD1-CG2 4.13Å; Y14-N411 HydrophobicContact CE1-CB 4.09Å; Y14-L412 HydrophobicContact CD1-CD2 4.41Å; Y14-L412 HydrophobicContact CD1-CG 4.49Å; Y14-L412 HydrophobicContact CD2-CD2 3.5Å; Y14-L412 HydrophobicContact CD2-CG 4.37Å; Y14-L412 HydrophobicContact CE2-CD2 3.91Å; Y14-L412 HydrophobicContact CG-CD2 3.8Å; Y14-L412 HydrophobicContact CG-CG 4.33Å; Y14-E415 PolarHBondContact OH-OE1 2.94Å; Y14-E415 PolarHBondContact OH-OE2 2.75Å; Y14-F417 HydrophobicContact CE2-CE2 4.32Å |
| 15 | A | 94.4 | Very high | 88.3 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 22% | 0.223 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L11 G13 H19 L57 Y61 | L11-A15 WeakPolarHBondContact O-CB 3.42Å; L11-A15 PolarHBondContact O-N 2.72Å; G13-A15 VanDerWaalsContact C-N 3.33Å; G13-A15 PolarHBondContact O-N 3.49Å; A15-H19 VanDerWaalsContact O-CB 3.23Å; A15-H19 WeakPolarHBondContact O-CB 3.43Å; A15-H19 PolarHBondContact O-N 2.63Å; A15-L57 HydrophobicContact CB-CD2 4.06Å; A15-Y61 HydrophobicContact CB-CE2 4.19Å |
| 16 | R | 93.8 | Very high | 90.2 | Very high | 149 Ų | 149 | 52.4 Ų | 52.4 | 56% | 0.562 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.1 | -39.4 | 173.8 | -75.7 | 176.9 | -68.4 | 152.8 | 0.6 | 112 | D12 G13 Y14 Q20 | D12-R16 WeakPolarHBondContact O-CG 3.19Å; D12-R16 PolarHBondContact O-N 2.95Å; D12-R16 PolarHBondContact O-NE 2.92Å; G13-R16 PolarHBondContact O-N 3.31Å; Y14-R16 PolarHBondContact O-N 3.43Å; R16-Q20 VanDerWaalsContact O-CB 3.25Å; R16-Q20 WeakPolarHBondContact O-CB 3.48Å; R16-Q20 WeakPolarHBondContact O-CG 3.06Å; R16-Q20 PolarHBondContact O-N 3.47Å |
| 17 | L | 94.3 | Very high | 91.5 | Very high | 20 Ų | 20 | 47.9 Ų | 47.9 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -56 | 176.5 | -178.2 | 59.2 | 0 | 0 | 0 | 111.1 | G13 Y14 H19 Q20 T21 V366 P367 I408 | G13-L17 PolarHBondContact O-N 3.49Å; Y14-L17 HydrophobicContact CD1-CD2 4.4Å; Y14-L17 PolarHBondContact O-N 3.13Å; L17-H19 VanDerWaalsContact C-N 3.29Å; L17-H19 PolarHBondContact O-N 3.48Å; L17-Q20 CarbonylContact O-C 3.6Å; L17-Q20 PolarHBondContact O-N 2.89Å; L17-T21 HydrophobicContact CD1-CG2 3.93Å; L17-T21 PolarHBondContact O-N 3.02Å; L17-T21 PolarHBondContact O-OG1 3.44Å; L17-T21 VanDerWaalsContact O-OG1 3.07Å; L17-V366 HydrophobicContact CD1-CG1 3.58Å; L17-P367 HydrophobicContact CD1-CG 4.29Å; L17-P367 HydrophobicContact CD2-CG 4.47Å; L17-I408 HydrophobicContact CD2-CD1 3.99Å; L17-I408 HydrophobicContact CD2-CG1 3.76Å; L17-I408 HydrophobicContact CG-CD1 3.88Å; L17-I408 HydrophobicContact CG-CG1 4.23Å |
| 18 | V | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56 | -41.2 | 177 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | Y14 I22 L23 A53 V54 L57 I408 | Y14-V18 WeakPolarHBondContact O-CB 3.38Å; Y14-V18 WeakPolarHBondContact O-CG2 3.34Å; Y14-V18 PolarHBondContact O-N 2.75Å; V18-I22 WeakPolarHBondContact O-CA 3.41Å; V18-I22 WeakPolarHBondContact O-CB 3.49Å; V18-I22 PolarHBondContact O-N 3.32Å; V18-L23 HydrophobicContact CG1-CD1 3.9Å; V18-L23 HydrophobicContact CG1-CG 4.03Å; V18-L23 PolarHBondContact O-N 3.34Å; V18-A53 HydrophobicContact CG2-CB 4.33Å; V18-V54 HydrophobicContact CG1-CG2 3.75Å; V18-L57 HydrophobicContact CB-CD2 4.2Å; V18-L57 HydrophobicContact CG2-CD2 4.02Å; V18-I408 HydrophobicContact CG2-CD1 3.92Å; V18-I408 HydrophobicContact CG2-CG2 3.9Å |
| 19 | H | 95 | Very high | 93.1 | Very high | 119 Ų | 119 | 56.9 Ų | 56.9 | 55% | 0.551 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -68.8 | -32.9 | 176 | -167.7 | -44.4 | 0 | 0 | 0 | 112.7 | A15 L17 C24 | A15-H19 VanDerWaalsContact O-CB 3.23Å; A15-H19 WeakPolarHBondContact O-CB 3.43Å; A15-H19 PolarHBondContact O-N 2.63Å; L17-H19 VanDerWaalsContact C-N 3.29Å; L17-H19 PolarHBondContact O-N 3.48Å; H19-C24 VanDerWaalsContact O-CB 3.23Å; H19-C24 WeakPolarHBondContact O-CB 3.43Å; H19-C24 PolarHBondContact O-N 3.18Å; H19-C24 PolarHBondContact O-SG 3.1Å; H19-C24 VanDerWaalsContact O-SG 3.39Å |
| 20 | Q | 93.4 | Very high | 93.7 | Very high | 102 Ų | 102 | 53 Ų | 53 | 48% | 0.477 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -86.3 | -16.8 | -178.5 | -73.1 | 174.8 | 4.7 | 0 | 0 | 114.4 | R16 L17 C24 | R16-Q20 VanDerWaalsContact O-CB 3.25Å; R16-Q20 WeakPolarHBondContact O-CB 3.48Å; R16-Q20 WeakPolarHBondContact O-CG 3.06Å; R16-Q20 PolarHBondContact O-N 3.47Å; L17-Q20 CarbonylContact O-C 3.6Å; L17-Q20 PolarHBondContact O-N 2.89Å; Q20-C24 VanDerWaalsContact C-SG 3.56Å; Q20-C24 PolarHBondContact O-SG 3.07Å |
| 21 | T | 93.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -120.4 | -16.2 | -177.5 | 65.8 | 0 | 0 | 0 | 0 | 115.2 | L17 V366 L368 | L17-T21 HydrophobicContact CD1-CG2 3.93Å; L17-T21 PolarHBondContact O-N 3.02Å; L17-T21 PolarHBondContact O-OG1 3.44Å; L17-T21 VanDerWaalsContact O-OG1 3.07Å; T21-V366 HydrophobicContact CG2-CG1 3.97Å; T21-L368 HydrophobicContact CG2-CD2 3.6Å |
| 22 | I | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130 | -66 | -176.4 | -60.1 | 167.2 | 0 | 0 | 0 | 110.8 | V18 C24 H25 L33 A53 V54 I408 | V18-I22 WeakPolarHBondContact O-CA 3.41Å; V18-I22 WeakPolarHBondContact O-CB 3.49Å; V18-I22 PolarHBondContact O-N 3.32Å; I22-C24 VanDerWaalsContact C-N 3.26Å; I22-C24 PolarHBondContact O-N 3.15Å; I22-H25 PolarHBondContact O-N 3.14Å; I22-L33 HydrophobicContact CG2-CD1 3.92Å; I22-L33 HydrophobicContact CG2-CD2 4.25Å; I22-L33 WeakPolarHBondContact O-CD2 3.48Å; I22-A53 HydrophobicContact CD1-CB 4.01Å; I22-V54 HydrophobicContact CG2-CG2 4.23Å; I22-I408 HydrophobicContact CD1-CD1 4.24Å |
| 23 | L | 95.8 | Very high | 94.8 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -66.9 | -23.8 | -170.3 | -65.7 | 172.1 | 0 | 0 | 0 | 113.8 | V18 H25 Q26 V54 L77 | V18-L23 HydrophobicContact CG1-CD1 3.9Å; V18-L23 HydrophobicContact CG1-CG 4.03Å; V18-L23 PolarHBondContact O-N 3.34Å; L23-H25 PolarHBondContact O-N 3.04Å; L23-H25 VanDerWaalsContact O-N 3.15Å; L23-Q26 WeakPolarHBondContact O-CB 3.06Å; L23-Q26 PolarHBondContact O-N 3.36Å; L23-V54 HydrophobicContact CD1-CG1 4.3Å; L23-V54 HydrophobicContact CD1-CG2 4.47Å; L23-V54 HydrophobicContact CD2-CG1 4.08Å; L23-V54 HydrophobicContact CD2-CG2 3.83Å; L23-V54 HydrophobicContact CG-CG2 4.08Å; L23-L77 HydrophobicContact CD1-CD2 3.88Å |
| 24 | C | 93.2 | Very high | 94.9 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 44% | 0.439 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -60.3 | -18 | 170.3 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | H19 Q20 I22 | H19-C24 VanDerWaalsContact O-CB 3.23Å; H19-C24 WeakPolarHBondContact O-CB 3.43Å; H19-C24 PolarHBondContact O-N 3.18Å; H19-C24 PolarHBondContact O-SG 3.1Å; H19-C24 VanDerWaalsContact O-SG 3.39Å; Q20-C24 VanDerWaalsContact C-SG 3.56Å; Q20-C24 PolarHBondContact O-SG 3.07Å; I22-C24 VanDerWaalsContact C-N 3.26Å; I22-C24 PolarHBondContact O-N 3.15Å |
| 25 | H | 93.8 | Very high | 94.3 | Very high | 64 Ų | 64 | 42.7 Ų | 42.7 | 30% | 0.296 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -100.7 | -6.8 | 176.1 | -59.5 | -63 | 0 | 0 | 0 | 113.1 | I22 L23 L33 P34 M401 | I22-H25 PolarHBondContact O-N 3.14Å; L23-H25 PolarHBondContact O-N 3.04Å; L23-H25 VanDerWaalsContact O-N 3.15Å; H25-L33 HydrophobicContact CB-CD2 4.08Å; H25-P34 HydrophobicContact CB-CG 4.21Å; H25-P34 VanDerWaalsContact O-CD 3.24Å; H25-P34 WeakPolarHBondContact O-CD 3.39Å; H25-M401 HydrophobicContact CB-SD 4.33Å |
| 26 | Q | 96 | Very high | 93.8 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -71.4 | 132.6 | -175.9 | -161.3 | -177.1 | 21.8 | 0 | 0 | 111.5 | L23 G31 L33 S80 | L23-Q26 WeakPolarHBondContact O-CB 3.06Å; L23-Q26 PolarHBondContact O-N 3.36Å; Q26-G31 WeakPolarHBondContact CG-O 3.48Å; Q26-G31 PolarHBondContact NE2-O 3.46Å; Q26-L33 HydrophobicContact CB-CD2 3.96Å; Q26-L33 HydrophobicContact CG-CD2 4.38Å; Q26-S80 PolarHBondContact NE2-O 3.18Å |
| 27 | N | 95.9 | Very high | 93 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | trans | -68.8 | 124.8 | 179.4 | -171.5 | -65.1 | 0 | 0 | 0 | 111.6 | V29 T30 G31 L32 T118 | N27-V29 PolarHBondContact O-N 2.89Å; N27-V29 VanDerWaalsContact O-N 3.13Å; N27-V29 WeakPolarHBondContact OD1-CA 3.47Å; N27-V29 WeakPolarHBondContact OD1-CB 3.4Å; N27-V29 PolarHBondContact OD1-N 3.1Å; N27-T30 WeakPolarHBondContact CB-OG1 3.32Å; N27-T30 PolarHBondContact OD1-N 3.29Å; N27-T30 PolarHBondContact OD1-OG1 2.96Å; N27-G31 WeakPolarHBondContact O-CA 3.45Å; N27-G31 PolarHBondContact O-N 3.17Å; N27-L32 VanDerWaalsContact CB-O 3.26Å; N27-L32 WeakPolarHBondContact CB-O 3.27Å; N27-L32 PolarHBondContact N-O 3.22Å; N27-T118 HydrophobicContact CB-CG2 4.1Å; N27-T118 PolarHBondContact ND2-O 3.5Å; N27-T118 VanDerWaalsContact ND2-O 3.07Å | ||
| 28 | P | 93.8 | Very high | 92.2 | Very high | 109 Ų | 109 | 48.2 Ų | 48.2 | 71% | 0.708 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -6.9 | -175.7 | 29.8 | -36.5 | 0 | 0 | 0 | 114.3 | K83 | P28-K83 PolarHBondContact O-NZ 2.93Š|
| 29 | V | 93.8 | Very high | 91.4 | Very high | 118 Ų | 118 | 51.5 Ų | 51.5 | 72% | 0.715 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -62.6 | 174.7 | -178 | 0 | 0 | 0 | 0 | 110.4 | N27 K83 | N27-V29 PolarHBondContact O-N 2.89Å; N27-V29 VanDerWaalsContact O-N 3.13Å; N27-V29 WeakPolarHBondContact OD1-CA 3.47Å; N27-V29 WeakPolarHBondContact OD1-CB 3.4Å; N27-V29 PolarHBondContact OD1-N 3.1Å; V29-K83 WeakPolarHBondContact O-CE 3.2Å |
| 30 | T | 95.8 | Very high | 91.1 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 10% | 0.104 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -17.2 | -172.2 | 61.2 | 0 | 0 | 0 | 0 | 114 | N27 L32 G87 T118 K119 | N27-T30 WeakPolarHBondContact CB-OG1 3.32Å; N27-T30 PolarHBondContact OD1-N 3.29Å; N27-T30 PolarHBondContact OD1-OG1 2.96Å; T30-L32 PolarHBondContact O-N 2.99Å; T30-L32 PolarHBondContact OG1-N 2.88Å; T30-G87 VanDerWaalsContact O-CA 3.3Å; T30-G87 WeakPolarHBondContact O-CA 3.5Å; T30-T118 PolarHBondContact OG1-O 2.98Å; T30-K119 WeakPolarHBondContact CG2-O 3.49Å |
| 31 | G | 96.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | 73.9 | -6.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q26 N27 L84 | Q26-G31 WeakPolarHBondContact CG-O 3.48Å; Q26-G31 PolarHBondContact NE2-O 3.46Å; N27-G31 WeakPolarHBondContact O-CA 3.45Å; N27-G31 PolarHBondContact O-N 3.17Å; G31-L84 WeakPolarHBondContact O-CA 3.34Å; G31-L84 VanDerWaalsContact O-CB 3.26Å; G31-L84 WeakPolarHBondContact O-CB 3.36Å; G31-L84 WeakPolarHBondContact O-CD1 3.43Å | ||
| 32 | L | 97.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 148.2 | -177.7 | -62.8 | 175.7 | 0 | 0 | 0 | 112.2 | N27 T30 A42 L88 T118 | N27-L32 VanDerWaalsContact CB-O 3.26Å; N27-L32 WeakPolarHBondContact CB-O 3.27Å; N27-L32 PolarHBondContact N-O 3.22Å; T30-L32 PolarHBondContact O-N 2.99Å; T30-L32 PolarHBondContact OG1-N 2.88Å; L32-A42 HydrophobicContact CB-CB 3.97Å; L32-A42 HydrophobicContact CD1-CB 4.11Å; L32-A42 HydrophobicContact CD2-CB 4.48Å; L32-A42 HydrophobicContact CG-CB 4.42Å; L32-L88 HydrophobicContact CD2-CD2 3.6Å; L32-L88 HydrophobicContact CD2-CG 3.88Å; L32-T118 HydrophobicContact CB-CG2 4.03Å |
| 33 | L | 96.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 137.3 | 169 | -70.9 | 163.8 | 0 | 0 | 0 | 109.7 | I22 H25 Q26 A42 N47 L84 | I22-L33 HydrophobicContact CG2-CD1 3.92Å; I22-L33 HydrophobicContact CG2-CD2 4.25Å; I22-L33 WeakPolarHBondContact O-CD2 3.48Å; H25-L33 HydrophobicContact CB-CD2 4.08Å; Q26-L33 HydrophobicContact CB-CD2 3.96Å; Q26-L33 HydrophobicContact CG-CD2 4.38Å; L33-A42 WeakPolarHBondContact O-CA 3.38Å; L33-A42 WeakPolarHBondContact O-CB 3.25Å; L33-N47 PolarHBondContact N-OD1 3.03Å; L33-N47 PolarHBondContact O-ND2 3Å; L33-N47 PolarHBondContact O-OD1 3.39Å; L33-L84 HydrophobicContact CB-CD1 4.45Å; L33-L84 HydrophobicContact CD1-CD1 3.72Å; L33-L84 HydrophobicContact CG-CD1 3.9Å |
| 34 | P | 93.5 | Very high | 91.3 | Very high | 17 Ų | 17 | 49 Ų | 49 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 161.9 | 165 | 34.4 | -35.7 | 0 | 0 | 0 | 110.3 | H25 S36 E39 D41 M401 | H25-P34 HydrophobicContact CB-CG 4.21Å; H25-P34 VanDerWaalsContact O-CD 3.24Å; H25-P34 WeakPolarHBondContact O-CD 3.39Å; P34-S36 WeakPolarHBondContact CB-O 3.5Å; P34-E39 WeakPolarHBondContact CB-O 3.4Å; P34-D41 CarbonylContact C-O 3.59Å; P34-D41 WeakPolarHBondContact CA-O 3.39Å; P34-M401 WeakPolarHBondContact O-CE 3.46Å |
| 35 | A | 83.7 | Confident | 91.5 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -73.6 | -27.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E39 D41 W43 | A35-E39 HydrophobicContact CB-CB 4.08Å; A35-E39 PolarHBondContact N-O 2.87Å; A35-E39 VanDerWaalsContact N-O 3.13Å; A35-D41 PolarHBondContact N-O 3.13Å; A35-W43 HydrophobicContact CB-CD2 4.49Å; A35-W43 HydrophobicContact CB-CE3 3.61Å; A35-W43 HydrophobicContact CB-CZ3 3.73Å |
| 36 | S | 83.8 | Confident | 91.5 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -155.8 | -171.7 | 168.6 | 82.5 | 0 | 0 | 0 | 0 | 111.8 | P34 D38 E39 | P34-S36 WeakPolarHBondContact CB-O 3.5Å; S36-D38 VanDerWaalsContact C-N 3.28Å; S36-D38 PolarHBondContact OG-N 2.94Å; S36-D38 VanDerWaalsContact OG-N 3.16Å; S36-E39 PolarHBondContact N-O 2.88Å; S36-E39 PolarHBondContact OG-N 3.17Å |
| 37 | Y | 76.2 | Confident | 91.6 | Very high | 175 Ų | 175 | 42.5 Ų | 42.5 | 69% | 0.686 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -66.1 | -33.4 | 170.8 | 179.7 | -97.9 | 0 | 0 | 0 | 112.2 | K40 | Y37-K40 VanDerWaalsContact O-CE 3.25Å; Y37-K40 WeakPolarHBondContact O-CE 3.36Å |
| 38 | D | 77.4 | Confident | 91.7 | Very high | 121 Ų | 121 | 41.6 Ų | 41.6 | 65% | 0.647 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -93.7 | -43.9 | -177.3 | -57.8 | -63.9 | 0 | 0 | 0 | 111.4 | S36 K40 | S36-D38 VanDerWaalsContact C-N 3.28Å; S36-D38 PolarHBondContact OG-N 2.94Å; S36-D38 VanDerWaalsContact OG-N 3.16Å; D38-K40 PolarHBondContact O-N 3.07Å; D38-K40 VanDerWaalsContact O-N 3.16Å |
| 39 | E | 80.3 | Confident | 91.9 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 32% | 0.318 | 18% | 0.18 | S | C | . | . | trans | -80.4 | 88.1 | 173 | -69.8 | 173.8 | -143.2 | 0 | 0 | 110.4 | P34 A35 S36 D41 K397 | P34-E39 WeakPolarHBondContact CB-O 3.4Å; A35-E39 HydrophobicContact CB-CB 4.08Å; A35-E39 PolarHBondContact N-O 2.87Å; A35-E39 VanDerWaalsContact N-O 3.13Å; S36-E39 PolarHBondContact N-O 2.88Å; S36-E39 PolarHBondContact OG-N 3.17Å; E39-D41 VanDerWaalsContact C-N 3.26Å; E39-D41 PolarHBondContact O-N 3.22Å; E39-K397 WeakPolarHBondContact OE1-CE 3.5Å; E39-K397 IonicContact OE1-NZ 2.75Å; E39-K397 WeakPolarHBondContact OE2-CE 3.44Å; E39-K397 IonicContact OE2-NZ 2.74Å; E39-K397 PolarHBondContact OE2-NZ 2.78Å | ||
| 40 | K | 89.3 | Confident | 92.1 | Very high | 137 Ų | 137 | 31 Ų | 31 | 60% | 0.596 | 15% | 0.147 | S | C | * | . | trans | -80.3 | 1.7 | -170.6 | -72.4 | 156.2 | -171.7 | 149.5 | 0 | 115.4 | Y37 D38 T118 | Y37-K40 VanDerWaalsContact O-CE 3.25Å; Y37-K40 WeakPolarHBondContact O-CE 3.36Å; D38-K40 PolarHBondContact O-N 3.07Å; D38-K40 VanDerWaalsContact O-N 3.16Å; K40-T118 VanDerWaalsContact O-CB 3.28Å; K40-T118 WeakPolarHBondContact O-CB 3.44Å; K40-T118 PolarHBondContact O-OG1 2.87Å | ||
| 41 | D | 93.4 | Very high | 92.2 | Very high | 42 Ų | 42 | 30.2 Ų | 30.2 | 23% | 0.225 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 153.9 | 179 | -62.7 | -34.2 | 0 | 0 | 0 | 111.5 | P34 A35 E39 W43 Y116 V124 | P34-D41 CarbonylContact C-O 3.59Å; P34-D41 WeakPolarHBondContact CA-O 3.39Å; A35-D41 PolarHBondContact N-O 3.13Å; E39-D41 VanDerWaalsContact C-N 3.26Å; E39-D41 PolarHBondContact O-N 3.22Å; D41-W43 HydrophobicContact CB-CE3 4.32Å; D41-W43 HydrophobicContact CB-CZ3 3.89Å; D41-Y116 CarbonylContact C-O 3.58Å; D41-Y116 WeakPolarHBondContact CA-O 3.38Å; D41-Y116 WeakPolarHBondContact CB-O 3.41Å; D41-V124 HydrophobicContact CB-CG2 4.47Å |
| 42 | A | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 105.1 | -174 | 0 | 0 | 0 | 0 | 0 | 110.3 | L32 L33 K115 Y116 T118 | L32-A42 HydrophobicContact CB-CB 3.97Å; L32-A42 HydrophobicContact CD1-CB 4.11Å; L32-A42 HydrophobicContact CD2-CB 4.48Å; L32-A42 HydrophobicContact CG-CB 4.42Å; L33-A42 WeakPolarHBondContact O-CA 3.38Å; L33-A42 WeakPolarHBondContact O-CB 3.25Å; A42-K115 CarbonylContact O-C 3.44Å; A42-K115 WeakPolarHBondContact O-CA 3.49Å; A42-Y116 PolarHBondContact N-O 3.37Å; A42-Y116 PolarHBondContact O-N 3.19Å; A42-T118 WeakPolarHBondContact CB-OG1 3.34Å; A42-T118 PolarHBondContact N-OG1 3.13Å |
| 43 | W | 96 | Very high | 92.3 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 8% | 0.083 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 137.3 | 169.2 | -83.9 | -110.4 | 0 | 0 | 0 | 110.4 | A35 D41 D46 N47 A114 K115 W130 E185 | A35-W43 HydrophobicContact CB-CD2 4.49Å; A35-W43 HydrophobicContact CB-CE3 3.61Å; A35-W43 HydrophobicContact CB-CZ3 3.73Å; D41-W43 HydrophobicContact CB-CE3 4.32Å; D41-W43 HydrophobicContact CB-CZ3 3.89Å; W43-D46 HydrophobicContact CB-CB 3.97Å; W43-N47 VanDerWaalsContact O-CB 3.3Å; W43-N47 WeakPolarHBondContact O-CB 3.34Å; W43-N47 PolarHBondContact O-N 3.17Å; W43-N47 PolarHBondContact O-ND2 3.14Å; W43-A114 WeakPolarHBondContact CA-O 3.36Å; W43-K115 HydrophobicContact CD2-CB 3.69Å; W43-K115 HydrophobicContact CD2-CD 4.08Å; W43-K115 VanDerWaalsContact CE2-CD 3.48Å; W43-K115 HydrophobicContact CE3-CB 4.13Å; W43-K115 HydrophobicContact CE3-CD 4.47Å; W43-K115 HydrophobicContact CG-CB 3.85Å; W43-K115 HydrophobicContact CH2-CD 3.93Å; W43-K115 HydrophobicContact CZ2-CD 3.42Å; W43-K115 VanDerWaalsContact CZ2-CD 3.42Å; W43-K115 HydrophobicContact CZ3-CD 4.41Å; W43-W130 HydrophobicContact CZ2-CZ2 4.06Å; W43-E185 VanDerWaalsContact NE1-CD 3.33Å; W43-E185 PolarHBondContact NE1-OE1 3.38Å; W43-E185 PolarHBondContact NE1-OE2 3.14Å |
| 44 | V | 96.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.1 | -52.8 | -177 | -179.7 | 0 | 0 | 0 | 0 | 111 | N47 V48 L88 M92 A114 Y116 A137 | V44-N47 WeakPolarHBondContact O-CB 3.46Å; V44-N47 PolarHBondContact O-N 2.75Å; V44-V48 HydrophobicContact CG1-CG2 4.44Å; V44-V48 WeakPolarHBondContact O-CG2 3.4Å; V44-V48 PolarHBondContact O-N 2.73Å; V44-L88 HydrophobicContact CB-CD2 4.43Å; V44-L88 HydrophobicContact CG1-CD1 4.33Å; V44-L88 HydrophobicContact CG1-CD2 4.41Å; V44-L88 HydrophobicContact CG2-CD2 4.25Å; V44-M92 HydrophobicContact CG1-CE 3.7Å; V44-M92 HydrophobicContact CG2-CE 4.14Å; V44-A114 PolarHBondContact N-O 3Å; V44-Y116 HydrophobicContact CG2-CD2 4.21Å; V44-Y116 HydrophobicContact CG2-CE2 3.66Å; V44-A137 HydrophobicContact CB-CB 4.34Å; V44-A137 VanDerWaalsContact CG1-O 3.25Å; V44-A137 WeakPolarHBondContact CG1-O 3.41Å |
| 45 | R | 96 | Very high | 92.6 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 3% | 0.03 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.7 | -54.1 | 179.6 | 174.5 | -178.3 | 59.7 | -107.5 | -13.4 | 112.1 | N47 V48 Y49 D136 A137 V140 I183 E185 W402 | R45-N47 VanDerWaalsContact C-N 3.27Å; R45-N47 PolarHBondContact O-N 3.17Å; R45-V48 PolarHBondContact O-N 3.15Å; R45-Y49 HydrophobicContact CG-CD2 3.74Å; R45-Y49 HydrophobicContact CG-CE2 3.88Å; R45-Y49 WeakPolarHBondContact O-CD2 3.42Å; R45-Y49 PolarHBondContact O-N 3.24Å; R45-D136 WeakPolarHBondContact CD-OD2 3.41Å; R45-D136 IonicContact CZ-OD2 3.19Å; R45-D136 IonicContact NH1-OD2 2.85Å; R45-D136 PolarHBondContact NH1-OD2 2.86Å; R45-A137 HydrophobicContact CB-CB 4.35Å; R45-V140 HydrophobicContact CB-CG1 4.42Å; R45-I183 VanDerWaalsContact CD-CG1 3.47Å; R45-I183 PolarHBondContact NH1-O 3.42Å; R45-E185 IonicContact CZ-OE1 2.8Å; R45-E185 IonicContact NH2-OE1 2.77Å; R45-E185 PolarHBondContact NH2-OE1 3.06Å; R45-W402 HydrophobicContact CG-CZ3 4.47Å |
| 46 | D | 94.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 8% | 0.075 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59 | -38.7 | -180 | -64.7 | -136.7 | 0 | 0 | 0 | 111.5 | W43 S50 | W43-D46 HydrophobicContact CB-CB 3.97Å; D46-S50 WeakPolarHBondContact O-CB 3.45Å; D46-S50 PolarHBondContact O-N 3.19Å; D46-S50 PolarHBondContact O-OG 3.48Å |
| 47 | N | 97.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.6 | -49 | 175.4 | -89.6 | -108.7 | 0 | 0 | 0 | 111.9 | L33 W43 V44 R45 S50 I51 L84 L88 | L33-N47 PolarHBondContact N-OD1 3.03Å; L33-N47 PolarHBondContact O-ND2 3Å; L33-N47 PolarHBondContact O-OD1 3.39Å; W43-N47 VanDerWaalsContact O-CB 3.3Å; W43-N47 WeakPolarHBondContact O-CB 3.34Å; W43-N47 PolarHBondContact O-N 3.17Å; W43-N47 PolarHBondContact O-ND2 3.14Å; V44-N47 WeakPolarHBondContact O-CB 3.46Å; V44-N47 PolarHBondContact O-N 2.75Å; R45-N47 VanDerWaalsContact C-N 3.27Å; R45-N47 PolarHBondContact O-N 3.17Å; N47-S50 PolarHBondContact O-N 2.94Å; N47-I51 PolarHBondContact O-N 3.3Å; N47-I51 VanDerWaalsContact O-N 3.1Å; N47-L84 HydrophobicContact CB-CD1 4.19Å; N47-L84 HydrophobicContact CB-CD2 4.15Å; N47-L84 HydrophobicContact CB-CG 4.46Å; N47-L84 WeakPolarHBondContact OD1-CD1 3.2Å; N47-L88 HydrophobicContact CB-CD1 4.03Å; N47-L88 HydrophobicContact CB-CD2 4.15Å; N47-L88 HydrophobicContact CB-CG 4.5Å |
| 48 | V | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | -179.9 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | V44 R45 I51 L52 M85 L88 V140 Y141 F144 | V44-V48 HydrophobicContact CG1-CG2 4.44Å; V44-V48 WeakPolarHBondContact O-CG2 3.4Å; V44-V48 PolarHBondContact O-N 2.73Å; R45-V48 PolarHBondContact O-N 3.15Å; V48-I51 WeakPolarHBondContact O-CG2 3.4Å; V48-L52 WeakPolarHBondContact O-CD2 3.41Å; V48-L52 WeakPolarHBondContact O-CG 3.3Å; V48-M85 HydrophobicContact CG2-SD 4.19Å; V48-L88 HydrophobicContact CG2-CD1 3.64Å; V48-V140 HydrophobicContact CB-CG1 4.44Å; V48-V140 HydrophobicContact CG1-CG1 4.42Å; V48-V140 HydrophobicContact CG1-CG2 4.13Å; V48-Y141 HydrophobicContact CG2-CD2 4.15Å; V48-F144 HydrophobicContact CG1-CB 3.87Å; V48-F144 HydrophobicContact CG1-CD2 3.51Å; V48-F144 HydrophobicContact CG1-CE2 4.4Å; V48-F144 HydrophobicContact CG1-CG 3.99Å |
| 49 | Y | 97.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -69.3 | -37.7 | 176 | -82.3 | -65.4 | 0 | 0 | 0 | 112.9 | R45 I51 L52 V140 P266 Y334 W402 S405 L406 | R45-Y49 HydrophobicContact CG-CD2 3.74Å; R45-Y49 HydrophobicContact CG-CE2 3.88Å; R45-Y49 WeakPolarHBondContact O-CD2 3.42Å; R45-Y49 PolarHBondContact O-N 3.24Å; Y49-I51 VanDerWaalsContact C-N 3.32Å; Y49-I51 PolarHBondContact O-N 3.08Å; Y49-L52 HydrophobicContact CD1-CD1 3.84Å; Y49-L52 HydrophobicContact CE1-CD1 4.48Å; Y49-L52 WeakPolarHBondContact O-CG 3.38Å; Y49-L52 PolarHBondContact O-N 2.87Å; Y49-V140 HydrophobicContact CE2-CG2 4.04Å; Y49-P266 HydrophobicContact CE1-CG 4.23Å; Y49-Y334 VanDerWaalsContact CE1-OH 3.27Å; Y49-Y334 WeakPolarHBondContact CE1-OH 3.49Å; Y49-Y334 PolarHBondContact OH-OH 3.38Å; Y49-W402 AromaticContact CD1-CD1 3.86Å; Y49-W402 AromaticContact CD1-NE1 3.56Å; Y49-W402 AromaticContact CD2-CD1 3.98Å; Y49-W402 HydrophobicContact CD2-CD2 4Å; Y49-W402 AromaticContact CD2-CE2 3.56Å; Y49-W402 HydrophobicContact CD2-CG 4.26Å; Y49-W402 AromaticContact CD2-CZ2 3.95Å; Y49-W402 HydrophobicContact CD2-CZ2 3.95Å; Y49-W402 AromaticContact CD2-NE1 3.53Å; Y49-W402 AromaticContact CE1-NE1 3.92Å; Y49-W402 AromaticContact CE2-CE2 3.79Å; Y49-W402 AromaticContact CE2-CZ2 3.72Å; Y49-W402 HydrophobicContact CE2-CZ2 3.72Å; Y49-W402 AromaticContact CE2-NE1 3.88Å; Y49-W402 AromaticContact CG-CD1 3.48Å; Y49-W402 VanDerWaalsContact CG-CD1 3.48Å; Y49-W402 HydrophobicContact CG-CD2 4.26Å; Y49-W402 AromaticContact CG-CE2 3.88Å; Y49-W402 HydrophobicContact CG-CG 4.04Å; Y49-W402 AromaticContact CG-NE1 3.35Å; Y49-S405 VanDerWaalsContact O-CB 3.23Å; Y49-S405 WeakPolarHBondContact O-CB 3.37Å; Y49-S405 PolarHBondContact O-OG 3.21Å; Y49-L406 HydrophobicContact CD1-CD1 4.45Å; Y49-L406 HydrophobicContact CD1-CD2 4.25Å |
| 50 | S | 97.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 11.7 Ų | 11.7 | 2% | 0.021 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -68.9 | -27.6 | -179.2 | -60.8 | 0 | 0 | 0 | 0 | 113.3 | D46 N47 L52 M401 W402 S405 | D46-S50 WeakPolarHBondContact O-CB 3.45Å; D46-S50 PolarHBondContact O-N 3.19Å; D46-S50 PolarHBondContact O-OG 3.48Å; N47-S50 PolarHBondContact O-N 2.94Å; S50-L52 VanDerWaalsContact C-N 3.35Å; S50-M401 VanDerWaalsContact OG-C 3.3Å; S50-M401 WeakPolarHBondContact OG-CB 3.34Å; S50-W402 PolarHBondContact OG-N 3.18Å; S50-S405 PolarHBondContact O-OG 2.96Å |
| 51 | I | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -80.2 | -13.5 | 179.4 | -153.7 | 64.5 | 0 | 0 | 0 | 113.4 | N47 V48 Y49 A53 V54 W55 V81 L84 M148 | N47-I51 PolarHBondContact O-N 3.3Å; N47-I51 VanDerWaalsContact O-N 3.1Å; V48-I51 WeakPolarHBondContact O-CG2 3.4Å; Y49-I51 VanDerWaalsContact C-N 3.32Å; Y49-I51 PolarHBondContact O-N 3.08Å; I51-A53 VanDerWaalsContact C-N 3.34Å; I51-A53 PolarHBondContact O-N 3.03Å; I51-V54 HydrophobicContact CD1-CB 3.87Å; I51-V54 HydrophobicContact CD1-CG1 4.25Å; I51-V54 HydrophobicContact CD1-CG2 3.8Å; I51-V54 HydrophobicContact CG1-CB 4.31Å; I51-V54 WeakPolarHBondContact O-CA 3.27Å; I51-V54 WeakPolarHBondContact O-CB 3.4Å; I51-V54 PolarHBondContact O-N 3.35Å; I51-W55 PolarHBondContact O-N 3.01Å; I51-V81 HydrophobicContact CD1-CG2 4.38Å; I51-V81 HydrophobicContact CG1-CB 4.11Å; I51-V81 HydrophobicContact CG1-CG1 4.12Å; I51-V81 HydrophobicContact CG1-CG2 3.92Å; I51-L84 HydrophobicContact CB-CD1 4.12Å; I51-L84 HydrophobicContact CB-CD2 4.1Å; I51-L84 HydrophobicContact CD1-CB 4.24Å; I51-L84 HydrophobicContact CD1-CD1 4.03Å; I51-L84 HydrophobicContact CG1-CB 4.28Å; I51-L84 HydrophobicContact CG1-CD1 4.24Å; I51-L84 HydrophobicContact CG1-CD2 4.37Å; I51-L84 HydrophobicContact CG2-CD2 4.02Å; I51-M148 HydrophobicContact CG2-CE 3.97Å |
| 52 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -61.9 | -37.1 | -177 | -55.9 | -176 | 0 | 0 | 0 | 113.4 | V48 Y49 S50 V54 W55 G56 F144 M148 F265 L406 L409 | V48-L52 WeakPolarHBondContact O-CD2 3.41Å; V48-L52 WeakPolarHBondContact O-CG 3.3Å; Y49-L52 HydrophobicContact CD1-CD1 3.84Å; Y49-L52 HydrophobicContact CE1-CD1 4.48Å; Y49-L52 WeakPolarHBondContact O-CG 3.38Å; Y49-L52 PolarHBondContact O-N 2.87Å; S50-L52 VanDerWaalsContact C-N 3.35Å; L52-V54 VanDerWaalsContact C-N 3.28Å; L52-V54 PolarHBondContact O-N 3.33Å; L52-W55 HydrophobicContact CD2-CE3 4.18Å; L52-W55 PolarHBondContact O-N 3.05Å; L52-G56 PolarHBondContact O-N 2.97Å; L52-F144 HydrophobicContact CD1-CE1 3.97Å; L52-F144 HydrophobicContact CD1-CE2 3.85Å; L52-F144 HydrophobicContact CD1-CZ 3.43Å; L52-F144 VanDerWaalsContact CD1-CZ 3.43Å; L52-F144 HydrophobicContact CD2-CD1 3.51Å; L52-F144 HydrophobicContact CD2-CD2 4.15Å; L52-F144 HydrophobicContact CD2-CE1 3.43Å; L52-F144 VanDerWaalsContact CD2-CE1 3.43Å; L52-F144 HydrophobicContact CD2-CE2 4.05Å; L52-F144 HydrophobicContact CD2-CG 3.88Å; L52-F144 HydrophobicContact CD2-CZ 3.7Å; L52-F144 HydrophobicContact CG-CE1 4.35Å; L52-F144 HydrophobicContact CG-CZ 4.22Å; L52-M148 HydrophobicContact CD2-CE 3.91Å; L52-F265 HydrophobicContact CD1-CE1 4.37Å; L52-F265 HydrophobicContact CD1-CZ 4.32Å; L52-L406 HydrophobicContact CD1-CD2 4.09Å; L52-L409 HydrophobicContact CB-CD2 4.19Å |
| 53 | A | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.9 | -32.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | V18 I22 I51 L57 S405 I408 | V18-A53 HydrophobicContact CG2-CB 4.33Å; I22-A53 HydrophobicContact CD1-CB 4.01Å; I51-A53 VanDerWaalsContact C-N 3.34Å; I51-A53 PolarHBondContact O-N 3.03Å; A53-L57 WeakPolarHBondContact O-CB 3.12Å; A53-L57 PolarHBondContact O-N 2.8Å; A53-S405 WeakPolarHBondContact CB-OG 3.45Å; A53-S405 PolarHBondContact N-OG 2.9Å; A53-I408 HydrophobicContact CB-CB 3.89Å; A53-I408 HydrophobicContact CB-CD1 4.43Å; A53-I408 HydrophobicContact CB-CG2 3.83Å |
| 54 | V | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -72.1 | -44.1 | 176.8 | -173.2 | 0 | 0 | 0 | 0 | 110 | V18 I22 L23 I51 L52 L57 G58 L77 V81 | V18-V54 HydrophobicContact CG1-CG2 3.75Å; I22-V54 HydrophobicContact CG2-CG2 4.23Å; L23-V54 HydrophobicContact CD1-CG1 4.3Å; L23-V54 HydrophobicContact CD1-CG2 4.47Å; L23-V54 HydrophobicContact CD2-CG1 4.08Å; L23-V54 HydrophobicContact CD2-CG2 3.83Å; L23-V54 HydrophobicContact CG-CG2 4.08Å; I51-V54 HydrophobicContact CD1-CB 3.87Å; I51-V54 HydrophobicContact CD1-CG1 4.25Å; I51-V54 HydrophobicContact CD1-CG2 3.8Å; I51-V54 HydrophobicContact CG1-CB 4.31Å; I51-V54 WeakPolarHBondContact O-CA 3.27Å; I51-V54 WeakPolarHBondContact O-CB 3.4Å; I51-V54 PolarHBondContact O-N 3.35Å; L52-V54 VanDerWaalsContact C-N 3.28Å; L52-V54 PolarHBondContact O-N 3.33Å; V54-L57 PolarHBondContact O-N 3.02Å; V54-G58 PolarHBondContact O-N 2.73Å; V54-L77 HydrophobicContact CG1-CB 4.15Å; V54-L77 HydrophobicContact CG1-CD2 3.88Å; V54-V81 HydrophobicContact CB-CG2 4.05Å; V54-V81 HydrophobicContact CG1-CG2 3.86Å |
| 55 | W | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.6 | -51.4 | 175.4 | 175.8 | 50.7 | 0 | 0 | 0 | 112 | I51 L52 L57 G58 L59 V81 F144 Q147 M148 S151 I423 | I51-W55 PolarHBondContact O-N 3.01Å; L52-W55 HydrophobicContact CD2-CE3 4.18Å; L52-W55 PolarHBondContact O-N 3.05Å; W55-L57 VanDerWaalsContact C-N 3.34Å; W55-L57 PolarHBondContact O-N 3.35Å; W55-G58 PolarHBondContact O-N 2.91Å; W55-G58 VanDerWaalsContact O-N 3.14Å; W55-L59 HydrophobicContact CD2-CD1 4.21Å; W55-L59 HydrophobicContact CG-CD1 4.45Å; W55-L59 HydrophobicContact CZ2-CD1 4.08Å; W55-L59 WeakPolarHBondContact O-CG 3.43Å; W55-L59 PolarHBondContact O-N 2.91Å; W55-V81 HydrophobicContact CB-CG1 4.2Å; W55-V81 HydrophobicContact CB-CG2 3.81Å; W55-F144 HydrophobicContact CZ3-CD1 4.1Å; W55-F144 AromaticContact CZ3-CE1 3.95Å; W55-F144 HydrophobicContact CZ3-CE1 3.95Å; W55-Q147 HydrophobicContact CH2-CB 4.13Å; W55-M148 HydrophobicContact CB-CE 4.27Å; W55-M148 HydrophobicContact CD2-CE 4.1Å; W55-M148 HydrophobicContact CD2-CG 4.02Å; W55-M148 HydrophobicContact CE3-CE 4.18Å; W55-M148 HydrophobicContact CG-CE 4.17Å; W55-M148 HydrophobicContact CG-CG 4.34Å; W55-M148 HydrophobicContact CZ2-CG 4.08Å; W55-S151 PolarHBondContact NE1-OG 3.08Å; W55-I423 HydrophobicContact CE3-CD1 4.18Å; W55-I423 HydrophobicContact CH2-CD1 4.43Å; W55-I423 WeakPolarHBondContact CH2-O 3.4Å; W55-I423 HydrophobicContact CZ3-CD1 4.04Å; W55-I423 HydrophobicContact CZ3-CG2 4.22Å |
| 56 | G | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.8 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L52 L59 A60 | L52-G56 PolarHBondContact O-N 2.97Å; G56-L59 PolarHBondContact O-N 3.03Å; G56-A60 VanDerWaalsContact O-CB 3.29Å; G56-A60 WeakPolarHBondContact O-CB 3.35Å; G56-A60 PolarHBondContact O-N 3.14Å |
| 57 | L | 97.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67 | -39 | 173.9 | -175.4 | 65.1 | 0 | 0 | 0 | 112.1 | L11 A15 V18 A53 V54 W55 A60 Y61 L77 L412 | L11-L57 HydrophobicContact CD2-CD1 4.12Å; A15-L57 HydrophobicContact CB-CD2 4.06Å; V18-L57 HydrophobicContact CB-CD2 4.2Å; V18-L57 HydrophobicContact CG2-CD2 4.02Å; A53-L57 WeakPolarHBondContact O-CB 3.12Å; A53-L57 PolarHBondContact O-N 2.8Å; V54-L57 PolarHBondContact O-N 3.02Å; W55-L57 VanDerWaalsContact C-N 3.34Å; W55-L57 PolarHBondContact O-N 3.35Å; L57-A60 PolarHBondContact O-N 3.23Å; L57-Y61 HydrophobicContact CD1-CD2 4.02Å; L57-Y61 HydrophobicContact CD1-CE2 3.75Å; L57-Y61 HydrophobicContact CD2-CE2 4.23Å; L57-Y61 HydrophobicContact CG-CD2 3.93Å; L57-Y61 HydrophobicContact CG-CE2 3.84Å; L57-Y61 WeakPolarHBondContact O-CD2 3.37Å; L57-Y61 PolarHBondContact O-N 3.21Å; L57-L77 HydrophobicContact CB-CD1 4.3Å; L57-L77 HydrophobicContact CD2-CD1 3.92Å; L57-L77 HydrophobicContact CD2-CD2 4.31Å; L57-L77 HydrophobicContact CG-CD1 3.8Å; L57-L412 HydrophobicContact CB-CD1 4.18Å; L57-L412 HydrophobicContact CD1-CD1 4.34Å; L57-L412 HydrophobicContact CD1-CD2 4.27Å |
| 58 | G | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.4 | -51 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V54 W55 A60 Y61 R62 | V54-G58 PolarHBondContact O-N 2.73Å; W55-G58 PolarHBondContact O-N 2.91Å; W55-G58 VanDerWaalsContact O-N 3.14Å; G58-A60 VanDerWaalsContact C-N 3.34Å; G58-A60 PolarHBondContact O-N 2.7Å; G58-Y61 PolarHBondContact O-N 3.14Å; G58-R62 WeakPolarHBondContact O-CB 3.49Å; G58-R62 PolarHBondContact O-N 3.39Å |
| 59 | L | 96.1 | Very high | 90.8 | Very high | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.073 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.1 | -42.8 | 173.3 | -68.2 | 174.9 | 0 | 0 | 0 | 112.2 | W55 G56 Y61 R62 K63 L418 E422 I423 | W55-L59 HydrophobicContact CD2-CD1 4.21Å; W55-L59 HydrophobicContact CG-CD1 4.45Å; W55-L59 HydrophobicContact CZ2-CD1 4.08Å; W55-L59 WeakPolarHBondContact O-CG 3.43Å; W55-L59 PolarHBondContact O-N 2.91Å; G56-L59 PolarHBondContact O-N 3.03Å; L59-Y61 PolarHBondContact O-N 2.97Å; L59-R62 PolarHBondContact O-N 2.83Å; L59-K63 VanDerWaalsContact O-CB 3.27Å; L59-K63 WeakPolarHBondContact O-CB 3.39Å; L59-K63 PolarHBondContact O-N 2.96Å; L59-L418 HydrophobicContact CB-CD2 3.92Å; L59-E422 WeakPolarHBondContact CD1-O 3.44Å; L59-I423 HydrophobicContact CD1-CD1 3.95Å |
| 60 | A | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -39.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L11 G56 L57 G58 N64 F417 L418 | L11-A60 HydrophobicContact CD2-CB 3.97Å; G56-A60 VanDerWaalsContact O-CB 3.29Å; G56-A60 WeakPolarHBondContact O-CB 3.35Å; G56-A60 PolarHBondContact O-N 3.14Å; L57-A60 PolarHBondContact O-N 3.23Å; G58-A60 VanDerWaalsContact C-N 3.34Å; G58-A60 PolarHBondContact O-N 2.7Å; A60-N64 WeakPolarHBondContact O-CB 3.43Å; A60-N64 PolarHBondContact O-N 2.91Å; A60-N64 PolarHBondContact O-ND2 2.98Å; A60-F417 HydrophobicContact CB-CB 4.18Å; A60-L418 HydrophobicContact CB-CD2 4.11Å; A60-L418 HydrophobicContact CB-CG 4.22Å |
| 61 | Y | 93.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66 | -50 | 170.4 | -85.8 | -73.6 | 0 | 0 | 0 | 111.4 | L11 D12 A15 L57 G58 L59 K63 N64 A65 D70 K73 L77 | L11-Y61 HydrophobicContact CB-CE1 4.08Å; L11-Y61 HydrophobicContact CB-CE2 4.42Å; L11-Y61 PolarHBondContact O-OH 3.45Å; L11-Y61 VanDerWaalsContact O-OH 3.06Å; D12-Y61 PolarHBondContact N-OH 3.45Å; D12-Y61 PolarHBondContact OD1-OH 2.64Å; A15-Y61 HydrophobicContact CB-CE2 4.19Å; L57-Y61 HydrophobicContact CD1-CD2 4.02Å; L57-Y61 HydrophobicContact CD1-CE2 3.75Å; L57-Y61 HydrophobicContact CD2-CE2 4.23Å; L57-Y61 HydrophobicContact CG-CD2 3.93Å; L57-Y61 HydrophobicContact CG-CE2 3.84Å; L57-Y61 WeakPolarHBondContact O-CD2 3.37Å; L57-Y61 PolarHBondContact O-N 3.21Å; G58-Y61 PolarHBondContact O-N 3.14Å; L59-Y61 PolarHBondContact O-N 2.97Å; Y61-K63 VanDerWaalsContact C-N 3.3Å; Y61-K63 PolarHBondContact O-N 3.12Å; Y61-N64 CarbonylContact O-C 3.5Å; Y61-N64 PolarHBondContact O-N 3.49Å; Y61-A65 WeakPolarHBondContact O-CA 3.45Å; Y61-A65 WeakPolarHBondContact O-CB 3.4Å; Y61-A65 PolarHBondContact O-N 3.34Å; Y61-D70 HydrophobicContact CD1-CB 4.12Å; Y61-K73 HydrophobicContact CD1-CB 4.32Å; Y61-K73 HydrophobicContact CD1-CD 4.13Å; Y61-K73 HydrophobicContact CD2-CB 4.5Å; Y61-K73 HydrophobicContact CE1-CB 4.45Å; Y61-K73 HydrophobicContact CE1-CD 3.55Å; Y61-K73 HydrophobicContact CE2-CD 4.49Å; Y61-K73 HydrophobicContact CG-CB 4.35Å; Y61-L77 HydrophobicContact CD2-CD1 3.72Å; Y61-L77 HydrophobicContact CE2-CD1 4.12Å |
| 62 | R | 91 | Very high | 89.3 | Confident | 94 Ų | 94 | 43.4 Ų | 43.4 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -51.9 | -47.3 | -179.5 | -168.9 | -159.1 | -74.4 | -176.4 | -10.2 | 111.7 | G58 L59 A65 A74 E78 S151 | G58-R62 WeakPolarHBondContact O-CB 3.49Å; G58-R62 PolarHBondContact O-N 3.39Å; L59-R62 PolarHBondContact O-N 2.83Å; R62-A65 WeakPolarHBondContact O-CB 3.27Å; R62-A74 HydrophobicContact CB-CB 4.14Å; R62-E78 IonicContact CZ-OE1 2.72Å; R62-E78 IonicContact CZ-OE2 3.62Å; R62-E78 IonicContact NE-OE1 3.69Å; R62-E78 PolarHBondContact NE-OE1 2.97Å; R62-E78 IonicContact NE-OE2 2.74Å; R62-E78 IonicContact NH2-OE1 3.42Å; R62-E78 PolarHBondContact NH2-OE1 2.83Å; R62-E78 IonicContact NH2-OE2 3.71Å; R62-E78 PolarHBondContact NH2-OE2 3.12Å; R62-S151 PolarHBondContact NH1-O 3.04Å |
| 63 | K | 87.4 | Confident | 89 | Confident | 98 Ų | 98 | 46 Ų | 46 | 43% | 0.426 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.6 | -37.2 | 177.1 | -175.1 | -166.6 | -165.8 | 168.8 | 0 | 113.6 | L59 Y61 F417 E422 | L59-K63 VanDerWaalsContact O-CB 3.27Å; L59-K63 WeakPolarHBondContact O-CB 3.39Å; L59-K63 PolarHBondContact O-N 2.96Å; Y61-K63 VanDerWaalsContact C-N 3.3Å; Y61-K63 PolarHBondContact O-N 3.12Å; K63-F417 WeakPolarHBondContact CD-O 3.4Å; K63-F417 PolarHBondContact NZ-O 2.71Å; K63-E422 WeakPolarHBondContact CD-OE1 3.19Å; K63-E422 WeakPolarHBondContact CE-OE1 3.29Å; K63-E422 WeakPolarHBondContact CE-OE2 3.45Å; K63-E422 IonicContact NZ-OE1 2.67Å; K63-E422 PolarHBondContact NZ-OE1 2.89Å; K63-E422 IonicContact NZ-OE2 3.41Å; K63-E422 PolarHBondContact NZ-OE2 2.67Å |
| 64 | N | 81.2 | Confident | 88.8 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 12.5 | -174.5 | -70.6 | -84.9 | 0 | 0 | 0 | 113.3 | R2 L11 A60 Y61 D66 | R2-N64 PolarHBondContact NH2-O 3.34Å; L11-N64 HydrophobicContact CD1-CB 4.28Å; A60-N64 WeakPolarHBondContact O-CB 3.43Å; A60-N64 PolarHBondContact O-N 2.91Å; A60-N64 PolarHBondContact O-ND2 2.98Å; Y61-N64 CarbonylContact O-C 3.5Å; Y61-N64 PolarHBondContact O-N 3.49Å; N64-D66 PolarHBondContact O-N 2.79Å |
| 65 | A | 74.5 | Confident | 88.6 | Confident | 24 Ų | 24 | 52.9 Ų | 52.9 | 20% | 0.198 | 25% | 0.251 | C | S | . | . | trans | -74.7 | 70.7 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116 | Y61 R62 R67 D70 K71 | Y61-A65 WeakPolarHBondContact O-CA 3.45Å; Y61-A65 WeakPolarHBondContact O-CB 3.4Å; Y61-A65 PolarHBondContact O-N 3.34Å; R62-A65 WeakPolarHBondContact O-CB 3.27Å; A65-R67 PolarHBondContact O-N 3.45Å; A65-D70 HydrophobicContact CB-CB 4.44Å; A65-K71 HydrophobicContact CB-CG 3.71Å | ||
| 66 | D | 70.8 | Confident | 88.5 | Confident | 117 Ų | 117 | 59.2 Ų | 59.2 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | trans | -65.4 | -18.8 | 175.5 | -72 | -41.3 | 0 | 0 | 0 | 114.2 | R2 N64 | R2-D66 VanDerWaalsContact CD-OD2 3.24Å; R2-D66 WeakPolarHBondContact CD-OD2 3.5Å; R2-D66 WeakPolarHBondContact CG-OD2 3.11Å; R2-D66 IonicContact CZ-OD2 3.21Å; R2-D66 IonicContact NE-OD2 3.42Å; R2-D66 PolarHBondContact NE-OD2 3.12Å; R2-D66 IonicContact NH2-OD2 2.62Å; N64-D66 PolarHBondContact O-N 2.79Å | ||
| 67 | R | 76.1 | Confident | 88.5 | Confident | 128 Ų | 128 | 60.1 Ų | 60.1 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -136.9 | 150.8 | -172.9 | -61.7 | 178.4 | 72.1 | -137.4 | 2 | 110.8 | A65 E69 D70 K71 | A65-R67 PolarHBondContact O-N 3.45Å; R67-E69 IonicContact CZ-OE1 3.9Å; R67-E69 IonicContact CZ-OE2 2.82Å; R67-E69 VanDerWaalsContact NH1-CD 3.3Å; R67-E69 IonicContact NH1-OE1 2.84Å; R67-E69 PolarHBondContact NH1-OE1 2.9Å; R67-E69 IonicContact NH1-OE2 3.31Å; R67-E69 PolarHBondContact NH1-OE2 3.04Å; R67-E69 VanDerWaalsContact NH2-CD 3.34Å; R67-E69 IonicContact NH2-OE1 3.89Å; R67-E69 PolarHBondContact NH2-OE1 2.82Å; R67-E69 IonicContact NH2-OE2 3.05Å; R67-E69 PolarHBondContact NH2-OE2 3.24Å; R67-E69 PolarHBondContact O-N 2.92Å; R67-D70 WeakPolarHBondContact O-CB 3.45Å; R67-D70 PolarHBondContact O-N 2.88Å; R67-K71 PolarHBondContact O-N 2.79Å |
| 68 | D | 79.9 | Confident | 88.5 | Confident | 115 Ų | 115 | 61.1 Ų | 61.1 | 62% | 0.615 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.3 | -26.5 | -179.1 | -57.6 | -46.6 | 0 | 0 | 0 | 113 | D70 K71 A72 | D68-D70 VanDerWaalsContact C-N 3.29Å; D68-D70 PolarHBondContact O-N 3.35Å; D68-K71 PolarHBondContact O-N 2.84Å; D68-K71 WeakPolarHBondContact OD1-CD 3.2Å; D68-K71 WeakPolarHBondContact OD1-CE 3.45Å; D68-K71 IonicContact OD1-NZ 3.78Å; D68-K71 PolarHBondContact OD1-NZ 2.81Å; D68-A72 WeakPolarHBondContact O-CB 3.42Å; D68-A72 PolarHBondContact O-N 3.19Å |
| 69 | E | 83.4 | Confident | 88.5 | Confident | 107 Ų | 107 | 64.9 Ų | 64.9 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.6 | -40 | 166.8 | -73.2 | 163.6 | -135 | 0 | 0 | 112.7 | R67 A72 K73 | R67-E69 IonicContact CZ-OE1 3.9Å; R67-E69 IonicContact CZ-OE2 2.82Å; R67-E69 VanDerWaalsContact NH1-CD 3.3Å; R67-E69 IonicContact NH1-OE1 2.84Å; R67-E69 PolarHBondContact NH1-OE1 2.9Å; R67-E69 IonicContact NH1-OE2 3.31Å; R67-E69 PolarHBondContact NH1-OE2 3.04Å; R67-E69 VanDerWaalsContact NH2-CD 3.34Å; R67-E69 IonicContact NH2-OE1 3.89Å; R67-E69 PolarHBondContact NH2-OE1 2.82Å; R67-E69 IonicContact NH2-OE2 3.05Å; R67-E69 PolarHBondContact NH2-OE2 3.24Å; R67-E69 PolarHBondContact O-N 2.92Å; E69-A72 PolarHBondContact O-N 2.84Å; E69-K73 WeakPolarHBondContact O-CG 3.36Å; E69-K73 PolarHBondContact O-N 3.03Å; E69-K73 VanDerWaalsContact O-N 3.08Å |
| 70 | D | 84.8 | Confident | 88.6 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.032 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -77.9 | -29.5 | -179.7 | -65.3 | -32.4 | 0 | 0 | 0 | 111.5 | R2 Y61 A65 R67 D68 K73 A74 | R2-D70 IonicContact CZ-OD2 3.84Å; R2-D70 IonicContact NH1-OD2 2.8Å; R2-D70 PolarHBondContact NH1-OD2 3.44Å; R2-D70 IonicContact NH2-OD2 2.63Å; R2-D70 PolarHBondContact NH2-OD2 2.89Å; Y61-D70 HydrophobicContact CD1-CB 4.12Å; A65-D70 HydrophobicContact CB-CB 4.44Å; R67-D70 WeakPolarHBondContact O-CB 3.45Å; R67-D70 PolarHBondContact O-N 2.88Å; D68-D70 VanDerWaalsContact C-N 3.29Å; D68-D70 PolarHBondContact O-N 3.35Å; D70-K73 IonicContact OD1-NZ 3.31Å; D70-K73 PolarHBondContact OD1-NZ 2.88Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 2.91Å |
| 71 | K | 87.2 | Confident | 88.8 | Confident | 108 Ų | 108 | 65.6 Ų | 65.6 | 47% | 0.47 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | 170.2 | -59.4 | 175.4 | -165.7 | 159 | 0 | 111.5 | A65 R67 D68 A74 Y75 | A65-K71 HydrophobicContact CB-CG 3.71Å; R67-K71 PolarHBondContact O-N 2.79Å; D68-K71 PolarHBondContact O-N 2.84Å; D68-K71 WeakPolarHBondContact OD1-CD 3.2Å; D68-K71 WeakPolarHBondContact OD1-CE 3.45Å; D68-K71 IonicContact OD1-NZ 3.78Å; D68-K71 PolarHBondContact OD1-NZ 2.81Å; K71-A74 PolarHBondContact O-N 2.94Å; K71-Y75 WeakPolarHBondContact O-CB 3.42Å; K71-Y75 PolarHBondContact O-N 3.06Å |
| 72 | A | 90.2 | Very high | 89 | Confident | 46 Ų | 46 | 65.9 Ų | 65.9 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D68 E69 A74 Y75 E76 | D68-A72 WeakPolarHBondContact O-CB 3.42Å; D68-A72 PolarHBondContact O-N 3.19Å; E69-A72 PolarHBondContact O-N 2.84Å; A72-A74 VanDerWaalsContact C-N 3.35Å; A72-A74 PolarHBondContact O-N 3.02Å; A72-Y75 PolarHBondContact O-N 2.71Å; A72-E76 WeakPolarHBondContact O-CG 3.19Å; A72-E76 PolarHBondContact O-N 3.35Å |
| 73 | K | 91.4 | Very high | 89.3 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 24% | 0.239 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.4 | -46.3 | 173 | -70.4 | 172.9 | -169.2 | 168.8 | 0 | 112.5 | D12 Y61 E69 D70 E76 L77 | D12-K73 IonicContact OD1-NZ 2.99Å; D12-K73 PolarHBondContact OD1-NZ 3.38Å; D12-K73 IonicContact OD2-NZ 3.51Å; Y61-K73 HydrophobicContact CD1-CB 4.32Å; Y61-K73 HydrophobicContact CD1-CD 4.13Å; Y61-K73 HydrophobicContact CD2-CB 4.5Å; Y61-K73 HydrophobicContact CE1-CB 4.45Å; Y61-K73 HydrophobicContact CE1-CD 3.55Å; Y61-K73 HydrophobicContact CE2-CD 4.49Å; Y61-K73 HydrophobicContact CG-CB 4.35Å; E69-K73 WeakPolarHBondContact O-CG 3.36Å; E69-K73 PolarHBondContact O-N 3.03Å; E69-K73 VanDerWaalsContact O-N 3.08Å; D70-K73 IonicContact OD1-NZ 3.31Å; D70-K73 PolarHBondContact OD1-NZ 2.88Å; K73-E76 PolarHBondContact O-N 2.92Å; K73-L77 WeakPolarHBondContact O-CD1 3.47Å; K73-L77 VanDerWaalsContact O-CG 3.26Å; K73-L77 WeakPolarHBondContact O-CG 3.41Å; K73-L77 PolarHBondContact O-N 3.29Å |
| 74 | A | 94.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.2 | -50.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R62 D70 K71 A72 E76 L77 E78 | R62-A74 HydrophobicContact CB-CB 4.14Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 2.91Å; K71-A74 PolarHBondContact O-N 2.94Å; A72-A74 VanDerWaalsContact C-N 3.35Å; A72-A74 PolarHBondContact O-N 3.02Å; A74-E76 PolarHBondContact O-N 3.47Å; A74-L77 PolarHBondContact O-N 3.43Å; A74-E78 WeakPolarHBondContact O-CB 3.47Å; A74-E78 WeakPolarHBondContact O-CG 3.27Å; A74-E78 PolarHBondContact O-N 3.39Å |
| 75 | Y | 94.3 | Very high | 90.7 | Very high | 142 Ų | 142 | 58.5 Ų | 58.5 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.2 | -42.9 | 179.2 | -176.7 | -102.4 | 0 | 0 | 0 | 112.9 | K71 A72 L77 E78 Q79 | K71-Y75 WeakPolarHBondContact O-CB 3.42Å; K71-Y75 PolarHBondContact O-N 3.06Å; A72-Y75 PolarHBondContact O-N 2.71Å; Y75-L77 PolarHBondContact O-N 2.88Å; Y75-E78 PolarHBondContact O-N 2.85Å; Y75-Q79 HydrophobicContact CD1-CG 4.07Å; Y75-Q79 HydrophobicContact CD2-CG 4.33Å; Y75-Q79 HydrophobicContact CE1-CG 3.65Å; Y75-Q79 HydrophobicContact CE2-CG 3.93Å; Y75-Q79 HydrophobicContact CG-CG 4.39Å; Y75-Q79 WeakPolarHBondContact O-CB 3.41Å; Y75-Q79 VanDerWaalsContact O-CG 3.31Å; Y75-Q79 WeakPolarHBondContact O-CG 3.34Å; Y75-Q79 PolarHBondContact O-N 2.78Å |
| 76 | E | 95.6 | Very high | 91.8 | Very high | 132 Ų | 132 | 60.4 Ų | 60.4 | 62% | 0.617 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.7 | -43.1 | 177.1 | -74 | 174.6 | -178.8 | 0 | 0 | 112.8 | A72 K73 A74 S80 | A72-E76 WeakPolarHBondContact O-CG 3.19Å; A72-E76 PolarHBondContact O-N 3.35Å; K73-E76 PolarHBondContact O-N 2.92Å; A74-E76 PolarHBondContact O-N 3.47Å; E76-S80 PolarHBondContact O-N 3.3Å; E76-S80 PolarHBondContact O-OG 3.13Å; E76-S80 VanDerWaalsContact O-OG 3.12Å |
| 77 | L | 97.4 | Very high | 93.1 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 11% | 0.105 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 174.8 | -68.1 | 166.9 | 0 | 0 | 0 | 110.9 | L23 V54 L57 Y61 K73 A74 Y75 Q79 S80 V81 | L23-L77 HydrophobicContact CD1-CD2 3.88Å; V54-L77 HydrophobicContact CG1-CB 4.15Å; V54-L77 HydrophobicContact CG1-CD2 3.88Å; L57-L77 HydrophobicContact CB-CD1 4.3Å; L57-L77 HydrophobicContact CD2-CD1 3.92Å; L57-L77 HydrophobicContact CD2-CD2 4.31Å; L57-L77 HydrophobicContact CG-CD1 3.8Å; Y61-L77 HydrophobicContact CD2-CD1 3.72Å; Y61-L77 HydrophobicContact CE2-CD1 4.12Å; K73-L77 WeakPolarHBondContact O-CD1 3.47Å; K73-L77 VanDerWaalsContact O-CG 3.26Å; K73-L77 WeakPolarHBondContact O-CG 3.41Å; K73-L77 PolarHBondContact O-N 3.29Å; A74-L77 PolarHBondContact O-N 3.43Å; Y75-L77 PolarHBondContact O-N 2.88Å; L77-Q79 PolarHBondContact O-N 3.01Å; L77-S80 WeakPolarHBondContact O-CB 3.5Å; L77-S80 PolarHBondContact O-N 3.17Å; L77-S80 VanDerWaalsContact O-N 3.12Å; L77-V81 WeakPolarHBondContact O-CG2 3.39Å; L77-V81 PolarHBondContact O-N 2.91Å |
| 78 | E | 96.9 | Very high | 94.1 | Very high | 20 Ų | 20 | 49 Ų | 49 | 9% | 0.093 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 178.8 | -71.5 | 173 | -153 | 0 | 0 | 112.5 | R62 A74 Y75 S80 V81 V82 L153 | R62-E78 IonicContact CZ-OE1 2.72Å; R62-E78 IonicContact CZ-OE2 3.62Å; R62-E78 IonicContact NE-OE1 3.69Å; R62-E78 PolarHBondContact NE-OE1 2.97Å; R62-E78 IonicContact NE-OE2 2.74Å; R62-E78 IonicContact NH2-OE1 3.42Å; R62-E78 PolarHBondContact NH2-OE1 2.83Å; R62-E78 IonicContact NH2-OE2 3.71Å; R62-E78 PolarHBondContact NH2-OE2 3.12Å; A74-E78 WeakPolarHBondContact O-CB 3.47Å; A74-E78 WeakPolarHBondContact O-CG 3.27Å; A74-E78 PolarHBondContact O-N 3.39Å; Y75-E78 PolarHBondContact O-N 2.85Å; E78-S80 VanDerWaalsContact C-N 3.33Å; E78-S80 PolarHBondContact O-N 2.82Å; E78-V81 WeakPolarHBondContact O-CB 3.33Å; E78-V81 PolarHBondContact O-N 2.87Å; E78-V82 WeakPolarHBondContact O-CG2 3.36Å; E78-V82 PolarHBondContact O-N 2.98Å; E78-L153 HydrophobicContact CB-CD2 3.82Å; E78-L153 HydrophobicContact CG-CD2 3.92Å |
| 79 | Q | 97.2 | Very high | 95 | Very high | 79 Ų | 79 | 43.6 Ų | 43.6 | 37% | 0.369 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.8 | -33.6 | 173 | -68.6 | -50.8 | -67.6 | 0 | 0 | 112.1 | Y75 L77 V81 K83 | Y75-Q79 HydrophobicContact CD1-CG 4.07Å; Y75-Q79 HydrophobicContact CD2-CG 4.33Å; Y75-Q79 HydrophobicContact CE1-CG 3.65Å; Y75-Q79 HydrophobicContact CE2-CG 3.93Å; Y75-Q79 HydrophobicContact CG-CG 4.39Å; Y75-Q79 WeakPolarHBondContact O-CB 3.41Å; Y75-Q79 VanDerWaalsContact O-CG 3.31Å; Y75-Q79 WeakPolarHBondContact O-CG 3.34Å; Y75-Q79 PolarHBondContact O-N 2.78Å; L77-Q79 PolarHBondContact O-N 3.01Å; Q79-V81 VanDerWaalsContact C-N 3.3Å; Q79-V81 PolarHBondContact O-N 3.12Å; Q79-K83 WeakPolarHBondContact O-CB 3.12Å; Q79-K83 PolarHBondContact O-N 2.83Å |
| 80 | S | 98.1 | Very high | 95.7 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 21% | 0.21 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -34.8 | 171.6 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | Q26 E76 L77 E78 L84 | Q26-S80 PolarHBondContact NE2-O 3.18Å; E76-S80 PolarHBondContact O-N 3.3Å; E76-S80 PolarHBondContact O-OG 3.13Å; E76-S80 VanDerWaalsContact O-OG 3.12Å; L77-S80 WeakPolarHBondContact O-CB 3.5Å; L77-S80 PolarHBondContact O-N 3.17Å; L77-S80 VanDerWaalsContact O-N 3.12Å; E78-S80 VanDerWaalsContact C-N 3.33Å; E78-S80 PolarHBondContact O-N 2.82Å; S80-L84 PolarHBondContact O-N 3.24Å |
| 81 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -54.5 | 174.1 | 179.7 | 0 | 0 | 0 | 0 | 111 | I51 V54 W55 L77 E78 Q79 K83 L84 M85 M148 L153 | I51-V81 HydrophobicContact CD1-CG2 4.38Å; I51-V81 HydrophobicContact CG1-CB 4.11Å; I51-V81 HydrophobicContact CG1-CG1 4.12Å; I51-V81 HydrophobicContact CG1-CG2 3.92Å; V54-V81 HydrophobicContact CB-CG2 4.05Å; V54-V81 HydrophobicContact CG1-CG2 3.86Å; W55-V81 HydrophobicContact CB-CG1 4.2Å; W55-V81 HydrophobicContact CB-CG2 3.81Å; L77-V81 WeakPolarHBondContact O-CG2 3.39Å; L77-V81 PolarHBondContact O-N 2.91Å; E78-V81 WeakPolarHBondContact O-CB 3.33Å; E78-V81 PolarHBondContact O-N 2.87Å; Q79-V81 VanDerWaalsContact C-N 3.3Å; Q79-V81 PolarHBondContact O-N 3.12Å; V81-K83 PolarHBondContact O-N 3.47Å; V81-L84 PolarHBondContact O-N 3.3Å; V81-L84 VanDerWaalsContact O-N 3.17Å; V81-M85 PolarHBondContact O-N 3.4Å; V81-M148 HydrophobicContact CG1-CE 3.86Å; V81-M148 HydrophobicContact CG1-SD 3.56Å; V81-M148 VanDerWaalsContact CG1-SD 3.56Å; V81-L153 HydrophobicContact CB-CD1 4.19Å; V81-L153 HydrophobicContact CG1-CD1 3.78Å |
| 82 | V | 98.3 | Very high | 96.8 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.7 | -41.7 | 179.4 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | E78 M85 R86 L153 I155 | E78-V82 WeakPolarHBondContact O-CG2 3.36Å; E78-V82 PolarHBondContact O-N 2.98Å; V82-M85 PolarHBondContact O-N 3.35Å; V82-R86 HydrophobicContact CG1-CG 4.35Å; V82-R86 WeakPolarHBondContact O-CB 3.47Å; V82-R86 WeakPolarHBondContact O-CG 3.38Å; V82-R86 PolarHBondContact O-N 2.94Å; V82-L153 HydrophobicContact CG2-CB 4.19Å; V82-L153 HydrophobicContact CG2-CD1 4.42Å; V82-L153 HydrophobicContact CG2-CD2 4.41Å; V82-I155 HydrophobicContact CG2-CG1 4.15Å |
| 83 | K | 98.1 | Very high | 97.2 | Very high | 87 Ų | 87 | 37 Ų | 37 | 38% | 0.378 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 179.8 | -167.3 | 177.5 | -178.7 | 166 | 0 | 113 | P28 V29 Q79 V81 G87 | P28-K83 PolarHBondContact O-NZ 2.93Å; V29-K83 WeakPolarHBondContact O-CE 3.2Å; Q79-K83 WeakPolarHBondContact O-CB 3.12Å; Q79-K83 PolarHBondContact O-N 2.83Å; V81-K83 PolarHBondContact O-N 3.47Å; K83-G87 PolarHBondContact O-N 3.35Å |
| 84 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -47.6 | 174.7 | -179.6 | 145.3 | 0 | 0 | 0 | 111.4 | G31 L33 N47 I51 S80 V81 R86 G87 L88 | G31-L84 WeakPolarHBondContact O-CA 3.34Å; G31-L84 VanDerWaalsContact O-CB 3.26Å; G31-L84 WeakPolarHBondContact O-CB 3.36Å; G31-L84 WeakPolarHBondContact O-CD1 3.43Å; L33-L84 HydrophobicContact CB-CD1 4.45Å; L33-L84 HydrophobicContact CD1-CD1 3.72Å; L33-L84 HydrophobicContact CG-CD1 3.9Å; N47-L84 HydrophobicContact CB-CD1 4.19Å; N47-L84 HydrophobicContact CB-CD2 4.15Å; N47-L84 HydrophobicContact CB-CG 4.46Å; N47-L84 WeakPolarHBondContact OD1-CD1 3.2Å; I51-L84 HydrophobicContact CB-CD1 4.12Å; I51-L84 HydrophobicContact CB-CD2 4.1Å; I51-L84 HydrophobicContact CD1-CB 4.24Å; I51-L84 HydrophobicContact CD1-CD1 4.03Å; I51-L84 HydrophobicContact CG1-CB 4.28Å; I51-L84 HydrophobicContact CG1-CD1 4.24Å; I51-L84 HydrophobicContact CG1-CD2 4.37Å; I51-L84 HydrophobicContact CG2-CD2 4.02Å; S80-L84 PolarHBondContact O-N 3.24Å; V81-L84 PolarHBondContact O-N 3.3Å; V81-L84 VanDerWaalsContact O-N 3.17Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-R86 PolarHBondContact O-N 2.67Å; L84-G87 WeakPolarHBondContact O-CA 3.23Å; L84-G87 PolarHBondContact O-N 3.3Å; L84-L88 HydrophobicContact CD2-CD1 3.86Å; L84-L88 HydrophobicContact CD2-CG 4.43Å; L84-L88 PolarHBondContact O-N 3.43Å |
| 85 | M | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -37.3 | -178.4 | -65.6 | -62.4 | -78.7 | 0 | 0 | 112 | V48 V81 V82 L88 L89 Y141 F144 L145 M148 I155 | V48-M85 HydrophobicContact CG2-SD 4.19Å; V81-M85 PolarHBondContact O-N 3.4Å; V82-M85 PolarHBondContact O-N 3.35Å; M85-L88 PolarHBondContact O-N 3.09Å; M85-L88 HydrophobicContact SD-CD1 4.39Å; M85-L89 PolarHBondContact O-N 2.59Å; M85-Y141 HydrophobicContact CB-CE2 4.43Å; M85-Y141 HydrophobicContact CE-CD2 3.6Å; M85-Y141 HydrophobicContact CE-CE2 3.6Å; M85-Y141 WeakPolarHBondContact O-CE2 3.44Å; M85-Y141 PolarHBondContact O-OH 2.74Å; M85-Y141 HydrophobicContact SD-CD2 4.13Å; M85-Y141 HydrophobicContact SD-CE2 4.13Å; M85-F144 HydrophobicContact CE-CB 4.32Å; M85-L145 HydrophobicContact CE-CB 4.35Å; M85-M148 HydrophobicContact CE-SD 4.19Å; M85-M148 HydrophobicContact CG-SD 3.9Å; M85-M148 HydrophobicContact SD-SD 4.33Å; M85-I155 HydrophobicContact CB-CD1 4.16Å; M85-I155 HydrophobicContact CB-CG2 3.9Å; M85-I155 HydrophobicContact CG-CD1 4.25Å |
| 86 | R | 98.1 | Very high | 97.6 | Very high | 64 Ų | 64 | 35.8 Ų | 35.8 | 24% | 0.242 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.2 | -29.2 | 171.1 | -70.7 | -168.4 | 62.2 | 73.9 | 5.9 | 113.1 | V82 L84 L89 H90 I155 E161 | V82-R86 HydrophobicContact CG1-CG 4.35Å; V82-R86 WeakPolarHBondContact O-CB 3.47Å; V82-R86 WeakPolarHBondContact O-CG 3.38Å; V82-R86 PolarHBondContact O-N 2.94Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-R86 PolarHBondContact O-N 2.67Å; R86-L89 PolarHBondContact O-N 3.19Å; R86-H90 WeakPolarHBondContact O-CB 3.49Å; R86-H90 PolarHBondContact O-N 2.98Å; R86-I155 VanDerWaalsContact CD-O 3.29Å; R86-I155 WeakPolarHBondContact CD-O 3.36Å; R86-I155 HydrophobicContact CG-CG2 4.06Å; R86-I155 VanDerWaalsContact CG-O 3.31Å; R86-I155 WeakPolarHBondContact CG-O 3.39Å; R86-I155 PolarHBondContact NH1-O 3.04Å; R86-E161 IonicContact CZ-OE1 2.72Å; R86-E161 IonicContact CZ-OE2 3.28Å; R86-E161 IonicContact NH1-OE1 2.71Å; R86-E161 PolarHBondContact NH1-OE1 2.94Å; R86-E161 IonicContact NH1-OE2 2.75Å; R86-E161 PolarHBondContact NH1-OE2 2.83Å; R86-E161 IonicContact NH2-OE1 2.64Å; R86-E161 PolarHBondContact NH2-OE1 3.17Å; R86-E161 IonicContact NH2-OE2 3.63Å |
| 87 | G | 98.1 | Very high | 97.7 | Very high | 6 Ų | 6 | 34 Ų | 34 | 6% | 0.062 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T30 K83 L84 H90 C91 | T30-G87 VanDerWaalsContact O-CA 3.3Å; T30-G87 WeakPolarHBondContact O-CA 3.5Å; K83-G87 PolarHBondContact O-N 3.35Å; L84-G87 WeakPolarHBondContact O-CA 3.23Å; L84-G87 PolarHBondContact O-N 3.3Å; G87-H90 PolarHBondContact O-N 3.15Å; G87-C91 PolarHBondContact O-N 3.34Å; G87-C91 VanDerWaalsContact O-N 3.17Å; G87-C91 PolarHBondContact O-SG 2.96Å; G87-C91 VanDerWaalsContact O-SG 3.36Å |
| 88 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 174 | -65.9 | 174.4 | 0 | 0 | 0 | 112 | L32 V44 N47 V48 L84 M85 H90 C91 M92 Y141 | L32-L88 HydrophobicContact CD2-CD2 3.6Å; L32-L88 HydrophobicContact CD2-CG 3.88Å; V44-L88 HydrophobicContact CB-CD2 4.43Å; V44-L88 HydrophobicContact CG1-CD1 4.33Å; V44-L88 HydrophobicContact CG1-CD2 4.41Å; V44-L88 HydrophobicContact CG2-CD2 4.25Å; N47-L88 HydrophobicContact CB-CD1 4.03Å; N47-L88 HydrophobicContact CB-CD2 4.15Å; N47-L88 HydrophobicContact CB-CG 4.5Å; V48-L88 HydrophobicContact CG2-CD1 3.64Å; L84-L88 HydrophobicContact CD2-CD1 3.86Å; L84-L88 HydrophobicContact CD2-CG 4.43Å; L84-L88 PolarHBondContact O-N 3.43Å; M85-L88 PolarHBondContact O-N 3.09Å; M85-L88 HydrophobicContact SD-CD1 4.39Å; L88-H90 VanDerWaalsContact C-N 3.3Å; L88-H90 PolarHBondContact O-N 3.14Å; L88-C91 WeakPolarHBondContact O-CB 3.48Å; L88-C91 PolarHBondContact O-N 3.23Å; L88-C91 VanDerWaalsContact O-N 3.13Å; L88-M92 WeakPolarHBondContact O-CG 3.46Å; L88-M92 PolarHBondContact O-N 3.14Å; L88-Y141 HydrophobicContact CB-CD2 4.03Å; L88-Y141 HydrophobicContact CB-CE2 3.88Å; L88-Y141 HydrophobicContact CD1-CD2 3.88Å; L88-Y141 HydrophobicContact CD1-CE2 4.34Å |
| 89 | L | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.4 | -45.3 | 174.6 | -175.4 | 57.6 | 0 | 0 | 0 | 111.8 | M85 R86 C91 M92 I93 Y141 I156 E161 F164 I165 | M85-L89 PolarHBondContact O-N 2.59Å; R86-L89 PolarHBondContact O-N 3.19Å; L89-C91 VanDerWaalsContact C-N 3.34Å; L89-C91 PolarHBondContact O-N 3.26Å; L89-M92 PolarHBondContact O-N 3.21Å; L89-M92 VanDerWaalsContact O-N 3.16Å; L89-I93 HydrophobicContact CD1-CD1 3.93Å; L89-I93 HydrophobicContact CD1-CG1 4.18Å; L89-I93 HydrophobicContact CD2-CD1 4.41Å; L89-I93 HydrophobicContact CG-CD1 3.76Å; L89-I93 HydrophobicContact CG-CG1 4.37Å; L89-I93 WeakPolarHBondContact O-CG1 3.37Å; L89-I93 PolarHBondContact O-N 3.06Å; L89-Y141 WeakPolarHBondContact CB-OH 3.29Å; L89-I156 HydrophobicContact CD2-CD1 3.7Å; L89-E161 HydrophobicContact CD2-CG 4.3Å; L89-F164 HydrophobicContact CD1-CD1 3.88Å; L89-F164 HydrophobicContact CD1-CE1 4.14Å; L89-I165 HydrophobicContact CD1-CD1 3.84Å |
| 90 | H | 97.6 | Very high | 97.5 | Very high | 90 Ų | 90 | 31.5 Ų | 31.5 | 42% | 0.417 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.8 | -33.5 | 178.3 | -171.4 | 67.5 | 0 | 0 | 0 | 113 | R86 G87 L88 R94 | R86-H90 WeakPolarHBondContact O-CB 3.49Å; R86-H90 PolarHBondContact O-N 2.98Å; G87-H90 PolarHBondContact O-N 3.15Å; L88-H90 VanDerWaalsContact C-N 3.3Å; L88-H90 PolarHBondContact O-N 3.14Å; H90-R94 PolarHBondContact NE2-NE 3.23Å; H90-R94 PolarHBondContact NE2-NH2 3.09Å; H90-R94 WeakPolarHBondContact O-CD 3.39Å; H90-R94 VanDerWaalsContact O-CG 3.24Å; H90-R94 WeakPolarHBondContact O-CG 3.48Å; H90-R94 PolarHBondContact O-N 2.85Å |
| 91 | C | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 170.5 | -71.4 | 0 | 0 | 0 | 0 | 112.5 | G87 L88 L89 Q95 Y116 C121 | G87-C91 PolarHBondContact O-N 3.34Å; G87-C91 VanDerWaalsContact O-N 3.17Å; G87-C91 PolarHBondContact O-SG 2.96Å; G87-C91 VanDerWaalsContact O-SG 3.36Å; L88-C91 WeakPolarHBondContact O-CB 3.48Å; L88-C91 PolarHBondContact O-N 3.23Å; L88-C91 VanDerWaalsContact O-N 3.13Å; L89-C91 VanDerWaalsContact C-N 3.34Å; L89-C91 PolarHBondContact O-N 3.26Å; C91-Q95 PolarHBondContact O-NE2 2.87Å; C91-Y116 HydrophobicContact CB-CD1 3.62Å; C91-Y116 HydrophobicContact CB-CD2 3.71Å; C91-Y116 HydrophobicContact CB-CE1 3.62Å; C91-Y116 HydrophobicContact CB-CE2 3.73Å; C91-Y116 HydrophobicContact CB-CG 3.65Å; C91-Y116 VanDerWaalsContact SG-CG 3.54Å; C91-C121 WeakPolarHBondContact SG-CB 3.48Å; C91-C121 VanDerWaalsContact SG-SG 3.63Å |
| 92 | M | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -73.8 | -45.9 | 179.5 | -64.5 | 175.4 | -177.9 | 0 | 0 | 112.1 | V44 L88 L89 R94 Q95 Y141 F164 L168 | V44-M92 HydrophobicContact CG1-CE 3.7Å; V44-M92 HydrophobicContact CG2-CE 4.14Å; L88-M92 WeakPolarHBondContact O-CG 3.46Å; L88-M92 PolarHBondContact O-N 3.14Å; L89-M92 PolarHBondContact O-N 3.21Å; L89-M92 VanDerWaalsContact O-N 3.16Å; M92-R94 PolarHBondContact O-N 2.78Å; M92-R94 VanDerWaalsContact O-N 3.17Å; M92-Q95 PolarHBondContact O-N 3.09Å; M92-Y141 HydrophobicContact CE-CD1 3.9Å; M92-Y141 HydrophobicContact CE-CD2 4.49Å; M92-Y141 HydrophobicContact CE-CG 3.89Å; M92-Y141 HydrophobicContact SD-CD1 3.96Å; M92-Y141 HydrophobicContact SD-CE1 4.1Å; M92-F164 VanDerWaalsContact C-CZ 3.42Å; M92-F164 HydrophobicContact CB-CE1 3.73Å; M92-F164 HydrophobicContact CB-CZ 3.79Å; M92-F164 WeakPolarHBondContact O-CZ 3.37Å; M92-L168 HydrophobicContact SD-CD1 3.87Å |
| 93 | I | 97.3 | Very high | 96.7 | Very high | 37 Ų | 37 | 32.6 Ų | 32.6 | 19% | 0.19 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.9 | -31.6 | 178.8 | -72.7 | 174.7 | 0 | 0 | 0 | 111.9 | L89 Q95 V96 E161 F164 M492 | L89-I93 HydrophobicContact CD1-CD1 3.93Å; L89-I93 HydrophobicContact CD1-CG1 4.18Å; L89-I93 HydrophobicContact CD2-CD1 4.41Å; L89-I93 HydrophobicContact CG-CD1 3.76Å; L89-I93 HydrophobicContact CG-CG1 4.37Å; L89-I93 WeakPolarHBondContact O-CG1 3.37Å; L89-I93 PolarHBondContact O-N 3.06Å; I93-Q95 PolarHBondContact O-N 2.8Å; I93-Q95 VanDerWaalsContact O-N 3.13Å; I93-V96 WeakPolarHBondContact O-CB 3.47Å; I93-V96 PolarHBondContact O-N 3.48Å; I93-V96 VanDerWaalsContact O-N 3.15Å; I93-E161 HydrophobicContact CD1-CG 4.14Å; I93-F164 HydrophobicContact CB-CZ 4.48Å; I93-F164 HydrophobicContact CD1-CD1 4.21Å; I93-F164 HydrophobicContact CD1-CG 4.43Å; I93-F164 HydrophobicContact CG1-CB 4.45Å; I93-F164 HydrophobicContact CG1-CD1 3.47Å; I93-F164 VanDerWaalsContact CG1-CD1 3.47Å; I93-F164 HydrophobicContact CG1-CD2 4.02Å; I93-F164 HydrophobicContact CG1-CE1 3.59Å; I93-F164 HydrophobicContact CG1-CE2 4.15Å; I93-F164 HydrophobicContact CG1-CG 3.7Å; I93-F164 HydrophobicContact CG1-CZ 3.96Å; I93-M492 HydrophobicContact CD1-CE 4.48Å; I93-M492 HydrophobicContact CG2-CE 4.25Å |
| 94 | R | 96.3 | Very high | 96.1 | Very high | 136 Ų | 136 | 34.7 Ų | 34.7 | 51% | 0.513 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -7.3 | 174.6 | -78.2 | 172 | 164.8 | -152.5 | -3.3 | 115.3 | H90 M92 T120 C121 | H90-R94 PolarHBondContact NE2-NE 3.23Å; H90-R94 PolarHBondContact NE2-NH2 3.09Å; H90-R94 WeakPolarHBondContact O-CD 3.39Å; H90-R94 VanDerWaalsContact O-CG 3.24Å; H90-R94 WeakPolarHBondContact O-CG 3.48Å; H90-R94 PolarHBondContact O-N 2.85Å; M92-R94 PolarHBondContact O-N 2.78Å; M92-R94 VanDerWaalsContact O-N 3.17Å; R94-T120 PolarHBondContact NH1-O 3.43Å; R94-C121 VanDerWaalsContact CD-O 3.25Å; R94-C121 WeakPolarHBondContact CD-O 3.36Å; R94-C121 PolarHBondContact NH1-O 2.9Å |
| 95 | Q | 96.3 | Very high | 95.5 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 31.2 | 174.9 | -65.8 | 158.7 | 98.6 | 0 | 0 | 110.6 | C91 M92 I93 D97 K98 V99 L112 H113 Y116 | C91-Q95 PolarHBondContact O-NE2 2.87Å; M92-Q95 PolarHBondContact O-N 3.09Å; I93-Q95 PolarHBondContact O-N 2.8Å; I93-Q95 VanDerWaalsContact O-N 3.13Å; Q95-D97 VanDerWaalsContact C-N 3.27Å; Q95-D97 PolarHBondContact O-N 3.45Å; Q95-K98 HydrophobicContact CB-CB 4.21Å; Q95-K98 HydrophobicContact CB-CD 4.48Å; Q95-K98 HydrophobicContact CB-CG 4.3Å; Q95-K98 WeakPolarHBondContact O-CA 3.42Å; Q95-K98 VanDerWaalsContact O-CB 3.24Å; Q95-K98 WeakPolarHBondContact O-CB 3.19Å; Q95-K98 PolarHBondContact O-N 2.95Å; Q95-V99 PolarHBondContact O-N 3.32Å; Q95-L112 HydrophobicContact CB-CD2 3.6Å; Q95-L112 HydrophobicContact CG-CD2 4.44Å; Q95-H113 PolarHBondContact OE1-CD2 2.94Å; Q95-Y116 VanDerWaalsContact NE2-CE1 3.28Å; Q95-Y116 PolarHBondContact NE2-OH 3.33Å |
| 96 | V | 97.1 | Very high | 95 | Very high | 21 Ų | 21 | 39.5 Ų | 39.5 | 13% | 0.127 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.3 | -37 | -177.5 | 66.8 | 0 | 0 | 0 | 0 | 113.4 | I93 K98 V99 E100 F164 M492 L494 | I93-V96 WeakPolarHBondContact O-CB 3.47Å; I93-V96 PolarHBondContact O-N 3.48Å; I93-V96 VanDerWaalsContact O-N 3.15Å; V96-K98 PolarHBondContact O-N 2.86Å; V96-V99 PolarHBondContact O-N 2.77Å; V96-V99 VanDerWaalsContact O-N 3.15Å; V96-E100 PolarHBondContact O-N 2.97Å; V96-F164 HydrophobicContact CB-CD2 4.49Å; V96-F164 HydrophobicContact CB-CE2 4.14Å; V96-F164 HydrophobicContact CG2-CD2 4Å; V96-F164 HydrophobicContact CG2-CE2 4.02Å; V96-M492 HydrophobicContact CG2-CB 4.15Å; V96-L494 HydrophobicContact CG2-CD1 3.94Å; V96-L494 HydrophobicContact CG2-CD2 3.66Å; V96-L494 HydrophobicContact CG2-CG 3.78Å |
| 97 | D | 96.6 | Very high | 94.5 | Very high | 93 Ų | 93 | 38.1 Ų | 38.1 | 50% | 0.497 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63 | -26.8 | 174.9 | -52.4 | -83.4 | 0 | 0 | 0 | 112.4 | Q95 S101 K493 | Q95-D97 VanDerWaalsContact C-N 3.27Å; Q95-D97 PolarHBondContact O-N 3.45Å; D97-S101 WeakPolarHBondContact O-CB 3.38Å; D97-S101 PolarHBondContact O-N 3.2Å; D97-S101 VanDerWaalsContact O-N 3.14Å; D97-S101 PolarHBondContact O-OG 3.49Å; D97-K493 IonicContact OD1-NZ 3.92Å; D97-K493 PolarHBondContact OD1-NZ 3.15Å |
| 98 | K | 96.3 | Very high | 94 | Very high | 32 Ų | 32 | 40.5 Ų | 40.5 | 14% | 0.139 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.8 | -45.1 | 171.3 | -71.4 | -153.7 | 175.4 | -151.3 | 0 | 112.6 | Q95 V96 E100 S101 F102 K109 D110 S111 D127 | Q95-K98 HydrophobicContact CB-CB 4.21Å; Q95-K98 HydrophobicContact CB-CD 4.48Å; Q95-K98 HydrophobicContact CB-CG 4.3Å; Q95-K98 WeakPolarHBondContact O-CA 3.42Å; Q95-K98 VanDerWaalsContact O-CB 3.24Å; Q95-K98 WeakPolarHBondContact O-CB 3.19Å; Q95-K98 PolarHBondContact O-N 2.95Å; V96-K98 PolarHBondContact O-N 2.86Å; K98-E100 PolarHBondContact O-N 2.87Å; K98-S101 PolarHBondContact O-N 2.85Å; K98-S101 VanDerWaalsContact O-N 3.12Å; K98-F102 WeakPolarHBondContact O-CB 3.35Å; K98-F102 PolarHBondContact O-N 3.4Å; K98-K109 PolarHBondContact NZ-O 3.49Å; K98-D110 WeakPolarHBondContact CB-O 3.25Å; K98-S111 WeakPolarHBondContact CD-O 3.39Å; K98-S111 PolarHBondContact NZ-O 2.83Å; K98-D127 IonicContact NZ-OD1 3.41Å; K98-D127 PolarHBondContact NZ-OD1 2.79Å; K98-D127 IonicContact NZ-OD2 2.71Å; K98-D127 PolarHBondContact NZ-OD2 3.25Å |
| 99 | V | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.5 | -41.4 | 175.8 | -177 | 0 | 0 | 0 | 0 | 110.2 | Q95 V96 K103 L112 F164 N167 L168 Y171 | Q95-V99 PolarHBondContact O-N 3.32Å; V96-V99 PolarHBondContact O-N 2.77Å; V96-V99 VanDerWaalsContact O-N 3.15Å; V99-K103 WeakPolarHBondContact O-CG 3.31Å; V99-L112 HydrophobicContact CG2-CD1 4.1Å; V99-L112 HydrophobicContact CG2-CD2 3.79Å; V99-L112 HydrophobicContact CG2-CG 4.15Å; V99-F164 HydrophobicContact CG2-CE2 3.92Å; V99-F164 HydrophobicContact CG2-CZ 4.04Å; V99-N167 HydrophobicContact CG1-CB 3.99Å; V99-L168 HydrophobicContact CG1-CD2 4.1Å; V99-L168 HydrophobicContact CG2-CD2 3.91Å; V99-Y171 HydrophobicContact CG1-CD2 4.47Å |
| 100 | E | 95.6 | Very high | 93.3 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.8 | -49.9 | 173.9 | -175.7 | 52.5 | -139 | 0 | 0 | 112.1 | V96 K98 K103 L494 S495 | V96-E100 PolarHBondContact O-N 2.97Å; K98-E100 PolarHBondContact O-N 2.87Å; E100-K103 IonicContact OE1-NZ 3.7Å; E100-K103 WeakPolarHBondContact OE2-CE 3.45Å; E100-K103 IonicContact OE2-NZ 2.69Å; E100-K103 PolarHBondContact OE2-NZ 3.35Å; E100-L494 HydrophobicContact CB-CD2 4.3Å; E100-L494 WeakPolarHBondContact OE2-CA 3.25Å; E100-S495 VanDerWaalsContact CD-OG 3.24Å; E100-S495 WeakPolarHBondContact OE1-CB 3.28Å; E100-S495 PolarHBondContact OE1-OG 2.75Å; E100-S495 PolarHBondContact OE2-N 3.12Å; E100-S495 PolarHBondContact OE2-OG 2.69Å |
| 101 | S | 94.4 | Very high | 93.1 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 39% | 0.385 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67 | -41.5 | -176.3 | -56 | 0 | 0 | 0 | 0 | 112.9 | D97 K98 K103 Y104 S105 | D97-S101 WeakPolarHBondContact O-CB 3.38Å; D97-S101 PolarHBondContact O-N 3.2Å; D97-S101 VanDerWaalsContact O-N 3.14Å; D97-S101 PolarHBondContact O-OG 3.49Å; K98-S101 PolarHBondContact O-N 2.85Å; K98-S101 VanDerWaalsContact O-N 3.12Å; S101-K103 VanDerWaalsContact C-N 3.34Å; S101-K103 PolarHBondContact O-N 2.8Å; S101-Y104 PolarHBondContact O-N 2.98Å; S101-S105 PolarHBondContact O-N 3.11Å; S101-S105 VanDerWaalsContact O-N 3.09Å; S101-S105 PolarHBondContact O-OG 3.12Å |
| 102 | F | 93.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -30.8 | -175 | -171.9 | -92.6 | 0 | 0 | 0 | 113.6 | K98 Y104 S105 Q106 S107 D110 L133 L135 Y171 T178 | K98-F102 WeakPolarHBondContact O-CB 3.35Å; K98-F102 PolarHBondContact O-N 3.4Å; F102-Y104 PolarHBondContact O-N 2.84Å; F102-S105 PolarHBondContact O-N 3.41Å; F102-Q106 VanDerWaalsContact CE2-C 3.45Å; F102-Q106 PolarHBondContact O-N 2.8Å; F102-S107 WeakPolarHBondContact CD2-O 3.46Å; F102-S107 WeakPolarHBondContact CE2-O 3.48Å; F102-D110 HydrophobicContact CB-CB 4.25Å; F102-D110 HydrophobicContact CD2-CB 4.33Å; F102-L133 HydrophobicContact CE2-CD1 3.75Å; F102-L133 HydrophobicContact CE2-CD2 4.29Å; F102-L133 HydrophobicContact CZ-CD1 3.62Å; F102-L135 HydrophobicContact CE1-CD2 4.48Å; F102-L135 HydrophobicContact CZ-CD2 4.31Å; F102-Y171 HydrophobicContact CB-CD2 3.85Å; F102-Y171 HydrophobicContact CB-CE2 3.7Å; F102-Y171 HydrophobicContact CD1-CD1 4.37Å; F102-Y171 AromaticContact CD1-CD2 3.27Å; F102-Y171 HydrophobicContact CD1-CD2 3.27Å; F102-Y171 HydrophobicContact CD1-CE1 4.39Å; F102-Y171 AromaticContact CD1-CE2 3.29Å; F102-Y171 HydrophobicContact CD1-CE2 3.29Å; F102-Y171 AromaticContact CD1-CG 3.84Å; F102-Y171 HydrophobicContact CD1-CG 3.84Å; F102-Y171 AromaticContact CD1-CZ 3.87Å; F102-Y171 AromaticContact CD2-CE2 3.97Å; F102-Y171 HydrophobicContact CD2-CE2 3.97Å; F102-Y171 HydrophobicContact CE1-CD1 4.26Å; F102-Y171 AromaticContact CE1-CD2 3.95Å; F102-Y171 HydrophobicContact CE1-CD2 3.95Å; F102-Y171 HydrophobicContact CE1-CE1 4.13Å; F102-Y171 AromaticContact CE1-CE2 3.81Å; F102-Y171 HydrophobicContact CE1-CE2 3.81Å; F102-Y171 HydrophobicContact CE1-CG 4.15Å; F102-Y171 AromaticContact CE1-CZ 3.88Å; F102-Y171 HydrophobicContact CE2-CE2 4.41Å; F102-Y171 AromaticContact CG-CD2 3.71Å; F102-Y171 HydrophobicContact CG-CD2 3.71Å; F102-Y171 AromaticContact CG-CE2 3.37Å; F102-Y171 HydrophobicContact CG-CE2 3.37Å; F102-Y171 HydrophobicContact CZ-CE2 4.32Å; F102-T178 HydrophobicContact CZ-CG2 3.98Å |
| 103 | K | 88.9 | Confident | 92.9 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.9 | -24.6 | 174.8 | -75.6 | -178.2 | -57.1 | -178.7 | 0 | 113.5 | V99 E100 S101 N167 F170 S495 G496 P498 | V99-K103 WeakPolarHBondContact O-CG 3.31Å; E100-K103 IonicContact OE1-NZ 3.7Å; E100-K103 WeakPolarHBondContact OE2-CE 3.45Å; E100-K103 IonicContact OE2-NZ 2.69Å; E100-K103 PolarHBondContact OE2-NZ 3.35Å; S101-K103 VanDerWaalsContact C-N 3.34Å; S101-K103 PolarHBondContact O-N 2.8Å; K103-N167 PolarHBondContact NZ-OD1 2.93Å; K103-F170 HydrophobicContact CD-CB 3.84Å; K103-F170 HydrophobicContact CD-CD2 4.15Å; K103-F170 HydrophobicContact CD-CG 4.49Å; K103-F170 HydrophobicContact CG-CB 4.03Å; K103-S495 PolarHBondContact NZ-OG 2.7Å; K103-G496 PolarHBondContact NZ-O 3.39Å; K103-P498 HydrophobicContact CB-CG 3.82Å; K103-P498 HydrophobicContact CD-CG 4.41Å; K103-P498 HydrophobicContact CG-CG 4.5Å |
| 104 | Y | 85.4 | Confident | 92.7 | Very high | 131 Ų | 131 | 42.2 Ų | 42.2 | 51% | 0.514 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -105.9 | -46.8 | 177.7 | -57.9 | -83.6 | 0 | 0 | 0 | 112 | S101 F102 S495 P498 | S101-Y104 PolarHBondContact O-N 2.98Å; F102-Y104 PolarHBondContact O-N 2.84Å; Y104-S495 PolarHBondContact OH-OG 2.78Å; Y104-P498 HydrophobicContact CD1-CB 4.45Å; Y104-P498 HydrophobicContact CE1-CB 3.84Å; Y104-P498 HydrophobicContact CE1-CG 4.12Å |
| 105 | S | 87.6 | Confident | 92.6 | Very high | 54 Ų | 54 | 36.4 Ų | 36.4 | 38% | 0.378 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -82.4 | -30.6 | -171.6 | 74.1 | 0 | 0 | 0 | 0 | 114.8 | S101 F102 S107 D110 | S101-S105 PolarHBondContact O-N 3.11Å; S101-S105 VanDerWaalsContact O-N 3.09Å; S101-S105 PolarHBondContact O-OG 3.12Å; F102-S105 PolarHBondContact O-N 3.41Å; S105-S107 PolarHBondContact O-N 2.61Å; S105-S107 PolarHBondContact OG-N 3.02Å; S105-D110 VanDerWaalsContact CB-OD2 3.25Å; S105-D110 WeakPolarHBondContact CB-OD2 3.46Å; S105-D110 WeakPolarHBondContact OG-CB 3.29Å; S105-D110 VanDerWaalsContact OG-CG 3.29Å; S105-D110 PolarHBondContact OG-OD2 2.87Å |
| 106 | Q | 87.6 | Confident | 92.6 | Very high | 47 Ų | 47 | 35.7 Ų | 35.7 | 22% | 0.22 | 19% | 0.186 | C | C | . | . | trans | 48.2 | 25.6 | -169.5 | -68.4 | 156.2 | 73.2 | 0 | 0 | 113.6 | F102 A174 T178 | F102-Q106 VanDerWaalsContact CE2-C 3.45Å; F102-Q106 PolarHBondContact O-N 2.8Å; Q106-A174 HydrophobicContact CG-CB 4.38Å; Q106-T178 HydrophobicContact CB-CG2 4.07Å; Q106-T178 PolarHBondContact OE1-OG1 2.89Å; Q106-T178 VanDerWaalsContact OE1-OG1 3.11Å | ||
| 107 | S | 86.4 | Confident | 92.5 | Very high | 34 Ų | 34 | 36.9 Ų | 36.9 | 24% | 0.238 | 19% | 0.192 | C | C | . | . | trans | -87.2 | 154.8 | -170 | 101.4 | 0 | 0 | 0 | 0 | 113.1 | F102 S105 K109 D110 S111 | F102-S107 WeakPolarHBondContact CD2-O 3.46Å; F102-S107 WeakPolarHBondContact CE2-O 3.48Å; S105-S107 PolarHBondContact O-N 2.61Å; S105-S107 PolarHBondContact OG-N 3.02Å; S107-K109 VanDerWaalsContact C-N 3.25Å; S107-K109 PolarHBondContact O-N 3.45Å; S107-K109 PolarHBondContact OG-N 2.97Å; S107-D110 WeakPolarHBondContact CB-OD2 3.24Å; S107-D110 PolarHBondContact O-N 3.46Å; S107-D110 VanDerWaalsContact OG-CG 3.32Å; S107-D110 PolarHBondContact OG-N 2.88Å; S107-D110 VanDerWaalsContact OG-N 3.16Å; S107-D110 PolarHBondContact OG-OD2 3.43Å; S107-S111 PolarHBondContact O-N 3.46Å | ||
| 108 | T | 88.3 | Confident | 92.4 | Very high | 57 Ų | 57 | 33 Ų | 33 | 35% | 0.35 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -60.4 | -34.3 | 173.4 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | S111 L133 F181 | T108-S111 WeakPolarHBondContact O-CB 3.35Å; T108-S111 PolarHBondContact O-N 3.02Å; T108-S111 PolarHBondContact O-OG 2.89Å; T108-L133 HydrophobicContact CG2-CB 4.34Å; T108-L133 HydrophobicContact CG2-CD2 3.94Å; T108-F181 HydrophobicContact CG2-CE2 3.8Å; T108-F181 HydrophobicContact CG2-CZ 4.25Å |
| 109 | K | 89.4 | Confident | 92.3 | Very high | 104 Ų | 104 | 39.1 Ų | 39.1 | 45% | 0.452 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -39 | -179 | -61.7 | -173.3 | -178.3 | -117.2 | 0 | 112.1 | K98 S107 S111 D128 | K98-K109 PolarHBondContact NZ-O 3.49Å; S107-K109 VanDerWaalsContact C-N 3.25Å; S107-K109 PolarHBondContact O-N 3.45Å; S107-K109 PolarHBondContact OG-N 2.97Å; K109-S111 PolarHBondContact O-N 3.19Å; K109-D128 WeakPolarHBondContact CE-OD1 3.27Å; K109-D128 IonicContact NZ-OD1 2.74Å; K109-D128 PolarHBondContact NZ-OD1 2.88Å; K109-D128 IonicContact NZ-OD2 3.89Å; K109-D128 PolarHBondContact NZ-OD2 2.87Å |
| 110 | D | 92.3 | Very high | 92.2 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 25% | 0.251 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -0.6 | 179.1 | -50.2 | -57.3 | 0 | 0 | 0 | 112.3 | K98 F102 S105 S107 | K98-D110 WeakPolarHBondContact CB-O 3.25Å; F102-D110 HydrophobicContact CB-CB 4.25Å; F102-D110 HydrophobicContact CD2-CB 4.33Å; S105-D110 VanDerWaalsContact CB-OD2 3.25Å; S105-D110 WeakPolarHBondContact CB-OD2 3.46Å; S105-D110 WeakPolarHBondContact OG-CB 3.29Å; S105-D110 VanDerWaalsContact OG-CG 3.29Å; S105-D110 PolarHBondContact OG-OD2 2.87Å; S107-D110 WeakPolarHBondContact CB-OD2 3.24Å; S107-D110 PolarHBondContact O-N 3.46Å; S107-D110 VanDerWaalsContact OG-CG 3.32Å; S107-D110 PolarHBondContact OG-N 2.88Å; S107-D110 VanDerWaalsContact OG-N 3.16Å; S107-D110 PolarHBondContact OG-OD2 3.43Å |
| 111 | S | 94.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -71.3 | 147.7 | 178.9 | 74.7 | 0 | 0 | 0 | 0 | 113.4 | K98 S107 T108 K109 L133 Y171 | K98-S111 WeakPolarHBondContact CD-O 3.39Å; K98-S111 PolarHBondContact NZ-O 2.83Å; S107-S111 PolarHBondContact O-N 3.46Å; T108-S111 WeakPolarHBondContact O-CB 3.35Å; T108-S111 PolarHBondContact O-N 3.02Å; T108-S111 PolarHBondContact O-OG 2.89Å; K109-S111 PolarHBondContact O-N 3.19Å; S111-L133 PolarHBondContact OG-N 3.01Å; S111-Y171 WeakPolarHBondContact CA-OH 3.46Å; S111-Y171 WeakPolarHBondContact CB-OH 3.37Å |
| 112 | L | 96.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 141.7 | 169.4 | -73.4 | 176 | 0 | 0 | 0 | 111.1 | Q95 V99 A114 L168 Y171 | Q95-L112 HydrophobicContact CB-CD2 3.6Å; Q95-L112 HydrophobicContact CG-CD2 4.44Å; V99-L112 HydrophobicContact CG2-CD1 4.1Å; V99-L112 HydrophobicContact CG2-CD2 3.79Å; V99-L112 HydrophobicContact CG2-CG 4.15Å; L112-A114 PolarHBondContact O-N 2.7Å; L112-L168 HydrophobicContact CD1-CD2 3.76Å; L112-Y171 HydrophobicContact CB-CE2 4.47Å; L112-Y171 HydrophobicContact CD1-CE1 4.4Å; L112-Y171 HydrophobicContact CD1-CE2 4.21Å; L112-Y171 HydrophobicContact CG-CE2 3.93Å; L112-Y171 PolarHBondContact N-OH 2.88Å |
| 113 | H | 95.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 127.2 | 175.3 | -81.5 | -127.5 | 0 | 0 | 0 | 111.7 | Q95 K115 Y116 T123 V125 D127 H132 | Q95-H113 PolarHBondContact OE1-CD2 2.94Å; H113-K115 PolarHBondContact O-N 3Å; H113-Y116 HydrophobicContact CB-CE1 3.96Å; H113-Y116 WeakPolarHBondContact O-CE2 3.42Å; H113-Y116 PolarHBondContact O-OH 3.15Å; H113-T123 HydrophobicContact CB-CG2 4.04Å; H113-T123 VanDerWaalsContact CG-CG2 3.45Å; H113-T123 WeakPolarHBondContact ND1-CB 3.36Å; H113-T123 WeakPolarHBondContact ND1-CG2 3.47Å; H113-V125 PolarHBondContact CE1-O 3.33Å; H113-V125 VanDerWaalsContact CE1-O 3.29Å; H113-D127 IonicContact CD2-OD1 2.76Å; H113-D127 IonicContact CE1-OD1 3.91Å; H113-D127 IonicContact NE2-OD1 2.84Å; H113-D127 PolarHBondContact NE2-OD1 3.15Å; H113-H132 AromaticContact CE1-CD2 3.7Å; H113-H132 AromaticContact CE1-CE1 3.58Å; H113-H132 AromaticContact CE1-NE2 3.22Å; H113-H132 PolarHBondContact CE1-NE2 2.9Å; H113-H132 AromaticContact CG-CE1 3.75Å; H113-H132 AromaticContact CG-ND1 3.83Å; H113-H132 AromaticContact ND1-CD2 4Å; H113-H132 AromaticContact ND1-CE1 3.19Å; H113-H132 PolarHBondContact ND1-CE1 2.94Å; H113-H132 AromaticContact ND1-ND1 3.75Å; H113-H132 AromaticContact ND1-NE2 3.36Å; H113-H132 PolarHBondContact ND1-NE2 3.09Å; H113-H132 AromaticContact NE2-CD2 3.89Å; H113-H132 AromaticContact NE2-NE2 3.89Å |
| 114 | A | 92.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -69.7 | -15.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115 | W43 V44 L112 Q134 | W43-A114 WeakPolarHBondContact CA-O 3.36Å; V44-A114 PolarHBondContact N-O 3Å; L112-A114 PolarHBondContact O-N 2.7Å; A114-Q134 HydrophobicContact CB-CB 4.12Å; A114-Q134 VanDerWaalsContact CB-CD 3.4Å; A114-Q134 HydrophobicContact CB-CG 4.15Å; A114-Q134 VanDerWaalsContact CB-NE2 3.33Å |
| 115 | K | 94.1 | Very high | 92.6 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 6% | 0.057 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 145.9 | -174.4 | 66.3 | -176.7 | -177 | -179.7 | 0 | 113.6 | A42 W43 H113 V124 W130 | A42-K115 CarbonylContact O-C 3.44Å; A42-K115 WeakPolarHBondContact O-CA 3.49Å; W43-K115 HydrophobicContact CD2-CB 3.69Å; W43-K115 HydrophobicContact CD2-CD 4.08Å; W43-K115 VanDerWaalsContact CE2-CD 3.48Å; W43-K115 HydrophobicContact CE3-CB 4.13Å; W43-K115 HydrophobicContact CE3-CD 4.47Å; W43-K115 HydrophobicContact CG-CB 3.85Å; W43-K115 HydrophobicContact CH2-CD 3.93Å; W43-K115 HydrophobicContact CZ2-CD 3.42Å; W43-K115 VanDerWaalsContact CZ2-CD 3.42Å; W43-K115 HydrophobicContact CZ3-CD 4.41Å; H113-K115 PolarHBondContact O-N 3Å; K115-V124 HydrophobicContact CD-CG2 4.34Å; K115-V124 HydrophobicContact CG-CG2 3.9Å; K115-W130 VanDerWaalsContact NZ-CZ2 3.28Å; K115-W130 VanDerWaalsContact NZ-CZ3 3.32Å |
| 116 | Y | 96 | Very high | 92.6 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 159.4 | -169.3 | -61.8 | -78.3 | 0 | 0 | 0 | 113.4 | D41 A42 V44 C91 Q95 H113 T118 A122 | D41-Y116 CarbonylContact C-O 3.58Å; D41-Y116 WeakPolarHBondContact CA-O 3.38Å; D41-Y116 WeakPolarHBondContact CB-O 3.41Å; A42-Y116 PolarHBondContact N-O 3.37Å; A42-Y116 PolarHBondContact O-N 3.19Å; V44-Y116 HydrophobicContact CG2-CD2 4.21Å; V44-Y116 HydrophobicContact CG2-CE2 3.66Å; C91-Y116 HydrophobicContact CB-CD1 3.62Å; C91-Y116 HydrophobicContact CB-CD2 3.71Å; C91-Y116 HydrophobicContact CB-CE1 3.62Å; C91-Y116 HydrophobicContact CB-CE2 3.73Å; C91-Y116 HydrophobicContact CB-CG 3.65Å; C91-Y116 VanDerWaalsContact SG-CG 3.54Å; Q95-Y116 VanDerWaalsContact NE2-CE1 3.28Å; Q95-Y116 PolarHBondContact NE2-OH 3.33Å; H113-Y116 HydrophobicContact CB-CE1 3.96Å; H113-Y116 WeakPolarHBondContact O-CE2 3.42Å; H113-Y116 PolarHBondContact O-OH 3.15Å; Y116-T118 PolarHBondContact O-N 3.11Å; Y116-A122 CarbonylContact C-O 3.59Å; Y116-A122 WeakPolarHBondContact CA-O 3.49Å |
| 117 | N | 95.9 | Very high | 92.6 | Very high | 46 Ų | 46 | 41 Ų | 41 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 114.4 | 170.9 | -171.4 | -86.7 | 0 | 0 | 0 | 110.5 | K119 T120 C121 A122 V124 | N117-K119 PolarHBondContact O-N 3.37Å; N117-K119 PolarHBondContact OD1-N 2.84Å; N117-T120 WeakPolarHBondContact CB-OG1 3.28Å; N117-T120 PolarHBondContact O-N 2.95Å; N117-T120 VanDerWaalsContact O-N 3.16Å; N117-T120 PolarHBondContact OD1-N 3.25Å; N117-T120 VanDerWaalsContact OD1-N 3.14Å; N117-T120 PolarHBondContact OD1-OG1 3.31Å; N117-C121 PolarHBondContact O-N 2.9Å; N117-A122 PolarHBondContact N-O 3.26Å; N117-V124 HydrophobicContact CB-CG1 3.62Å; N117-V124 VanDerWaalsContact N-CG1 3.29Å |
| 118 | T | 94.5 | Very high | 92.4 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -26 | -178.1 | -55.9 | 0 | 0 | 0 | 0 | 114.2 | N27 T30 L32 K40 A42 Y116 | N27-T118 HydrophobicContact CB-CG2 4.1Å; N27-T118 PolarHBondContact ND2-O 3.5Å; N27-T118 VanDerWaalsContact ND2-O 3.07Å; T30-T118 PolarHBondContact OG1-O 2.98Å; L32-T118 HydrophobicContact CB-CG2 4.03Å; K40-T118 VanDerWaalsContact O-CB 3.28Å; K40-T118 WeakPolarHBondContact O-CB 3.44Å; K40-T118 PolarHBondContact O-OG1 2.87Å; A42-T118 WeakPolarHBondContact CB-OG1 3.34Å; A42-T118 PolarHBondContact N-OG1 3.13Å; Y116-T118 PolarHBondContact O-N 3.11Å |
| 119 | K | 93.9 | Very high | 92.1 | Very high | 161 Ų | 161 | 48.4 Ų | 48.4 | 70% | 0.7 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -32.5 | -179.4 | -63.6 | -175.3 | 179.8 | -178.1 | 0 | 114.5 | T30 N117 | T30-K119 WeakPolarHBondContact CG2-O 3.49Å; N117-K119 PolarHBondContact O-N 3.37Å; N117-K119 PolarHBondContact OD1-N 2.84Å |
| 120 | T | 94.3 | Very high | 91.9 | Very high | 77 Ų | 77 | 47.6 Ų | 47.6 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -10.4 | -168.8 | 65.1 | 0 | 0 | 0 | 0 | 114.6 | R94 N117 A122 | R94-T120 PolarHBondContact NH1-O 3.43Å; N117-T120 WeakPolarHBondContact CB-OG1 3.28Å; N117-T120 PolarHBondContact O-N 2.95Å; N117-T120 VanDerWaalsContact O-N 3.16Å; N117-T120 PolarHBondContact OD1-N 3.25Å; N117-T120 VanDerWaalsContact OD1-N 3.14Å; N117-T120 PolarHBondContact OD1-OG1 3.31Å; T120-A122 PolarHBondContact O-N 3.33Å; T120-A122 WeakPolarHBondContact OG1-CB 3.28Å |
| 121 | C | 94.9 | Very high | 91.4 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.034 | 25% | 0.25 | C | C | . | . | trans | 56.1 | 33.9 | -171.6 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | C91 R94 N117 | C91-C121 WeakPolarHBondContact SG-CB 3.48Å; C91-C121 VanDerWaalsContact SG-SG 3.63Å; R94-C121 VanDerWaalsContact CD-O 3.25Å; R94-C121 WeakPolarHBondContact CD-O 3.36Å; R94-C121 PolarHBondContact NH1-O 2.9Å; N117-C121 PolarHBondContact O-N 2.9Å | ||
| 122 | A | 94.8 | Very high | 91.1 | Very high | 38 Ų | 38 | 46 Ų | 46 | 31% | 0.314 | 25% | 0.251 | S | S | . | . | trans | -100.6 | 161.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y116 N117 T120 | Y116-A122 CarbonylContact C-O 3.59Å; Y116-A122 WeakPolarHBondContact CA-O 3.49Å; N117-A122 PolarHBondContact N-O 3.26Å; T120-A122 PolarHBondContact O-N 3.33Å; T120-A122 WeakPolarHBondContact OG1-CB 3.28Å | ||
| 123 | T | 93.6 | Very high | 91 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 42% | 0.417 | 25% | 0.25 | S | C | . | . | B | Isolated β-bridge | trans | -64.4 | 154.2 | 164.7 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | H113 | H113-T123 HydrophobicContact CB-CG2 4.04Å; H113-T123 VanDerWaalsContact CG-CG2 3.45Å; H113-T123 WeakPolarHBondContact ND1-CB 3.36Å; H113-T123 WeakPolarHBondContact ND1-CG2 3.47Å |
| 124 | V | 93.4 | Very high | 91 | Very high | 44 Ų | 44 | 45.8 Ų | 45.8 | 27% | 0.267 | 25% | 0.25 | S | C | . | . | trans | -120 | -6.5 | -172.2 | -70.8 | 0 | 0 | 0 | 0 | 114.3 | D41 K115 N117 | D41-V124 HydrophobicContact CB-CG2 4.47Å; K115-V124 HydrophobicContact CD-CG2 4.34Å; K115-V124 HydrophobicContact CG-CG2 3.9Å; N117-V124 HydrophobicContact CB-CG1 3.62Å; N117-V124 VanDerWaalsContact N-CG1 3.29Å | ||
| 125 | V | 89.8 | Confident | 91.2 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 26% | 0.261 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -147.4 | 170.6 | 178.3 | -80 | 0 | 0 | 0 | 0 | 108.2 | H113 Q129 W130 H132 | H113-V125 PolarHBondContact CE1-O 3.33Å; H113-V125 VanDerWaalsContact CE1-O 3.29Å; V125-Q129 HydrophobicContact CB-CB 4.31Å; V125-W130 HydrophobicContact CG2-CB 4.14Å; V125-H132 WeakPolarHBondContact CG2-CE1 3.45Å; V125-H132 WeakPolarHBondContact CG2-NE2 3.43Å |
| 126 | G | 87.7 | Confident | 91.3 | Very high | 28 Ų | 28 | 45.2 Ų | 45.2 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | trans | -86.6 | 161.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D128 Q129 | G126-D128 VanDerWaalsContact C-N 3.32Å; G126-D128 PolarHBondContact O-N 3.01Å; G126-Q129 VanDerWaalsContact O-CB 3.32Å; G126-Q129 WeakPolarHBondContact O-CB 3.36Å; G126-Q129 PolarHBondContact O-N 3.47Å | ||
| 127 | D | 86.3 | Confident | 91.4 | Very high | 67 Ų | 67 | 45.2 Ų | 45.2 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -36.9 | -171.7 | -61.8 | -33.1 | 0 | 0 | 0 | 114.5 | K98 H113 Q129 | K98-D127 IonicContact NZ-OD1 3.41Å; K98-D127 PolarHBondContact NZ-OD1 2.79Å; K98-D127 IonicContact NZ-OD2 2.71Å; K98-D127 PolarHBondContact NZ-OD2 3.25Å; H113-D127 IonicContact CD2-OD1 2.76Å; H113-D127 IonicContact CE1-OD1 3.91Å; H113-D127 IonicContact NE2-OD1 2.84Å; H113-D127 PolarHBondContact NE2-OD1 3.15Å; D127-Q129 VanDerWaalsContact C-N 3.34Å |
| 128 | D | 83.3 | Confident | 91.4 | Very high | 116 Ų | 116 | 43.4 Ų | 43.4 | 62% | 0.62 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 8.4 | 177.3 | -67.2 | -57.2 | 0 | 0 | 0 | 113.6 | K109 G126 | K109-D128 WeakPolarHBondContact CE-OD1 3.27Å; K109-D128 IonicContact NZ-OD1 2.74Å; K109-D128 PolarHBondContact NZ-OD1 2.88Å; K109-D128 IonicContact NZ-OD2 3.89Å; K109-D128 PolarHBondContact NZ-OD2 2.87Å; G126-D128 VanDerWaalsContact C-N 3.32Å; G126-D128 PolarHBondContact O-N 3.01Å |
| 129 | Q | 82.1 | Confident | 91.6 | Very high | 130 Ų | 130 | 42.8 Ų | 42.8 | 61% | 0.607 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -104.5 | -8.9 | -171.7 | -60.8 | -175.2 | -25 | 0 | 0 | 115.1 | V125 G126 D127 | V125-Q129 HydrophobicContact CB-CB 4.31Å; G126-Q129 VanDerWaalsContact O-CB 3.32Å; G126-Q129 WeakPolarHBondContact O-CB 3.36Å; G126-Q129 PolarHBondContact O-N 3.47Å; D127-Q129 VanDerWaalsContact C-N 3.34Å |
| 130 | W | 84.4 | Confident | 91.8 | Very high | 87 Ų | 87 | 35.2 Ų | 35.2 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -155.2 | 155.5 | -177.2 | -169.6 | -90.7 | 0 | 0 | 0 | 110.9 | W43 K115 V125 H132 E185 | W43-W130 HydrophobicContact CZ2-CZ2 4.06Å; K115-W130 VanDerWaalsContact NZ-CZ2 3.28Å; K115-W130 VanDerWaalsContact NZ-CZ3 3.32Å; V125-W130 HydrophobicContact CG2-CB 4.14Å; W130-H132 AromaticContact CD1-ND1 3.92Å; W130-H132 PolarHBondContact O-CD2 2.91Å; W130-H132 PolarHBondContact O-N 3.29Å; W130-E185 PolarHBondContact NE1-OE2 3.11Å |
| 131 | G | 82.2 | Confident | 92.1 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | trans | -70.9 | 68 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q134 F181 | G131-Q134 PolarHBondContact O-NE2 3.17Å; G131-F181 VanDerWaalsContact C-CD2 3.44Å; G131-F181 VanDerWaalsContact CA-CG 3.45Å | ||
| 132 | H | 87.9 | Confident | 92.2 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 2% | 0.023 | 18% | 0.177 | C | C | . | . | trans | -73.6 | -31.9 | -173.2 | -75.7 | -58.6 | 0 | 0 | 0 | 114.9 | H113 V125 W130 Q134 | H113-H132 AromaticContact CE1-CD2 3.7Å; H113-H132 AromaticContact CE1-CE1 3.58Å; H113-H132 AromaticContact CE1-NE2 3.22Å; H113-H132 PolarHBondContact CE1-NE2 2.9Å; H113-H132 AromaticContact CG-CE1 3.75Å; H113-H132 AromaticContact CG-ND1 3.83Å; H113-H132 AromaticContact ND1-CD2 4Å; H113-H132 AromaticContact ND1-CE1 3.19Å; H113-H132 PolarHBondContact ND1-CE1 2.94Å; H113-H132 AromaticContact ND1-ND1 3.75Å; H113-H132 AromaticContact ND1-NE2 3.36Å; H113-H132 PolarHBondContact ND1-NE2 3.09Å; H113-H132 AromaticContact NE2-CD2 3.89Å; H113-H132 AromaticContact NE2-NE2 3.89Å; V125-H132 WeakPolarHBondContact CG2-CE1 3.45Å; V125-H132 WeakPolarHBondContact CG2-NE2 3.43Å; W130-H132 AromaticContact CD1-ND1 3.92Å; W130-H132 PolarHBondContact O-CD2 2.91Å; W130-H132 PolarHBondContact O-N 3.29Å; H132-Q134 VanDerWaalsContact C-N 3.31Å; H132-Q134 PolarHBondContact O-N 2.83Å | ||
| 133 | L | 94.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | trans | -66.7 | 91.1 | 177.5 | 178.8 | 48.9 | 0 | 0 | 0 | 109.5 | F102 T108 S111 L135 T178 D180 F181 | F102-L133 HydrophobicContact CE2-CD1 3.75Å; F102-L133 HydrophobicContact CE2-CD2 4.29Å; F102-L133 HydrophobicContact CZ-CD1 3.62Å; T108-L133 HydrophobicContact CG2-CB 4.34Å; T108-L133 HydrophobicContact CG2-CD2 3.94Å; S111-L133 PolarHBondContact OG-N 3.01Å; L133-L135 HydrophobicContact CD1-CD2 3.7Å; L133-L135 HydrophobicContact CD1-CG 3.97Å; L133-T178 HydrophobicContact CD2-CG2 4.2Å; L133-D180 HydrophobicContact CG-CB 3.97Å; L133-D180 WeakPolarHBondContact O-CB 3.39Å; L133-F181 HydrophobicContact CB-CD2 3.96Å; L133-F181 HydrophobicContact CB-CE2 4.21Å; L133-F181 WeakPolarHBondContact O-CD2 3.38Å; L133-F181 PolarHBondContact O-N 2.98Å | ||
| 134 | Q | 95.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | trans | -128.5 | 94.1 | -178.3 | -75.5 | 176.5 | 45.3 | 0 | 0 | 107.5 | A114 G131 H132 D136 A137 F181 E185 | A114-Q134 HydrophobicContact CB-CB 4.12Å; A114-Q134 VanDerWaalsContact CB-CD 3.4Å; A114-Q134 HydrophobicContact CB-CG 4.15Å; A114-Q134 VanDerWaalsContact CB-NE2 3.33Å; G131-Q134 PolarHBondContact O-NE2 3.17Å; H132-Q134 VanDerWaalsContact C-N 3.31Å; H132-Q134 PolarHBondContact O-N 2.83Å; Q134-D136 VanDerWaalsContact C-N 3.31Å; Q134-D136 WeakPolarHBondContact CB-OD1 3.36Å; Q134-A137 HydrophobicContact CB-CB 3.88Å; Q134-A137 PolarHBondContact O-N 3.2Å; Q134-F181 HydrophobicContact CG-CB 4.46Å; Q134-E185 VanDerWaalsContact NE2-CG 3.26Å; Q134-E185 PolarHBondContact NE2-OE2 2.97Å | ||
| 135 | L | 96.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -75.6 | -25.8 | -176.1 | -61.9 | -179.8 | 0 | 0 | 0 | 111 | F102 L133 A137 S139 Y171 A175 T178 D180 | F102-L135 HydrophobicContact CE1-CD2 4.48Å; F102-L135 HydrophobicContact CZ-CD2 4.31Å; L133-L135 HydrophobicContact CD1-CD2 3.7Å; L133-L135 HydrophobicContact CD1-CG 3.97Å; L135-A137 VanDerWaalsContact C-N 3.3Å; L135-A137 PolarHBondContact O-N 3.2Å; L135-S139 WeakPolarHBondContact O-CB 3.31Å; L135-S139 PolarHBondContact O-N 3.2Å; L135-S139 PolarHBondContact O-OG 3.02Å; L135-Y171 HydrophobicContact CD2-CD1 4.19Å; L135-Y171 HydrophobicContact CD2-CE1 3.61Å; L135-A175 HydrophobicContact CD1-CB 3.86Å; L135-T178 HydrophobicContact CD1-CG2 4.17Å; L135-D180 HydrophobicContact CD1-CB 4.4Å; L135-D180 HydrophobicContact CG-CB 4.18Å; L135-D180 PolarHBondContact N-OD2 2.88Å |
| 136 | D | 96.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54.2 | -44.7 | 166.5 | 68.7 | -60.1 | 0 | 0 | 0 | 112 | R45 Q134 S139 V140 I183 | R45-D136 WeakPolarHBondContact CD-OD2 3.41Å; R45-D136 IonicContact CZ-OD2 3.19Å; R45-D136 IonicContact NH1-OD2 2.85Å; R45-D136 PolarHBondContact NH1-OD2 2.86Å; Q134-D136 VanDerWaalsContact C-N 3.31Å; Q134-D136 WeakPolarHBondContact CB-OD1 3.36Å; D136-S139 PolarHBondContact O-N 3.43Å; D136-V140 WeakPolarHBondContact O-CB 3.23Å; D136-V140 WeakPolarHBondContact O-CG1 3.16Å; D136-V140 PolarHBondContact O-N 2.65Å; D136-I183 WeakPolarHBondContact OD2-CA 3.5Å |
| 137 | A | 96.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 2% | 0.017 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.7 | -39 | -172 | 0 | 0 | 0 | 0 | 0 | 112.5 | V44 R45 Q134 L135 | V44-A137 HydrophobicContact CB-CB 4.34Å; V44-A137 VanDerWaalsContact CG1-O 3.25Å; V44-A137 WeakPolarHBondContact CG1-O 3.41Å; R45-A137 HydrophobicContact CB-CB 4.35Å; Q134-A137 HydrophobicContact CB-CB 3.88Å; Q134-A137 PolarHBondContact O-N 3.2Å; L135-A137 VanDerWaalsContact C-N 3.3Å; L135-A137 PolarHBondContact O-N 3.2Å |
| 138 | T | 97.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 18 Ų | 18 | 5% | 0.049 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71.6 | -41 | 173.1 | -54.9 | 0 | 0 | 0 | 0 | 110.6 | Y141 L142 Y171 I172 | T138-Y141 WeakPolarHBondContact O-CB 3.29Å; T138-Y141 PolarHBondContact O-N 2.89Å; T138-L142 HydrophobicContact CG2-CD1 4.33Å; T138-L142 WeakPolarHBondContact O-CG 3.33Å; T138-L142 PolarHBondContact O-N 2.76Å; T138-L142 VanDerWaalsContact O-N 3.12Å; T138-Y171 HydrophobicContact CG2-CD1 4.27Å; T138-I172 HydrophobicContact CG2-CG2 3.87Å |
| 139 | S | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -68.5 | -41.2 | -177.9 | -56.7 | 0 | 0 | 0 | 0 | 113 | L135 D136 Y141 L142 L143 A205 A208 | L135-S139 WeakPolarHBondContact O-CB 3.31Å; L135-S139 PolarHBondContact O-N 3.2Å; L135-S139 PolarHBondContact O-OG 3.02Å; D136-S139 PolarHBondContact O-N 3.43Å; S139-Y141 VanDerWaalsContact C-N 3.29Å; S139-Y141 PolarHBondContact O-N 2.91Å; S139-L142 PolarHBondContact O-N 2.66Å; S139-L142 VanDerWaalsContact O-N 3.15Å; S139-L143 WeakPolarHBondContact O-CB 3.5Å; S139-L143 PolarHBondContact O-N 3.27Å; S139-A205 VanDerWaalsContact OG-CA 3.28Å; S139-A205 WeakPolarHBondContact OG-CA 3.46Å; S139-A205 WeakPolarHBondContact OG-CB 3.45Å; S139-A208 VanDerWaalsContact O-CB 3.3Å; S139-A208 WeakPolarHBondContact O-CB 3.11Å |
| 140 | V | 98.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 1% | 0.012 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66 | -33.9 | 178.2 | 74.3 | 0 | 0 | 0 | 0 | 111.6 | R45 V48 Y49 D136 F144 M204 | R45-V140 HydrophobicContact CB-CG1 4.42Å; V48-V140 HydrophobicContact CB-CG1 4.44Å; V48-V140 HydrophobicContact CG1-CG1 4.42Å; V48-V140 HydrophobicContact CG1-CG2 4.13Å; Y49-V140 HydrophobicContact CE2-CG2 4.04Å; D136-V140 WeakPolarHBondContact O-CB 3.23Å; D136-V140 WeakPolarHBondContact O-CG1 3.16Å; D136-V140 PolarHBondContact O-N 2.65Å; V140-F144 HydrophobicContact CG2-CD2 3.89Å; V140-F144 HydrophobicContact CG2-CE2 4Å; V140-F144 WeakPolarHBondContact O-CD2 3.46Å; V140-F144 PolarHBondContact O-N 3.25Å; V140-F144 VanDerWaalsContact O-N 3.09Å; V140-M204 HydrophobicContact CB-CG 3.92Å; V140-M204 HydrophobicContact CB-SD 3.94Å; V140-M204 HydrophobicContact CG2-SD 3.98Å |
| 141 | Y | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 170.2 | 169.2 | -95.5 | 0 | 0 | 0 | 111.7 | V48 M85 L88 L89 M92 T138 S139 F144 L145 I165 | V48-Y141 HydrophobicContact CG2-CD2 4.15Å; M85-Y141 HydrophobicContact CB-CE2 4.43Å; M85-Y141 HydrophobicContact CE-CD2 3.6Å; M85-Y141 HydrophobicContact CE-CE2 3.6Å; M85-Y141 WeakPolarHBondContact O-CE2 3.44Å; M85-Y141 PolarHBondContact O-OH 2.74Å; M85-Y141 HydrophobicContact SD-CD2 4.13Å; M85-Y141 HydrophobicContact SD-CE2 4.13Å; L88-Y141 HydrophobicContact CB-CD2 4.03Å; L88-Y141 HydrophobicContact CB-CE2 3.88Å; L88-Y141 HydrophobicContact CD1-CD2 3.88Å; L88-Y141 HydrophobicContact CD1-CE2 4.34Å; L89-Y141 WeakPolarHBondContact CB-OH 3.29Å; M92-Y141 HydrophobicContact CE-CD1 3.9Å; M92-Y141 HydrophobicContact CE-CD2 4.49Å; M92-Y141 HydrophobicContact CE-CG 3.89Å; M92-Y141 HydrophobicContact SD-CD1 3.96Å; M92-Y141 HydrophobicContact SD-CE1 4.1Å; T138-Y141 WeakPolarHBondContact O-CB 3.29Å; T138-Y141 PolarHBondContact O-N 2.89Å; S139-Y141 VanDerWaalsContact C-N 3.29Å; S139-Y141 PolarHBondContact O-N 2.91Å; Y141-F144 PolarHBondContact O-N 2.97Å; Y141-L145 HydrophobicContact CE1-CD2 4.22Å; Y141-L145 VanDerWaalsContact O-CB 3.27Å; Y141-L145 WeakPolarHBondContact O-CB 3.4Å; Y141-L145 PolarHBondContact O-N 3.16Å; Y141-I165 HydrophobicContact CE1-CD1 4.32Å |
| 142 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 179.2 | -71.6 | 176.5 | 0 | 0 | 0 | 112.9 | T138 S139 F144 L145 A146 I165 L168 I172 A208 L212 | T138-L142 HydrophobicContact CG2-CD1 4.33Å; T138-L142 WeakPolarHBondContact O-CG 3.33Å; T138-L142 PolarHBondContact O-N 2.76Å; T138-L142 VanDerWaalsContact O-N 3.12Å; S139-L142 PolarHBondContact O-N 2.66Å; S139-L142 VanDerWaalsContact O-N 3.15Å; L142-F144 PolarHBondContact O-N 3.4Å; L142-L145 HydrophobicContact CD2-CD2 4.33Å; L142-L145 WeakPolarHBondContact O-CB 3.41Å; L142-L145 PolarHBondContact O-N 2.88Å; L142-A146 PolarHBondContact O-N 2.8Å; L142-I165 HydrophobicContact CD2-CD1 4.19Å; L142-I165 HydrophobicContact CD2-CG2 4.01Å; L142-L168 HydrophobicContact CD1-CB 4.07Å; L142-L168 HydrophobicContact CD2-CB 4.2Å; L142-L168 HydrophobicContact CD2-CD1 4.16Å; L142-I172 HydrophobicContact CD1-CD1 3.74Å; L142-I172 HydrophobicContact CD1-CG1 4.07Å; L142-I172 HydrophobicContact CD1-CG2 4.29Å; L142-A208 HydrophobicContact CB-CB 3.95Å; L142-L212 HydrophobicContact CB-CD1 3.98Å; L142-L212 HydrophobicContact CD1-CD1 4.31Å; L142-L212 HydrophobicContact CD2-CD1 4.11Å; L142-L212 HydrophobicContact CG-CD1 4.35Å |
| 143 | L | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.3 | -45.1 | 174.8 | 173.6 | 60.3 | 0 | 0 | 0 | 111.8 | S139 A146 Q147 M204 A207 A208 A211 P266 | S139-L143 WeakPolarHBondContact O-CB 3.5Å; S139-L143 PolarHBondContact O-N 3.27Å; L143-A146 WeakPolarHBondContact O-CB 3.39Å; L143-A146 PolarHBondContact O-N 3.06Å; L143-Q147 HydrophobicContact CD1-CG 4.32Å; L143-Q147 WeakPolarHBondContact O-CG 3.44Å; L143-Q147 PolarHBondContact O-N 3.49Å; L143-M204 HydrophobicContact CD2-SD 3.66Å; L143-A207 HydrophobicContact CD1-CB 4.36Å; L143-A207 HydrophobicContact CD2-CB 4.17Å; L143-A208 HydrophobicContact CB-CB 4.18Å; L143-A211 HydrophobicContact CD1-CB 3.73Å; L143-P266 HydrophobicContact CD2-CB 4.11Å; L143-P266 HydrophobicContact CD2-CG 4.17Å |
| 144 | F | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -79.2 | -28.1 | 178 | -81.6 | -68.6 | 0 | 0 | 0 | 113.7 | V48 L52 W55 M85 V140 Y141 L142 A146 Q147 M148 F265 P266 | V48-F144 HydrophobicContact CG1-CB 3.87Å; V48-F144 HydrophobicContact CG1-CD2 3.51Å; V48-F144 HydrophobicContact CG1-CE2 4.4Å; V48-F144 HydrophobicContact CG1-CG 3.99Å; L52-F144 HydrophobicContact CD1-CE1 3.97Å; L52-F144 HydrophobicContact CD1-CE2 3.85Å; L52-F144 HydrophobicContact CD1-CZ 3.43Å; L52-F144 VanDerWaalsContact CD1-CZ 3.43Å; L52-F144 HydrophobicContact CD2-CD1 3.51Å; L52-F144 HydrophobicContact CD2-CD2 4.15Å; L52-F144 HydrophobicContact CD2-CE1 3.43Å; L52-F144 VanDerWaalsContact CD2-CE1 3.43Å; L52-F144 HydrophobicContact CD2-CE2 4.05Å; L52-F144 HydrophobicContact CD2-CG 3.88Å; L52-F144 HydrophobicContact CD2-CZ 3.7Å; L52-F144 HydrophobicContact CG-CE1 4.35Å; L52-F144 HydrophobicContact CG-CZ 4.22Å; W55-F144 HydrophobicContact CZ3-CD1 4.1Å; W55-F144 AromaticContact CZ3-CE1 3.95Å; W55-F144 HydrophobicContact CZ3-CE1 3.95Å; M85-F144 HydrophobicContact CE-CB 4.32Å; V140-F144 HydrophobicContact CG2-CD2 3.89Å; V140-F144 HydrophobicContact CG2-CE2 4Å; V140-F144 WeakPolarHBondContact O-CD2 3.46Å; V140-F144 PolarHBondContact O-N 3.25Å; V140-F144 VanDerWaalsContact O-N 3.09Å; Y141-F144 PolarHBondContact O-N 2.97Å; L142-F144 PolarHBondContact O-N 3.4Å; F144-A146 VanDerWaalsContact C-N 3.26Å; F144-A146 PolarHBondContact O-N 3.16Å; F144-Q147 HydrophobicContact CD1-CB 4.45Å; F144-M148 HydrophobicContact CB-CE 4.22Å; F144-M148 HydrophobicContact CD1-CE 4.4Å; F144-M148 WeakPolarHBondContact O-CB 3.4Å; F144-M148 WeakPolarHBondContact O-CG 3.4Å; F144-M148 PolarHBondContact O-N 3.08Å; F144-F265 HydrophobicContact CE1-CZ 4.29Å; F144-F265 HydrophobicContact CZ-CE2 4.45Å; F144-F265 AromaticContact CZ-CZ 3.87Å; F144-F265 HydrophobicContact CZ-CZ 3.87Å; F144-P266 HydrophobicContact CE2-CB 3.75Å; F144-P266 HydrophobicContact CE2-CG 3.94Å; F144-P266 HydrophobicContact CZ-CB 3.51Å; F144-P266 HydrophobicContact CZ-CG 4.18Å |
| 145 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -55.3 | -46.7 | 166 | 175.8 | 65 | 0 | 0 | 0 | 110.1 | M85 Y141 L142 T149 I155 I156 I165 L217 | M85-L145 HydrophobicContact CE-CB 4.35Å; Y141-L145 HydrophobicContact CE1-CD2 4.22Å; Y141-L145 VanDerWaalsContact O-CB 3.27Å; Y141-L145 WeakPolarHBondContact O-CB 3.4Å; Y141-L145 PolarHBondContact O-N 3.16Å; L142-L145 HydrophobicContact CD2-CD2 4.33Å; L142-L145 WeakPolarHBondContact O-CB 3.41Å; L142-L145 PolarHBondContact O-N 2.88Å; L145-T149 VanDerWaalsContact O-CB 3.28Å; L145-T149 WeakPolarHBondContact O-CB 3.33Å; L145-T149 PolarHBondContact O-N 2.96Å; L145-T149 PolarHBondContact O-OG1 3.24Å; L145-I155 HydrophobicContact CD1-CB 3.79Å; L145-I155 HydrophobicContact CD1-CD1 4.07Å; L145-I155 HydrophobicContact CD1-CG2 3.56Å; L145-I156 HydrophobicContact CD1-CD1 3.95Å; L145-I156 HydrophobicContact CD1-CG1 4.05Å; L145-I156 HydrophobicContact CD2-CD1 4.15Å; L145-I156 HydrophobicContact CD2-CG1 4.45Å; L145-I165 HydrophobicContact CD2-CD1 3.64Å; L145-I165 HydrophobicContact CD2-CG1 4.02Å; L145-I165 HydrophobicContact CD2-CG2 4.23Å; L145-L217 HydrophobicContact CD2-CD2 4.3Å; L145-L217 HydrophobicContact CG-CD2 4.43Å |
| 146 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.6 | -56.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L142 L143 F144 M148 T149 A150 A211 L212 L215 L426 | L142-A146 PolarHBondContact O-N 2.8Å; L143-A146 WeakPolarHBondContact O-CB 3.39Å; L143-A146 PolarHBondContact O-N 3.06Å; F144-A146 VanDerWaalsContact C-N 3.26Å; F144-A146 PolarHBondContact O-N 3.16Å; A146-M148 VanDerWaalsContact C-N 3.32Å; A146-M148 PolarHBondContact O-N 2.92Å; A146-T149 PolarHBondContact O-N 3.06Å; A146-A150 WeakPolarHBondContact O-CB 3.23Å; A146-A150 PolarHBondContact O-N 2.86Å; A146-A211 HydrophobicContact CB-CB 3.76Å; A146-A211 WeakPolarHBondContact CB-O 3.38Å; A146-L212 HydrophobicContact CB-CD2 4.01Å; A146-L212 HydrophobicContact CB-CG 4.38Å; A146-L215 HydrophobicContact CB-CD2 3.66Å; A146-L426 HydrophobicContact CB-CD1 3.89Å |
| 147 | Q | 97.6 | Very high | 97 | Very high | 5 Ų | 5 | 15.7 Ų | 15.7 | 2% | 0.023 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.4 | -38.4 | -179.6 | -64.9 | -80.6 | 27.3 | 0 | 0 | 112.4 | W55 L143 F144 S151 D424 P425 L426 | W55-Q147 HydrophobicContact CH2-CB 4.13Å; L143-Q147 HydrophobicContact CD1-CG 4.32Å; L143-Q147 WeakPolarHBondContact O-CG 3.44Å; L143-Q147 PolarHBondContact O-N 3.49Å; F144-Q147 HydrophobicContact CD1-CB 4.45Å; Q147-S151 PolarHBondContact O-N 3.16Å; Q147-D424 PolarHBondContact NE2-OD1 3.11Å; Q147-P425 WeakPolarHBondContact O-CG 3.21Å; Q147-L426 HydrophobicContact CG-CD1 4.28Å |
| 148 | M | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.7 | -39.8 | 176.4 | -72.1 | 176 | -174.5 | 0 | 0 | 112.1 | I51 L52 W55 V81 M85 F144 A146 S151 G152 L153 I155 | I51-M148 HydrophobicContact CG2-CE 3.97Å; L52-M148 HydrophobicContact CD2-CE 3.91Å; W55-M148 HydrophobicContact CB-CE 4.27Å; W55-M148 HydrophobicContact CD2-CE 4.1Å; W55-M148 HydrophobicContact CD2-CG 4.02Å; W55-M148 HydrophobicContact CE3-CE 4.18Å; W55-M148 HydrophobicContact CG-CE 4.17Å; W55-M148 HydrophobicContact CG-CG 4.34Å; W55-M148 HydrophobicContact CZ2-CG 4.08Å; V81-M148 HydrophobicContact CG1-CE 3.86Å; V81-M148 HydrophobicContact CG1-SD 3.56Å; V81-M148 VanDerWaalsContact CG1-SD 3.56Å; M85-M148 HydrophobicContact CE-SD 4.19Å; M85-M148 HydrophobicContact CG-SD 3.9Å; M85-M148 HydrophobicContact SD-SD 4.33Å; F144-M148 HydrophobicContact CB-CE 4.22Å; F144-M148 HydrophobicContact CD1-CE 4.4Å; F144-M148 WeakPolarHBondContact O-CB 3.4Å; F144-M148 WeakPolarHBondContact O-CG 3.4Å; F144-M148 PolarHBondContact O-N 3.08Å; A146-M148 VanDerWaalsContact C-N 3.32Å; A146-M148 PolarHBondContact O-N 2.92Å; M148-S151 CarbonylContact O-C 3.41Å; M148-S151 WeakPolarHBondContact O-CA 3.45Å; M148-S151 PolarHBondContact O-N 2.95Å; M148-S151 VanDerWaalsContact O-N 3.16Å; M148-S151 PolarHBondContact O-OG 3.45Å; M148-G152 PolarHBondContact O-N 3.18Å; M148-L153 HydrophobicContact CB-CB 4.35Å; M148-L153 HydrophobicContact CB-CD1 4.14Å; M148-L153 HydrophobicContact CG-CD1 4.31Å; M148-L153 WeakPolarHBondContact O-CB 3.38Å; M148-L153 PolarHBondContact O-N 3.05Å; M148-I155 HydrophobicContact CB-CD1 3.7Å; M148-I155 HydrophobicContact SD-CD1 4.12Å |
| 149 | T | 97.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 176.5 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | L145 A146 S151 G152 | L145-T149 VanDerWaalsContact O-CB 3.28Å; L145-T149 WeakPolarHBondContact O-CB 3.33Å; L145-T149 PolarHBondContact O-N 2.96Å; L145-T149 PolarHBondContact O-OG1 3.24Å; A146-T149 PolarHBondContact O-N 3.06Å; T149-S151 VanDerWaalsContact C-N 3.27Å; T149-S151 PolarHBondContact O-N 3.11Å; T149-G152 WeakPolarHBondContact O-CA 3.48Å; T149-G152 PolarHBondContact O-N 3.1Å |
| 150 | A | 95.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 22 Ų | 22 | 36% | 0.355 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -61.3 | -32 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A146 G152 P425 L426 | A146-A150 WeakPolarHBondContact O-CB 3.23Å; A146-A150 PolarHBondContact O-N 2.86Å; A150-G152 PolarHBondContact O-N 3.39Å; A150-P425 HydrophobicContact CB-CB 4.17Å; A150-P425 HydrophobicContact CB-CG 3.94Å; A150-L426 HydrophobicContact CB-CD2 3.76Å; A150-L426 HydrophobicContact CB-CG 3.97Å |
| 151 | S | 94.4 | Very high | 96.5 | Very high | 17 Ų | 17 | 23 Ų | 23 | 12% | 0.119 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 1.4 | 170.4 | 83.7 | 0 | 0 | 0 | 0 | 114.6 | W55 R62 Q147 M148 T149 | W55-S151 PolarHBondContact NE1-OG 3.08Å; R62-S151 PolarHBondContact NH1-O 3.04Å; Q147-S151 PolarHBondContact O-N 3.16Å; M148-S151 CarbonylContact O-C 3.41Å; M148-S151 WeakPolarHBondContact O-CA 3.45Å; M148-S151 PolarHBondContact O-N 2.95Å; M148-S151 VanDerWaalsContact O-N 3.16Å; M148-S151 PolarHBondContact O-OG 3.45Å; T149-S151 VanDerWaalsContact C-N 3.27Å; T149-S151 PolarHBondContact O-N 3.11Å |
| 152 | G | 93.4 | Very high | 96.4 | Very high | 54 Ų | 54 | 23.3 Ų | 23.3 | 56% | 0.557 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 16.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | M148 T149 A150 | M148-G152 PolarHBondContact O-N 3.18Å; T149-G152 WeakPolarHBondContact O-CA 3.48Å; T149-G152 PolarHBondContact O-N 3.1Å; A150-G152 PolarHBondContact O-N 3.39Å |
| 153 | L | 95.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | trans | -82.8 | 124.3 | 170.6 | -64.8 | -171.8 | 0 | 0 | 0 | 111 | E78 V81 V82 M148 I155 | E78-L153 HydrophobicContact CB-CD2 3.82Å; E78-L153 HydrophobicContact CG-CD2 3.92Å; V81-L153 HydrophobicContact CB-CD1 4.19Å; V81-L153 HydrophobicContact CG1-CD1 3.78Å; V82-L153 HydrophobicContact CG2-CB 4.19Å; V82-L153 HydrophobicContact CG2-CD1 4.42Å; V82-L153 HydrophobicContact CG2-CD2 4.41Å; M148-L153 HydrophobicContact CB-CB 4.35Å; M148-L153 HydrophobicContact CB-CD1 4.14Å; M148-L153 HydrophobicContact CG-CD1 4.31Å; M148-L153 WeakPolarHBondContact O-CB 3.38Å; M148-L153 PolarHBondContact O-N 3.05Å; L153-I155 HydrophobicContact CB-CD1 4.34Å; L153-I155 HydrophobicContact CB-CG1 4.23Å; L153-I155 PolarHBondContact O-N 3.06Å | ||
| 154 | H | 94.1 | Very high | 96.2 | Very high | 89 Ų | 89 | 25.1 Ų | 25.1 | 41% | 0.412 | 15% | 0.15 | S | C | . | . | trans | -86.1 | 93.8 | 178.1 | -174.1 | -81.8 | 0 | 0 | 0 | 110.2 | I156 H157 | H154-I156 PolarHBondContact CE1-O 3.35Å; H154-I156 VanDerWaalsContact CE1-O 3.29Å; H154-H157 AromaticContact CE1-CD2 3.4Å; H154-H157 PolarHBondContact CE1-CD2 3.45Å; H154-H157 VanDerWaalsContact CE1-CD2 3.4Å; H154-H157 AromaticContact CE1-NE2 3.9Å; H154-H157 AromaticContact ND1-CD2 3.28Å; H154-H157 PolarHBondContact ND1-CD2 3.13Å; H154-H157 VanDerWaalsContact ND1-CD2 3.28Å; H154-H157 AromaticContact ND1-NE2 3.39Å; H154-H157 PolarHBondContact ND1-NE2 3.42Å | ||
| 155 | I | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -99.9 | -38.8 | -175.3 | -61.6 | 170.8 | 0 | 0 | 0 | 112.2 | V82 M85 R86 L145 M148 L153 H157 | V82-I155 HydrophobicContact CG2-CG1 4.15Å; M85-I155 HydrophobicContact CB-CD1 4.16Å; M85-I155 HydrophobicContact CB-CG2 3.9Å; M85-I155 HydrophobicContact CG-CD1 4.25Å; R86-I155 VanDerWaalsContact CD-O 3.29Å; R86-I155 WeakPolarHBondContact CD-O 3.36Å; R86-I155 HydrophobicContact CG-CG2 4.06Å; R86-I155 VanDerWaalsContact CG-O 3.31Å; R86-I155 WeakPolarHBondContact CG-O 3.39Å; R86-I155 PolarHBondContact NH1-O 3.04Å; L145-I155 HydrophobicContact CD1-CB 3.79Å; L145-I155 HydrophobicContact CD1-CD1 4.07Å; L145-I155 HydrophobicContact CD1-CG2 3.56Å; M148-I155 HydrophobicContact CB-CD1 3.7Å; M148-I155 HydrophobicContact SD-CD1 4.12Å; L153-I155 HydrophobicContact CB-CD1 4.34Å; L153-I155 HydrophobicContact CB-CG1 4.23Å; L153-I155 PolarHBondContact O-N 3.06Å; I155-H157 PolarHBondContact O-CD2 3.49Å | ||
| 156 | I | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -94.7 | 135.5 | -179.4 | -54.7 | -56.4 | 0 | 0 | 0 | 109.7 | L89 L145 H154 E161 V162 I165 L217 F218 | L89-I156 HydrophobicContact CD2-CD1 3.7Å; L145-I156 HydrophobicContact CD1-CD1 3.95Å; L145-I156 HydrophobicContact CD1-CG1 4.05Å; L145-I156 HydrophobicContact CD2-CD1 4.15Å; L145-I156 HydrophobicContact CD2-CG1 4.45Å; H154-I156 PolarHBondContact CE1-O 3.35Å; H154-I156 VanDerWaalsContact CE1-O 3.29Å; I156-E161 HydrophobicContact CG2-CB 3.72Å; I156-V162 HydrophobicContact CG2-CG2 3.9Å; I156-I165 HydrophobicContact CD1-CD1 4.3Å; I156-I165 HydrophobicContact CD1-CG1 4.01Å; I156-L217 HydrophobicContact CB-CB 4.1Å; I156-L217 HydrophobicContact CG1-CB 4.07Å; I156-L217 HydrophobicContact CG1-CD1 4.28Å; I156-L217 HydrophobicContact CG1-CD2 4.3Å; I156-L217 HydrophobicContact CG1-CG 4.47Å; I156-L217 HydrophobicContact CG2-CB 4.29Å; I156-F218 HydrophobicContact CG2-CE1 4.07Å; I156-F218 WeakPolarHBondContact O-CD1 3.45Å | ||
| 157 | H | 94.4 | Very high | 96.2 | Very high | 95 Ų | 95 | 25.2 Ų | 25.2 | 44% | 0.44 | 15% | 0.151 | S | C | . | . | trans | -121.6 | -10.5 | -165.5 | -73.2 | -163.7 | 0 | 0 | 0 | 114.6 | H154 I155 E161 | H154-H157 AromaticContact CE1-CD2 3.4Å; H154-H157 PolarHBondContact CE1-CD2 3.45Å; H154-H157 VanDerWaalsContact CE1-CD2 3.4Å; H154-H157 AromaticContact CE1-NE2 3.9Å; H154-H157 AromaticContact ND1-CD2 3.28Å; H154-H157 PolarHBondContact ND1-CD2 3.13Å; H154-H157 VanDerWaalsContact ND1-CD2 3.28Å; H154-H157 AromaticContact ND1-NE2 3.39Å; H154-H157 PolarHBondContact ND1-NE2 3.42Å; I155-H157 PolarHBondContact O-CD2 3.49Å; H157-E161 PolarHBondContact N-OE2 2.92Å | ||
| 158 | S | 95 | Very high | 96.2 | Very high | 39 Ų | 39 | 25 Ų | 25 | 27% | 0.273 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -150.9 | 159.7 | 179.3 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | D160 E161 V162 | S158-D160 PolarHBondContact O-N 3.32Å; S158-D160 PolarHBondContact OG-N 2.98Å; S158-E161 WeakPolarHBondContact O-CB 3.31Å; S158-E161 PolarHBondContact O-N 2.73Å; S158-E161 VanDerWaalsContact O-N 3.1Å; S158-E161 PolarHBondContact OG-N 3.32Å; S158-E161 VanDerWaalsContact OG-N 3.14Å; S158-V162 WeakPolarHBondContact O-CG2 3.46Å; S158-V162 PolarHBondContact O-N 3.18Å |
| 159 | L | 92.8 | Very high | 96.2 | Very high | 66 Ų | 66 | 25 Ų | 25 | 35% | 0.346 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.8 | -23.2 | 173.4 | -62.5 | 178.7 | 0 | 0 | 0 | 112.6 | V162 N163 F218 Q225 | L159-V162 HydrophobicContact CD2-CG2 4.42Å; L159-V162 PolarHBondContact O-N 3.27Å; L159-N163 PolarHBondContact O-N 3.11Å; L159-N163 PolarHBondContact O-ND2 3.25Å; L159-F218 HydrophobicContact CD2-CE2 3.92Å; L159-F218 HydrophobicContact CD2-CZ 4.16Å; L159-Q225 HydrophobicContact CD1-CB 4.4Å; L159-Q225 HydrophobicContact CD2-CB 4.04Å; L159-Q225 WeakPolarHBondContact CD2-O 3.33Å |
| 160 | D | 95.5 | Very high | 96.1 | Very high | 38 Ų | 38 | 25 Ų | 25 | 20% | 0.203 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 170.4 | -68.6 | -50.7 | 0 | 0 | 0 | 110.7 | S158 F164 N489 R491 M492 | S158-D160 PolarHBondContact O-N 3.32Å; S158-D160 PolarHBondContact OG-N 2.98Å; D160-F164 PolarHBondContact O-N 3.43Å; D160-F164 VanDerWaalsContact O-N 3.13Å; D160-N489 PolarHBondContact OD1-ND2 2.97Å; D160-R491 IonicContact OD1-NH1 2.62Å; D160-R491 IonicContact OD2-CZ 3.55Å; D160-R491 IonicContact OD2-NH1 3.34Å; D160-R491 PolarHBondContact OD2-NH1 2.93Å; D160-M492 HydrophobicContact CB-CE 4.02Å |
| 161 | E | 97.3 | Very high | 96.1 | Very high | 23 Ų | 23 | 23 Ų | 23 | 11% | 0.107 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.6 | -37.1 | 172.4 | -67.9 | 176.9 | 177.5 | 0 | 0 | 112.4 | R86 L89 I93 I156 H157 S158 F164 I165 | R86-E161 IonicContact CZ-OE1 2.72Å; R86-E161 IonicContact CZ-OE2 3.28Å; R86-E161 IonicContact NH1-OE1 2.71Å; R86-E161 PolarHBondContact NH1-OE1 2.94Å; R86-E161 IonicContact NH1-OE2 2.75Å; R86-E161 PolarHBondContact NH1-OE2 2.83Å; R86-E161 IonicContact NH2-OE1 2.64Å; R86-E161 PolarHBondContact NH2-OE1 3.17Å; R86-E161 IonicContact NH2-OE2 3.63Å; L89-E161 HydrophobicContact CD2-CG 4.3Å; I93-E161 HydrophobicContact CD1-CG 4.14Å; I156-E161 HydrophobicContact CG2-CB 3.72Å; H157-E161 PolarHBondContact N-OE2 2.92Å; S158-E161 WeakPolarHBondContact O-CB 3.31Å; S158-E161 PolarHBondContact O-N 2.73Å; S158-E161 VanDerWaalsContact O-N 3.1Å; S158-E161 PolarHBondContact OG-N 3.32Å; S158-E161 VanDerWaalsContact OG-N 3.14Å; E161-F164 WeakPolarHBondContact O-CB 3.38Å; E161-F164 PolarHBondContact O-N 3.41Å; E161-I165 WeakPolarHBondContact O-CG1 3.45Å; E161-I165 PolarHBondContact O-N 3.26Å |
| 162 | V | 96.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 3% | 0.03 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.5 | -50.5 | 173.1 | 171.9 | 0 | 0 | 0 | 0 | 111 | I156 S158 L159 F164 I165 Q166 L217 F218 I228 | I156-V162 HydrophobicContact CG2-CG2 3.9Å; S158-V162 WeakPolarHBondContact O-CG2 3.46Å; S158-V162 PolarHBondContact O-N 3.18Å; L159-V162 HydrophobicContact CD2-CG2 4.42Å; L159-V162 PolarHBondContact O-N 3.27Å; V162-F164 PolarHBondContact O-N 3.24Å; V162-I165 PolarHBondContact O-N 3.32Å; V162-I165 VanDerWaalsContact O-N 3.09Å; V162-Q166 PolarHBondContact O-N 3.41Å; V162-L217 HydrophobicContact CB-CD1 4.42Å; V162-L217 HydrophobicContact CG1-CD1 4.29Å; V162-L217 HydrophobicContact CG2-CB 4.27Å; V162-L217 HydrophobicContact CG2-CD1 4.19Å; V162-F218 HydrophobicContact CG2-CE1 4.21Å; V162-F218 HydrophobicContact CG2-CZ 4.09Å; V162-I228 HydrophobicContact CG1-CD1 4.14Å |
| 163 | N | 96 | Very high | 96.2 | Very high | 40 Ų | 40 | 19.9 Ų | 19.9 | 21% | 0.214 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.6 | -33.4 | 178.4 | -79.1 | -61.8 | 0 | 0 | 0 | 112.2 | L159 Q166 N167 G487 N489 | L159-N163 PolarHBondContact O-N 3.11Å; L159-N163 PolarHBondContact O-ND2 3.25Å; N163-Q166 PolarHBondContact O-N 3.02Å; N163-N167 PolarHBondContact O-N 3.21Å; N163-N167 VanDerWaalsContact O-N 3.08Å; N163-N167 PolarHBondContact O-ND2 3.26Å; N163-G487 WeakPolarHBondContact OD1-CA 3.22Å; N163-N489 HydrophobicContact CB-CB 4.04Å |
| 164 | F | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.3 | -46.1 | 171.8 | -175.5 | -100.2 | 0 | 0 | 0 | 112.1 | L89 M92 I93 V96 V99 D160 E161 V162 Q166 N167 L168 M492 L494 | L89-F164 HydrophobicContact CD1-CD1 3.88Å; L89-F164 HydrophobicContact CD1-CE1 4.14Å; M92-F164 VanDerWaalsContact C-CZ 3.42Å; M92-F164 HydrophobicContact CB-CE1 3.73Å; M92-F164 HydrophobicContact CB-CZ 3.79Å; M92-F164 WeakPolarHBondContact O-CZ 3.37Å; I93-F164 HydrophobicContact CB-CZ 4.48Å; I93-F164 HydrophobicContact CD1-CD1 4.21Å; I93-F164 HydrophobicContact CD1-CG 4.43Å; I93-F164 HydrophobicContact CG1-CB 4.45Å; I93-F164 HydrophobicContact CG1-CD1 3.47Å; I93-F164 VanDerWaalsContact CG1-CD1 3.47Å; I93-F164 HydrophobicContact CG1-CD2 4.02Å; I93-F164 HydrophobicContact CG1-CE1 3.59Å; I93-F164 HydrophobicContact CG1-CE2 4.15Å; I93-F164 HydrophobicContact CG1-CG 3.7Å; I93-F164 HydrophobicContact CG1-CZ 3.96Å; V96-F164 HydrophobicContact CB-CD2 4.49Å; V96-F164 HydrophobicContact CB-CE2 4.14Å; V96-F164 HydrophobicContact CG2-CD2 4Å; V96-F164 HydrophobicContact CG2-CE2 4.02Å; V99-F164 HydrophobicContact CG2-CE2 3.92Å; V99-F164 HydrophobicContact CG2-CZ 4.04Å; D160-F164 PolarHBondContact O-N 3.43Å; D160-F164 VanDerWaalsContact O-N 3.13Å; E161-F164 WeakPolarHBondContact O-CB 3.38Å; E161-F164 PolarHBondContact O-N 3.41Å; V162-F164 PolarHBondContact O-N 3.24Å; F164-Q166 VanDerWaalsContact C-N 3.32Å; F164-Q166 PolarHBondContact O-N 3.48Å; F164-N167 PolarHBondContact O-N 2.68Å; F164-N167 VanDerWaalsContact O-N 3.1Å; F164-L168 HydrophobicContact CD1-CD1 4.2Å; F164-L168 HydrophobicContact CD1-CG 4.25Å; F164-L168 HydrophobicContact CE1-CD1 3.69Å; F164-L168 HydrophobicContact CE1-CD2 4.08Å; F164-L168 HydrophobicContact CE1-CG 3.85Å; F164-L168 HydrophobicContact CZ-CD1 4.4Å; F164-L168 HydrophobicContact CZ-CD2 3.97Å; F164-L168 HydrophobicContact CZ-CG 4.22Å; F164-L168 PolarHBondContact O-N 2.82Å; F164-M492 HydrophobicContact CB-CE 4.46Å; F164-M492 HydrophobicContact CB-SD 4.03Å; F164-M492 HydrophobicContact CD2-SD 4.45Å; F164-L494 HydrophobicContact CD2-CD1 4.32Å |
| 165 | I | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 174.5 | -61.9 | -57.5 | 0 | 0 | 0 | 111.5 | L89 Y141 L142 L145 I156 E161 V162 N167 L168 V169 L217 I228 | L89-I165 HydrophobicContact CD1-CD1 3.84Å; Y141-I165 HydrophobicContact CE1-CD1 4.32Å; L142-I165 HydrophobicContact CD2-CD1 4.19Å; L142-I165 HydrophobicContact CD2-CG2 4.01Å; L145-I165 HydrophobicContact CD2-CD1 3.64Å; L145-I165 HydrophobicContact CD2-CG1 4.02Å; L145-I165 HydrophobicContact CD2-CG2 4.23Å; I156-I165 HydrophobicContact CD1-CD1 4.3Å; I156-I165 HydrophobicContact CD1-CG1 4.01Å; E161-I165 WeakPolarHBondContact O-CG1 3.45Å; E161-I165 PolarHBondContact O-N 3.26Å; V162-I165 PolarHBondContact O-N 3.32Å; V162-I165 VanDerWaalsContact O-N 3.09Å; I165-N167 PolarHBondContact O-N 2.82Å; I165-L168 HydrophobicContact CD1-CD1 4.11Å; I165-L168 CarbonylContact O-C 3.54Å; I165-L168 WeakPolarHBondContact O-CA 3.43Å; I165-L168 WeakPolarHBondContact O-CB 3.43Å; I165-L168 PolarHBondContact O-N 3.49Å; I165-V169 PolarHBondContact O-N 3.33Å; I165-L217 HydrophobicContact CB-CD1 3.79Å; I165-L217 HydrophobicContact CG1-CD1 4.03Å; I165-L217 HydrophobicContact CG2-CD1 3.79Å; I165-I228 HydrophobicContact CB-CD1 4.35Å; I165-I228 HydrophobicContact CG2-CD1 4.11Å; I165-I228 HydrophobicContact CG2-CG1 4.35Å |
| 166 | Q | 97.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 2% | 0.019 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.7 | -29.9 | 175.1 | -172.9 | 61.6 | 79.7 | 0 | 0 | 112.6 | V162 N163 F164 V169 F170 I228 H229 L486 | V162-Q166 PolarHBondContact O-N 3.41Å; N163-Q166 PolarHBondContact O-N 3.02Å; F164-Q166 VanDerWaalsContact C-N 3.32Å; F164-Q166 PolarHBondContact O-N 3.48Å; Q166-V169 WeakPolarHBondContact O-CB 3.47Å; Q166-F170 HydrophobicContact CG-CE2 4.14Å; Q166-F170 HydrophobicContact CG-CZ 3.84Å; Q166-F170 WeakPolarHBondContact O-CD2 3.41Å; Q166-F170 WeakPolarHBondContact O-CE2 3.23Å; Q166-F170 WeakPolarHBondContact O-CG 3.3Å; Q166-F170 PolarHBondContact O-N 3.45Å; Q166-I228 HydrophobicContact CB-CD1 3.77Å; Q166-H229 PolarHBondContact NE2-O 3.1Å; Q166-H229 PolarHBondContact OE1-O 2.84Å; Q166-L486 HydrophobicContact CG-CD1 4.03Å; Q166-L486 HydrophobicContact CG-CD2 4.32Å; Q166-L486 HydrophobicContact CG-CG 3.8Å |
| 167 | N | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -80.6 | -26.3 | 171.4 | -77.5 | -100.3 | 0 | 0 | 0 | 112.9 | V99 K103 N163 F164 I165 V169 F170 Y171 G487 L494 | V99-N167 HydrophobicContact CG1-CB 3.99Å; K103-N167 PolarHBondContact NZ-OD1 2.93Å; N163-N167 PolarHBondContact O-N 3.21Å; N163-N167 VanDerWaalsContact O-N 3.08Å; N163-N167 PolarHBondContact O-ND2 3.26Å; F164-N167 PolarHBondContact O-N 2.68Å; F164-N167 VanDerWaalsContact O-N 3.1Å; I165-N167 PolarHBondContact O-N 2.82Å; N167-V169 VanDerWaalsContact C-N 3.31Å; N167-F170 HydrophobicContact CB-CD2 4.44Å; N167-F170 PolarHBondContact O-N 3.34Å; N167-Y171 PolarHBondContact O-N 2.76Å; N167-G487 PolarHBondContact ND2-O 2.71Å; N167-L494 HydrophobicContact CB-CD1 4.2Å; N167-L494 HydrophobicContact CB-CD2 4.09Å |
| 168 | L | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.1 | -29.4 | 167.8 | -65.6 | -173.1 | 0 | 0 | 0 | 112.4 | M92 V99 L112 L142 F164 I165 Y171 I172 | M92-L168 HydrophobicContact SD-CD1 3.87Å; V99-L168 HydrophobicContact CG1-CD2 4.1Å; V99-L168 HydrophobicContact CG2-CD2 3.91Å; L112-L168 HydrophobicContact CD1-CD2 3.76Å; L142-L168 HydrophobicContact CD1-CB 4.07Å; L142-L168 HydrophobicContact CD2-CB 4.2Å; L142-L168 HydrophobicContact CD2-CD1 4.16Å; F164-L168 HydrophobicContact CD1-CD1 4.2Å; F164-L168 HydrophobicContact CD1-CG 4.25Å; F164-L168 HydrophobicContact CE1-CD1 3.69Å; F164-L168 HydrophobicContact CE1-CD2 4.08Å; F164-L168 HydrophobicContact CE1-CG 3.85Å; F164-L168 HydrophobicContact CZ-CD1 4.4Å; F164-L168 HydrophobicContact CZ-CD2 3.97Å; F164-L168 HydrophobicContact CZ-CG 4.22Å; F164-L168 PolarHBondContact O-N 2.82Å; I165-L168 HydrophobicContact CD1-CD1 4.11Å; I165-L168 CarbonylContact O-C 3.54Å; I165-L168 WeakPolarHBondContact O-CA 3.43Å; I165-L168 WeakPolarHBondContact O-CB 3.43Å; I165-L168 PolarHBondContact O-N 3.49Å; L168-Y171 WeakPolarHBondContact O-CB 3.46Å; L168-Y171 PolarHBondContact O-N 3.35Å; L168-I172 PolarHBondContact O-N 2.92Å; L168-I172 VanDerWaalsContact O-N 3.09Å |
| 169 | V | 97.9 | Very high | 94 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.6 | -49.2 | 166.7 | 166.8 | 0 | 0 | 0 | 0 | 110.1 | I165 Q166 N167 Y171 I172 E173 L209 L212 I228 V230 | I165-V169 PolarHBondContact O-N 3.33Å; Q166-V169 WeakPolarHBondContact O-CB 3.47Å; N167-V169 VanDerWaalsContact C-N 3.31Å; V169-Y171 PolarHBondContact O-N 3.36Å; V169-I172 PolarHBondContact O-N 3.42Å; V169-I172 VanDerWaalsContact O-N 3.13Å; V169-E173 WeakPolarHBondContact O-CB 3.27Å; V169-E173 PolarHBondContact O-N 2.78Å; V169-L209 HydrophobicContact CG1-CD2 3.88Å; V169-L212 HydrophobicContact CG2-CD1 3.73Å; V169-I228 HydrophobicContact CG2-CG2 3.88Å; V169-V230 HydrophobicContact CG1-CG2 4.06Å |
| 170 | F | 96.1 | Very high | 94 | Very high | 5 Ų | 5 | 10 Ų | 10 | 2% | 0.022 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66.2 | -21.4 | 177.1 | -49 | -36.8 | 0 | 0 | 0 | 114 | K103 Q166 N167 L486 R497 | K103-F170 HydrophobicContact CD-CB 3.84Å; K103-F170 HydrophobicContact CD-CD2 4.15Å; K103-F170 HydrophobicContact CD-CG 4.49Å; K103-F170 HydrophobicContact CG-CB 4.03Å; Q166-F170 HydrophobicContact CG-CE2 4.14Å; Q166-F170 HydrophobicContact CG-CZ 3.84Å; Q166-F170 WeakPolarHBondContact O-CD2 3.41Å; Q166-F170 WeakPolarHBondContact O-CE2 3.23Å; Q166-F170 WeakPolarHBondContact O-CG 3.3Å; Q166-F170 PolarHBondContact O-N 3.45Å; N167-F170 HydrophobicContact CB-CD2 4.44Å; N167-F170 PolarHBondContact O-N 3.34Å; F170-L486 HydrophobicContact CE1-CD2 4.24Å; F170-L486 VanDerWaalsContact CE2-O 3.29Å; F170-L486 WeakPolarHBondContact CE2-O 3.33Å; F170-L486 HydrophobicContact CZ-CB 4.26Å; F170-L486 HydrophobicContact CZ-CD2 3.93Å; F170-L486 HydrophobicContact CZ-CG 3.91Å; F170-L486 WeakPolarHBondContact CZ-O 3.42Å; F170-R497 HydrophobicContact CD1-CB 4.25Å; F170-R497 HydrophobicContact CD1-CG 3.91Å; F170-R497 HydrophobicContact CD2-CB 4.26Å; F170-R497 HydrophobicContact CE1-CB 3.82Å; F170-R497 HydrophobicContact CE1-CG 3.8Å; F170-R497 HydrophobicContact CE2-CB 3.84Å; F170-R497 HydrophobicContact CG-CB 4.48Å; F170-R497 HydrophobicContact CG-CG 4.35Å; F170-R497 HydrophobicContact CZ-CB 3.59Å; F170-R497 HydrophobicContact CZ-CG 4.12Å |
| 171 | Y | 95.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 9.3 Ų | 9.3 | 1% | 0.008 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -74.5 | -37.2 | 172.7 | -176.2 | -79.8 | 0 | 0 | 0 | 111.9 | V99 F102 S111 L112 L135 T138 N167 L168 V169 | V99-Y171 HydrophobicContact CG1-CD2 4.47Å; F102-Y171 HydrophobicContact CB-CD2 3.85Å; F102-Y171 HydrophobicContact CB-CE2 3.7Å; F102-Y171 HydrophobicContact CD1-CD1 4.37Å; F102-Y171 AromaticContact CD1-CD2 3.27Å; F102-Y171 HydrophobicContact CD1-CD2 3.27Å; F102-Y171 HydrophobicContact CD1-CE1 4.39Å; F102-Y171 AromaticContact CD1-CE2 3.29Å; F102-Y171 HydrophobicContact CD1-CE2 3.29Å; F102-Y171 AromaticContact CD1-CG 3.84Å; F102-Y171 HydrophobicContact CD1-CG 3.84Å; F102-Y171 AromaticContact CD1-CZ 3.87Å; F102-Y171 AromaticContact CD2-CE2 3.97Å; F102-Y171 HydrophobicContact CD2-CE2 3.97Å; F102-Y171 HydrophobicContact CE1-CD1 4.26Å; F102-Y171 AromaticContact CE1-CD2 3.95Å; F102-Y171 HydrophobicContact CE1-CD2 3.95Å; F102-Y171 HydrophobicContact CE1-CE1 4.13Å; F102-Y171 AromaticContact CE1-CE2 3.81Å; F102-Y171 HydrophobicContact CE1-CE2 3.81Å; F102-Y171 HydrophobicContact CE1-CG 4.15Å; F102-Y171 AromaticContact CE1-CZ 3.88Å; F102-Y171 HydrophobicContact CE2-CE2 4.41Å; F102-Y171 AromaticContact CG-CD2 3.71Å; F102-Y171 HydrophobicContact CG-CD2 3.71Å; F102-Y171 AromaticContact CG-CE2 3.37Å; F102-Y171 HydrophobicContact CG-CE2 3.37Å; F102-Y171 HydrophobicContact CZ-CE2 4.32Å; S111-Y171 WeakPolarHBondContact CA-OH 3.46Å; S111-Y171 WeakPolarHBondContact CB-OH 3.37Å; L112-Y171 HydrophobicContact CB-CE2 4.47Å; L112-Y171 HydrophobicContact CD1-CE1 4.4Å; L112-Y171 HydrophobicContact CD1-CE2 4.21Å; L112-Y171 HydrophobicContact CG-CE2 3.93Å; L112-Y171 PolarHBondContact N-OH 2.88Å; L135-Y171 HydrophobicContact CD2-CD1 4.19Å; L135-Y171 HydrophobicContact CD2-CE1 3.61Å; T138-Y171 HydrophobicContact CG2-CD1 4.27Å; N167-Y171 PolarHBondContact O-N 2.76Å; L168-Y171 WeakPolarHBondContact O-CB 3.46Å; L168-Y171 PolarHBondContact O-N 3.35Å; V169-Y171 PolarHBondContact O-N 3.36Å |
| 172 | I | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -95 | -17.7 | -179.6 | 67.3 | 155.5 | 0 | 0 | 0 | 114.8 | T138 L142 L168 V169 A174 A175 A205 A208 L209 | T138-I172 HydrophobicContact CG2-CG2 3.87Å; L142-I172 HydrophobicContact CD1-CD1 3.74Å; L142-I172 HydrophobicContact CD1-CG1 4.07Å; L142-I172 HydrophobicContact CD1-CG2 4.29Å; L168-I172 PolarHBondContact O-N 2.92Å; L168-I172 VanDerWaalsContact O-N 3.09Å; V169-I172 PolarHBondContact O-N 3.42Å; V169-I172 VanDerWaalsContact O-N 3.13Å; I172-A174 PolarHBondContact O-N 3.05Å; I172-A175 WeakPolarHBondContact O-CB 3.34Å; I172-A175 PolarHBondContact O-N 3.48Å; I172-A205 HydrophobicContact CB-CB 4.43Å; I172-A205 HydrophobicContact CD1-CB 4.49Å; I172-A208 HydrophobicContact CD1-CB 3.66Å; I172-L209 HydrophobicContact CD1-CD2 3.99Å; I172-L209 HydrophobicContact CD1-CG 3.87Å; I172-L209 HydrophobicContact CG1-CD2 3.97Å; I172-L209 HydrophobicContact CG1-CG 4.27Å |
| 173 | E | 92.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 2% | 0.019 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -59.7 | -32.2 | -179.5 | 75 | -170 | 171.9 | 0 | 0 | 112.3 | V169 A175 Y176 L209 E234 R500 | V169-E173 WeakPolarHBondContact O-CB 3.27Å; V169-E173 PolarHBondContact O-N 2.78Å; E173-A175 PolarHBondContact O-N 3.08Å; E173-Y176 WeakPolarHBondContact O-CD1 3.34Å; E173-Y176 WeakPolarHBondContact O-CE1 3.36Å; E173-L209 HydrophobicContact CB-CD2 4.26Å; E173-E234 HydrophobicContact CB-CB 4.25Å; E173-E234 HydrophobicContact CB-CG 4.49Å; E173-R500 IonicContact OE1-CZ 2.76Å; E173-R500 IonicContact OE1-NH1 2.76Å; E173-R500 PolarHBondContact OE1-NH1 2.85Å; E173-R500 IonicContact OE1-NH2 3.54Å; E173-R500 PolarHBondContact OE1-NH2 2.91Å; E173-R500 IonicContact OE2-NH1 3.29Å |
| 174 | A | 87.1 | Confident | 93.3 | Very high | 4 Ų | 4 | 7.7 Ų | 7.7 | 3% | 0.033 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | -76.4 | -0.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q106 I172 Y176 K177 T178 | Q106-A174 HydrophobicContact CG-CB 4.38Å; I172-A174 PolarHBondContact O-N 3.05Å; A174-Y176 PolarHBondContact O-N 3.01Å; A174-K177 HydrophobicContact CB-CG 4.48Å; A174-K177 VanDerWaalsContact O-CG 3.25Å; A174-K177 WeakPolarHBondContact O-CG 3.42Å; A174-K177 PolarHBondContact O-N 3.4Å; A174-T178 PolarHBondContact O-N 3.14Å; A174-T178 PolarHBondContact O-OG1 2.71Å |
| 175 | A | 91.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.008 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -56.9 | -23.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L135 I172 E173 K177 L197 V202 A205 | L135-A175 HydrophobicContact CD1-CB 3.86Å; I172-A175 WeakPolarHBondContact O-CB 3.34Å; I172-A175 PolarHBondContact O-N 3.48Å; E173-A175 PolarHBondContact O-N 3.08Å; A175-K177 PolarHBondContact O-N 3.26Å; A175-L197 VanDerWaalsContact O-CD1 3.32Å; A175-L197 WeakPolarHBondContact O-CD1 3.28Å; A175-V202 WeakPolarHBondContact O-CG2 3.45Å; A175-A205 HydrophobicContact CB-CB 3.51Å |
| 176 | Y | 86.5 | Confident | 92.3 | Very high | 6 Ų | 6 | 10.6 Ų | 10.6 | 2% | 0.024 | 5% | 0.053 | C | C | . | . | G | 310 helix | trans | -64.3 | -18.8 | 173.9 | 62.9 | -103.2 | 0 | 0 | 0 | 114.3 | E173 A174 E234 H237 I241 T846 | E173-Y176 WeakPolarHBondContact O-CD1 3.34Å; E173-Y176 WeakPolarHBondContact O-CE1 3.36Å; A174-Y176 PolarHBondContact O-N 3.01Å; Y176-E234 HydrophobicContact CE1-CB 4.4Å; Y176-E234 WeakPolarHBondContact CE1-OE2 3.4Å; Y176-E234 PolarHBondContact OH-OE2 3.41Å; Y176-H237 HydrophobicContact CD1-CB 3.69Å; Y176-H237 HydrophobicContact CD2-CB 3.95Å; Y176-H237 HydrophobicContact CE1-CB 3.87Å; Y176-H237 HydrophobicContact CE2-CB 4.11Å; Y176-H237 HydrophobicContact CG-CB 3.74Å; Y176-I241 WeakPolarHBondContact O-CD1 3.49Å; Y176-I241 WeakPolarHBondContact O-CG1 3.46Å; Y176-T846 HydrophobicContact CD2-CG2 3.67Å; Y176-T846 HydrophobicContact CE2-CG2 3.78Å |
| 177 | K | 84.3 | Confident | 91.7 | Very high | 38 Ų | 38 | 10.4 Ų | 10.4 | 17% | 0.165 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -23 | -179.6 | 54.1 | -177.1 | 169.8 | -147.3 | 0 | 114.6 | A174 A175 A179 P871 | A174-K177 HydrophobicContact CB-CG 4.48Å; A174-K177 VanDerWaalsContact O-CG 3.25Å; A174-K177 WeakPolarHBondContact O-CG 3.42Å; A174-K177 PolarHBondContact O-N 3.4Å; A175-K177 PolarHBondContact O-N 3.26Å; K177-A179 PolarHBondContact O-N 2.95Å; K177-P871 HydrophobicContact CB-CB 3.82Å; K177-P871 HydrophobicContact CB-CG 3.73Å |
| 178 | T | 87.8 | Confident | 91.2 | Very high | 8 Ų | 8 | 10.6 Ų | 10.6 | 5% | 0.049 | 5% | 0.054 | C | C | . | . | trans | -79.8 | 115 | 179.9 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | F102 Q106 L133 L135 A174 | F102-T178 HydrophobicContact CZ-CG2 3.98Å; Q106-T178 HydrophobicContact CB-CG2 4.07Å; Q106-T178 PolarHBondContact OE1-OG1 2.89Å; Q106-T178 VanDerWaalsContact OE1-OG1 3.11Å; L133-T178 HydrophobicContact CD2-CG2 4.2Å; L135-T178 HydrophobicContact CD1-CG2 4.17Å; A174-T178 PolarHBondContact O-N 3.14Å; A174-T178 PolarHBondContact O-OG1 2.71Å | ||
| 179 | A | 88.9 | Confident | 90.6 | Very high | 31 Ų | 31 | 11 Ų | 11 | 26% | 0.256 | 6% | 0.055 | S | C | . | . | trans | -74 | 130.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K177 S195 | K177-A179 PolarHBondContact O-N 2.95Å; A179-S195 WeakPolarHBondContact O-CB 3.47Å; A179-S195 PolarHBondContact O-OG 3.15Å | ||
| 180 | D | 93.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | B | Isolated β-bridge | trans | -129 | 177.8 | -170.9 | 89.2 | -25.2 | 0 | 0 | 0 | 113.2 | L133 L135 G182 S195 E196 N198 S201 | L133-D180 HydrophobicContact CG-CB 3.97Å; L133-D180 WeakPolarHBondContact O-CB 3.39Å; L135-D180 HydrophobicContact CD1-CB 4.4Å; L135-D180 HydrophobicContact CG-CB 4.18Å; L135-D180 PolarHBondContact N-OD2 2.88Å; D180-G182 VanDerWaalsContact C-N 3.32Å; D180-G182 PolarHBondContact OD1-N 3.27Å; D180-G182 VanDerWaalsContact OD1-N 3.11Å; D180-S195 WeakPolarHBondContact O-CA 3.29Å; D180-S195 WeakPolarHBondContact O-CB 3.35Å; D180-E196 PolarHBondContact N-O 3.31Å; D180-E196 PolarHBondContact O-N 2.94Å; D180-E196 VanDerWaalsContact O-O 3.11Å; D180-N198 PolarHBondContact O-ND2 2.95Å; D180-N198 PolarHBondContact OD1-ND2 3.38Å; D180-S201 VanDerWaalsContact CG-OG 3.3Å; D180-S201 PolarHBondContact OD1-OG 3.36Å; D180-S201 VanDerWaalsContact OD2-CB 3.25Å; D180-S201 WeakPolarHBondContact OD2-CB 3.46Å; D180-S201 PolarHBondContact OD2-OG 2.92Å |
| 181 | F | 93.1 | Very high | 89.1 | Confident | 23 Ų | 23 | 11.4 Ų | 11.4 | 10% | 0.101 | 6% | 0.058 | C | C | . | . | trans | -84.4 | -9.7 | 176.9 | -68.3 | -78.1 | 0 | 0 | 0 | 113.5 | T108 G131 L133 Q134 E185 R186 G187 | T108-F181 HydrophobicContact CG2-CE2 3.8Å; T108-F181 HydrophobicContact CG2-CZ 4.25Å; G131-F181 VanDerWaalsContact C-CD2 3.44Å; G131-F181 VanDerWaalsContact CA-CG 3.45Å; L133-F181 HydrophobicContact CB-CD2 3.96Å; L133-F181 HydrophobicContact CB-CE2 4.21Å; L133-F181 WeakPolarHBondContact O-CD2 3.38Å; L133-F181 PolarHBondContact O-N 2.98Å; Q134-F181 HydrophobicContact CG-CB 4.46Å; F181-E185 PolarHBondContact O-N 3.27Å; F181-R186 PolarHBondContact O-N 2.99Å; F181-R186 VanDerWaalsContact O-N 3.12Å; F181-G187 PolarHBondContact O-N 2.75Å | ||
| 182 | G | 92.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | -179.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D180 W184 E185 N198 | D180-G182 VanDerWaalsContact C-N 3.32Å; D180-G182 PolarHBondContact OD1-N 3.27Å; D180-G182 VanDerWaalsContact OD1-N 3.11Å; G182-W184 PolarHBondContact O-N 2.84Å; G182-E185 PolarHBondContact O-N 3.36Å; G182-N198 PolarHBondContact N-ND2 3.48Å |
| 183 | I | 93.3 | Very high | 87.7 | Confident | 8 Ų | 8 | 16.5 Ų | 16.5 | 4% | 0.041 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -16.3 | -176.7 | -159.7 | 171.9 | 0 | 0 | 0 | 115.2 | R45 D136 W402 | R45-I183 VanDerWaalsContact CD-CG1 3.47Å; R45-I183 PolarHBondContact NH1-O 3.42Å; D136-I183 WeakPolarHBondContact OD2-CA 3.5Å; I183-W402 HydrophobicContact CD1-CH2 3.81Å; I183-W402 HydrophobicContact CD1-CZ2 4.3Å; I183-W402 HydrophobicContact CG1-CH2 4.11Å |
| 184 | W | 92.8 | Very high | 87.3 | Confident | 24 Ų | 24 | 20.5 Ų | 20.5 | 9% | 0.091 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 0.9 | 178.2 | -54.5 | 131.8 | 0 | 0 | 0 | 114.4 | G182 R186 D256 R295 F296 F331 W402 | G182-W184 PolarHBondContact O-N 2.84Å; W184-R186 WeakPolarHBondContact O-CG 3.16Å; W184-R186 PolarHBondContact O-N 3.48Å; W184-D256 VanDerWaalsContact CD1-OD2 3.26Å; W184-D256 PolarHBondContact NE1-OD1 3.49Å; W184-D256 PolarHBondContact NE1-OD2 2.94Å; W184-R295 VanDerWaalsContact CE3-NH1 3.35Å; W184-R295 HydrophobicContact CH2-CG 4.09Å; W184-R295 HydrophobicContact CZ2-CB 3.99Å; W184-R295 HydrophobicContact CZ2-CG 3.88Å; W184-F296 AromaticContact CD1-CD1 3.86Å; W184-F296 AromaticContact CD1-CE1 3.7Å; W184-F296 HydrophobicContact CG-CE1 4.33Å; W184-F331 HydrophobicContact CH2-CE1 4.41Å; W184-F331 AromaticContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CZ2-CE1 4.41Å; W184-F331 AromaticContact CZ2-CZ 3.77Å; W184-F331 HydrophobicContact CZ2-CZ 3.77Å; W184-W402 HydrophobicContact CZ3-CH2 4.45Å; W184-W402 HydrophobicContact CZ3-CZ3 4.47Å |
| 185 | E | 90.3 | Very high | 87.4 | Confident | 35 Ų | 35 | 22.2 Ų | 22.2 | 16% | 0.164 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 24.1 | 172.6 | -36.2 | -164.1 | -154.7 | 0 | 0 | 114.5 | W43 R45 W130 Q134 F181 G182 | W43-E185 VanDerWaalsContact NE1-CD 3.33Å; W43-E185 PolarHBondContact NE1-OE1 3.38Å; W43-E185 PolarHBondContact NE1-OE2 3.14Å; R45-E185 IonicContact CZ-OE1 2.8Å; R45-E185 IonicContact NH2-OE1 2.77Å; R45-E185 PolarHBondContact NH2-OE1 3.06Å; W130-E185 PolarHBondContact NE1-OE2 3.11Å; Q134-E185 VanDerWaalsContact NE2-CG 3.26Å; Q134-E185 PolarHBondContact NE2-OE2 2.97Å; F181-E185 PolarHBondContact O-N 3.27Å; G182-E185 PolarHBondContact O-N 3.36Å |
| 186 | R | 85.1 | Confident | 87.2 | Confident | 26 Ų | 26 | 22.7 Ų | 22.7 | 10% | 0.098 | 13% | 0.125 | C | C | . | . | trans | -114.9 | -24.5 | -173.9 | -72.4 | -179.9 | 163.7 | -160.2 | -19.5 | 114.1 | F181 W184 D188 N191 D299 E306 Y313 | F181-R186 PolarHBondContact O-N 2.99Å; F181-R186 VanDerWaalsContact O-N 3.12Å; W184-R186 WeakPolarHBondContact O-CG 3.16Å; W184-R186 PolarHBondContact O-N 3.48Å; R186-D188 PolarHBondContact O-N 2.82Å; R186-N191 HydrophobicContact CB-CB 4.12Å; R186-N191 HydrophobicContact CG-CB 4.09Å; R186-N191 WeakPolarHBondContact CG-OD1 3.25Å; R186-D299 IonicContact NH1-OD1 2.68Å; R186-D299 PolarHBondContact NH1-OD1 3.37Å; R186-E306 IonicContact NH2-OE1 3.79Å; R186-E306 PolarHBondContact NH2-OE1 3.12Å; R186-Y313 VanDerWaalsContact CZ-OH 3.28Å; R186-Y313 PolarHBondContact NH1-OH 3.48Å; R186-Y313 PolarHBondContact NH2-OH 2.86Å | ||
| 187 | G | 85.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 68.5 | -119.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F181 I194 K253 | F181-G187 PolarHBondContact O-N 2.75Å; G187-I194 CarbonylContact C-O 3.59Å; G187-I194 WeakPolarHBondContact CA-O 3.08Å; G187-K253 PolarHBondContact O-NZ 2.91Å |
| 188 | D | 86.1 | Confident | 87.8 | Confident | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -65 | 160.2 | 178.2 | 112.3 | -70.5 | 0 | 0 | 0 | 113.8 | R186 T190 N191 I194 E196 K1124 | R186-D188 PolarHBondContact O-N 2.82Å; D188-T190 VanDerWaalsContact C-N 3.32Å; D188-T190 PolarHBondContact O-N 3.47Å; D188-T190 PolarHBondContact OD1-N 2.99Å; D188-T190 PolarHBondContact OD1-OG1 3.39Å; D188-T190 PolarHBondContact OD2-N 2.81Å; D188-T190 VanDerWaalsContact OD2-N 3.08Å; D188-T190 PolarHBondContact OD2-OG1 2.99Å; D188-T190 VanDerWaalsContact OD2-OG1 3.13Å; D188-N191 PolarHBondContact O-N 2.78Å; D188-N191 PolarHBondContact OD1-N 2.88Å; D188-I194 HydrophobicContact CB-CB 4.34Å; D188-I194 HydrophobicContact CB-CG2 4.48Å; D188-I194 PolarHBondContact N-O 2.81Å; D188-E196 HydrophobicContact CB-CG 4.49Å; D188-K1124 IonicContact OD2-NZ 2.72Å; D188-K1124 PolarHBondContact OD2-NZ 3.1Å |
| 189 | K | 86.4 | Confident | 88.1 | Confident | 7 Ų | 7 | 22.2 Ų | 22.2 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29.5 | -178.8 | 177.8 | 172.7 | 171.7 | 169.4 | 0 | 114.5 | N191 S252 K253 F296 L297 L318 E1122 | K189-N191 PolarHBondContact O-N 3.02Å; K189-S252 WeakPolarHBondContact CB-OG 3.45Å; K189-S252 WeakPolarHBondContact CD-O 3.4Å; K189-S252 PolarHBondContact N-OG 3.2Å; K189-K253 HydrophobicContact CB-CG 4.44Å; K189-F296 HydrophobicContact CG-CE2 4.19Å; K189-L297 WeakPolarHBondContact CE-O 3.45Å; K189-L297 PolarHBondContact NZ-O 3.04Å; K189-L318 HydrophobicContact CG-CD1 4.37Å; K189-L318 HydrophobicContact CG-CD2 4.21Å; K189-E1122 IonicContact NZ-OE1 2.9Å; K189-E1122 PolarHBondContact NZ-OE1 2.94Å |
| 190 | T | 80.9 | Confident | 88.4 | Confident | 8 Ų | 8 | 21 Ų | 21 | 5% | 0.049 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -12.7 | 174.8 | 63.5 | 0 | 0 | 0 | 0 | 112.1 | D188 Q192 L318 | D188-T190 VanDerWaalsContact C-N 3.32Å; D188-T190 PolarHBondContact O-N 3.47Å; D188-T190 PolarHBondContact OD1-N 2.99Å; D188-T190 PolarHBondContact OD1-OG1 3.39Å; D188-T190 PolarHBondContact OD2-N 2.81Å; D188-T190 VanDerWaalsContact OD2-N 3.08Å; D188-T190 PolarHBondContact OD2-OG1 2.99Å; D188-T190 VanDerWaalsContact OD2-OG1 3.13Å; T190-Q192 PolarHBondContact OG1-OE1 2.98Å; T190-L318 HydrophobicContact CG2-CD1 3.8Å |
| 191 | N | 81.2 | Confident | 88.6 | Confident | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | trans | 52.8 | 59.5 | 179.4 | 176.6 | 32.5 | 0 | 0 | 0 | 110 | R186 D188 K189 L311 Y312 Y313 | R186-N191 HydrophobicContact CB-CB 4.12Å; R186-N191 HydrophobicContact CG-CB 4.09Å; R186-N191 WeakPolarHBondContact CG-OD1 3.25Å; D188-N191 PolarHBondContact O-N 2.78Å; D188-N191 PolarHBondContact OD1-N 2.88Å; K189-N191 PolarHBondContact O-N 3.02Å; N191-L311 PolarHBondContact ND2-O 3.4Å; N191-Y312 VanDerWaalsContact O-CA 3.22Å; N191-Y312 WeakPolarHBondContact O-CA 3.49Å; N191-Y312 WeakPolarHBondContact O-CB 3.19Å; N191-Y312 WeakPolarHBondContact O-CD1 3.2Å; N191-Y313 HydrophobicContact CB-CD2 4.14Å; N191-Y313 HydrophobicContact CB-CE2 4.36Å | ||
| 192 | Q | 81.9 | Confident | 88.7 | Confident | 76 Ų | 76 | 20 Ų | 20 | 36% | 0.355 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -115 | 23.1 | -178.9 | -72.3 | 175.8 | -16.7 | 0 | 0 | 112.5 | T190 I194 Y313 | T190-Q192 PolarHBondContact OG1-OE1 2.98Å; Q192-I194 VanDerWaalsContact C-N 3.25Å; Q192-I194 HydrophobicContact CB-CD1 4.29Å; Q192-I194 HydrophobicContact CB-CG1 4.38Å; Q192-I194 PolarHBondContact O-N 2.93Å; Q192-Y313 PolarHBondContact NE2-O 2.8Å |
| 193 | G | 80.8 | Confident | 89 | Confident | 33 Ų | 33 | 20 Ų | 20 | 34% | 0.34 | 11% | 0.109 | S | C | . | . | S | Bend | trans | 75 | 11.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 194 | I | 85.4 | Confident | 89.2 | Confident | 88 Ų | 88 | 19.8 Ų | 19.8 | 45% | 0.451 | 11% | 0.109 | S | C | . | . | trans | -88.4 | 117.3 | 179 | -56.9 | 173.3 | 0 | 0 | 0 | 108.4 | G187 D188 Q192 | G187-I194 CarbonylContact C-O 3.59Å; G187-I194 WeakPolarHBondContact CA-O 3.08Å; D188-I194 HydrophobicContact CB-CB 4.34Å; D188-I194 HydrophobicContact CB-CG2 4.48Å; D188-I194 PolarHBondContact N-O 2.81Å; Q192-I194 VanDerWaalsContact C-N 3.25Å; Q192-I194 HydrophobicContact CB-CD1 4.29Å; Q192-I194 HydrophobicContact CB-CG1 4.38Å; Q192-I194 PolarHBondContact O-N 2.93Å | ||
| 195 | S | 88.5 | Confident | 89.5 | Confident | 40 Ų | 40 | 18.7 Ų | 18.7 | 28% | 0.28 | 10% | 0.104 | S | C | . | . | trans | -73.6 | 152.4 | 172.2 | 63 | 0 | 0 | 0 | 0 | 111.9 | A179 D180 | A179-S195 WeakPolarHBondContact O-CB 3.47Å; A179-S195 PolarHBondContact O-OG 3.15Å; D180-S195 WeakPolarHBondContact O-CA 3.29Å; D180-S195 WeakPolarHBondContact O-CB 3.35Å | ||
| 196 | E | 88.1 | Confident | 89.8 | Confident | 11 Ų | 11 | 17 Ų | 17 | 5% | 0.051 | 10% | 0.097 | C | C | . | . | B | Isolated β-bridge | trans | -142.5 | 168 | 174 | 68 | 176.7 | 179.3 | 0 | 0 | 110.7 | D180 D188 N198 S250 T251 S252 K253 | D180-E196 PolarHBondContact N-O 3.31Å; D180-E196 PolarHBondContact O-N 2.94Å; D180-E196 VanDerWaalsContact O-O 3.11Å; D188-E196 HydrophobicContact CB-CG 4.49Å; E196-N198 PolarHBondContact O-N 3.44Å; E196-N198 PolarHBondContact O-ND2 3.29Å; E196-N198 VanDerWaalsContact O-ND2 3.14Å; E196-S250 WeakPolarHBondContact OE1-CB 3.47Å; E196-S250 PolarHBondContact OE1-OG 2.97Å; E196-S250 PolarHBondContact OE2-OG 3.49Å; E196-S250 VanDerWaalsContact OE2-OG 3.13Å; E196-T251 PolarHBondContact OE2-OG1 2.97Å; E196-S252 PolarHBondContact OE1-OG 3.25Å; E196-S252 WeakPolarHBondContact OE2-CB 3.24Å; E196-S252 PolarHBondContact OE2-N 2.85Å; E196-S252 PolarHBondContact OE2-OG 3.39Å; E196-K253 IonicContact OE1-NZ 3.66Å; E196-K253 PolarHBondContact OE1-NZ 3.35Å |
| 197 | L | 89.1 | Confident | 90.4 | Very high | 38 Ų | 38 | 15.8 Ų | 15.8 | 20% | 0.199 | 9% | 0.092 | C | C | . | . | trans | -79 | 104.5 | 177 | -169.4 | 68.6 | 0 | 0 | 0 | 109.8 | A175 V202 I241 L245 S250 | A175-L197 VanDerWaalsContact O-CD1 3.32Å; A175-L197 WeakPolarHBondContact O-CD1 3.28Å; L197-V202 HydrophobicContact CD1-CG2 3.86Å; L197-V202 HydrophobicContact CG-CG2 4.18Å; L197-I241 HydrophobicContact CD2-CD1 3.92Å; L197-I241 HydrophobicContact CD2-CG2 3.82Å; L197-L245 HydrophobicContact CD2-CD1 4.3Å; L197-L245 HydrophobicContact CG-CD1 4.41Å; L197-S250 WeakPolarHBondContact O-CB 3.46Å | ||
| 198 | N | 92.6 | Very high | 91 | Very high | 4 Ų | 4 | 15.8 Ų | 15.8 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | trans | -92.9 | 123.1 | 179.7 | -65.4 | -80.3 | 0 | 0 | 0 | 111.3 | D180 G182 E196 S200 S201 V202 K253 | D180-N198 PolarHBondContact O-ND2 2.95Å; D180-N198 PolarHBondContact OD1-ND2 3.38Å; G182-N198 PolarHBondContact N-ND2 3.48Å; E196-N198 PolarHBondContact O-N 3.44Å; E196-N198 PolarHBondContact O-ND2 3.29Å; E196-N198 VanDerWaalsContact O-ND2 3.14Å; N198-S200 PolarHBondContact O-N 2.97Å; N198-S201 WeakPolarHBondContact O-CB 3.28Å; N198-S201 PolarHBondContact O-N 3.21Å; N198-V202 PolarHBondContact O-N 3.24Å; N198-V202 VanDerWaalsContact O-N 3.1Å; N198-K253 PolarHBondContact OD1-NZ 3.46Å | ||
| 199 | A | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62 | -26.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | G203 L242 L245 A249 L259 | A199-G203 PolarHBondContact O-N 3Å; A199-L242 HydrophobicContact CB-CD1 4.15Å; A199-L245 HydrophobicContact CB-CB 4.05Å; A199-L245 HydrophobicContact CB-CD1 3.84Å; A199-A249 WeakPolarHBondContact CB-O 3.27Å; A199-A249 PolarHBondContact N-O 2.87Å; A199-L259 HydrophobicContact CB-CD2 3.77Å |
| 200 | S | 95.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 18 Ų | 18 | 4% | 0.035 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.4 | -45.3 | 170.8 | 43.7 | 0 | 0 | 0 | 0 | 112.1 | N198 M204 | N198-S200 PolarHBondContact O-N 2.97Å; S200-M204 WeakPolarHBondContact O-CB 3.49Å; S200-M204 PolarHBondContact O-N 3.42Å; S200-M204 VanDerWaalsContact O-N 3.07Å |
| 201 | S | 96.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.6 | -47.2 | 175.8 | -59 | 0 | 0 | 0 | 0 | 112.5 | D180 N198 G203 M204 A205 | D180-S201 VanDerWaalsContact CG-OG 3.3Å; D180-S201 PolarHBondContact OD1-OG 3.36Å; D180-S201 VanDerWaalsContact OD2-CB 3.25Å; D180-S201 WeakPolarHBondContact OD2-CB 3.46Å; D180-S201 PolarHBondContact OD2-OG 2.92Å; N198-S201 WeakPolarHBondContact O-CB 3.28Å; N198-S201 PolarHBondContact O-N 3.21Å; S201-G203 PolarHBondContact O-N 3.15Å; S201-M204 PolarHBondContact O-N 2.96Å; S201-A205 WeakPolarHBondContact O-CB 3.46Å; S201-A205 PolarHBondContact O-N 3.09Å |
| 202 | V | 96.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 178.4 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | A175 L197 N198 A205 K206 C238 I241 | A175-V202 WeakPolarHBondContact O-CG2 3.45Å; L197-V202 HydrophobicContact CD1-CG2 3.86Å; L197-V202 HydrophobicContact CG-CG2 4.18Å; N198-V202 PolarHBondContact O-N 3.24Å; N198-V202 VanDerWaalsContact O-N 3.1Å; V202-A205 PolarHBondContact O-N 3Å; V202-K206 PolarHBondContact O-N 3.43Å; V202-C238 HydrophobicContact CG1-CB 4.04Å; V202-I241 HydrophobicContact CB-CG2 4.38Å; V202-I241 HydrophobicContact CG1-CB 4.38Å; V202-I241 HydrophobicContact CG1-CG2 3.85Å; V202-I241 HydrophobicContact CG2-CG2 3.95Å |
| 203 | G | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A199 S201 A207 A269 | A199-G203 PolarHBondContact O-N 3Å; S201-G203 PolarHBondContact O-N 3.15Å; G203-A207 PolarHBondContact O-N 2.87Å; G203-A207 VanDerWaalsContact O-N 3.11Å; G203-A269 VanDerWaalsContact O-CB 3.28Å; G203-A269 WeakPolarHBondContact O-CB 3.21Å |
| 204 | M | 98.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 19.7 Ų | 19.7 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.4 | -39.9 | 174.6 | -162.4 | 62.2 | 57.4 | 0 | 0 | 111.5 | V140 L143 S200 S201 A207 A208 P266 A267 | V140-M204 HydrophobicContact CB-CG 3.92Å; V140-M204 HydrophobicContact CB-SD 3.94Å; V140-M204 HydrophobicContact CG2-SD 3.98Å; L143-M204 HydrophobicContact CD2-SD 3.66Å; S200-M204 WeakPolarHBondContact O-CB 3.49Å; S200-M204 PolarHBondContact O-N 3.42Å; S200-M204 VanDerWaalsContact O-N 3.07Å; S201-M204 PolarHBondContact O-N 2.96Å; M204-A207 PolarHBondContact O-N 3.34Å; M204-A208 WeakPolarHBondContact O-CB 3.3Å; M204-A208 PolarHBondContact O-N 3.46Å; M204-P266 HydrophobicContact CE-CG 4.08Å; M204-P266 HydrophobicContact SD-CG 4.36Å; M204-A267 HydrophobicContact CE-CB 4.15Å; M204-A267 HydrophobicContact SD-CB 4.24Å |
| 205 | A | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.6 | -48.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S139 I172 A175 S201 V202 A207 A208 L209 | S139-A205 VanDerWaalsContact OG-CA 3.28Å; S139-A205 WeakPolarHBondContact OG-CA 3.46Å; S139-A205 WeakPolarHBondContact OG-CB 3.45Å; I172-A205 HydrophobicContact CB-CB 4.43Å; I172-A205 HydrophobicContact CD1-CB 4.49Å; A175-A205 HydrophobicContact CB-CB 3.51Å; S201-A205 WeakPolarHBondContact O-CB 3.46Å; S201-A205 PolarHBondContact O-N 3.09Å; V202-A205 PolarHBondContact O-N 3Å; A205-A207 VanDerWaalsContact C-N 3.29Å; A205-A207 PolarHBondContact O-N 3.09Å; A205-A208 PolarHBondContact O-N 2.86Å; A205-L209 WeakPolarHBondContact O-CB 3.36Å; A205-L209 VanDerWaalsContact O-CG 3.22Å; A205-L209 WeakPolarHBondContact O-CG 3.22Å; A205-L209 PolarHBondContact O-N 3.01Å |
| 206 | K | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -51.8 | -48.5 | 172.9 | -179.3 | 170.7 | -175.7 | -82.3 | 0 | 111.8 | V202 A208 L209 E210 V235 C238 Q239 A269 | V202-K206 PolarHBondContact O-N 3.43Å; K206-A208 PolarHBondContact O-N 2.93Å; K206-L209 PolarHBondContact O-N 3.41Å; K206-E210 WeakPolarHBondContact CE-OE1 3.31Å; K206-E210 HydrophobicContact CG-CG 4.4Å; K206-E210 IonicContact NZ-OE1 2.7Å; K206-E210 PolarHBondContact NZ-OE1 3.01Å; K206-E210 IonicContact NZ-OE2 2.76Å; K206-E210 WeakPolarHBondContact O-CB 3.35Å; K206-E210 WeakPolarHBondContact O-CG 3.26Å; K206-E210 PolarHBondContact O-N 2.74Å; K206-V235 HydrophobicContact CG-CG1 4.33Å; K206-C238 HydrophobicContact CB-CB 3.97Å; K206-C238 HydrophobicContact CG-CB 4.44Å; K206-Q239 HydrophobicContact CD-CB 4.13Å; K206-A269 HydrophobicContact CB-CB 4.49Å; K206-A269 HydrophobicContact CD-CB 4.45Å; K206-A269 PolarHBondContact NZ-O 3.21Å |
| 207 | A | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.6 | -36.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L143 G203 M204 A205 A211 A267 A269 R428 | L143-A207 HydrophobicContact CD1-CB 4.36Å; L143-A207 HydrophobicContact CD2-CB 4.17Å; G203-A207 PolarHBondContact O-N 2.87Å; G203-A207 VanDerWaalsContact O-N 3.11Å; M204-A207 PolarHBondContact O-N 3.34Å; A205-A207 VanDerWaalsContact C-N 3.29Å; A205-A207 PolarHBondContact O-N 3.09Å; A207-A211 WeakPolarHBondContact O-CB 3.34Å; A207-A211 PolarHBondContact O-N 2.73Å; A207-A267 HydrophobicContact CB-CB 3.59Å; A207-A267 WeakPolarHBondContact CB-O 3.47Å; A207-A269 HydrophobicContact CB-CB 4.38Å; A207-R428 PolarHBondContact O-NH1 3.39Å |
| 208 | A | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.1 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S139 L142 L143 I172 M204 A205 K206 A211 L212 | S139-A208 VanDerWaalsContact O-CB 3.3Å; S139-A208 WeakPolarHBondContact O-CB 3.11Å; L142-A208 HydrophobicContact CB-CB 3.95Å; L143-A208 HydrophobicContact CB-CB 4.18Å; I172-A208 HydrophobicContact CD1-CB 3.66Å; M204-A208 WeakPolarHBondContact O-CB 3.3Å; M204-A208 PolarHBondContact O-N 3.46Å; A205-A208 PolarHBondContact O-N 2.86Å; K206-A208 PolarHBondContact O-N 2.93Å; A208-A211 PolarHBondContact O-N 3.47Å; A208-L212 WeakPolarHBondContact O-CB 3.29Å; A208-L212 WeakPolarHBondContact O-CG 3.25Å; A208-L212 PolarHBondContact O-N 3.05Å; A208-L212 VanDerWaalsContact O-N 3.1Å |
| 209 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.1 | -53.9 | 175.1 | -70.1 | 167.8 | 0 | 0 | 0 | 110.9 | V169 I172 E173 A205 K206 A211 L212 D213 V230 V235 | V169-L209 HydrophobicContact CG1-CD2 3.88Å; I172-L209 HydrophobicContact CD1-CD2 3.99Å; I172-L209 HydrophobicContact CD1-CG 3.87Å; I172-L209 HydrophobicContact CG1-CD2 3.97Å; I172-L209 HydrophobicContact CG1-CG 4.27Å; E173-L209 HydrophobicContact CB-CD2 4.26Å; A205-L209 WeakPolarHBondContact O-CB 3.36Å; A205-L209 VanDerWaalsContact O-CG 3.22Å; A205-L209 WeakPolarHBondContact O-CG 3.22Å; A205-L209 PolarHBondContact O-N 3.01Å; K206-L209 PolarHBondContact O-N 3.41Å; L209-A211 PolarHBondContact O-N 3.34Å; L209-L212 PolarHBondContact O-N 3.1Å; L209-D213 PolarHBondContact O-N 2.81Å; L209-D213 VanDerWaalsContact O-N 3.16Å; L209-V230 HydrophobicContact CB-CG1 4.01Å; L209-V230 HydrophobicContact CD2-CG1 3.94Å; L209-V235 HydrophobicContact CB-CG2 3.87Å; L209-V235 HydrophobicContact CD1-CG2 4.34Å |
| 210 | E | 96.1 | Very high | 95.4 | Very high | 59 Ų | 59 | 24.3 Ų | 24.3 | 28% | 0.276 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -64.8 | -20.9 | 177.2 | -72.4 | 176 | 161.1 | 0 | 0 | 114.6 | K206 V235 R428 | K206-E210 WeakPolarHBondContact CE-OE1 3.31Å; K206-E210 HydrophobicContact CG-CG 4.4Å; K206-E210 IonicContact NZ-OE1 2.7Å; K206-E210 PolarHBondContact NZ-OE1 3.01Å; K206-E210 IonicContact NZ-OE2 2.76Å; K206-E210 WeakPolarHBondContact O-CB 3.35Å; K206-E210 WeakPolarHBondContact O-CG 3.26Å; K206-E210 PolarHBondContact O-N 2.74Å; E210-V235 HydrophobicContact CG-CG1 3.67Å; E210-R428 IonicContact OE2-CZ 3.1Å; E210-R428 VanDerWaalsContact OE2-CZ 3.28Å; E210-R428 IonicContact OE2-NH1 3.79Å; E210-R428 PolarHBondContact OE2-NH1 2.63Å; E210-R428 IonicContact OE2-NH2 3.3Å; E210-R428 PolarHBondContact OE2-NH2 2.87Å |
| 211 | A | 96.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 33 Ų | 33 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -86.8 | -20.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L143 A146 A207 A208 L209 L426 | L143-A211 HydrophobicContact CD1-CB 3.73Å; A146-A211 HydrophobicContact CB-CB 3.76Å; A146-A211 WeakPolarHBondContact CB-O 3.38Å; A207-A211 WeakPolarHBondContact O-CB 3.34Å; A207-A211 PolarHBondContact O-N 2.73Å; A208-A211 PolarHBondContact O-N 3.47Å; L209-A211 PolarHBondContact O-N 3.34Å; A211-L426 HydrophobicContact CB-CD1 3.78Å; A211-L426 WeakPolarHBondContact O-CD1 3.32Å |
| 212 | L | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -97.1 | -19.6 | 179.8 | -75.1 | 173.7 | 0 | 0 | 0 | 113.7 | L142 A146 V169 A208 L209 E214 L215 L217 I228 V230 | L142-L212 HydrophobicContact CB-CD1 3.98Å; L142-L212 HydrophobicContact CD1-CD1 4.31Å; L142-L212 HydrophobicContact CD2-CD1 4.11Å; L142-L212 HydrophobicContact CG-CD1 4.35Å; A146-L212 HydrophobicContact CB-CD2 4.01Å; A146-L212 HydrophobicContact CB-CG 4.38Å; V169-L212 HydrophobicContact CG2-CD1 3.73Å; A208-L212 WeakPolarHBondContact O-CB 3.29Å; A208-L212 WeakPolarHBondContact O-CG 3.25Å; A208-L212 PolarHBondContact O-N 3.05Å; A208-L212 VanDerWaalsContact O-N 3.1Å; L209-L212 PolarHBondContact O-N 3.1Å; L212-E214 PolarHBondContact O-N 3.12Å; L212-L215 HydrophobicContact CD2-CD2 4.15Å; L212-L215 WeakPolarHBondContact O-CB 3.31Å; L212-L215 PolarHBondContact O-N 2.79Å; L212-L215 VanDerWaalsContact O-N 3.11Å; L212-L217 HydrophobicContact CD2-CD2 4.23Å; L212-I228 HydrophobicContact CB-CG2 3.95Å; L212-I228 WeakPolarHBondContact O-CB 3.36Å; L212-V230 HydrophobicContact CB-CG2 4.46Å |
| 213 | D | 94.4 | Very high | 93.3 | Very high | 48 Ų | 48 | 35.8 Ų | 35.8 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 129.1 | -178.9 | -159.3 | 26.8 | 0 | 0 | 0 | 111.7 | L209 L215 V230 | L209-D213 PolarHBondContact O-N 2.81Å; L209-D213 VanDerWaalsContact O-N 3.16Å; D213-L215 PolarHBondContact O-N 2.85Å; D213-L215 VanDerWaalsContact O-N 3.1Å; D213-V230 HydrophobicContact CB-CB 3.84Å; D213-V230 HydrophobicContact CB-CG2 4Å; D213-V230 PolarHBondContact OD1-N 2.76Å |
| 214 | E | 91.8 | Very high | 92.7 | Very high | 106 Ų | 106 | 39.3 Ų | 39.3 | 50% | 0.495 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 15.3 | -174.3 | -53.7 | -170.6 | 155.5 | 0 | 0 | 114.9 | L212 I228 | L212-E214 PolarHBondContact O-N 3.12Å; E214-I228 WeakPolarHBondContact CA-O 3.39Å; E214-I228 PolarHBondContact N-O 2.89Å |
| 215 | L | 94.4 | Very high | 92.1 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | trans | -83.9 | 127.6 | 178.2 | -174.5 | 73.4 | 0 | 0 | 0 | 112.5 | A146 L212 D213 L217 V227 I228 | A146-L215 HydrophobicContact CB-CD2 3.66Å; L212-L215 HydrophobicContact CD2-CD2 4.15Å; L212-L215 WeakPolarHBondContact O-CB 3.31Å; L212-L215 PolarHBondContact O-N 2.79Å; L212-L215 VanDerWaalsContact O-N 3.11Å; D213-L215 PolarHBondContact O-N 2.85Å; D213-L215 VanDerWaalsContact O-N 3.1Å; L215-L217 HydrophobicContact CD2-CD2 4.39Å; L215-V227 WeakPolarHBondContact O-CA 3.45Å; L215-I228 PolarHBondContact O-N 2.85Å | ||
| 216 | D | 95.1 | Very high | 91.8 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 16% | 0.16 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -80.2 | 116.2 | 167.8 | -166.6 | -32.2 | 0 | 0 | 0 | 111.7 | F218 G219 G222 G223 S226 V227 | D216-F218 VanDerWaalsContact C-N 3.27Å; D216-F218 PolarHBondContact O-N 3.28Å; D216-F218 PolarHBondContact OD1-N 2.73Å; D216-G219 WeakPolarHBondContact O-CA 3.49Å; D216-G219 PolarHBondContact O-N 2.93Å; D216-G222 WeakPolarHBondContact OD2-CA 3.18Å; D216-G223 PolarHBondContact OD2-N 2.96Å; D216-S226 VanDerWaalsContact CG-OG 3.25Å; D216-S226 VanDerWaalsContact OD1-CB 3.28Å; D216-S226 WeakPolarHBondContact OD1-CB 3.45Å; D216-S226 PolarHBondContact OD1-OG 3.31Å; D216-S226 PolarHBondContact OD2-OG 3.17Å; D216-V227 HydrophobicContact CB-CG2 4.29Å |
| 217 | L | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -12.6 | -178.7 | -70.6 | 177.9 | 0 | 0 | 0 | 114.8 | L145 I156 V162 I165 L212 L215 S226 I228 | L145-L217 HydrophobicContact CD2-CD2 4.3Å; L145-L217 HydrophobicContact CG-CD2 4.43Å; I156-L217 HydrophobicContact CB-CB 4.1Å; I156-L217 HydrophobicContact CG1-CB 4.07Å; I156-L217 HydrophobicContact CG1-CD1 4.28Å; I156-L217 HydrophobicContact CG1-CD2 4.3Å; I156-L217 HydrophobicContact CG1-CG 4.47Å; I156-L217 HydrophobicContact CG2-CB 4.29Å; V162-L217 HydrophobicContact CB-CD1 4.42Å; V162-L217 HydrophobicContact CG1-CD1 4.29Å; V162-L217 HydrophobicContact CG2-CB 4.27Å; V162-L217 HydrophobicContact CG2-CD1 4.19Å; I165-L217 HydrophobicContact CB-CD1 3.79Å; I165-L217 HydrophobicContact CG1-CD1 4.03Å; I165-L217 HydrophobicContact CG2-CD1 3.79Å; L212-L217 HydrophobicContact CD2-CD2 4.23Å; L215-L217 HydrophobicContact CD2-CD2 4.39Å; L217-S226 PolarHBondContact N-O 3.27Å; L217-I228 HydrophobicContact CD1-CD1 3.69Å; L217-I228 HydrophobicContact CD1-CG1 3.51Å; L217-I228 HydrophobicContact CD2-CG1 4.41Å; L217-I228 HydrophobicContact CG-CD1 4.49Å; L217-I228 HydrophobicContact CG-CG1 3.79Å |
| 218 | F | 94.8 | Very high | 91.6 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 1.8 | 167 | -58.1 | -32.5 | 0 | 0 | 0 | 112.1 | I156 L159 V162 D216 S226 | I156-F218 HydrophobicContact CG2-CE1 4.07Å; I156-F218 WeakPolarHBondContact O-CD1 3.45Å; L159-F218 HydrophobicContact CD2-CE2 3.92Å; L159-F218 HydrophobicContact CD2-CZ 4.16Å; V162-F218 HydrophobicContact CG2-CE1 4.21Å; V162-F218 HydrophobicContact CG2-CZ 4.09Å; D216-F218 VanDerWaalsContact C-N 3.27Å; D216-F218 PolarHBondContact O-N 3.28Å; D216-F218 PolarHBondContact OD1-N 2.73Å; F218-S226 VanDerWaalsContact CD2-OG 3.27Å; F218-S226 WeakPolarHBondContact CD2-OG 3.49Å |
| 219 | G | 90.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 24% | 0.237 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | 61 | -142.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D216 K221 G222 | D216-G219 WeakPolarHBondContact O-CA 3.49Å; D216-G219 PolarHBondContact O-N 2.93Å; G219-K221 PolarHBondContact O-N 3.43Å; G219-G222 PolarHBondContact O-N 2.89Å |
| 220 | V | 82.9 | Confident | 91.2 | Very high | 157 Ų | 157 | 46 Ų | 46 | 95% | 0.952 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -64.5 | 7.2 | -175.2 | -147 | 0 | 0 | 0 | 0 | 114.9 | ||
| 221 | K | 79.6 | Confident | 90.9 | Very high | 189 Ų | 189 | 43.6 Ų | 43.6 | 82% | 0.822 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -121.4 | -1.9 | 177.7 | -65.8 | -176.9 | -178.7 | 175.7 | 0 | 113.7 | G219 | G219-K221 PolarHBondContact O-N 3.43Š|
| 222 | G | 81.8 | Confident | 90.6 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 33% | 0.33 | 25% | 0.251 | S | S | . | . | trans | -80.3 | -160 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | D216 G219 | D216-G222 WeakPolarHBondContact OD2-CA 3.18Å; G219-G222 PolarHBondContact O-N 2.89Å | ||
| 223 | G | 84.1 | Confident | 90.2 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | trans | -162.4 | -176.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D216 Q225 S226 | D216-G223 PolarHBondContact OD2-N 2.96Å; G223-Q225 PolarHBondContact O-N 3.05Å; G223-S226 PolarHBondContact N-OG 2.89Å; G223-S226 VanDerWaalsContact N-OG 3.15Å; G223-S226 PolarHBondContact O-N 3.33Å; G223-S226 PolarHBondContact O-OG 3.28Å | ||
| 224 | P | 84.8 | Confident | 89.9 | Confident | 74 Ų | 74 | 43 Ų | 43 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -13.2 | -168.5 | -25.6 | 35.2 | 0 | 0 | 0 | 115.9 | S617 | P224-S617 WeakPolarHBondContact O-CB 3.34Å; P224-S617 PolarHBondContact O-OG 3.25Å |
| 225 | Q | 85.8 | Confident | 89.9 | Confident | 94 Ų | 94 | 38.6 Ų | 38.6 | 44% | 0.439 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -9.3 | 175.3 | -66.6 | -177 | -22.6 | 0 | 0 | 114.5 | L159 G223 | L159-Q225 HydrophobicContact CD1-CB 4.4Å; L159-Q225 HydrophobicContact CD2-CB 4.04Å; L159-Q225 WeakPolarHBondContact CD2-O 3.33Å; G223-Q225 PolarHBondContact O-N 3.05Å |
| 226 | S | 92.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -104.6 | 5.1 | 175.4 | 51 | 0 | 0 | 0 | 0 | 114 | D216 L217 F218 G223 | D216-S226 VanDerWaalsContact CG-OG 3.25Å; D216-S226 VanDerWaalsContact OD1-CB 3.28Å; D216-S226 WeakPolarHBondContact OD1-CB 3.45Å; D216-S226 PolarHBondContact OD1-OG 3.31Å; D216-S226 PolarHBondContact OD2-OG 3.17Å; L217-S226 PolarHBondContact N-O 3.27Å; F218-S226 VanDerWaalsContact CD2-OG 3.27Å; F218-S226 WeakPolarHBondContact CD2-OG 3.49Å; G223-S226 PolarHBondContact N-OG 2.89Å; G223-S226 VanDerWaalsContact N-OG 3.15Å; G223-S226 PolarHBondContact O-N 3.33Å; G223-S226 PolarHBondContact O-OG 3.28Å |
| 227 | V | 93.8 | Very high | 89.2 | Confident | 32 Ų | 32 | 37.4 Ų | 37.4 | 19% | 0.194 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -78.5 | 134.7 | 173.4 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | L215 D216 | L215-V227 WeakPolarHBondContact O-CA 3.45Å; D216-V227 HydrophobicContact CB-CG2 4.29Å |
| 228 | I | 95.8 | Very high | 89 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -91.5 | 140.7 | 170.1 | -65.1 | -65.7 | 0 | 0 | 0 | 109.8 | V162 I165 Q166 V169 L212 E214 L215 L217 V230 | V162-I228 HydrophobicContact CG1-CD1 4.14Å; I165-I228 HydrophobicContact CB-CD1 4.35Å; I165-I228 HydrophobicContact CG2-CD1 4.11Å; I165-I228 HydrophobicContact CG2-CG1 4.35Å; Q166-I228 HydrophobicContact CB-CD1 3.77Å; V169-I228 HydrophobicContact CG2-CG2 3.88Å; L212-I228 HydrophobicContact CB-CG2 3.95Å; L212-I228 WeakPolarHBondContact O-CB 3.36Å; E214-I228 WeakPolarHBondContact CA-O 3.39Å; E214-I228 PolarHBondContact N-O 2.89Å; L215-I228 PolarHBondContact O-N 2.85Å; L217-I228 HydrophobicContact CD1-CD1 3.69Å; L217-I228 HydrophobicContact CD1-CG1 3.51Å; L217-I228 HydrophobicContact CD2-CG1 4.41Å; L217-I228 HydrophobicContact CG-CD1 4.49Å; L217-I228 HydrophobicContact CG-CG1 3.79Å; I228-V230 HydrophobicContact CG2-CG2 4.36Å | ||
| 229 | H | 94.1 | Very high | 88.8 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.046 | 21% | 0.209 | C | C | . | . | trans | -117.6 | 138 | 176.1 | -58.8 | -75.1 | 0 | 0 | 0 | 110.8 | Q166 L486 H615 F618 | Q166-H229 PolarHBondContact NE2-O 3.1Å; Q166-H229 PolarHBondContact OE1-O 2.84Å; H229-L486 HydrophobicContact CB-CD2 3.92Å; H229-H615 PolarHBondContact CE1-O 2.64Å; H229-H615 VanDerWaalsContact CE1-O 3.3Å; H229-F618 AromaticContact CD2-CD1 3.71Å; H229-F618 AromaticContact CD2-CE1 3.9Å; H229-F618 AromaticContact NE2-CD1 3.74Å | ||
| 230 | V | 94.4 | Very high | 88.5 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | trans | -125.9 | 152.2 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | V169 L209 L212 D213 I228 V235 | V169-V230 HydrophobicContact CG1-CG2 4.06Å; L209-V230 HydrophobicContact CB-CG1 4.01Å; L209-V230 HydrophobicContact CD2-CG1 3.94Å; L212-V230 HydrophobicContact CB-CG2 4.46Å; D213-V230 HydrophobicContact CB-CB 3.84Å; D213-V230 HydrophobicContact CB-CG2 4Å; D213-V230 PolarHBondContact OD1-N 2.76Å; I228-V230 HydrophobicContact CG2-CG2 4.36Å; V230-V235 HydrophobicContact CG1-CG2 3.81Å | ||
| 231 | L | 91.1 | Very high | 88.7 | Confident | 8 Ų | 8 | 27.5 Ų | 27.5 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | trans | -96 | 122.1 | 176 | -63 | -174.5 | 0 | 0 | 0 | 111 | D233 E234 V235 Y483 M502 | L231-D233 PolarHBondContact O-N 3.46Å; L231-E234 HydrophobicContact CB-CG 4.03Å; L231-E234 PolarHBondContact O-N 2.93Å; L231-V235 PolarHBondContact O-N 2.91Å; L231-Y483 HydrophobicContact CD2-CD1 4.04Å; L231-Y483 HydrophobicContact CD2-CD2 4.27Å; L231-Y483 HydrophobicContact CD2-CE1 3.68Å; L231-Y483 HydrophobicContact CD2-CE2 3.92Å; L231-Y483 HydrophobicContact CD2-CG 4.32Å; L231-M502 HydrophobicContact CD1-CE 4.13Å; L231-M502 HydrophobicContact CD1-SD 3.88Å; L231-M502 HydrophobicContact CD2-CE 3.67Å; L231-M502 HydrophobicContact CD2-SD 4.38Å | ||
| 232 | A | 90.4 | Very high | 89.2 | Confident | 16 Ų | 16 | 18.5 Ų | 18.5 | 13% | 0.132 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.3 | -29.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V235 Q236 L505 M556 | A232-V235 PolarHBondContact O-N 3.37Å; A232-Q236 PolarHBondContact O-N 3.05Å; A232-L505 HydrophobicContact CB-CB 3.92Å; A232-L505 HydrophobicContact CB-CD1 4.18Å; A232-M556 HydrophobicContact CB-SD 4.14Å |
| 233 | D | 88 | Confident | 89.5 | Confident | 15 Ų | 15 | 19.4 Ų | 19.4 | 8% | 0.08 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.9 | -48.5 | 176.2 | -53.1 | -87.4 | 0 | 0 | 0 | 111.6 | L231 V235 Q236 H237 G503 V504 L505 G506 | L231-D233 PolarHBondContact O-N 3.46Å; D233-V235 VanDerWaalsContact C-N 3.29Å; D233-V235 PolarHBondContact O-N 3.39Å; D233-Q236 PolarHBondContact O-N 3.2Å; D233-H237 PolarHBondContact O-CD2 3.18Å; D233-H237 PolarHBondContact O-N 3.39Å; D233-G503 VanDerWaalsContact OD1-C 3.25Å; D233-G503 VanDerWaalsContact OD1-CA 3.26Å; D233-G503 WeakPolarHBondContact OD1-CA 3.25Å; D233-V504 PolarHBondContact OD1-N 2.97Å; D233-L505 VanDerWaalsContact OD1-CB 3.25Å; D233-L505 WeakPolarHBondContact OD1-CB 3.36Å; D233-L505 WeakPolarHBondContact OD1-CG 3.46Å; D233-L505 PolarHBondContact OD1-N 3.42Å; D233-G506 PolarHBondContact OD2-N 3.44Å |
| 234 | E | 87.9 | Confident | 89.5 | Confident | 11 Ų | 11 | 19 Ų | 19 | 5% | 0.051 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.1 | -37 | 177.3 | -48.7 | -86.6 | -162.4 | 0 | 0 | 110.8 | E173 Y176 L231 H237 C238 R497 R500 | E173-E234 HydrophobicContact CB-CB 4.25Å; E173-E234 HydrophobicContact CB-CG 4.49Å; Y176-E234 HydrophobicContact CE1-CB 4.4Å; Y176-E234 WeakPolarHBondContact CE1-OE2 3.4Å; Y176-E234 PolarHBondContact OH-OE2 3.41Å; L231-E234 HydrophobicContact CB-CG 4.03Å; L231-E234 PolarHBondContact O-N 2.93Å; E234-H237 PolarHBondContact O-N 2.98Å; E234-C238 PolarHBondContact O-N 2.95Å; E234-C238 VanDerWaalsContact O-N 3.15Å; E234-R497 IonicContact OE1-CZ 2.71Å; E234-R497 IonicContact OE1-NH2 3.64Å; E234-R497 PolarHBondContact OE1-NH2 2.89Å; E234-R500 IonicContact OE1-CZ 3.98Å; E234-R500 IonicContact OE1-NH1 3.73Å; E234-R500 PolarHBondContact OE1-NH1 3.1Å; E234-R500 IonicContact OE2-NH1 3.65Å |
| 235 | V | 92.6 | Very high | 89.6 | Confident | 13 Ų | 13 | 15.9 Ų | 15.9 | 8% | 0.079 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 172.9 | 174.5 | 0 | 0 | 0 | 0 | 112.3 | K206 L209 E210 V230 L231 A232 D233 C238 Q239 | K206-V235 HydrophobicContact CG-CG1 4.33Å; L209-V235 HydrophobicContact CB-CG2 3.87Å; L209-V235 HydrophobicContact CD1-CG2 4.34Å; E210-V235 HydrophobicContact CG-CG1 3.67Å; V230-V235 HydrophobicContact CG1-CG2 3.81Å; L231-V235 PolarHBondContact O-N 2.91Å; A232-V235 PolarHBondContact O-N 3.37Å; D233-V235 VanDerWaalsContact C-N 3.29Å; D233-V235 PolarHBondContact O-N 3.39Å; V235-C238 WeakPolarHBondContact O-CB 3.39Å; V235-C238 PolarHBondContact O-N 2.97Å; V235-Q239 PolarHBondContact O-N 3.36Å |
| 236 | Q | 88.4 | Confident | 89.9 | Confident | 7 Ų | 7 | 11.7 Ų | 11.7 | 3% | 0.033 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -77.2 | -24 | 177.8 | -73.6 | -65 | -30.7 | 0 | 0 | 113.5 | A232 D233 Q239 S240 L505 R553 | A232-Q236 PolarHBondContact O-N 3.05Å; D233-Q236 PolarHBondContact O-N 3.2Å; Q236-Q239 PolarHBondContact O-N 3.46Å; Q236-S240 WeakPolarHBondContact O-CB 3.43Å; Q236-S240 PolarHBondContact O-N 2.93Å; Q236-S240 PolarHBondContact O-OG 2.86Å; Q236-L505 HydrophobicContact CB-CD1 3.99Å; Q236-L505 HydrophobicContact CG-CD1 3.57Å; Q236-R553 HydrophobicContact CG-CB 4.39Å |
| 237 | H | 85.8 | Confident | 89.9 | Confident | 22 Ų | 22 | 12.6 Ų | 12.6 | 10% | 0.102 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.7 | -46.6 | 165.4 | -68.6 | -63.2 | 0 | 0 | 0 | 111 | Y176 D233 E234 Q239 S240 I241 D847 | Y176-H237 HydrophobicContact CD1-CB 3.69Å; Y176-H237 HydrophobicContact CD2-CB 3.95Å; Y176-H237 HydrophobicContact CE1-CB 3.87Å; Y176-H237 HydrophobicContact CE2-CB 4.11Å; Y176-H237 HydrophobicContact CG-CB 3.74Å; D233-H237 PolarHBondContact O-CD2 3.18Å; D233-H237 PolarHBondContact O-N 3.39Å; E234-H237 PolarHBondContact O-N 2.98Å; H237-Q239 VanDerWaalsContact C-N 3.33Å; H237-Q239 PolarHBondContact O-N 2.98Å; H237-S240 PolarHBondContact O-N 2.95Å; H237-I241 PolarHBondContact O-N 2.58Å; H237-D847 IonicContact ND1-OD1 2.69Å |
| 238 | C | 90.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.9 | -42.2 | 171.2 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | V202 K206 E234 V235 S240 L242 | V202-C238 HydrophobicContact CG1-CB 4.04Å; K206-C238 HydrophobicContact CB-CB 3.97Å; K206-C238 HydrophobicContact CG-CB 4.44Å; E234-C238 PolarHBondContact O-N 2.95Å; E234-C238 VanDerWaalsContact O-N 3.15Å; V235-C238 WeakPolarHBondContact O-CB 3.39Å; V235-C238 PolarHBondContact O-N 2.97Å; C238-S240 VanDerWaalsContact C-N 3.33Å; C238-S240 PolarHBondContact O-N 2.88Å; C238-L242 VanDerWaalsContact O-CB 3.24Å; C238-L242 WeakPolarHBondContact O-CB 3.29Å; C238-L242 PolarHBondContact O-N 2.81Å |
| 239 | Q | 90.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 175.8 | -174.9 | 52.6 | 94.1 | 0 | 0 | 112.7 | K206 V235 Q236 H237 N243 A269 | K206-Q239 HydrophobicContact CD-CB 4.13Å; V235-Q239 PolarHBondContact O-N 3.36Å; Q236-Q239 PolarHBondContact O-N 3.46Å; H237-Q239 VanDerWaalsContact C-N 3.33Å; H237-Q239 PolarHBondContact O-N 2.98Å; Q239-N243 PolarHBondContact NE2-OD1 3.39Å; Q239-N243 WeakPolarHBondContact O-CB 3.46Å; Q239-N243 PolarHBondContact O-N 2.55Å; Q239-A269 PolarHBondContact OE1-O 3.37Å |
| 240 | S | 85.2 | Confident | 89.5 | Confident | 8 Ų | 8 | 13.5 Ų | 13.5 | 6% | 0.056 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -73.5 | -43.4 | -176.6 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | Q236 H237 C238 N243 S244 | Q236-S240 WeakPolarHBondContact O-CB 3.43Å; Q236-S240 PolarHBondContact O-N 2.93Å; Q236-S240 PolarHBondContact O-OG 2.86Å; H237-S240 PolarHBondContact O-N 2.95Å; C238-S240 VanDerWaalsContact C-N 3.33Å; C238-S240 PolarHBondContact O-N 2.88Å; S240-N243 PolarHBondContact O-N 3.17Å; S240-S244 PolarHBondContact O-N 2.96Å |
| 241 | I | 85.4 | Confident | 89.1 | Confident | 8 Ų | 8 | 15.8 Ų | 15.8 | 4% | 0.041 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 170.3 | -75.6 | -81.8 | 0 | 0 | 0 | 111.4 | Y176 L197 V202 H237 N243 S244 L245 S850 | Y176-I241 WeakPolarHBondContact O-CD1 3.49Å; Y176-I241 WeakPolarHBondContact O-CG1 3.46Å; L197-I241 HydrophobicContact CD2-CD1 3.92Å; L197-I241 HydrophobicContact CD2-CG2 3.82Å; V202-I241 HydrophobicContact CB-CG2 4.38Å; V202-I241 HydrophobicContact CG1-CB 4.38Å; V202-I241 HydrophobicContact CG1-CG2 3.85Å; V202-I241 HydrophobicContact CG2-CG2 3.95Å; H237-I241 PolarHBondContact O-N 2.58Å; I241-N243 VanDerWaalsContact C-N 3.34Å; I241-N243 PolarHBondContact O-N 3.48Å; I241-S244 PolarHBondContact O-N 3.32Å; I241-S244 PolarHBondContact O-OG 3.04Å; I241-L245 HydrophobicContact CG2-CD1 3.6Å; I241-L245 HydrophobicContact CG2-CG 4.31Å; I241-L245 WeakPolarHBondContact O-CB 3.21Å; I241-L245 WeakPolarHBondContact O-CG 3.49Å; I241-L245 PolarHBondContact O-N 3.42Å; I241-S850 VanDerWaalsContact CD1-CA 3.44Å |
| 242 | L | 90.4 | Very high | 89 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | -178 | -175 | 61.2 | 0 | 0 | 0 | 111.6 | A199 C238 S244 L246 V262 A269 V270 | A199-L242 HydrophobicContact CB-CD1 4.15Å; C238-L242 VanDerWaalsContact O-CB 3.24Å; C238-L242 WeakPolarHBondContact O-CB 3.29Å; C238-L242 PolarHBondContact O-N 2.81Å; L242-S244 VanDerWaalsContact C-N 3.31Å; L242-S244 PolarHBondContact O-N 3.1Å; L242-L246 HydrophobicContact CD1-CD1 3.87Å; L242-L246 HydrophobicContact CD1-CD2 4.48Å; L242-L246 HydrophobicContact CD1-CG 3.99Å; L242-L246 HydrophobicContact CG-CD1 3.97Å; L242-L246 HydrophobicContact CG-CG 4.44Å; L242-L246 WeakPolarHBondContact O-CG 3.17Å; L242-L246 PolarHBondContact O-N 2.71Å; L242-V262 HydrophobicContact CD1-CG1 3.94Å; L242-V262 HydrophobicContact CD2-CG1 3.89Å; L242-A269 HydrophobicContact CD2-CB 3.94Å; L242-V270 HydrophobicContact CD2-CG2 3.65Å; L242-V270 HydrophobicContact CG-CG2 4.1Å |
| 243 | N | 88.3 | Confident | 89 | Confident | 50 Ų | 50 | 14.9 Ų | 14.9 | 27% | 0.267 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -70.7 | -22 | 178.4 | -82 | 12.5 | 0 | 0 | 0 | 114.2 | Q239 S240 I241 L275 | Q239-N243 PolarHBondContact NE2-OD1 3.39Å; Q239-N243 WeakPolarHBondContact O-CB 3.46Å; Q239-N243 PolarHBondContact O-N 2.55Å; S240-N243 PolarHBondContact O-N 3.17Å; I241-N243 VanDerWaalsContact C-N 3.34Å; I241-N243 PolarHBondContact O-N 3.48Å; N243-L275 HydrophobicContact CB-CD2 4.16Å |
| 244 | S | 83.6 | Confident | 89.2 | Confident | 20 Ų | 20 | 15.1 Ų | 15.1 | 14% | 0.14 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -87.8 | -36.5 | 176.3 | 69.3 | 0 | 0 | 0 | 0 | 112.6 | S240 I241 L242 R248 S850 Q852 | S240-S244 PolarHBondContact O-N 2.96Å; I241-S244 PolarHBondContact O-N 3.32Å; I241-S244 PolarHBondContact O-OG 3.04Å; L242-S244 VanDerWaalsContact C-N 3.31Å; L242-S244 PolarHBondContact O-N 3.1Å; S244-R248 PolarHBondContact O-NH2 2.91Å; S244-S850 WeakPolarHBondContact CB-O 3.46Å; S244-S850 PolarHBondContact OG-O 2.95Å; S244-Q852 VanDerWaalsContact C-NE2 3.28Å; S244-Q852 PolarHBondContact O-NE2 3.35Å |
| 245 | L | 86.9 | Confident | 89.5 | Confident | 9 Ų | 9 | 14.6 Ų | 14.6 | 5% | 0.047 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.8 | -57.1 | 175.6 | -73 | 171.8 | 0 | 0 | 0 | 110.9 | L197 A199 I241 R248 | L197-L245 HydrophobicContact CD2-CD1 4.3Å; L197-L245 HydrophobicContact CG-CD1 4.41Å; A199-L245 HydrophobicContact CB-CB 4.05Å; A199-L245 HydrophobicContact CB-CD1 3.84Å; I241-L245 HydrophobicContact CG2-CD1 3.6Å; I241-L245 HydrophobicContact CG2-CG 4.31Å; I241-L245 WeakPolarHBondContact O-CB 3.21Å; I241-L245 WeakPolarHBondContact O-CG 3.49Å; I241-L245 PolarHBondContact O-N 3.42Å; L245-R248 CarbonylContact C-O 3.57Å; L245-R248 VanDerWaalsContact C-O 3.3Å; L245-R248 WeakPolarHBondContact O-CA 3.34Å; L245-R248 VanDerWaalsContact O-CB 3.27Å; L245-R248 WeakPolarHBondContact O-CB 3.4Å; L245-R248 PolarHBondContact O-N 3.22Å |
| 246 | L | 92.4 | Very high | 89.7 | Confident | 6 Ų | 6 | 14.1 Ų | 14.1 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 145.5 | -172.6 | -68.4 | 178.5 | 0 | 0 | 0 | 113.1 | L242 R248 L259 V263 V270 L275 T279 | L242-L246 HydrophobicContact CD1-CD1 3.87Å; L242-L246 HydrophobicContact CD1-CD2 4.48Å; L242-L246 HydrophobicContact CD1-CG 3.99Å; L242-L246 HydrophobicContact CG-CD1 3.97Å; L242-L246 HydrophobicContact CG-CG 4.44Å; L242-L246 WeakPolarHBondContact O-CG 3.17Å; L242-L246 PolarHBondContact O-N 2.71Å; L246-R248 VanDerWaalsContact C-N 3.28Å; L246-L259 HydrophobicContact CD2-CD1 3.78Å; L246-L259 HydrophobicContact CD2-CD2 4.01Å; L246-L259 HydrophobicContact CD2-CG 4.33Å; L246-V263 HydrophobicContact CD1-CG1 4.13Å; L246-V270 HydrophobicContact CD1-CG2 3.51Å; L246-L275 HydrophobicContact CB-CD1 3.84Å; L246-L275 HydrophobicContact CB-CD2 4.07Å; L246-L275 HydrophobicContact CB-CG 3.97Å; L246-L275 HydrophobicContact CD1-CD2 4.32Å; L246-L275 HydrophobicContact CD1-CG 4.36Å; L246-T279 HydrophobicContact CD2-CG2 4Å |
| 247 | P | 93 | Very high | 90.1 | Very high | 21 Ų | 21 | 13.8 Ų | 13.8 | 14% | 0.136 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -77.1 | 2.1 | -0.1 | 34 | -39.1 | 0 | 0 | 0 | 114.8 | L259 I278 T279 E282 | P247-L259 WeakPolarHBondContact O-CD1 3.04Å; P247-I278 HydrophobicContact CB-CG2 4.19Å; P247-I278 HydrophobicContact CG-CG2 3.93Å; P247-T279 HydrophobicContact CB-CG2 4.44Å; P247-E282 HydrophobicContact CB-CB 4.25Å; P247-E282 HydrophobicContact CB-CG 4.07Å; P247-E282 HydrophobicContact CG-CG 4.02Å |
| 248 | R | 91.4 | Very high | 90.6 | Very high | 60 Ų | 60 | 12.9 Ų | 12.9 | 23% | 0.226 | 7% | 0.069 | C | C | . | . | trans | -73.7 | 145.3 | 176.7 | -60.2 | 168.3 | -63.7 | -54.1 | -0.6 | 109.9 | S244 L245 L246 E254 | S244-R248 PolarHBondContact O-NH2 2.91Å; L245-R248 CarbonylContact C-O 3.57Å; L245-R248 VanDerWaalsContact C-O 3.3Å; L245-R248 WeakPolarHBondContact O-CA 3.34Å; L245-R248 VanDerWaalsContact O-CB 3.27Å; L245-R248 WeakPolarHBondContact O-CB 3.4Å; L245-R248 PolarHBondContact O-N 3.22Å; L246-R248 VanDerWaalsContact C-N 3.28Å; R248-E254 WeakPolarHBondContact CA-O 3.35Å; R248-E254 WeakPolarHBondContact CG-O 3.44Å | ||
| 249 | A | 91.8 | Very high | 91 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | trans | -88.6 | -28.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A199 K253 D256 L259 | A199-A249 WeakPolarHBondContact CB-O 3.27Å; A199-A249 PolarHBondContact N-O 2.87Å; A249-K253 HydrophobicContact CB-CB 3.97Å; A249-K253 PolarHBondContact N-O 3.1Å; A249-D256 HydrophobicContact CB-CB 3.33Å; A249-L259 HydrophobicContact CB-CD1 3.97Å; A249-L259 HydrophobicContact CB-CD2 4.19Å; A249-L259 HydrophobicContact CB-CG 4.23Å | ||
| 250 | S | 90.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.007 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -163.4 | -166.7 | 178.3 | 71 | 0 | 0 | 0 | 0 | 111 | E196 L197 S252 K253 | E196-S250 WeakPolarHBondContact OE1-CB 3.47Å; E196-S250 PolarHBondContact OE1-OG 2.97Å; E196-S250 PolarHBondContact OE2-OG 3.49Å; E196-S250 VanDerWaalsContact OE2-OG 3.13Å; L197-S250 WeakPolarHBondContact O-CB 3.46Å; S250-S252 PolarHBondContact OG-N 2.89Å; S250-K253 PolarHBondContact N-O 3.18Å; S250-K253 WeakPolarHBondContact OG-CB 3.49Å; S250-K253 WeakPolarHBondContact OG-CG 3.46Å; S250-K253 PolarHBondContact OG-N 3.03Å |
| 251 | T | 86.4 | Confident | 91.8 | Very high | 55 Ų | 55 | 12.7 Ų | 12.7 | 34% | 0.337 | 7% | 0.068 | S | C | . | . | S | Bend | trans | -74.6 | -28.9 | 173 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | E196 I1123 K1124 | E196-T251 PolarHBondContact OE2-OG1 2.97Å; T251-I1123 HydrophobicContact CG2-CB 4.46Å; T251-I1123 HydrophobicContact CG2-CG2 4.35Å; T251-I1123 PolarHBondContact O-N 3.21Å; T251-K1124 PolarHBondContact O-N 3.42Å |
| 252 | S | 88.8 | Confident | 92.4 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -103.1 | -7.3 | 179.2 | 71.6 | 0 | 0 | 0 | 0 | 114.9 | K189 E196 S250 E1122 | K189-S252 WeakPolarHBondContact CB-OG 3.45Å; K189-S252 WeakPolarHBondContact CD-O 3.4Å; K189-S252 PolarHBondContact N-OG 3.2Å; E196-S252 PolarHBondContact OE1-OG 3.25Å; E196-S252 WeakPolarHBondContact OE2-CB 3.24Å; E196-S252 PolarHBondContact OE2-N 2.85Å; E196-S252 PolarHBondContact OE2-OG 3.39Å; S250-S252 PolarHBondContact OG-N 2.89Å; S252-E1122 VanDerWaalsContact O-CD 3.23Å; S252-E1122 WeakPolarHBondContact O-CG 3.35Å |
| 253 | K | 91.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 12.7 Ų | 12.7 | 3% | 0.026 | 7% | 0.068 | C | C | . | . | trans | -119 | 105.1 | 177.2 | -56.2 | -176.8 | -164.3 | 81.2 | 0 | 110.9 | G187 K189 E196 N198 A249 S250 V255 F296 | G187-K253 PolarHBondContact O-NZ 2.91Å; K189-K253 HydrophobicContact CB-CG 4.44Å; E196-K253 IonicContact OE1-NZ 3.66Å; E196-K253 PolarHBondContact OE1-NZ 3.35Å; N198-K253 PolarHBondContact OD1-NZ 3.46Å; A249-K253 HydrophobicContact CB-CB 3.97Å; A249-K253 PolarHBondContact N-O 3.1Å; S250-K253 PolarHBondContact N-O 3.18Å; S250-K253 WeakPolarHBondContact OG-CB 3.49Å; S250-K253 WeakPolarHBondContact OG-CG 3.46Å; S250-K253 PolarHBondContact OG-N 3.03Å; K253-V255 PolarHBondContact O-N 3.37Å; K253-F296 HydrophobicContact CD-CB 4.49Å; K253-F296 HydrophobicContact CD-CD1 4.14Å; K253-F296 HydrophobicContact CD-CG 4.18Å | ||
| 254 | E | 91.7 | Very high | 93.1 | Very high | 19 Ų | 19 | 10.6 Ų | 10.6 | 9% | 0.089 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -68.9 | -18.7 | -179.3 | 67.5 | 162.4 | -101.7 | 0 | 0 | 114.5 | R248 K286 L297 T1119 G1121 E1122 | R248-E254 WeakPolarHBondContact CA-O 3.35Å; R248-E254 WeakPolarHBondContact CG-O 3.44Å; E254-K286 IonicContact OE1-NZ 3.6Å; E254-K286 PolarHBondContact OE1-NZ 3.19Å; E254-L297 HydrophobicContact CG-CD1 4.09Å; E254-T1119 WeakPolarHBondContact OE2-CB 3.39Å; E254-T1119 PolarHBondContact OE2-OG1 2.99Å; E254-G1121 VanDerWaalsContact OE2-CA 3.24Å; E254-G1121 WeakPolarHBondContact OE2-CA 3.39Å; E254-G1121 PolarHBondContact OE2-N 2.73Å; E254-E1122 HydrophobicContact CB-CG 4.49Å |
| 255 | V | 94.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.006 | 5% | 0.051 | C | C | . | . | trans | -161.5 | 151.3 | 168.2 | 61.4 | 0 | 0 | 0 | 0 | 108.6 | K253 E282 I283 K286 L287 F296 | K253-V255 PolarHBondContact O-N 3.37Å; V255-E282 HydrophobicContact CG2-CB 4.26Å; V255-I283 HydrophobicContact CG2-CB 4.49Å; V255-I283 HydrophobicContact CG2-CG1 3.62Å; V255-K286 HydrophobicContact CG1-CB 4.07Å; V255-K286 HydrophobicContact CG1-CD 3.81Å; V255-L287 HydrophobicContact CG1-CD1 4.03Å; V255-L287 HydrophobicContact CG1-CD2 4.18Å; V255-L287 HydrophobicContact CG1-CG 4.02Å; V255-L287 HydrophobicContact CG2-CD1 4.06Å; V255-F296 WeakPolarHBondContact O-CB 3.46Å | ||
| 256 | D | 96.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.011 | 5% | 0.05 | C | C | . | . | B | Isolated β-bridge | trans | -145.2 | 136.5 | 175.2 | -170.3 | -62.9 | 0 | 0 | 0 | 109.9 | W184 A249 S258 L259 R295 F296 | W184-D256 VanDerWaalsContact CD1-OD2 3.26Å; W184-D256 PolarHBondContact NE1-OD1 3.49Å; W184-D256 PolarHBondContact NE1-OD2 2.94Å; A249-D256 HydrophobicContact CB-CB 3.33Å; D256-S258 PolarHBondContact O-N 3.19Å; D256-S258 WeakPolarHBondContact OD1-CB 3.37Å; D256-S258 PolarHBondContact OD1-N 3.16Å; D256-S258 PolarHBondContact OD1-OG 2.97Å; D256-L259 HydrophobicContact CB-CG 4.48Å; D256-L259 WeakPolarHBondContact O-CB 3.42Å; D256-L259 VanDerWaalsContact O-CG 3.22Å; D256-L259 WeakPolarHBondContact O-CG 3.5Å; D256-L259 PolarHBondContact O-N 3.39Å; D256-R295 CarbonylContact C-O 3.59Å; D256-R295 VanDerWaalsContact CA-O 3.27Å; D256-R295 WeakPolarHBondContact CA-O 3.44Å; D256-R295 VanDerWaalsContact CG-O 3.3Å; D256-F296 HydrophobicContact CB-CB 4.36Å; D256-F296 WeakPolarHBondContact OD2-CD1 3.48Å |
| 257 | A | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -70.4 | -18.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L259 L260 I283 L287 C293 C294 R295 F331 | A257-L259 PolarHBondContact O-N 2.72Å; A257-L260 WeakPolarHBondContact O-CB 3.45Å; A257-L260 WeakPolarHBondContact O-CG 3.28Å; A257-L260 PolarHBondContact O-N 3.43Å; A257-I283 HydrophobicContact CB-CG2 4.16Å; A257-L287 HydrophobicContact CB-CD1 3.93Å; A257-C293 HydrophobicContact CB-CB 4.23Å; A257-C294 WeakPolarHBondContact CB-O 3.37Å; A257-R295 PolarHBondContact N-O 3.37Å; A257-F331 HydrophobicContact CB-CD1 3.7Å; A257-F331 HydrophobicContact CB-CD2 3.85Å; A257-F331 HydrophobicContact CB-CE1 3.57Å; A257-F331 HydrophobicContact CB-CE2 3.7Å; A257-F331 HydrophobicContact CB-CG 3.84Å; A257-F331 HydrophobicContact CB-CZ 3.56Å; A257-F331 WeakPolarHBondContact O-CE1 3.25Å |
| 258 | S | 96 | Very high | 94.6 | Very high | 4 Ų | 4 | 8.8 Ų | 8.8 | 3% | 0.028 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -62.6 | -19.5 | 172.1 | 63.8 | 0 | 0 | 0 | 0 | 113.6 | D256 L260 S261 | D256-S258 PolarHBondContact O-N 3.19Å; D256-S258 WeakPolarHBondContact OD1-CB 3.37Å; D256-S258 PolarHBondContact OD1-N 3.16Å; D256-S258 PolarHBondContact OD1-OG 2.97Å; S258-L260 PolarHBondContact O-N 3.34Å; S258-L260 VanDerWaalsContact O-N 3.17Å; S258-S261 WeakPolarHBondContact O-CB 3.4Å; S258-S261 PolarHBondContact O-N 2.99Å; S258-S261 PolarHBondContact O-OG 2.82Å |
| 259 | L | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.034 | C | C | . | . | G | 310 helix | trans | -62.4 | -19.7 | 175.4 | -59 | 177 | 0 | 0 | 0 | 112.6 | A199 L246 P247 A249 D256 A257 S261 V262 V263 T279 I283 | A199-L259 HydrophobicContact CB-CD2 3.77Å; L246-L259 HydrophobicContact CD2-CD1 3.78Å; L246-L259 HydrophobicContact CD2-CD2 4.01Å; L246-L259 HydrophobicContact CD2-CG 4.33Å; P247-L259 WeakPolarHBondContact O-CD1 3.04Å; A249-L259 HydrophobicContact CB-CD1 3.97Å; A249-L259 HydrophobicContact CB-CD2 4.19Å; A249-L259 HydrophobicContact CB-CG 4.23Å; D256-L259 HydrophobicContact CB-CG 4.48Å; D256-L259 WeakPolarHBondContact O-CB 3.42Å; D256-L259 VanDerWaalsContact O-CG 3.22Å; D256-L259 WeakPolarHBondContact O-CG 3.5Å; D256-L259 PolarHBondContact O-N 3.39Å; A257-L259 PolarHBondContact O-N 2.72Å; L259-S261 PolarHBondContact O-N 2.95Å; L259-V262 WeakPolarHBondContact O-CA 3.5Å; L259-V262 WeakPolarHBondContact O-CB 3.46Å; L259-V262 PolarHBondContact O-N 2.96Å; L259-V263 PolarHBondContact O-N 2.76Å; L259-T279 HydrophobicContact CB-CG2 4.03Å; L259-T279 HydrophobicContact CD1-CG2 4.07Å; L259-I283 HydrophobicContact CB-CD1 4.04Å |
| 260 | L | 97.6 | Very high | 95 | Very high | 2 Ų | 2 | 6 Ų | 6 | 1% | 0.01 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -55.7 | -36.2 | 168.8 | -66.8 | 176.4 | 0 | 0 | 0 | 112.1 | A257 S258 V262 S264 I283 F331 Y334 F335 | A257-L260 WeakPolarHBondContact O-CB 3.45Å; A257-L260 WeakPolarHBondContact O-CG 3.28Å; A257-L260 PolarHBondContact O-N 3.43Å; S258-L260 PolarHBondContact O-N 3.34Å; S258-L260 VanDerWaalsContact O-N 3.17Å; L260-V262 PolarHBondContact O-N 2.76Å; L260-S264 WeakPolarHBondContact O-CB 3.5Å; L260-S264 PolarHBondContact O-N 2.87Å; L260-S264 VanDerWaalsContact O-N 3.08Å; L260-I283 HydrophobicContact CD1-CG2 4.43Å; L260-I283 HydrophobicContact CD2-CD1 3.95Å; L260-I283 HydrophobicContact CG-CD1 3.99Å; L260-I283 HydrophobicContact CG-CG2 4.46Å; L260-F331 HydrophobicContact CD1-CB 4.1Å; L260-F331 HydrophobicContact CD1-CD1 4.21Å; L260-Y334 HydrophobicContact CB-CD1 4.44Å; L260-Y334 HydrophobicContact CB-CG 4.34Å; L260-F335 HydrophobicContact CD1-CD2 4.32Å; L260-F335 HydrophobicContact CD1-CE1 4.16Å; L260-F335 HydrophobicContact CD1-CE2 3.88Å; L260-F335 HydrophobicContact CD1-CZ 3.78Å; L260-F335 HydrophobicContact CD2-CD1 4.39Å; L260-F335 HydrophobicContact CD2-CE1 3.7Å; L260-F335 HydrophobicContact CD2-CZ 3.94Å; L260-F335 HydrophobicContact CG-CZ 4.5Å |
| 261 | S | 96.4 | Very high | 95 | Very high | 2 Ų | 2 | 7.7 Ų | 7.7 | 1% | 0.014 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -71 | -13.2 | 176.3 | 73.9 | 0 | 0 | 0 | 0 | 114 | S258 L259 P266 A267 | S258-S261 WeakPolarHBondContact O-CB 3.4Å; S258-S261 PolarHBondContact O-N 2.99Å; S258-S261 PolarHBondContact O-OG 2.82Å; L259-S261 PolarHBondContact O-N 2.95Å; S261-P266 WeakPolarHBondContact O-CD 3.41Å; S261-A267 WeakPolarHBondContact O-CB 3.46Å; S261-A267 PolarHBondContact O-N 3.48Å |
| 262 | V | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -97 | -50.9 | 177.6 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | L242 L259 L260 S264 F268 A269 V270 | L242-V262 HydrophobicContact CD1-CG1 3.94Å; L242-V262 HydrophobicContact CD2-CG1 3.89Å; L259-V262 WeakPolarHBondContact O-CA 3.5Å; L259-V262 WeakPolarHBondContact O-CB 3.46Å; L259-V262 PolarHBondContact O-N 2.96Å; L260-V262 PolarHBondContact O-N 2.76Å; V262-S264 VanDerWaalsContact C-N 3.3Å; V262-F268 CarbonylContact O-C 3.6Å; V262-F268 PolarHBondContact O-N 2.92Å; V262-A269 HydrophobicContact CG1-CB 4.04Å; V262-A269 PolarHBondContact O-N 2.99Å; V262-V270 HydrophobicContact CG1-CG2 4.37Å |
| 263 | V | 97.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 12.1 Ų | 12.1 | 5% | 0.048 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -79.6 | -13.8 | -176 | -53 | 0 | 0 | 0 | 0 | 113.1 | L246 L259 V270 V276 T279 K280 | L246-V263 HydrophobicContact CD1-CG1 4.13Å; L259-V263 PolarHBondContact O-N 2.76Å; V263-V270 HydrophobicContact CG1-CG2 4.12Å; V263-V276 HydrophobicContact CB-CB 4.48Å; V263-V276 HydrophobicContact CB-CG1 4.18Å; V263-V276 HydrophobicContact CB-CG2 4.2Å; V263-V276 HydrophobicContact CG2-CG1 4.46Å; V263-T279 HydrophobicContact CG1-CG2 3.86Å; V263-K280 HydrophobicContact CG2-CG 4.27Å |
| 264 | S | 95.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 17.9 Ų | 17.9 | 4% | 0.035 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -137.6 | -154.3 | 176.9 | -163.7 | 0 | 0 | 0 | 0 | 110.2 | L260 V262 A267 F268 D338 | L260-S264 WeakPolarHBondContact O-CB 3.5Å; L260-S264 PolarHBondContact O-N 2.87Å; L260-S264 VanDerWaalsContact O-N 3.08Å; V262-S264 VanDerWaalsContact C-N 3.3Å; S264-A267 PolarHBondContact O-N 3.2Å; S264-A267 VanDerWaalsContact O-N 3.14Å; S264-F268 PolarHBondContact O-N 3.11Å; S264-D338 VanDerWaalsContact CB-OD1 3.25Å; S264-D338 WeakPolarHBondContact CB-OD1 3.32Å; S264-D338 WeakPolarHBondContact OG-CB 3.49Å; S264-D338 PolarHBondContact OG-OD1 3.11Å |
| 265 | F | 95.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 18 Ų | 18 | 1% | 0.013 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 133.4 | 179.1 | -179.9 | -94.1 | 0 | 0 | 0 | 111.9 | L52 F144 F268 Y334 L337 F341 L406 L409 I423 | L52-F265 HydrophobicContact CD1-CE1 4.37Å; L52-F265 HydrophobicContact CD1-CZ 4.32Å; F144-F265 HydrophobicContact CE1-CZ 4.29Å; F144-F265 HydrophobicContact CZ-CE2 4.45Å; F144-F265 AromaticContact CZ-CZ 3.87Å; F144-F265 HydrophobicContact CZ-CZ 3.87Å; F265-F268 HydrophobicContact CB-CE1 4.4Å; F265-F268 HydrophobicContact CB-CE2 4.19Å; F265-F268 HydrophobicContact CB-CZ 3.74Å; F265-F268 HydrophobicContact CD2-CE2 4.09Å; F265-F268 HydrophobicContact CD2-CZ 4.25Å; F265-Y334 WeakPolarHBondContact O-CD1 3.16Å; F265-Y334 VanDerWaalsContact O-CE1 3.29Å; F265-Y334 WeakPolarHBondContact O-CE1 3.43Å; F265-L337 HydrophobicContact CB-CB 4.42Å; F265-L337 HydrophobicContact CD1-CB 4.48Å; F265-L337 HydrophobicContact CD1-CD1 3.78Å; F265-L337 HydrophobicContact CE1-CD1 4.09Å; F265-F341 HydrophobicContact CB-CD2 3.98Å; F265-F341 HydrophobicContact CB-CE2 3.89Å; F265-F341 HydrophobicContact CD2-CD2 4.29Å; F265-F341 AromaticContact CD2-CE2 3.37Å; F265-F341 HydrophobicContact CD2-CE2 3.37Å; F265-F341 AromaticContact CD2-CZ 3.65Å; F265-F341 HydrophobicContact CD2-CZ 3.65Å; F265-F341 HydrophobicContact CE2-CE2 4.16Å; F265-F341 HydrophobicContact CE2-CZ 4.2Å; F265-F341 HydrophobicContact CG-CD2 4.37Å; F265-F341 AromaticContact CG-CE2 3.78Å; F265-F341 HydrophobicContact CG-CE2 3.78Å; F265-F341 HydrophobicContact CG-CZ 4.48Å; F265-L406 HydrophobicContact CE1-CD2 4.08Å; F265-L409 HydrophobicContact CE1-CD2 4.26Å; F265-L409 HydrophobicContact CZ-CD2 4.1Å; F265-I423 HydrophobicContact CE2-CG2 3.62Å; F265-I423 HydrophobicContact CZ-CG2 3.97Å |
| 266 | P | 96.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.019 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -93.7 | -15.8 | 6.6 | 37 | -37.5 | 0 | 0 | 0 | 115.7 | Y49 L143 F144 M204 S261 F268 | Y49-P266 HydrophobicContact CE1-CG 4.23Å; L143-P266 HydrophobicContact CD2-CB 4.11Å; L143-P266 HydrophobicContact CD2-CG 4.17Å; F144-P266 HydrophobicContact CE2-CB 3.75Å; F144-P266 HydrophobicContact CE2-CG 3.94Å; F144-P266 HydrophobicContact CZ-CB 3.51Å; F144-P266 HydrophobicContact CZ-CG 4.18Å; M204-P266 HydrophobicContact CE-CG 4.08Å; M204-P266 HydrophobicContact SD-CG 4.36Å; S261-P266 WeakPolarHBondContact O-CD 3.41Å; P266-F268 WeakPolarHBondContact O-CD2 3.41Å |
| 267 | A | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -40.9 | -165.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | M204 A207 S261 S264 A269 R428 | M204-A267 HydrophobicContact CE-CB 4.15Å; M204-A267 HydrophobicContact SD-CB 4.24Å; A207-A267 HydrophobicContact CB-CB 3.59Å; A207-A267 WeakPolarHBondContact CB-O 3.47Å; S261-A267 WeakPolarHBondContact O-CB 3.46Å; S261-A267 PolarHBondContact O-N 3.48Å; S264-A267 PolarHBondContact O-N 3.2Å; S264-A267 VanDerWaalsContact O-N 3.14Å; A267-A269 HydrophobicContact CB-CB 4.24Å; A267-A269 PolarHBondContact O-N 3.42Å; A267-A269 VanDerWaalsContact O-N 3.17Å; A267-R428 VanDerWaalsContact O-CZ 3.24Å; A267-R428 PolarHBondContact O-NE 2.94Å; A267-R428 PolarHBondContact O-NH2 3.19Å |
| 268 | F | 97.2 | Very high | 95.8 | Very high | 13 Ų | 13 | 26.5 Ų | 26.5 | 6% | 0.057 | 14% | 0.139 | C | C | . | . | trans | 46.9 | 38.4 | -172 | -54 | -79.2 | 0 | 0 | 0 | 113.3 | V262 S264 F265 P266 V270 F341 R428 R429 S431 | V262-F268 CarbonylContact O-C 3.6Å; V262-F268 PolarHBondContact O-N 2.92Å; S264-F268 PolarHBondContact O-N 3.11Å; F265-F268 HydrophobicContact CB-CE1 4.4Å; F265-F268 HydrophobicContact CB-CE2 4.19Å; F265-F268 HydrophobicContact CB-CZ 3.74Å; F265-F268 HydrophobicContact CD2-CE2 4.09Å; F265-F268 HydrophobicContact CD2-CZ 4.25Å; P266-F268 WeakPolarHBondContact O-CD2 3.41Å; F268-V270 VanDerWaalsContact C-N 3.32Å; F268-V270 PolarHBondContact O-N 3.02Å; F268-F341 HydrophobicContact CE1-CB 4.21Å; F268-F341 HydrophobicContact CE1-CD1 4.38Å; F268-F341 HydrophobicContact CE1-CG 4.17Å; F268-F341 HydrophobicContact CE2-CD1 4.44Å; F268-F341 HydrophobicContact CE2-CE1 4.31Å; F268-F341 HydrophobicContact CE2-CZ 4.49Å; F268-F341 HydrophobicContact CZ-CB 4.19Å; F268-F341 AromaticContact CZ-CD1 3.66Å; F268-F341 HydrophobicContact CZ-CD1 3.66Å; F268-F341 AromaticContact CZ-CD2 3.87Å; F268-F341 HydrophobicContact CZ-CD2 3.87Å; F268-F341 AromaticContact CZ-CE1 3.93Å; F268-F341 HydrophobicContact CZ-CE1 3.93Å; F268-F341 HydrophobicContact CZ-CE2 4.13Å; F268-F341 AromaticContact CZ-CG 3.65Å; F268-F341 HydrophobicContact CZ-CG 3.65Å; F268-F341 HydrophobicContact CZ-CZ 4.16Å; F268-R428 HydrophobicContact CB-CB 4.3Å; F268-R428 WeakPolarHBondContact CB-O 3.34Å; F268-R428 HydrophobicContact CD2-CB 3.99Å; F268-R429 HydrophobicContact CD1-CB 4.19Å; F268-R429 HydrophobicContact CD2-CB 4.3Å; F268-R429 HydrophobicContact CE1-CB 3.98Å; F268-R429 HydrophobicContact CE2-CB 4.08Å; F268-R429 HydrophobicContact CG-CB 4.34Å; F268-R429 HydrophobicContact CZ-CB 3.92Å; F268-S431 VanDerWaalsContact O-CB 3.28Å; F268-S431 WeakPolarHBondContact O-CB 3.5Å; F268-S431 PolarHBondContact O-OG 3.36Å | ||
| 269 | A | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -78.8 | -8.6 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G203 K206 A207 Q239 L242 V262 A267 | G203-A269 VanDerWaalsContact O-CB 3.28Å; G203-A269 WeakPolarHBondContact O-CB 3.21Å; K206-A269 HydrophobicContact CB-CB 4.49Å; K206-A269 HydrophobicContact CD-CB 4.45Å; K206-A269 PolarHBondContact NZ-O 3.21Å; A207-A269 HydrophobicContact CB-CB 4.38Å; Q239-A269 PolarHBondContact OE1-O 3.37Å; L242-A269 HydrophobicContact CD2-CB 3.94Å; V262-A269 HydrophobicContact CG1-CB 4.04Å; V262-A269 PolarHBondContact O-N 2.99Å; A267-A269 HydrophobicContact CB-CB 4.24Å; A267-A269 PolarHBondContact O-N 3.42Å; A267-A269 VanDerWaalsContact O-N 3.17Å | ||
| 270 | V | 95.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | trans | -104.3 | 120.5 | -174.4 | -178 | 0 | 0 | 0 | 0 | 110.3 | L242 L246 V262 V263 F268 D272 L275 V276 T432 | L242-V270 HydrophobicContact CD2-CG2 3.65Å; L242-V270 HydrophobicContact CG-CG2 4.1Å; L246-V270 HydrophobicContact CD1-CG2 3.51Å; V262-V270 HydrophobicContact CG1-CG2 4.37Å; V263-V270 HydrophobicContact CG1-CG2 4.12Å; F268-V270 VanDerWaalsContact C-N 3.32Å; F268-V270 PolarHBondContact O-N 3.02Å; V270-D272 HydrophobicContact CG1-CB 4.41Å; V270-L275 HydrophobicContact CG1-CB 4.31Å; V270-L275 HydrophobicContact CG1-CD2 4.2Å; V270-L275 HydrophobicContact CG1-CG 4.42Å; V270-V276 HydrophobicContact CB-CG2 3.8Å; V270-V276 HydrophobicContact CG1-CG2 3.83Å; V270-T432 VanDerWaalsContact O-CG2 3.32Å; V270-T432 WeakPolarHBondContact O-CG2 3.28Å | ||
| 271 | E | 90.6 | Very high | 95.8 | Very high | 38 Ų | 38 | 32 Ų | 32 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | trans | -75.9 | -26 | 176.7 | -63.5 | -178.9 | 176.2 | 0 | 0 | 113.5 | S273 T432 R555 | E271-S273 PolarHBondContact O-N 2.74Å; E271-T432 WeakPolarHBondContact O-CA 3.41Å; E271-R555 VanDerWaalsContact CD-NE 3.28Å; E271-R555 WeakPolarHBondContact OE1-CD 3.46Å; E271-R555 WeakPolarHBondContact OE1-CG 3.36Å; E271-R555 IonicContact OE1-NE 2.76Å; E271-R555 PolarHBondContact OE1-NE 2.92Å; E271-R555 VanDerWaalsContact OE1-NE 3.12Å; E271-R555 IonicContact OE2-CZ 2.66Å; E271-R555 VanDerWaalsContact OE2-CZ 3.23Å; E271-R555 IonicContact OE2-NE 3.14Å; E271-R555 PolarHBondContact OE2-NE 2.87Å; E271-R555 IonicContact OE2-NH2 2.68Å; E271-R555 PolarHBondContact OE2-NH2 2.95Å | ||
| 272 | D | 91.8 | Very high | 95.8 | Very high | 71 Ų | 71 | 34.6 Ų | 34.6 | 38% | 0.38 | 18% | 0.176 | S | C | . | . | trans | -84.8 | 106.3 | -177.3 | -175.5 | -12 | 0 | 0 | 0 | 111.5 | V270 H274 L275 V276 | V270-D272 HydrophobicContact CG1-CB 4.41Å; D272-H274 VanDerWaalsContact C-N 3.26Å; D272-H274 PolarHBondContact O-N 3.13Å; D272-H274 WeakPolarHBondContact OD1-CA 3.47Å; D272-H274 WeakPolarHBondContact OD1-CB 3.41Å; D272-H274 PolarHBondContact OD1-N 3.11Å; D272-L275 HydrophobicContact CB-CB 3.87Å; D272-L275 PolarHBondContact O-N 3.23Å; D272-L275 PolarHBondContact OD1-N 2.98Å; D272-V276 WeakPolarHBondContact O-CG2 3.5Å; D272-V276 PolarHBondContact O-N 3.13Å | ||
| 273 | S | 92.7 | Very high | 95.8 | Very high | 76 Ų | 76 | 34.6 Ų | 34.6 | 53% | 0.531 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.7 | -29.4 | 178 | 58.2 | 0 | 0 | 0 | 0 | 114 | E271 E277 | E271-S273 PolarHBondContact O-N 2.74Å; S273-E277 PolarHBondContact O-N 2.94Å; S273-E277 VanDerWaalsContact O-N 3.15Å |
| 274 | H | 95.3 | Very high | 95.8 | Very high | 128 Ų | 128 | 36.7 Ų | 36.7 | 59% | 0.593 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -73.2 | -38.5 | 176.7 | -174.5 | 39.2 | 0 | 0 | 0 | 111.1 | D272 E277 I278 | D272-H274 VanDerWaalsContact C-N 3.26Å; D272-H274 PolarHBondContact O-N 3.13Å; D272-H274 WeakPolarHBondContact OD1-CA 3.47Å; D272-H274 WeakPolarHBondContact OD1-CB 3.41Å; D272-H274 PolarHBondContact OD1-N 3.11Å; H274-E277 PolarHBondContact O-N 3.39Å; H274-I278 WeakPolarHBondContact O-CG1 3.39Å; H274-I278 PolarHBondContact O-N 3.16Å |
| 275 | L | 95.1 | Very high | 95.9 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.4 | -36.8 | 176.4 | -172.6 | 59.3 | 0 | 0 | 0 | 112.3 | N243 L246 V270 D272 T279 | N243-L275 HydrophobicContact CB-CD2 4.16Å; L246-L275 HydrophobicContact CB-CD1 3.84Å; L246-L275 HydrophobicContact CB-CD2 4.07Å; L246-L275 HydrophobicContact CB-CG 3.97Å; L246-L275 HydrophobicContact CD1-CD2 4.32Å; L246-L275 HydrophobicContact CD1-CG 4.36Å; V270-L275 HydrophobicContact CG1-CB 4.31Å; V270-L275 HydrophobicContact CG1-CD2 4.2Å; V270-L275 HydrophobicContact CG1-CG 4.42Å; D272-L275 HydrophobicContact CB-CB 3.87Å; D272-L275 PolarHBondContact O-N 3.23Å; D272-L275 PolarHBondContact OD1-N 2.98Å; L275-T279 WeakPolarHBondContact O-CB 3.42Å; L275-T279 PolarHBondContact O-N 3Å; L275-T279 PolarHBondContact O-OG1 3.48Å |
| 276 | V | 96.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.5 | -51.3 | 168.9 | 168.2 | 0 | 0 | 0 | 0 | 110.1 | V263 V270 D272 T279 K280 T432 | V263-V276 HydrophobicContact CB-CB 4.48Å; V263-V276 HydrophobicContact CB-CG1 4.18Å; V263-V276 HydrophobicContact CB-CG2 4.2Å; V263-V276 HydrophobicContact CG2-CG1 4.46Å; V270-V276 HydrophobicContact CB-CG2 3.8Å; V270-V276 HydrophobicContact CG1-CG2 3.83Å; D272-V276 WeakPolarHBondContact O-CG2 3.5Å; D272-V276 PolarHBondContact O-N 3.13Å; V276-T279 PolarHBondContact O-N 2.91Å; V276-K280 HydrophobicContact CG1-CD 4.36Å; V276-K280 WeakPolarHBondContact O-CG 3.31Å; V276-K280 PolarHBondContact O-N 3.31Å; V276-T432 HydrophobicContact CG2-CG2 4.26Å |
| 277 | E | 95.9 | Very high | 95.9 | Very high | 103 Ų | 103 | 44.1 Ų | 44.1 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.5 | -42.4 | -175.6 | -166.4 | 59.4 | -160.6 | 0 | 0 | 112.8 | S273 H274 T279 K280 Q281 | S273-E277 PolarHBondContact O-N 2.94Å; S273-E277 VanDerWaalsContact O-N 3.15Å; H274-E277 PolarHBondContact O-N 3.39Å; E277-T279 VanDerWaalsContact C-N 3.27Å; E277-T279 PolarHBondContact O-N 3.43Å; E277-K280 PolarHBondContact O-N 2.97Å; E277-Q281 WeakPolarHBondContact O-CB 3.47Å; E277-Q281 PolarHBondContact O-N 3.18Å |
| 278 | I | 97 | Very high | 95.8 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 34% | 0.338 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.2 | -42.1 | 172.3 | -72.8 | 169 | 0 | 0 | 0 | 110.8 | P247 H274 Q281 E282 | P247-I278 HydrophobicContact CB-CG2 4.19Å; P247-I278 HydrophobicContact CG-CG2 3.93Å; H274-I278 WeakPolarHBondContact O-CG1 3.39Å; H274-I278 PolarHBondContact O-N 3.16Å; I278-Q281 PolarHBondContact O-N 3.43Å; I278-E282 HydrophobicContact CG2-CG 4.43Å; I278-E282 WeakPolarHBondContact O-CB 3.32Å; I278-E282 WeakPolarHBondContact O-CG 3.24Å; I278-E282 PolarHBondContact O-N 3.27Å |
| 279 | T | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.5 | -43.4 | 179.6 | -56 | 0 | 0 | 0 | 0 | 111.5 | L246 P247 L259 V263 L275 V276 E277 I283 | L246-T279 HydrophobicContact CD2-CG2 4Å; P247-T279 HydrophobicContact CB-CG2 4.44Å; L259-T279 HydrophobicContact CB-CG2 4.03Å; L259-T279 HydrophobicContact CD1-CG2 4.07Å; V263-T279 HydrophobicContact CG1-CG2 3.86Å; L275-T279 WeakPolarHBondContact O-CB 3.42Å; L275-T279 PolarHBondContact O-N 3Å; L275-T279 PolarHBondContact O-OG1 3.48Å; V276-T279 PolarHBondContact O-N 2.91Å; E277-T279 VanDerWaalsContact C-N 3.27Å; E277-T279 PolarHBondContact O-N 3.43Å; T279-I283 HydrophobicContact CG2-CD1 4.09Å; T279-I283 WeakPolarHBondContact O-CD1 3.31Å; T279-I283 VanDerWaalsContact O-CG1 3.26Å; T279-I283 WeakPolarHBondContact O-CG1 3.3Å; T279-I283 PolarHBondContact O-N 2.86Å; T279-I283 VanDerWaalsContact O-N 3.16Å |
| 280 | K | 96.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 10% | 0.104 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 173.1 | -70.6 | 178.5 | -179.2 | -170.7 | 0 | 111.6 | V263 V276 E277 E282 I283 I284 D338 | V263-K280 HydrophobicContact CG2-CG 4.27Å; V276-K280 HydrophobicContact CG1-CD 4.36Å; V276-K280 WeakPolarHBondContact O-CG 3.31Å; V276-K280 PolarHBondContact O-N 3.31Å; E277-K280 PolarHBondContact O-N 2.97Å; K280-E282 PolarHBondContact O-N 2.89Å; K280-I283 PolarHBondContact O-N 3.43Å; K280-I284 WeakPolarHBondContact O-CG1 3.47Å; K280-I284 PolarHBondContact O-N 2.8Å; K280-D338 VanDerWaalsContact CE-OD1 3.29Å; K280-D338 WeakPolarHBondContact CE-OD1 3.36Å; K280-D338 WeakPolarHBondContact CE-OD2 3.42Å; K280-D338 IonicContact NZ-OD1 3.55Å; K280-D338 PolarHBondContact NZ-OD1 3.49Å; K280-D338 IonicContact NZ-OD2 2.72Å; K280-D338 PolarHBondContact NZ-OD2 3.42Å |
| 281 | Q | 97.3 | Very high | 95.7 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 46% | 0.458 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | -177.2 | -172.6 | 59.6 | 45.2 | 0 | 0 | 112.1 | E277 I278 I284 T285 | E277-Q281 WeakPolarHBondContact O-CB 3.47Å; E277-Q281 PolarHBondContact O-N 3.18Å; I278-Q281 PolarHBondContact O-N 3.43Å; Q281-I284 PolarHBondContact O-N 3.27Å; Q281-T285 PolarHBondContact NE2-OG1 2.99Å; Q281-T285 WeakPolarHBondContact O-CB 3.08Å; Q281-T285 PolarHBondContact O-N 2.7Å; Q281-T285 PolarHBondContact O-OG1 3.38Å |
| 282 | E | 96.9 | Very high | 96 | Very high | 56 Ų | 56 | 51.6 Ų | 51.6 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 174 | -77.8 | -80.5 | 118.1 | 0 | 0 | 112 | P247 V255 I278 K280 T285 K286 | P247-E282 HydrophobicContact CB-CB 4.25Å; P247-E282 HydrophobicContact CB-CG 4.07Å; P247-E282 HydrophobicContact CG-CG 4.02Å; V255-E282 HydrophobicContact CG2-CB 4.26Å; I278-E282 HydrophobicContact CG2-CG 4.43Å; I278-E282 WeakPolarHBondContact O-CB 3.32Å; I278-E282 WeakPolarHBondContact O-CG 3.24Å; I278-E282 PolarHBondContact O-N 3.27Å; K280-E282 PolarHBondContact O-N 2.89Å; E282-T285 PolarHBondContact O-N 3.47Å; E282-K286 VanDerWaalsContact O-CB 3.31Å; E282-K286 WeakPolarHBondContact O-CB 3.37Å; E282-K286 PolarHBondContact O-N 2.93Å; E282-K286 IonicContact OE1-NZ 3.75Å; E282-K286 WeakPolarHBondContact OE2-CE 3.33Å; E282-K286 IonicContact OE2-NZ 2.69Å; E282-K286 PolarHBondContact OE2-NZ 3.33Å |
| 283 | I | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -48.2 | 175.4 | -66.7 | 164.2 | 0 | 0 | 0 | 110.6 | V255 A257 L259 L260 T279 K280 T285 L287 Q288 F335 | V255-I283 HydrophobicContact CG2-CB 4.49Å; V255-I283 HydrophobicContact CG2-CG1 3.62Å; A257-I283 HydrophobicContact CB-CG2 4.16Å; L259-I283 HydrophobicContact CB-CD1 4.04Å; L260-I283 HydrophobicContact CD1-CG2 4.43Å; L260-I283 HydrophobicContact CD2-CD1 3.95Å; L260-I283 HydrophobicContact CG-CD1 3.99Å; L260-I283 HydrophobicContact CG-CG2 4.46Å; T279-I283 HydrophobicContact CG2-CD1 4.09Å; T279-I283 WeakPolarHBondContact O-CD1 3.31Å; T279-I283 VanDerWaalsContact O-CG1 3.26Å; T279-I283 WeakPolarHBondContact O-CG1 3.3Å; T279-I283 PolarHBondContact O-N 2.86Å; T279-I283 VanDerWaalsContact O-N 3.16Å; K280-I283 PolarHBondContact O-N 3.43Å; I283-T285 PolarHBondContact O-N 3.34Å; I283-L287 HydrophobicContact CG2-CD1 4.42Å; I283-L287 WeakPolarHBondContact O-CA 3.37Å; I283-L287 VanDerWaalsContact O-CB 3.31Å; I283-L287 WeakPolarHBondContact O-CB 3.23Å; I283-L287 PolarHBondContact O-N 2.74Å; I283-Q288 PolarHBondContact O-N 3.3Å; I283-F335 HydrophobicContact CG2-CZ 4.4Å |
| 284 | I | 96.9 | Very high | 96.5 | Very high | 53 Ų | 53 | 45 Ų | 45 | 27% | 0.272 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 178.2 | -65.9 | 165.9 | 0 | 0 | 0 | 110.6 | K280 Q281 K286 Q288 F335 | K280-I284 WeakPolarHBondContact O-CG1 3.47Å; K280-I284 PolarHBondContact O-N 2.8Å; Q281-I284 PolarHBondContact O-N 3.27Å; I284-K286 PolarHBondContact O-N 3Å; I284-Q288 VanDerWaalsContact O-CB 3.28Å; I284-Q288 WeakPolarHBondContact O-CB 3.46Å; I284-F335 HydrophobicContact CD1-CE1 3.99Å; I284-F335 HydrophobicContact CD1-CZ 4.14Å; I284-F335 HydrophobicContact CG1-CE1 3.97Å; I284-F335 HydrophobicContact CG1-CE2 4.45Å; I284-F335 HydrophobicContact CG1-CZ 3.59Å |
| 285 | T | 96.4 | Very high | 96.6 | Very high | 92 Ų | 92 | 39.4 Ų | 39.4 | 56% | 0.564 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -71.1 | -29.3 | -174.4 | -51.5 | 0 | 0 | 0 | 0 | 113.2 | Q281 E282 I283 | Q281-T285 PolarHBondContact NE2-OG1 2.99Å; Q281-T285 WeakPolarHBondContact O-CB 3.08Å; Q281-T285 PolarHBondContact O-N 2.7Å; Q281-T285 PolarHBondContact O-OG1 3.38Å; E282-T285 PolarHBondContact O-N 3.47Å; I283-T285 PolarHBondContact O-N 3.34Å |
| 286 | K | 95.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 38.7 Ų | 38.7 | 31% | 0.309 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -112.1 | -25.1 | -172.4 | -65.7 | 176.8 | 173.4 | 178.2 | 0 | 115.1 | E254 V255 E282 I284 L297 | E254-K286 IonicContact OE1-NZ 3.6Å; E254-K286 PolarHBondContact OE1-NZ 3.19Å; V255-K286 HydrophobicContact CG1-CB 4.07Å; V255-K286 HydrophobicContact CG1-CD 3.81Å; E282-K286 VanDerWaalsContact O-CB 3.31Å; E282-K286 WeakPolarHBondContact O-CB 3.37Å; E282-K286 PolarHBondContact O-N 2.93Å; E282-K286 IonicContact OE1-NZ 3.75Å; E282-K286 WeakPolarHBondContact OE2-CE 3.33Å; E282-K286 IonicContact OE2-NZ 2.69Å; E282-K286 PolarHBondContact OE2-NZ 3.33Å; I284-K286 PolarHBondContact O-N 3Å; K286-L297 WeakPolarHBondContact O-CD2 3.05Å |
| 287 | L | 97 | Very high | 96.5 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -119.2 | -16.7 | -170.7 | -57.4 | 179.4 | 0 | 0 | 0 | 113.8 | V255 A257 I283 C293 C294 L297 | V255-L287 HydrophobicContact CG1-CD1 4.03Å; V255-L287 HydrophobicContact CG1-CD2 4.18Å; V255-L287 HydrophobicContact CG1-CG 4.02Å; V255-L287 HydrophobicContact CG2-CD1 4.06Å; A257-L287 HydrophobicContact CB-CD1 3.93Å; I283-L287 HydrophobicContact CG2-CD1 4.42Å; I283-L287 WeakPolarHBondContact O-CA 3.37Å; I283-L287 VanDerWaalsContact O-CB 3.31Å; I283-L287 WeakPolarHBondContact O-CB 3.23Å; I283-L287 PolarHBondContact O-N 2.74Å; L287-C293 HydrophobicContact CB-CB 4.3Å; L287-C293 CarbonylContact O-C 3.48Å; L287-C293 WeakPolarHBondContact O-CA 3.43Å; L287-C293 WeakPolarHBondContact O-CB 3.47Å; L287-C294 HydrophobicContact CD2-CB 4.34Å; L287-C294 PolarHBondContact O-N 3.28Å; L287-L297 HydrophobicContact CD2-CD2 3.95Å; L287-L297 HydrophobicContact CD2-CG 4.02Å |
| 288 | Q | 96.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 35.2 Ų | 35.2 | 27% | 0.271 | 17% | 0.173 | S | C | . | . | B | Isolated β-bridge | trans | -74.8 | 133.4 | 179.5 | -173.1 | 155.2 | -55 | 0 | 0 | 112.2 | I283 I284 Y351 | I283-Q288 PolarHBondContact O-N 3.3Å; I284-Q288 VanDerWaalsContact O-CB 3.28Å; I284-Q288 WeakPolarHBondContact O-CB 3.46Å; Q288-Y351 PolarHBondContact NE2-OH 3.18Å; Q288-Y351 PolarHBondContact OE1-OH 2.85Å; Q288-Y351 VanDerWaalsContact OE1-OH 3.07Å |
| 289 | G | 94.9 | Very high | 96.2 | Very high | 16 Ų | 16 | 32.1 Ų | 32.1 | 17% | 0.165 | 16% | 0.157 | C | C | . | . | trans | -125.2 | -158.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G292 E327 | G289-G292 PolarHBondContact N-O 3.09Å; G289-E327 VanDerWaalsContact C-OE2 3.3Å; G289-E327 WeakPolarHBondContact CA-OE2 3.46Å | ||
| 290 | R | 95.2 | Very high | 95.9 | Very high | 103 Ų | 103 | 32.1 Ų | 32.1 | 39% | 0.389 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -85.7 | -7.8 | -176.4 | -61.9 | -163.1 | -66.5 | 122.6 | -5.1 | 114.5 | E327 W332 H388 T389 V390 D391 | R290-E327 PolarHBondContact N-OE2 3.34Å; R290-W332 WeakPolarHBondContact O-CH2 3.39Å; R290-H388 PolarHBondContact NE-O 2.86Å; R290-T389 PolarHBondContact NH2-O 2.83Å; R290-V390 PolarHBondContact NH2-O 3.38Å; R290-D391 IonicContact CZ-OD1 2.9Å; R290-D391 VanDerWaalsContact CZ-OD1 3.28Å; R290-D391 IonicContact NH1-OD1 3.68Å; R290-D391 PolarHBondContact NH1-OD1 3.37Å; R290-D391 IonicContact NH2-OD1 2.71Å; R290-D391 PolarHBondContact NH2-OD1 2.97Å |
| 291 | Y | 97.1 | Very high | 95.7 | Very high | 32 Ų | 32 | 33.6 Ų | 33.6 | 13% | 0.125 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -134.7 | 3.7 | -173.9 | -59.3 | -97.6 | 0 | 0 | 0 | 113.7 | E327 P329 V358 Y373 D391 R392 | Y291-E327 WeakPolarHBondContact CA-OE2 3.46Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.4Å; Y291-E327 PolarHBondContact N-OE2 2.84Å; Y291-P329 WeakPolarHBondContact O-CA 3.35Å; Y291-P329 WeakPolarHBondContact O-CB 3.03Å; Y291-V358 HydrophobicContact CD1-CG1 3.82Å; Y291-Y373 AromaticContact CD1-CD1 3.44Å; Y291-Y373 HydrophobicContact CD1-CD1 3.44Å; Y291-Y373 VanDerWaalsContact CD1-CD1 3.44Å; Y291-Y373 HydrophobicContact CD1-CD2 4.22Å; Y291-Y373 AromaticContact CD1-CE1 3.71Å; Y291-Y373 HydrophobicContact CD1-CE1 3.71Å; Y291-Y373 HydrophobicContact CD1-CE2 4.45Å; Y291-Y373 AromaticContact CD1-CG 3.73Å; Y291-Y373 HydrophobicContact CD1-CG 3.73Å; Y291-Y373 AromaticContact CE1-CD1 3.93Å; Y291-Y373 HydrophobicContact CE1-CD1 3.93Å; Y291-Y373 HydrophobicContact CE1-CE1 4.11Å; Y291-Y373 AromaticContact CG-CD1 4Å; Y291-Y373 HydrophobicContact CG-CD1 4Å; Y291-Y373 HydrophobicContact CG-CD2 4.35Å; Y291-Y373 AromaticContact CG-CG 3.86Å; Y291-Y373 HydrophobicContact CG-CG 3.86Å; Y291-D391 WeakPolarHBondContact OH-CA 3.35Å; Y291-D391 WeakPolarHBondContact OH-CB 3.48Å; Y291-D391 PolarHBondContact OH-OD1 2.98Å; Y291-R392 HydrophobicContact CD2-CB 3.96Å; Y291-R392 HydrophobicContact CD2-CG 4.08Å; Y291-R392 HydrophobicContact CE2-CB 3.74Å; Y291-R392 HydrophobicContact CE2-CG 3.91Å; Y291-R392 HydrophobicContact CG-CB 4.44Å; Y291-R392 PolarHBondContact OH-N 3.32Å; Y291-R392 VanDerWaalsContact OH-N 3.12Å |
| 292 | G | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 154.9 | -147 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G289 W328 | G289-G292 PolarHBondContact N-O 3.09Å; G292-W328 VanDerWaalsContact CA-O 3.32Å; G292-W328 WeakPolarHBondContact CA-O 3.23Å |
| 293 | C | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.7 | 165.1 | -50.3 | 0 | 0 | 0 | 0 | 111.3 | A257 L287 W328 F331 | A257-C293 HydrophobicContact CB-CB 4.23Å; L287-C293 HydrophobicContact CB-CB 4.3Å; L287-C293 CarbonylContact O-C 3.48Å; L287-C293 WeakPolarHBondContact O-CA 3.43Å; L287-C293 WeakPolarHBondContact O-CB 3.47Å; C293-W328 PolarHBondContact N-O 3.02Å; C293-W328 VanDerWaalsContact N-O 3.1Å; C293-W328 PolarHBondContact O-N 3.43Å; C293-F331 HydrophobicContact CB-CB 3.89Å; C293-F331 HydrophobicContact CB-CD2 3.66Å; C293-F331 HydrophobicContact CB-CG 4.04Å; C293-F331 WeakPolarHBondContact O-CD2 3.49Å |
| 294 | C | 97.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 31 Ų | 31 | 7% | 0.068 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 150.7 | 165.6 | -60 | 0 | 0 | 0 | 0 | 110 | A257 L287 E325 C326 | A257-C294 WeakPolarHBondContact CB-O 3.37Å; L287-C294 HydrophobicContact CD2-CB 4.34Å; L287-C294 PolarHBondContact O-N 3.28Å; C294-E325 HydrophobicContact CB-CB 4.06Å; C294-C326 WeakPolarHBondContact CA-O 3.28Å |
| 295 | R | 96.4 | Very high | 94.9 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 4% | 0.038 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -67.3 | -49.4 | -178.7 | -60.6 | -168.2 | -60.9 | 166.2 | 8.1 | 111.7 | W184 D256 A257 D299 W328 F331 | W184-R295 VanDerWaalsContact CE3-NH1 3.35Å; W184-R295 HydrophobicContact CH2-CG 4.09Å; W184-R295 HydrophobicContact CZ2-CB 3.99Å; W184-R295 HydrophobicContact CZ2-CG 3.88Å; D256-R295 CarbonylContact C-O 3.59Å; D256-R295 VanDerWaalsContact CA-O 3.27Å; D256-R295 WeakPolarHBondContact CA-O 3.44Å; D256-R295 VanDerWaalsContact CG-O 3.3Å; A257-R295 PolarHBondContact N-O 3.37Å; R295-D299 IonicContact CZ-OD1 2.72Å; R295-D299 IonicContact CZ-OD2 2.75Å; R295-D299 IonicContact NE-OD2 3.72Å; R295-D299 PolarHBondContact NE-OD2 3.27Å; R295-D299 VanDerWaalsContact NH2-CG 3.26Å; R295-D299 IonicContact NH2-OD1 3.45Å; R295-D299 PolarHBondContact NH2-OD1 2.9Å; R295-D299 IonicContact NH2-OD2 3.7Å; R295-D299 PolarHBondContact NH2-OD2 3.29Å; R295-W328 HydrophobicContact CG-CD2 4.3Å; R295-W328 HydrophobicContact CG-CG 4.27Å; R295-W328 HydrophobicContact CG-CZ2 4.4Å; R295-F331 HydrophobicContact CG-CE2 4.36Å; R295-F331 HydrophobicContact CG-CZ 4.47Å |
| 296 | F | 95.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -157.7 | 164.3 | 172.3 | 51.9 | -91.9 | 0 | 0 | 0 | 109.2 | W184 K189 K253 V255 D256 D299 | W184-F296 AromaticContact CD1-CD1 3.86Å; W184-F296 AromaticContact CD1-CE1 3.7Å; W184-F296 HydrophobicContact CG-CE1 4.33Å; K189-F296 HydrophobicContact CG-CE2 4.19Å; K253-F296 HydrophobicContact CD-CB 4.49Å; K253-F296 HydrophobicContact CD-CD1 4.14Å; K253-F296 HydrophobicContact CD-CG 4.18Å; V255-F296 WeakPolarHBondContact O-CB 3.46Å; D256-F296 HydrophobicContact CB-CB 4.36Å; D256-F296 WeakPolarHBondContact OD2-CD1 3.48Å; F296-D299 HydrophobicContact CD1-CB 4.41Å; F296-D299 HydrophobicContact CD2-CB 3.86Å; F296-D299 HydrophobicContact CE1-CB 4.19Å; F296-D299 HydrophobicContact CE2-CB 3.61Å; F296-D299 HydrophobicContact CG-CB 4.26Å; F296-D299 HydrophobicContact CZ-CB 3.79Å; F296-D299 WeakPolarHBondContact CZ-OD1 3.48Å; F296-D299 WeakPolarHBondContact O-CB 3.47Å; F296-D299 PolarHBondContact O-N 2.97Å |
| 297 | L | 94.2 | Very high | 94.3 | Very high | 42 Ų | 42 | 29.8 Ų | 29.8 | 22% | 0.22 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 135.7 | -180 | -65 | 176.1 | 0 | 0 | 0 | 111.8 | K189 E254 K286 L287 | K189-L297 WeakPolarHBondContact CE-O 3.45Å; K189-L297 PolarHBondContact NZ-O 3.04Å; E254-L297 HydrophobicContact CG-CD1 4.09Å; K286-L297 WeakPolarHBondContact O-CD2 3.05Å; L287-L297 HydrophobicContact CD2-CD2 3.95Å; L287-L297 HydrophobicContact CD2-CG 4.02Å |
| 298 | R | 92.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 33.6 | -173.7 | -59.3 | 179.8 | -175.8 | 164.6 | 4.1 | 114.7 | G300 L318 E322 E325 T1115 R1116 M1118 | R298-G300 PolarHBondContact O-N 3.33Å; R298-L318 HydrophobicContact CB-CB 4.38Å; R298-L318 VanDerWaalsContact CB-O 3.28Å; R298-L318 WeakPolarHBondContact CB-O 3.47Å; R298-L318 VanDerWaalsContact CD-O 3.3Å; R298-L318 WeakPolarHBondContact CD-O 3.27Å; R298-L318 VanDerWaalsContact CG-O 3.29Å; R298-L318 WeakPolarHBondContact CG-O 3.34Å; R298-L318 WeakPolarHBondContact O-CD2 3.43Å; R298-E322 HydrophobicContact CG-CB 4.01Å; R298-E322 HydrophobicContact CG-CG 4.15Å; R298-E322 IonicContact CZ-OE1 2.85Å; R298-E322 IonicContact NE-OE1 2.75Å; R298-E322 PolarHBondContact NE-OE1 3.16Å; R298-E322 IonicContact NH2-OE1 3.28Å; R298-E322 PolarHBondContact NH2-OE1 2.95Å; R298-E325 WeakPolarHBondContact CA-OE1 3.47Å; R298-E325 PolarHBondContact N-OE1 3.15Å; R298-T1115 PolarHBondContact NH1-O 3.26Å; R298-T1115 VanDerWaalsContact NH1-O 3.09Å; R298-T1115 PolarHBondContact NH2-O 3.14Å; R298-T1115 VanDerWaalsContact NH2-O 3.12Å; R298-R1116 PolarHBondContact NH1-O 2.69Å; R298-M1118 VanDerWaalsContact NH1-C 3.26Å; R298-M1118 PolarHBondContact NH1-O 3.2Å |
| 299 | D | 93.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | trans | -78.9 | 112.4 | 170.7 | -178.3 | 30.1 | 0 | 0 | 0 | 111.7 | R186 R295 F296 Y301 T303 E325 | R186-D299 IonicContact NH1-OD1 2.68Å; R186-D299 PolarHBondContact NH1-OD1 3.37Å; R295-D299 IonicContact CZ-OD1 2.72Å; R295-D299 IonicContact CZ-OD2 2.75Å; R295-D299 IonicContact NE-OD2 3.72Å; R295-D299 PolarHBondContact NE-OD2 3.27Å; R295-D299 VanDerWaalsContact NH2-CG 3.26Å; R295-D299 IonicContact NH2-OD1 3.45Å; R295-D299 PolarHBondContact NH2-OD1 2.9Å; R295-D299 IonicContact NH2-OD2 3.7Å; R295-D299 PolarHBondContact NH2-OD2 3.29Å; F296-D299 HydrophobicContact CD1-CB 4.41Å; F296-D299 HydrophobicContact CD2-CB 3.86Å; F296-D299 HydrophobicContact CE1-CB 4.19Å; F296-D299 HydrophobicContact CE2-CB 3.61Å; F296-D299 HydrophobicContact CG-CB 4.26Å; F296-D299 HydrophobicContact CZ-CB 3.79Å; F296-D299 WeakPolarHBondContact CZ-OD1 3.48Å; F296-D299 WeakPolarHBondContact O-CB 3.47Å; F296-D299 PolarHBondContact O-N 2.97Å; D299-Y301 VanDerWaalsContact C-N 3.31Å; D299-Y301 PolarHBondContact O-N 3.06Å; D299-Y301 PolarHBondContact OD1-N 3.03Å; D299-T303 WeakPolarHBondContact O-CG2 3.47Å; D299-E325 HydrophobicContact CB-CG 4.5Å | ||
| 300 | G | 91.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -76.6 | -7.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | R298 K302 T303 E306 Y313 | R298-G300 PolarHBondContact O-N 3.33Å; G300-K302 PolarHBondContact O-N 3.46Å; G300-T303 WeakPolarHBondContact O-CB 3.47Å; G300-T303 VanDerWaalsContact O-CG2 3.32Å; G300-T303 WeakPolarHBondContact O-CG2 3.5Å; G300-T303 PolarHBondContact O-N 3.23Å; G300-T303 PolarHBondContact O-OG1 2.94Å; G300-E306 WeakPolarHBondContact O-CB 3.38Å; G300-Y313 VanDerWaalsContact CA-OH 3.3Å; G300-Y313 WeakPolarHBondContact CA-OH 3.37Å | ||
| 301 | Y | 93 | Very high | 91.7 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 21% | 0.212 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 119.6 | -168.2 | -175.4 | -108 | 0 | 0 | 0 | 113.8 | D299 T303 E306 Y313 C326 W328 E371 L372 | D299-Y301 VanDerWaalsContact C-N 3.31Å; D299-Y301 PolarHBondContact O-N 3.06Å; D299-Y301 PolarHBondContact OD1-N 3.03Å; Y301-T303 PolarHBondContact O-N 2.77Å; Y301-E306 WeakPolarHBondContact CA-OE1 3.15Å; Y301-Y313 PolarHBondContact N-OH 3.03Å; Y301-C326 PolarHBondContact O-SG 3.37Å; Y301-W328 AromaticContact CD1-CZ2 3.82Å; Y301-W328 HydrophobicContact CD1-CZ2 3.82Å; Y301-W328 HydrophobicContact CE1-CH2 4.2Å; Y301-W328 AromaticContact CE1-CZ2 3.77Å; Y301-W328 HydrophobicContact CE1-CZ2 3.77Å; Y301-E371 PolarHBondContact OH-OE1 3.43Å; Y301-L372 HydrophobicContact CD1-CD2 3.9Å; Y301-L372 HydrophobicContact CE1-CD2 4.07Å |
| 302 | K | 92.8 | Very high | 91 | Very high | 56 Ų | 56 | 45.8 Ų | 45.8 | 24% | 0.243 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 19.6 | -175.8 | -65.6 | 169.4 | 174.6 | 154.3 | 0 | 114 | G300 E306 C326 E371 L372 S374 | G300-K302 PolarHBondContact O-N 3.46Å; K302-E306 PolarHBondContact N-OE2 3.37Å; K302-C326 PolarHBondContact O-SG 2.83Å; K302-C326 VanDerWaalsContact O-SG 3.37Å; K302-E371 IonicContact NZ-OE1 2.94Å; K302-E371 PolarHBondContact NZ-OE1 3.38Å; K302-E371 IonicContact NZ-OE2 3.24Å; K302-E371 PolarHBondContact NZ-OE2 2.93Å; K302-L372 HydrophobicContact CB-CD1 4.3Å; K302-L372 HydrophobicContact CB-CD2 4.19Å; K302-L372 HydrophobicContact CD-CD2 3.97Å; K302-S374 PolarHBondContact O-OG 3.16Å |
| 303 | T | 94.2 | Very high | 90.3 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | trans | -75.3 | 153.5 | 171 | 68.1 | 0 | 0 | 0 | 0 | 110.4 | D299 G300 Y301 K305 E306 F321 I324 | D299-T303 WeakPolarHBondContact O-CG2 3.47Å; G300-T303 WeakPolarHBondContact O-CB 3.47Å; G300-T303 VanDerWaalsContact O-CG2 3.32Å; G300-T303 WeakPolarHBondContact O-CG2 3.5Å; G300-T303 PolarHBondContact O-N 3.23Å; G300-T303 PolarHBondContact O-OG1 2.94Å; Y301-T303 PolarHBondContact O-N 2.77Å; T303-K305 PolarHBondContact O-N 3.05Å; T303-E306 PolarHBondContact O-N 3.41Å; T303-E306 VanDerWaalsContact O-N 3.14Å; T303-F321 WeakPolarHBondContact OG1-CD1 3.37Å; T303-I324 WeakPolarHBondContact CG2-O 3.34Å | ||
| 304 | P | 93.1 | Very high | 89.6 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 25% | 0.247 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 0.8 | -177.3 | -23 | 35.8 | 0 | 0 | 0 | 116.4 | V375 P377 V380 | P304-V375 HydrophobicContact CG-CB 4.3Å; P304-V375 WeakPolarHBondContact CG-O 3.38Å; P304-P377 HydrophobicContact CB-CB 4.08Å; P304-P377 HydrophobicContact CB-CG 4.12Å; P304-P377 HydrophobicContact CG-CG 4.43Å; P304-V380 HydrophobicContact CB-CG2 3.66Å; P304-V380 HydrophobicContact CG-CG2 3.83Å |
| 305 | K | 92.2 | Very high | 88.3 | Confident | 84 Ų | 84 | 52.4 Ų | 52.4 | 37% | 0.365 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 0.1 | 177 | -55.1 | -72.2 | -178.7 | 172.8 | 0 | 112.4 | T303 F321 I324 V380 D381 | T303-K305 PolarHBondContact O-N 3.05Å; K305-F321 HydrophobicContact CB-CD1 4.5Å; K305-F321 HydrophobicContact CB-CE1 4.37Å; K305-I324 HydrophobicContact CB-CD1 4.26Å; K305-I324 HydrophobicContact CG-CD1 3.68Å; K305-V380 HydrophobicContact CD-CG1 4.49Å; K305-V380 HydrophobicContact CG-CG1 4.43Å; K305-D381 IonicContact NZ-OD1 2.58Å; K305-D381 PolarHBondContact NZ-OD1 3.4Å |
| 306 | E | 91.4 | Very high | 87.3 | Confident | 37 Ų | 37 | 54.5 Ų | 54.5 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -74.4 | 138.5 | 171.6 | 179.3 | 171.4 | -111.7 | 0 | 0 | 110.6 | R186 G300 Y301 K302 T303 P308 Y313 F321 | R186-E306 IonicContact NH2-OE1 3.79Å; R186-E306 PolarHBondContact NH2-OE1 3.12Å; G300-E306 WeakPolarHBondContact O-CB 3.38Å; Y301-E306 WeakPolarHBondContact CA-OE1 3.15Å; K302-E306 PolarHBondContact N-OE2 3.37Å; T303-E306 PolarHBondContact O-N 3.41Å; T303-E306 VanDerWaalsContact O-N 3.14Å; E306-P308 VanDerWaalsContact O-CD 3.28Å; E306-P308 WeakPolarHBondContact O-CD 2.98Å; E306-Y313 HydrophobicContact CG-CE1 4.11Å; E306-Y313 VanDerWaalsContact OE1-CE1 3.28Å; E306-Y313 WeakPolarHBondContact OE1-CE1 3.48Å; E306-Y313 VanDerWaalsContact OE1-CZ 3.32Å; E306-Y313 PolarHBondContact OE1-OH 2.76Å; E306-F321 HydrophobicContact CB-CE1 4.39Å |
| 307 | D | 87.3 | Confident | 86.7 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | trans | -84.3 | 108.1 | 165.7 | -179.8 | 2.9 | 0 | 0 | 0 | 109.2 | N309 R310 | D307-N309 PolarHBondContact O-N 3.02Å; D307-N309 WeakPolarHBondContact OD1-CB 3.46Å; D307-N309 PolarHBondContact OD1-N 3.47Å; D307-N309 PolarHBondContact OD1-ND2 3.21Å; D307-R310 PolarHBondContact O-N 3.35Å | ||
| 308 | P | 84.2 | Confident | 86.4 | Confident | 114 Ų | 114 | 54.2 Ų | 54.2 | 74% | 0.74 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -5.9 | -178 | 31.5 | -37.5 | 0 | 0 | 0 | 113.5 | E306 | E306-P308 VanDerWaalsContact O-CD 3.28Å; E306-P308 WeakPolarHBondContact O-CD 2.98Å |
| 309 | N | 85.9 | Confident | 86.3 | Confident | 145 Ų | 145 | 57.4 Ų | 57.4 | 78% | 0.775 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -12.4 | -179.6 | -52.1 | -84.4 | 0 | 0 | 0 | 113.2 | D307 | D307-N309 PolarHBondContact O-N 3.02Å; D307-N309 WeakPolarHBondContact OD1-CB 3.46Å; D307-N309 PolarHBondContact OD1-N 3.47Å; D307-N309 PolarHBondContact OD1-ND2 3.21Å |
| 310 | R | 83.2 | Confident | 86.1 | Confident | 82 Ų | 82 | 61.3 Ų | 61.3 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | trans | -116.6 | 127.6 | -178.3 | -164.5 | 179.5 | 61 | -141.5 | -29.3 | 110.8 | D307 Y312 E314 E317 | D307-R310 PolarHBondContact O-N 3.35Å; R310-Y312 VanDerWaalsContact C-N 3.33Å; R310-Y312 WeakPolarHBondContact CG-O 3.32Å; R310-Y312 PolarHBondContact NE-O 3.14Å; R310-Y312 PolarHBondContact O-N 3.07Å; R310-E314 IonicContact CZ-OE1 3.8Å; R310-E314 IonicContact NE-OE1 2.81Å; R310-E314 VanDerWaalsContact NH1-CG 3.33Å; R310-E314 IonicContact NH1-OE1 3.51Å; R310-E314 PolarHBondContact NH1-OE1 3.18Å; R310-E317 IonicContact CZ-OE1 3.7Å; R310-E317 IonicContact CZ-OE2 3.64Å; R310-E317 IonicContact NH1-OE1 2.76Å; R310-E317 IonicContact NH2-OE1 3.52Å; R310-E317 PolarHBondContact NH2-OE1 3.47Å; R310-E317 IonicContact NH2-OE2 2.73Å; R310-E317 PolarHBondContact NH2-OE2 2.96Å | ||
| 311 | L | 74.5 | Confident | 86.2 | Confident | 99 Ų | 99 | 61.4 Ų | 61.4 | 52% | 0.518 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -69.5 | -29.7 | -177.7 | -177.6 | 62.2 | 0 | 0 | 0 | 113.4 | N191 | N191-L311 PolarHBondContact ND2-O 3.4Š|
| 312 | Y | 82.8 | Confident | 86.1 | Confident | 109 Ų | 109 | 61.1 Ų | 61.1 | 43% | 0.427 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -114.2 | 157.6 | -173.3 | -54.5 | -33.9 | 0 | 0 | 0 | 111.5 | N191 R310 | N191-Y312 VanDerWaalsContact O-CA 3.22Å; N191-Y312 WeakPolarHBondContact O-CA 3.49Å; N191-Y312 WeakPolarHBondContact O-CB 3.19Å; N191-Y312 WeakPolarHBondContact O-CD1 3.2Å; R310-Y312 VanDerWaalsContact C-N 3.33Å; R310-Y312 WeakPolarHBondContact CG-O 3.32Å; R310-Y312 PolarHBondContact NE-O 3.14Å; R310-Y312 PolarHBondContact O-N 3.07Å |
| 313 | Y | 83.1 | Confident | 86.2 | Confident | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.039 | 32% | 0.315 | C | S | . | . | trans | -98.6 | 148.9 | 178.7 | -57.9 | -39.6 | 0 | 0 | 0 | 113 | R186 N191 Q192 G300 Y301 E306 L318 F321 | R186-Y313 VanDerWaalsContact CZ-OH 3.28Å; R186-Y313 PolarHBondContact NH1-OH 3.48Å; R186-Y313 PolarHBondContact NH2-OH 2.86Å; N191-Y313 HydrophobicContact CB-CD2 4.14Å; N191-Y313 HydrophobicContact CB-CE2 4.36Å; Q192-Y313 PolarHBondContact NE2-O 2.8Å; G300-Y313 VanDerWaalsContact CA-OH 3.3Å; G300-Y313 WeakPolarHBondContact CA-OH 3.37Å; Y301-Y313 PolarHBondContact N-OH 3.03Å; E306-Y313 HydrophobicContact CG-CE1 4.11Å; E306-Y313 VanDerWaalsContact OE1-CE1 3.28Å; E306-Y313 WeakPolarHBondContact OE1-CE1 3.48Å; E306-Y313 VanDerWaalsContact OE1-CZ 3.32Å; E306-Y313 PolarHBondContact OE1-OH 2.76Å; Y313-L318 HydrophobicContact CD2-CD2 4.16Å; Y313-F321 HydrophobicContact CD1-CE2 4.13Å; Y313-F321 HydrophobicContact CD1-CZ 4.14Å; Y313-F321 HydrophobicContact CD2-CE2 4.03Å; Y313-F321 HydrophobicContact CE1-CE2 4.07Å; Y313-F321 HydrophobicContact CE1-CZ 4.03Å; Y313-F321 AromaticContact CE2-CE2 3.94Å; Y313-F321 HydrophobicContact CE2-CE2 3.94Å; Y313-F321 HydrophobicContact CG-CE2 4.1Å; Y313-F321 AromaticContact CZ-CE2 3.94Å | ||
| 314 | E | 81.5 | Confident | 86.3 | Confident | 94 Ų | 94 | 60.8 Ų | 60.8 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | trans | -71.7 | 141.5 | 161.6 | -56.1 | -57.7 | 150.7 | 0 | 0 | 109.1 | R310 A316 E317 | R310-E314 IonicContact CZ-OE1 3.8Å; R310-E314 IonicContact NE-OE1 2.81Å; R310-E314 VanDerWaalsContact NH1-CG 3.33Å; R310-E314 IonicContact NH1-OE1 3.51Å; R310-E314 PolarHBondContact NH1-OE1 3.18Å; E314-A316 PolarHBondContact O-N 2.78Å; E314-E317 HydrophobicContact CB-CG 3.96Å; E314-E317 HydrophobicContact CG-CG 4.49Å; E314-E317 PolarHBondContact N-OE2 3.31Å; E314-E317 WeakPolarHBondContact O-CB 3.49Å; E314-E317 PolarHBondContact O-N 2.8Å | ||
| 315 | P | 70.8 | Confident | 86.4 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 29% | 0.292 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -31.4 | -176.3 | -26.1 | 33.8 | 0 | 0 | 0 | 114.3 | E1117 | P315-E1117 HydrophobicContact CB-CG 3.67Å; P315-E1117 WeakPolarHBondContact O-CG 3.43Å |
| 316 | A | 74.9 | Confident | 86.6 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 44% | 0.438 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -18.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E314 L318 | E314-A316 PolarHBondContact O-N 2.78Å; A316-L318 VanDerWaalsContact C-N 3.34Å; A316-L318 PolarHBondContact O-N 3.49Å |
| 317 | E | 84.3 | Confident | 86.9 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -71.6 | -27.9 | -176.5 | -73.5 | 167.3 | 169.6 | 0 | 0 | 112.6 | R310 E314 K319 L320 F321 | R310-E317 IonicContact CZ-OE1 3.7Å; R310-E317 IonicContact CZ-OE2 3.64Å; R310-E317 IonicContact NH1-OE1 2.76Å; R310-E317 IonicContact NH2-OE1 3.52Å; R310-E317 PolarHBondContact NH2-OE1 3.47Å; R310-E317 IonicContact NH2-OE2 2.73Å; R310-E317 PolarHBondContact NH2-OE2 2.96Å; E314-E317 HydrophobicContact CB-CG 3.96Å; E314-E317 HydrophobicContact CG-CG 4.49Å; E314-E317 PolarHBondContact N-OE2 3.31Å; E314-E317 WeakPolarHBondContact O-CB 3.49Å; E314-E317 PolarHBondContact O-N 2.8Å; E317-K319 PolarHBondContact O-N 3.03Å; E317-K319 VanDerWaalsContact O-N 3.1Å; E317-L320 HydrophobicContact CG-CD1 4.41Å; E317-L320 WeakPolarHBondContact O-CA 3.44Å; E317-L320 VanDerWaalsContact O-CB 3.25Å; E317-L320 WeakPolarHBondContact O-CB 3.38Å; E317-L320 PolarHBondContact O-N 2.74Å; E317-F321 HydrophobicContact CB-CE2 4.08Å; E317-F321 HydrophobicContact CB-CZ 3.9Å; E317-F321 PolarHBondContact O-N 2.92Å |
| 318 | L | 87.8 | Confident | 87.5 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -52.2 | -36.7 | 177 | -71.3 | 172.4 | 0 | 0 | 0 | 112.4 | K189 T190 R298 Y313 A316 L320 F321 E1117 | K189-L318 HydrophobicContact CG-CD1 4.37Å; K189-L318 HydrophobicContact CG-CD2 4.21Å; T190-L318 HydrophobicContact CG2-CD1 3.8Å; R298-L318 HydrophobicContact CB-CB 4.38Å; R298-L318 VanDerWaalsContact CB-O 3.28Å; R298-L318 WeakPolarHBondContact CB-O 3.47Å; R298-L318 VanDerWaalsContact CD-O 3.3Å; R298-L318 WeakPolarHBondContact CD-O 3.27Å; R298-L318 VanDerWaalsContact CG-O 3.29Å; R298-L318 WeakPolarHBondContact CG-O 3.34Å; R298-L318 WeakPolarHBondContact O-CD2 3.43Å; Y313-L318 HydrophobicContact CD2-CD2 4.16Å; A316-L318 VanDerWaalsContact C-N 3.34Å; A316-L318 PolarHBondContact O-N 3.49Å; L318-L320 VanDerWaalsContact C-N 3.27Å; L318-L320 PolarHBondContact O-N 2.8Å; L318-F321 HydrophobicContact CD2-CD2 4.25Å; L318-F321 HydrophobicContact CD2-CE2 4.46Å; L318-F321 PolarHBondContact O-N 3.3Å; L318-E1117 WeakPolarHBondContact CD1-O 3.46Å |
| 319 | K | 89.1 | Confident | 88.1 | Confident | 69 Ų | 69 | 45.6 Ų | 45.6 | 30% | 0.3 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -69.9 | -22 | 177.5 | -171.1 | 55.8 | -176.8 | 179.1 | 0 | 113.7 | E317 E322 R1116 | E317-K319 PolarHBondContact O-N 3.03Å; E317-K319 VanDerWaalsContact O-N 3.1Å; K319-E322 IonicContact NZ-OE1 2.91Å; K319-E322 PolarHBondContact NZ-OE1 2.92Å; K319-E322 IonicContact NZ-OE2 3.94Å; K319-E322 PolarHBondContact NZ-OE2 3.32Å; K319-R1116 HydrophobicContact CB-CB 3.81Å; K319-R1116 HydrophobicContact CB-CG 4.41Å; K319-R1116 HydrophobicContact CG-CB 4.26Å; K319-R1116 HydrophobicContact CG-CG 4.4Å; K319-R1116 PolarHBondContact N-O 3.16Å |
| 320 | L | 90.8 | Very high | 88.6 | Confident | 83 Ų | 83 | 38.7 Ų | 38.7 | 44% | 0.435 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -77.6 | -25.3 | 176 | -51.9 | 178.1 | 0 | 0 | 0 | 111.7 | E317 L318 E322 I324 Y384 | E317-L320 HydrophobicContact CG-CD1 4.41Å; E317-L320 WeakPolarHBondContact O-CA 3.44Å; E317-L320 VanDerWaalsContact O-CB 3.25Å; E317-L320 WeakPolarHBondContact O-CB 3.38Å; E317-L320 PolarHBondContact O-N 2.74Å; L318-L320 VanDerWaalsContact C-N 3.27Å; L318-L320 PolarHBondContact O-N 2.8Å; L320-E322 VanDerWaalsContact C-N 3.29Å; L320-I324 VanDerWaalsContact O-CD1 3.27Å; L320-I324 WeakPolarHBondContact O-CD1 3.27Å; L320-I324 WeakPolarHBondContact O-CG1 3.49Å; L320-Y384 PolarHBondContact O-OH 3.49Å |
| 321 | F | 92.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -80.2 | -11.6 | 178.5 | -49.5 | -42.6 | 0 | 0 | 0 | 113.2 | T303 K305 E306 Y313 E317 L318 N323 I324 E325 | T303-F321 WeakPolarHBondContact OG1-CD1 3.37Å; K305-F321 HydrophobicContact CB-CD1 4.5Å; K305-F321 HydrophobicContact CB-CE1 4.37Å; E306-F321 HydrophobicContact CB-CE1 4.39Å; Y313-F321 HydrophobicContact CD1-CE2 4.13Å; Y313-F321 HydrophobicContact CD1-CZ 4.14Å; Y313-F321 HydrophobicContact CD2-CE2 4.03Å; Y313-F321 HydrophobicContact CE1-CE2 4.07Å; Y313-F321 HydrophobicContact CE1-CZ 4.03Å; Y313-F321 AromaticContact CE2-CE2 3.94Å; Y313-F321 HydrophobicContact CE2-CE2 3.94Å; Y313-F321 HydrophobicContact CG-CE2 4.1Å; Y313-F321 AromaticContact CZ-CE2 3.94Å; E317-F321 HydrophobicContact CB-CE2 4.08Å; E317-F321 HydrophobicContact CB-CZ 3.9Å; E317-F321 PolarHBondContact O-N 2.92Å; L318-F321 HydrophobicContact CD2-CD2 4.25Å; L318-F321 HydrophobicContact CD2-CE2 4.46Å; L318-F321 PolarHBondContact O-N 3.3Å; F321-N323 PolarHBondContact O-N 3.16Å; F321-I324 WeakPolarHBondContact O-CG1 3.41Å; F321-I324 PolarHBondContact O-N 3.01Å; F321-I324 VanDerWaalsContact O-N 3.17Å; F321-E325 WeakPolarHBondContact O-CG 3.24Å; F321-E325 PolarHBondContact O-N 2.99Å |
| 322 | E | 92.1 | Very high | 90.5 | Very high | 49 Ų | 49 | 30.8 Ų | 30.8 | 23% | 0.229 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 127.3 | -176.5 | -159.6 | -175.3 | -89.6 | 0 | 0 | 112.2 | R298 K319 L320 I324 | R298-E322 HydrophobicContact CG-CB 4.01Å; R298-E322 HydrophobicContact CG-CG 4.15Å; R298-E322 IonicContact CZ-OE1 2.85Å; R298-E322 IonicContact NE-OE1 2.75Å; R298-E322 PolarHBondContact NE-OE1 3.16Å; R298-E322 IonicContact NH2-OE1 3.28Å; R298-E322 PolarHBondContact NH2-OE1 2.95Å; K319-E322 IonicContact NZ-OE1 2.91Å; K319-E322 PolarHBondContact NZ-OE1 2.92Å; K319-E322 IonicContact NZ-OE2 3.94Å; K319-E322 PolarHBondContact NZ-OE2 3.32Å; L320-E322 VanDerWaalsContact C-N 3.29Å; E322-I324 PolarHBondContact O-N 3.13Å |
| 323 | N | 93.7 | Very high | 91.2 | Very high | 54 Ų | 54 | 25.6 Ų | 25.6 | 29% | 0.289 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | -0.1 | -174.6 | -39.1 | -84 | 0 | 0 | 0 | 115.2 | F321 E325 P387 | F321-N323 PolarHBondContact O-N 3.16Å; N323-E325 WeakPolarHBondContact CA-OE2 3.48Å; N323-E325 PolarHBondContact N-OE2 3.32Å; N323-P387 HydrophobicContact CB-CB 4.06Å; N323-P387 HydrophobicContact CB-CG 4.04Å |
| 324 | I | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 6.3 | 178.1 | 69.2 | 163.4 | 0 | 0 | 0 | 112.8 | T303 K305 L320 F321 E322 V375 V380 E383 Y384 | T303-I324 WeakPolarHBondContact CG2-O 3.34Å; K305-I324 HydrophobicContact CB-CD1 4.26Å; K305-I324 HydrophobicContact CG-CD1 3.68Å; L320-I324 VanDerWaalsContact O-CD1 3.27Å; L320-I324 WeakPolarHBondContact O-CD1 3.27Å; L320-I324 WeakPolarHBondContact O-CG1 3.49Å; F321-I324 WeakPolarHBondContact O-CG1 3.41Å; F321-I324 PolarHBondContact O-N 3.01Å; F321-I324 VanDerWaalsContact O-N 3.17Å; E322-I324 PolarHBondContact O-N 3.13Å; I324-V375 HydrophobicContact CB-CG2 4.24Å; I324-V380 HydrophobicContact CD1-CG1 4.05Å; I324-V380 HydrophobicContact CG2-CG1 4.12Å; I324-E383 HydrophobicContact CG2-CB 4.43Å; I324-E383 HydrophobicContact CG2-CG 4.12Å; I324-Y384 HydrophobicContact CD1-CE1 4.16Å; I324-Y384 HydrophobicContact CG1-CE1 4.25Å; I324-Y384 HydrophobicContact CG2-CD1 3.78Å; I324-Y384 HydrophobicContact CG2-CE1 3.56Å |
| 325 | E | 96.1 | Very high | 92.7 | Very high | 13 Ų | 13 | 21.2 Ų | 21.2 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -52.7 | 144.4 | 177.1 | -58.6 | 91.4 | 155.2 | 0 | 0 | 110.8 | C294 R298 D299 F321 N323 R392 | C294-E325 HydrophobicContact CB-CB 4.06Å; R298-E325 WeakPolarHBondContact CA-OE1 3.47Å; R298-E325 PolarHBondContact N-OE1 3.15Å; D299-E325 HydrophobicContact CB-CG 4.5Å; F321-E325 WeakPolarHBondContact O-CG 3.24Å; F321-E325 PolarHBondContact O-N 2.99Å; N323-E325 WeakPolarHBondContact CA-OE2 3.48Å; N323-E325 PolarHBondContact N-OE2 3.32Å; E325-R392 PolarHBondContact O-NH1 3.36Å; E325-R392 PolarHBondContact O-NH2 2.87Å |
| 326 | C | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 135.2 | -178.3 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | C294 Y301 K302 W328 L372 Y373 | C294-C326 WeakPolarHBondContact CA-O 3.28Å; Y301-C326 PolarHBondContact O-SG 3.37Å; K302-C326 PolarHBondContact O-SG 2.83Å; K302-C326 VanDerWaalsContact O-SG 3.37Å; C326-W328 VanDerWaalsContact O-CD1 3.31Å; C326-L372 HydrophobicContact CB-CB 4.23Å; C326-L372 HydrophobicContact CB-CD1 3.92Å; C326-L372 HydrophobicContact CB-CD2 3.77Å; C326-L372 HydrophobicContact CB-CG 4.19Å; C326-Y373 WeakPolarHBondContact CA-O 3.44Å |
| 327 | E | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.7 | -179.6 | -66.1 | 177.7 | -153.4 | 0 | 0 | 110.6 | G289 R290 Y291 L372 Y373 R392 | G289-E327 VanDerWaalsContact C-OE2 3.3Å; G289-E327 WeakPolarHBondContact CA-OE2 3.46Å; R290-E327 PolarHBondContact N-OE2 3.34Å; Y291-E327 WeakPolarHBondContact CA-OE2 3.46Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.4Å; Y291-E327 PolarHBondContact N-OE2 2.84Å; E327-L372 CarbonylContact O-C 3.47Å; E327-L372 WeakPolarHBondContact O-CA 3.44Å; E327-Y373 PolarHBondContact N-O 2.74Å; E327-Y373 PolarHBondContact O-N 3.32Å; E327-R392 IonicContact OE1-CZ 2.64Å; E327-R392 VanDerWaalsContact OE1-CZ 3.31Å; E327-R392 IonicContact OE1-NE 3.69Å; E327-R392 PolarHBondContact OE1-NE 2.95Å; E327-R392 IonicContact OE1-NH2 3.47Å |
| 328 | W | 98.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 15.4 Ų | 15.4 | 3% | 0.034 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117.3 | -176.4 | -68.4 | 60.4 | 0 | 0 | 0 | 110.8 | G292 C293 R295 Y301 C326 L330 F331 E371 L372 | G292-W328 VanDerWaalsContact CA-O 3.32Å; G292-W328 WeakPolarHBondContact CA-O 3.23Å; C293-W328 PolarHBondContact N-O 3.02Å; C293-W328 VanDerWaalsContact N-O 3.1Å; C293-W328 PolarHBondContact O-N 3.43Å; R295-W328 HydrophobicContact CG-CD2 4.3Å; R295-W328 HydrophobicContact CG-CG 4.27Å; R295-W328 HydrophobicContact CG-CZ2 4.4Å; Y301-W328 AromaticContact CD1-CZ2 3.82Å; Y301-W328 HydrophobicContact CD1-CZ2 3.82Å; Y301-W328 HydrophobicContact CE1-CH2 4.2Å; Y301-W328 AromaticContact CE1-CZ2 3.77Å; Y301-W328 HydrophobicContact CE1-CZ2 3.77Å; C326-W328 VanDerWaalsContact O-CD1 3.31Å; W328-L330 HydrophobicContact CB-CB 4.36Å; W328-L330 HydrophobicContact CE3-CD2 4.45Å; W328-L330 PolarHBondContact O-N 2.94Å; W328-L330 VanDerWaalsContact O-N 3.15Å; W328-F331 HydrophobicContact CB-CD2 3.83Å; W328-F331 HydrophobicContact CB-CE2 3.68Å; W328-F331 HydrophobicContact CG-CE2 4.2Å; W328-F331 WeakPolarHBondContact O-CD2 3.49Å; W328-F331 PolarHBondContact O-N 2.98Å; W328-E371 HydrophobicContact CE3-CG 4.15Å; W328-E371 VanDerWaalsContact CE3-O 3.23Å; W328-E371 HydrophobicContact CH2-CG 3.57Å; W328-E371 HydrophobicContact CZ2-CG 4.27Å; W328-E371 HydrophobicContact CZ3-CG 3.51Å; W328-L372 HydrophobicContact CD2-CB 4.04Å; W328-L372 HydrophobicContact CD2-CD2 4.48Å; W328-L372 HydrophobicContact CG-CB 3.97Å; W328-L372 HydrophobicContact CZ2-CD2 3.67Å |
| 329 | P | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -8.6 | 178.2 | 31.3 | -37.1 | 0 | 0 | 0 | 112.8 | Y291 F331 W332 L355 V358 L369 P370 Y373 | Y291-P329 WeakPolarHBondContact O-CA 3.35Å; Y291-P329 WeakPolarHBondContact O-CB 3.03Å; P329-F331 PolarHBondContact O-N 2.93Å; P329-W332 PolarHBondContact O-N 2.82Å; P329-L355 HydrophobicContact CB-CD1 3.95Å; P329-V358 HydrophobicContact CB-CG2 4.15Å; P329-L369 HydrophobicContact CB-CD1 4Å; P329-L369 HydrophobicContact CG-CD1 3.93Å; P329-L369 HydrophobicContact CG-CG 4.15Å; P329-P370 HydrophobicContact CG-CG 4.28Å; P329-Y373 HydrophobicContact CG-CD2 4.45Å; P329-Y373 HydrophobicContact CG-CE2 4.25Å |
| 330 | L | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -46.6 | -44.8 | 168.8 | 176.4 | 66.8 | 0 | 0 | 0 | 112.1 | W328 W332 T333 Y334 W402 L406 | W328-L330 HydrophobicContact CB-CB 4.36Å; W328-L330 HydrophobicContact CE3-CD2 4.45Å; W328-L330 PolarHBondContact O-N 2.94Å; W328-L330 VanDerWaalsContact O-N 3.15Å; L330-W332 VanDerWaalsContact C-N 3.32Å; L330-W332 PolarHBondContact O-N 3.17Å; L330-T333 WeakPolarHBondContact O-CB 3.45Å; L330-T333 PolarHBondContact O-N 3.15Å; L330-T333 PolarHBondContact O-OG1 3.31Å; L330-Y334 HydrophobicContact CD1-CE2 4.06Å; L330-Y334 HydrophobicContact CD2-CE2 4.44Å; L330-Y334 HydrophobicContact CG-CD2 4.31Å; L330-Y334 HydrophobicContact CG-CE2 4.02Å; L330-Y334 PolarHBondContact O-N 2.94Å; L330-W402 HydrophobicContact CD1-CD2 4.34Å; L330-W402 HydrophobicContact CD1-CG 4.15Å; L330-W402 HydrophobicContact CD2-CD2 4.27Å; L330-W402 HydrophobicContact CD2-CE3 4.5Å; L330-W402 HydrophobicContact CD2-CH2 4.28Å; L330-W402 HydrophobicContact CD2-CZ2 4.04Å; L330-L406 HydrophobicContact CD1-CD1 4.21Å |
| 331 | F | 98 | Very high | 96.7 | Very high | 2 Ų | 2 | 10.7 Ų | 10.7 | 1% | 0.009 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -71.4 | -25.8 | -172.7 | -59.6 | -64.6 | 0 | 0 | 0 | 113.3 | W184 A257 L260 C293 R295 W328 P329 T333 Y334 F335 | W184-F331 HydrophobicContact CH2-CE1 4.41Å; W184-F331 AromaticContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CZ2-CE1 4.41Å; W184-F331 AromaticContact CZ2-CZ 3.77Å; W184-F331 HydrophobicContact CZ2-CZ 3.77Å; A257-F331 HydrophobicContact CB-CD1 3.7Å; A257-F331 HydrophobicContact CB-CD2 3.85Å; A257-F331 HydrophobicContact CB-CE1 3.57Å; A257-F331 HydrophobicContact CB-CE2 3.7Å; A257-F331 HydrophobicContact CB-CG 3.84Å; A257-F331 HydrophobicContact CB-CZ 3.56Å; A257-F331 WeakPolarHBondContact O-CE1 3.25Å; L260-F331 HydrophobicContact CD1-CB 4.1Å; L260-F331 HydrophobicContact CD1-CD1 4.21Å; C293-F331 HydrophobicContact CB-CB 3.89Å; C293-F331 HydrophobicContact CB-CD2 3.66Å; C293-F331 HydrophobicContact CB-CG 4.04Å; C293-F331 WeakPolarHBondContact O-CD2 3.49Å; R295-F331 HydrophobicContact CG-CE2 4.36Å; R295-F331 HydrophobicContact CG-CZ 4.47Å; W328-F331 HydrophobicContact CB-CD2 3.83Å; W328-F331 HydrophobicContact CB-CE2 3.68Å; W328-F331 HydrophobicContact CG-CE2 4.2Å; W328-F331 WeakPolarHBondContact O-CD2 3.49Å; W328-F331 PolarHBondContact O-N 2.98Å; P329-F331 PolarHBondContact O-N 2.93Å; F331-T333 VanDerWaalsContact C-N 3.28Å; F331-T333 PolarHBondContact O-N 3.2Å; F331-Y334 HydrophobicContact CD1-CD2 4.38Å; F331-Y334 WeakPolarHBondContact O-CB 3.45Å; F331-Y334 PolarHBondContact O-N 3.31Å; F331-Y334 VanDerWaalsContact O-N 3.12Å; F331-F335 VanDerWaalsContact O-CD2 3.3Å; F331-F335 WeakPolarHBondContact O-CD2 3.43Å; F331-F335 PolarHBondContact O-N 2.92Å |
| 332 | W | 98 | Very high | 96.8 | Very high | 13 Ų | 13 | 14.1 Ų | 14.1 | 5% | 0.049 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.9 | -30 | 168.6 | -65 | -13.5 | 0 | 0 | 0 | 112.2 | R290 P329 L330 Y334 F335 I336 Y351 A354 L355 V358 | R290-W332 WeakPolarHBondContact O-CH2 3.39Å; P329-W332 PolarHBondContact O-N 2.82Å; L330-W332 VanDerWaalsContact C-N 3.32Å; L330-W332 PolarHBondContact O-N 3.17Å; W332-Y334 VanDerWaalsContact C-N 3.31Å; W332-Y334 PolarHBondContact O-N 3.47Å; W332-F335 PolarHBondContact O-N 2.89Å; W332-I336 VanDerWaalsContact O-CG1 3.28Å; W332-I336 WeakPolarHBondContact O-CG1 3.29Å; W332-I336 PolarHBondContact O-N 3.37Å; W332-Y351 HydrophobicContact CB-CD1 4.01Å; W332-Y351 AromaticContact CD1-CD1 3.41Å; W332-Y351 VanDerWaalsContact CD1-CD1 3.41Å; W332-Y351 AromaticContact CD1-CE1 3.49Å; W332-Y351 VanDerWaalsContact CD1-CE1 3.49Å; W332-Y351 HydrophobicContact CD2-CD1 4.31Å; W332-Y351 AromaticContact CG-CD1 3.67Å; W332-Y351 HydrophobicContact CG-CD1 3.67Å; W332-Y351 HydrophobicContact CG-CE1 4.22Å; W332-Y351 AromaticContact NE1-CD1 3.89Å; W332-Y351 AromaticContact NE1-CE1 3.71Å; W332-A354 HydrophobicContact CD2-CB 4.33Å; W332-A354 HydrophobicContact CE3-CB 3.92Å; W332-A354 HydrophobicContact CH2-CB 3.88Å; W332-A354 HydrophobicContact CZ2-CB 4.3Å; W332-A354 HydrophobicContact CZ3-CB 3.7Å; W332-A354 WeakPolarHBondContact CZ3-O 3.47Å; W332-L355 HydrophobicContact CB-CD1 4.37Å; W332-L355 HydrophobicContact CE3-CB 4.43Å; W332-L355 HydrophobicContact CE3-CD1 4.18Å; W332-V358 HydrophobicContact CE3-CG2 4.4Å; W332-V358 HydrophobicContact CZ3-CG1 4.11Å; W332-V358 HydrophobicContact CZ3-CG2 3.99Å |
| 333 | T | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.8 | -33.2 | 170.9 | 75.7 | 0 | 0 | 0 | 0 | 112.3 | L330 F331 L337 L355 L369 L406 | L330-T333 WeakPolarHBondContact O-CB 3.45Å; L330-T333 PolarHBondContact O-N 3.15Å; L330-T333 PolarHBondContact O-OG1 3.31Å; F331-T333 VanDerWaalsContact C-N 3.28Å; F331-T333 PolarHBondContact O-N 3.2Å; T333-L337 WeakPolarHBondContact O-CG 3.33Å; T333-L337 PolarHBondContact O-N 3.01Å; T333-L337 VanDerWaalsContact O-N 3.11Å; T333-L355 HydrophobicContact CG2-CD2 3.87Å; T333-L369 HydrophobicContact CG2-CD2 4.25Å; T333-L406 WeakPolarHBondContact OG1-CB 3.33Å |
| 334 | Y | 98.1 | Very high | 97 | Very high | 9 Ų | 9 | 14.9 Ų | 14.9 | 4% | 0.035 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.2 | -42.6 | 171.2 | -78.5 | -86.2 | 0 | 0 | 0 | 111.7 | Y49 L260 F265 L330 F331 W332 I336 L337 D338 W402 L406 | Y49-Y334 VanDerWaalsContact CE1-OH 3.27Å; Y49-Y334 WeakPolarHBondContact CE1-OH 3.49Å; Y49-Y334 PolarHBondContact OH-OH 3.38Å; L260-Y334 HydrophobicContact CB-CD1 4.44Å; L260-Y334 HydrophobicContact CB-CG 4.34Å; F265-Y334 WeakPolarHBondContact O-CD1 3.16Å; F265-Y334 VanDerWaalsContact O-CE1 3.29Å; F265-Y334 WeakPolarHBondContact O-CE1 3.43Å; L330-Y334 HydrophobicContact CD1-CE2 4.06Å; L330-Y334 HydrophobicContact CD2-CE2 4.44Å; L330-Y334 HydrophobicContact CG-CD2 4.31Å; L330-Y334 HydrophobicContact CG-CE2 4.02Å; L330-Y334 PolarHBondContact O-N 2.94Å; F331-Y334 HydrophobicContact CD1-CD2 4.38Å; F331-Y334 WeakPolarHBondContact O-CB 3.45Å; F331-Y334 PolarHBondContact O-N 3.31Å; F331-Y334 VanDerWaalsContact O-N 3.12Å; W332-Y334 VanDerWaalsContact C-N 3.31Å; W332-Y334 PolarHBondContact O-N 3.47Å; Y334-I336 PolarHBondContact O-N 3.1Å; Y334-L337 PolarHBondContact O-N 3.17Å; Y334-D338 VanDerWaalsContact O-CB 3.3Å; Y334-D338 WeakPolarHBondContact O-CB 3.32Å; Y334-D338 PolarHBondContact O-N 3.21Å; Y334-W402 HydrophobicContact CE2-CZ2 4.49Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.38Å; Y334-W402 PolarHBondContact OH-NE1 3.16Å; Y334-W402 VanDerWaalsContact OH-NE1 3.15Å; Y334-L406 HydrophobicContact CD2-CD1 4.08Å; Y334-L406 HydrophobicContact CE1-CD1 4.18Å; Y334-L406 HydrophobicContact CE2-CD1 3.5Å; Y334-L406 VanDerWaalsContact CE2-CD1 3.5Å |
| 335 | F | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 1% | 0.013 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.6 | -33.8 | 175.5 | -72 | -61.3 | 0 | 0 | 0 | 113.6 | L260 I283 I284 F331 W332 G339 Q347 Y351 | L260-F335 HydrophobicContact CD1-CD2 4.32Å; L260-F335 HydrophobicContact CD1-CE1 4.16Å; L260-F335 HydrophobicContact CD1-CE2 3.88Å; L260-F335 HydrophobicContact CD1-CZ 3.78Å; L260-F335 HydrophobicContact CD2-CD1 4.39Å; L260-F335 HydrophobicContact CD2-CE1 3.7Å; L260-F335 HydrophobicContact CD2-CZ 3.94Å; L260-F335 HydrophobicContact CG-CZ 4.5Å; I283-F335 HydrophobicContact CG2-CZ 4.4Å; I284-F335 HydrophobicContact CD1-CE1 3.99Å; I284-F335 HydrophobicContact CD1-CZ 4.14Å; I284-F335 HydrophobicContact CG1-CE1 3.97Å; I284-F335 HydrophobicContact CG1-CE2 4.45Å; I284-F335 HydrophobicContact CG1-CZ 3.59Å; F331-F335 VanDerWaalsContact O-CD2 3.3Å; F331-F335 WeakPolarHBondContact O-CD2 3.43Å; F331-F335 PolarHBondContact O-N 2.92Å; W332-F335 PolarHBondContact O-N 2.89Å; F335-G339 PolarHBondContact O-N 3.2Å; F335-Q347 PolarHBondContact O-NE2 2.76Å; F335-Y351 HydrophobicContact CB-CD1 4.18Å; F335-Y351 HydrophobicContact CB-CD2 3.53Å; F335-Y351 HydrophobicContact CB-CE1 4.31Å; F335-Y351 HydrophobicContact CB-CE2 3.7Å; F335-Y351 HydrophobicContact CB-CG 3.8Å; F335-Y351 HydrophobicContact CD1-CE2 4.46Å; F335-Y351 HydrophobicContact CD2-CD1 4.33Å; F335-Y351 AromaticContact CD2-CE1 3.85Å; F335-Y351 HydrophobicContact CD2-CE1 3.85Å; F335-Y351 HydrophobicContact CD2-CE2 4.33Å; F335-Y351 AromaticContact CD2-CZ 3.87Å; F335-Y351 HydrophobicContact CG-CD2 4.28Å; F335-Y351 HydrophobicContact CG-CE1 4.28Å; F335-Y351 AromaticContact CG-CE2 3.95Å; F335-Y351 HydrophobicContact CG-CE2 3.95Å; F335-Y351 AromaticContact CG-CZ 3.96Å |
| 336 | I | 98.1 | Very high | 97.1 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.1 | -48.9 | 170.9 | -70.3 | 164.6 | 0 | 0 | 0 | 110.2 | W332 Y334 G339 I340 R352 L355 | W332-I336 VanDerWaalsContact O-CG1 3.28Å; W332-I336 WeakPolarHBondContact O-CG1 3.29Å; W332-I336 PolarHBondContact O-N 3.37Å; Y334-I336 PolarHBondContact O-N 3.1Å; I336-G339 PolarHBondContact O-N 3.19Å; I336-I340 HydrophobicContact CG2-CD1 3.88Å; I336-I340 WeakPolarHBondContact O-CD1 3.49Å; I336-I340 VanDerWaalsContact O-CG1 3.26Å; I336-I340 WeakPolarHBondContact O-CG1 3.42Å; I336-I340 PolarHBondContact O-N 2.7Å; I336-R352 HydrophobicContact CD1-CG 3.72Å; I336-R352 HydrophobicContact CG1-CG 4.06Å; I336-R352 HydrophobicContact CG2-CG 4.45Å; I336-L355 HydrophobicContact CD1-CD2 3.8Å |
| 337 | L | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 178.9 | -71.7 | 164.1 | 0 | 0 | 0 | 111.5 | F265 T333 Y334 G339 I340 F341 L406 L409 M413 | F265-L337 HydrophobicContact CB-CB 4.42Å; F265-L337 HydrophobicContact CD1-CB 4.48Å; F265-L337 HydrophobicContact CD1-CD1 3.78Å; F265-L337 HydrophobicContact CE1-CD1 4.09Å; T333-L337 WeakPolarHBondContact O-CG 3.33Å; T333-L337 PolarHBondContact O-N 3.01Å; T333-L337 VanDerWaalsContact O-N 3.11Å; Y334-L337 PolarHBondContact O-N 3.17Å; L337-G339 VanDerWaalsContact C-N 3.34Å; L337-G339 PolarHBondContact O-N 2.77Å; L337-I340 WeakPolarHBondContact O-CB 3.28Å; L337-I340 PolarHBondContact O-N 3.03Å; L337-I340 VanDerWaalsContact O-N 3.13Å; L337-F341 VanDerWaalsContact O-CD2 3.27Å; L337-F341 WeakPolarHBondContact O-CD2 3.46Å; L337-F341 PolarHBondContact O-N 3.44Å; L337-L406 HydrophobicContact CD1-CB 4.21Å; L337-L406 HydrophobicContact CD1-CD2 3.95Å; L337-L406 HydrophobicContact CD1-CG 4.5Å; L337-L409 HydrophobicContact CD2-CG 4.47Å; L337-M413 HydrophobicContact CD2-SD 3.84Å |
| 338 | D | 96.8 | Very high | 97 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.043 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.9 | -42.9 | 174.4 | -178.7 | 70.8 | 0 | 0 | 0 | 112.6 | S264 K280 Y334 I340 F341 S342 Q347 | S264-D338 VanDerWaalsContact CB-OD1 3.25Å; S264-D338 WeakPolarHBondContact CB-OD1 3.32Å; S264-D338 WeakPolarHBondContact OG-CB 3.49Å; S264-D338 PolarHBondContact OG-OD1 3.11Å; K280-D338 VanDerWaalsContact CE-OD1 3.29Å; K280-D338 WeakPolarHBondContact CE-OD1 3.36Å; K280-D338 WeakPolarHBondContact CE-OD2 3.42Å; K280-D338 IonicContact NZ-OD1 3.55Å; K280-D338 PolarHBondContact NZ-OD1 3.49Å; K280-D338 IonicContact NZ-OD2 2.72Å; K280-D338 PolarHBondContact NZ-OD2 3.42Å; Y334-D338 VanDerWaalsContact O-CB 3.3Å; Y334-D338 WeakPolarHBondContact O-CB 3.32Å; Y334-D338 PolarHBondContact O-N 3.21Å; D338-I340 VanDerWaalsContact C-N 3.34Å; D338-I340 PolarHBondContact O-N 2.98Å; D338-F341 PolarHBondContact O-N 2.99Å; D338-S342 WeakPolarHBondContact O-CB 3.48Å; D338-S342 PolarHBondContact O-N 3.23Å; D338-S342 PolarHBondContact O-OG 2.93Å; D338-Q347 PolarHBondContact OD2-NE2 3.05Å |
| 339 | G | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -38.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F335 I336 L337 S342 G343 N344 V348 | F335-G339 PolarHBondContact O-N 3.2Å; I336-G339 PolarHBondContact O-N 3.19Å; L337-G339 VanDerWaalsContact C-N 3.34Å; L337-G339 PolarHBondContact O-N 2.77Å; G339-S342 WeakPolarHBondContact CA-OG 3.32Å; G339-S342 PolarHBondContact O-OG 3.29Å; G339-G343 CarbonylContact O-C 3.51Å; G339-G343 WeakPolarHBondContact O-CA 3.46Å; G339-G343 PolarHBondContact O-N 3.49Å; G339-N344 PolarHBondContact O-N 3.2Å; G339-V348 VanDerWaalsContact C-CG2 3.4Å |
| 340 | I | 97.2 | Very high | 97 | Very high | 28 Ų | 28 | 38.4 Ų | 38.4 | 14% | 0.144 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.8 | -42.4 | 175.5 | -66.9 | 162.5 | 0 | 0 | 0 | 111.5 | I336 L337 D338 V348 G410 M413 A414 P420 | I336-I340 HydrophobicContact CG2-CD1 3.88Å; I336-I340 WeakPolarHBondContact O-CD1 3.49Å; I336-I340 VanDerWaalsContact O-CG1 3.26Å; I336-I340 WeakPolarHBondContact O-CG1 3.42Å; I336-I340 PolarHBondContact O-N 2.7Å; L337-I340 WeakPolarHBondContact O-CB 3.28Å; L337-I340 PolarHBondContact O-N 3.03Å; L337-I340 VanDerWaalsContact O-N 3.13Å; D338-I340 VanDerWaalsContact C-N 3.34Å; D338-I340 PolarHBondContact O-N 2.98Å; I340-V348 HydrophobicContact CG1-CG1 4.3Å; I340-V348 HydrophobicContact CG1-CG2 3.73Å; I340-G410 WeakPolarHBondContact CD1-O 3.35Å; I340-M413 HydrophobicContact CD1-CB 4Å; I340-M413 HydrophobicContact CG2-CB 4.04Å; I340-M413 HydrophobicContact CG2-CE 3.96Å; I340-A414 HydrophobicContact CD1-CB 3.97Å; I340-A414 HydrophobicContact CG1-CB 4.49Å; I340-P420 HydrophobicContact CG2-CG 4.4Å |
| 341 | F | 95.8 | Very high | 97 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.3 | -31.4 | -179.7 | -85.2 | -78 | 0 | 0 | 0 | 113.1 | F265 F268 L337 D338 M413 P420 I423 D424 R429 | F265-F341 HydrophobicContact CB-CD2 3.98Å; F265-F341 HydrophobicContact CB-CE2 3.89Å; F265-F341 HydrophobicContact CD2-CD2 4.29Å; F265-F341 AromaticContact CD2-CE2 3.37Å; F265-F341 HydrophobicContact CD2-CE2 3.37Å; F265-F341 AromaticContact CD2-CZ 3.65Å; F265-F341 HydrophobicContact CD2-CZ 3.65Å; F265-F341 HydrophobicContact CE2-CE2 4.16Å; F265-F341 HydrophobicContact CE2-CZ 4.2Å; F265-F341 HydrophobicContact CG-CD2 4.37Å; F265-F341 AromaticContact CG-CE2 3.78Å; F265-F341 HydrophobicContact CG-CE2 3.78Å; F265-F341 HydrophobicContact CG-CZ 4.48Å; F268-F341 HydrophobicContact CE1-CB 4.21Å; F268-F341 HydrophobicContact CE1-CD1 4.38Å; F268-F341 HydrophobicContact CE1-CG 4.17Å; F268-F341 HydrophobicContact CE2-CD1 4.44Å; F268-F341 HydrophobicContact CE2-CE1 4.31Å; F268-F341 HydrophobicContact CE2-CZ 4.49Å; F268-F341 HydrophobicContact CZ-CB 4.19Å; F268-F341 AromaticContact CZ-CD1 3.66Å; F268-F341 HydrophobicContact CZ-CD1 3.66Å; F268-F341 AromaticContact CZ-CD2 3.87Å; F268-F341 HydrophobicContact CZ-CD2 3.87Å; F268-F341 AromaticContact CZ-CE1 3.93Å; F268-F341 HydrophobicContact CZ-CE1 3.93Å; F268-F341 HydrophobicContact CZ-CE2 4.13Å; F268-F341 AromaticContact CZ-CG 3.65Å; F268-F341 HydrophobicContact CZ-CG 3.65Å; F268-F341 HydrophobicContact CZ-CZ 4.16Å; L337-F341 VanDerWaalsContact O-CD2 3.27Å; L337-F341 WeakPolarHBondContact O-CD2 3.46Å; L337-F341 PolarHBondContact O-N 3.44Å; D338-F341 PolarHBondContact O-N 2.99Å; F341-M413 HydrophobicContact CE2-CE 3.85Å; F341-M413 HydrophobicContact CZ-CE 3.84Å; F341-P420 HydrophobicContact CD1-CB 3.77Å; F341-P420 HydrophobicContact CE1-CB 3.68Å; F341-I423 HydrophobicContact CZ-CG2 4.42Å; F341-D424 HydrophobicContact CE1-CB 3.95Å; F341-D424 HydrophobicContact CZ-CB 4.33Å; F341-R429 HydrophobicContact CD1-CB 3.99Å; F341-R429 HydrophobicContact CD1-CG 4.49Å; F341-R429 HydrophobicContact CE1-CB 4.46Å |
| 342 | S | 93.6 | Very high | 97 | Very high | 73 Ų | 73 | 41.4 Ų | 41.4 | 51% | 0.51 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -84.2 | -18.6 | 174.2 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | D338 G339 | D338-S342 WeakPolarHBondContact O-CB 3.48Å; D338-S342 PolarHBondContact O-N 3.23Å; D338-S342 PolarHBondContact O-OG 2.93Å; G339-S342 WeakPolarHBondContact CA-OG 3.32Å; G339-S342 PolarHBondContact O-OG 3.29Å |
| 343 | G | 94.6 | Very high | 96.9 | Very high | 56 Ų | 56 | 46.6 Ų | 46.6 | 58% | 0.577 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | G339 T345 | G339-G343 CarbonylContact O-C 3.51Å; G339-G343 WeakPolarHBondContact O-CA 3.46Å; G339-G343 PolarHBondContact O-N 3.49Å; G343-T345 PolarHBondContact O-N 3.38Å |
| 344 | N | 96.4 | Very high | 96.8 | Very high | 63 Ų | 63 | 47.9 Ų | 47.9 | 34% | 0.337 | 26% | 0.26 | S | S | . | . | trans | -75.2 | 89 | 176.4 | -174.8 | -4.5 | 0 | 0 | 0 | 111.5 | G339 E346 Q347 V348 | G339-N344 PolarHBondContact O-N 3.2Å; N344-E346 VanDerWaalsContact C-N 3.26Å; N344-E346 PolarHBondContact O-N 3.45Å; N344-E346 PolarHBondContact OD1-N 2.93Å; N344-Q347 HydrophobicContact CB-CB 4.13Å; N344-Q347 VanDerWaalsContact CG-CB 3.46Å; N344-Q347 VanDerWaalsContact ND2-CB 3.27Å; N344-Q347 WeakPolarHBondContact ND2-CB 3.36Å; N344-Q347 PolarHBondContact ND2-OE1 3.41Å; N344-Q347 PolarHBondContact OD1-N 3.42Å; N344-V348 WeakPolarHBondContact O-CG2 3.5Å; N344-V348 PolarHBondContact O-N 3.16Å | ||
| 345 | T | 95.5 | Very high | 96.7 | Very high | 111 Ų | 111 | 47.5 Ų | 47.5 | 68% | 0.681 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.5 | -23.1 | -179.9 | 50.5 | 0 | 0 | 0 | 0 | 114.4 | G343 Q349 | G343-T345 PolarHBondContact O-N 3.38Å; T345-Q349 PolarHBondContact O-N 3.38Å |
| 346 | E | 97.3 | Very high | 96.6 | Very high | 154 Ų | 154 | 52 Ų | 52 | 72% | 0.72 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -73.1 | -49.7 | -179.7 | -61.8 | -176.4 | 167.7 | 0 | 0 | 110 | N344 V348 Q349 E350 | N344-E346 VanDerWaalsContact C-N 3.26Å; N344-E346 PolarHBondContact O-N 3.45Å; N344-E346 PolarHBondContact OD1-N 2.93Å; E346-V348 VanDerWaalsContact C-N 3.29Å; E346-V348 PolarHBondContact O-N 2.76Å; E346-Q349 PolarHBondContact O-N 3.15Å; E346-E350 PolarHBondContact O-N 3.34Å |
| 347 | Q | 96.9 | Very high | 96.4 | Very high | 28 Ų | 28 | 55.8 Ų | 55.8 | 13% | 0.131 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.9 | -41.5 | 170.7 | 172.5 | -178.9 | -22.7 | 0 | 0 | 112.3 | F335 D338 N344 Q349 Y351 | F335-Q347 PolarHBondContact O-NE2 2.76Å; D338-Q347 PolarHBondContact OD2-NE2 3.05Å; N344-Q347 HydrophobicContact CB-CB 4.13Å; N344-Q347 VanDerWaalsContact CG-CB 3.46Å; N344-Q347 VanDerWaalsContact ND2-CB 3.27Å; N344-Q347 WeakPolarHBondContact ND2-CB 3.36Å; N344-Q347 PolarHBondContact ND2-OE1 3.41Å; N344-Q347 PolarHBondContact OD1-N 3.42Å; Q347-Q349 VanDerWaalsContact C-N 3.32Å; Q347-Q349 PolarHBondContact O-N 2.85Å; Q347-Y351 HydrophobicContact CG-CD2 3.84Å; Q347-Y351 HydrophobicContact CG-CE2 3.98Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.26Å; Q347-Y351 PolarHBondContact O-N 3.06Å; Q347-Y351 VanDerWaalsContact O-N 3.13Å |
| 348 | V | 97.8 | Very high | 96.3 | Very high | 15 Ų | 15 | 56.6 Ų | 56.6 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | G339 I340 N344 E346 R352 A414 | G339-V348 VanDerWaalsContact C-CG2 3.4Å; I340-V348 HydrophobicContact CG1-CG1 4.3Å; I340-V348 HydrophobicContact CG1-CG2 3.73Å; N344-V348 WeakPolarHBondContact O-CG2 3.5Å; N344-V348 PolarHBondContact O-N 3.16Å; E346-V348 VanDerWaalsContact C-N 3.29Å; E346-V348 PolarHBondContact O-N 2.76Å; V348-R352 WeakPolarHBondContact O-CB 3.29Å; V348-R352 WeakPolarHBondContact O-CD 3.33Å; V348-R352 WeakPolarHBondContact O-CG 3.37Å; V348-R352 PolarHBondContact O-N 3.28Å; V348-A414 HydrophobicContact CG1-CB 4.15Å |
| 349 | Q | 97.4 | Very high | 96.3 | Very high | 90 Ų | 90 | 57 Ų | 57 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -76 | -44.6 | -179.9 | -171.8 | 60.5 | 24.6 | 0 | 0 | 111.6 | T345 E346 Q347 R352 E353 | T345-Q349 PolarHBondContact O-N 3.38Å; E346-Q349 PolarHBondContact O-N 3.15Å; Q347-Q349 VanDerWaalsContact C-N 3.32Å; Q347-Q349 PolarHBondContact O-N 2.85Å; Q349-R352 PolarHBondContact O-N 2.75Å; Q349-E353 PolarHBondContact NE2-OE1 3.31Å; Q349-E353 PolarHBondContact O-N 3.33Å |
| 350 | E | 97.2 | Very high | 96.2 | Very high | 119 Ų | 119 | 59 Ų | 59 | 56% | 0.556 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -53.6 | -56.6 | 177.1 | -180 | -178.4 | -171.9 | 0 | 0 | 111.8 | E346 R352 E353 A354 | E346-E350 PolarHBondContact O-N 3.34Å; E350-R352 VanDerWaalsContact C-N 3.3Å; E350-R352 PolarHBondContact O-N 3.46Å; E350-E353 PolarHBondContact O-N 3.4Å; E350-A354 PolarHBondContact O-N 3.1Å |
| 351 | Y | 97.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 66 Ų | 66 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.5 | -22 | -178.3 | -72.5 | -71.5 | 0 | 0 | 0 | 113.1 | Q288 W332 F335 Q347 L355 | Q288-Y351 PolarHBondContact NE2-OH 3.18Å; Q288-Y351 PolarHBondContact OE1-OH 2.85Å; Q288-Y351 VanDerWaalsContact OE1-OH 3.07Å; W332-Y351 HydrophobicContact CB-CD1 4.01Å; W332-Y351 AromaticContact CD1-CD1 3.41Å; W332-Y351 VanDerWaalsContact CD1-CD1 3.41Å; W332-Y351 AromaticContact CD1-CE1 3.49Å; W332-Y351 VanDerWaalsContact CD1-CE1 3.49Å; W332-Y351 HydrophobicContact CD2-CD1 4.31Å; W332-Y351 AromaticContact CG-CD1 3.67Å; W332-Y351 HydrophobicContact CG-CD1 3.67Å; W332-Y351 HydrophobicContact CG-CE1 4.22Å; W332-Y351 AromaticContact NE1-CD1 3.89Å; W332-Y351 AromaticContact NE1-CE1 3.71Å; F335-Y351 HydrophobicContact CB-CD1 4.18Å; F335-Y351 HydrophobicContact CB-CD2 3.53Å; F335-Y351 HydrophobicContact CB-CE1 4.31Å; F335-Y351 HydrophobicContact CB-CE2 3.7Å; F335-Y351 HydrophobicContact CB-CG 3.8Å; F335-Y351 HydrophobicContact CD1-CE2 4.46Å; F335-Y351 HydrophobicContact CD2-CD1 4.33Å; F335-Y351 AromaticContact CD2-CE1 3.85Å; F335-Y351 HydrophobicContact CD2-CE1 3.85Å; F335-Y351 HydrophobicContact CD2-CE2 4.33Å; F335-Y351 AromaticContact CD2-CZ 3.87Å; F335-Y351 HydrophobicContact CG-CD2 4.28Å; F335-Y351 HydrophobicContact CG-CE1 4.28Å; F335-Y351 AromaticContact CG-CE2 3.95Å; F335-Y351 HydrophobicContact CG-CE2 3.95Å; F335-Y351 AromaticContact CG-CZ 3.96Å; Q347-Y351 HydrophobicContact CG-CD2 3.84Å; Q347-Y351 HydrophobicContact CG-CE2 3.98Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.26Å; Q347-Y351 PolarHBondContact O-N 3.06Å; Q347-Y351 VanDerWaalsContact O-N 3.13Å; Y351-L355 WeakPolarHBondContact O-CB 3.42Å; Y351-L355 PolarHBondContact O-N 2.98Å |
| 352 | R | 97 | Very high | 95.5 | Very high | 49 Ų | 49 | 65.6 Ų | 65.6 | 19% | 0.185 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.7 | -44.1 | 169.9 | -78.6 | 176.9 | 87.2 | -174.4 | 9.3 | 111.8 | I336 V348 Q349 E350 L355 D356 N411 E415 | I336-R352 HydrophobicContact CD1-CG 3.72Å; I336-R352 HydrophobicContact CG1-CG 4.06Å; I336-R352 HydrophobicContact CG2-CG 4.45Å; V348-R352 WeakPolarHBondContact O-CB 3.29Å; V348-R352 WeakPolarHBondContact O-CD 3.33Å; V348-R352 WeakPolarHBondContact O-CG 3.37Å; V348-R352 PolarHBondContact O-N 3.28Å; Q349-R352 PolarHBondContact O-N 2.75Å; E350-R352 VanDerWaalsContact C-N 3.3Å; E350-R352 PolarHBondContact O-N 3.46Å; R352-L355 PolarHBondContact O-N 3.5Å; R352-D356 WeakPolarHBondContact O-CB 3.13Å; R352-D356 PolarHBondContact O-N 3.39Å; R352-N411 PolarHBondContact NE-OD1 2.96Å; R352-N411 PolarHBondContact NH2-OD1 3.14Å; R352-E415 IonicContact NH2-OE1 2.73Å |
| 353 | E | 96.9 | Very high | 94.8 | Very high | 121 Ų | 121 | 71.2 Ų | 71.2 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 177.1 | -71.7 | -179.3 | -163.6 | 0 | 0 | 111.7 | Q349 E350 A357 | Q349-E353 PolarHBondContact NE2-OE1 3.31Å; Q349-E353 PolarHBondContact O-N 3.33Å; E350-E353 PolarHBondContact O-N 3.4Å; E353-A357 PolarHBondContact O-N 3.1Å |
| 354 | A | 96.7 | Very high | 94.1 | Very high | 29 Ų | 29 | 76.5 Ų | 76.5 | 24% | 0.24 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W332 E350 A357 | W332-A354 HydrophobicContact CD2-CB 4.33Å; W332-A354 HydrophobicContact CE3-CB 3.92Å; W332-A354 HydrophobicContact CH2-CB 3.88Å; W332-A354 HydrophobicContact CZ2-CB 4.3Å; W332-A354 HydrophobicContact CZ3-CB 3.7Å; W332-A354 WeakPolarHBondContact CZ3-O 3.47Å; E350-A354 PolarHBondContact O-N 3.1Å; A354-A357 WeakPolarHBondContact O-CB 3.45Å; A354-A357 PolarHBondContact O-N 2.91Å |
| 355 | L | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.3 | -40.8 | -179.8 | -165.8 | 64.7 | 0 | 0 | 0 | 112.6 | P329 W332 T333 I336 Y351 R352 A357 V358 L359 L369 Y407 | P329-L355 HydrophobicContact CB-CD1 3.95Å; W332-L355 HydrophobicContact CB-CD1 4.37Å; W332-L355 HydrophobicContact CE3-CB 4.43Å; W332-L355 HydrophobicContact CE3-CD1 4.18Å; T333-L355 HydrophobicContact CG2-CD2 3.87Å; I336-L355 HydrophobicContact CD1-CD2 3.8Å; Y351-L355 WeakPolarHBondContact O-CB 3.42Å; Y351-L355 PolarHBondContact O-N 2.98Å; R352-L355 PolarHBondContact O-N 3.5Å; L355-A357 PolarHBondContact O-N 2.92Å; L355-V358 HydrophobicContact CD1-CG2 4.18Å; L355-V358 VanDerWaalsContact O-CG2 3.27Å; L355-V358 WeakPolarHBondContact O-CG2 3.36Å; L355-V358 PolarHBondContact O-N 2.7Å; L355-V358 VanDerWaalsContact O-N 3.12Å; L355-L359 WeakPolarHBondContact O-CG 3.48Å; L355-L359 PolarHBondContact O-N 3.01Å; L355-L369 HydrophobicContact CD1-CD1 3.56Å; L355-L369 HydrophobicContact CG-CD1 4.33Å; L355-Y407 HydrophobicContact CD2-CD2 3.54Å; L355-Y407 HydrophobicContact CD2-CE2 4.14Å; L355-Y407 HydrophobicContact CD2-CG 4.48Å; L355-Y407 HydrophobicContact CG-CD2 4.43Å |
| 356 | D | 94.6 | Very high | 93.4 | Very high | 98 Ų | 98 | 71.7 Ų | 71.7 | 52% | 0.524 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.9 | -25.5 | 175 | -85.6 | -10.9 | 0 | 0 | 0 | 112.8 | R352 | R352-D356 WeakPolarHBondContact O-CB 3.13Å; R352-D356 PolarHBondContact O-N 3.39Å |
| 357 | A | 94.7 | Very high | 93.2 | Very high | 86 Ų | 86 | 66.1 Ų | 66.1 | 71% | 0.711 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -72.7 | -26.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E353 A354 L355 | E353-A357 PolarHBondContact O-N 3.1Å; A354-A357 WeakPolarHBondContact O-CB 3.45Å; A354-A357 PolarHBondContact O-N 2.91Å; L355-A357 PolarHBondContact O-N 2.92Å |
| 358 | V | 95.6 | Very high | 93.1 | Very high | 16 Ų | 16 | 66.1 Ų | 66.1 | 10% | 0.097 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -101 | -19.3 | 179.9 | -60.6 | 0 | 0 | 0 | 0 | 114.2 | Y291 P329 W332 L355 I360 Y373 | Y291-V358 HydrophobicContact CD1-CG1 3.82Å; P329-V358 HydrophobicContact CB-CG2 4.15Å; W332-V358 HydrophobicContact CE3-CG2 4.4Å; W332-V358 HydrophobicContact CZ3-CG1 4.11Å; W332-V358 HydrophobicContact CZ3-CG2 3.99Å; L355-V358 HydrophobicContact CD1-CG2 4.18Å; L355-V358 VanDerWaalsContact O-CG2 3.27Å; L355-V358 WeakPolarHBondContact O-CG2 3.36Å; L355-V358 PolarHBondContact O-N 2.7Å; L355-V358 VanDerWaalsContact O-N 3.12Å; V358-I360 PolarHBondContact O-N 3.44Å; V358-Y373 HydrophobicContact CB-CE2 4.15Å; V358-Y373 PolarHBondContact O-OH 3.09Å |
| 359 | L | 95.8 | Very high | 93 | Very high | 16 Ų | 16 | 65.4 Ų | 65.4 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | trans | -57.4 | 127.1 | -177.5 | -83.8 | 167.7 | 0 | 0 | 0 | 114.1 | L355 P367 L369 Y407 | L355-L359 WeakPolarHBondContact O-CG 3.48Å; L355-L359 PolarHBondContact O-N 3.01Å; L359-P367 HydrophobicContact CD1-CB 4.25Å; L359-P367 HydrophobicContact CD2-CB 4.43Å; L359-L369 HydrophobicContact CD2-CB 4Å; L359-L369 HydrophobicContact CD2-CD1 3.7Å; L359-L369 HydrophobicContact CD2-CG 4.5Å; L359-L369 HydrophobicContact CG-CD1 4.42Å; L359-Y407 HydrophobicContact CD1-CD2 4.32Å; L359-Y407 HydrophobicContact CD1-CE1 4.16Å; L359-Y407 HydrophobicContact CD1-CE2 3.52Å; L359-Y407 VanDerWaalsContact CD1-CZ 3.43Å; L359-Y407 WeakPolarHBondContact CD1-OH 3.32Å | ||
| 360 | I | 95.1 | Very high | 92.9 | Very high | 44 Ų | 44 | 61.2 Ų | 61.2 | 23% | 0.226 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 126.4 | -177.7 | -57.1 | 179.3 | 0 | 0 | 0 | 109.6 | V358 G362 L368 P370 P394 L398 | V358-I360 PolarHBondContact O-N 3.44Å; I360-G362 PolarHBondContact O-N 2.84Å; I360-L368 PolarHBondContact N-O 3.13Å; I360-L368 PolarHBondContact O-N 3.11Å; I360-P370 HydrophobicContact CD1-CB 3.98Å; I360-P370 HydrophobicContact CD1-CG 4.03Å; I360-P370 HydrophobicContact CG1-CG 4.44Å; I360-P394 HydrophobicContact CD1-CB 3.57Å; I360-P394 HydrophobicContact CD1-CG 3.76Å; I360-L398 HydrophobicContact CB-CD1 4.32Å; I360-L398 HydrophobicContact CD1-CD1 3.91Å; I360-L398 HydrophobicContact CD1-CD2 3.97Å; I360-L398 HydrophobicContact CG2-CD2 4.23Å |
| 361 | K | 92.4 | Very high | 92.9 | Very high | 173 Ų | 173 | 55.8 Ų | 55.8 | 75% | 0.752 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 100 | 179.8 | -68 | 173.3 | -174.6 | 169.3 | 0 | 110 | ||
| 362 | G | 85.7 | Confident | 92.8 | Very high | 21 Ų | 21 | 55 Ų | 55 | 22% | 0.216 | 31% | 0.305 | C | S | . | . | trans | -71 | -171.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I360 N364 G365 V366 | I360-G362 PolarHBondContact O-N 2.84Å; G362-N364 PolarHBondContact O-N 3Å; G362-G365 PolarHBondContact O-N 2.95Å; G362-V366 PolarHBondContact N-O 3.16Å | ||
| 363 | K | 79.4 | Confident | 92.9 | Very high | 191 Ų | 191 | 53.2 Ų | 53.2 | 83% | 0.83 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -54.1 | 139 | 175.8 | -64.6 | 178.6 | -177.4 | 172.8 | 0 | 110 | G365 V366 | K363-G365 PolarHBondContact O-N 3.41Å; K363-V366 WeakPolarHBondContact O-CG2 3.44Å |
| 364 | N | 80.1 | Confident | 92.9 | Very high | 166 Ų | 166 | 47.7 Ų | 47.7 | 89% | 0.888 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | 60.4 | 15.2 | -174.7 | -50.4 | -25.1 | 0 | 0 | 0 | 115.3 | G362 | G362-N364 PolarHBondContact O-N 3Š|
| 365 | G | 86.4 | Confident | 92.9 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | 81.7 | 14.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | G362 K363 | G362-G365 PolarHBondContact O-N 2.95Å; K363-G365 PolarHBondContact O-N 3.41Å |
| 366 | V | 90.7 | Very high | 92.9 | Very high | 23 Ų | 23 | 47.1 Ų | 47.1 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | trans | -62.3 | 128.4 | 176.6 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | L17 T21 G362 K363 L368 | L17-V366 HydrophobicContact CD1-CG1 3.58Å; T21-V366 HydrophobicContact CG2-CG1 3.97Å; G362-V366 PolarHBondContact N-O 3.16Å; K363-V366 WeakPolarHBondContact O-CG2 3.44Å; V366-L368 HydrophobicContact CG1-CD2 3.83Å; V366-L368 HydrophobicContact CG1-CG 4.48Å; V366-L368 PolarHBondContact O-N 2.94Å | ||
| 367 | P | 93.5 | Very high | 92.9 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 24% | 0.24 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 122.2 | 174.2 | 29 | -32.8 | 0 | 0 | 0 | 110.5 | L17 L359 Q404 Y407 | L17-P367 HydrophobicContact CD1-CG 4.29Å; L17-P367 HydrophobicContact CD2-CG 4.47Å; L359-P367 HydrophobicContact CD1-CB 4.25Å; L359-P367 HydrophobicContact CD2-CB 4.43Å; P367-Q404 PolarHBondContact O-NE2 3.41Å; P367-Y407 HydrophobicContact CB-CE1 4.4Å; P367-Y407 HydrophobicContact CG-CE1 4.28Å |
| 368 | L | 95.1 | Very high | 93 | Very high | 27 Ų | 27 | 49.6 Ų | 49.6 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.6 | 179 | -56.5 | 178.5 | 0 | 0 | 0 | 109.8 | T21 I360 V366 L398 P399 | T21-L368 HydrophobicContact CG2-CD2 3.6Å; I360-L368 PolarHBondContact N-O 3.13Å; I360-L368 PolarHBondContact O-N 3.11Å; V366-L368 HydrophobicContact CG1-CD2 3.83Å; V366-L368 HydrophobicContact CG1-CG 4.48Å; V366-L368 PolarHBondContact O-N 2.94Å; L368-L398 HydrophobicContact CB-CD1 3.65Å; L368-L398 HydrophobicContact CB-CG 4.35Å; L368-L398 HydrophobicContact CD1-CG 4.35Å; L368-P399 HydrophobicContact CB-CB 4.48Å; L368-P399 HydrophobicContact CD2-CB 4.14Å; L368-P399 HydrophobicContact CD2-CG 4.23Å |
| 369 | L | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -85.1 | 124.1 | 173.3 | -163.8 | 75.7 | 0 | 0 | 0 | 110.2 | P329 T333 L355 L359 P399 H400 G403 | P329-L369 HydrophobicContact CB-CD1 4Å; P329-L369 HydrophobicContact CG-CD1 3.93Å; P329-L369 HydrophobicContact CG-CG 4.15Å; T333-L369 HydrophobicContact CG2-CD2 4.25Å; L355-L369 HydrophobicContact CD1-CD1 3.56Å; L355-L369 HydrophobicContact CG-CD1 4.33Å; L359-L369 HydrophobicContact CD2-CB 4Å; L359-L369 HydrophobicContact CD2-CD1 3.7Å; L359-L369 HydrophobicContact CD2-CG 4.5Å; L359-L369 HydrophobicContact CG-CD1 4.42Å; L369-P399 CarbonylContact O-C 3.57Å; L369-P399 WeakPolarHBondContact O-CA 3.34Å; L369-H400 PolarHBondContact O-N 2.71Å; L369-G403 VanDerWaalsContact CD2-C 3.43Å | ||
| 370 | P | 95.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | trans | -74.3 | 166.5 | 171.3 | 32.1 | -34.3 | 0 | 0 | 0 | 111.5 | P329 I360 Y373 P394 K397 L398 | P329-P370 HydrophobicContact CG-CG 4.28Å; I360-P370 HydrophobicContact CD1-CB 3.98Å; I360-P370 HydrophobicContact CD1-CG 4.03Å; I360-P370 HydrophobicContact CG1-CG 4.44Å; P370-Y373 HydrophobicContact CG-CD2 4.36Å; P370-Y373 HydrophobicContact CG-CE2 3.47Å; P370-Y373 VanDerWaalsContact CG-CE2 3.47Å; P370-P394 HydrophobicContact CB-CB 4.17Å; P370-P394 HydrophobicContact CG-CB 4.32Å; P370-K397 CarbonylContact C-O 3.58Å; P370-L398 HydrophobicContact CB-CD1 4.15Å | ||
| 371 | E | 95.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 2% | 0.023 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -64.5 | -53.8 | 171.6 | -170.8 | 179.1 | -174.1 | 0 | 0 | 111.3 | Y301 K302 W328 G396 K397 H400 | Y301-E371 PolarHBondContact OH-OE1 3.43Å; K302-E371 IonicContact NZ-OE1 2.94Å; K302-E371 PolarHBondContact NZ-OE1 3.38Å; K302-E371 IonicContact NZ-OE2 3.24Å; K302-E371 PolarHBondContact NZ-OE2 2.93Å; W328-E371 HydrophobicContact CE3-CG 4.15Å; W328-E371 VanDerWaalsContact CE3-O 3.23Å; W328-E371 HydrophobicContact CH2-CG 3.57Å; W328-E371 HydrophobicContact CZ2-CG 4.27Å; W328-E371 HydrophobicContact CZ3-CG 3.51Å; E371-G396 WeakPolarHBondContact OE2-CA 3.42Å; E371-K397 HydrophobicContact CB-CB 4.11Å; E371-K397 PolarHBondContact N-O 2.61Å; E371-K397 PolarHBondContact OE2-N 3.34Å; E371-H400 HydrophobicContact CB-CB 4.17Å |
| 372 | L | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 173.4 | -175.3 | 58.8 | 74.6 | 0 | 0 | 0 | 114.1 | Y301 K302 C326 E327 W328 P394 M395 | Y301-L372 HydrophobicContact CD1-CD2 3.9Å; Y301-L372 HydrophobicContact CE1-CD2 4.07Å; K302-L372 HydrophobicContact CB-CD1 4.3Å; K302-L372 HydrophobicContact CB-CD2 4.19Å; K302-L372 HydrophobicContact CD-CD2 3.97Å; C326-L372 HydrophobicContact CB-CB 4.23Å; C326-L372 HydrophobicContact CB-CD1 3.92Å; C326-L372 HydrophobicContact CB-CD2 3.77Å; C326-L372 HydrophobicContact CB-CG 4.19Å; E327-L372 CarbonylContact O-C 3.47Å; E327-L372 WeakPolarHBondContact O-CA 3.44Å; W328-L372 HydrophobicContact CD2-CB 4.04Å; W328-L372 HydrophobicContact CD2-CD2 4.48Å; W328-L372 HydrophobicContact CG-CB 3.97Å; W328-L372 HydrophobicContact CZ2-CD2 3.67Å; L372-P394 WeakPolarHBondContact O-CA 3.43Å; L372-M395 HydrophobicContact CD1-CB 3.72Å; L372-M395 PolarHBondContact N-O 2.87Å; L372-M395 PolarHBondContact O-N 2.8Å |
| 373 | Y | 97.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 49.1 Ų | 49.1 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 119.8 | 175.6 | -79.4 | -92.7 | 0 | 0 | 0 | 111.3 | Y291 C326 E327 P329 V358 P370 R392 V393 P394 | Y291-Y373 AromaticContact CD1-CD1 3.44Å; Y291-Y373 HydrophobicContact CD1-CD1 3.44Å; Y291-Y373 VanDerWaalsContact CD1-CD1 3.44Å; Y291-Y373 HydrophobicContact CD1-CD2 4.22Å; Y291-Y373 AromaticContact CD1-CE1 3.71Å; Y291-Y373 HydrophobicContact CD1-CE1 3.71Å; Y291-Y373 HydrophobicContact CD1-CE2 4.45Å; Y291-Y373 AromaticContact CD1-CG 3.73Å; Y291-Y373 HydrophobicContact CD1-CG 3.73Å; Y291-Y373 AromaticContact CE1-CD1 3.93Å; Y291-Y373 HydrophobicContact CE1-CD1 3.93Å; Y291-Y373 HydrophobicContact CE1-CE1 4.11Å; Y291-Y373 AromaticContact CG-CD1 4Å; Y291-Y373 HydrophobicContact CG-CD1 4Å; Y291-Y373 HydrophobicContact CG-CD2 4.35Å; Y291-Y373 AromaticContact CG-CG 3.86Å; Y291-Y373 HydrophobicContact CG-CG 3.86Å; C326-Y373 WeakPolarHBondContact CA-O 3.44Å; E327-Y373 PolarHBondContact N-O 2.74Å; E327-Y373 PolarHBondContact O-N 3.32Å; P329-Y373 HydrophobicContact CG-CD2 4.45Å; P329-Y373 HydrophobicContact CG-CE2 4.25Å; V358-Y373 HydrophobicContact CB-CE2 4.15Å; V358-Y373 PolarHBondContact O-OH 3.09Å; P370-Y373 HydrophobicContact CG-CD2 4.36Å; P370-Y373 HydrophobicContact CG-CE2 3.47Å; P370-Y373 VanDerWaalsContact CG-CE2 3.47Å; Y373-R392 HydrophobicContact CD1-CB 4.24Å; Y373-R392 PolarHBondContact O-NH1 3.44Å; Y373-V393 WeakPolarHBondContact CA-O 3.42Å; Y373-P394 HydrophobicContact CD1-CB 4.28Å; Y373-P394 HydrophobicContact CE1-CB 3.75Å; Y373-P394 HydrophobicContact CE1-CG 4.21Å |
| 374 | S | 97.4 | Very high | 94.2 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 150.9 | -177.7 | -165.8 | 0 | 0 | 0 | 0 | 111.3 | K302 R392 V393 | K302-S374 PolarHBondContact O-OG 3.16Å; S374-R392 CarbonylContact O-C 3.57Å; S374-R392 WeakPolarHBondContact O-CA 3.3Å; S374-R392 WeakPolarHBondContact O-CB 3.36Å; S374-V393 PolarHBondContact N-O 3.48Å; S374-V393 WeakPolarHBondContact O-CG2 3.38Å; S374-V393 PolarHBondContact O-N 2.84Å |
| 375 | V | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | trans | -66.1 | 140.7 | 174.2 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | P304 I324 V380 E383 V390 | P304-V375 HydrophobicContact CG-CB 4.3Å; P304-V375 WeakPolarHBondContact CG-O 3.38Å; I324-V375 HydrophobicContact CB-CG2 4.24Å; V375-V380 HydrophobicContact CG1-CG2 4.31Å; V375-E383 HydrophobicContact CG1-CB 4.21Å; V375-E383 HydrophobicContact CG2-CG 4.23Å; V375-V390 HydrophobicContact CG1-CB 4.43Å; V375-V390 HydrophobicContact CG1-CG1 3.98Å | ||
| 376 | P | 96.3 | Very high | 95.2 | Very high | 16 Ų | 16 | 44.7 Ų | 44.7 | 10% | 0.104 | 23% | 0.229 | C | C | . | . | trans | -60.7 | 132.4 | 172 | -23.3 | 34.6 | 0 | 0 | 0 | 111.4 | D378 R379 V380 V390 D391 V393 | P376-D378 WeakPolarHBondContact CB-OD1 3.4Å; P376-D378 PolarHBondContact O-N 2.91Å; P376-D378 VanDerWaalsContact O-N 3.08Å; P376-R379 HydrophobicContact CB-CB 4.33Å; P376-R379 HydrophobicContact CB-CG 4.4Å; P376-R379 PolarHBondContact O-N 2.77Å; P376-V380 PolarHBondContact O-N 3.04Å; P376-V390 HydrophobicContact CG-CG1 4.34Å; P376-D391 VanDerWaalsContact CD-O 3.31Å; P376-D391 WeakPolarHBondContact CD-O 3.45Å; P376-D391 WeakPolarHBondContact CG-O 3.27Å; P376-V393 HydrophobicContact CG-CG1 4.41Å | ||
| 377 | P | 94.1 | Very high | 95.3 | Very high | 99 Ų | 99 | 46.1 Ų | 46.1 | 64% | 0.643 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.7 | -176.8 | -26.7 | 34.5 | 0 | 0 | 0 | 115 | P304 | P304-P377 HydrophobicContact CB-CB 4.08Å; P304-P377 HydrophobicContact CB-CG 4.12Å; P304-P377 HydrophobicContact CG-CG 4.43Å |
| 378 | D | 95.7 | Very high | 95.1 | Very high | 137 Ų | 137 | 48.5 Ų | 48.5 | 73% | 0.733 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -13.2 | 177.1 | 58.1 | -56.9 | 0 | 0 | 0 | 114.3 | P376 | P376-D378 WeakPolarHBondContact CB-OD1 3.4Å; P376-D378 PolarHBondContact O-N 2.91Å; P376-D378 VanDerWaalsContact O-N 3.08Å |
| 379 | R | 95.7 | Very high | 95 | Very high | 79 Ų | 79 | 50.7 Ų | 50.7 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -116.7 | 8.5 | -177.8 | -61.7 | -172.9 | 70.5 | -167.9 | 1.8 | 114.4 | P376 D381 E382 E383 V390 | P376-R379 HydrophobicContact CB-CB 4.33Å; P376-R379 HydrophobicContact CB-CG 4.4Å; P376-R379 PolarHBondContact O-N 2.77Å; R379-D381 VanDerWaalsContact C-N 3.3Å; R379-D381 PolarHBondContact O-N 3.41Å; R379-E382 IonicContact CZ-OE1 3.81Å; R379-E382 IonicContact CZ-OE2 2.75Å; R379-E382 VanDerWaalsContact CZ-OE2 3.24Å; R379-E382 IonicContact NE-OE2 3.48Å; R379-E382 PolarHBondContact NE-OE2 3.47Å; R379-E382 IonicContact NH2-OE1 2.79Å; R379-E382 PolarHBondContact NH2-OE1 3.03Å; R379-E382 IonicContact NH2-OE2 3.94Å; R379-E382 PolarHBondContact NH2-OE2 2.91Å; R379-E382 WeakPolarHBondContact O-CB 3.49Å; R379-E382 PolarHBondContact O-N 2.86Å; R379-E382 VanDerWaalsContact O-N 3.1Å; R379-E383 PolarHBondContact O-N 3.03Å; R379-V390 HydrophobicContact CB-CG1 3.69Å; R379-V390 HydrophobicContact CB-CG2 4.29Å; R379-V390 HydrophobicContact CG-CG1 4.5Å |
| 380 | V | 94.6 | Very high | 95 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.8 | -40.9 | -178.8 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | P304 K305 I324 V375 P376 E382 E383 Y384 | P304-V380 HydrophobicContact CB-CG2 3.66Å; P304-V380 HydrophobicContact CG-CG2 3.83Å; K305-V380 HydrophobicContact CD-CG1 4.49Å; K305-V380 HydrophobicContact CG-CG1 4.43Å; I324-V380 HydrophobicContact CD1-CG1 4.05Å; I324-V380 HydrophobicContact CG2-CG1 4.12Å; V375-V380 HydrophobicContact CG1-CG2 4.31Å; P376-V380 PolarHBondContact O-N 3.04Å; V380-E382 PolarHBondContact O-N 3.12Å; V380-E383 PolarHBondContact O-N 3.29Å; V380-Y384 HydrophobicContact CG1-CD2 4.09Å; V380-Y384 HydrophobicContact CG1-CE1 4.29Å; V380-Y384 HydrophobicContact CG1-CE2 3.64Å; V380-Y384 PolarHBondContact O-N 3.19Å |
| 381 | D | 95.3 | Very high | 95 | Very high | 101 Ų | 101 | 54.8 Ų | 54.8 | 54% | 0.54 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.9 | -12.7 | -177.2 | -57.2 | -16.3 | 0 | 0 | 0 | 112.3 | K305 R379 Q385 | K305-D381 IonicContact NZ-OD1 2.58Å; K305-D381 PolarHBondContact NZ-OD1 3.4Å; R379-D381 VanDerWaalsContact C-N 3.3Å; R379-D381 PolarHBondContact O-N 3.41Å; D381-Q385 WeakPolarHBondContact O-CG 3.49Å; D381-Q385 PolarHBondContact O-NE2 3.34Å |
| 382 | E | 95.3 | Very high | 95 | Very high | 77 Ų | 77 | 55.2 Ų | 55.2 | 36% | 0.36 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -81.6 | -44.6 | 170.3 | -173.3 | -175.5 | 173.6 | 0 | 0 | 110.9 | R379 V380 Y384 Q385 N386 V390 | R379-E382 IonicContact CZ-OE1 3.81Å; R379-E382 IonicContact CZ-OE2 2.75Å; R379-E382 VanDerWaalsContact CZ-OE2 3.24Å; R379-E382 IonicContact NE-OE2 3.48Å; R379-E382 PolarHBondContact NE-OE2 3.47Å; R379-E382 IonicContact NH2-OE1 2.79Å; R379-E382 PolarHBondContact NH2-OE1 3.03Å; R379-E382 IonicContact NH2-OE2 3.94Å; R379-E382 PolarHBondContact NH2-OE2 2.91Å; R379-E382 WeakPolarHBondContact O-CB 3.49Å; R379-E382 PolarHBondContact O-N 2.86Å; R379-E382 VanDerWaalsContact O-N 3.1Å; V380-E382 PolarHBondContact O-N 3.12Å; E382-Y384 PolarHBondContact O-N 3.38Å; E382-Q385 WeakPolarHBondContact O-CB 3.46Å; E382-Q385 PolarHBondContact O-N 2.7Å; E382-N386 PolarHBondContact O-N 3.46Å; E382-V390 HydrophobicContact CB-CG2 3.96Å; E382-V390 HydrophobicContact CG-CG2 3.93Å |
| 383 | E | 94.9 | Very high | 95 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -37 | 176.2 | -172.4 | 75.1 | 160.5 | 0 | 0 | 111.7 | I324 V375 R379 V380 Q385 N386 P387 H388 T389 V390 R392 | I324-E383 HydrophobicContact CG2-CB 4.43Å; I324-E383 HydrophobicContact CG2-CG 4.12Å; V375-E383 HydrophobicContact CG1-CB 4.21Å; V375-E383 HydrophobicContact CG2-CG 4.23Å; R379-E383 PolarHBondContact O-N 3.03Å; V380-E383 PolarHBondContact O-N 3.29Å; E383-Q385 VanDerWaalsContact C-N 3.26Å; E383-Q385 PolarHBondContact O-N 3.49Å; E383-N386 CarbonylContact O-C 3.52Å; E383-N386 PolarHBondContact O-N 2.86Å; E383-P387 VanDerWaalsContact O-CA 3.27Å; E383-P387 WeakPolarHBondContact O-CA 3.28Å; E383-P387 WeakPolarHBondContact O-CD 3.39Å; E383-H388 WeakPolarHBondContact OE1-CA 3.45Å; E383-H388 PolarHBondContact OE1-N 3.27Å; E383-H388 PolarHBondContact OE2-N 3.04Å; E383-T389 PolarHBondContact OE2-N 3.3Å; E383-V390 HydrophobicContact CB-CB 4.19Å; E383-V390 HydrophobicContact CB-CG2 3.81Å; E383-V390 WeakPolarHBondContact OE2-CB 3.48Å; E383-V390 PolarHBondContact OE2-N 3.14Å; E383-R392 IonicContact OE1-NH2 2.83Å |
| 384 | Y | 94.4 | Very high | 94.9 | Very high | 77 Ų | 77 | 60.6 Ų | 60.6 | 30% | 0.302 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -29.8 | 171.6 | -70.7 | -36.2 | 0 | 0 | 0 | 113.7 | L320 I324 V380 E382 | L320-Y384 PolarHBondContact O-OH 3.49Å; I324-Y384 HydrophobicContact CD1-CE1 4.16Å; I324-Y384 HydrophobicContact CG1-CE1 4.25Å; I324-Y384 HydrophobicContact CG2-CD1 3.78Å; I324-Y384 HydrophobicContact CG2-CE1 3.56Å; V380-Y384 HydrophobicContact CG1-CD2 4.09Å; V380-Y384 HydrophobicContact CG1-CE1 4.29Å; V380-Y384 HydrophobicContact CG1-CE2 3.64Å; V380-Y384 PolarHBondContact O-N 3.19Å; E382-Y384 PolarHBondContact O-N 3.38Å |
| 385 | Q | 94.4 | Very high | 94.7 | Very high | 147 Ų | 147 | 65.1 Ų | 65.1 | 69% | 0.687 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -35.7 | 177.7 | -72.8 | 172.2 | 64.2 | 0 | 0 | 111.4 | D381 E382 E383 | D381-Q385 WeakPolarHBondContact O-CG 3.49Å; D381-Q385 PolarHBondContact O-NE2 3.34Å; E382-Q385 WeakPolarHBondContact O-CB 3.46Å; E382-Q385 PolarHBondContact O-N 2.7Å; E383-Q385 VanDerWaalsContact C-N 3.26Å; E383-Q385 PolarHBondContact O-N 3.49Å |
| 386 | N | 93.3 | Very high | 94.4 | Very high | 91 Ų | 91 | 67 Ų | 67 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -138.8 | 85.4 | -178.9 | -54 | -90.8 | 0 | 0 | 0 | 109.5 | E382 E383 T389 | E382-N386 PolarHBondContact O-N 3.46Å; E383-N386 CarbonylContact O-C 3.52Å; E383-N386 PolarHBondContact O-N 2.86Å; N386-T389 HydrophobicContact CB-CG2 3.8Å; N386-T389 WeakPolarHBondContact O-CB 3.38Å; N386-T389 WeakPolarHBondContact O-CG2 3.25Å; N386-T389 PolarHBondContact O-N 2.93Å; N386-T389 PolarHBondContact O-OG1 3.45Å |
| 387 | P | 91.8 | Very high | 94.1 | Very high | 53 Ų | 53 | 67.5 Ų | 67.5 | 34% | 0.344 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 143.9 | -178 | -33.2 | 39.2 | 0 | 0 | 0 | 114.6 | N323 E383 T389 | N323-P387 HydrophobicContact CB-CB 4.06Å; N323-P387 HydrophobicContact CB-CG 4.04Å; E383-P387 VanDerWaalsContact O-CA 3.27Å; E383-P387 WeakPolarHBondContact O-CA 3.28Å; E383-P387 WeakPolarHBondContact O-CD 3.39Å; P387-T389 PolarHBondContact O-N 3.44Å |
| 388 | H | 89.4 | Confident | 94 | Very high | 87 Ų | 87 | 66.9 Ų | 66.9 | 40% | 0.403 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 13.9 | -179.8 | -44.6 | -76.4 | 0 | 0 | 0 | 115.5 | R290 E383 | R290-H388 PolarHBondContact NE-O 2.86Å; E383-H388 WeakPolarHBondContact OE1-CA 3.45Å; E383-H388 PolarHBondContact OE1-N 3.27Å; E383-H388 PolarHBondContact OE2-N 3.04Å |
| 389 | T | 93.4 | Very high | 93.8 | Very high | 74 Ų | 74 | 61.3 Ų | 61.3 | 45% | 0.454 | 32% | 0.324 | S | S | . | . | trans | -96.7 | -25.3 | -178.1 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | R290 E383 N386 P387 | R290-T389 PolarHBondContact NH2-O 2.83Å; E383-T389 PolarHBondContact OE2-N 3.3Å; N386-T389 HydrophobicContact CB-CG2 3.8Å; N386-T389 WeakPolarHBondContact O-CB 3.38Å; N386-T389 WeakPolarHBondContact O-CG2 3.25Å; N386-T389 PolarHBondContact O-N 2.93Å; N386-T389 PolarHBondContact O-OG1 3.45Å; P387-T389 PolarHBondContact O-N 3.44Å | ||
| 390 | V | 95.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -79.1 | 133.2 | -179.6 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | R290 V375 P376 R379 E382 E383 | R290-V390 PolarHBondContact NH2-O 3.38Å; V375-V390 HydrophobicContact CG1-CB 4.43Å; V375-V390 HydrophobicContact CG1-CG1 3.98Å; P376-V390 HydrophobicContact CG-CG1 4.34Å; R379-V390 HydrophobicContact CB-CG1 3.69Å; R379-V390 HydrophobicContact CB-CG2 4.29Å; R379-V390 HydrophobicContact CG-CG1 4.5Å; E382-V390 HydrophobicContact CB-CG2 3.96Å; E382-V390 HydrophobicContact CG-CG2 3.93Å; E383-V390 HydrophobicContact CB-CB 4.19Å; E383-V390 HydrophobicContact CB-CG2 3.81Å; E383-V390 WeakPolarHBondContact OE2-CB 3.48Å; E383-V390 PolarHBondContact OE2-N 3.14Å |
| 391 | D | 96 | Very high | 93.8 | Very high | 87 Ų | 87 | 58.1 Ų | 58.1 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 130.1 | 175.4 | -69.2 | -32.3 | 0 | 0 | 0 | 111.1 | R290 Y291 P376 | R290-D391 IonicContact CZ-OD1 2.9Å; R290-D391 VanDerWaalsContact CZ-OD1 3.28Å; R290-D391 IonicContact NH1-OD1 3.68Å; R290-D391 PolarHBondContact NH1-OD1 3.37Å; R290-D391 IonicContact NH2-OD1 2.71Å; R290-D391 PolarHBondContact NH2-OD1 2.97Å; Y291-D391 WeakPolarHBondContact OH-CA 3.35Å; Y291-D391 WeakPolarHBondContact OH-CB 3.48Å; Y291-D391 PolarHBondContact OH-OD1 2.98Å; P376-D391 VanDerWaalsContact CD-O 3.31Å; P376-D391 WeakPolarHBondContact CD-O 3.45Å; P376-D391 WeakPolarHBondContact CG-O 3.27Å |
| 392 | R | 96.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -93.8 | 150.6 | -171.3 | -64 | 175.9 | 172.4 | -105.1 | -1.9 | 112.2 | Y291 E325 E327 Y373 S374 E383 | Y291-R392 HydrophobicContact CD2-CB 3.96Å; Y291-R392 HydrophobicContact CD2-CG 4.08Å; Y291-R392 HydrophobicContact CE2-CB 3.74Å; Y291-R392 HydrophobicContact CE2-CG 3.91Å; Y291-R392 HydrophobicContact CG-CB 4.44Å; Y291-R392 PolarHBondContact OH-N 3.32Å; Y291-R392 VanDerWaalsContact OH-N 3.12Å; E325-R392 PolarHBondContact O-NH1 3.36Å; E325-R392 PolarHBondContact O-NH2 2.87Å; E327-R392 IonicContact OE1-CZ 2.64Å; E327-R392 VanDerWaalsContact OE1-CZ 3.31Å; E327-R392 IonicContact OE1-NE 3.69Å; E327-R392 PolarHBondContact OE1-NE 2.95Å; E327-R392 IonicContact OE1-NH2 3.47Å; Y373-R392 HydrophobicContact CD1-CB 4.24Å; Y373-R392 PolarHBondContact O-NH1 3.44Å; S374-R392 CarbonylContact O-C 3.57Å; S374-R392 WeakPolarHBondContact O-CA 3.3Å; S374-R392 WeakPolarHBondContact O-CB 3.36Å; E383-R392 IonicContact OE1-NH2 2.83Å |
| 393 | V | 96.3 | Very high | 93.8 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 40% | 0.4 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 140.2 | 176.9 | -70 | 0 | 0 | 0 | 0 | 111.4 | Y373 S374 P376 M395 | Y373-V393 WeakPolarHBondContact CA-O 3.42Å; S374-V393 PolarHBondContact N-O 3.48Å; S374-V393 WeakPolarHBondContact O-CG2 3.38Å; S374-V393 PolarHBondContact O-N 2.84Å; P376-V393 HydrophobicContact CG-CG1 4.41Å; V393-M395 HydrophobicContact CG2-CG 4.42Å |
| 394 | P | 95.9 | Very high | 93.9 | Very high | 60 Ų | 60 | 50.1 Ų | 50.1 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 133 | 177.4 | 28.3 | -33 | 0 | 0 | 0 | 110.5 | I360 P370 L372 Y373 | I360-P394 HydrophobicContact CD1-CB 3.57Å; I360-P394 HydrophobicContact CD1-CG 3.76Å; P370-P394 HydrophobicContact CB-CB 4.17Å; P370-P394 HydrophobicContact CG-CB 4.32Å; L372-P394 WeakPolarHBondContact O-CA 3.43Å; Y373-P394 HydrophobicContact CD1-CB 4.28Å; Y373-P394 HydrophobicContact CE1-CB 3.75Å; Y373-P394 HydrophobicContact CE1-CG 4.21Å |
| 395 | M | 93.3 | Very high | 94 | Very high | 99 Ų | 99 | 46.5 Ų | 46.5 | 49% | 0.488 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 157.8 | -176.7 | -78.9 | -71.3 | -78.3 | 0 | 0 | 111.1 | L372 V393 | L372-M395 HydrophobicContact CD1-CB 3.72Å; L372-M395 PolarHBondContact N-O 2.87Å; L372-M395 PolarHBondContact O-N 2.8Å; V393-M395 HydrophobicContact CG2-CG 4.42Å |
| 396 | G | 90.4 | Very high | 94.2 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 43% | 0.433 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 86.7 | -149.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E371 | E371-G396 WeakPolarHBondContact OE2-CA 3.42Š|
| 397 | K | 91.3 | Very high | 94.4 | Very high | 25 Ų | 25 | 36.4 Ų | 36.4 | 11% | 0.109 | 21% | 0.207 | C | C | . | . | trans | -65.5 | 133 | -174.3 | -61.4 | 168.9 | 178.6 | 178.7 | 0 | 111.2 | E39 P370 E371 H400 | E39-K397 WeakPolarHBondContact OE1-CE 3.5Å; E39-K397 IonicContact OE1-NZ 2.75Å; E39-K397 WeakPolarHBondContact OE2-CE 3.44Å; E39-K397 IonicContact OE2-NZ 2.74Å; E39-K397 PolarHBondContact OE2-NZ 2.78Å; P370-K397 CarbonylContact C-O 3.58Å; E371-K397 HydrophobicContact CB-CB 4.11Å; E371-K397 PolarHBondContact N-O 2.61Å; E371-K397 PolarHBondContact OE2-N 3.34Å; K397-H400 HydrophobicContact CB-CB 4.38Å | ||
| 398 | L | 91.6 | Very high | 94.7 | Very high | 86 Ų | 86 | 33.9 Ų | 33.9 | 45% | 0.45 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -144.6 | 113.3 | 178.2 | -176.3 | 65 | 0 | 0 | 0 | 111.4 | I360 L368 P370 | I360-L398 HydrophobicContact CB-CD1 4.32Å; I360-L398 HydrophobicContact CD1-CD1 3.91Å; I360-L398 HydrophobicContact CD1-CD2 3.97Å; I360-L398 HydrophobicContact CG2-CD2 4.23Å; L368-L398 HydrophobicContact CB-CD1 3.65Å; L368-L398 HydrophobicContact CB-CG 4.35Å; L368-L398 HydrophobicContact CD1-CG 4.35Å; P370-L398 HydrophobicContact CB-CD1 4.15Å |
| 399 | P | 92.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 29.8 Ų | 29.8 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | S | Bend | cis | -66.3 | 146.2 | -10.1 | 29.9 | -34.3 | 0 | 0 | 0 | 111.9 | L368 L369 M401 Q404 | L368-P399 HydrophobicContact CB-CB 4.48Å; L368-P399 HydrophobicContact CD2-CB 4.14Å; L368-P399 HydrophobicContact CD2-CG 4.23Å; L369-P399 CarbonylContact O-C 3.57Å; L369-P399 WeakPolarHBondContact O-CA 3.34Å; P399-M401 PolarHBondContact O-N 2.69Å; P399-Q404 HydrophobicContact CB-CB 4.22Å; P399-Q404 HydrophobicContact CB-CG 4.17Å |
| 400 | H | 94.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | trans | -77.5 | 100.9 | 164.3 | 174.4 | -139 | 0 | 0 | 0 | 108.8 | L369 E371 K397 W402 G403 Q404 | L369-H400 PolarHBondContact O-N 2.71Å; E371-H400 HydrophobicContact CB-CB 4.17Å; K397-H400 HydrophobicContact CB-CB 4.38Å; H400-W402 VanDerWaalsContact C-N 3.34Å; H400-W402 PolarHBondContact O-N 2.93Å; H400-G403 PolarHBondContact O-N 3.39Å; H400-G403 VanDerWaalsContact O-N 3.13Å; H400-Q404 WeakPolarHBondContact O-CB 3.13Å; H400-Q404 PolarHBondContact O-N 2.91Å | ||
| 401 | M | 94.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.6 | -33.1 | -164.1 | -74.5 | 179.5 | -79.4 | 0 | 0 | 114.9 | H25 P34 S50 P399 S405 | H25-M401 HydrophobicContact CB-SD 4.33Å; P34-M401 WeakPolarHBondContact O-CE 3.46Å; S50-M401 VanDerWaalsContact OG-C 3.3Å; S50-M401 WeakPolarHBondContact OG-CB 3.34Å; P399-M401 PolarHBondContact O-N 2.69Å; M401-S405 VanDerWaalsContact O-CB 3.23Å; M401-S405 WeakPolarHBondContact O-CB 3.44Å; M401-S405 PolarHBondContact O-N 2.96Å |
| 402 | W | 94.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 22.8 Ų | 22.8 | 4% | 0.038 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.2 | -56.5 | 171.5 | 171.2 | 2.6 | 0 | 0 | 0 | 111 | R45 Y49 S50 I183 W184 L330 Y334 H400 S405 L406 | R45-W402 HydrophobicContact CG-CZ3 4.47Å; Y49-W402 AromaticContact CD1-CD1 3.86Å; Y49-W402 AromaticContact CD1-NE1 3.56Å; Y49-W402 AromaticContact CD2-CD1 3.98Å; Y49-W402 HydrophobicContact CD2-CD2 4Å; Y49-W402 AromaticContact CD2-CE2 3.56Å; Y49-W402 HydrophobicContact CD2-CG 4.26Å; Y49-W402 AromaticContact CD2-CZ2 3.95Å; Y49-W402 HydrophobicContact CD2-CZ2 3.95Å; Y49-W402 AromaticContact CD2-NE1 3.53Å; Y49-W402 AromaticContact CE1-NE1 3.92Å; Y49-W402 AromaticContact CE2-CE2 3.79Å; Y49-W402 AromaticContact CE2-CZ2 3.72Å; Y49-W402 HydrophobicContact CE2-CZ2 3.72Å; Y49-W402 AromaticContact CE2-NE1 3.88Å; Y49-W402 AromaticContact CG-CD1 3.48Å; Y49-W402 VanDerWaalsContact CG-CD1 3.48Å; Y49-W402 HydrophobicContact CG-CD2 4.26Å; Y49-W402 AromaticContact CG-CE2 3.88Å; Y49-W402 HydrophobicContact CG-CG 4.04Å; Y49-W402 AromaticContact CG-NE1 3.35Å; S50-W402 PolarHBondContact OG-N 3.18Å; I183-W402 HydrophobicContact CD1-CH2 3.81Å; I183-W402 HydrophobicContact CD1-CZ2 4.3Å; I183-W402 HydrophobicContact CG1-CH2 4.11Å; W184-W402 HydrophobicContact CZ3-CH2 4.45Å; W184-W402 HydrophobicContact CZ3-CZ3 4.47Å; L330-W402 HydrophobicContact CD1-CD2 4.34Å; L330-W402 HydrophobicContact CD1-CG 4.15Å; L330-W402 HydrophobicContact CD2-CD2 4.27Å; L330-W402 HydrophobicContact CD2-CE3 4.5Å; L330-W402 HydrophobicContact CD2-CH2 4.28Å; L330-W402 HydrophobicContact CD2-CZ2 4.04Å; Y334-W402 HydrophobicContact CE2-CZ2 4.49Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.38Å; Y334-W402 PolarHBondContact OH-NE1 3.16Å; Y334-W402 VanDerWaalsContact OH-NE1 3.15Å; H400-W402 VanDerWaalsContact C-N 3.34Å; H400-W402 PolarHBondContact O-N 2.93Å; W402-S405 WeakPolarHBondContact O-CB 3.31Å; W402-S405 PolarHBondContact O-N 3.39Å; W402-L406 PolarHBondContact O-N 3.48Å |
| 403 | G | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68 | -36 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L369 H400 S405 L406 Y407 | L369-G403 VanDerWaalsContact CD2-C 3.43Å; H400-G403 PolarHBondContact O-N 3.39Å; H400-G403 VanDerWaalsContact O-N 3.13Å; G403-S405 VanDerWaalsContact C-N 3.28Å; G403-S405 PolarHBondContact O-N 3.31Å; G403-L406 PolarHBondContact O-N 2.96Å; G403-Y407 VanDerWaalsContact O-CB 3.31Å; G403-Y407 WeakPolarHBondContact O-CB 3.36Å; G403-Y407 PolarHBondContact O-N 3.41Å |
| 404 | Q | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.8 | -39.6 | 172.1 | -172.2 | 74.4 | 25.5 | 0 | 0 | 111.4 | P367 P399 H400 I408 | P367-Q404 PolarHBondContact O-NE2 3.41Å; P399-Q404 HydrophobicContact CB-CB 4.22Å; P399-Q404 HydrophobicContact CB-CG 4.17Å; H400-Q404 WeakPolarHBondContact O-CB 3.13Å; H400-Q404 PolarHBondContact O-N 2.91Å; Q404-I408 HydrophobicContact CG-CD1 4.19Å; Q404-I408 WeakPolarHBondContact O-CD1 3.23Å; Q404-I408 VanDerWaalsContact O-CG1 3.24Å; Q404-I408 WeakPolarHBondContact O-CG1 3.17Å; Q404-I408 PolarHBondContact O-N 3.19Å |
| 405 | S | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.6 | -48.7 | 176.7 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | Y49 S50 A53 M401 W402 G403 Y407 I408 L409 | Y49-S405 VanDerWaalsContact O-CB 3.23Å; Y49-S405 WeakPolarHBondContact O-CB 3.37Å; Y49-S405 PolarHBondContact O-OG 3.21Å; S50-S405 PolarHBondContact O-OG 2.96Å; A53-S405 WeakPolarHBondContact CB-OG 3.45Å; A53-S405 PolarHBondContact N-OG 2.9Å; M401-S405 VanDerWaalsContact O-CB 3.23Å; M401-S405 WeakPolarHBondContact O-CB 3.44Å; M401-S405 PolarHBondContact O-N 2.96Å; W402-S405 WeakPolarHBondContact O-CB 3.31Å; W402-S405 PolarHBondContact O-N 3.39Å; G403-S405 VanDerWaalsContact C-N 3.28Å; G403-S405 PolarHBondContact O-N 3.31Å; S405-Y407 VanDerWaalsContact C-N 3.33Å; S405-Y407 PolarHBondContact O-N 2.92Å; S405-I408 PolarHBondContact O-N 2.98Å; S405-I408 VanDerWaalsContact O-N 3.16Å; S405-L409 WeakPolarHBondContact O-CB 3.46Å; S405-L409 PolarHBondContact O-N 2.89Å |
| 406 | L | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.2 | -36.1 | 177.3 | -65.4 | -176.2 | 0 | 0 | 0 | 112.6 | Y49 L52 F265 L330 T333 Y334 L337 W402 G403 L409 G410 | Y49-L406 HydrophobicContact CD1-CD1 4.45Å; Y49-L406 HydrophobicContact CD1-CD2 4.25Å; L52-L406 HydrophobicContact CD1-CD2 4.09Å; F265-L406 HydrophobicContact CE1-CD2 4.08Å; L330-L406 HydrophobicContact CD1-CD1 4.21Å; T333-L406 WeakPolarHBondContact OG1-CB 3.33Å; Y334-L406 HydrophobicContact CD2-CD1 4.08Å; Y334-L406 HydrophobicContact CE1-CD1 4.18Å; Y334-L406 HydrophobicContact CE2-CD1 3.5Å; Y334-L406 VanDerWaalsContact CE2-CD1 3.5Å; L337-L406 HydrophobicContact CD1-CB 4.21Å; L337-L406 HydrophobicContact CD1-CD2 3.95Å; L337-L406 HydrophobicContact CD1-CG 4.5Å; W402-L406 PolarHBondContact O-N 3.48Å; G403-L406 PolarHBondContact O-N 2.96Å; L406-L409 PolarHBondContact O-N 3Å; L406-G410 PolarHBondContact O-N 3.38Å |
| 407 | Y | 97.6 | Very high | 95.2 | Very high | 26 Ų | 26 | 17.6 Ų | 17.6 | 10% | 0.102 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 170.3 | 168.4 | -110.1 | 0 | 0 | 0 | 112 | L355 L359 P367 G403 S405 N411 | L355-Y407 HydrophobicContact CD2-CD2 3.54Å; L355-Y407 HydrophobicContact CD2-CE2 4.14Å; L355-Y407 HydrophobicContact CD2-CG 4.48Å; L355-Y407 HydrophobicContact CG-CD2 4.43Å; L359-Y407 HydrophobicContact CD1-CD2 4.32Å; L359-Y407 HydrophobicContact CD1-CE1 4.16Å; L359-Y407 HydrophobicContact CD1-CE2 3.52Å; L359-Y407 VanDerWaalsContact CD1-CZ 3.43Å; L359-Y407 WeakPolarHBondContact CD1-OH 3.32Å; P367-Y407 HydrophobicContact CB-CE1 4.4Å; P367-Y407 HydrophobicContact CG-CE1 4.28Å; G403-Y407 VanDerWaalsContact O-CB 3.31Å; G403-Y407 WeakPolarHBondContact O-CB 3.36Å; G403-Y407 PolarHBondContact O-N 3.41Å; S405-Y407 VanDerWaalsContact C-N 3.33Å; S405-Y407 PolarHBondContact O-N 2.92Å; Y407-N411 WeakPolarHBondContact CD2-ND2 3.44Å; Y407-N411 WeakPolarHBondContact CE2-ND2 3.43Å; Y407-N411 WeakPolarHBondContact O-CB 3.26Å; Y407-N411 PolarHBondContact O-N 3Å; Y407-N411 VanDerWaalsContact O-N 3.07Å; Y407-N411 PolarHBondContact O-ND2 3.16Å |
| 408 | I | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 178.6 | -68.4 | 164.5 | 0 | 0 | 0 | 110.9 | Y14 L17 V18 I22 A53 Q404 S405 N411 L412 | Y14-I408 HydrophobicContact CD1-CG2 4.13Å; L17-I408 HydrophobicContact CD2-CD1 3.99Å; L17-I408 HydrophobicContact CD2-CG1 3.76Å; L17-I408 HydrophobicContact CG-CD1 3.88Å; L17-I408 HydrophobicContact CG-CG1 4.23Å; V18-I408 HydrophobicContact CG2-CD1 3.92Å; V18-I408 HydrophobicContact CG2-CG2 3.9Å; I22-I408 HydrophobicContact CD1-CD1 4.24Å; A53-I408 HydrophobicContact CB-CB 3.89Å; A53-I408 HydrophobicContact CB-CD1 4.43Å; A53-I408 HydrophobicContact CB-CG2 3.83Å; Q404-I408 HydrophobicContact CG-CD1 4.19Å; Q404-I408 WeakPolarHBondContact O-CD1 3.23Å; Q404-I408 VanDerWaalsContact O-CG1 3.24Å; Q404-I408 WeakPolarHBondContact O-CG1 3.17Å; Q404-I408 PolarHBondContact O-N 3.19Å; S405-I408 PolarHBondContact O-N 2.98Å; S405-I408 VanDerWaalsContact O-N 3.16Å; I408-N411 PolarHBondContact O-N 3.4Å; I408-L412 HydrophobicContact CG2-CD1 4.08Å; I408-L412 WeakPolarHBondContact O-CG 3.31Å; I408-L412 PolarHBondContact O-N 2.86Å |
| 409 | L | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.6 | -48.9 | 178.7 | -177.4 | 64.5 | 0 | 0 | 0 | 111.8 | L52 F265 L337 S405 L406 N411 L412 M413 L418 I423 | L52-L409 HydrophobicContact CB-CD2 4.19Å; F265-L409 HydrophobicContact CE1-CD2 4.26Å; F265-L409 HydrophobicContact CZ-CD2 4.1Å; L337-L409 HydrophobicContact CD2-CG 4.47Å; S405-L409 WeakPolarHBondContact O-CB 3.46Å; S405-L409 PolarHBondContact O-N 2.89Å; L406-L409 PolarHBondContact O-N 3Å; L409-N411 VanDerWaalsContact C-N 3.3Å; L409-N411 PolarHBondContact O-N 2.9Å; L409-L412 PolarHBondContact O-N 2.7Å; L409-L412 VanDerWaalsContact O-N 3.17Å; L409-M413 HydrophobicContact CD1-SD 4.36Å; L409-M413 HydrophobicContact CG-SD 4.17Å; L409-M413 WeakPolarHBondContact O-CG 3.23Å; L409-M413 PolarHBondContact O-N 3.13Å; L409-L418 HydrophobicContact CD1-CD1 3.96Å; L409-I423 HydrophobicContact CD1-CD1 3.86Å; L409-I423 HydrophobicContact CD1-CG1 4.14Å; L409-I423 HydrophobicContact CD2-CG2 4.38Å |
| 410 | G | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.4 | -39.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I340 L406 A414 | I340-G410 WeakPolarHBondContact CD1-O 3.35Å; L406-G410 PolarHBondContact O-N 3.38Å; G410-A414 VanDerWaalsContact O-CB 3.22Å; G410-A414 WeakPolarHBondContact O-CB 3.35Å; G410-A414 PolarHBondContact O-N 3.38Å |
| 411 | N | 96.4 | Very high | 95.7 | Very high | 13 Ų | 13 | 16.7 Ų | 16.7 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.7 | -44.8 | 172.8 | -80 | -71.5 | 0 | 0 | 0 | 112.9 | Y14 R352 Y407 I408 L409 M413 A414 E415 | Y14-N411 HydrophobicContact CE1-CB 4.09Å; R352-N411 PolarHBondContact NE-OD1 2.96Å; R352-N411 PolarHBondContact NH2-OD1 3.14Å; Y407-N411 WeakPolarHBondContact CD2-ND2 3.44Å; Y407-N411 WeakPolarHBondContact CE2-ND2 3.43Å; Y407-N411 WeakPolarHBondContact O-CB 3.26Å; Y407-N411 PolarHBondContact O-N 3Å; Y407-N411 VanDerWaalsContact O-N 3.07Å; Y407-N411 PolarHBondContact O-ND2 3.16Å; I408-N411 PolarHBondContact O-N 3.4Å; L409-N411 VanDerWaalsContact C-N 3.3Å; L409-N411 PolarHBondContact O-N 2.9Å; N411-M413 PolarHBondContact O-N 2.95Å; N411-A414 PolarHBondContact O-N 2.82Å; N411-E415 WeakPolarHBondContact O-CB 3.4Å; N411-E415 VanDerWaalsContact O-CG 3.31Å; N411-E415 WeakPolarHBondContact O-CG 3.29Å; N411-E415 PolarHBondContact O-N 3.34Å |
| 412 | L | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.8 | -36.8 | 177.1 | -75.4 | 168.6 | 0 | 0 | 0 | 112.2 | L11 Y14 L57 I408 L409 F417 L418 | L11-L412 HydrophobicContact CD2-CD2 4.16Å; Y14-L412 HydrophobicContact CD1-CD2 4.41Å; Y14-L412 HydrophobicContact CD1-CG 4.49Å; Y14-L412 HydrophobicContact CD2-CD2 3.5Å; Y14-L412 HydrophobicContact CD2-CG 4.37Å; Y14-L412 HydrophobicContact CE2-CD2 3.91Å; Y14-L412 HydrophobicContact CG-CD2 3.8Å; Y14-L412 HydrophobicContact CG-CG 4.33Å; L57-L412 HydrophobicContact CB-CD1 4.18Å; L57-L412 HydrophobicContact CD1-CD1 4.34Å; L57-L412 HydrophobicContact CD1-CD2 4.27Å; I408-L412 HydrophobicContact CG2-CD1 4.08Å; I408-L412 WeakPolarHBondContact O-CG 3.31Å; I408-L412 PolarHBondContact O-N 2.86Å; L409-L412 PolarHBondContact O-N 2.7Å; L409-L412 VanDerWaalsContact O-N 3.17Å; L412-F417 HydrophobicContact CD2-CB 4.35Å; L412-F417 HydrophobicContact CD2-CD2 4.13Å; L412-F417 HydrophobicContact CD2-CG 4.4Å; L412-F417 WeakPolarHBondContact O-CB 3.21Å; L412-F417 PolarHBondContact O-N 3.33Å; L412-L418 HydrophobicContact CB-CD1 3.83Å; L412-L418 HydrophobicContact CB-CG 4.45Å; L412-L418 HydrophobicContact CD1-CD1 4.4Å; L412-L418 PolarHBondContact O-N 3.47Å |
| 413 | M | 96.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 4% | 0.044 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -75 | -47.3 | 175.5 | -64.7 | 175.5 | 78.1 | 0 | 0 | 112.2 | L337 I340 F341 L409 N411 E415 G416 L418 P420 I423 | L337-M413 HydrophobicContact CD2-SD 3.84Å; I340-M413 HydrophobicContact CD1-CB 4Å; I340-M413 HydrophobicContact CG2-CB 4.04Å; I340-M413 HydrophobicContact CG2-CE 3.96Å; F341-M413 HydrophobicContact CE2-CE 3.85Å; F341-M413 HydrophobicContact CZ-CE 3.84Å; L409-M413 HydrophobicContact CD1-SD 4.36Å; L409-M413 HydrophobicContact CG-SD 4.17Å; L409-M413 WeakPolarHBondContact O-CG 3.23Å; L409-M413 PolarHBondContact O-N 3.13Å; N411-M413 PolarHBondContact O-N 2.95Å; M413-E415 PolarHBondContact O-N 3.22Å; M413-G416 PolarHBondContact O-N 2.93Å; M413-L418 HydrophobicContact CB-CB 4.5Å; M413-L418 HydrophobicContact CG-CB 3.71Å; M413-L418 HydrophobicContact CG-CD1 4.14Å; M413-P420 HydrophobicContact CE-CG 4.48Å; M413-I423 HydrophobicContact CE-CB 4.32Å; M413-I423 HydrophobicContact CE-CG1 4.4Å; M413-I423 HydrophobicContact SD-CB 4.45Å; M413-I423 HydrophobicContact SD-CG1 4.14Å; M413-I423 HydrophobicContact SD-CG2 4.47Å |
| 414 | A | 95 | Very high | 95.8 | Very high | 36 Ų | 36 | 18.5 Ų | 18.5 | 30% | 0.298 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.3 | -24.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I340 V348 G410 N411 G416 | I340-A414 HydrophobicContact CD1-CB 3.97Å; I340-A414 HydrophobicContact CG1-CB 4.49Å; V348-A414 HydrophobicContact CG1-CB 4.15Å; G410-A414 VanDerWaalsContact O-CB 3.22Å; G410-A414 WeakPolarHBondContact O-CB 3.35Å; G410-A414 PolarHBondContact O-N 3.38Å; N411-A414 PolarHBondContact O-N 2.82Å; A414-G416 VanDerWaalsContact C-N 3.33Å |
| 415 | E | 92.8 | Very high | 95.7 | Very high | 54 Ų | 54 | 20 Ų | 20 | 25% | 0.252 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 2.2 | 172.9 | -65.2 | -170.2 | 174.3 | 0 | 0 | 113.7 | R10 Y14 R352 N411 M413 F417 | R10-E415 IonicContact CZ-OE1 3.75Å; R10-E415 IonicContact CZ-OE2 3.96Å; R10-E415 IonicContact NE-OE1 2.71Å; R10-E415 IonicContact NE-OE2 3.82Å; R10-E415 PolarHBondContact NE-OE2 2.59Å; R10-E415 IonicContact NH2-OE1 3.13Å; R10-E415 PolarHBondContact NH2-OE1 2.67Å; R10-E415 IonicContact NH2-OE2 2.7Å; R10-E415 PolarHBondContact NH2-OE2 2.99Å; Y14-E415 PolarHBondContact OH-OE1 2.94Å; Y14-E415 PolarHBondContact OH-OE2 2.75Å; R352-E415 IonicContact NH2-OE1 2.73Å; N411-E415 WeakPolarHBondContact O-CB 3.4Å; N411-E415 VanDerWaalsContact O-CG 3.31Å; N411-E415 WeakPolarHBondContact O-CG 3.29Å; N411-E415 PolarHBondContact O-N 3.34Å; M413-E415 PolarHBondContact O-N 3.22Å; E415-F417 VanDerWaalsContact C-N 3.33Å; E415-F417 HydrophobicContact CB-CD2 3.8Å; E415-F417 HydrophobicContact CB-CE2 3.8Å; E415-F417 PolarHBondContact O-N 3.05Å |
| 416 | G | 92.3 | Very high | 95.6 | Very high | 57 Ų | 57 | 22.7 Ų | 22.7 | 59% | 0.588 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 10.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | M413 A414 L418 | M413-G416 PolarHBondContact O-N 2.93Å; A414-G416 VanDerWaalsContact C-N 3.33Å; G416-L418 VanDerWaalsContact C-N 3.3Å |
| 417 | F | 93.9 | Very high | 95.4 | Very high | 16 Ų | 16 | 26.2 Ų | 26.2 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -66.4 | -37.9 | 171.6 | -66.8 | -76.8 | 0 | 0 | 0 | 111 | R10 L11 Y14 A60 K63 L412 E415 | R10-F417 HydrophobicContact CB-CE2 4.24Å; R10-F417 HydrophobicContact CB-CZ 3.77Å; L11-F417 HydrophobicContact CD1-CD1 4.04Å; L11-F417 HydrophobicContact CD1-CE1 3.99Å; L11-F417 HydrophobicContact CD2-CD1 3.64Å; L11-F417 HydrophobicContact CD2-CE1 3.89Å; L11-F417 HydrophobicContact CD2-CG 4Å; L11-F417 HydrophobicContact CD2-CZ 4.46Å; L11-F417 HydrophobicContact CG-CD1 3.84Å; L11-F417 HydrophobicContact CG-CE1 3.62Å; L11-F417 HydrophobicContact CG-CZ 4.26Å; Y14-F417 HydrophobicContact CE2-CE2 4.32Å; A60-F417 HydrophobicContact CB-CB 4.18Å; K63-F417 WeakPolarHBondContact CD-O 3.4Å; K63-F417 PolarHBondContact NZ-O 2.71Å; L412-F417 HydrophobicContact CD2-CB 4.35Å; L412-F417 HydrophobicContact CD2-CD2 4.13Å; L412-F417 HydrophobicContact CD2-CG 4.4Å; L412-F417 WeakPolarHBondContact O-CB 3.21Å; L412-F417 PolarHBondContact O-N 3.33Å; E415-F417 VanDerWaalsContact C-N 3.33Å; E415-F417 HydrophobicContact CB-CD2 3.8Å; E415-F417 HydrophobicContact CB-CE2 3.8Å; E415-F417 PolarHBondContact O-N 3.05Å |
| 418 | L | 95.2 | Very high | 95.2 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -117.8 | 141 | 178.8 | -66.2 | 168.2 | 0 | 0 | 0 | 110.7 | L59 A60 L409 L412 M413 G416 E422 I423 | L59-L418 HydrophobicContact CB-CD2 3.92Å; A60-L418 HydrophobicContact CB-CD2 4.11Å; A60-L418 HydrophobicContact CB-CG 4.22Å; L409-L418 HydrophobicContact CD1-CD1 3.96Å; L412-L418 HydrophobicContact CB-CD1 3.83Å; L412-L418 HydrophobicContact CB-CG 4.45Å; L412-L418 HydrophobicContact CD1-CD1 4.4Å; L412-L418 PolarHBondContact O-N 3.47Å; M413-L418 HydrophobicContact CB-CB 4.5Å; M413-L418 HydrophobicContact CG-CB 3.71Å; M413-L418 HydrophobicContact CG-CD1 4.14Å; G416-L418 VanDerWaalsContact C-N 3.3Å; L418-E422 WeakPolarHBondContact CA-OE2 3.48Å; L418-I423 HydrophobicContact CD1-CD1 4.1Å; L418-I423 HydrophobicContact CD1-CG1 4.19Å |
| 419 | A | 94.7 | Very high | 95 | Very high | 43 Ų | 43 | 28 Ų | 28 | 36% | 0.355 | 18% | 0.176 | S | C | . | . | trans | -97.9 | 153.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G421 E422 | A419-G421 VanDerWaalsContact C-N 3.26Å; A419-G421 PolarHBondContact O-N 3.35Å; A419-G421 VanDerWaalsContact O-N 3.15Å; A419-E422 PolarHBondContact N-OE2 3.29Å; A419-E422 PolarHBondContact O-N 3.13Å | ||
| 420 | P | 95.3 | Very high | 94.7 | Very high | 40 Ų | 40 | 33.2 Ų | 33.2 | 26% | 0.26 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -48.1 | -42.7 | 177.7 | -32.9 | 37.9 | 0 | 0 | 0 | 114.8 | I340 F341 M413 E422 I423 D424 | I340-P420 HydrophobicContact CG2-CG 4.4Å; F341-P420 HydrophobicContact CD1-CB 3.77Å; F341-P420 HydrophobicContact CE1-CB 3.68Å; M413-P420 HydrophobicContact CE-CG 4.48Å; P420-E422 VanDerWaalsContact C-N 3.26Å; P420-E422 PolarHBondContact O-N 3.02Å; P420-I423 PolarHBondContact O-N 2.96Å; P420-D424 PolarHBondContact O-N 3.21Å |
| 421 | G | 94.6 | Very high | 94.2 | Very high | 30 Ų | 30 | 34.5 Ų | 34.5 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -72.3 | -6.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | A419 P425 | A419-G421 VanDerWaalsContact C-N 3.26Å; A419-G421 PolarHBondContact O-N 3.35Å; A419-G421 VanDerWaalsContact O-N 3.15Å; G421-P425 WeakPolarHBondContact O-CA 3.48Å |
| 422 | E | 94.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 36.5 Ų | 36.5 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -88 | -21.6 | 172.2 | -66.7 | 171.4 | 125.4 | 0 | 0 | 111.9 | L59 K63 L418 A419 P420 | L59-E422 WeakPolarHBondContact CD1-O 3.44Å; K63-E422 WeakPolarHBondContact CD-OE1 3.19Å; K63-E422 WeakPolarHBondContact CE-OE1 3.29Å; K63-E422 WeakPolarHBondContact CE-OE2 3.45Å; K63-E422 IonicContact NZ-OE1 2.67Å; K63-E422 PolarHBondContact NZ-OE1 2.89Å; K63-E422 IonicContact NZ-OE2 3.41Å; K63-E422 PolarHBondContact NZ-OE2 2.67Å; L418-E422 WeakPolarHBondContact CA-OE2 3.48Å; A419-E422 PolarHBondContact N-OE2 3.29Å; A419-E422 PolarHBondContact O-N 3.13Å; P420-E422 VanDerWaalsContact C-N 3.26Å; P420-E422 PolarHBondContact O-N 3.02Å |
| 423 | I | 96 | Very high | 93.4 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -104 | -21.3 | 178.2 | -64.5 | -59.7 | 0 | 0 | 0 | 111.7 | W55 L59 F265 F341 L409 M413 L418 P420 | W55-I423 HydrophobicContact CE3-CD1 4.18Å; W55-I423 HydrophobicContact CH2-CD1 4.43Å; W55-I423 WeakPolarHBondContact CH2-O 3.4Å; W55-I423 HydrophobicContact CZ3-CD1 4.04Å; W55-I423 HydrophobicContact CZ3-CG2 4.22Å; L59-I423 HydrophobicContact CD1-CD1 3.95Å; F265-I423 HydrophobicContact CE2-CG2 3.62Å; F265-I423 HydrophobicContact CZ-CG2 3.97Å; F341-I423 HydrophobicContact CZ-CG2 4.42Å; L409-I423 HydrophobicContact CD1-CD1 3.86Å; L409-I423 HydrophobicContact CD1-CG1 4.14Å; L409-I423 HydrophobicContact CD2-CG2 4.38Å; M413-I423 HydrophobicContact CE-CB 4.32Å; M413-I423 HydrophobicContact CE-CG1 4.4Å; M413-I423 HydrophobicContact SD-CB 4.45Å; M413-I423 HydrophobicContact SD-CG1 4.14Å; M413-I423 HydrophobicContact SD-CG2 4.47Å; L418-I423 HydrophobicContact CD1-CD1 4.1Å; L418-I423 HydrophobicContact CD1-CG1 4.19Å; P420-I423 PolarHBondContact O-N 2.96Å |
| 424 | D | 96.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | trans | -122.6 | 67.4 | 166.9 | 173.6 | 39.4 | 0 | 0 | 0 | 110.5 | Q147 F341 P420 L426 N427 R428 R429 | Q147-D424 PolarHBondContact NE2-OD1 3.11Å; F341-D424 HydrophobicContact CE1-CB 3.95Å; F341-D424 HydrophobicContact CZ-CB 4.33Å; P420-D424 PolarHBondContact O-N 3.21Å; D424-L426 PolarHBondContact O-N 3.48Å; D424-N427 PolarHBondContact O-N 3.34Å; D424-N427 VanDerWaalsContact O-N 3.07Å; D424-N427 PolarHBondContact OD1-N 2.96Å; D424-N427 VanDerWaalsContact OD1-N 3.16Å; D424-N427 VanDerWaalsContact OD2-C 3.22Å; D424-N427 VanDerWaalsContact OD2-CA 3.29Å; D424-N427 WeakPolarHBondContact OD2-CA 3.37Å; D424-R428 VanDerWaalsContact CG-N 3.3Å; D424-R428 WeakPolarHBondContact OD1-CB 3.33Å; D424-R428 PolarHBondContact OD1-N 3.21Å; D424-R428 PolarHBondContact OD2-N 3.11Å; D424-R429 PolarHBondContact O-NH1 2.87Å; D424-R429 WeakPolarHBondContact OD2-CB 3.35Å; D424-R429 VanDerWaalsContact OD2-CG 3.27Å; D424-R429 WeakPolarHBondContact OD2-CG 3.47Å; D424-R429 IonicContact OD2-CZ 3.94Å; D424-R429 PolarHBondContact OD2-N 3.05Å; D424-R429 IonicContact OD2-NH1 3.72Å; D424-R429 PolarHBondContact OD2-NH1 3.34Å | ||
| 425 | P | 95.4 | Very high | 91.5 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 20% | 0.201 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -25.2 | 176.5 | 24.9 | -35.2 | 0 | 0 | 0 | 113.5 | Q147 A150 G421 N427 | Q147-P425 WeakPolarHBondContact O-CG 3.21Å; A150-P425 HydrophobicContact CB-CB 4.17Å; A150-P425 HydrophobicContact CB-CG 3.94Å; G421-P425 WeakPolarHBondContact O-CA 3.48Å; P425-N427 PolarHBondContact O-N 3.31Å; P425-N427 PolarHBondContact O-ND2 3.43Å |
| 426 | L | 94.7 | Very high | 90.9 | Very high | 57 Ų | 57 | 52.7 Ų | 52.7 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -0.4 | 173.9 | -63.2 | 176 | 0 | 0 | 0 | 113.7 | A146 Q147 A150 A211 D424 R428 | A146-L426 HydrophobicContact CB-CD1 3.89Å; Q147-L426 HydrophobicContact CG-CD1 4.28Å; A150-L426 HydrophobicContact CB-CD2 3.76Å; A150-L426 HydrophobicContact CB-CG 3.97Å; A211-L426 HydrophobicContact CB-CD1 3.78Å; A211-L426 WeakPolarHBondContact O-CD1 3.32Å; D424-L426 PolarHBondContact O-N 3.48Å; L426-R428 VanDerWaalsContact C-N 3.26Å; L426-R428 HydrophobicContact CB-CG 4.29Å; L426-R428 PolarHBondContact O-N 3.22Å |
| 427 | N | 94 | Very high | 90.4 | Very high | 75 Ų | 75 | 55 Ų | 55 | 40% | 0.401 | 31% | 0.313 | S | S | . | . | trans | 60.1 | 27.8 | 173.3 | -55.3 | -75.8 | 0 | 0 | 0 | 115.6 | D424 P425 R429 F430 | D424-N427 PolarHBondContact O-N 3.34Å; D424-N427 VanDerWaalsContact O-N 3.07Å; D424-N427 PolarHBondContact OD1-N 2.96Å; D424-N427 VanDerWaalsContact OD1-N 3.16Å; D424-N427 VanDerWaalsContact OD2-C 3.22Å; D424-N427 VanDerWaalsContact OD2-CA 3.29Å; D424-N427 WeakPolarHBondContact OD2-CA 3.37Å; P425-N427 PolarHBondContact O-N 3.31Å; P425-N427 PolarHBondContact O-ND2 3.43Å; N427-R429 PolarHBondContact O-N 3.45Å; N427-R429 PolarHBondContact OD1-NH1 3.12Å; N427-R429 PolarHBondContact OD1-NH2 3.49Å; N427-F430 HydrophobicContact CB-CD2 3.95Å; N427-F430 HydrophobicContact CB-CE2 4.29Å; N427-F430 PolarHBondContact O-N 3.01Å; N427-F430 VanDerWaalsContact O-N 3.15Å | ||
| 428 | R | 92.6 | Very high | 90.3 | Very high | 19 Ų | 19 | 55.1 Ų | 55.1 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -57.5 | -29.3 | 179.7 | -63.6 | -166.2 | 55.6 | 63.4 | 18.3 | 113.7 | A207 E210 A267 F268 D424 L426 F430 S431 | A207-R428 PolarHBondContact O-NH1 3.39Å; E210-R428 IonicContact OE2-CZ 3.1Å; E210-R428 VanDerWaalsContact OE2-CZ 3.28Å; E210-R428 IonicContact OE2-NH1 3.79Å; E210-R428 PolarHBondContact OE2-NH1 2.63Å; E210-R428 IonicContact OE2-NH2 3.3Å; E210-R428 PolarHBondContact OE2-NH2 2.87Å; A267-R428 VanDerWaalsContact O-CZ 3.24Å; A267-R428 PolarHBondContact O-NE 2.94Å; A267-R428 PolarHBondContact O-NH2 3.19Å; F268-R428 HydrophobicContact CB-CB 4.3Å; F268-R428 WeakPolarHBondContact CB-O 3.34Å; F268-R428 HydrophobicContact CD2-CB 3.99Å; D424-R428 VanDerWaalsContact CG-N 3.3Å; D424-R428 WeakPolarHBondContact OD1-CB 3.33Å; D424-R428 PolarHBondContact OD1-N 3.21Å; D424-R428 PolarHBondContact OD2-N 3.11Å; L426-R428 VanDerWaalsContact C-N 3.26Å; L426-R428 HydrophobicContact CB-CG 4.29Å; L426-R428 PolarHBondContact O-N 3.22Å; R428-F430 PolarHBondContact O-N 2.99Å; R428-S431 WeakPolarHBondContact O-CB 3.14Å; R428-S431 PolarHBondContact O-N 2.96Å; R428-S431 PolarHBondContact O-OG 3.34Å |
| 429 | R | 93.1 | Very high | 90.3 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -56.3 | -15.1 | 175.9 | 72.3 | -169.8 | 171.6 | -82.8 | -4.2 | 115 | F268 F341 D424 N427 | F268-R429 HydrophobicContact CD1-CB 4.19Å; F268-R429 HydrophobicContact CD2-CB 4.3Å; F268-R429 HydrophobicContact CE1-CB 3.98Å; F268-R429 HydrophobicContact CE2-CB 4.08Å; F268-R429 HydrophobicContact CG-CB 4.34Å; F268-R429 HydrophobicContact CZ-CB 3.92Å; F341-R429 HydrophobicContact CD1-CB 3.99Å; F341-R429 HydrophobicContact CD1-CG 4.49Å; F341-R429 HydrophobicContact CE1-CB 4.46Å; D424-R429 PolarHBondContact O-NH1 2.87Å; D424-R429 WeakPolarHBondContact OD2-CB 3.35Å; D424-R429 VanDerWaalsContact OD2-CG 3.27Å; D424-R429 WeakPolarHBondContact OD2-CG 3.47Å; D424-R429 IonicContact OD2-CZ 3.94Å; D424-R429 PolarHBondContact OD2-N 3.05Å; D424-R429 IonicContact OD2-NH1 3.72Å; D424-R429 PolarHBondContact OD2-NH1 3.34Å; N427-R429 PolarHBondContact O-N 3.45Å; N427-R429 PolarHBondContact OD1-NH1 3.12Å; N427-R429 PolarHBondContact OD1-NH2 3.49Å |
| 430 | F | 91.9 | Very high | 90.4 | Very high | 111 Ų | 111 | 54.5 Ų | 54.5 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -95.1 | 12.9 | 177.4 | -58.9 | -44.3 | 0 | 0 | 0 | 113.8 | N427 R428 T432 V433 | N427-F430 HydrophobicContact CB-CD2 3.95Å; N427-F430 HydrophobicContact CB-CE2 4.29Å; N427-F430 PolarHBondContact O-N 3.01Å; N427-F430 VanDerWaalsContact O-N 3.15Å; R428-F430 PolarHBondContact O-N 2.99Å; F430-T432 PolarHBondContact O-N 2.62Å; F430-V433 HydrophobicContact CB-CB 4.45Å; F430-V433 HydrophobicContact CB-CG2 3.8Å; F430-V433 HydrophobicContact CD1-CG2 4.06Å; F430-V433 HydrophobicContact CG-CG2 4.29Å; F430-V433 WeakPolarHBondContact O-CB 3.21Å; F430-V433 WeakPolarHBondContact O-CG2 3.34Å; F430-V433 PolarHBondContact O-N 3.01Å |
| 431 | S | 87.4 | Confident | 90.4 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29 | 177.5 | 54.5 | 0 | 0 | 0 | 0 | 114.3 | F268 R428 | F268-S431 VanDerWaalsContact O-CB 3.28Å; F268-S431 WeakPolarHBondContact O-CB 3.5Å; F268-S431 PolarHBondContact O-OG 3.36Å; R428-S431 WeakPolarHBondContact O-CB 3.14Å; R428-S431 PolarHBondContact O-N 2.96Å; R428-S431 PolarHBondContact O-OG 3.34Å |
| 432 | T | 88 | Confident | 90.6 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -1.1 | 176.4 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | V270 E271 V276 F430 | V270-T432 VanDerWaalsContact O-CG2 3.32Å; V270-T432 WeakPolarHBondContact O-CG2 3.28Å; E271-T432 WeakPolarHBondContact O-CA 3.41Å; V276-T432 HydrophobicContact CG2-CG2 4.26Å; F430-T432 PolarHBondContact O-N 2.62Å |
| 433 | V | 86.9 | Confident | 90.6 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 49% | 0.485 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -75.1 | 126.4 | 177.9 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | F430 K435 | F430-V433 HydrophobicContact CB-CB 4.45Å; F430-V433 HydrophobicContact CB-CG2 3.8Å; F430-V433 HydrophobicContact CD1-CG2 4.06Å; F430-V433 HydrophobicContact CG-CG2 4.29Å; F430-V433 WeakPolarHBondContact O-CB 3.21Å; F430-V433 WeakPolarHBondContact O-CG2 3.34Å; F430-V433 PolarHBondContact O-N 3.01Å; V433-K435 PolarHBondContact O-N 2.9Å; V433-K435 VanDerWaalsContact O-N 3.15Å |
| 434 | P | 78.3 | Confident | 90.7 | Very high | 123 Ų | 123 | 49.4 Ų | 49.4 | 80% | 0.799 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 120.1 | 178.6 | -27.6 | 35.9 | 0 | 0 | 0 | 112.4 | ||
| 435 | K | 74.7 | Confident | 90.6 | Very high | 118 Ų | 118 | 49.3 Ų | 49.3 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 153.6 | 173.9 | -67.1 | -164.9 | -178.4 | -179.1 | 0 | 110.6 | V433 R555 | V433-K435 PolarHBondContact O-N 2.9Å; V433-K435 VanDerWaalsContact O-N 3.15Å; K435-R555 PolarHBondContact NZ-O 2.81Å |
| 436 | P | 79.1 | Confident | 90.5 | Very high | 118 Ų | 118 | 47.9 Ų | 47.9 | 77% | 0.766 | 26% | 0.262 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 159.1 | 179.6 | 27.6 | -36.4 | 0 | 0 | 0 | 112.7 | V438 | P436-V438 PolarHBondContact O-N 2.86Š|
| 437 | D | 82.6 | Confident | 90.1 | Very high | 105 Ų | 105 | 47.3 Ų | 47.3 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 124.6 | 175.8 | -72.1 | -34.6 | 0 | 0 | 0 | 111.8 | R598 | D437-R598 VanDerWaalsContact CG-NH1 3.32Å; D437-R598 VanDerWaalsContact CG-NH2 3.35Å; D437-R598 IonicContact OD1-NH2 2.95Å; D437-R598 IonicContact OD2-CZ 2.72Å; D437-R598 IonicContact OD2-NH1 3.12Å; D437-R598 PolarHBondContact OD2-NH1 2.84Å; D437-R598 IonicContact OD2-NH2 2.77Å; D437-R598 PolarHBondContact OD2-NH2 3.5Å |
| 438 | V | 91.5 | Very high | 89.8 | Confident | 19 Ų | 19 | 46 Ų | 46 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 139.1 | 173.6 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | P436 V440 W554 P560 | P436-V438 PolarHBondContact O-N 2.86Å; V438-V440 HydrophobicContact CG1-CG2 4.45Å; V438-W554 HydrophobicContact CG1-CB 4.09Å; V438-W554 HydrophobicContact CG1-CG 4.5Å; V438-W554 HydrophobicContact CG2-CB 4.11Å; V438-P560 HydrophobicContact CG1-CG 3.68Å |
| 439 | V | 94.6 | Very high | 89.7 | Confident | 36 Ų | 36 | 49.5 Ų | 49.5 | 22% | 0.218 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 113 | 172 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | Q441 Q559 R598 Q600 | V439-Q441 PolarHBondContact O-N 2.98Å; V439-Q559 PolarHBondContact O-OE1 3.42Å; V439-Q559 VanDerWaalsContact O-OE1 3.13Å; V439-R598 HydrophobicContact CG2-CB 4.3Å; V439-Q600 HydrophobicContact CG1-CB 3.96Å |
| 440 | V | 96.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 120.6 | -176.8 | -167.1 | 0 | 0 | 0 | 0 | 109.7 | V438 V442 L547 L550 C551 P560 I562 A597 R598 I599 Q600 | V438-V440 HydrophobicContact CG1-CG2 4.45Å; V440-V442 HydrophobicContact CG1-CG2 4.43Å; V440-L547 HydrophobicContact CB-CD2 3.95Å; V440-L547 HydrophobicContact CG1-CD2 3.64Å; V440-L547 HydrophobicContact CG2-CD2 4.44Å; V440-L550 HydrophobicContact CG1-CD1 4.03Å; V440-L550 HydrophobicContact CG2-CB 4.06Å; V440-C551 HydrophobicContact CG2-CB 4.31Å; V440-P560 HydrophobicContact CB-CG 4.32Å; V440-P560 HydrophobicContact CG1-CB 4.31Å; V440-P560 HydrophobicContact CG1-CG 4.1Å; V440-P560 HydrophobicContact CG2-CG 4.04Å; V440-I562 HydrophobicContact CG1-CD1 4.03Å; V440-I562 HydrophobicContact CG1-CG1 4.12Å; V440-A597 HydrophobicContact CG2-CB 4.14Å; V440-R598 PolarHBondContact N-O 3.15Å; V440-I599 VanDerWaalsContact O-CA 3.3Å; V440-I599 WeakPolarHBondContact O-CA 3.24Å; V440-Q600 PolarHBondContact O-N 3.42Å |
| 441 | Q | 96.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 131 | 178.6 | -60 | -170.8 | -49.6 | 0 | 0 | 108.4 | V439 Q559 P560 T561 I562 Q600 F607 T610 | V439-Q441 PolarHBondContact O-N 2.98Å; Q441-Q559 HydrophobicContact CG-CB 3.98Å; Q441-P560 PolarHBondContact N-O 3.15Å; Q441-T561 HydrophobicContact CB-CG2 4.33Å; Q441-T561 CarbonylContact O-C 3.45Å; Q441-T561 WeakPolarHBondContact O-CA 3.37Å; Q441-I562 PolarHBondContact O-N 3.3Å; Q441-Q600 WeakPolarHBondContact CA-O 3.39Å; Q441-Q600 HydrophobicContact CG-CB 4.46Å; Q441-F607 HydrophobicContact CB-CD1 4.1Å; Q441-F607 HydrophobicContact CB-CD2 3.97Å; Q441-F607 HydrophobicContact CB-CE1 4.04Å; Q441-F607 HydrophobicContact CB-CE2 3.9Å; Q441-F607 HydrophobicContact CB-CG 4.06Å; Q441-F607 HydrophobicContact CB-CZ 3.92Å; Q441-F607 VanDerWaalsContact CD-CD1 3.44Å; Q441-F607 HydrophobicContact CG-CD1 4.09Å; Q441-F607 HydrophobicContact CG-CE1 4.08Å; Q441-F607 HydrophobicContact CG-CG 4.46Å; Q441-F607 HydrophobicContact CG-CZ 4.42Å; Q441-F607 VanDerWaalsContact NE2-CD1 3.32Å; Q441-T610 PolarHBondContact NE2-OG1 3.48Å; Q441-T610 PolarHBondContact OE1-OG1 3.22Å |
| 442 | V | 97 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 112.5 | -175.3 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | V440 I444 L547 I562 F564 M589 I599 Q600 T601 G602 | V440-V442 HydrophobicContact CG1-CG2 4.43Å; V442-I444 HydrophobicContact CG1-CG1 4.36Å; V442-L547 HydrophobicContact CG2-CD2 3.89Å; V442-I562 HydrophobicContact CG2-CB 4.47Å; V442-F564 HydrophobicContact CG1-CB 4.44Å; V442-M589 HydrophobicContact CG1-SD 4.24Å; V442-I599 HydrophobicContact CB-CG2 4.33Å; V442-I599 HydrophobicContact CG2-CG2 3.88Å; V442-Q600 PolarHBondContact N-O 2.75Å; V442-T601 WeakPolarHBondContact O-CA 3.27Å; V442-G602 PolarHBondContact O-N 3.17Å |
| 443 | S | 96.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114.5 | 171.2 | -156.1 | 0 | 0 | 0 | 0 | 109.8 | I562 F564 G602 L604 | S443-I562 PolarHBondContact N-O 2.63Å; S443-F564 PolarHBondContact O-N 3.05Å; S443-G602 WeakPolarHBondContact CA-O 3.42Å; S443-G602 WeakPolarHBondContact CB-O 3.43Å; S443-G602 PolarHBondContact OG-O 2.57Å; S443-L604 PolarHBondContact OG-N 3.02Å |
| 444 | I | 96.2 | Very high | 90.5 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.3 | 175.4 | -54.5 | 162.8 | 0 | 0 | 0 | 107 | V442 I460 V462 F564 I566 L586 T601 | V442-I444 HydrophobicContact CG1-CG1 4.36Å; I444-I460 HydrophobicContact CD1-CG2 4.36Å; I444-V462 HydrophobicContact CB-CG1 4.04Å; I444-V462 HydrophobicContact CG2-CG1 3.91Å; I444-V462 WeakPolarHBondContact O-CB 3.41Å; I444-V462 WeakPolarHBondContact O-CG1 3.4Å; I444-F564 WeakPolarHBondContact CA-O 3.47Å; I444-I566 HydrophobicContact CG2-CD1 4.13Å; I444-I566 HydrophobicContact CG2-CG1 3.71Å; I444-L586 HydrophobicContact CD1-CB 4.5Å; I444-L586 HydrophobicContact CD1-CD2 3.98Å; I444-L586 HydrophobicContact CG1-CD2 4.42Å; I444-L586 HydrophobicContact CG2-CD1 4.45Å; I444-T601 HydrophobicContact CD1-CG2 4.38Å |
| 445 | L | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 154.4 | 177.9 | -59.6 | -178.7 | 0 | 0 | 0 | 110.7 | E463 I465 V468 V473 T563 F564 P565 I566 L604 | L445-E463 WeakPolarHBondContact CA-O 3.38Å; L445-E463 HydrophobicContact CD2-CB 4.28Å; L445-I465 HydrophobicContact CB-CG1 4.13Å; L445-I465 HydrophobicContact CD1-CG1 3.8Å; L445-V468 HydrophobicContact CD1-CG2 3.97Å; L445-V468 HydrophobicContact CD2-CG2 3.82Å; L445-V473 HydrophobicContact CD1-CG2 3.62Å; L445-T563 HydrophobicContact CD1-CG2 3.54Å; L445-T563 HydrophobicContact CG-CG2 4.27Å; L445-F564 PolarHBondContact N-O 3.21Å; L445-P565 CarbonylContact O-C 3.5Å; L445-P565 WeakPolarHBondContact O-CA 3.34Å; L445-I566 PolarHBondContact O-N 3.05Å; L445-L604 HydrophobicContact CD1-CD1 4.16Å |
| 446 | A | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 138.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | T448 I451 K452 L455 V462 E463 T464 I465 | A446-T448 VanDerWaalsContact C-N 3.34Å; A446-T448 WeakPolarHBondContact CB-O 3.42Å; A446-I451 HydrophobicContact CB-CB 4.33Å; A446-I451 HydrophobicContact CB-CG2 4.06Å; A446-K452 HydrophobicContact CB-CB 3.68Å; A446-L455 HydrophobicContact CB-CD1 4.35Å; A446-V462 HydrophobicContact CB-CG2 4Å; A446-E463 PolarHBondContact N-O 3.25Å; A446-T464 HydrophobicContact CB-CG2 4.02Å; A446-T464 WeakPolarHBondContact O-CA 3.33Å; A446-I465 PolarHBondContact O-N 2.98Å |
| 447 | E | 87.4 | Confident | 92.8 | Very high | 45 Ų | 45 | 41.2 Ų | 41.2 | 21% | 0.21 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -64.8 | -37.8 | 170.7 | 176.5 | 170.5 | -128.5 | 0 | 0 | 111.6 | I451 I566 S567 H568 N714 M717 | E447-I451 HydrophobicContact CB-CD1 3.96Å; E447-I566 VanDerWaalsContact CB-O 3.27Å; E447-I566 WeakPolarHBondContact CB-O 3.44Å; E447-I566 PolarHBondContact N-O 3.32Å; E447-S567 WeakPolarHBondContact OE2-CA 3.38Å; E447-S567 VanDerWaalsContact OE2-CB 3.27Å; E447-S567 WeakPolarHBondContact OE2-CB 3.4Å; E447-H568 PolarHBondContact OE2-N 3.2Å; E447-N714 PolarHBondContact OE1-ND2 2.86Å; E447-M717 HydrophobicContact CB-CE 4.27Å; E447-M717 HydrophobicContact CG-CE 3.77Å; E447-M717 HydrophobicContact CG-SD 3.95Å |
| 448 | T | 87.6 | Confident | 93.2 | Very high | 49 Ų | 49 | 39.1 Ų | 39.1 | 30% | 0.301 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -137.9 | 166.8 | 179.3 | 83.8 | 0 | 0 | 0 | 0 | 113 | A446 E450 I451 K452 T464 | A446-T448 VanDerWaalsContact C-N 3.34Å; A446-T448 WeakPolarHBondContact CB-O 3.42Å; T448-E450 VanDerWaalsContact C-N 3.27Å; T448-E450 WeakPolarHBondContact CB-OE2 3.44Å; T448-E450 PolarHBondContact O-N 3.46Å; T448-E450 PolarHBondContact OG1-N 2.96Å; T448-E450 PolarHBondContact OG1-OE2 3.15Å; T448-I451 HydrophobicContact CG2-CD1 4.34Å; T448-I451 PolarHBondContact O-N 3.38Å; T448-I451 PolarHBondContact OG1-N 3.27Å; T448-K452 PolarHBondContact O-N 3.06Å; T448-T464 WeakPolarHBondContact O-CG2 3.1Å |
| 449 | E | 90.3 | Very high | 93.2 | Very high | 92 Ų | 92 | 40.9 Ų | 40.9 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.8 | -26.7 | 176.7 | -69.4 | -65.9 | 138.3 | 0 | 0 | 112.4 | K452 A453 T464 | E449-K452 VanDerWaalsContact CD-NZ 3.26Å; E449-K452 PolarHBondContact O-N 3.36Å; E449-K452 IonicContact OE1-NZ 2.67Å; E449-K452 PolarHBondContact OE1-NZ 3.24Å; E449-K452 WeakPolarHBondContact OE2-CD 3.45Å; E449-K452 WeakPolarHBondContact OE2-CE 3.35Å; E449-K452 IonicContact OE2-NZ 2.69Å; E449-K452 PolarHBondContact OE2-NZ 3.42Å; E449-A453 PolarHBondContact O-N 2.85Å; E449-T464 HydrophobicContact CG-CG2 4.2Å; E449-T464 WeakPolarHBondContact OE1-CB 3.32Å; E449-T464 WeakPolarHBondContact OE1-CG2 3.42Å; E449-T464 PolarHBondContact OE1-OG1 2.93Å |
| 450 | E | 90.5 | Very high | 93.2 | Very high | 131 Ų | 131 | 39.4 Ų | 39.4 | 61% | 0.612 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -66.3 | -46.8 | 173.2 | -58.9 | 72.4 | -157.6 | 0 | 0 | 110.7 | T448 K452 A453 I454 | T448-E450 VanDerWaalsContact C-N 3.27Å; T448-E450 WeakPolarHBondContact CB-OE2 3.44Å; T448-E450 PolarHBondContact O-N 3.46Å; T448-E450 PolarHBondContact OG1-N 2.96Å; T448-E450 PolarHBondContact OG1-OE2 3.15Å; E450-K452 VanDerWaalsContact C-N 3.31Å; E450-K452 PolarHBondContact O-N 2.9Å; E450-A453 WeakPolarHBondContact O-CB 3.41Å; E450-A453 PolarHBondContact O-N 3.07Å; E450-A453 VanDerWaalsContact O-N 3.13Å; E450-I454 WeakPolarHBondContact O-CG1 3.39Å; E450-I454 PolarHBondContact O-N 3.34Å |
| 451 | I | 91.9 | Very high | 93 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 176.2 | -68.2 | 165 | 0 | 0 | 0 | 110.8 | A446 E447 T448 A453 I454 L455 I566 H568 L571 | A446-I451 HydrophobicContact CB-CB 4.33Å; A446-I451 HydrophobicContact CB-CG2 4.06Å; E447-I451 HydrophobicContact CB-CD1 3.96Å; T448-I451 HydrophobicContact CG2-CD1 4.34Å; T448-I451 PolarHBondContact O-N 3.38Å; T448-I451 PolarHBondContact OG1-N 3.27Å; I451-A453 VanDerWaalsContact C-N 3.34Å; I451-A453 PolarHBondContact O-N 3.16Å; I451-I454 PolarHBondContact O-N 2.82Å; I451-L455 HydrophobicContact CG2-CD1 3.91Å; I451-L455 WeakPolarHBondContact O-CG 3.38Å; I451-L455 PolarHBondContact O-N 3.1Å; I451-I566 HydrophobicContact CG2-CB 4.05Å; I451-I566 HydrophobicContact CG2-CG2 3.76Å; I451-H568 HydrophobicContact CD1-CB 4.44Å; I451-L571 HydrophobicContact CG1-CD1 4.45Å |
| 452 | K | 93.9 | Very high | 92.9 | Very high | 30 Ų | 30 | 44.6 Ų | 44.6 | 13% | 0.13 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -39.6 | 172.4 | 176.4 | 171.1 | 158 | -157.9 | 0 | 112.3 | A446 T448 E449 E450 L455 K456 V462 T464 E467 | A446-K452 HydrophobicContact CB-CB 3.68Å; T448-K452 PolarHBondContact O-N 3.06Å; E449-K452 VanDerWaalsContact CD-NZ 3.26Å; E449-K452 PolarHBondContact O-N 3.36Å; E449-K452 IonicContact OE1-NZ 2.67Å; E449-K452 PolarHBondContact OE1-NZ 3.24Å; E449-K452 WeakPolarHBondContact OE2-CD 3.45Å; E449-K452 WeakPolarHBondContact OE2-CE 3.35Å; E449-K452 IonicContact OE2-NZ 2.69Å; E449-K452 PolarHBondContact OE2-NZ 3.42Å; E450-K452 VanDerWaalsContact C-N 3.31Å; E450-K452 PolarHBondContact O-N 2.9Å; K452-L455 PolarHBondContact O-N 3Å; K452-K456 VanDerWaalsContact O-CB 3.25Å; K452-K456 WeakPolarHBondContact O-CB 3.16Å; K452-K456 PolarHBondContact O-N 3.36Å; K452-V462 HydrophobicContact CB-CG2 4.21Å; K452-V462 HydrophobicContact CG-CG2 3.99Å; K452-T464 HydrophobicContact CB-CG2 4.28Å; K452-T464 HydrophobicContact CD-CG2 3.84Å; K452-E467 WeakPolarHBondContact CE-OE2 3.39Å; K452-E467 IonicContact NZ-OE1 2.68Å; K452-E467 PolarHBondContact NZ-OE1 3.26Å; K452-E467 IonicContact NZ-OE2 3.79Å; K452-E467 PolarHBondContact NZ-OE2 3.08Å |
| 453 | A | 93.8 | Very high | 92.7 | Very high | 62 Ų | 62 | 46 Ų | 46 | 51% | 0.512 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E449 E450 I451 K456 D457 | E449-A453 PolarHBondContact O-N 2.85Å; E450-A453 WeakPolarHBondContact O-CB 3.41Å; E450-A453 PolarHBondContact O-N 3.07Å; E450-A453 VanDerWaalsContact O-N 3.13Å; I451-A453 VanDerWaalsContact C-N 3.34Å; I451-A453 PolarHBondContact O-N 3.16Å; A453-K456 PolarHBondContact O-N 3.16Å; A453-D457 PolarHBondContact O-N 3.19Å |
| 454 | I | 93.9 | Very high | 92.5 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 175 | -66.2 | 167.7 | 0 | 0 | 0 | 111 | E450 I451 K456 D457 K458 L571 L578 | E450-I454 WeakPolarHBondContact O-CG1 3.39Å; E450-I454 PolarHBondContact O-N 3.34Å; I451-I454 PolarHBondContact O-N 2.82Å; I454-K456 PolarHBondContact O-N 2.75Å; I454-D457 PolarHBondContact O-N 3.03Å; I454-K458 PolarHBondContact O-N 2.95Å; I454-L571 HydrophobicContact CD1-CD1 4.31Å; I454-L571 HydrophobicContact CD1-CD2 4.13Å; I454-L578 HydrophobicContact CG2-CB 4.42Å |
| 455 | L | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -42 | 177.9 | -74.2 | 163.2 | 0 | 0 | 0 | 112 | A446 I451 K452 D457 K458 G459 I460 V462 I566 L578 L586 | A446-L455 HydrophobicContact CB-CD1 4.35Å; I451-L455 HydrophobicContact CG2-CD1 3.91Å; I451-L455 WeakPolarHBondContact O-CG 3.38Å; I451-L455 PolarHBondContact O-N 3.1Å; K452-L455 PolarHBondContact O-N 3Å; L455-D457 PolarHBondContact O-N 2.75Å; L455-K458 PolarHBondContact O-N 3.11Å; L455-K458 VanDerWaalsContact O-N 3.09Å; L455-G459 PolarHBondContact O-N 2.88Å; L455-I460 CarbonylContact C-O 3.24Å; L455-I460 VanDerWaalsContact C-O 3.24Å; L455-I460 HydrophobicContact CB-CB 4.37Å; L455-I460 HydrophobicContact CD2-CB 4.5Å; L455-I460 HydrophobicContact CD2-CD1 4.19Å; L455-I460 PolarHBondContact O-N 3.43Å; L455-V462 HydrophobicContact CB-CG2 4.18Å; L455-V462 HydrophobicContact CD1-CG1 4.33Å; L455-V462 HydrophobicContact CD1-CG2 3.78Å; L455-I566 HydrophobicContact CD1-CB 4.06Å; L455-I566 HydrophobicContact CD1-CG1 3.92Å; L455-I566 HydrophobicContact CD1-CG2 4.31Å; L455-I566 HydrophobicContact CD2-CG1 4.41Å; L455-L578 HydrophobicContact CD2-CD1 4.5Å; L455-L578 HydrophobicContact CD2-CD2 3.76Å; L455-L586 HydrophobicContact CD2-CD1 3.69Å |
| 456 | K | 94.3 | Very high | 91.3 | Very high | 124 Ų | 124 | 50.4 Ų | 50.4 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 179 | -165 | 179 | -168.1 | 92.9 | 0 | 112.5 | K452 A453 I454 K458 G459 I460 D461 | K452-K456 VanDerWaalsContact O-CB 3.25Å; K452-K456 WeakPolarHBondContact O-CB 3.16Å; K452-K456 PolarHBondContact O-N 3.36Å; A453-K456 PolarHBondContact O-N 3.16Å; I454-K456 PolarHBondContact O-N 2.75Å; K456-K458 VanDerWaalsContact C-N 3.26Å; K456-K458 PolarHBondContact O-N 3.09Å; K456-G459 PolarHBondContact O-N 3.26Å; K456-G459 VanDerWaalsContact O-N 3.1Å; K456-I460 WeakPolarHBondContact CA-O 3.33Å; K456-I460 PolarHBondContact N-O 2.9Å; K456-D461 IonicContact NZ-OD1 2.72Å; K456-D461 PolarHBondContact NZ-OD1 3.25Å |
| 457 | D | 92.8 | Very high | 91 | Very high | 118 Ų | 118 | 54.8 Ų | 54.8 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60 | -34.8 | 172.2 | 176.8 | 77.1 | 0 | 0 | 0 | 112.3 | A453 I454 L455 G459 | A453-D457 PolarHBondContact O-N 3.19Å; I454-D457 PolarHBondContact O-N 3.03Å; L455-D457 PolarHBondContact O-N 2.75Å; D457-G459 VanDerWaalsContact C-N 3.25Å; D457-G459 PolarHBondContact O-N 2.83Å |
| 458 | K | 91.6 | Very high | 91 | Very high | 62 Ų | 62 | 53 Ų | 53 | 27% | 0.27 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 2.9 | 176.9 | -51.3 | -44 | 172.3 | -157.1 | 0 | 114.5 | I454 L455 K456 L583 R587 | I454-K458 PolarHBondContact O-N 2.95Å; L455-K458 PolarHBondContact O-N 3.11Å; L455-K458 VanDerWaalsContact O-N 3.09Å; K456-K458 VanDerWaalsContact C-N 3.26Å; K456-K458 PolarHBondContact O-N 3.09Å; K458-L583 HydrophobicContact CB-CD1 3.86Å; K458-L583 HydrophobicContact CG-CD1 4.17Å; K458-L583 HydrophobicContact CG-CD2 4.46Å; K458-R587 PolarHBondContact O-NH2 2.98Å |
| 459 | G | 91.4 | Very high | 90.8 | Very high | 56 Ų | 56 | 56 Ų | 56 | 58% | 0.577 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | 22.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L455 K456 D457 Q590 | L455-G459 PolarHBondContact O-N 2.88Å; K456-G459 PolarHBondContact O-N 3.26Å; K456-G459 VanDerWaalsContact O-N 3.1Å; D457-G459 VanDerWaalsContact C-N 3.25Å; D457-G459 PolarHBondContact O-N 2.83Å; G459-Q590 PolarHBondContact O-NE2 3.02Å |
| 460 | I | 93 | Very high | 90.6 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | trans | -117.4 | 101.8 | -176.7 | -45.9 | 178.4 | 0 | 0 | 0 | 108.2 | I444 L455 K456 V462 L583 L586 | I444-I460 HydrophobicContact CD1-CG2 4.36Å; L455-I460 CarbonylContact C-O 3.24Å; L455-I460 VanDerWaalsContact C-O 3.24Å; L455-I460 HydrophobicContact CB-CB 4.37Å; L455-I460 HydrophobicContact CD2-CB 4.5Å; L455-I460 HydrophobicContact CD2-CD1 4.19Å; L455-I460 PolarHBondContact O-N 3.43Å; K456-I460 WeakPolarHBondContact CA-O 3.33Å; K456-I460 PolarHBondContact N-O 2.9Å; I460-V462 HydrophobicContact CG2-CG1 3.93Å; I460-L583 HydrophobicContact CD1-CD1 4.08Å; I460-L586 HydrophobicContact CD1-CB 3.77Å; I460-L586 HydrophobicContact CD1-CD1 3.72Å; I460-L586 HydrophobicContact CD1-CG 4.39Å | ||
| 461 | D | 92.8 | Very high | 90.6 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 55% | 0.551 | 28% | 0.281 | S | S | * | . | trans | -80.8 | 126.3 | 176.4 | -157.3 | 61.4 | 0 | 0 | 0 | 109.7 | K456 | K456-D461 IonicContact NZ-OD1 2.72Å; K456-D461 PolarHBondContact NZ-OD1 3.25Å | ||
| 462 | V | 94.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | trans | -141.5 | 160 | -174.8 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | I444 A446 K452 L455 I460 | I444-V462 HydrophobicContact CB-CG1 4.04Å; I444-V462 HydrophobicContact CG2-CG1 3.91Å; I444-V462 WeakPolarHBondContact O-CB 3.41Å; I444-V462 WeakPolarHBondContact O-CG1 3.4Å; A446-V462 HydrophobicContact CB-CG2 4Å; K452-V462 HydrophobicContact CB-CG2 4.21Å; K452-V462 HydrophobicContact CG-CG2 3.99Å; L455-V462 HydrophobicContact CB-CG2 4.18Å; L455-V462 HydrophobicContact CD1-CG1 4.33Å; L455-V462 HydrophobicContact CD1-CG2 3.78Å; I460-V462 HydrophobicContact CG2-CG1 3.93Å | ||
| 463 | E | 94.5 | Very high | 90.3 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 147.6 | 173.6 | -60.1 | -177 | 136.4 | 0 | 0 | 109.3 | L445 A446 E467 K603 | L445-E463 WeakPolarHBondContact CA-O 3.38Å; L445-E463 HydrophobicContact CD2-CB 4.28Å; A446-E463 PolarHBondContact N-O 3.25Å; E463-E467 WeakPolarHBondContact CA-OE2 3.47Å; E463-E467 HydrophobicContact CB-CB 4.21Å; E463-K603 HydrophobicContact CG-CD 4.32Å; E463-K603 WeakPolarHBondContact OE1-CD 3.28Å; E463-K603 WeakPolarHBondContact OE1-CE 3.44Å; E463-K603 IonicContact OE1-NZ 2.66Å; E463-K603 PolarHBondContact OE1-NZ 2.82Å |
| 464 | T | 90.5 | Very high | 90 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 156.8 | 167.1 | 49.1 | 0 | 0 | 0 | 0 | 110.4 | A446 T448 E449 K452 A466 E467 V468 | A446-T464 HydrophobicContact CB-CG2 4.02Å; A446-T464 WeakPolarHBondContact O-CA 3.33Å; T448-T464 WeakPolarHBondContact O-CG2 3.1Å; E449-T464 HydrophobicContact CG-CG2 4.2Å; E449-T464 WeakPolarHBondContact OE1-CB 3.32Å; E449-T464 WeakPolarHBondContact OE1-CG2 3.42Å; E449-T464 PolarHBondContact OE1-OG1 2.93Å; K452-T464 HydrophobicContact CB-CG2 4.28Å; K452-T464 HydrophobicContact CD-CG2 3.84Å; T464-A466 PolarHBondContact O-N 3.05Å; T464-E467 PolarHBondContact N-OE2 2.76Å; T464-E467 PolarHBondContact O-N 3.19Å; T464-E467 WeakPolarHBondContact OG1-CG 3.32Å; T464-E467 PolarHBondContact OG1-OE2 3.41Å; T464-V468 WeakPolarHBondContact O-CG2 3.28Å |
| 465 | I | 84.4 | Confident | 89.5 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 9% | 0.092 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -24.7 | 179 | -76.3 | 159.2 | 0 | 0 | 0 | 113.1 | L445 A446 V473 P565 M717 Y718 | L445-I465 HydrophobicContact CB-CG1 4.13Å; L445-I465 HydrophobicContact CD1-CG1 3.8Å; A446-I465 PolarHBondContact O-N 2.98Å; I465-V473 HydrophobicContact CG1-CG2 4.35Å; I465-V473 HydrophobicContact CG2-CB 4.13Å; I465-V473 HydrophobicContact CG2-CG2 4.35Å; I465-P565 HydrophobicContact CD1-CB 4.12Å; I465-M717 HydrophobicContact CB-CE 4.24Å; I465-M717 HydrophobicContact CD1-CE 3.43Å; I465-M717 VanDerWaalsContact CD1-CE 3.43Å; I465-M717 HydrophobicContact CG1-CE 4.41Å; I465-M717 HydrophobicContact CG2-CE 4.42Å; I465-Y718 HydrophobicContact CG2-CE1 3.71Å |
| 466 | A | 81.1 | Confident | 89.2 | Confident | 79 Ų | 79 | 45.8 Ų | 45.8 | 65% | 0.653 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -24.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T464 | T464-A466 PolarHBondContact O-N 3.05Š|
| 467 | E | 86.9 | Confident | 88.6 | Confident | 93 Ų | 93 | 40.4 Ų | 40.4 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -23.7 | -179 | -74.6 | 175.4 | 136.4 | 0 | 0 | 113.4 | K452 E463 T464 Y469 | K452-E467 WeakPolarHBondContact CE-OE2 3.39Å; K452-E467 IonicContact NZ-OE1 2.68Å; K452-E467 PolarHBondContact NZ-OE1 3.26Å; K452-E467 IonicContact NZ-OE2 3.79Å; K452-E467 PolarHBondContact NZ-OE2 3.08Å; E463-E467 WeakPolarHBondContact CA-OE2 3.47Å; E463-E467 HydrophobicContact CB-CB 4.21Å; T464-E467 PolarHBondContact N-OE2 2.76Å; T464-E467 PolarHBondContact O-N 3.19Å; T464-E467 WeakPolarHBondContact OG1-CG 3.32Å; T464-E467 PolarHBondContact OG1-OE2 3.41Å; E467-Y469 PolarHBondContact O-N 2.87Å; E467-Y469 VanDerWaalsContact O-N 3.08Å |
| 468 | V | 88.8 | Confident | 88.2 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -5.6 | -176.7 | -147.9 | 0 | 0 | 0 | 0 | 113.7 | L445 T464 I471 L604 | L445-V468 HydrophobicContact CD1-CG2 3.97Å; L445-V468 HydrophobicContact CD2-CG2 3.82Å; T464-V468 WeakPolarHBondContact O-CG2 3.28Å; V468-I471 HydrophobicContact CG1-CB 4.05Å; V468-I471 HydrophobicContact CG1-CD1 4.34Å; V468-I471 WeakPolarHBondContact O-CB 3.34Å; V468-I471 PolarHBondContact O-N 3.49Å; V468-L604 HydrophobicContact CG1-CB 3.77Å; V468-L604 HydrophobicContact CG1-CD1 3.72Å; V468-L604 HydrophobicContact CG1-CG 4.38Å |
| 469 | Y | 82.8 | Confident | 88.1 | Confident | 111 Ų | 111 | 31.9 Ų | 31.9 | 44% | 0.435 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 128.7 | 178.3 | -174.3 | -83.6 | 0 | 0 | 0 | 111.1 | E467 P674 | E467-Y469 PolarHBondContact O-N 2.87Å; E467-Y469 VanDerWaalsContact O-N 3.08Å; Y469-P674 HydrophobicContact CD1-CG 3.77Å; Y469-P674 HydrophobicContact CE1-CG 3.46Å; Y469-P674 VanDerWaalsContact CE1-CG 3.46Å; Y469-P674 HydrophobicContact CG-CG 4.5Å; Y469-P674 WeakPolarHBondContact OH-CD 3.36Å |
| 470 | P | 86.3 | Confident | 87.9 | Confident | 84 Ų | 84 | 29.2 Ų | 29.2 | 55% | 0.545 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -87.8 | -0.5 | 22.9 | 34.4 | -38.1 | 0 | 0 | 0 | 116.8 | ||
| 471 | I | 90.6 | Very high | 87.6 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -75.6 | 127.9 | 178.5 | -51.6 | 172.3 | 0 | 0 | 0 | 108.9 | V468 I517 T519 L604 L608 | V468-I471 HydrophobicContact CG1-CB 4.05Å; V468-I471 HydrophobicContact CG1-CD1 4.34Å; V468-I471 WeakPolarHBondContact O-CB 3.34Å; V468-I471 PolarHBondContact O-N 3.49Å; I471-I517 CarbonylContact C-O 3.54Å; I471-I517 WeakPolarHBondContact CA-O 3.48Å; I471-I517 HydrophobicContact CG2-CG2 4.24Å; I471-T519 HydrophobicContact CG2-CG2 4.02Å; I471-L604 HydrophobicContact CD1-CB 3.71Å; I471-L608 HydrophobicContact CD1-CD1 4.27Å; I471-L608 HydrophobicContact CD1-CD2 3.61Å; I471-L608 HydrophobicContact CD1-CG 4.07Å; I471-L608 HydrophobicContact CG1-CD2 4.23Å |
| 472 | R | 89.1 | Confident | 87.4 | Confident | 23 Ų | 23 | 25.6 Ų | 25.6 | 9% | 0.087 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 112.2 | -178.9 | -68.2 | -177.8 | 174.7 | -83.3 | 4.7 | 111.1 | T516 I517 F518 T519 L668 T672 | R472-T516 HydrophobicContact CG-CG2 4.03Å; R472-I517 PolarHBondContact N-O 3.29Å; R472-F518 HydrophobicContact CB-CD1 3.62Å; R472-F518 HydrophobicContact CB-CE1 3.8Å; R472-F518 HydrophobicContact CB-CG 4.11Å; R472-F518 HydrophobicContact CB-CZ 4.42Å; R472-F518 VanDerWaalsContact CD-CZ 3.47Å; R472-F518 HydrophobicContact CG-CE1 4.33Å; R472-F518 CarbonylContact O-C 3.44Å; R472-F518 VanDerWaalsContact O-CA 3.27Å; R472-F518 WeakPolarHBondContact O-CA 3.4Å; R472-T519 PolarHBondContact O-N 3.37Å; R472-L668 PolarHBondContact NH2-O 3.17Å; R472-T672 VanDerWaalsContact CZ-OG1 3.29Å; R472-T672 PolarHBondContact NH1-OG1 2.83Å; R472-T672 PolarHBondContact NH2-OG1 2.9Å |
| 473 | V | 89.5 | Confident | 87.3 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 135.5 | 168.5 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | L445 I465 T519 T521 T563 Y718 | L445-V473 HydrophobicContact CD1-CG2 3.62Å; I465-V473 HydrophobicContact CG1-CG2 4.35Å; I465-V473 HydrophobicContact CG2-CB 4.13Å; I465-V473 HydrophobicContact CG2-CG2 4.35Å; V473-T519 CarbonylContact C-O 3.6Å; V473-T519 WeakPolarHBondContact CA-O 3.48Å; V473-T519 HydrophobicContact CB-CG2 4.35Å; V473-T519 HydrophobicContact CG2-CG2 3.94Å; V473-T521 HydrophobicContact CG1-CG2 3.73Å; V473-T563 HydrophobicContact CG1-CG2 3.85Å; V473-T563 HydrophobicContact CG2-CG2 4.15Å; V473-Y718 WeakPolarHBondContact O-CE1 3.3Å; V473-Y718 PolarHBondContact O-OH 2.92Å |
| 474 | Q | 87.6 | Confident | 87 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158 | 174.5 | -75 | -61.1 | -66.5 | 0 | 0 | 112.1 | F518 T519 F520 T521 Y664 | Q474-F518 HydrophobicContact CG-CD1 3.97Å; Q474-F518 HydrophobicContact CG-CE1 4.23Å; Q474-T519 PolarHBondContact N-O 2.71Å; Q474-F520 HydrophobicContact CB-CD1 3.76Å; Q474-F520 HydrophobicContact CB-CE1 3.58Å; Q474-F520 HydrophobicContact CB-CZ 4.49Å; Q474-F520 HydrophobicContact CG-CE1 4.49Å; Q474-F520 VanDerWaalsContact O-CA 3.25Å; Q474-F520 WeakPolarHBondContact O-CA 3.34Å; Q474-T521 PolarHBondContact O-N 3.01Å; Q474-Y664 PolarHBondContact OE1-OH 2.91Å |
| 475 | P | 84.9 | Confident | 86.9 | Confident | 17 Ų | 17 | 25.1 Ų | 25.1 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 144.9 | 173.6 | -19.2 | 34.3 | 0 | 0 | 0 | 113 | R477 I478 | P475-R477 VanDerWaalsContact C-N 3.25Å; P475-R477 HydrophobicContact CB-CG 4.03Å; P475-R477 PolarHBondContact O-N 3.36Å; P475-R477 VanDerWaalsContact O-N 3.09Å; P475-I478 PolarHBondContact O-N 2.89Å |
| 476 | A | 85.8 | Confident | 87.2 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 3% | 0.025 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -49.5 | -37.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | I478 L479 S480 T507 T521 Q523 | A476-I478 PolarHBondContact O-N 3.24Å; A476-I478 VanDerWaalsContact O-N 3.1Å; A476-L479 WeakPolarHBondContact O-CA 3.44Å; A476-L479 WeakPolarHBondContact O-CB 3.4Å; A476-L479 PolarHBondContact O-N 2.72Å; A476-S480 PolarHBondContact O-N 2.64Å; A476-S480 PolarHBondContact O-OG 3.34Å; A476-T507 HydrophobicContact CB-CG2 3.65Å; A476-T521 WeakPolarHBondContact CB-O 3.48Å; A476-Q523 HydrophobicContact CB-CB 4.25Å; A476-Q523 VanDerWaalsContact CB-OE1 3.29Å |
| 477 | R | 81.8 | Confident | 87.7 | Confident | 10 Ų | 10 | 21 Ų | 21 | 4% | 0.038 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -51.5 | -32 | 174.9 | 58 | 176.3 | 177.5 | -92.4 | 1.1 | 114.1 | P475 S480 H481 D526 H711 | P475-R477 VanDerWaalsContact C-N 3.25Å; P475-R477 HydrophobicContact CB-CG 4.03Å; P475-R477 PolarHBondContact O-N 3.36Å; P475-R477 VanDerWaalsContact O-N 3.09Å; R477-S480 VanDerWaalsContact O-CB 3.32Å; R477-S480 WeakPolarHBondContact O-CB 3.27Å; R477-S480 PolarHBondContact O-N 3.41Å; R477-H481 PolarHBondContact O-CD2 3.13Å; R477-H481 PolarHBondContact O-N 3.48Å; R477-D526 IonicContact CZ-OD1 3.6Å; R477-D526 IonicContact CZ-OD2 3.18Å; R477-D526 IonicContact NH1-OD1 2.65Å; R477-D526 PolarHBondContact NH1-OD1 3.03Å; R477-D526 IonicContact NH1-OD2 3.1Å; R477-D526 PolarHBondContact NH1-OD2 3.23Å; R477-H711 PolarHBondContact NE-O 3.27Å |
| 478 | I | 85.3 | Confident | 88 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.6 | -33.4 | 177.6 | -66.8 | -61.1 | 0 | 0 | 0 | 111.8 | P475 A476 H481 I482 F520 L710 I712 | P475-I478 PolarHBondContact O-N 2.89Å; A476-I478 PolarHBondContact O-N 3.24Å; A476-I478 VanDerWaalsContact O-N 3.1Å; I478-H481 PolarHBondContact O-N 2.72Å; I478-I482 HydrophobicContact CG2-CD1 3.86Å; I478-I482 HydrophobicContact CG2-CG1 4.47Å; I478-I482 WeakPolarHBondContact O-CB 3.32Å; I478-I482 WeakPolarHBondContact O-CD1 3.5Å; I478-I482 VanDerWaalsContact O-CG1 3.23Å; I478-I482 WeakPolarHBondContact O-CG1 3.36Å; I478-I482 PolarHBondContact O-N 2.78Å; I478-F520 HydrophobicContact CB-CE1 4.24Å; I478-F520 HydrophobicContact CG2-CE1 4.18Å; I478-L710 HydrophobicContact CD1-CB 4.2Å; I478-L710 HydrophobicContact CD1-CD1 4.34Å; I478-I712 HydrophobicContact CD1-CD1 3.5Å; I478-I712 HydrophobicContact CD1-CG1 3.76Å; I478-I712 HydrophobicContact CG1-CD1 4.09Å; I478-I712 HydrophobicContact CG1-CG1 4.29Å |
| 479 | L | 89.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.8 | -39.4 | 171.5 | -170.5 | 59.2 | 0 | 0 | 0 | 111.2 | A476 H481 I482 Y483 M502 Y511 F520 L616 | A476-L479 WeakPolarHBondContact O-CA 3.44Å; A476-L479 WeakPolarHBondContact O-CB 3.4Å; A476-L479 PolarHBondContact O-N 2.72Å; L479-H481 VanDerWaalsContact C-N 3.35Å; L479-H481 PolarHBondContact O-N 2.89Å; L479-I482 PolarHBondContact O-N 3.3Å; L479-Y483 HydrophobicContact CD1-CD2 3.81Å; L479-Y483 HydrophobicContact CD1-CE2 3.66Å; L479-Y483 HydrophobicContact CG-CD2 3.96Å; L479-Y483 HydrophobicContact CG-CE2 4.03Å; L479-Y483 WeakPolarHBondContact O-CD2 3.4Å; L479-Y483 PolarHBondContact O-N 3.17Å; L479-M502 HydrophobicContact CB-CG 3.98Å; L479-M502 HydrophobicContact CD2-CB 4.34Å; L479-M502 HydrophobicContact CD2-CE 3.8Å; L479-M502 HydrophobicContact CD2-CG 4.12Å; L479-M502 HydrophobicContact CG-CE 3.93Å; L479-M502 HydrophobicContact CG-CG 3.88Å; L479-M502 HydrophobicContact CG-SD 4.33Å; L479-Y511 HydrophobicContact CD1-CD2 4.21Å; L479-Y511 HydrophobicContact CD1-CE1 4.23Å; L479-Y511 HydrophobicContact CD1-CE2 3.89Å; L479-Y511 HydrophobicContact CD1-CG 4.47Å; L479-Y511 HydrophobicContact CD2-CD2 4.36Å; L479-Y511 HydrophobicContact CD2-CE2 3.51Å; L479-Y511 HydrophobicContact CG-CE2 4.35Å; L479-F520 HydrophobicContact CB-CD1 3.8Å; L479-F520 HydrophobicContact CB-CD2 4.17Å; L479-F520 HydrophobicContact CB-CE1 3.8Å; L479-F520 HydrophobicContact CB-CE2 4.19Å; L479-F520 HydrophobicContact CB-CG 3.98Å; L479-F520 HydrophobicContact CB-CZ 4.01Å; L479-F520 HydrophobicContact CD1-CD2 4.14Å; L479-F520 HydrophobicContact CD1-CE2 3.7Å; L479-F520 HydrophobicContact CD1-CZ 3.96Å; L479-F520 HydrophobicContact CD2-CB 4.45Å; L479-F520 HydrophobicContact CD2-CD2 3.8Å; L479-F520 HydrophobicContact CD2-CE2 4.24Å; L479-F520 HydrophobicContact CD2-CG 4.05Å; L479-F520 HydrophobicContact CG-CD2 4.26Å; L479-F520 HydrophobicContact CG-CE2 4.26Å; L479-F520 HydrophobicContact CG-CG 4.5Å; L479-F520 HydrophobicContact CG-CZ 4.48Å; L479-L616 HydrophobicContact CD1-CD1 4.29Å |
| 480 | S | 86.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.9 | -45.5 | 172.3 | -44.5 | 0 | 0 | 0 | 0 | 112 | A476 R477 S484 R500 M502 | A476-S480 PolarHBondContact O-N 2.64Å; A476-S480 PolarHBondContact O-OG 3.34Å; R477-S480 VanDerWaalsContact O-CB 3.32Å; R477-S480 WeakPolarHBondContact O-CB 3.27Å; R477-S480 PolarHBondContact O-N 3.41Å; S480-S484 PolarHBondContact O-N 3.25Å; S480-S484 VanDerWaalsContact O-N 3.08Å; S480-S484 PolarHBondContact O-OG 3.48Å; S480-R500 WeakPolarHBondContact CB-O 3.41Å; S480-M502 WeakPolarHBondContact OG-CG 3.25Å; S480-M502 PolarHBondContact OG-N 3.36Å |
| 481 | H | 85.9 | Confident | 88.6 | Confident | 30 Ų | 30 | 21.3 Ų | 21.3 | 14% | 0.139 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 176.5 | -84.4 | -67.2 | 0 | 0 | 0 | 112.8 | R477 I478 L479 S484 Y499 C657 V661 | R477-H481 PolarHBondContact O-CD2 3.13Å; R477-H481 PolarHBondContact O-N 3.48Å; I478-H481 PolarHBondContact O-N 2.72Å; L479-H481 VanDerWaalsContact C-N 3.35Å; L479-H481 PolarHBondContact O-N 2.89Å; H481-S484 WeakPolarHBondContact O-CB 3.38Å; H481-S484 PolarHBondContact O-N 2.76Å; H481-Y499 AromaticContact CD2-CE2 3.76Å; H481-Y499 AromaticContact CE1-CE2 3.73Å; H481-Y499 AromaticContact CG-CE2 3.87Å; H481-Y499 AromaticContact ND1-CD2 3.99Å; H481-Y499 AromaticContact ND1-CE2 3.86Å; H481-Y499 AromaticContact NE2-CE2 3.66Å; H481-C657 PolarHBondContact ND1-SG 3.31Å; H481-C657 VanDerWaalsContact ND1-SG 3.41Å; H481-V661 HydrophobicContact CB-CG2 3.74Å |
| 482 | I | 89.5 | Confident | 88.8 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.9 | -51.5 | 174.4 | -71.7 | 160 | 0 | 0 | 0 | 110.6 | I478 L479 S484 S485 I513 F520 L616 F618 M619 V661 L665 | I478-I482 HydrophobicContact CG2-CD1 3.86Å; I478-I482 HydrophobicContact CG2-CG1 4.47Å; I478-I482 WeakPolarHBondContact O-CB 3.32Å; I478-I482 WeakPolarHBondContact O-CD1 3.5Å; I478-I482 VanDerWaalsContact O-CG1 3.23Å; I478-I482 WeakPolarHBondContact O-CG1 3.36Å; I478-I482 PolarHBondContact O-N 2.78Å; L479-I482 PolarHBondContact O-N 3.3Å; I482-S484 PolarHBondContact O-N 3.22Å; I482-S485 PolarHBondContact O-N 2.84Å; I482-S485 VanDerWaalsContact O-N 3.09Å; I482-S485 PolarHBondContact O-OG 3.21Å; I482-I513 HydrophobicContact CD1-CD1 3.87Å; I482-F520 HydrophobicContact CD1-CZ 4.26Å; I482-L616 HydrophobicContact CG2-CD1 3.81Å; I482-F618 HydrophobicContact CG2-CE2 4.23Å; I482-F618 HydrophobicContact CG2-CZ 4.19Å; I482-M619 HydrophobicContact CG2-CG 3.87Å; I482-M619 HydrophobicContact CG2-SD 4.17Å; I482-V661 HydrophobicContact CG1-CG1 3.74Å; I482-L665 HydrophobicContact CD1-CD1 4.39Å; I482-L665 HydrophobicContact CG1-CD1 4.31Å |
| 483 | Y | 91.1 | Very high | 89 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.4 | -20 | 178.3 | -88.3 | -75.2 | 0 | 0 | 0 | 113.7 | L231 L479 S485 L486 R497 M502 Y511 L616 F618 | L231-Y483 HydrophobicContact CD2-CD1 4.04Å; L231-Y483 HydrophobicContact CD2-CD2 4.27Å; L231-Y483 HydrophobicContact CD2-CE1 3.68Å; L231-Y483 HydrophobicContact CD2-CE2 3.92Å; L231-Y483 HydrophobicContact CD2-CG 4.32Å; L479-Y483 HydrophobicContact CD1-CD2 3.81Å; L479-Y483 HydrophobicContact CD1-CE2 3.66Å; L479-Y483 HydrophobicContact CG-CD2 3.96Å; L479-Y483 HydrophobicContact CG-CE2 4.03Å; L479-Y483 WeakPolarHBondContact O-CD2 3.4Å; L479-Y483 PolarHBondContact O-N 3.17Å; Y483-S485 PolarHBondContact O-N 3.05Å; Y483-L486 HydrophobicContact CD1-CD2 3.85Å; Y483-L486 HydrophobicContact CE1-CD2 4.12Å; Y483-L486 VanDerWaalsContact O-CB 3.3Å; Y483-L486 WeakPolarHBondContact O-CB 3.19Å; Y483-L486 PolarHBondContact O-N 3Å; Y483-L486 VanDerWaalsContact O-N 3.17Å; Y483-R497 VanDerWaalsContact O-CB 3.27Å; Y483-R497 WeakPolarHBondContact O-CB 3.48Å; Y483-M502 HydrophobicContact CD2-CE 3.74Å; Y483-M502 HydrophobicContact CD2-SD 3.77Å; Y483-M502 HydrophobicContact CE2-CE 3.73Å; Y483-M502 HydrophobicContact CE2-SD 4.39Å; Y483-M502 HydrophobicContact CG-SD 4.35Å; Y483-Y511 HydrophobicContact CE2-CE1 4.17Å; Y483-L616 HydrophobicContact CE1-CD2 4.49Å; Y483-F618 HydrophobicContact CD1-CZ 4.38Å |
| 484 | S | 89.3 | Confident | 89.2 | Confident | 17 Ų | 17 | 28.9 Ų | 28.9 | 12% | 0.119 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.9 | -21.7 | 174.2 | -57.3 | 0 | 0 | 0 | 0 | 113.1 | S480 H481 I482 R497 | S480-S484 PolarHBondContact O-N 3.25Å; S480-S484 VanDerWaalsContact O-N 3.08Å; S480-S484 PolarHBondContact O-OG 3.48Å; H481-S484 WeakPolarHBondContact O-CB 3.38Å; H481-S484 PolarHBondContact O-N 2.76Å; I482-S484 PolarHBondContact O-N 3.22Å; S484-R497 WeakPolarHBondContact CA-O 3.21Å |
| 485 | S | 87.2 | Confident | 89.4 | Confident | 19 Ų | 19 | 31 Ų | 31 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -13.6 | 174.4 | 71 | 0 | 0 | 0 | 0 | 114.4 | I482 Y483 G487 C488 M619 | I482-S485 PolarHBondContact O-N 2.84Å; I482-S485 VanDerWaalsContact O-N 3.09Å; I482-S485 PolarHBondContact O-OG 3.21Å; Y483-S485 PolarHBondContact O-N 3.05Å; S485-G487 PolarHBondContact O-N 2.89Å; S485-C488 PolarHBondContact O-N 3.24Å; S485-C488 PolarHBondContact O-SG 3.33Å; S485-M619 PolarHBondContact OG-SD 3.44Å |
| 486 | L | 91.9 | Very high | 89.7 | Confident | 8 Ų | 8 | 30.1 Ų | 30.1 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 126.3 | -178.8 | 177.5 | 64.1 | 0 | 0 | 0 | 110 | Q166 F170 H229 Y483 C488 G496 R497 F618 | Q166-L486 HydrophobicContact CG-CD1 4.03Å; Q166-L486 HydrophobicContact CG-CD2 4.32Å; Q166-L486 HydrophobicContact CG-CG 3.8Å; F170-L486 HydrophobicContact CE1-CD2 4.24Å; F170-L486 VanDerWaalsContact CE2-O 3.29Å; F170-L486 WeakPolarHBondContact CE2-O 3.33Å; F170-L486 HydrophobicContact CZ-CB 4.26Å; F170-L486 HydrophobicContact CZ-CD2 3.93Å; F170-L486 HydrophobicContact CZ-CG 3.91Å; F170-L486 WeakPolarHBondContact CZ-O 3.42Å; H229-L486 HydrophobicContact CB-CD2 3.92Å; Y483-L486 HydrophobicContact CD1-CD2 3.85Å; Y483-L486 HydrophobicContact CE1-CD2 4.12Å; Y483-L486 VanDerWaalsContact O-CB 3.3Å; Y483-L486 WeakPolarHBondContact O-CB 3.19Å; Y483-L486 PolarHBondContact O-N 3Å; Y483-L486 VanDerWaalsContact O-N 3.17Å; L486-C488 VanDerWaalsContact C-N 3.35Å; L486-G496 CarbonylContact O-C 3.54Å; L486-G496 WeakPolarHBondContact O-CA 3.43Å; L486-R497 PolarHBondContact O-N 3.24Å; L486-F618 HydrophobicContact CB-CD2 4.36Å; L486-F618 HydrophobicContact CB-CE1 4.48Å; L486-F618 HydrophobicContact CB-CE2 4Å; L486-F618 HydrophobicContact CB-CZ 4.06Å; L486-F618 HydrophobicContact CD1-CB 4.43Å; L486-F618 HydrophobicContact CD1-CD1 3.64Å; L486-F618 HydrophobicContact CD1-CD2 4.3Å; L486-F618 HydrophobicContact CD1-CE1 3.84Å; L486-F618 HydrophobicContact CD1-CE2 4.48Å; L486-F618 HydrophobicContact CD1-CG 3.88Å; L486-F618 HydrophobicContact CD1-CZ 4.27Å |
| 487 | G | 91.9 | Very high | 90 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 9.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N163 N167 S485 N489 | N163-G487 WeakPolarHBondContact OD1-CA 3.22Å; N167-G487 PolarHBondContact ND2-O 2.71Å; S485-G487 PolarHBondContact O-N 2.89Å; G487-N489 PolarHBondContact O-N 2.74Å |
| 488 | C | 91.4 | Very high | 90.2 | Very high | 58 Ų | 58 | 30.2 Ų | 30.2 | 39% | 0.392 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 131.3 | 170.1 | -70.9 | 0 | 0 | 0 | 0 | 110.7 | S485 L486 L494 S495 | S485-C488 PolarHBondContact O-N 3.24Å; S485-C488 PolarHBondContact O-SG 3.33Å; L486-C488 VanDerWaalsContact C-N 3.35Å; C488-L494 WeakPolarHBondContact CA-O 3.29Å; C488-S495 PolarHBondContact SG-O 2.66Å |
| 489 | N | 92.3 | Very high | 90.1 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 6% | 0.059 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 111.8 | 172.3 | -170.8 | -58 | 0 | 0 | 0 | 111.6 | D160 N163 G487 R491 M492 K493 L494 | D160-N489 PolarHBondContact OD1-ND2 2.97Å; N163-N489 HydrophobicContact CB-CB 4.04Å; G487-N489 PolarHBondContact O-N 2.74Å; N489-R491 PolarHBondContact O-N 3.4Å; N489-R491 WeakPolarHBondContact OD1-CA 3.42Å; N489-R491 WeakPolarHBondContact OD1-CB 3.48Å; N489-R491 PolarHBondContact OD1-N 2.86Å; N489-M492 HydrophobicContact CB-CB 4.18Å; N489-M492 PolarHBondContact OD1-N 3.41Å; N489-K493 CarbonylContact O-C 3.1Å; N489-K493 WeakPolarHBondContact O-CA 3.27Å; N489-K493 PolarHBondContact O-N 2.61Å; N489-L494 HydrophobicContact CB-CB 4.16Å; N489-L494 HydrophobicContact CB-CD1 4.44Å; N489-L494 PolarHBondContact N-O 2.94Å; N489-L494 PolarHBondContact O-N 2.82Å |
| 490 | S | 88.8 | Confident | 89.7 | Confident | 74 Ų | 74 | 37.6 Ų | 37.6 | 52% | 0.517 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -32.2 | -178.4 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 491 | R | 91.1 | Very high | 89.4 | Confident | 158 Ų | 158 | 39.7 Ų | 39.7 | 60% | 0.596 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -36.1 | -178.3 | -53.3 | 176.4 | -171.6 | 165.8 | 0.6 | 111.4 | D160 N489 E624 | D160-R491 IonicContact OD1-NH1 2.62Å; D160-R491 IonicContact OD2-CZ 3.55Å; D160-R491 IonicContact OD2-NH1 3.34Å; D160-R491 PolarHBondContact OD2-NH1 2.93Å; N489-R491 PolarHBondContact O-N 3.4Å; N489-R491 WeakPolarHBondContact OD1-CA 3.42Å; N489-R491 WeakPolarHBondContact OD1-CB 3.48Å; N489-R491 PolarHBondContact OD1-N 2.86Å; R491-E624 IonicContact CZ-OE1 2.85Å; R491-E624 IonicContact NH2-OE1 3.19Å; R491-E624 PolarHBondContact NH2-OE1 2.94Å |
| 492 | M | 93.4 | Very high | 89.3 | Confident | 36 Ų | 36 | 38.4 Ų | 38.4 | 18% | 0.177 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1.7 | 177.1 | -71.9 | -174.7 | 168.7 | 0 | 0 | 114.1 | I93 V96 D160 F164 N489 L494 | I93-M492 HydrophobicContact CD1-CE 4.48Å; I93-M492 HydrophobicContact CG2-CE 4.25Å; V96-M492 HydrophobicContact CG2-CB 4.15Å; D160-M492 HydrophobicContact CB-CE 4.02Å; F164-M492 HydrophobicContact CB-CE 4.46Å; F164-M492 HydrophobicContact CB-SD 4.03Å; F164-M492 HydrophobicContact CD2-SD 4.45Å; N489-M492 HydrophobicContact CB-CB 4.18Å; N489-M492 PolarHBondContact OD1-N 3.41Å; M492-L494 HydrophobicContact CB-CD1 3.93Å; M492-L494 HydrophobicContact CB-CG 4.04Å; M492-L494 PolarHBondContact O-N 3.39Å; M492-L494 HydrophobicContact SD-CD1 4.13Å |
| 493 | K | 94.4 | Very high | 89.2 | Confident | 149 Ų | 149 | 39.2 Ų | 39.2 | 65% | 0.648 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 20.4 | -172.7 | -47 | 175.2 | -166.5 | 156.8 | 0 | 115.4 | D97 N489 | D97-K493 IonicContact OD1-NZ 3.92Å; D97-K493 PolarHBondContact OD1-NZ 3.15Å; N489-K493 CarbonylContact O-C 3.1Å; N489-K493 WeakPolarHBondContact O-CA 3.27Å; N489-K493 PolarHBondContact O-N 2.61Å |
| 494 | L | 93.9 | Very high | 89.2 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127.3 | 179.8 | -68.5 | 166.5 | 0 | 0 | 0 | 110.4 | V96 E100 F164 N167 C488 N489 M492 G496 | V96-L494 HydrophobicContact CG2-CD1 3.94Å; V96-L494 HydrophobicContact CG2-CD2 3.66Å; V96-L494 HydrophobicContact CG2-CG 3.78Å; E100-L494 HydrophobicContact CB-CD2 4.3Å; E100-L494 WeakPolarHBondContact OE2-CA 3.25Å; F164-L494 HydrophobicContact CD2-CD1 4.32Å; N167-L494 HydrophobicContact CB-CD1 4.2Å; N167-L494 HydrophobicContact CB-CD2 4.09Å; C488-L494 WeakPolarHBondContact CA-O 3.29Å; N489-L494 HydrophobicContact CB-CB 4.16Å; N489-L494 HydrophobicContact CB-CD1 4.44Å; N489-L494 PolarHBondContact N-O 2.94Å; N489-L494 PolarHBondContact O-N 2.82Å; M492-L494 HydrophobicContact CB-CD1 3.93Å; M492-L494 HydrophobicContact CB-CG 4.04Å; M492-L494 PolarHBondContact O-N 3.39Å; M492-L494 HydrophobicContact SD-CD1 4.13Å; L494-G496 PolarHBondContact O-N 3.24Å |
| 495 | S | 91.5 | Very high | 89.4 | Confident | 46 Ų | 46 | 39.3 Ų | 39.3 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -15.1 | -176 | 59.8 | 0 | 0 | 0 | 0 | 115 | E100 K103 Y104 C488 | E100-S495 VanDerWaalsContact CD-OG 3.24Å; E100-S495 WeakPolarHBondContact OE1-CB 3.28Å; E100-S495 PolarHBondContact OE1-OG 2.75Å; E100-S495 PolarHBondContact OE2-N 3.12Å; E100-S495 PolarHBondContact OE2-OG 2.69Å; K103-S495 PolarHBondContact NZ-OG 2.7Å; Y104-S495 PolarHBondContact OH-OG 2.78Å; C488-S495 PolarHBondContact SG-O 2.66Å |
| 496 | G | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | 91.9 | -160.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113 | K103 L486 L494 | K103-G496 PolarHBondContact NZ-O 3.39Å; L486-G496 CarbonylContact O-C 3.54Å; L486-G496 WeakPolarHBondContact O-CA 3.43Å; L494-G496 PolarHBondContact O-N 3.24Å | ||
| 497 | R | 91 | Very high | 89.7 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -70.5 | 136.2 | 176.3 | -165.5 | -174.4 | 171.4 | -116.9 | 4.4 | 109.9 | F170 E234 Y483 S484 L486 R500 | F170-R497 HydrophobicContact CD1-CB 4.25Å; F170-R497 HydrophobicContact CD1-CG 3.91Å; F170-R497 HydrophobicContact CD2-CB 4.26Å; F170-R497 HydrophobicContact CE1-CB 3.82Å; F170-R497 HydrophobicContact CE1-CG 3.8Å; F170-R497 HydrophobicContact CE2-CB 3.84Å; F170-R497 HydrophobicContact CG-CB 4.48Å; F170-R497 HydrophobicContact CG-CG 4.35Å; F170-R497 HydrophobicContact CZ-CB 3.59Å; F170-R497 HydrophobicContact CZ-CG 4.12Å; E234-R497 IonicContact OE1-CZ 2.71Å; E234-R497 IonicContact OE1-NH2 3.64Å; E234-R497 PolarHBondContact OE1-NH2 2.89Å; Y483-R497 VanDerWaalsContact O-CB 3.27Å; Y483-R497 WeakPolarHBondContact O-CB 3.48Å; S484-R497 WeakPolarHBondContact CA-O 3.21Å; L486-R497 PolarHBondContact O-N 3.24Å; R497-R500 PolarHBondContact NH1-O 2.7Å |
| 498 | P | 87.3 | Confident | 89.9 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 5% | 0.045 | 19% | 0.192 | C | C | . | . | trans | -58.3 | 142.3 | 167.6 | -23.3 | 35.2 | 0 | 0 | 0 | 111 | K103 Y104 R500 | K103-P498 HydrophobicContact CB-CG 3.82Å; K103-P498 HydrophobicContact CD-CG 4.41Å; K103-P498 HydrophobicContact CG-CG 4.5Å; Y104-P498 HydrophobicContact CD1-CB 4.45Å; Y104-P498 HydrophobicContact CE1-CB 3.84Å; Y104-P498 HydrophobicContact CE1-CG 4.12Å; P498-R500 PolarHBondContact O-N 3.16Å | ||
| 499 | Y | 83.4 | Confident | 90.1 | Very high | 107 Ų | 107 | 35.6 Ų | 35.6 | 42% | 0.42 | 17% | 0.174 | S | C | . | . | trans | -61.8 | 114.4 | 173.4 | -177.8 | -87.3 | 0 | 0 | 0 | 110 | H481 L501 | H481-Y499 AromaticContact CD2-CE2 3.76Å; H481-Y499 AromaticContact CE1-CE2 3.73Å; H481-Y499 AromaticContact CG-CE2 3.87Å; H481-Y499 AromaticContact ND1-CD2 3.99Å; H481-Y499 AromaticContact ND1-CE2 3.86Å; H481-Y499 AromaticContact NE2-CE2 3.66Å; Y499-L501 HydrophobicContact CE1-CD2 4.43Å | ||
| 500 | R | 80.6 | Confident | 90.2 | Very high | 50 Ų | 50 | 35.1 Ų | 35.1 | 19% | 0.189 | 17% | 0.172 | C | C | . | . | trans | -138.9 | 151.9 | 169.4 | -50.4 | -174.2 | -160.9 | 126.5 | 14.1 | 107.8 | E173 E234 S480 R497 P498 | E173-R500 IonicContact OE1-CZ 2.76Å; E173-R500 IonicContact OE1-NH1 2.76Å; E173-R500 PolarHBondContact OE1-NH1 2.85Å; E173-R500 IonicContact OE1-NH2 3.54Å; E173-R500 PolarHBondContact OE1-NH2 2.91Å; E173-R500 IonicContact OE2-NH1 3.29Å; E234-R500 IonicContact OE1-CZ 3.98Å; E234-R500 IonicContact OE1-NH1 3.73Å; E234-R500 PolarHBondContact OE1-NH1 3.1Å; E234-R500 IonicContact OE2-NH1 3.65Å; S480-R500 WeakPolarHBondContact CB-O 3.41Å; R497-R500 PolarHBondContact NH1-O 2.7Å; P498-R500 PolarHBondContact O-N 3.16Å | ||
| 501 | L | 80.2 | Confident | 90.5 | Very high | 43 Ų | 43 | 31.6 Ų | 31.6 | 23% | 0.225 | 15% | 0.147 | C | C | . | . | trans | -59.9 | 160.9 | 177.9 | -60.6 | 179.2 | 0 | 0 | 0 | 111.6 | Y499 Q523 | Y499-L501 HydrophobicContact CE1-CD2 4.43Å; L501-Q523 HydrophobicContact CD1-CG 4.38Å | ||
| 502 | M | 84.9 | Confident | 90.6 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.015 | 13% | 0.133 | C | C | . | . | trans | -101.1 | 122.3 | 176.7 | -66.3 | -65.6 | -56 | 0 | 0 | 109 | L231 L479 S480 Y483 T507 | L231-M502 HydrophobicContact CD1-CE 4.13Å; L231-M502 HydrophobicContact CD1-SD 3.88Å; L231-M502 HydrophobicContact CD2-CE 3.67Å; L231-M502 HydrophobicContact CD2-SD 4.38Å; L479-M502 HydrophobicContact CB-CG 3.98Å; L479-M502 HydrophobicContact CD2-CB 4.34Å; L479-M502 HydrophobicContact CD2-CE 3.8Å; L479-M502 HydrophobicContact CD2-CG 4.12Å; L479-M502 HydrophobicContact CG-CE 3.93Å; L479-M502 HydrophobicContact CG-CG 3.88Å; L479-M502 HydrophobicContact CG-SD 4.33Å; S480-M502 WeakPolarHBondContact OG-CG 3.25Å; S480-M502 PolarHBondContact OG-N 3.36Å; Y483-M502 HydrophobicContact CD2-CE 3.74Å; Y483-M502 HydrophobicContact CD2-SD 3.77Å; Y483-M502 HydrophobicContact CE2-CE 3.73Å; Y483-M502 HydrophobicContact CE2-SD 4.39Å; Y483-M502 HydrophobicContact CG-SD 4.35Å; M502-T507 HydrophobicContact CB-CG2 4.09Å | ||
| 503 | G | 87 | Confident | 90.4 | Very high | 19 Ų | 19 | 25.1 Ų | 25.1 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | trans | -71.1 | -177.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D233 L505 G506 T507 | D233-G503 VanDerWaalsContact OD1-C 3.25Å; D233-G503 VanDerWaalsContact OD1-CA 3.26Å; D233-G503 WeakPolarHBondContact OD1-CA 3.25Å; G503-L505 VanDerWaalsContact C-N 3.26Å; G503-L505 PolarHBondContact O-N 3.07Å; G503-G506 PolarHBondContact O-N 3.47Å; G503-T507 PolarHBondContact O-N 3.02Å; G503-T507 PolarHBondContact O-OG1 3.18Å | ||
| 504 | V | 90.7 | Very high | 90 | Very high | 18 Ų | 18 | 20 Ų | 20 | 11% | 0.109 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.8 | -28.9 | -177.9 | 71.4 | 0 | 0 | 0 | 0 | 112.4 | D233 T507 S508 D546 Y549 L550 | D233-V504 PolarHBondContact OD1-N 2.97Å; V504-T507 WeakPolarHBondContact CA-OG1 3.33Å; V504-T507 PolarHBondContact O-OG1 3.25Å; V504-S508 VanDerWaalsContact O-CB 3.23Å; V504-S508 WeakPolarHBondContact O-CB 3.24Å; V504-S508 PolarHBondContact O-N 3.18Å; V504-S508 VanDerWaalsContact O-N 3.09Å; V504-S508 PolarHBondContact O-OG 2.7Å; V504-D546 HydrophobicContact CG2-CB 3.77Å; V504-Y549 HydrophobicContact CG1-CD1 3.43Å; V504-Y549 VanDerWaalsContact CG1-CD1 3.43Å; V504-Y549 HydrophobicContact CG1-CE1 3.82Å; V504-Y549 HydrophobicContact CG1-CG 4.38Å; V504-L550 HydrophobicContact CG2-CD1 3.79Å; V504-L550 HydrophobicContact CG2-CD2 4.13Å; V504-L550 HydrophobicContact CG2-CG 3.87Å |
| 505 | L | 92.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -77.1 | -36 | -178.9 | -50.8 | 178.2 | 0 | 0 | 0 | 111.8 | A232 D233 Q236 G503 K509 Y549 L550 W554 | A232-L505 HydrophobicContact CB-CB 3.92Å; A232-L505 HydrophobicContact CB-CD1 4.18Å; D233-L505 VanDerWaalsContact OD1-CB 3.25Å; D233-L505 WeakPolarHBondContact OD1-CB 3.36Å; D233-L505 WeakPolarHBondContact OD1-CG 3.46Å; D233-L505 PolarHBondContact OD1-N 3.42Å; Q236-L505 HydrophobicContact CB-CD1 3.99Å; Q236-L505 HydrophobicContact CG-CD1 3.57Å; G503-L505 VanDerWaalsContact C-N 3.26Å; G503-L505 PolarHBondContact O-N 3.07Å; L505-K509 WeakPolarHBondContact O-CE 3.35Å; L505-Y549 HydrophobicContact CD1-CE1 4.02Å; L505-Y549 HydrophobicContact CD2-CD1 4.08Å; L505-Y549 HydrophobicContact CD2-CE1 3.85Å; L505-Y549 HydrophobicContact CG-CE1 3.92Å; L505-L550 HydrophobicContact CD2-CD2 3.8Å; L505-W554 HydrophobicContact CB-CZ3 4.4Å; L505-W554 HydrophobicContact CD2-CE3 3.94Å; L505-W554 HydrophobicContact CD2-CZ3 4.35Å; L505-W554 WeakPolarHBondContact O-CZ3 3.45Å |
| 506 | G | 92.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.2 | -49.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D233 G503 S508 Y511 | D233-G506 PolarHBondContact OD2-N 3.44Å; G503-G506 PolarHBondContact O-N 3.47Å; G506-S508 PolarHBondContact O-N 2.95Å; G506-Y511 WeakPolarHBondContact O-CE2 3.34Å; G506-Y511 PolarHBondContact O-OH 3.45Å |
| 507 | T | 93.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.7 | -27.9 | -175.4 | 48.5 | 0 | 0 | 0 | 0 | 114.1 | A476 M502 G503 V504 K509 F520 | A476-T507 HydrophobicContact CB-CG2 3.65Å; M502-T507 HydrophobicContact CB-CG2 4.09Å; G503-T507 PolarHBondContact O-N 3.02Å; G503-T507 PolarHBondContact O-OG1 3.18Å; V504-T507 WeakPolarHBondContact CA-OG1 3.33Å; V504-T507 PolarHBondContact O-OG1 3.25Å; T507-K509 PolarHBondContact O-N 2.9Å; T507-F520 HydrophobicContact CG2-CB 4.37Å |
| 508 | S | 96 | Very high | 89.7 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 32.1 | -179.9 | -54.3 | 0 | 0 | 0 | 0 | 114.8 | V504 G506 L550 W554 T561 | V504-S508 VanDerWaalsContact O-CB 3.23Å; V504-S508 WeakPolarHBondContact O-CB 3.24Å; V504-S508 PolarHBondContact O-N 3.18Å; V504-S508 VanDerWaalsContact O-N 3.09Å; V504-S508 PolarHBondContact O-OG 2.7Å; G506-S508 PolarHBondContact O-N 2.95Å; S508-L550 WeakPolarHBondContact OG-CD1 3.35Å; S508-W554 WeakPolarHBondContact O-CH2 3.49Å; S508-T561 CarbonylContact C-O 3.54Å; S508-T561 VanDerWaalsContact C-O 3.29Å; S508-T561 VanDerWaalsContact CA-O 3.31Å; S508-T561 WeakPolarHBondContact CA-O 3.11Å; S508-T561 PolarHBondContact O-N 3.26Å |
| 509 | K | 94.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -123.2 | 160.6 | -179 | -62.8 | -179.5 | -177 | -171.7 | 0 | 111.5 | L505 T507 Y511 W554 M556 | L505-K509 WeakPolarHBondContact O-CE 3.35Å; T507-K509 PolarHBondContact O-N 2.9Å; K509-Y511 HydrophobicContact CB-CD2 4.2Å; K509-Y511 HydrophobicContact CB-CE2 3.73Å; K509-Y511 HydrophobicContact CD-CE2 4.39Å; K509-W554 HydrophobicContact CG-CH2 3.88Å; K509-M556 WeakPolarHBondContact CE-SD 3.41Å; K509-M556 PolarHBondContact NZ-SD 2.88Å |
| 510 | L | 95.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 146.8 | 159.9 | -56.1 | -175.8 | 0 | 0 | 0 | 109.8 | I517 F518 L604 L608 C612 C613 T614 | L510-I517 HydrophobicContact CB-CG2 4.07Å; L510-I517 HydrophobicContact CD1-CG2 4.39Å; L510-F518 WeakPolarHBondContact CA-O 3.45Å; L510-L604 HydrophobicContact CD2-CD2 4.08Å; L510-L608 HydrophobicContact CD1-CD2 3.66Å; L510-C612 PolarHBondContact N-O 2.86Å; L510-C613 VanDerWaalsContact O-CA 3.31Å; L510-C613 WeakPolarHBondContact O-CA 3.37Å; L510-T614 PolarHBondContact O-N 3.01Å |
| 511 | Y | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 119.9 | -175.4 | -76.3 | -80.7 | 0 | 0 | 0 | 111.7 | L479 Y483 G506 K509 I517 F518 F520 T614 L616 | L479-Y511 HydrophobicContact CD1-CD2 4.21Å; L479-Y511 HydrophobicContact CD1-CE1 4.23Å; L479-Y511 HydrophobicContact CD1-CE2 3.89Å; L479-Y511 HydrophobicContact CD1-CG 4.47Å; L479-Y511 HydrophobicContact CD2-CD2 4.36Å; L479-Y511 HydrophobicContact CD2-CE2 3.51Å; L479-Y511 HydrophobicContact CG-CE2 4.35Å; Y483-Y511 HydrophobicContact CE2-CE1 4.17Å; G506-Y511 WeakPolarHBondContact O-CE2 3.34Å; G506-Y511 PolarHBondContact O-OH 3.45Å; K509-Y511 HydrophobicContact CB-CD2 4.2Å; K509-Y511 HydrophobicContact CB-CE2 3.73Å; K509-Y511 HydrophobicContact CD-CE2 4.39Å; Y511-I517 CarbonylContact O-C 3.34Å; Y511-I517 WeakPolarHBondContact O-CA 3.44Å; Y511-F518 PolarHBondContact N-O 2.93Å; Y511-F518 PolarHBondContact O-N 3.05Å; Y511-F520 AromaticContact CD2-CD2 3.68Å; Y511-F520 HydrophobicContact CD2-CD2 3.68Å; Y511-F520 AromaticContact CD2-CE2 3.63Å; Y511-F520 HydrophobicContact CD2-CE2 3.63Å; Y511-F520 HydrophobicContact CE2-CD2 4.06Å; Y511-F520 HydrophobicContact CE2-CE2 4.28Å; Y511-F520 HydrophobicContact CG-CE2 4.18Å; Y511-T614 CarbonylContact C-O 3.54Å; Y511-T614 VanDerWaalsContact CA-O 3.26Å; Y511-T614 WeakPolarHBondContact CA-O 3.42Å; Y511-T614 HydrophobicContact CD1-CG2 4.43Å; Y511-T614 HydrophobicContact CE1-CG2 4.2Å; Y511-L616 HydrophobicContact CD1-CD1 3.66Å; Y511-L616 HydrophobicContact CD1-CD2 3.85Å; Y511-L616 HydrophobicContact CD1-CG 3.72Å; Y511-L616 HydrophobicContact CE1-CD1 4.1Å; Y511-L616 HydrophobicContact CE1-CD2 3.93Å; Y511-L616 HydrophobicContact CE1-CG 4.26Å; Y511-L616 HydrophobicContact CG-CD1 4.35Å |
| 512 | D | 92.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 21.7 Ų | 21.7 | 31% | 0.31 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 111.8 | 169 | -171.9 | -20.8 | 0 | 0 | 0 | 109.6 | K515 T516 T614 H615 L616 | D512-K515 WeakPolarHBondContact OD1-CA 3.42Å; D512-K515 PolarHBondContact OD1-N 3.47Å; D512-T516 PolarHBondContact OD1-N 3.27Å; D512-T614 PolarHBondContact N-O 3.29Å; D512-H615 HydrophobicContact CB-CB 4.39Å; D512-H615 WeakPolarHBondContact O-CA 3.35Å; D512-H615 PolarHBondContact O-ND1 3.17Å; D512-L616 PolarHBondContact O-N 2.75Å |
| 513 | I | 89.8 | Confident | 91.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 117.9 | 175.9 | -42 | -177.9 | 0 | 0 | 0 | 107.2 | I482 K515 T516 F518 L616 M619 L665 | I482-I513 HydrophobicContact CD1-CD1 3.87Å; I513-K515 VanDerWaalsContact C-N 3.27Å; I513-K515 PolarHBondContact O-N 3.23Å; I513-T516 PolarHBondContact N-O 2.86Å; I513-T516 WeakPolarHBondContact O-CB 3.37Å; I513-T516 PolarHBondContact O-N 3.38Å; I513-F518 HydrophobicContact CB-CD2 3.86Å; I513-F518 HydrophobicContact CB-CE2 3.84Å; I513-F518 HydrophobicContact CD1-CB 4.4Å; I513-F518 HydrophobicContact CD1-CD2 3.84Å; I513-F518 HydrophobicContact CD1-CE2 4.29Å; I513-F518 HydrophobicContact CD1-CG 4.12Å; I513-F518 HydrophobicContact CG1-CD2 3.82Å; I513-F518 HydrophobicContact CG1-CE2 4.28Å; I513-L616 HydrophobicContact CD1-CD1 3.93Å; I513-L616 HydrophobicContact CG1-CB 4.27Å; I513-L616 HydrophobicContact CG1-CD1 4.12Å; I513-L616 HydrophobicContact CG1-CG 4.37Å; I513-M619 HydrophobicContact CG2-CB 3.88Å; I513-M619 HydrophobicContact CG2-CG 4.34Å; I513-L665 HydrophobicContact CG2-CD1 4.3Å |
| 514 | R | 85.7 | Confident | 91.3 | Very high | 40 Ų | 40 | 22.2 Ų | 22.2 | 15% | 0.151 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 41.6 | -179.4 | -61.3 | 173.5 | -179.2 | -178 | 0.1 | 113.4 | T516 M619 D620 D666 L669 | R514-T516 PolarHBondContact O-N 2.89Å; R514-M619 VanDerWaalsContact CZ-O 3.23Å; R514-M619 PolarHBondContact NE-O 3.32Å; R514-M619 PolarHBondContact NH2-O 2.98Å; R514-D620 VanDerWaalsContact CA-OD1 3.24Å; R514-D620 WeakPolarHBondContact CA-OD1 3.48Å; R514-D620 VanDerWaalsContact CG-OD1 3.27Å; R514-D620 WeakPolarHBondContact CG-OD1 3.29Å; R514-D620 PolarHBondContact N-OD1 2.72Å; R514-D666 IonicContact CZ-OD1 3.12Å; R514-D666 IonicContact CZ-OD2 2.76Å; R514-D666 IonicContact NH1-OD1 2.69Å; R514-D666 PolarHBondContact NH1-OD1 2.95Å; R514-D666 IonicContact NH1-OD2 3.12Å; R514-D666 PolarHBondContact NH1-OD2 3.09Å; R514-D666 IonicContact NH2-OD2 2.91Å; R514-L669 HydrophobicContact CB-CD1 3.87Å; R514-L669 HydrophobicContact CG-CD1 4.4Å |
| 515 | K | 85.8 | Confident | 90.9 | Very high | 189 Ų | 189 | 22.5 Ų | 22.5 | 82% | 0.822 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 25 | -179.2 | -51.8 | 173.4 | -175.3 | 171.4 | 0 | 113.9 | D512 I513 | D512-K515 WeakPolarHBondContact OD1-CA 3.42Å; D512-K515 PolarHBondContact OD1-N 3.47Å; I513-K515 VanDerWaalsContact C-N 3.27Å; I513-K515 PolarHBondContact O-N 3.23Å |
| 516 | T | 89.3 | Confident | 89.9 | Confident | 32 Ų | 32 | 23.1 Ų | 23.1 | 20% | 0.196 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.5 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 108.7 | R472 D512 I513 R514 F518 L669 | R472-T516 HydrophobicContact CG-CG2 4.03Å; D512-T516 PolarHBondContact OD1-N 3.27Å; I513-T516 PolarHBondContact N-O 2.86Å; I513-T516 WeakPolarHBondContact O-CB 3.37Å; I513-T516 PolarHBondContact O-N 3.38Å; R514-T516 PolarHBondContact O-N 2.89Å; T516-F518 HydrophobicContact CG2-CD2 4.41Å; T516-F518 HydrophobicContact CG2-CE2 3.95Å; T516-F518 WeakPolarHBondContact O-CD2 3.34Å; T516-L669 HydrophobicContact CG2-CD2 3.97Å; T516-L669 WeakPolarHBondContact OG1-CD2 3.38Å |
| 517 | I | 93.3 | Very high | 88.5 | Confident | 55 Ų | 55 | 26 Ų | 26 | 28% | 0.282 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 124.2 | -179.2 | -54.2 | -179.7 | 0 | 0 | 0 | 109.2 | I471 R472 L510 Y511 L608 | I471-I517 CarbonylContact C-O 3.54Å; I471-I517 WeakPolarHBondContact CA-O 3.48Å; I471-I517 HydrophobicContact CG2-CG2 4.24Å; R472-I517 PolarHBondContact N-O 3.29Å; L510-I517 HydrophobicContact CB-CG2 4.07Å; L510-I517 HydrophobicContact CD1-CG2 4.39Å; Y511-I517 CarbonylContact O-C 3.34Å; Y511-I517 WeakPolarHBondContact O-CA 3.44Å; I517-L608 HydrophobicContact CD1-CD2 3.77Å; I517-L608 HydrophobicContact CG2-CD2 4.43Å |
| 518 | F | 94.1 | Very high | 87 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 151.6 | 171.3 | -70.6 | -102.5 | 0 | 0 | 0 | 110.6 | R472 Q474 L510 Y511 I513 T516 F520 L665 L668 L669 | R472-F518 HydrophobicContact CB-CD1 3.62Å; R472-F518 HydrophobicContact CB-CE1 3.8Å; R472-F518 HydrophobicContact CB-CG 4.11Å; R472-F518 HydrophobicContact CB-CZ 4.42Å; R472-F518 VanDerWaalsContact CD-CZ 3.47Å; R472-F518 HydrophobicContact CG-CE1 4.33Å; R472-F518 CarbonylContact O-C 3.44Å; R472-F518 VanDerWaalsContact O-CA 3.27Å; R472-F518 WeakPolarHBondContact O-CA 3.4Å; Q474-F518 HydrophobicContact CG-CD1 3.97Å; Q474-F518 HydrophobicContact CG-CE1 4.23Å; L510-F518 WeakPolarHBondContact CA-O 3.45Å; Y511-F518 PolarHBondContact N-O 2.93Å; Y511-F518 PolarHBondContact O-N 3.05Å; I513-F518 HydrophobicContact CB-CD2 3.86Å; I513-F518 HydrophobicContact CB-CE2 3.84Å; I513-F518 HydrophobicContact CD1-CB 4.4Å; I513-F518 HydrophobicContact CD1-CD2 3.84Å; I513-F518 HydrophobicContact CD1-CE2 4.29Å; I513-F518 HydrophobicContact CD1-CG 4.12Å; I513-F518 HydrophobicContact CG1-CD2 3.82Å; I513-F518 HydrophobicContact CG1-CE2 4.28Å; T516-F518 HydrophobicContact CG2-CD2 4.41Å; T516-F518 HydrophobicContact CG2-CE2 3.95Å; T516-F518 WeakPolarHBondContact O-CD2 3.34Å; F518-F520 HydrophobicContact CB-CE2 3.89Å; F518-F520 HydrophobicContact CB-CZ 4.06Å; F518-L665 HydrophobicContact CE1-CD2 4.19Å; F518-L665 HydrophobicContact CZ-CD2 3.96Å; F518-L668 HydrophobicContact CE1-CD2 4.07Å; F518-L668 HydrophobicContact CZ-CD2 4.43Å; F518-L669 HydrophobicContact CZ-CD2 4.29Å |
| 519 | T | 95.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 148.3 | 167.2 | -176 | 0 | 0 | 0 | 0 | 108.9 | I471 R472 V473 Q474 T563 L604 | I471-T519 HydrophobicContact CG2-CG2 4.02Å; R472-T519 PolarHBondContact O-N 3.37Å; V473-T519 CarbonylContact C-O 3.6Å; V473-T519 WeakPolarHBondContact CA-O 3.48Å; V473-T519 HydrophobicContact CB-CG2 4.35Å; V473-T519 HydrophobicContact CG2-CG2 3.94Å; Q474-T519 PolarHBondContact N-O 2.71Å; T519-T563 HydrophobicContact CG2-CG2 4.13Å; T519-T563 WeakPolarHBondContact CG2-OG1 3.1Å; T519-T563 PolarHBondContact OG1-OG1 2.86Å; T519-L604 HydrophobicContact CG2-CD1 3.92Å; T519-L604 HydrophobicContact CG2-CD2 4.33Å |
| 520 | F | 93.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.3 | -173.9 | -64 | -87.3 | 0 | 0 | 0 | 111.4 | Q474 I478 L479 I482 T507 Y511 F518 | Q474-F520 HydrophobicContact CB-CD1 3.76Å; Q474-F520 HydrophobicContact CB-CE1 3.58Å; Q474-F520 HydrophobicContact CB-CZ 4.49Å; Q474-F520 HydrophobicContact CG-CE1 4.49Å; Q474-F520 VanDerWaalsContact O-CA 3.25Å; Q474-F520 WeakPolarHBondContact O-CA 3.34Å; I478-F520 HydrophobicContact CB-CE1 4.24Å; I478-F520 HydrophobicContact CG2-CE1 4.18Å; L479-F520 HydrophobicContact CB-CD1 3.8Å; L479-F520 HydrophobicContact CB-CD2 4.17Å; L479-F520 HydrophobicContact CB-CE1 3.8Å; L479-F520 HydrophobicContact CB-CE2 4.19Å; L479-F520 HydrophobicContact CB-CG 3.98Å; L479-F520 HydrophobicContact CB-CZ 4.01Å; L479-F520 HydrophobicContact CD1-CD2 4.14Å; L479-F520 HydrophobicContact CD1-CE2 3.7Å; L479-F520 HydrophobicContact CD1-CZ 3.96Å; L479-F520 HydrophobicContact CD2-CB 4.45Å; L479-F520 HydrophobicContact CD2-CD2 3.8Å; L479-F520 HydrophobicContact CD2-CE2 4.24Å; L479-F520 HydrophobicContact CD2-CG 4.05Å; L479-F520 HydrophobicContact CG-CD2 4.26Å; L479-F520 HydrophobicContact CG-CE2 4.26Å; L479-F520 HydrophobicContact CG-CG 4.5Å; L479-F520 HydrophobicContact CG-CZ 4.48Å; I482-F520 HydrophobicContact CD1-CZ 4.26Å; T507-F520 HydrophobicContact CG2-CB 4.37Å; Y511-F520 AromaticContact CD2-CD2 3.68Å; Y511-F520 HydrophobicContact CD2-CD2 3.68Å; Y511-F520 AromaticContact CD2-CE2 3.63Å; Y511-F520 HydrophobicContact CD2-CE2 3.63Å; Y511-F520 HydrophobicContact CE2-CD2 4.06Å; Y511-F520 HydrophobicContact CE2-CE2 4.28Å; Y511-F520 HydrophobicContact CG-CE2 4.18Å; F518-F520 HydrophobicContact CB-CE2 3.89Å; F518-F520 HydrophobicContact CB-CZ 4.06Å |
| 521 | T | 91.4 | Very high | 83.8 | Confident | 19 Ų | 19 | 30.2 Ų | 30.2 | 12% | 0.117 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 146.8 | 175.7 | 63.7 | 0 | 0 | 0 | 0 | 110.1 | V473 Q474 A476 P565 | V473-T521 HydrophobicContact CG1-CG2 3.73Å; Q474-T521 PolarHBondContact O-N 3.01Å; A476-T521 WeakPolarHBondContact CB-O 3.48Å; T521-P565 HydrophobicContact CG2-CG 3.94Å |
| 522 | P | 89.5 | Confident | 83.4 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 4% | 0.039 | 15% | 0.147 | C | C | . | . | trans | -51.1 | 142 | 173.1 | -29 | 35 | 0 | 0 | 0 | 113.2 | F524 I525 I562 T563 | P522-F524 VanDerWaalsContact C-N 3.31Å; P522-F524 HydrophobicContact CB-CD1 3.71Å; P522-F524 HydrophobicContact CB-CE1 3.39Å; P522-F524 HydrophobicContact CB-CG 4.49Å; P522-F524 HydrophobicContact CB-CZ 3.94Å; P522-F524 HydrophobicContact CG-CE1 4.13Å; P522-F524 HydrophobicContact CG-CZ 4.39Å; P522-F524 PolarHBondContact O-N 3.03Å; P522-I525 HydrophobicContact CB-CD1 4.19Å; P522-I525 HydrophobicContact CB-CG1 4.38Å; P522-I525 HydrophobicContact CG-CD1 4.18Å; P522-I525 PolarHBondContact O-N 2.95Å; P522-I562 HydrophobicContact CG-CG2 3.64Å; P522-T563 WeakPolarHBondContact CD-O 3.34Å | ||
| 523 | Q | 83.9 | Confident | 82.9 | Confident | 24 Ų | 24 | 28.1 Ų | 28.1 | 11% | 0.112 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -57.8 | -42 | -176.3 | -176.2 | 58.6 | 59.9 | 0 | 0 | 112 | A476 L501 I525 D526 E839 | A476-Q523 HydrophobicContact CB-CB 4.25Å; A476-Q523 VanDerWaalsContact CB-OE1 3.29Å; L501-Q523 HydrophobicContact CD1-CG 4.38Å; Q523-I525 PolarHBondContact O-N 2.56Å; Q523-D526 WeakPolarHBondContact O-CB 3.31Å; Q523-D526 PolarHBondContact O-N 3Å; Q523-E839 WeakPolarHBondContact CG-OE1 3.5Å; Q523-E839 PolarHBondContact NE2-OE1 3.39Å |
| 524 | F | 83.8 | Confident | 82.7 | Confident | 9 Ų | 9 | 29.4 Ų | 29.4 | 4% | 0.039 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -63 | -4.2 | -176.8 | 70.8 | -101.5 | 0 | 0 | 0 | 116.2 | P522 A533 I539 M542 L543 D546 F564 E839 | P522-F524 VanDerWaalsContact C-N 3.31Å; P522-F524 HydrophobicContact CB-CD1 3.71Å; P522-F524 HydrophobicContact CB-CE1 3.39Å; P522-F524 HydrophobicContact CB-CG 4.49Å; P522-F524 HydrophobicContact CB-CZ 3.94Å; P522-F524 HydrophobicContact CG-CE1 4.13Å; P522-F524 HydrophobicContact CG-CZ 4.39Å; P522-F524 PolarHBondContact O-N 3.03Å; F524-A533 WeakPolarHBondContact O-CB 3.34Å; F524-I539 HydrophobicContact CE2-CG2 4.24Å; F524-M542 HydrophobicContact CB-CB 4.33Å; F524-M542 HydrophobicContact CB-CE 3.45Å; F524-M542 VanDerWaalsContact CB-CE 3.45Å; F524-M542 HydrophobicContact CB-SD 3.95Å; F524-M542 HydrophobicContact CD1-CB 4.18Å; F524-M542 HydrophobicContact CD2-CB 3.9Å; F524-M542 HydrophobicContact CE1-CB 4.5Å; F524-M542 HydrophobicContact CE2-CB 4.26Å; F524-M542 HydrophobicContact CG-CB 3.89Å; F524-M542 HydrophobicContact CG-CE 4.34Å; F524-M542 HydrophobicContact CG-SD 4.45Å; F524-L543 HydrophobicContact CE2-CB 4.33Å; F524-L543 HydrophobicContact CZ-CB 3.77Å; F524-L543 HydrophobicContact CZ-CD1 4.19Å; F524-D546 WeakPolarHBondContact CD1-OD2 3.42Å; F524-D546 VanDerWaalsContact CE1-OD2 3.29Å; F524-D546 WeakPolarHBondContact CE1-OD2 3.46Å; F524-F564 HydrophobicContact CE2-CE2 4.11Å; F524-F564 HydrophobicContact CZ-CE2 4.13Å; F524-E839 WeakPolarHBondContact CA-OE2 3.32Å |
| 525 | I | 80.8 | Confident | 82.9 | Confident | 24 Ų | 24 | 28 Ų | 28 | 12% | 0.123 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -91.5 | -11.5 | 175.8 | -53.3 | 177.2 | 0 | 0 | 0 | 110.6 | P522 Q523 Q527 F564 P565 M570 | P522-I525 HydrophobicContact CB-CD1 4.19Å; P522-I525 HydrophobicContact CB-CG1 4.38Å; P522-I525 HydrophobicContact CG-CD1 4.18Å; P522-I525 PolarHBondContact O-N 2.95Å; Q523-I525 PolarHBondContact O-N 2.56Å; I525-Q527 PolarHBondContact O-N 2.8Å; I525-F564 HydrophobicContact CD1-CD2 3.62Å; I525-F564 HydrophobicContact CD1-CE2 3.63Å; I525-F564 HydrophobicContact CG1-CE2 4.4Å; I525-P565 HydrophobicContact CD1-CG 4.35Å; I525-P565 HydrophobicContact CG2-CG 4.34Å; I525-M570 HydrophobicContact CG2-CE 4.45Å |
| 526 | D | 72.4 | Confident | 83.1 | Confident | 18 Ų | 18 | 19.4 Ų | 19.4 | 10% | 0.096 | 10% | 0.099 | C | C | . | . | trans | -75.2 | 81 | -177.7 | -168.7 | 9.8 | 0 | 0 | 0 | 112.9 | R477 Q523 Q528 Q529 | R477-D526 IonicContact CZ-OD1 3.6Å; R477-D526 IonicContact CZ-OD2 3.18Å; R477-D526 IonicContact NH1-OD1 2.65Å; R477-D526 PolarHBondContact NH1-OD1 3.03Å; R477-D526 IonicContact NH1-OD2 3.1Å; R477-D526 PolarHBondContact NH1-OD2 3.23Å; Q523-D526 WeakPolarHBondContact O-CB 3.31Å; Q523-D526 PolarHBondContact O-N 3Å; D526-Q528 PolarHBondContact O-N 3.36Å; D526-Q528 WeakPolarHBondContact OD1-CB 3.47Å; D526-Q528 PolarHBondContact OD1-N 3.14Å; D526-Q529 HydrophobicContact CB-CG 4.24Å; D526-Q529 PolarHBondContact O-N 3.28Å; D526-Q529 PolarHBondContact OD2-NE2 3.49Å; D526-Q529 VanDerWaalsContact OD2-NE2 3.1Å | ||
| 527 | Q | 64.3 | Low | 83.2 | Confident | 60 Ų | 60 | 22.2 Ų | 22.2 | 28% | 0.28 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -14 | 179.3 | -56.5 | -165.4 | -37 | 0 | 0 | 114.4 | I525 A533 T569 | I525-Q527 PolarHBondContact O-N 2.8Å; Q527-A533 HydrophobicContact CG-CB 3.85Å; Q527-A533 PolarHBondContact NE2-O 2.76Å; Q527-T569 PolarHBondContact NE2-OG1 2.77Å; Q527-T569 VanDerWaalsContact NE2-OG1 3.12Å |
| 528 | Q | 61.3 | Low | 83.1 | Confident | 45 Ų | 45 | 19.7 Ų | 19.7 | 21% | 0.21 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -42 | 171.5 | -65.5 | -171.5 | -110.1 | 0 | 0 | 112.6 | D526 H711 Q713 K836 | D526-Q528 PolarHBondContact O-N 3.36Å; D526-Q528 WeakPolarHBondContact OD1-CB 3.47Å; D526-Q528 PolarHBondContact OD1-N 3.14Å; Q528-H711 PolarHBondContact NE2-O 3.01Å; Q528-H711 VanDerWaalsContact NE2-O 3.16Å; Q528-H711 PolarHBondContact OE1-O 2.92Å; Q528-Q713 VanDerWaalsContact CD-CG 3.42Å; Q528-Q713 HydrophobicContact CG-CB 4.22Å; Q528-Q713 HydrophobicContact CG-CG 3.88Å; Q528-Q713 VanDerWaalsContact OE1-CB 3.23Å; Q528-K836 PolarHBondContact O-NZ 2.61Å |
| 529 | Q | 64.4 | Low | 82.9 | Confident | 48 Ų | 48 | 19.8 Ų | 19.8 | 22% | 0.224 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -59.1 | -173.5 | -52.8 | -55.3 | -34.9 | 0 | 0 | 110.6 | D526 K836 E839 | D526-Q529 HydrophobicContact CB-CG 4.24Å; D526-Q529 PolarHBondContact O-N 3.28Å; D526-Q529 PolarHBondContact OD2-NE2 3.49Å; D526-Q529 VanDerWaalsContact OD2-NE2 3.1Å; Q529-K836 WeakPolarHBondContact O-CB 3.45Å; Q529-E839 HydrophobicContact CB-CG 3.71Å; Q529-E839 WeakPolarHBondContact CB-OE1 3.34Å; Q529-E839 HydrophobicContact CG-CG 4.28Å; Q529-E839 VanDerWaalsContact CG-OE1 3.29Å; Q529-E839 WeakPolarHBondContact CG-OE1 3.44Å |
| 530 | F | 72.9 | Confident | 82.8 | Confident | 6 Ų | 6 | 20.3 Ų | 20.3 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | trans | -151.5 | 155.3 | -168.5 | -156.7 | -129.2 | 0 | 0 | 0 | 113.8 | L532 K836 V838 E839 T893 E897 | F530-L532 VanDerWaalsContact C-N 3.34Å; F530-L532 HydrophobicContact CD1-CD1 3.8Å; F530-L532 HydrophobicContact CD1-CG 3.61Å; F530-L532 HydrophobicContact CE1-CD1 4.06Å; F530-L532 HydrophobicContact CE1-CD2 4.26Å; F530-L532 HydrophobicContact CE1-CG 3.83Å; F530-L532 PolarHBondContact O-N 3.41Å; F530-K836 HydrophobicContact CD2-CB 4.5Å; F530-V838 HydrophobicContact CD1-CG1 4.16Å; F530-V838 HydrophobicContact CD2-CG2 4.16Å; F530-V838 HydrophobicContact CE1-CB 4.39Å; F530-V838 HydrophobicContact CE1-CG1 3.88Å; F530-V838 HydrophobicContact CE1-CG2 4.05Å; F530-V838 HydrophobicContact CE2-CG2 3.64Å; F530-V838 HydrophobicContact CZ-CB 4.4Å; F530-V838 HydrophobicContact CZ-CG1 4.28Å; F530-V838 HydrophobicContact CZ-CG2 3.59Å; F530-E839 HydrophobicContact CB-CG 4.39Å; F530-T893 HydrophobicContact CZ-CG2 4.44Å; F530-E897 HydrophobicContact CE1-CG 4.32Å; F530-E897 HydrophobicContact CZ-CG 4.42Å | ||
| 531 | Y | 82.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -81.7 | 0.4 | -168.2 | 53.9 | -98.7 | 0 | 0 | 0 | 115.8 | A533 L534 Y815 I827 R828 S831 T893 E897 P952 | Y531-A533 PolarHBondContact O-N 3.06Å; Y531-L534 WeakPolarHBondContact O-CB 3.47Å; Y531-L534 PolarHBondContact O-N 3.46Å; Y531-Y815 WeakPolarHBondContact CB-OH 3.47Å; Y531-Y815 HydrophobicContact CD1-CE2 4.5Å; Y531-I827 VanDerWaalsContact CB-CG2 3.46Å; Y531-I827 HydrophobicContact CD1-CG2 3.65Å; Y531-I827 HydrophobicContact CD2-CG2 4.01Å; Y531-I827 HydrophobicContact CE1-CG2 4.41Å; Y531-I827 HydrophobicContact CG-CG2 3.42Å; Y531-I827 VanDerWaalsContact CG-CG2 3.42Å; Y531-R828 HydrophobicContact CE2-CG 4.35Å; Y531-R828 WeakPolarHBondContact OH-CG 3.29Å; Y531-S831 WeakPolarHBondContact CD1-OG 3.48Å; Y531-S831 WeakPolarHBondContact CE1-OG 3.41Å; Y531-T893 HydrophobicContact CE1-CG2 4.21Å; Y531-T893 WeakPolarHBondContact OH-CG2 3.31Å; Y531-E897 WeakPolarHBondContact CE2-OE1 3.43Å; Y531-E897 PolarHBondContact OH-OE1 3.07Å; Y531-P952 HydrophobicContact CD2-CG 4.45Å |
| 532 | L | 85 | Confident | 82.5 | Confident | 10 Ų | 10 | 22.3 Ų | 22.3 | 5% | 0.052 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -57.1 | -32 | 176.4 | -62.8 | 175.4 | 0 | 0 | 0 | 111.6 | F530 L534 D535 M538 M542 Y901 P952 | F530-L532 VanDerWaalsContact C-N 3.34Å; F530-L532 HydrophobicContact CD1-CD1 3.8Å; F530-L532 HydrophobicContact CD1-CG 3.61Å; F530-L532 HydrophobicContact CE1-CD1 4.06Å; F530-L532 HydrophobicContact CE1-CD2 4.26Å; F530-L532 HydrophobicContact CE1-CG 3.83Å; F530-L532 PolarHBondContact O-N 3.41Å; L532-L534 PolarHBondContact O-N 3.47Å; L532-D535 PolarHBondContact O-N 3.03Å; L532-M538 HydrophobicContact CB-CG 4.28Å; L532-M538 HydrophobicContact CD1-CE 4.38Å; L532-M538 HydrophobicContact CD2-CE 4.4Å; L532-M542 HydrophobicContact CB-SD 4.26Å; L532-M542 HydrophobicContact CD1-CE 4.4Å; L532-Y901 HydrophobicContact CD2-CE1 4.04Å; L532-Y901 VanDerWaalsContact CD2-OH 3.25Å; L532-Y901 WeakPolarHBondContact CD2-OH 3.39Å; L532-P952 HydrophobicContact CD2-CB 3.73Å; L532-P952 HydrophobicContact CD2-CG 3.99Å |
| 533 | A | 82.3 | Confident | 82.6 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 3% | 0.033 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -74.2 | 8.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | F524 Q527 Y531 | F524-A533 WeakPolarHBondContact O-CB 3.34Å; Q527-A533 HydrophobicContact CG-CB 3.85Å; Q527-A533 PolarHBondContact NE2-O 2.76Å; Y531-A533 PolarHBondContact O-N 3.06Å |
| 534 | L | 85.4 | Confident | 83 | Confident | 27 Ų | 27 | 24.9 Ų | 24.9 | 14% | 0.141 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -97.1 | -16.1 | 168.8 | -58 | -178.9 | 0 | 0 | 0 | 112.5 | Y531 L532 W824 I827 | Y531-L534 WeakPolarHBondContact O-CB 3.47Å; Y531-L534 PolarHBondContact O-N 3.46Å; L532-L534 PolarHBondContact O-N 3.47Å; L534-W824 HydrophobicContact CB-CH2 3.98Å; L534-W824 HydrophobicContact CB-CZ3 4.1Å; L534-I827 HydrophobicContact CD1-CD1 4.24Å |
| 535 | D | 89.7 | Confident | 83.2 | Confident | 11 Ų | 11 | 24.7 Ų | 24.7 | 6% | 0.059 | 12% | 0.117 | C | C | . | . | trans | -96 | 105 | 176.3 | -179.2 | -22.4 | 0 | 0 | 0 | 109.7 | L532 Q537 M538 I539 W824 S951 P952 S953 | L532-D535 PolarHBondContact O-N 3.03Å; D535-Q537 PolarHBondContact O-N 3.06Å; D535-Q537 WeakPolarHBondContact OD1-CA 3.39Å; D535-Q537 WeakPolarHBondContact OD1-CB 3.38Å; D535-Q537 PolarHBondContact OD1-N 3.16Å; D535-M538 HydrophobicContact CB-CB 3.71Å; D535-M538 WeakPolarHBondContact O-CA 3.44Å; D535-M538 WeakPolarHBondContact O-CB 3.22Å; D535-M538 PolarHBondContact O-N 3.48Å; D535-M538 PolarHBondContact OD1-N 2.94Å; D535-I539 PolarHBondContact O-N 3.42Å; D535-W824 HydrophobicContact CB-CH2 3.78Å; D535-W824 HydrophobicContact CB-CZ2 4.25Å; D535-S951 WeakPolarHBondContact OD2-CB 3.4Å; D535-S951 PolarHBondContact OD2-OG 2.79Å; D535-P952 HydrophobicContact CB-CB 4.21Å; D535-P952 HydrophobicContact CB-CG 4.06Å; D535-S953 PolarHBondContact OD1-OG 3.45Å; D535-S953 WeakPolarHBondContact OD2-CB 3.43Å; D535-S953 PolarHBondContact OD2-N 3.49Å; D535-S953 PolarHBondContact OD2-OG 2.92Å | ||
| 536 | N | 90.3 | Very high | 83.6 | Confident | 7 Ų | 7 | 24.8 Ų | 24.8 | 4% | 0.037 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.6 | -24.1 | 179.9 | -77.8 | -37.1 | 0 | 0 | 0 | 113.9 | V540 T569 M570 N579 I582 | N536-V540 VanDerWaalsContact O-CG2 3.27Å; N536-V540 WeakPolarHBondContact O-CG2 3.4Å; N536-V540 PolarHBondContact O-N 3.27Å; N536-T569 PolarHBondContact ND2-O 2.74Å; N536-T569 PolarHBondContact OD1-O 3.37Å; N536-M570 WeakPolarHBondContact OD1-CA 3.48Å; N536-N579 HydrophobicContact CB-CB 4.39Å; N536-I582 HydrophobicContact CB-CD1 4.17Å; N536-I582 HydrophobicContact CB-CG1 4.06Å |
| 537 | Q | 91.7 | Very high | 84.6 | Confident | 92 Ų | 92 | 24 Ų | 24 | 43% | 0.43 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -80.1 | -31.1 | 172.5 | -177.7 | 171.1 | -17.4 | 0 | 0 | 111.7 | D535 E541 | D535-Q537 PolarHBondContact O-N 3.06Å; D535-Q537 WeakPolarHBondContact OD1-CA 3.39Å; D535-Q537 WeakPolarHBondContact OD1-CB 3.38Å; D535-Q537 PolarHBondContact OD1-N 3.16Å; Q537-E541 PolarHBondContact O-N 2.84Å |
| 538 | M | 90.1 | Very high | 85.8 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.7 | -44.1 | 171.7 | -170.6 | 63.1 | -175.7 | 0 | 0 | 111.8 | L532 D535 V540 E541 M542 Y901 M904 P952 K956 | L532-M538 HydrophobicContact CB-CG 4.28Å; L532-M538 HydrophobicContact CD1-CE 4.38Å; L532-M538 HydrophobicContact CD2-CE 4.4Å; D535-M538 HydrophobicContact CB-CB 3.71Å; D535-M538 WeakPolarHBondContact O-CA 3.44Å; D535-M538 WeakPolarHBondContact O-CB 3.22Å; D535-M538 PolarHBondContact O-N 3.48Å; D535-M538 PolarHBondContact OD1-N 2.94Å; M538-V540 VanDerWaalsContact C-N 3.27Å; M538-V540 PolarHBondContact O-N 2.97Å; M538-E541 CarbonylContact O-C 3.59Å; M538-E541 WeakPolarHBondContact O-CA 3.4Å; M538-E541 WeakPolarHBondContact O-CB 3.23Å; M538-E541 PolarHBondContact O-N 3.45Å; M538-M542 HydrophobicContact CE-CG 3.84Å; M538-M542 HydrophobicContact CE-SD 3.86Å; M538-M542 HydrophobicContact CG-CG 4.32Å; M538-M542 HydrophobicContact CG-SD 4.04Å; M538-M542 WeakPolarHBondContact O-CG 3.48Å; M538-M542 PolarHBondContact O-N 3.03Å; M538-M542 HydrophobicContact SD-CG 4.5Å; M538-Y901 HydrophobicContact CE-CD1 3.99Å; M538-Y901 HydrophobicContact CE-CE1 3.57Å; M538-Y901 HydrophobicContact SD-CE1 4.35Å; M538-M904 HydrophobicContact CE-CE 3.93Å; M538-M904 HydrophobicContact CE-SD 3.61Å; M538-P952 HydrophobicContact CB-CB 4.19Å; M538-P952 HydrophobicContact CG-CB 4.09Å; M538-P952 HydrophobicContact SD-CB 4.48Å; M538-K956 HydrophobicContact CE-CD 4.1Å; M538-K956 HydrophobicContact SD-CD 3.88Å |
| 539 | I | 90.9 | Very high | 87.1 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -51.9 | -47.7 | 172.9 | -68.2 | 174.1 | 0 | 0 | 0 | 110.8 | F524 D535 E541 M542 L543 F564 M570 I582 | F524-I539 HydrophobicContact CE2-CG2 4.24Å; D535-I539 PolarHBondContact O-N 3.42Å; I539-E541 VanDerWaalsContact C-N 3.27Å; I539-E541 PolarHBondContact O-N 3.25Å; I539-M542 PolarHBondContact O-N 2.97Å; I539-L543 WeakPolarHBondContact O-CB 3.29Å; I539-L543 PolarHBondContact O-N 3.44Å; I539-F564 HydrophobicContact CG2-CE2 4.37Å; I539-F564 HydrophobicContact CG2-CZ 3.96Å; I539-M570 HydrophobicContact CD1-CE 4.33Å; I539-M570 HydrophobicContact CG2-CE 4.38Å; I539-I582 HydrophobicContact CG2-CD1 4.18Å |
| 540 | V | 92.3 | Very high | 88.4 | Confident | 10 Ų | 10 | 20.1 Ų | 20.1 | 6% | 0.061 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.2 | -29.5 | 178.6 | 166.6 | 0 | 0 | 0 | 0 | 112.7 | N536 M538 R544 I582 A585 F594 | N536-V540 VanDerWaalsContact O-CG2 3.27Å; N536-V540 WeakPolarHBondContact O-CG2 3.4Å; N536-V540 PolarHBondContact O-N 3.27Å; M538-V540 VanDerWaalsContact C-N 3.27Å; M538-V540 PolarHBondContact O-N 2.97Å; V540-R544 VanDerWaalsContact CG1-NH2 3.33Å; V540-R544 WeakPolarHBondContact O-CB 3.35Å; V540-R544 PolarHBondContact O-N 3.43Å; V540-I582 HydrophobicContact CG2-CD1 3.82Å; V540-A585 HydrophobicContact CG1-CB 3.92Å; V540-A585 HydrophobicContact CG2-CB 3.9Å; V540-F594 HydrophobicContact CG1-CZ 4.04Å |
| 541 | E | 88.9 | Confident | 89.2 | Confident | 38 Ų | 38 | 21.5 Ų | 21.5 | 18% | 0.178 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -83.3 | -33.3 | 177.4 | 179.1 | 68.4 | 169.9 | 0 | 0 | 112.9 | Q537 M538 I539 R544 T545 M904 K956 | Q537-E541 PolarHBondContact O-N 2.84Å; M538-E541 CarbonylContact O-C 3.59Å; M538-E541 WeakPolarHBondContact O-CA 3.4Å; M538-E541 WeakPolarHBondContact O-CB 3.23Å; M538-E541 PolarHBondContact O-N 3.45Å; I539-E541 VanDerWaalsContact C-N 3.27Å; I539-E541 PolarHBondContact O-N 3.25Å; E541-R544 WeakPolarHBondContact O-CB 3.49Å; E541-R544 WeakPolarHBondContact OE2-CD 3.5Å; E541-R544 IonicContact OE2-CZ 2.64Å; E541-R544 IonicContact OE2-NE 3.35Å; E541-R544 IonicContact OE2-NH1 3.71Å; E541-R544 PolarHBondContact OE2-NH1 3.34Å; E541-T545 WeakPolarHBondContact O-CB 3.43Å; E541-T545 PolarHBondContact O-N 3.17Å; E541-T545 PolarHBondContact O-OG1 3.26Å; E541-M904 HydrophobicContact CG-CE 4.28Å; E541-K956 HydrophobicContact CG-CD 4.33Å; E541-K956 IonicContact OE1-NZ 2.82Å; E541-K956 PolarHBondContact OE1-NZ 3.46Å |
| 542 | M | 89.6 | Confident | 89.3 | Confident | 24 Ų | 24 | 24.3 Ų | 24.3 | 12% | 0.118 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.9 | -50.3 | 172.7 | -65.8 | 179.3 | 86 | 0 | 0 | 110.2 | F524 L532 M538 I539 R544 T545 D546 M904 | F524-M542 HydrophobicContact CB-CB 4.33Å; F524-M542 HydrophobicContact CB-CE 3.45Å; F524-M542 VanDerWaalsContact CB-CE 3.45Å; F524-M542 HydrophobicContact CB-SD 3.95Å; F524-M542 HydrophobicContact CD1-CB 4.18Å; F524-M542 HydrophobicContact CD2-CB 3.9Å; F524-M542 HydrophobicContact CE1-CB 4.5Å; F524-M542 HydrophobicContact CE2-CB 4.26Å; F524-M542 HydrophobicContact CG-CB 3.89Å; F524-M542 HydrophobicContact CG-CE 4.34Å; F524-M542 HydrophobicContact CG-SD 4.45Å; L532-M542 HydrophobicContact CB-SD 4.26Å; L532-M542 HydrophobicContact CD1-CE 4.4Å; M538-M542 HydrophobicContact CE-CG 3.84Å; M538-M542 HydrophobicContact CE-SD 3.86Å; M538-M542 HydrophobicContact CG-CG 4.32Å; M538-M542 HydrophobicContact CG-SD 4.04Å; M538-M542 WeakPolarHBondContact O-CG 3.48Å; M538-M542 PolarHBondContact O-N 3.03Å; M538-M542 HydrophobicContact SD-CG 4.5Å; I539-M542 PolarHBondContact O-N 2.97Å; M542-R544 VanDerWaalsContact C-N 3.25Å; M542-R544 PolarHBondContact O-N 2.96Å; M542-T545 WeakPolarHBondContact O-CB 3.4Å; M542-T545 PolarHBondContact O-N 3.01Å; M542-D546 WeakPolarHBondContact O-CB 3.3Å; M542-D546 PolarHBondContact O-N 3.07Å; M542-M904 HydrophobicContact CG-CE 3.84Å |
| 543 | L | 91.7 | Very high | 89.4 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.4 | -41.6 | 172.1 | 179.8 | 62 | 0 | 0 | 0 | 112 | F524 I539 D546 L547 I562 F564 M589 | F524-L543 HydrophobicContact CE2-CB 4.33Å; F524-L543 HydrophobicContact CZ-CB 3.77Å; F524-L543 HydrophobicContact CZ-CD1 4.19Å; I539-L543 WeakPolarHBondContact O-CB 3.29Å; I539-L543 PolarHBondContact O-N 3.44Å; L543-D546 PolarHBondContact O-N 3.44Å; L543-L547 HydrophobicContact CD1-CD1 3.94Å; L543-L547 HydrophobicContact CD1-CG 4.16Å; L543-L547 HydrophobicContact CG-CD1 3.8Å; L543-L547 HydrophobicContact CG-CG 4.46Å; L543-L547 WeakPolarHBondContact O-CB 3.5Å; L543-L547 WeakPolarHBondContact O-CD1 3.23Å; L543-L547 WeakPolarHBondContact O-CG 3.33Å; L543-L547 PolarHBondContact O-N 3.25Å; L543-I562 HydrophobicContact CD1-CD1 4.37Å; L543-F564 HydrophobicContact CD1-CD2 4.05Å; L543-F564 HydrophobicContact CD1-CE2 4.26Å; L543-F564 HydrophobicContact CD2-CD2 4.14Å; L543-F564 HydrophobicContact CD2-CE1 4.3Å; L543-F564 HydrophobicContact CD2-CE2 3.86Å; L543-F564 HydrophobicContact CD2-CZ 3.96Å; L543-F564 HydrophobicContact CG-CE2 4.44Å; L543-M589 HydrophobicContact CD2-CE 3.99Å; L543-M589 HydrophobicContact CD2-SD 4.1Å |
| 544 | R | 91.4 | Very high | 89.8 | Confident | 81 Ų | 81 | 26.7 Ų | 26.7 | 31% | 0.306 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 175.1 | -179.6 | 177.9 | -62.8 | 124.5 | 7.7 | 112.7 | V540 E541 M542 S548 F594 | V540-R544 VanDerWaalsContact CG1-NH2 3.33Å; V540-R544 WeakPolarHBondContact O-CB 3.35Å; V540-R544 PolarHBondContact O-N 3.43Å; E541-R544 WeakPolarHBondContact O-CB 3.49Å; E541-R544 WeakPolarHBondContact OE2-CD 3.5Å; E541-R544 IonicContact OE2-CZ 2.64Å; E541-R544 IonicContact OE2-NE 3.35Å; E541-R544 IonicContact OE2-NH1 3.71Å; E541-R544 PolarHBondContact OE2-NH1 3.34Å; M542-R544 VanDerWaalsContact C-N 3.25Å; M542-R544 PolarHBondContact O-N 2.96Å; R544-S548 WeakPolarHBondContact O-CB 3.39Å; R544-S548 PolarHBondContact O-N 2.88Å; R544-F594 HydrophobicContact CB-CD1 4.49Å; R544-F594 HydrophobicContact CB-CE1 3.65Å; R544-F594 HydrophobicContact CB-CZ 4.11Å; R544-F594 HydrophobicContact CG-CE1 4.15Å; R544-F594 VanDerWaalsContact NH2-CZ 3.27Å |
| 545 | T | 88.6 | Confident | 89.7 | Confident | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 179 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | E541 M542 S548 Y549 T908 | E541-T545 WeakPolarHBondContact O-CB 3.43Å; E541-T545 PolarHBondContact O-N 3.17Å; E541-T545 PolarHBondContact O-OG1 3.26Å; M542-T545 WeakPolarHBondContact O-CB 3.4Å; M542-T545 PolarHBondContact O-N 3.01Å; T545-S548 WeakPolarHBondContact O-CB 3.49Å; T545-S548 PolarHBondContact O-N 3.03Å; T545-Y549 WeakPolarHBondContact O-CB 3.46Å; T545-Y549 PolarHBondContact O-N 3.45Å; T545-T908 HydrophobicContact CG2-CG2 3.87Å |
| 546 | D | 89.9 | Confident | 89.6 | Confident | 26 Ų | 26 | 30.7 Ų | 30.7 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.8 | -42.8 | -177.6 | -79.5 | 9.5 | 0 | 0 | 0 | 112.4 | V504 F524 M542 L543 S548 Y549 L550 | V504-D546 HydrophobicContact CG2-CB 3.77Å; F524-D546 WeakPolarHBondContact CD1-OD2 3.42Å; F524-D546 VanDerWaalsContact CE1-OD2 3.29Å; F524-D546 WeakPolarHBondContact CE1-OD2 3.46Å; M542-D546 WeakPolarHBondContact O-CB 3.3Å; M542-D546 PolarHBondContact O-N 3.07Å; L543-D546 PolarHBondContact O-N 3.44Å; D546-S548 VanDerWaalsContact C-N 3.33Å; D546-S548 PolarHBondContact O-N 3.11Å; D546-Y549 PolarHBondContact O-N 3.41Å; D546-L550 WeakPolarHBondContact O-CB 3.48Å; D546-L550 VanDerWaalsContact O-CG 3.29Å; D546-L550 WeakPolarHBondContact O-CG 3.34Å; D546-L550 PolarHBondContact O-N 2.98Å |
| 547 | L | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.7 | -42.8 | 172 | -74.6 | 164.4 | 0 | 0 | 0 | 112 | V440 V442 L543 C551 I562 M589 F594 A597 I599 | V440-L547 HydrophobicContact CB-CD2 3.95Å; V440-L547 HydrophobicContact CG1-CD2 3.64Å; V440-L547 HydrophobicContact CG2-CD2 4.44Å; V442-L547 HydrophobicContact CG2-CD2 3.89Å; L543-L547 HydrophobicContact CD1-CD1 3.94Å; L543-L547 HydrophobicContact CD1-CG 4.16Å; L543-L547 HydrophobicContact CG-CD1 3.8Å; L543-L547 HydrophobicContact CG-CG 4.46Å; L543-L547 WeakPolarHBondContact O-CB 3.5Å; L543-L547 WeakPolarHBondContact O-CD1 3.23Å; L543-L547 WeakPolarHBondContact O-CG 3.33Å; L543-L547 PolarHBondContact O-N 3.25Å; L547-C551 WeakPolarHBondContact O-CB 3.25Å; L547-C551 PolarHBondContact O-N 2.92Å; L547-I562 HydrophobicContact CD2-CD1 3.57Å; L547-I562 HydrophobicContact CG-CD1 4.09Å; L547-M589 HydrophobicContact CD1-SD 4.03Å; L547-F594 HydrophobicContact CD1-CD1 3.67Å; L547-F594 HydrophobicContact CD1-CE1 4.14Å; L547-A597 HydrophobicContact CB-CB 4.23Å; L547-A597 WeakPolarHBondContact O-CB 3.28Å; L547-I599 HydrophobicContact CD1-CD1 3.81Å; L547-I599 HydrophobicContact CD2-CD1 3.97Å; L547-I599 HydrophobicContact CD2-CG1 4.3Å; L547-I599 HydrophobicContact CG-CD1 4.43Å |
| 548 | S | 89.8 | Confident | 89.5 | Confident | 40 Ų | 40 | 33.8 Ų | 33.8 | 28% | 0.28 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 176.4 | -148.4 | 0 | 0 | 0 | 0 | 112.2 | R544 T545 D546 S552 G595 | R544-S548 WeakPolarHBondContact O-CB 3.39Å; R544-S548 PolarHBondContact O-N 2.88Å; T545-S548 WeakPolarHBondContact O-CB 3.49Å; T545-S548 PolarHBondContact O-N 3.03Å; D546-S548 VanDerWaalsContact C-N 3.33Å; D546-S548 PolarHBondContact O-N 3.11Å; S548-S552 WeakPolarHBondContact O-CB 3.33Å; S548-S552 PolarHBondContact O-N 3.33Å; S548-S552 VanDerWaalsContact O-N 3.11Å; S548-S552 PolarHBondContact O-OG 3.36Å; S548-G595 VanDerWaalsContact CB-O 3.23Å; S548-G595 WeakPolarHBondContact CB-O 3.37Å; S548-G595 PolarHBondContact OG-O 2.99Å |
| 549 | Y | 88.1 | Confident | 89.7 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 13% | 0.129 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.7 | -46.8 | 177.4 | -172.5 | -89 | 0 | 0 | 0 | 111.1 | V504 L505 T545 D546 C551 S552 R553 | V504-Y549 HydrophobicContact CG1-CD1 3.43Å; V504-Y549 VanDerWaalsContact CG1-CD1 3.43Å; V504-Y549 HydrophobicContact CG1-CE1 3.82Å; V504-Y549 HydrophobicContact CG1-CG 4.38Å; L505-Y549 HydrophobicContact CD1-CE1 4.02Å; L505-Y549 HydrophobicContact CD2-CD1 4.08Å; L505-Y549 HydrophobicContact CD2-CE1 3.85Å; L505-Y549 HydrophobicContact CG-CE1 3.92Å; T545-Y549 WeakPolarHBondContact O-CB 3.46Å; T545-Y549 PolarHBondContact O-N 3.45Å; D546-Y549 PolarHBondContact O-N 3.41Å; Y549-C551 PolarHBondContact O-N 2.78Å; Y549-S552 PolarHBondContact O-N 3.41Å; Y549-S552 PolarHBondContact O-OG 2.61Å; Y549-R553 HydrophobicContact CD1-CB 4.22Å; Y549-R553 HydrophobicContact CD1-CG 4.23Å; Y549-R553 HydrophobicContact CD2-CG 4.02Å; Y549-R553 HydrophobicContact CE1-CB 4.02Å; Y549-R553 HydrophobicContact CE1-CG 4.09Å; Y549-R553 HydrophobicContact CE2-CG 3.88Å; Y549-R553 HydrophobicContact CG-CG 4.2Å; Y549-R553 WeakPolarHBondContact O-CA 3.43Å; Y549-R553 WeakPolarHBondContact O-CB 3.3Å; Y549-R553 WeakPolarHBondContact O-CG 3.41Å; Y549-R553 PolarHBondContact O-N 2.88Å |
| 550 | L | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.3 | -51.5 | 173.6 | -72.3 | 162.2 | 0 | 0 | 0 | 111.4 | V440 V504 L505 S508 D546 S552 R553 W554 P560 I562 | V440-L550 HydrophobicContact CG1-CD1 4.03Å; V440-L550 HydrophobicContact CG2-CB 4.06Å; V504-L550 HydrophobicContact CG2-CD1 3.79Å; V504-L550 HydrophobicContact CG2-CD2 4.13Å; V504-L550 HydrophobicContact CG2-CG 3.87Å; L505-L550 HydrophobicContact CD2-CD2 3.8Å; S508-L550 WeakPolarHBondContact OG-CD1 3.35Å; D546-L550 WeakPolarHBondContact O-CB 3.48Å; D546-L550 VanDerWaalsContact O-CG 3.29Å; D546-L550 WeakPolarHBondContact O-CG 3.34Å; D546-L550 PolarHBondContact O-N 2.98Å; L550-S552 PolarHBondContact O-N 3.15Å; L550-S552 VanDerWaalsContact O-N 3.15Å; L550-R553 PolarHBondContact O-N 2.97Å; L550-W554 HydrophobicContact CD2-CE3 3.66Å; L550-W554 HydrophobicContact CD2-CZ3 3.81Å; L550-W554 WeakPolarHBondContact O-CB 3.3Å; L550-W554 PolarHBondContact O-N 3.25Å; L550-P560 HydrophobicContact CB-CB 4.45Å; L550-P560 HydrophobicContact CB-CG 4.39Å; L550-P560 HydrophobicContact CD2-CB 3.84Å; L550-I562 HydrophobicContact CD1-CD1 3.58Å; L550-I562 HydrophobicContact CD1-CG1 3.89Å |
| 551 | C | 90.8 | Very high | 90.2 | Very high | 34 Ų | 34 | 35.6 Ų | 35.6 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.7 | -28.4 | -178.8 | -167.8 | 0 | 0 | 0 | 0 | 113.6 | V440 L547 Y549 A597 | V440-C551 HydrophobicContact CG2-CB 4.31Å; L547-C551 WeakPolarHBondContact O-CB 3.25Å; L547-C551 PolarHBondContact O-N 2.92Å; Y549-C551 PolarHBondContact O-N 2.78Å; C551-A597 HydrophobicContact CB-CB 3.6Å |
| 552 | S | 85.3 | Confident | 90.6 | Very high | 60 Ų | 60 | 34 Ų | 34 | 42% | 0.42 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -95.5 | -28.1 | -179.8 | 56.8 | 0 | 0 | 0 | 0 | 114.5 | S548 Y549 L550 R555 | S548-S552 WeakPolarHBondContact O-CB 3.33Å; S548-S552 PolarHBondContact O-N 3.33Å; S548-S552 VanDerWaalsContact O-N 3.11Å; S548-S552 PolarHBondContact O-OG 3.36Å; Y549-S552 PolarHBondContact O-N 3.41Å; Y549-S552 PolarHBondContact O-OG 2.61Å; L550-S552 PolarHBondContact O-N 3.15Å; L550-S552 VanDerWaalsContact O-N 3.15Å; S552-R555 PolarHBondContact O-NH1 2.72Å; S552-R555 PolarHBondContact O-NH2 3.45Å |
| 553 | R | 87.1 | Confident | 90.8 | Very high | 54 Ų | 54 | 32.8 Ų | 32.8 | 20% | 0.204 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -114.6 | -7 | -172 | -55.2 | -58 | -180 | 153.6 | 0 | 115.2 | Q236 Y549 L550 R555 | Q236-R553 HydrophobicContact CG-CB 4.39Å; Y549-R553 HydrophobicContact CD1-CB 4.22Å; Y549-R553 HydrophobicContact CD1-CG 4.23Å; Y549-R553 HydrophobicContact CD2-CG 4.02Å; Y549-R553 HydrophobicContact CE1-CB 4.02Å; Y549-R553 HydrophobicContact CE1-CG 4.09Å; Y549-R553 HydrophobicContact CE2-CG 3.88Å; Y549-R553 HydrophobicContact CG-CG 4.2Å; Y549-R553 WeakPolarHBondContact O-CA 3.43Å; Y549-R553 WeakPolarHBondContact O-CB 3.3Å; Y549-R553 WeakPolarHBondContact O-CG 3.41Å; Y549-R553 PolarHBondContact O-N 2.88Å; L550-R553 PolarHBondContact O-N 2.97Å; R553-R555 PolarHBondContact O-N 3.08Å |
| 554 | W | 90.6 | Very high | 90.9 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 4% | 0.038 | 18% | 0.177 | C | C | . | . | trans | -66.8 | 131.9 | 173.9 | -162.8 | -101.4 | 0 | 0 | 0 | 111 | V438 L505 S508 K509 L550 M556 G558 P560 C612 | V438-W554 HydrophobicContact CG1-CB 4.09Å; V438-W554 HydrophobicContact CG1-CG 4.5Å; V438-W554 HydrophobicContact CG2-CB 4.11Å; L505-W554 HydrophobicContact CB-CZ3 4.4Å; L505-W554 HydrophobicContact CD2-CE3 3.94Å; L505-W554 HydrophobicContact CD2-CZ3 4.35Å; L505-W554 WeakPolarHBondContact O-CZ3 3.45Å; S508-W554 WeakPolarHBondContact O-CH2 3.49Å; K509-W554 HydrophobicContact CG-CH2 3.88Å; L550-W554 HydrophobicContact CD2-CE3 3.66Å; L550-W554 HydrophobicContact CD2-CZ3 3.81Å; L550-W554 WeakPolarHBondContact O-CB 3.3Å; L550-W554 PolarHBondContact O-N 3.25Å; W554-M556 HydrophobicContact CZ2-CB 4.43Å; W554-G558 PolarHBondContact NE1-O 2.86Å; W554-P560 HydrophobicContact CB-CG 4.37Å; W554-P560 HydrophobicContact CD2-CB 3.71Å; W554-P560 HydrophobicContact CD2-CG 3.94Å; W554-P560 HydrophobicContact CE3-CB 3.71Å; W554-P560 HydrophobicContact CE3-CG 4.33Å; W554-P560 HydrophobicContact CG-CB 4.3Å; W554-P560 HydrophobicContact CG-CG 3.98Å; W554-P560 HydrophobicContact CH2-CB 3.87Å; W554-P560 HydrophobicContact CZ2-CB 3.87Å; W554-P560 HydrophobicContact CZ3-CB 3.8Å; W554-C612 HydrophobicContact CH2-CB 4.29Å; W554-C612 HydrophobicContact CZ2-CB 3.52Å | ||
| 555 | R | 82.7 | Confident | 91 | Very high | 75 Ų | 75 | 29.8 Ų | 29.8 | 28% | 0.283 | 17% | 0.167 | S | C | . | . | trans | -137.7 | -3.8 | -174 | -67.8 | -60.4 | -180 | -88 | -5.3 | 114.3 | E271 K435 S552 R553 | E271-R555 VanDerWaalsContact CD-NE 3.28Å; E271-R555 WeakPolarHBondContact OE1-CD 3.46Å; E271-R555 WeakPolarHBondContact OE1-CG 3.36Å; E271-R555 IonicContact OE1-NE 2.76Å; E271-R555 PolarHBondContact OE1-NE 2.92Å; E271-R555 VanDerWaalsContact OE1-NE 3.12Å; E271-R555 IonicContact OE2-CZ 2.66Å; E271-R555 VanDerWaalsContact OE2-CZ 3.23Å; E271-R555 IonicContact OE2-NE 3.14Å; E271-R555 PolarHBondContact OE2-NE 2.87Å; E271-R555 IonicContact OE2-NH2 2.68Å; E271-R555 PolarHBondContact OE2-NH2 2.95Å; K435-R555 PolarHBondContact NZ-O 2.81Å; S552-R555 PolarHBondContact O-NH1 2.72Å; S552-R555 PolarHBondContact O-NH2 3.45Å; R553-R555 PolarHBondContact O-N 3.08Å | ||
| 556 | M | 87.5 | Confident | 91.1 | Very high | 47 Ų | 47 | 29.5 Ų | 29.5 | 23% | 0.232 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -86.2 | 168.7 | -174.7 | -61 | -166.9 | 69.9 | 0 | 0 | 112.4 | A232 K509 W554 | A232-M556 HydrophobicContact CB-SD 4.14Å; K509-M556 WeakPolarHBondContact CE-SD 3.41Å; K509-M556 PolarHBondContact NZ-SD 2.88Å; W554-M556 HydrophobicContact CZ2-CB 4.43Å |
| 557 | T | 88.3 | Confident | 91 | Very high | 132 Ų | 132 | 29 Ų | 29 | 81% | 0.81 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -75.6 | 133.2 | 174.6 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | C612 | T557-C612 WeakPolarHBondContact O-CA 3.46Å; T557-C612 VanDerWaalsContact O-CB 3.28Å; T557-C612 WeakPolarHBondContact O-CB 3.24Å; T557-C612 PolarHBondContact O-SG 3.44Å |
| 558 | G | 92 | Very high | 90.6 | Very high | 32 Ų | 32 | 34.8 Ų | 34.8 | 33% | 0.33 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 84.4 | 160.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W554 T610 | W554-G558 PolarHBondContact NE1-O 2.86Å; G558-T610 CarbonylContact C-O 3.57Å; G558-T610 WeakPolarHBondContact CA-O 3.15Å |
| 559 | Q | 94.1 | Very high | 90.3 | Very high | 54 Ų | 54 | 35.2 Ų | 35.2 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | B | Isolated β-bridge | trans | -80.5 | 148.9 | -177.8 | -63.5 | -65.8 | -0.9 | 0 | 0 | 111.7 | V439 Q441 T561 T610 S611 C612 | V439-Q559 PolarHBondContact O-OE1 3.42Å; V439-Q559 VanDerWaalsContact O-OE1 3.13Å; Q441-Q559 HydrophobicContact CG-CB 3.98Å; Q559-T561 PolarHBondContact O-OG1 2.98Å; Q559-T610 PolarHBondContact N-O 2.87Å; Q559-S611 WeakPolarHBondContact O-CA 3.5Å; Q559-C612 PolarHBondContact O-N 3.25Å |
| 560 | P | 96.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -66.5 | 133.9 | 170.1 | 23.6 | -25.7 | 0 | 0 | 0 | 110.1 | V438 V440 Q441 L550 W554 | V438-P560 HydrophobicContact CG1-CG 3.68Å; V440-P560 HydrophobicContact CB-CG 4.32Å; V440-P560 HydrophobicContact CG1-CB 4.31Å; V440-P560 HydrophobicContact CG1-CG 4.1Å; V440-P560 HydrophobicContact CG2-CG 4.04Å; Q441-P560 PolarHBondContact N-O 3.15Å; L550-P560 HydrophobicContact CB-CB 4.45Å; L550-P560 HydrophobicContact CB-CG 4.39Å; L550-P560 HydrophobicContact CD2-CB 3.84Å; W554-P560 HydrophobicContact CB-CG 4.37Å; W554-P560 HydrophobicContact CD2-CB 3.71Å; W554-P560 HydrophobicContact CD2-CG 3.94Å; W554-P560 HydrophobicContact CE3-CB 3.71Å; W554-P560 HydrophobicContact CE3-CG 4.33Å; W554-P560 HydrophobicContact CG-CB 4.3Å; W554-P560 HydrophobicContact CG-CG 3.98Å; W554-P560 HydrophobicContact CH2-CB 3.87Å; W554-P560 HydrophobicContact CZ2-CB 3.87Å; W554-P560 HydrophobicContact CZ3-CB 3.8Å | ||
| 561 | T | 96.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 109.6 | -175.6 | -55 | 0 | 0 | 0 | 0 | 110.4 | Q441 S508 Q559 L604 F607 S611 | Q441-T561 HydrophobicContact CB-CG2 4.33Å; Q441-T561 CarbonylContact O-C 3.45Å; Q441-T561 WeakPolarHBondContact O-CA 3.37Å; S508-T561 CarbonylContact C-O 3.54Å; S508-T561 VanDerWaalsContact C-O 3.29Å; S508-T561 VanDerWaalsContact CA-O 3.31Å; S508-T561 WeakPolarHBondContact CA-O 3.11Å; S508-T561 PolarHBondContact O-N 3.26Å; Q559-T561 PolarHBondContact O-OG1 2.98Å; T561-L604 HydrophobicContact CG2-CD2 3.99Å; T561-F607 HydrophobicContact CG2-CB 4.39Å; T561-F607 HydrophobicContact CG2-CD2 4.11Å; T561-S611 VanDerWaalsContact OG1-CB 3.28Å; T561-S611 WeakPolarHBondContact OG1-CB 3.47Å; T561-S611 PolarHBondContact OG1-OG 2.83Å |
| 562 | I | 96.4 | Very high | 89.9 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 131.2 | 177.4 | -55.7 | -178.8 | 0 | 0 | 0 | 109.9 | V440 Q441 V442 S443 P522 L543 L547 L550 F564 | V440-I562 HydrophobicContact CG1-CD1 4.03Å; V440-I562 HydrophobicContact CG1-CG1 4.12Å; Q441-I562 PolarHBondContact O-N 3.3Å; V442-I562 HydrophobicContact CG2-CB 4.47Å; S443-I562 PolarHBondContact N-O 2.63Å; P522-I562 HydrophobicContact CG-CG2 3.64Å; L543-I562 HydrophobicContact CD1-CD1 4.37Å; L547-I562 HydrophobicContact CD2-CD1 3.57Å; L547-I562 HydrophobicContact CG-CD1 4.09Å; L550-I562 HydrophobicContact CD1-CD1 3.58Å; L550-I562 HydrophobicContact CD1-CG1 3.89Å; I562-F564 HydrophobicContact CG2-CB 4.35Å |
| 563 | T | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 105.8 | 167.6 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | L445 V473 T519 P522 P565 L604 | L445-T563 HydrophobicContact CD1-CG2 3.54Å; L445-T563 HydrophobicContact CG-CG2 4.27Å; V473-T563 HydrophobicContact CG1-CG2 3.85Å; V473-T563 HydrophobicContact CG2-CG2 4.15Å; T519-T563 HydrophobicContact CG2-CG2 4.13Å; T519-T563 WeakPolarHBondContact CG2-OG1 3.1Å; T519-T563 PolarHBondContact OG1-OG1 2.86Å; P522-T563 WeakPolarHBondContact CD-O 3.34Å; T563-P565 WeakPolarHBondContact O-CD 3.44Å; T563-L604 HydrophobicContact CG2-CD1 4.06Å |
| 564 | F | 94.3 | Very high | 88.7 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 98.2 | -173.4 | -169.5 | -101.3 | 0 | 0 | 0 | 111.2 | V442 S443 I444 L445 F524 I525 I539 L543 I562 I566 M570 L586 | V442-F564 HydrophobicContact CG1-CB 4.44Å; S443-F564 PolarHBondContact O-N 3.05Å; I444-F564 WeakPolarHBondContact CA-O 3.47Å; L445-F564 PolarHBondContact N-O 3.21Å; F524-F564 HydrophobicContact CE2-CE2 4.11Å; F524-F564 HydrophobicContact CZ-CE2 4.13Å; I525-F564 HydrophobicContact CD1-CD2 3.62Å; I525-F564 HydrophobicContact CD1-CE2 3.63Å; I525-F564 HydrophobicContact CG1-CE2 4.4Å; I539-F564 HydrophobicContact CG2-CE2 4.37Å; I539-F564 HydrophobicContact CG2-CZ 3.96Å; L543-F564 HydrophobicContact CD1-CD2 4.05Å; L543-F564 HydrophobicContact CD1-CE2 4.26Å; L543-F564 HydrophobicContact CD2-CD2 4.14Å; L543-F564 HydrophobicContact CD2-CE1 4.3Å; L543-F564 HydrophobicContact CD2-CE2 3.86Å; L543-F564 HydrophobicContact CD2-CZ 3.96Å; L543-F564 HydrophobicContact CG-CE2 4.44Å; I562-F564 HydrophobicContact CG2-CB 4.35Å; F564-I566 HydrophobicContact CD1-CD1 3.79Å; F564-I566 HydrophobicContact CE1-CD1 3.53Å; F564-M570 HydrophobicContact CE1-SD 4.26Å; F564-M570 HydrophobicContact CZ-CE 4.14Å; F564-M570 HydrophobicContact CZ-SD 4.25Å; F564-L586 HydrophobicContact CE1-CD2 4.47Å |
| 565 | P | 92.4 | Very high | 88.1 | Confident | 15 Ų | 15 | 44 Ų | 44 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 138 | 176.6 | 32.5 | -36 | 0 | 0 | 0 | 111.8 | L445 I465 T521 I525 T563 M570 | L445-P565 CarbonylContact O-C 3.5Å; L445-P565 WeakPolarHBondContact O-CA 3.34Å; I465-P565 HydrophobicContact CD1-CB 4.12Å; T521-P565 HydrophobicContact CG2-CG 3.94Å; I525-P565 HydrophobicContact CD1-CG 4.35Å; I525-P565 HydrophobicContact CG2-CG 4.34Å; T563-P565 WeakPolarHBondContact O-CD 3.44Å; P565-M570 WeakPolarHBondContact O-CE 3.36Å |
| 566 | I | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116.4 | 167.1 | -52.8 | -57.9 | 0 | 0 | 0 | 108.2 | I444 L445 E447 I451 L455 F564 M570 L578 I582 L586 | I444-I566 HydrophobicContact CG2-CD1 4.13Å; I444-I566 HydrophobicContact CG2-CG1 3.71Å; L445-I566 PolarHBondContact O-N 3.05Å; E447-I566 VanDerWaalsContact CB-O 3.27Å; E447-I566 WeakPolarHBondContact CB-O 3.44Å; E447-I566 PolarHBondContact N-O 3.32Å; I451-I566 HydrophobicContact CG2-CB 4.05Å; I451-I566 HydrophobicContact CG2-CG2 3.76Å; L455-I566 HydrophobicContact CD1-CB 4.06Å; L455-I566 HydrophobicContact CD1-CG1 3.92Å; L455-I566 HydrophobicContact CD1-CG2 4.31Å; L455-I566 HydrophobicContact CD2-CG1 4.41Å; F564-I566 HydrophobicContact CD1-CD1 3.79Å; F564-I566 HydrophobicContact CE1-CD1 3.53Å; I566-M570 HydrophobicContact CD1-SD 3.91Å; I566-M570 HydrophobicContact CG2-CB 4.15Å; I566-M570 HydrophobicContact CG2-SD 4.39Å; I566-L578 HydrophobicContact CG2-CD1 3.73Å; I566-I582 HydrophobicContact CD1-CG2 4.28Å; I566-L586 HydrophobicContact CD1-CD1 4.14Å; I566-L586 HydrophobicContact CD1-CD2 4.25Å |
| 567 | S | 87.6 | Confident | 87.9 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -101 | 166.3 | 178.9 | 54 | 0 | 0 | 0 | 0 | 112.5 | E447 T569 M570 | E447-S567 WeakPolarHBondContact OE2-CA 3.38Å; E447-S567 VanDerWaalsContact OE2-CB 3.27Å; E447-S567 WeakPolarHBondContact OE2-CB 3.4Å; S567-T569 PolarHBondContact O-N 2.92Å; S567-T569 VanDerWaalsContact O-N 3.14Å; S567-T569 PolarHBondContact OG-OG1 3.07Å; S567-M570 WeakPolarHBondContact O-CB 3.4Å; S567-M570 PolarHBondContact O-N 3.44Å |
| 568 | H | 84.4 | Confident | 87.9 | Confident | 121 Ų | 121 | 37.1 Ų | 37.1 | 56% | 0.56 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -56.1 | -30.5 | 177 | -167.1 | -74.2 | 0 | 0 | 0 | 113.1 | E447 I451 M570 L571 | E447-H568 PolarHBondContact OE2-N 3.2Å; I451-H568 HydrophobicContact CD1-CB 4.44Å; H568-M570 PolarHBondContact O-N 2.92Å; H568-L571 WeakPolarHBondContact O-CB 3.38Å; H568-L571 WeakPolarHBondContact O-CG 3.32Å; H568-L571 PolarHBondContact O-N 2.94Å |
| 569 | T | 82.9 | Confident | 87.9 | Confident | 49 Ų | 49 | 37.1 Ų | 37.1 | 30% | 0.301 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -66.4 | -15.9 | 176.9 | 46 | 0 | 0 | 0 | 0 | 114.5 | Q527 N536 S567 | Q527-T569 PolarHBondContact NE2-OG1 2.77Å; Q527-T569 VanDerWaalsContact NE2-OG1 3.12Å; N536-T569 PolarHBondContact ND2-O 2.74Å; N536-T569 PolarHBondContact OD1-O 3.37Å; S567-T569 PolarHBondContact O-N 2.92Å; S567-T569 VanDerWaalsContact O-N 3.14Å; S567-T569 PolarHBondContact OG-OG1 3.07Å |
| 570 | M | 89.1 | Confident | 87.7 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -89.5 | 3.8 | 176.4 | -58.5 | -169.5 | -163.8 | 0 | 0 | 114 | I525 N536 I539 F564 P565 I566 S567 H568 L578 N579 I582 | I525-M570 HydrophobicContact CG2-CE 4.45Å; N536-M570 WeakPolarHBondContact OD1-CA 3.48Å; I539-M570 HydrophobicContact CD1-CE 4.33Å; I539-M570 HydrophobicContact CG2-CE 4.38Å; F564-M570 HydrophobicContact CE1-SD 4.26Å; F564-M570 HydrophobicContact CZ-CE 4.14Å; F564-M570 HydrophobicContact CZ-SD 4.25Å; P565-M570 WeakPolarHBondContact O-CE 3.36Å; I566-M570 HydrophobicContact CD1-SD 3.91Å; I566-M570 HydrophobicContact CG2-CB 4.15Å; I566-M570 HydrophobicContact CG2-SD 4.39Å; S567-M570 WeakPolarHBondContact O-CB 3.4Å; S567-M570 PolarHBondContact O-N 3.44Å; H568-M570 PolarHBondContact O-N 2.92Å; M570-L578 WeakPolarHBondContact O-CD1 3.41Å; M570-N579 WeakPolarHBondContact O-CB 3.31Å; M570-N579 PolarHBondContact O-N 2.91Å; M570-I582 HydrophobicContact CB-CD1 4.39Å; M570-I582 HydrophobicContact CB-CG1 4.19Å; M570-I582 HydrophobicContact CG-CD1 4.27Å; M570-I582 HydrophobicContact SD-CD1 4.1Å |
| 571 | L | 88.1 | Confident | 87.5 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -83.4 | 179.3 | 175.2 | -56.6 | 179.1 | 0 | 0 | 0 | 111.9 | I451 I454 H568 S577 L578 | I451-L571 HydrophobicContact CG1-CD1 4.45Å; I454-L571 HydrophobicContact CD1-CD1 4.31Å; I454-L571 HydrophobicContact CD1-CD2 4.13Å; H568-L571 WeakPolarHBondContact O-CB 3.38Å; H568-L571 WeakPolarHBondContact O-CG 3.32Å; H568-L571 PolarHBondContact O-N 2.94Å; L571-S577 CarbonylContact C-O 3.59Å; L571-S577 VanDerWaalsContact CA-O 3.27Å; L571-S577 WeakPolarHBondContact CA-O 3.46Å; L571-S577 WeakPolarHBondContact CB-O 3.45Å; L571-L578 HydrophobicContact CD2-CD1 4.19Å |
| 572 | D | 84.3 | Confident | 87.4 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | trans | -77 | 176.1 | 166.1 | 52.5 | 23 | 0 | 0 | 0 | 112.5 | D574 G575 A576 S577 | D572-D574 PolarHBondContact O-N 3.13Å; D572-G575 PolarHBondContact O-N 2.93Å; D572-G575 PolarHBondContact OD1-N 2.81Å; D572-A576 PolarHBondContact OD1-N 2.79Å; D572-S577 VanDerWaalsContact CG-O 3.26Å; D572-S577 PolarHBondContact N-O 3.09Å; D572-S577 PolarHBondContact OD1-N 3.29Å; D572-S577 WeakPolarHBondContact OD2-CA 3.49Å; D572-S577 WeakPolarHBondContact OD2-CB 3.43Å; D572-S577 PolarHBondContact OD2-N 3.49Å; D572-S577 VanDerWaalsContact OD2-N 3.13Å; D572-S577 PolarHBondContact OD2-OG 2.58Å | ||
| 573 | E | 73 | Confident | 87.2 | Confident | 154 Ų | 154 | 41.8 Ų | 41.8 | 72% | 0.72 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.4 | -176.4 | -76.4 | 147.9 | -160 | 0 | 0 | 112.6 | G575 R822 | E573-G575 VanDerWaalsContact C-N 3.35Å; E573-R822 IonicContact OE1-NH1 2.73Å; E573-R822 PolarHBondContact OE1-NH1 2.87Å |
| 574 | D | 74.6 | Confident | 87.2 | Confident | 148 Ų | 148 | 44.1 Ų | 44.1 | 79% | 0.791 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.8 | 172.8 | -63.1 | -53.6 | 0 | 0 | 0 | 113.6 | D572 A576 | D572-D574 PolarHBondContact O-N 3.13Å; D574-A576 HydrophobicContact CB-CB 3.99Å; D574-A576 PolarHBondContact O-N 3.08Å; D574-A576 VanDerWaalsContact O-N 3.17Å |
| 575 | G | 77.6 | Confident | 87.2 | Confident | 22 Ų | 22 | 44 Ų | 44 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | S | Bend | trans | 63.6 | 12.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D572 E573 | D572-G575 PolarHBondContact O-N 2.93Å; D572-G575 PolarHBondContact OD1-N 2.81Å; E573-G575 VanDerWaalsContact C-N 3.35Å |
| 576 | A | 79.3 | Confident | 87.3 | Confident | 71 Ų | 71 | 43.4 Ų | 43.4 | 59% | 0.587 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -97.9 | -20.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D572 D574 | D572-A576 PolarHBondContact OD1-N 2.79Å; D574-A576 HydrophobicContact CB-CB 3.99Å; D574-A576 PolarHBondContact O-N 3.08Å; D574-A576 VanDerWaalsContact O-N 3.17Å |
| 577 | S | 86.4 | Confident | 87.4 | Confident | 35 Ų | 35 | 49 Ų | 49 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -146.4 | 172.1 | 175.1 | 96.6 | 0 | 0 | 0 | 0 | 113.1 | L571 D572 | L571-S577 CarbonylContact C-O 3.59Å; L571-S577 VanDerWaalsContact CA-O 3.27Å; L571-S577 WeakPolarHBondContact CA-O 3.46Å; L571-S577 WeakPolarHBondContact CB-O 3.45Å; D572-S577 VanDerWaalsContact CG-O 3.26Å; D572-S577 PolarHBondContact N-O 3.09Å; D572-S577 PolarHBondContact OD1-N 3.29Å; D572-S577 WeakPolarHBondContact OD2-CA 3.49Å; D572-S577 WeakPolarHBondContact OD2-CB 3.43Å; D572-S577 PolarHBondContact OD2-N 3.49Å; D572-S577 VanDerWaalsContact OD2-N 3.13Å; D572-S577 PolarHBondContact OD2-OG 2.58Å |
| 578 | L | 88.7 | Confident | 87.6 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -80.8 | 136.2 | -177.2 | -169.2 | 70.6 | 0 | 0 | 0 | 110.8 | I454 L455 I566 M570 L571 S580 I582 L583 L586 | I454-L578 HydrophobicContact CG2-CB 4.42Å; L455-L578 HydrophobicContact CD2-CD1 4.5Å; L455-L578 HydrophobicContact CD2-CD2 3.76Å; I566-L578 HydrophobicContact CG2-CD1 3.73Å; M570-L578 WeakPolarHBondContact O-CD1 3.41Å; L571-L578 HydrophobicContact CD2-CD1 4.19Å; L578-S580 PolarHBondContact O-N 2.71Å; L578-I582 HydrophobicContact CD1-CG2 4.04Å; L578-I582 HydrophobicContact CD2-CG2 4.04Å; L578-I582 HydrophobicContact CG-CB 4.27Å; L578-I582 HydrophobicContact CG-CG2 4.09Å; L578-L583 HydrophobicContact CD2-CB 4Å; L578-L583 HydrophobicContact CD2-CD1 4.12Å; L578-L583 HydrophobicContact CG-CB 4.44Å; L578-L586 HydrophobicContact CD2-CD1 3.79Å |
| 579 | N | 91.8 | Very high | 88.1 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 17% | 0.171 | 27% | 0.273 | C | S | . | . | trans | -52.2 | 134.9 | 178.2 | -175.1 | -81.2 | 0 | 0 | 0 | 111.7 | N536 M570 S581 I582 L583 | N536-N579 HydrophobicContact CB-CB 4.39Å; M570-N579 WeakPolarHBondContact O-CB 3.31Å; M570-N579 PolarHBondContact O-N 2.91Å; N579-S581 VanDerWaalsContact C-N 3.29Å; N579-S581 PolarHBondContact O-N 3.28Å; N579-S581 WeakPolarHBondContact OD1-CB 3.33Å; N579-S581 PolarHBondContact OD1-N 3.49Å; N579-S581 VanDerWaalsContact OD1-N 3.13Å; N579-I582 HydrophobicContact CB-CB 4.34Å; N579-I582 HydrophobicContact CB-CG1 3.92Å; N579-I582 WeakPolarHBondContact O-CB 3.19Å; N579-I582 PolarHBondContact O-N 3.44Å; N579-L583 PolarHBondContact O-N 3.14Å | ||
| 580 | S | 91.3 | Very high | 88.5 | Confident | 92 Ų | 92 | 49.2 Ų | 49.2 | 64% | 0.643 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.5 | -34.1 | -171.3 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | L578 A584 | L578-S580 PolarHBondContact O-N 2.71Å; S580-A584 VanDerWaalsContact O-CB 3.25Å; S580-A584 WeakPolarHBondContact O-CB 3.42Å; S580-A584 PolarHBondContact O-N 3.32Å |
| 581 | S | 92 | Very high | 88.6 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 25% | 0.245 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 174.8 | -68.4 | 0 | 0 | 0 | 0 | 112 | N579 A585 | N579-S581 VanDerWaalsContact C-N 3.29Å; N579-S581 PolarHBondContact O-N 3.28Å; N579-S581 WeakPolarHBondContact OD1-CB 3.33Å; N579-S581 PolarHBondContact OD1-N 3.49Å; N579-S581 VanDerWaalsContact OD1-N 3.13Å; S581-A585 PolarHBondContact O-N 3.4Å; S581-A585 VanDerWaalsContact O-N 3.1Å |
| 582 | I | 93.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.5 | -50.7 | 176.7 | -55.8 | -75.5 | 0 | 0 | 0 | 109.2 | N536 I539 V540 I566 M570 L578 N579 A584 A585 L586 | N536-I582 HydrophobicContact CB-CD1 4.17Å; N536-I582 HydrophobicContact CB-CG1 4.06Å; I539-I582 HydrophobicContact CG2-CD1 4.18Å; V540-I582 HydrophobicContact CG2-CD1 3.82Å; I566-I582 HydrophobicContact CD1-CG2 4.28Å; M570-I582 HydrophobicContact CB-CD1 4.39Å; M570-I582 HydrophobicContact CB-CG1 4.19Å; M570-I582 HydrophobicContact CG-CD1 4.27Å; M570-I582 HydrophobicContact SD-CD1 4.1Å; L578-I582 HydrophobicContact CD1-CG2 4.04Å; L578-I582 HydrophobicContact CD2-CG2 4.04Å; L578-I582 HydrophobicContact CG-CB 4.27Å; L578-I582 HydrophobicContact CG-CG2 4.09Å; N579-I582 HydrophobicContact CB-CB 4.34Å; N579-I582 HydrophobicContact CB-CG1 3.92Å; N579-I582 WeakPolarHBondContact O-CB 3.19Å; N579-I582 PolarHBondContact O-N 3.44Å; I582-A584 VanDerWaalsContact C-N 3.3Å; I582-A584 PolarHBondContact O-N 2.97Å; I582-A585 WeakPolarHBondContact O-CA 3.24Å; I582-A585 WeakPolarHBondContact O-CB 3.28Å; I582-A585 PolarHBondContact O-N 3.01Å; I582-L586 HydrophobicContact CG2-CD1 4.41Å; I582-L586 HydrophobicContact CG2-CG 4.23Å; I582-L586 WeakPolarHBondContact O-CG 3.28Å; I582-L586 PolarHBondContact O-N 3.19Å |
| 583 | L | 93.9 | Very high | 89.2 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58 | -39.7 | 178.8 | -177.3 | 59.1 | 0 | 0 | 0 | 112.7 | K458 I460 L578 N579 A585 R587 | K458-L583 HydrophobicContact CB-CD1 3.86Å; K458-L583 HydrophobicContact CG-CD1 4.17Å; K458-L583 HydrophobicContact CG-CD2 4.46Å; I460-L583 HydrophobicContact CD1-CD1 4.08Å; L578-L583 HydrophobicContact CD2-CB 4Å; L578-L583 HydrophobicContact CD2-CD1 4.12Å; L578-L583 HydrophobicContact CG-CB 4.44Å; N579-L583 PolarHBondContact O-N 3.14Å; L583-A585 VanDerWaalsContact C-N 3.32Å; L583-R587 HydrophobicContact CD1-CG 4.49Å; L583-R587 WeakPolarHBondContact O-CG 3.28Å; L583-R587 PolarHBondContact O-N 3.35Å; L583-R587 VanDerWaalsContact O-N 3.15Å |
| 584 | A | 93.8 | Very high | 90.1 | Very high | 48 Ų | 48 | 54.2 Ų | 54.2 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.7 | -26.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S580 I582 K588 | S580-A584 VanDerWaalsContact O-CB 3.25Å; S580-A584 WeakPolarHBondContact O-CB 3.42Å; S580-A584 PolarHBondContact O-N 3.32Å; I582-A584 VanDerWaalsContact C-N 3.3Å; I582-A584 PolarHBondContact O-N 2.97Å; A584-K588 WeakPolarHBondContact O-CG 3.45Å |
| 585 | A | 94.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -76.4 | -47.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V540 S581 I582 L583 R587 K588 M589 F594 | V540-A585 HydrophobicContact CG1-CB 3.92Å; V540-A585 HydrophobicContact CG2-CB 3.9Å; S581-A585 PolarHBondContact O-N 3.4Å; S581-A585 VanDerWaalsContact O-N 3.1Å; I582-A585 WeakPolarHBondContact O-CA 3.24Å; I582-A585 WeakPolarHBondContact O-CB 3.28Å; I582-A585 PolarHBondContact O-N 3.01Å; L583-A585 VanDerWaalsContact C-N 3.32Å; A585-R587 VanDerWaalsContact C-N 3.33Å; A585-R587 PolarHBondContact O-N 2.99Å; A585-K588 PolarHBondContact O-N 3.42Å; A585-M589 WeakPolarHBondContact O-CG 3.28Å; A585-M589 PolarHBondContact O-N 3.31Å; A585-F594 HydrophobicContact CB-CE2 3.99Å; A585-F594 HydrophobicContact CB-CZ 3.98Å |
| 586 | L | 94.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -44.4 | 179.8 | -58.4 | -167.5 | 0 | 0 | 0 | 111.7 | I444 L455 I460 F564 I566 L578 I582 K588 M589 Q590 | I444-L586 HydrophobicContact CD1-CB 4.5Å; I444-L586 HydrophobicContact CD1-CD2 3.98Å; I444-L586 HydrophobicContact CG1-CD2 4.42Å; I444-L586 HydrophobicContact CG2-CD1 4.45Å; L455-L586 HydrophobicContact CD2-CD1 3.69Å; I460-L586 HydrophobicContact CD1-CB 3.77Å; I460-L586 HydrophobicContact CD1-CD1 3.72Å; I460-L586 HydrophobicContact CD1-CG 4.39Å; F564-L586 HydrophobicContact CE1-CD2 4.47Å; I566-L586 HydrophobicContact CD1-CD1 4.14Å; I566-L586 HydrophobicContact CD1-CD2 4.25Å; L578-L586 HydrophobicContact CD2-CD1 3.79Å; I582-L586 HydrophobicContact CG2-CD1 4.41Å; I582-L586 HydrophobicContact CG2-CG 4.23Å; I582-L586 WeakPolarHBondContact O-CG 3.28Å; I582-L586 PolarHBondContact O-N 3.19Å; L586-K588 PolarHBondContact O-N 3.35Å; L586-M589 HydrophobicContact CD2-CE 3.51Å; L586-M589 WeakPolarHBondContact O-CB 3.35Å; L586-M589 PolarHBondContact O-N 3.19Å; L586-M589 VanDerWaalsContact O-N 3.14Å; L586-Q590 PolarHBondContact O-N 3.21Å |
| 587 | R | 93.6 | Very high | 91.3 | Very high | 117 Ų | 117 | 45.6 Ų | 45.6 | 44% | 0.442 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 176.7 | -74.2 | 176.2 | 172.9 | 169.6 | -1 | 112.8 | K458 L583 A585 M589 Q590 D591 | K458-R587 PolarHBondContact O-NH2 2.98Å; L583-R587 HydrophobicContact CD1-CG 4.49Å; L583-R587 WeakPolarHBondContact O-CG 3.28Å; L583-R587 PolarHBondContact O-N 3.35Å; L583-R587 VanDerWaalsContact O-N 3.15Å; A585-R587 VanDerWaalsContact C-N 3.33Å; A585-R587 PolarHBondContact O-N 2.99Å; R587-M589 VanDerWaalsContact C-N 3.25Å; R587-M589 PolarHBondContact O-N 2.98Å; R587-Q590 CarbonylContact O-C 3.51Å; R587-Q590 WeakPolarHBondContact O-CA 3.29Å; R587-Q590 WeakPolarHBondContact O-CB 3.47Å; R587-Q590 PolarHBondContact O-N 3.32Å; R587-D591 PolarHBondContact O-N 3.33Å |
| 588 | K | 93.2 | Very high | 91.7 | Very high | 111 Ų | 111 | 49.7 Ų | 49.7 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.3 | -25.2 | 175.8 | -72.3 | 176.6 | -178.9 | -178.6 | 0 | 113.6 | A584 A585 L586 Y593 F594 | A584-K588 WeakPolarHBondContact O-CG 3.45Å; A585-K588 PolarHBondContact O-N 3.42Å; L586-K588 PolarHBondContact O-N 3.35Å; K588-Y593 CarbonylContact O-C 3.57Å; K588-Y593 PolarHBondContact O-N 3.29Å; K588-F594 HydrophobicContact CB-CB 4.44Å; K588-F594 HydrophobicContact CB-CD2 3.74Å; K588-F594 HydrophobicContact CD-CD2 4.13Å; K588-F594 HydrophobicContact CD-CE2 4.44Å |
| 589 | M | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.2 | -36.1 | 170.6 | -66.3 | -168.8 | -67.2 | 0 | 0 | 111.7 | V442 L543 L547 A585 L586 R587 D591 G592 F594 I599 T601 | V442-M589 HydrophobicContact CG1-SD 4.24Å; L543-M589 HydrophobicContact CD2-CE 3.99Å; L543-M589 HydrophobicContact CD2-SD 4.1Å; L547-M589 HydrophobicContact CD1-SD 4.03Å; A585-M589 WeakPolarHBondContact O-CG 3.28Å; A585-M589 PolarHBondContact O-N 3.31Å; L586-M589 HydrophobicContact CD2-CE 3.51Å; L586-M589 WeakPolarHBondContact O-CB 3.35Å; L586-M589 PolarHBondContact O-N 3.19Å; L586-M589 VanDerWaalsContact O-N 3.14Å; R587-M589 VanDerWaalsContact C-N 3.25Å; R587-M589 PolarHBondContact O-N 2.98Å; M589-D591 VanDerWaalsContact C-N 3.32Å; M589-G592 PolarHBondContact O-N 3.42Å; M589-G592 VanDerWaalsContact O-N 3.1Å; M589-F594 HydrophobicContact CG-CB 4.02Å; M589-F594 HydrophobicContact CG-CD1 4.44Å; M589-F594 HydrophobicContact CG-CG 4.26Å; M589-I599 HydrophobicContact CB-CD1 4.48Å; M589-I599 HydrophobicContact CB-CG2 4.14Å; M589-I599 HydrophobicContact CG-CD1 3.84Å; M589-I599 HydrophobicContact CG-CG2 4.5Å; M589-I599 HydrophobicContact SD-CD1 4.31Å; M589-T601 HydrophobicContact CB-CG2 3.88Å |
| 590 | Q | 91.5 | Very high | 92.3 | Very high | 80 Ų | 80 | 53 Ų | 53 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.8 | -32.1 | 169.9 | -65 | 177.7 | -61.2 | 0 | 0 | 112.6 | G459 L586 R587 G592 | G459-Q590 PolarHBondContact O-NE2 3.02Å; L586-Q590 PolarHBondContact O-N 3.21Å; R587-Q590 CarbonylContact O-C 3.51Å; R587-Q590 WeakPolarHBondContact O-CA 3.29Å; R587-Q590 WeakPolarHBondContact O-CB 3.47Å; R587-Q590 PolarHBondContact O-N 3.32Å; Q590-G592 PolarHBondContact O-N 2.88Å |
| 591 | D | 92.1 | Very high | 92.5 | Very high | 130 Ų | 130 | 51 Ų | 51 | 70% | 0.695 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -6.6 | 171 | -63.4 | -38.5 | 0 | 0 | 0 | 113.1 | R587 M589 | R587-D591 PolarHBondContact O-N 3.33Å; M589-D591 VanDerWaalsContact C-N 3.32Å |
| 592 | G | 92.3 | Very high | 92.6 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 4.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | M589 Q590 I599 | M589-G592 PolarHBondContact O-N 3.42Å; M589-G592 VanDerWaalsContact O-N 3.1Å; Q590-G592 PolarHBondContact O-N 2.88Å; G592-I599 WeakPolarHBondContact CA-O 3.43Å; G592-I599 PolarHBondContact O-N 2.9Å |
| 593 | Y | 92.3 | Very high | 92.7 | Very high | 143 Ų | 143 | 53.3 Ų | 53.3 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 119.8 | 178.5 | -170.2 | -95.9 | 0 | 0 | 0 | 113.6 | K588 G596 A597 R598 | K588-Y593 CarbonylContact O-C 3.57Å; K588-Y593 PolarHBondContact O-N 3.29Å; Y593-G596 WeakPolarHBondContact OH-CA 3.41Å; Y593-A597 WeakPolarHBondContact CA-O 3.22Å; Y593-A597 WeakPolarHBondContact CD2-O 3.47Å; Y593-R598 HydrophobicContact CD2-CG 4.21Å |
| 594 | F | 92 | Very high | 92.6 | Very high | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.039 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 144 | 176.5 | 178.9 | -93.3 | 0 | 0 | 0 | 111 | V540 R544 L547 A585 K588 M589 G596 A597 I599 | V540-F594 HydrophobicContact CG1-CZ 4.04Å; R544-F594 HydrophobicContact CB-CD1 4.49Å; R544-F594 HydrophobicContact CB-CE1 3.65Å; R544-F594 HydrophobicContact CB-CZ 4.11Å; R544-F594 HydrophobicContact CG-CE1 4.15Å; R544-F594 VanDerWaalsContact NH2-CZ 3.27Å; L547-F594 HydrophobicContact CD1-CD1 3.67Å; L547-F594 HydrophobicContact CD1-CE1 4.14Å; A585-F594 HydrophobicContact CB-CE2 3.99Å; A585-F594 HydrophobicContact CB-CZ 3.98Å; K588-F594 HydrophobicContact CB-CB 4.44Å; K588-F594 HydrophobicContact CB-CD2 3.74Å; K588-F594 HydrophobicContact CD-CD2 4.13Å; K588-F594 HydrophobicContact CD-CE2 4.44Å; M589-F594 HydrophobicContact CG-CB 4.02Å; M589-F594 HydrophobicContact CG-CD1 4.44Å; M589-F594 HydrophobicContact CG-CG 4.26Å; F594-G596 PolarHBondContact O-N 3.11Å; F594-G596 VanDerWaalsContact O-N 3.12Å; F594-A597 PolarHBondContact N-O 3.45Å; F594-A597 VanDerWaalsContact N-O 3.14Å; F594-A597 PolarHBondContact O-N 3.11Å; F594-I599 HydrophobicContact CB-CD1 3.67Å |
| 595 | G | 80.4 | Confident | 92.6 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 25% | 0.247 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 9.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | S548 | S548-G595 VanDerWaalsContact CB-O 3.23Å; S548-G595 WeakPolarHBondContact CB-O 3.37Å; S548-G595 PolarHBondContact OG-O 2.99Å |
| 596 | G | 85.2 | Confident | 92.6 | Very high | 37 Ų | 37 | 58.3 Ų | 58.3 | 38% | 0.381 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y593 F594 | Y593-G596 WeakPolarHBondContact OH-CA 3.41Å; F594-G596 PolarHBondContact O-N 3.11Å; F594-G596 VanDerWaalsContact O-N 3.12Å |
| 597 | A | 91.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 142.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V440 L547 C551 Y593 F594 I599 | V440-A597 HydrophobicContact CG2-CB 4.14Å; L547-A597 HydrophobicContact CB-CB 4.23Å; L547-A597 WeakPolarHBondContact O-CB 3.28Å; C551-A597 HydrophobicContact CB-CB 3.6Å; Y593-A597 WeakPolarHBondContact CA-O 3.22Å; Y593-A597 WeakPolarHBondContact CD2-O 3.47Å; F594-A597 PolarHBondContact N-O 3.45Å; F594-A597 VanDerWaalsContact N-O 3.14Å; F594-A597 PolarHBondContact O-N 3.11Å; A597-I599 HydrophobicContact CB-CG1 4.28Å |
| 598 | R | 94.7 | Very high | 92.6 | Very high | 121 Ų | 121 | 55.8 Ų | 55.8 | 46% | 0.457 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 136.2 | 158.5 | -64.2 | -172.5 | -162 | 148.1 | 14.3 | 108.5 | D437 V439 V440 Y593 | D437-R598 VanDerWaalsContact CG-NH1 3.32Å; D437-R598 VanDerWaalsContact CG-NH2 3.35Å; D437-R598 IonicContact OD1-NH2 2.95Å; D437-R598 IonicContact OD2-CZ 2.72Å; D437-R598 IonicContact OD2-NH1 3.12Å; D437-R598 PolarHBondContact OD2-NH1 2.84Å; D437-R598 IonicContact OD2-NH2 2.77Å; D437-R598 PolarHBondContact OD2-NH2 3.5Å; V439-R598 HydrophobicContact CG2-CB 4.3Å; V440-R598 PolarHBondContact N-O 3.15Å; Y593-R598 HydrophobicContact CD2-CG 4.21Å |
| 599 | I | 95.8 | Very high | 92.6 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.2 | -172.4 | -66.7 | 175.1 | 0 | 0 | 0 | 110.4 | V440 V442 L547 M589 G592 F594 A597 T601 | V440-I599 VanDerWaalsContact O-CA 3.3Å; V440-I599 WeakPolarHBondContact O-CA 3.24Å; V442-I599 HydrophobicContact CB-CG2 4.33Å; V442-I599 HydrophobicContact CG2-CG2 3.88Å; L547-I599 HydrophobicContact CD1-CD1 3.81Å; L547-I599 HydrophobicContact CD2-CD1 3.97Å; L547-I599 HydrophobicContact CD2-CG1 4.3Å; L547-I599 HydrophobicContact CG-CD1 4.43Å; M589-I599 HydrophobicContact CB-CD1 4.48Å; M589-I599 HydrophobicContact CB-CG2 4.14Å; M589-I599 HydrophobicContact CG-CD1 3.84Å; M589-I599 HydrophobicContact CG-CG2 4.5Å; M589-I599 HydrophobicContact SD-CD1 4.31Å; G592-I599 WeakPolarHBondContact CA-O 3.43Å; G592-I599 PolarHBondContact O-N 2.9Å; F594-I599 HydrophobicContact CB-CD1 3.67Å; A597-I599 HydrophobicContact CB-CG1 4.28Å; I599-T601 HydrophobicContact CG2-CG2 4.29Å |
| 600 | Q | 96.1 | Very high | 92.6 | Very high | 95 Ų | 95 | 59.6 Ų | 59.6 | 44% | 0.444 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 111.4 | 167.6 | -174.4 | -177 | 1.9 | 0 | 0 | 108.6 | V439 V440 Q441 V442 F607 | V439-Q600 HydrophobicContact CG1-CB 3.96Å; V440-Q600 PolarHBondContact O-N 3.42Å; Q441-Q600 WeakPolarHBondContact CA-O 3.39Å; Q441-Q600 HydrophobicContact CG-CB 4.46Å; V442-Q600 PolarHBondContact N-O 2.75Å; Q600-F607 HydrophobicContact CG-CE1 3.92Å; Q600-F607 HydrophobicContact CG-CZ 4.26Å; Q600-F607 WeakPolarHBondContact O-CZ 3.42Å |
| 601 | T | 96.1 | Very high | 92.8 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 140.6 | 169.4 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | V442 I444 M589 I599 | V442-T601 WeakPolarHBondContact O-CA 3.27Å; I444-T601 HydrophobicContact CD1-CG2 4.38Å; M589-T601 HydrophobicContact CB-CG2 3.88Å; I599-T601 HydrophobicContact CG2-CG2 4.29Å |
| 602 | G | 94.3 | Very high | 92.9 | Very high | 23 Ų | 23 | 50.3 Ų | 50.3 | 24% | 0.237 | 28% | 0.281 | C | S | . | . | trans | 175.9 | -175 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V442 S443 F607 | V442-G602 PolarHBondContact O-N 3.17Å; S443-G602 WeakPolarHBondContact CA-O 3.42Å; S443-G602 WeakPolarHBondContact CB-O 3.43Å; S443-G602 PolarHBondContact OG-O 2.57Å; G602-F607 VanDerWaalsContact CA-CZ 3.48Å; G602-F607 WeakPolarHBondContact O-CE2 3.48Å | ||
| 603 | K | 94.9 | Very high | 92.9 | Very high | 63 Ų | 63 | 52.4 Ų | 52.4 | 27% | 0.274 | 29% | 0.291 | S | S | . | . | trans | -86.8 | 146.1 | -178.6 | -61 | -179.4 | 165.9 | -152 | 0 | 111.5 | E463 S605 E606 F607 | E463-K603 HydrophobicContact CG-CD 4.32Å; E463-K603 WeakPolarHBondContact OE1-CD 3.28Å; E463-K603 WeakPolarHBondContact OE1-CE 3.44Å; E463-K603 IonicContact OE1-NZ 2.66Å; E463-K603 PolarHBondContact OE1-NZ 2.82Å; K603-S605 PolarHBondContact O-N 3.22Å; K603-E606 HydrophobicContact CB-CB 4.44Å; K603-E606 HydrophobicContact CB-CG 3.97Å; K603-E606 PolarHBondContact N-OE2 3.34Å; K603-E606 WeakPolarHBondContact O-CB 3.19Å; K603-E606 PolarHBondContact O-N 2.85Å; K603-F607 WeakPolarHBondContact O-CD2 3.27Å; K603-F607 PolarHBondContact O-N 3.19Å | ||
| 604 | L | 93.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.4 | -33.3 | 174.1 | -81.3 | 159.5 | 0 | 0 | 0 | 112.8 | S443 L445 V468 I471 L510 T519 T561 T563 E606 F607 L608 | S443-L604 PolarHBondContact OG-N 3.02Å; L445-L604 HydrophobicContact CD1-CD1 4.16Å; V468-L604 HydrophobicContact CG1-CB 3.77Å; V468-L604 HydrophobicContact CG1-CD1 3.72Å; V468-L604 HydrophobicContact CG1-CG 4.38Å; I471-L604 HydrophobicContact CD1-CB 3.71Å; L510-L604 HydrophobicContact CD2-CD2 4.08Å; T519-L604 HydrophobicContact CG2-CD1 3.92Å; T519-L604 HydrophobicContact CG2-CD2 4.33Å; T561-L604 HydrophobicContact CG2-CD2 3.99Å; T563-L604 HydrophobicContact CG2-CD1 4.06Å; L604-E606 VanDerWaalsContact C-N 3.32Å; L604-E606 PolarHBondContact O-N 3Å; L604-F607 PolarHBondContact O-N 3.35Å; L604-L608 WeakPolarHBondContact O-CG 3.13Å; L604-L608 PolarHBondContact O-N 3.03Å |
| 605 | S | 93.1 | Very high | 92.8 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.9 | -27.8 | 174.8 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | K603 | K603-S605 PolarHBondContact O-N 3.22Å |
| 606 | E | 94.2 | Very high | 93.3 | Very high | 118 Ų | 118 | 47.8 Ų | 47.8 | 55% | 0.551 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -79.6 | -33.2 | 175.9 | -64.5 | 164.2 | 166.6 | 0 | 0 | 111.4 | K603 L604 | K603-E606 HydrophobicContact CB-CB 4.44Å; K603-E606 HydrophobicContact CB-CG 3.97Å; K603-E606 PolarHBondContact N-OE2 3.34Å; K603-E606 WeakPolarHBondContact O-CB 3.19Å; K603-E606 PolarHBondContact O-N 2.85Å; L604-E606 VanDerWaalsContact C-N 3.32Å; L604-E606 PolarHBondContact O-N 3Å |
| 607 | F | 95.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -81 | -14.1 | -177.9 | -60.7 | -38.6 | 0 | 0 | 0 | 114.9 | Q441 T561 Q600 G602 K603 L604 T609 T610 S611 | Q441-F607 HydrophobicContact CB-CD1 4.1Å; Q441-F607 HydrophobicContact CB-CD2 3.97Å; Q441-F607 HydrophobicContact CB-CE1 4.04Å; Q441-F607 HydrophobicContact CB-CE2 3.9Å; Q441-F607 HydrophobicContact CB-CG 4.06Å; Q441-F607 HydrophobicContact CB-CZ 3.92Å; Q441-F607 VanDerWaalsContact CD-CD1 3.44Å; Q441-F607 HydrophobicContact CG-CD1 4.09Å; Q441-F607 HydrophobicContact CG-CE1 4.08Å; Q441-F607 HydrophobicContact CG-CG 4.46Å; Q441-F607 HydrophobicContact CG-CZ 4.42Å; Q441-F607 VanDerWaalsContact NE2-CD1 3.32Å; T561-F607 HydrophobicContact CG2-CB 4.39Å; T561-F607 HydrophobicContact CG2-CD2 4.11Å; Q600-F607 HydrophobicContact CG-CE1 3.92Å; Q600-F607 HydrophobicContact CG-CZ 4.26Å; Q600-F607 WeakPolarHBondContact O-CZ 3.42Å; G602-F607 VanDerWaalsContact CA-CZ 3.48Å; G602-F607 WeakPolarHBondContact O-CE2 3.48Å; K603-F607 WeakPolarHBondContact O-CD2 3.27Å; K603-F607 PolarHBondContact O-N 3.19Å; L604-F607 PolarHBondContact O-N 3.35Å; F607-T609 PolarHBondContact O-N 2.87Å; F607-T610 PolarHBondContact O-N 3.32Å; F607-T610 PolarHBondContact O-OG1 2.96Å; F607-T610 VanDerWaalsContact O-OG1 3.06Å; F607-S611 WeakPolarHBondContact CB-OG 3.28Å; F607-S611 PolarHBondContact O-N 3.46Å; F607-S611 PolarHBondContact O-OG 2.84Å |
| 608 | L | 92.8 | Very high | 93 | Very high | 62 Ų | 62 | 48.7 Ų | 48.7 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -29.2 | -177.4 | -72.2 | -176.3 | 0 | 0 | 0 | 115.9 | I471 L510 I517 L604 | I471-L608 HydrophobicContact CD1-CD1 4.27Å; I471-L608 HydrophobicContact CD1-CD2 3.61Å; I471-L608 HydrophobicContact CD1-CG 4.07Å; I471-L608 HydrophobicContact CG1-CD2 4.23Å; L510-L608 HydrophobicContact CD1-CD2 3.66Å; I517-L608 HydrophobicContact CD1-CD2 3.77Å; I517-L608 HydrophobicContact CG2-CD2 4.43Å; L604-L608 WeakPolarHBondContact O-CG 3.13Å; L604-L608 PolarHBondContact O-N 3.03Å |
| 609 | T | 92.6 | Very high | 92.4 | Very high | 134 Ų | 134 | 43.4 Ų | 43.4 | 82% | 0.822 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -7.6 | -179.2 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | F607 | F607-T609 PolarHBondContact O-N 2.87Š|
| 610 | T | 94.6 | Very high | 91.7 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -24.7 | -177.6 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | Q441 G558 Q559 F607 | Q441-T610 PolarHBondContact NE2-OG1 3.48Å; Q441-T610 PolarHBondContact OE1-OG1 3.22Å; G558-T610 CarbonylContact C-O 3.57Å; G558-T610 WeakPolarHBondContact CA-O 3.15Å; Q559-T610 PolarHBondContact N-O 2.87Å; F607-T610 PolarHBondContact O-N 3.32Å; F607-T610 PolarHBondContact O-OG1 2.96Å; F607-T610 VanDerWaalsContact O-OG1 3.06Å |
| 611 | S | 94.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -62.3 | 150.9 | 176.6 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | Q559 T561 F607 C613 | Q559-S611 WeakPolarHBondContact O-CA 3.5Å; T561-S611 VanDerWaalsContact OG1-CB 3.28Å; T561-S611 WeakPolarHBondContact OG1-CB 3.47Å; T561-S611 PolarHBondContact OG1-OG 2.83Å; F607-S611 WeakPolarHBondContact CB-OG 3.28Å; F607-S611 PolarHBondContact O-N 3.46Å; F607-S611 PolarHBondContact O-OG 2.84Å; S611-C613 PolarHBondContact O-N 2.96Å |
| 612 | C | 94.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | trans | -66.4 | 128.4 | 159.8 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | L510 W554 T557 Q559 | L510-C612 PolarHBondContact N-O 2.86Å; W554-C612 HydrophobicContact CH2-CB 4.29Å; W554-C612 HydrophobicContact CZ2-CB 3.52Å; T557-C612 WeakPolarHBondContact O-CA 3.46Å; T557-C612 VanDerWaalsContact O-CB 3.28Å; T557-C612 WeakPolarHBondContact O-CB 3.24Å; T557-C612 PolarHBondContact O-SG 3.44Å; Q559-C612 PolarHBondContact O-N 3.25Å | ||
| 613 | C | 93 | Very high | 85.9 | Confident | 73 Ų | 73 | 48 Ų | 48 | 49% | 0.493 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124.1 | -179.2 | -60.3 | 0 | 0 | 0 | 0 | 109.9 | L510 S611 | L510-C613 VanDerWaalsContact O-CA 3.31Å; L510-C613 WeakPolarHBondContact O-CA 3.37Å; S611-C613 PolarHBondContact O-N 2.96Å |
| 614 | T | 91.8 | Very high | 83.5 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.6 | 176.4 | -62.7 | 0 | 0 | 0 | 0 | 109.8 | L510 Y511 D512 L616 | L510-T614 PolarHBondContact O-N 3.01Å; Y511-T614 CarbonylContact C-O 3.54Å; Y511-T614 VanDerWaalsContact CA-O 3.26Å; Y511-T614 WeakPolarHBondContact CA-O 3.42Å; Y511-T614 HydrophobicContact CD1-CG2 4.43Å; Y511-T614 HydrophobicContact CE1-CG2 4.2Å; D512-T614 PolarHBondContact N-O 3.29Å; T614-L616 HydrophobicContact CG2-CD2 4.05Å |
| 615 | H | 90.6 | Very high | 80.8 | Confident | 72 Ų | 72 | 52.7 Ų | 52.7 | 33% | 0.333 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128.9 | 178.3 | 176.8 | 41.6 | 0 | 0 | 0 | 110.8 | H229 D512 D620 | H229-H615 PolarHBondContact CE1-O 2.64Å; H229-H615 VanDerWaalsContact CE1-O 3.3Å; D512-H615 HydrophobicContact CB-CB 4.39Å; D512-H615 WeakPolarHBondContact O-CA 3.35Å; D512-H615 PolarHBondContact O-ND1 3.17Å; H615-D620 IonicContact CE1-OD2 2.71Å |
| 616 | L | 90.3 | Very high | 78 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -104 | 62 | -178 | -53.1 | -175.1 | 0 | 0 | 0 | 111.3 | L479 I482 Y483 Y511 D512 I513 T614 F618 M619 | L479-L616 HydrophobicContact CD1-CD1 4.29Å; I482-L616 HydrophobicContact CG2-CD1 3.81Å; Y483-L616 HydrophobicContact CE1-CD2 4.49Å; Y511-L616 HydrophobicContact CD1-CD1 3.66Å; Y511-L616 HydrophobicContact CD1-CD2 3.85Å; Y511-L616 HydrophobicContact CD1-CG 3.72Å; Y511-L616 HydrophobicContact CE1-CD1 4.1Å; Y511-L616 HydrophobicContact CE1-CD2 3.93Å; Y511-L616 HydrophobicContact CE1-CG 4.26Å; Y511-L616 HydrophobicContact CG-CD1 4.35Å; D512-L616 PolarHBondContact O-N 2.75Å; I513-L616 HydrophobicContact CD1-CD1 3.93Å; I513-L616 HydrophobicContact CG1-CB 4.27Å; I513-L616 HydrophobicContact CG1-CD1 4.12Å; I513-L616 HydrophobicContact CG1-CG 4.37Å; T614-L616 HydrophobicContact CG2-CD2 4.05Å; L616-F618 HydrophobicContact CB-CD1 4.38Å; L616-F618 HydrophobicContact CB-CE1 3.85Å; L616-F618 HydrophobicContact CB-CZ 4.19Å; L616-F618 HydrophobicContact CD1-CZ 4.48Å; L616-F618 HydrophobicContact CD2-CE1 3.83Å; L616-F618 HydrophobicContact CD2-CZ 4.34Å; L616-F618 HydrophobicContact CG-CE1 4.31Å; L616-F618 PolarHBondContact O-N 3.44Å; L616-F618 VanDerWaalsContact O-N 3.16Å; L616-M619 WeakPolarHBondContact O-CB 3.4Å; L616-M619 PolarHBondContact O-N 3.42Å | ||
| 617 | S | 83.8 | Confident | 75 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -54.5 | -26 | 179.9 | 45.2 | 0 | 0 | 0 | 0 | 115.4 | P224 M619 D620 | P224-S617 WeakPolarHBondContact O-CB 3.34Å; P224-S617 PolarHBondContact O-OG 3.25Å; S617-M619 PolarHBondContact O-N 3.39Å; S617-D620 WeakPolarHBondContact O-CB 3.49Å; S617-D620 PolarHBondContact O-N 3.11Å |
| 618 | F | 85.7 | Confident | 72.1 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 23% | 0.228 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -65.5 | -15.7 | 175.4 | 64.3 | -91.9 | 0 | 0 | 0 | 113.4 | H229 I482 Y483 L486 L616 | H229-F618 AromaticContact CD2-CD1 3.71Å; H229-F618 AromaticContact CD2-CE1 3.9Å; H229-F618 AromaticContact NE2-CD1 3.74Å; I482-F618 HydrophobicContact CG2-CE2 4.23Å; I482-F618 HydrophobicContact CG2-CZ 4.19Å; Y483-F618 HydrophobicContact CD1-CZ 4.38Å; L486-F618 HydrophobicContact CB-CD2 4.36Å; L486-F618 HydrophobicContact CB-CE1 4.48Å; L486-F618 HydrophobicContact CB-CE2 4Å; L486-F618 HydrophobicContact CB-CZ 4.06Å; L486-F618 HydrophobicContact CD1-CB 4.43Å; L486-F618 HydrophobicContact CD1-CD1 3.64Å; L486-F618 HydrophobicContact CD1-CD2 4.3Å; L486-F618 HydrophobicContact CD1-CE1 3.84Å; L486-F618 HydrophobicContact CD1-CE2 4.48Å; L486-F618 HydrophobicContact CD1-CG 3.88Å; L486-F618 HydrophobicContact CD1-CZ 4.27Å; L616-F618 HydrophobicContact CB-CD1 4.38Å; L616-F618 HydrophobicContact CB-CE1 3.85Å; L616-F618 HydrophobicContact CB-CZ 4.19Å; L616-F618 HydrophobicContact CD1-CZ 4.48Å; L616-F618 HydrophobicContact CD2-CE1 3.83Å; L616-F618 HydrophobicContact CD2-CZ 4.34Å; L616-F618 HydrophobicContact CG-CE1 4.31Å; L616-F618 PolarHBondContact O-N 3.44Å; L616-F618 VanDerWaalsContact O-N 3.16Å |
| 619 | M | 83.6 | Confident | 69.2 | Low | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.049 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -88.3 | -9.5 | 172.3 | -64.6 | -58.2 | -69.3 | 0 | 0 | 113.6 | I482 S485 I513 R514 L616 S617 V661 L665 | I482-M619 HydrophobicContact CG2-CG 3.87Å; I482-M619 HydrophobicContact CG2-SD 4.17Å; S485-M619 PolarHBondContact OG-SD 3.44Å; I513-M619 HydrophobicContact CG2-CB 3.88Å; I513-M619 HydrophobicContact CG2-CG 4.34Å; R514-M619 VanDerWaalsContact CZ-O 3.23Å; R514-M619 PolarHBondContact NE-O 3.32Å; R514-M619 PolarHBondContact NH2-O 2.98Å; L616-M619 WeakPolarHBondContact O-CB 3.4Å; L616-M619 PolarHBondContact O-N 3.42Å; S617-M619 PolarHBondContact O-N 3.39Å; M619-V661 HydrophobicContact CE-CG1 4.09Å; M619-L665 HydrophobicContact CE-CD1 3.62Å |
| 620 | D | 79.6 | Confident | 66.2 | Low | 51 Ų | 51 | 68.4 Ų | 68.4 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -69.5 | 144.1 | 179.1 | -75.3 | -19.8 | 0 | 0 | 0 | 111.3 | R514 H615 S617 G622 | R514-D620 VanDerWaalsContact CA-OD1 3.24Å; R514-D620 WeakPolarHBondContact CA-OD1 3.48Å; R514-D620 VanDerWaalsContact CG-OD1 3.27Å; R514-D620 WeakPolarHBondContact CG-OD1 3.29Å; R514-D620 PolarHBondContact N-OD1 2.72Å; H615-D620 IonicContact CE1-OD2 2.71Å; S617-D620 WeakPolarHBondContact O-CB 3.49Å; S617-D620 PolarHBondContact O-N 3.11Å; D620-G622 PolarHBondContact O-N 3.03Å |
| 621 | P | 63.6 | Low | 63.3 | Low | 103 Ų | 103 | 71.9 Ų | 71.9 | 67% | 0.669 | 39% | 0.391 | S | S | * | . | trans | -65.2 | 100.6 | -178.2 | 26.1 | -34.3 | 0 | 0 | 0 | 111.5 | ||||
| 622 | G | 58.3 | Low | 60.4 | Low | 21 Ų | 21 | 82.6 Ų | 82.6 | 22% | 0.216 | 43% | 0.431 | C | S | . | . | trans | -67.9 | 169.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | D620 E624 G625 | D620-G622 PolarHBondContact O-N 3.03Å; G622-E624 VanDerWaalsContact C-N 3.29Å; G622-E624 PolarHBondContact O-N 3.35Å; G622-G625 PolarHBondContact O-N 3.26Å | ||
| 623 | P | 44.5 | Very low | 57.6 | Low | 100 Ų | 100 | 90.3 Ų | 90.3 | 65% | 0.649 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -62 | -31.7 | -175.9 | 24.2 | -33.8 | 0 | 0 | 0 | 113.7 | G625 K626 | P623-G625 PolarHBondContact O-N 3.33Å; P623-K626 PolarHBondContact O-N 2.79Å |
| 624 | E | 42.8 | Very low | 54.6 | Low | 114 Ų | 114 | 96.1 Ų | 96.1 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -64.8 | -26.1 | 173.8 | -64.9 | -172.4 | 165.8 | 0 | 0 | 112.2 | R491 G622 K626 L627 Y628 | R491-E624 IonicContact CZ-OE1 2.85Å; R491-E624 IonicContact NH2-OE1 3.19Å; R491-E624 PolarHBondContact NH2-OE1 2.94Å; G622-E624 VanDerWaalsContact C-N 3.29Å; G622-E624 PolarHBondContact O-N 3.35Å; E624-K626 VanDerWaalsContact C-N 3.28Å; E624-K626 PolarHBondContact O-N 2.9Å; E624-L627 PolarHBondContact O-N 3.27Å; E624-Y628 WeakPolarHBondContact O-CD2 3.09Å |
| 625 | G | 38.7 | Very low | 51.9 | Low | 46 Ų | 46 | 103.5 Ų | 103.5 | 47% | 0.474 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -70.1 | -18.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G622 P623 | G622-G625 PolarHBondContact O-N 3.26Å; P623-G625 PolarHBondContact O-N 3.33Å |
| 626 | K | 32.9 | Very low | 49 | Very low | 134 Ų | 134 | 111.3 Ų | 111.3 | 58% | 0.583 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -34.3 | 175.2 | -68.8 | -164.3 | 165.7 | -148.9 | 0 | 113.2 | P623 E624 Y628 S629 E630 | P623-K626 PolarHBondContact O-N 2.79Å; E624-K626 VanDerWaalsContact C-N 3.28Å; E624-K626 PolarHBondContact O-N 2.9Å; K626-Y628 PolarHBondContact O-N 3.35Å; K626-Y628 VanDerWaalsContact O-N 3.11Å; K626-S629 PolarHBondContact O-N 3.06Å; K626-E630 PolarHBondContact O-N 2.95Å |
| 627 | L | 30.9 | Very low | 46.3 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 66% | 0.66 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -11.3 | 179.6 | -96.1 | 144.3 | 0 | 0 | 0 | 114.1 | E624 | E624-L627 PolarHBondContact O-N 3.27Š|
| 628 | Y | 35.4 | Very low | 43.8 | Very low | 214 Ų | 214 | 126.4 Ų | 126.4 | 84% | 0.839 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 12 | 173.3 | -64.2 | -71.7 | 0 | 0 | 0 | 113.2 | E624 K626 | E624-Y628 WeakPolarHBondContact O-CD2 3.09Å; K626-Y628 PolarHBondContact O-N 3.35Å; K626-Y628 VanDerWaalsContact O-N 3.11Å |
| 629 | S | 32 | Very low | 41.3 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | -9.8 | -175.2 | -173.1 | 0 | 0 | 0 | 0 | 114.7 | K626 | K626-S629 PolarHBondContact O-N 3.06Š|
| 630 | E | 29.8 | Very low | 38.8 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 66% | 0.659 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -114.4 | -13.9 | -175.8 | -67.1 | 177.6 | 177.2 | 0 | 0 | 113.1 | K626 Y632 | K626-E630 PolarHBondContact O-N 2.95Å; E630-Y632 PolarHBondContact O-N 3.26Å |
| 631 | D | 32.6 | Very low | 36.3 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 70.3 | 176.1 | -74.8 | -18.4 | 0 | 0 | 0 | 111.9 | ||
| 632 | Y | 33.8 | Very low | 35.2 | Very low | 236 Ų | 236 | 144.1 Ų | 144.1 | 93% | 0.925 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.1 | 46.4 | 151.4 | -89.8 | -51.1 | 0 | 0 | 0 | 112.9 | E630 | E630-Y632 PolarHBondContact O-N 3.26Š|
| 633 | D | 35.2 | Very low | 33.9 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -122.3 | 80.6 | 164.8 | -97.3 | -29.3 | 0 | 0 | 0 | 109.1 | ||||
| 634 | E | 31 | Very low | 33 | Very low | 195 Ų | 195 | 148.2 Ų | 148.2 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | trans | -118.3 | 126.6 | 161.1 | -79.7 | -160.2 | 140.4 | 0 | 0 | 109.4 | Y636 | E634-Y636 PolarHBondContact O-N 3.04Š| ||
| 635 | D | 35.2 | Very low | 32.4 | Very low | 160 Ų | 160 | 155.4 Ų | 155.4 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -60.2 | 125.1 | -175.6 | -69.4 | -64 | 0 | 0 | 0 | 113.2 | ||||
| 636 | Y | 30.4 | Very low | 31.8 | Very low | 236 Ų | 236 | 161.3 Ų | 161.3 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -151 | 112.7 | 145.5 | -99 | -72.6 | 0 | 0 | 0 | 111.6 | E634 | E634-Y636 PolarHBondContact O-N 3.04Š| ||
| 637 | D | 32.8 | Very low | 31.4 | Very low | 165 Ų | 165 | 162.4 Ų | 162.4 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -66.2 | 129.3 | 157.9 | -92.7 | -40.4 | 0 | 0 | 0 | 109.3 | ||||
| 638 | D | 31.8 | Very low | 31.1 | Very low | 157 Ų | 157 | 162.2 Ų | 162.2 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | trans | -158.7 | 169.9 | 133.2 | -137.9 | -26.7 | 0 | 0 | 0 | 112.3 | ||||
| 639 | E | 32.3 | Very low | 30.8 | Very low | 160 Ų | 160 | 163.4 Ų | 163.4 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -84.2 | 150.7 | -166.7 | -56.3 | -173.1 | 126.2 | 0 | 0 | 116.2 | ||||
| 640 | L | 30.6 | Very low | 30.5 | Very low | 159 Ų | 159 | 165.3 Ų | 165.3 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | 66.9 | 140.9 | 158 | -60.6 | 152.4 | 0 | 0 | 0 | 116.3 | ||||
| 641 | D | 27.5 | Very low | 30.2 | Very low | 153 Ų | 153 | 163.4 Ų | 163.4 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | cis | -151 | 169.3 | 37.8 | -166.9 | 11.1 | 0 | 0 | 0 | 112.8 | ||||
| 642 | S | 40.8 | Very low | 29.9 | Very low | 117 Ų | 117 | 163.5 Ų | 163.5 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -109.7 | 83.1 | -173.9 | 167.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 643 | G | 30.7 | Very low | 29.5 | Very low | 66 Ų | 66 | 164.2 Ų | 164.2 | 68% | 0.68 | 84% | 0.839 | S | S | * | * | trans | -178.6 | 65.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 644 | N | 26.1 | Very low | 29.3 | Very low | 140 Ų | 140 | 163.7 Ų | 163.7 | 75% | 0.749 | 84% | 0.836 | S | S | * | * | trans | -171.7 | 116.5 | 138.1 | -114.4 | 6.3 | 0 | 0 | 0 | 112.3 | ||||
| 645 | W | 29.7 | Very low | 29.4 | Very low | 266 Ų | 266 | 158 Ų | 158 | 100% | 1.008 | 82% | 0.822 | S | S | * | * | trans | -137.1 | 32.5 | 170.6 | -92.6 | 89.3 | 0 | 0 | 0 | 111.7 | ||||
| 646 | M | 26.9 | Very low | 30.2 | Very low | 169 Ų | 169 | 157.9 Ų | 157.9 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | -149.8 | 66.7 | -177.7 | -160.1 | 168.4 | -164.6 | 0 | 0 | 111.3 | ||||
| 647 | D | 24.6 | Very low | 30.9 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -171.5 | 94.1 | 152.5 | -103.2 | -20.7 | 0 | 0 | 0 | 111.3 | ||||
| 648 | S | 23.6 | Very low | 31.8 | Very low | 121 Ų | 121 | 142 Ų | 142 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -157.5 | 52.6 | 161.9 | -150.2 | 0 | 0 | 0 | 0 | 112.2 | D650 | S648-D650 PolarHBondContact O-N 3.02Š| ||
| 649 | Y | 29.8 | Very low | 33.4 | Very low | 240 Ų | 240 | 138.1 Ų | 138.1 | 94% | 0.941 | 73% | 0.728 | S | S | * | * | trans | -80.5 | 93.9 | 158.6 | -97.1 | -95.1 | 0 | 0 | 0 | 108.6 | ||||
| 650 | D | 25 | Very low | 35.3 | Very low | 136 Ų | 136 | 133 Ų | 133 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | S | Bend | -178.8 | 154 | 126.6 | -146 | -33 | 0 | 0 | 0 | 112.6 | S648 | S648-D650 PolarHBondContact O-N 3.02Š| |
| 651 | S | 24.8 | Very low | 37.5 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 72.2 | 41.1 | 143.4 | -73.8 | 0 | 0 | 0 | 0 | 121.8 | ||
| 652 | T | 26.3 | Very low | 39.9 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | trans | -136.7 | 63.5 | 149.7 | 46.9 | 0 | 0 | 0 | 0 | 113.3 | N654 | T652-N654 PolarHBondContact O-N 3.3Š| ||
| 653 | R | 24.9 | Very low | 41.6 | Very low | 252 Ų | 252 | 119.7 Ų | 119.7 | 95% | 0.951 | 62% | 0.619 | S | S | * | * | trans | -75.9 | 27.1 | -177 | -146.7 | 177.7 | -170.7 | 175.8 | 3.7 | 115.5 | ||||
| 654 | N | 29.6 | Very low | 44.1 | Very low | 156 Ų | 156 | 116.9 Ų | 116.9 | 83% | 0.834 | 59% | 0.588 | S | S | * | * | trans | -127.1 | 40.8 | -177.5 | -85.1 | -9.8 | 0 | 0 | 0 | 111.8 | T652 R656 | T652-N654 PolarHBondContact O-N 3.3Å; N654-R656 PolarHBondContact O-N 3.29Å | ||
| 655 | A | 33.5 | Very low | 46.6 | Very low | 74 Ų | 74 | 110.2 Ų | 110.2 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | trans | -61 | 133.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | E660 | A655-E660 WeakPolarHBondContact CB-OE1 3.37Š| ||
| 656 | R | 52.2 | Low | 49 | Very low | 158 Ų | 158 | 101.4 Ų | 101.4 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | trans | -93.4 | 121.5 | -178.4 | -72.4 | 179.8 | 173.9 | 162.3 | -0.7 | 109.7 | N654 G658 D659 E660 | N654-R656 PolarHBondContact O-N 3.29Å; R656-G658 PolarHBondContact O-N 2.78Å; R656-G658 VanDerWaalsContact O-N 3.07Å; R656-D659 WeakPolarHBondContact O-CB 3.3Å; R656-D659 PolarHBondContact O-N 2.94Å; R656-E660 PolarHBondContact O-N 2.9Å | ||
| 657 | C | 44.8 | Very low | 51.4 | Low | 46 Ų | 46 | 95.5 Ų | 95.5 | 31% | 0.311 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -52 | -33.9 | 177.4 | -173.5 | 0 | 0 | 0 | 0 | 113.4 | H481 D659 E660 V661 | H481-C657 PolarHBondContact ND1-SG 3.31Å; H481-C657 VanDerWaalsContact ND1-SG 3.41Å; C657-D659 VanDerWaalsContact C-N 3.32Å; C657-D659 PolarHBondContact O-N 3.34Å; C657-E660 PolarHBondContact O-N 2.88Å; C657-V661 VanDerWaalsContact O-CG2 3.3Å; C657-V661 WeakPolarHBondContact O-CG2 3.22Å; C657-V661 PolarHBondContact O-N 2.62Å |
| 658 | G | 51.8 | Low | 53.9 | Low | 23 Ų | 23 | 88.1 Ų | 88.1 | 24% | 0.237 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -58.3 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R656 A662 | R656-G658 PolarHBondContact O-N 2.78Å; R656-G658 VanDerWaalsContact O-N 3.07Å; G658-A662 WeakPolarHBondContact O-CB 3.41Å; G658-A662 PolarHBondContact O-N 2.68Å |
| 659 | D | 66.8 | Low | 56.5 | Low | 75 Ų | 75 | 84.2 Ų | 84.2 | 40% | 0.401 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.6 | -37.9 | 177.6 | -68 | 5.5 | 0 | 0 | 0 | 111.1 | R656 C657 R663 | R656-D659 WeakPolarHBondContact O-CB 3.3Å; R656-D659 PolarHBondContact O-N 2.94Å; C657-D659 VanDerWaalsContact C-N 3.32Å; C657-D659 PolarHBondContact O-N 3.34Å; D659-R663 VanDerWaalsContact O-CB 3.32Å; D659-R663 WeakPolarHBondContact O-CB 3.14Å; D659-R663 VanDerWaalsContact O-CD 3.28Å; D659-R663 WeakPolarHBondContact O-CD 3.44Å; D659-R663 WeakPolarHBondContact O-CG 3.49Å; D659-R663 PolarHBondContact O-N 3.33Å; D659-R663 IonicContact OD2-NH2 2.96Å; D659-R663 PolarHBondContact OD2-NH2 2.9Å |
| 660 | E | 70.8 | Confident | 58.5 | Low | 52 Ų | 52 | 76 Ų | 76 | 24% | 0.243 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 179.1 | -68.2 | 157.3 | -169.8 | 0 | 0 | 111.2 | A655 R656 C657 R663 Y664 | A655-E660 WeakPolarHBondContact CB-OE1 3.37Å; R656-E660 PolarHBondContact O-N 2.9Å; C657-E660 PolarHBondContact O-N 2.88Å; E660-R663 PolarHBondContact O-N 3.29Å; E660-Y664 WeakPolarHBondContact O-CB 3.27Å; E660-Y664 PolarHBondContact O-N 3.03Å |
| 661 | V | 77.1 | Confident | 60.4 | Low | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | H481 I482 M619 C657 Y664 L665 L710 | H481-V661 HydrophobicContact CB-CG2 3.74Å; I482-V661 HydrophobicContact CG1-CG1 3.74Å; M619-V661 HydrophobicContact CE-CG1 4.09Å; C657-V661 VanDerWaalsContact O-CG2 3.3Å; C657-V661 WeakPolarHBondContact O-CG2 3.22Å; C657-V661 PolarHBondContact O-N 2.62Å; V661-Y664 PolarHBondContact O-N 2.85Å; V661-L665 HydrophobicContact CG1-CD1 4.49Å; V661-L665 WeakPolarHBondContact O-CG 3.39Å; V661-L665 PolarHBondContact O-N 2.69Å; V661-L710 HydrophobicContact CG2-CD1 4.32Å; V661-L710 HydrophobicContact CG2-CD2 3.86Å |
| 662 | A | 77.6 | Confident | 62 | Low | 25 Ų | 25 | 70.6 Ų | 70.6 | 21% | 0.207 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G658 Y664 L665 D666 | G658-A662 WeakPolarHBondContact O-CB 3.41Å; G658-A662 PolarHBondContact O-N 2.68Å; A662-Y664 VanDerWaalsContact C-N 3.33Å; A662-Y664 PolarHBondContact O-N 2.74Å; A662-L665 PolarHBondContact O-N 2.97Å; A662-L665 VanDerWaalsContact O-N 3.16Å; A662-D666 PolarHBondContact O-N 3.16Å |
| 663 | R | 77.9 | Confident | 63.3 | Low | 125 Ų | 125 | 65.6 Ų | 65.6 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 175.8 | -70.8 | 163.1 | -169.4 | 159.2 | 9.6 | 112.1 | D659 E660 D666 H667 | D659-R663 VanDerWaalsContact O-CB 3.32Å; D659-R663 WeakPolarHBondContact O-CB 3.14Å; D659-R663 VanDerWaalsContact O-CD 3.28Å; D659-R663 WeakPolarHBondContact O-CD 3.44Å; D659-R663 WeakPolarHBondContact O-CG 3.49Å; D659-R663 PolarHBondContact O-N 3.33Å; D659-R663 IonicContact OD2-NH2 2.96Å; D659-R663 PolarHBondContact OD2-NH2 2.9Å; E660-R663 PolarHBondContact O-N 3.29Å; R663-D666 PolarHBondContact O-N 3.36Å; R663-H667 PolarHBondContact O-CD2 3.32Å; R663-H667 PolarHBondContact O-N 2.9Å |
| 664 | Y | 81.6 | Confident | 64.4 | Low | 6 Ų | 6 | 57.8 Ų | 57.8 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 176.1 | 170 | -99.3 | 0 | 0 | 0 | 111.3 | Q474 E660 V661 A662 H667 L668 L703 A707 L710 I712 | Q474-Y664 PolarHBondContact OE1-OH 2.91Å; E660-Y664 WeakPolarHBondContact O-CB 3.27Å; E660-Y664 PolarHBondContact O-N 3.03Å; V661-Y664 PolarHBondContact O-N 2.85Å; A662-Y664 VanDerWaalsContact C-N 3.33Å; A662-Y664 PolarHBondContact O-N 2.74Å; Y664-H667 PolarHBondContact O-N 3.36Å; Y664-L668 HydrophobicContact CE1-CD2 4.05Å; Y664-L668 WeakPolarHBondContact O-CB 3.45Å; Y664-L668 PolarHBondContact O-N 3.33Å; Y664-L703 HydrophobicContact CD2-CD1 3.81Å; Y664-L703 HydrophobicContact CE2-CD1 3.75Å; Y664-A707 HydrophobicContact CE2-CB 4.17Å; Y664-L710 HydrophobicContact CD1-CD1 4.07Å; Y664-L710 HydrophobicContact CD2-CD1 4.24Å; Y664-L710 HydrophobicContact CG-CD1 3.7Å; Y664-I712 HydrophobicContact CD2-CD1 4.32Å; Y664-I712 HydrophobicContact CE1-CD1 4.12Å; Y664-I712 HydrophobicContact CE2-CD1 3.61Å |
| 665 | L | 80.4 | Confident | 64.9 | Low | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | 175.9 | -69.5 | 173.6 | 0 | 0 | 0 | 112.5 | I482 I513 F518 M619 V661 A662 L668 L669 | I482-L665 HydrophobicContact CD1-CD1 4.39Å; I482-L665 HydrophobicContact CG1-CD1 4.31Å; I513-L665 HydrophobicContact CG2-CD1 4.3Å; F518-L665 HydrophobicContact CE1-CD2 4.19Å; F518-L665 HydrophobicContact CZ-CD2 3.96Å; M619-L665 HydrophobicContact CE-CD1 3.62Å; V661-L665 HydrophobicContact CG1-CD1 4.49Å; V661-L665 WeakPolarHBondContact O-CG 3.39Å; V661-L665 PolarHBondContact O-N 2.69Å; A662-L665 PolarHBondContact O-N 2.97Å; A662-L665 VanDerWaalsContact O-N 3.16Å; L665-L668 HydrophobicContact CD2-CD2 4.43Å; L665-L668 PolarHBondContact O-N 3.04Å; L665-L669 VanDerWaalsContact O-CB 3.28Å; L665-L669 WeakPolarHBondContact O-CB 3.4Å; L665-L669 WeakPolarHBondContact O-CG 3.12Å; L665-L669 PolarHBondContact O-N 2.95Å |
| 666 | D | 79.9 | Confident | 65 | Low | 81 Ų | 81 | 59.6 Ų | 59.6 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 175.1 | -77.1 | -57.9 | 0 | 0 | 0 | 112.2 | R514 A662 R663 L668 L669 A670 | R514-D666 IonicContact CZ-OD1 3.12Å; R514-D666 IonicContact CZ-OD2 2.76Å; R514-D666 IonicContact NH1-OD1 2.69Å; R514-D666 PolarHBondContact NH1-OD1 2.95Å; R514-D666 IonicContact NH1-OD2 3.12Å; R514-D666 PolarHBondContact NH1-OD2 3.09Å; R514-D666 IonicContact NH2-OD2 2.91Å; A662-D666 PolarHBondContact O-N 3.16Å; R663-D666 PolarHBondContact O-N 3.36Å; D666-L668 PolarHBondContact O-N 2.91Å; D666-L669 PolarHBondContact O-N 3.03Å; D666-A670 VanDerWaalsContact O-CB 3.27Å; D666-A670 WeakPolarHBondContact O-CB 3.34Å; D666-A670 PolarHBondContact O-N 3.33Å |
| 667 | H | 75.5 | Confident | 64.2 | Low | 45 Ų | 45 | 62.1 Ų | 62.1 | 21% | 0.208 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.2 | -44 | 175.1 | -74.7 | -73 | 0 | 0 | 0 | 111.9 | R663 Y664 H671 L703 K706 | R663-H667 PolarHBondContact O-CD2 3.32Å; R663-H667 PolarHBondContact O-N 2.9Å; Y664-H667 PolarHBondContact O-N 3.36Å; H667-H671 AromaticContact ND1-CE1 3.89Å; H667-H671 WeakPolarHBondContact O-CB 3.47Å; H667-H671 PolarHBondContact O-N 3.44Å; H667-H671 VanDerWaalsContact O-N 3.11Å; H667-H671 PolarHBondContact O-ND1 2.92Å; H667-L703 HydrophobicContact CB-CD1 3.89Å; H667-K706 PolarHBondContact CD2-NZ 3.39Å; H667-K706 PolarHBondContact NE2-NZ 3.42Å |
| 668 | L | 78.1 | Confident | 63.7 | Low | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 178.6 | -179.6 | 66.3 | 0 | 0 | 0 | 111.4 | R472 F518 Y664 L665 D666 T672 L703 | R472-L668 PolarHBondContact NH2-O 3.17Å; F518-L668 HydrophobicContact CE1-CD2 4.07Å; F518-L668 HydrophobicContact CZ-CD2 4.43Å; Y664-L668 HydrophobicContact CE1-CD2 4.05Å; Y664-L668 WeakPolarHBondContact O-CB 3.45Å; Y664-L668 PolarHBondContact O-N 3.33Å; L665-L668 HydrophobicContact CD2-CD2 4.43Å; L665-L668 PolarHBondContact O-N 3.04Å; D666-L668 PolarHBondContact O-N 2.91Å; L668-T672 HydrophobicContact CD1-CG2 4.29Å; L668-T672 PolarHBondContact O-N 2.97Å; L668-T672 PolarHBondContact O-OG1 3.31Å; L668-L703 HydrophobicContact CB-CD1 4.47Å |
| 669 | L | 77.6 | Confident | 62.9 | Low | 40 Ų | 40 | 71.5 Ų | 71.5 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.9 | -41.1 | -177.9 | -70.3 | 172.3 | 0 | 0 | 0 | 112 | R514 T516 F518 L665 D666 | R514-L669 HydrophobicContact CB-CD1 3.87Å; R514-L669 HydrophobicContact CG-CD1 4.4Å; T516-L669 HydrophobicContact CG2-CD2 3.97Å; T516-L669 WeakPolarHBondContact OG1-CD2 3.38Å; F518-L669 HydrophobicContact CZ-CD2 4.29Å; L665-L669 VanDerWaalsContact O-CB 3.28Å; L665-L669 WeakPolarHBondContact O-CB 3.4Å; L665-L669 WeakPolarHBondContact O-CG 3.12Å; L665-L669 PolarHBondContact O-N 2.95Å; D666-L669 PolarHBondContact O-N 3.03Å |
| 670 | A | 72.7 | Confident | 61.5 | Low | 67 Ų | 67 | 74.1 Ų | 74.1 | 55% | 0.554 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -70.1 | -38 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | D666 | D666-A670 VanDerWaalsContact O-CB 3.27Å; D666-A670 WeakPolarHBondContact O-CB 3.34Å; D666-A670 PolarHBondContact O-N 3.33Å |
| 671 | H | 63.7 | Low | 60 | Low | 92 Ų | 92 | 77.4 Ų | 77.4 | 43% | 0.426 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -103.7 | -6.2 | -166.5 | -58.3 | 81.6 | 0 | 0 | 0 | 115.2 | H667 D699 | H667-H671 AromaticContact ND1-CE1 3.89Å; H667-H671 WeakPolarHBondContact O-CB 3.47Å; H667-H671 PolarHBondContact O-N 3.44Å; H667-H671 VanDerWaalsContact O-N 3.11Å; H667-H671 PolarHBondContact O-ND1 2.92Å; H671-D699 IonicContact CD2-OD2 2.8Å; H671-D699 IonicContact NE2-OD2 3.69Å |
| 672 | T | 58.8 | Low | 58.6 | Low | 32 Ų | 32 | 83.1 Ų | 83.1 | 20% | 0.196 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -121.3 | 16.8 | -176.7 | 64.9 | 0 | 0 | 0 | 0 | 114.5 | R472 L668 L719 | R472-T672 VanDerWaalsContact CZ-OG1 3.29Å; R472-T672 PolarHBondContact NH1-OG1 2.83Å; R472-T672 PolarHBondContact NH2-OG1 2.9Å; L668-T672 HydrophobicContact CD1-CG2 4.29Å; L668-T672 PolarHBondContact O-N 2.97Å; L668-T672 PolarHBondContact O-OG1 3.31Å; T672-L719 HydrophobicContact CG2-CD2 4.48Å |
| 673 | G | 54.6 | Low | 56.9 | Low | 25 Ų | 25 | 93.7 Ų | 93.7 | 26% | 0.258 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -73.2 | 139.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | H675 | G673-H675 PolarHBondContact O-N 3.06Š|
| 674 | P | 46.5 | Very low | 55.2 | Low | 89 Ų | 89 | 97.8 Ų | 97.8 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | trans | -70.7 | 96.7 | 178.2 | 29.1 | -33.5 | 0 | 0 | 0 | 109.9 | Y469 | Y469-P674 HydrophobicContact CD1-CG 3.77Å; Y469-P674 HydrophobicContact CE1-CG 3.46Å; Y469-P674 VanDerWaalsContact CE1-CG 3.46Å; Y469-P674 HydrophobicContact CG-CG 4.5Å; Y469-P674 WeakPolarHBondContact OH-CD 3.36Å | ||
| 675 | H | 41.8 | Very low | 53.5 | Low | 161 Ų | 161 | 99 Ų | 99 | 75% | 0.745 | 54% | 0.538 | S | S | * | . | trans | -54 | 129.3 | 172.5 | -73.7 | -56.1 | 0 | 0 | 0 | 110 | G673 K677 | G673-H675 PolarHBondContact O-N 3.06Å; H675-K677 PolarHBondContact O-N 3.22Å | ||
| 676 | P | 35.7 | Very low | 52.1 | Low | 107 Ų | 107 | 102 Ų | 102 | 70% | 0.695 | 57% | 0.57 | S | S | * | * | trans | -59.2 | 129.5 | 176.2 | 24.8 | -33.2 | 0 | 0 | 0 | 108.7 | L678 | P676-L678 PolarHBondContact O-N 3.17Š| ||
| 677 | K | 33.6 | Very low | 50.5 | Low | 211 Ų | 211 | 103.8 Ų | 103.8 | 92% | 0.917 | 58% | 0.579 | S | S | * | * | trans | -65.6 | 83.3 | -178.6 | -71.2 | 179.2 | -179.8 | 172 | 0 | 110.3 | H675 T679 | H675-K677 PolarHBondContact O-N 3.22Å; K677-T679 PolarHBondContact O-N 3.21Å; K677-T679 VanDerWaalsContact O-N 3.15Å | ||
| 678 | L | 35.7 | Very low | 49 | Very low | 158 Ų | 158 | 106.2 Ų | 106.2 | 83% | 0.827 | 59% | 0.594 | S | S | * | * | trans | -55 | 119.3 | 174.2 | -78.8 | 168.1 | 0 | 0 | 0 | 108.9 | P676 | P676-L678 PolarHBondContact O-N 3.17Š| ||
| 679 | T | 34.1 | Very low | 47.4 | Very low | 107 Ų | 107 | 115.7 Ų | 115.7 | 66% | 0.656 | 63% | 0.629 | S | S | * | * | trans | -53.7 | 134.4 | 175.8 | 48.6 | 0 | 0 | 0 | 0 | 109.6 | K677 T681 | K677-T679 PolarHBondContact O-N 3.21Å; K677-T679 VanDerWaalsContact O-N 3.15Å; T679-T681 VanDerWaalsContact C-N 3.26Å; T679-T681 PolarHBondContact O-N 3.3Å | ||
| 680 | P | 38.1 | Very low | 46 | Very low | 130 Ų | 130 | 120.2 Ų | 120.2 | 84% | 0.844 | 65% | 0.647 | S | S | * | * | trans | -75.6 | 70.8 | -167.8 | 30.9 | -37.2 | 0 | 0 | 0 | 113.1 | ||||
| 681 | T | 38.3 | Very low | 44.8 | Very low | 122 Ų | 122 | 125 Ų | 125 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | trans | -79.3 | 143.2 | 165.4 | 50.8 | 0 | 0 | 0 | 0 | 110 | T679 R683 | T679-T681 VanDerWaalsContact C-N 3.26Å; T679-T681 PolarHBondContact O-N 3.3Å; T681-R683 PolarHBondContact O-N 3.07Å; T681-R683 VanDerWaalsContact O-N 3.17Å | ||
| 682 | S | 47.3 | Very low | 43.9 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 83% | 0.832 | 65% | 0.653 | S | S | * | * | trans | -66.8 | 112.8 | -161.1 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 683 | R | 42.1 | Very low | 43.3 | Very low | 248 Ų | 248 | 124.2 Ų | 124.2 | 94% | 0.936 | 66% | 0.663 | S | S | * | * | trans | -100.7 | 126.7 | 148.7 | -71.8 | -171.5 | 174.7 | -168.9 | -1.7 | 108.8 | T681 | T681-R683 PolarHBondContact O-N 3.07Å; T681-R683 VanDerWaalsContact O-N 3.17Å | ||
| 684 | K | 43.8 | Very low | 43.1 | Very low | 211 Ų | 211 | 125.9 Ų | 125.9 | 92% | 0.917 | 67% | 0.669 | S | S | * | * | trans | -83.2 | 122.4 | 171.2 | -71.1 | 178.7 | 176.2 | 178.8 | 0 | 107.6 | ||||
| 685 | G | 46.1 | Very low | 43.4 | Very low | 30 Ų | 30 | 126.7 Ų | 126.7 | 31% | 0.309 | 67% | 0.665 | S | S | . | * | trans | 164.5 | 79.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L687 D688 R689 | G685-L687 VanDerWaalsContact C-N 3.31Å; G685-D688 WeakPolarHBondContact CA-OD2 3.47Å; G685-R689 WeakPolarHBondContact O-CB 3.29Å; G685-R689 PolarHBondContact O-N 3.21Å | ||
| 686 | G | 50.4 | Low | 44 | Very low | 65 Ų | 65 | 122.9 Ų | 122.9 | 67% | 0.67 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -65 | -39.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F690 | G686-F690 WeakPolarHBondContact O-CB 3.26Å; G686-F690 PolarHBondContact O-N 3.47Å |
| 687 | L | 46.2 | Very low | 44.8 | Very low | 118 Ų | 118 | 119.8 Ų | 119.8 | 62% | 0.618 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.8 | -42.9 | 177.9 | -165.9 | 69.8 | 0 | 0 | 0 | 112 | G685 R689 F690 R691 | G685-L687 VanDerWaalsContact C-N 3.31Å; L687-R689 PolarHBondContact O-N 3.1Å; L687-F690 PolarHBondContact O-N 3.26Å; L687-R691 WeakPolarHBondContact O-CB 3.46Å; L687-R691 PolarHBondContact O-N 2.9Å |
| 688 | D | 43 | Very low | 45.8 | Very low | 97 Ų | 97 | 112.4 Ų | 112.4 | 52% | 0.519 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.5 | -39.3 | 178.5 | -46.7 | -64.1 | 0 | 0 | 0 | 111.7 | G685 F690 R691 A692 | G685-D688 WeakPolarHBondContact CA-OD2 3.47Å; D688-F690 VanDerWaalsContact C-N 3.33Å; D688-R691 PolarHBondContact O-N 3.32Å; D688-A692 VanDerWaalsContact O-CB 3.24Å; D688-A692 WeakPolarHBondContact O-CB 3.27Å; D688-A692 PolarHBondContact O-N 2.86Å |
| 689 | R | 46.3 | Very low | 46.9 | Very low | 201 Ų | 201 | 106.5 Ų | 106.5 | 76% | 0.758 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.5 | -34.6 | 175.4 | -171.2 | -178.7 | -101.9 | -179.3 | -6 | 111.7 | G685 L687 A693 | G685-R689 WeakPolarHBondContact O-CB 3.29Å; G685-R689 PolarHBondContact O-N 3.21Å; L687-R689 PolarHBondContact O-N 3.1Å; R689-A693 WeakPolarHBondContact O-CB 3.22Å; R689-A693 PolarHBondContact O-N 3.34Å; R689-A693 VanDerWaalsContact O-N 3.12Å |
| 690 | F | 47.8 | Very low | 48.3 | Very low | 134 Ų | 134 | 102.1 Ų | 102.1 | 59% | 0.588 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.8 | -48.2 | 173 | -177.5 | -100.8 | 0 | 0 | 0 | 111.6 | G686 L687 D688 A692 A693 V694 | G686-F690 WeakPolarHBondContact O-CB 3.26Å; G686-F690 PolarHBondContact O-N 3.47Å; L687-F690 PolarHBondContact O-N 3.26Å; D688-F690 VanDerWaalsContact C-N 3.33Å; F690-A692 VanDerWaalsContact C-N 3.33Å; F690-A692 PolarHBondContact O-N 3.42Å; F690-A693 PolarHBondContact O-N 2.93Å; F690-A693 VanDerWaalsContact O-N 3.11Å; F690-V694 HydrophobicContact CD1-CG2 4.01Å; F690-V694 HydrophobicContact CD2-CG2 4.41Å; F690-V694 HydrophobicContact CE1-CG2 3.64Å; F690-V694 HydrophobicContact CE2-CG2 4.07Å; F690-V694 HydrophobicContact CG-CG2 4.39Å; F690-V694 HydrophobicContact CZ-CG2 3.67Å; F690-V694 WeakPolarHBondContact O-CB 3.35Å; F690-V694 WeakPolarHBondContact O-CG2 3.09Å; F690-V694 PolarHBondContact O-N 2.74Å |
| 691 | R | 47.5 | Very low | 49.4 | Very low | 169 Ų | 169 | 100.5 Ų | 100.5 | 64% | 0.638 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.4 | -43.4 | 176.3 | -176 | 180 | -77.4 | 170.5 | -8.5 | 111.3 | L687 D688 V694 Q695 | L687-R691 WeakPolarHBondContact O-CB 3.46Å; L687-R691 PolarHBondContact O-N 2.9Å; D688-R691 PolarHBondContact O-N 3.32Å; R691-V694 PolarHBondContact O-N 3.3Å; R691-Q695 VanDerWaalsContact O-CB 3.25Å; R691-Q695 WeakPolarHBondContact O-CB 3.47Å; R691-Q695 PolarHBondContact O-N 2.82Å |
| 692 | A | 44.8 | Very low | 50.8 | Low | 55 Ų | 55 | 96.6 Ų | 96.6 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D688 F690 T696 | D688-A692 VanDerWaalsContact O-CB 3.24Å; D688-A692 WeakPolarHBondContact O-CB 3.27Å; D688-A692 PolarHBondContact O-N 2.86Å; F690-A692 VanDerWaalsContact C-N 3.33Å; F690-A692 PolarHBondContact O-N 3.42Å; A692-T696 WeakPolarHBondContact O-CB 3.45Å; A692-T696 PolarHBondContact O-N 3.11Å; A692-T696 PolarHBondContact O-OG1 3.25Å |
| 693 | A | 45.3 | Very low | 51.9 | Low | 51 Ų | 51 | 91.3 Ų | 91.3 | 42% | 0.421 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | R689 F690 T697 | R689-A693 WeakPolarHBondContact O-CB 3.22Å; R689-A693 PolarHBondContact O-N 3.34Å; R689-A693 VanDerWaalsContact O-N 3.12Å; F690-A693 PolarHBondContact O-N 2.93Å; F690-A693 VanDerWaalsContact O-N 3.11Å; A693-T697 WeakPolarHBondContact O-CB 3.45Å; A693-T697 PolarHBondContact O-N 3.33Å; A693-T697 PolarHBondContact O-OG1 3.11Å |
| 694 | V | 50.8 | Low | 53 | Low | 61 Ų | 61 | 80.3 Ų | 80.3 | 37% | 0.37 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 173.4 | 170 | 0 | 0 | 0 | 0 | 110 | F690 R691 T696 T697 C698 | F690-V694 HydrophobicContact CD1-CG2 4.01Å; F690-V694 HydrophobicContact CD2-CG2 4.41Å; F690-V694 HydrophobicContact CE1-CG2 3.64Å; F690-V694 HydrophobicContact CE2-CG2 4.07Å; F690-V694 HydrophobicContact CG-CG2 4.39Å; F690-V694 HydrophobicContact CZ-CG2 3.67Å; F690-V694 WeakPolarHBondContact O-CB 3.35Å; F690-V694 WeakPolarHBondContact O-CG2 3.09Å; F690-V694 PolarHBondContact O-N 2.74Å; R691-V694 PolarHBondContact O-N 3.3Å; V694-T696 PolarHBondContact O-N 3.18Å; V694-T697 CarbonylContact O-C 3.56Å; V694-T697 WeakPolarHBondContact O-CA 3.41Å; V694-T697 WeakPolarHBondContact O-CB 3.28Å; V694-T697 PolarHBondContact O-N 3.31Å; V694-C698 PolarHBondContact O-N 2.91Å; V694-C698 PolarHBondContact O-SG 3.14Å; V694-C698 VanDerWaalsContact O-SG 3.39Å |
| 695 | Q | 52.8 | Low | 54.2 | Low | 105 Ų | 105 | 72.4 Ų | 72.4 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.4 | -53.1 | 176 | -170.7 | 61.1 | 50.9 | 0 | 0 | 110.6 | R691 T697 C698 D699 | R691-Q695 VanDerWaalsContact O-CB 3.25Å; R691-Q695 WeakPolarHBondContact O-CB 3.47Å; R691-Q695 PolarHBondContact O-N 2.82Å; Q695-T697 PolarHBondContact O-N 3.31Å; Q695-T697 VanDerWaalsContact O-N 3.1Å; Q695-C698 CarbonylContact O-C 3.44Å; Q695-C698 WeakPolarHBondContact O-CA 3.33Å; Q695-C698 WeakPolarHBondContact O-CB 3.3Å; Q695-C698 PolarHBondContact O-N 3.23Å; Q695-D699 VanDerWaalsContact C-OD2 3.3Å; Q695-D699 PolarHBondContact NE2-OD1 2.92Å; Q695-D699 PolarHBondContact O-N 2.86Å |
| 696 | T | 54.6 | Low | 55.4 | Low | 82 Ų | 82 | 73.1 Ų | 73.1 | 50% | 0.503 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -52.7 | -37.9 | 175.2 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | A692 V694 L700 | A692-T696 WeakPolarHBondContact O-CB 3.45Å; A692-T696 PolarHBondContact O-N 3.11Å; A692-T696 PolarHBondContact O-OG1 3.25Å; V694-T696 PolarHBondContact O-N 3.18Å; T696-L700 VanDerWaalsContact O-CB 3.28Å; T696-L700 WeakPolarHBondContact O-CB 3.38Å; T696-L700 PolarHBondContact O-N 2.95Å |
| 697 | T | 52.1 | Low | 56.2 | Low | 42 Ų | 42 | 70 Ų | 70 | 26% | 0.258 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -74.7 | -37 | 178.6 | -52.7 | 0 | 0 | 0 | 0 | 112.4 | A693 V694 Q695 L700 M701 | A693-T697 WeakPolarHBondContact O-CB 3.45Å; A693-T697 PolarHBondContact O-N 3.33Å; A693-T697 PolarHBondContact O-OG1 3.11Å; V694-T697 CarbonylContact O-C 3.56Å; V694-T697 WeakPolarHBondContact O-CA 3.41Å; V694-T697 WeakPolarHBondContact O-CB 3.28Å; V694-T697 PolarHBondContact O-N 3.31Å; Q695-T697 PolarHBondContact O-N 3.31Å; Q695-T697 VanDerWaalsContact O-N 3.1Å; T697-L700 VanDerWaalsContact O-CB 3.29Å; T697-L700 WeakPolarHBondContact O-CB 3.4Å; T697-L700 PolarHBondContact O-N 2.92Å; T697-M701 HydrophobicContact CG2-CE 4.46Å; T697-M701 WeakPolarHBondContact O-CG 3.46Å; T697-M701 PolarHBondContact O-N 3.13Å |
| 698 | C | 55.6 | Low | 57.1 | Low | 56 Ų | 56 | 71.4 Ų | 71.4 | 38% | 0.378 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 172.1 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | V694 Q695 L700 M701 S702 | V694-C698 PolarHBondContact O-N 2.91Å; V694-C698 PolarHBondContact O-SG 3.14Å; V694-C698 VanDerWaalsContact O-SG 3.39Å; Q695-C698 CarbonylContact O-C 3.44Å; Q695-C698 WeakPolarHBondContact O-CA 3.33Å; Q695-C698 WeakPolarHBondContact O-CB 3.3Å; Q695-C698 PolarHBondContact O-N 3.23Å; C698-L700 VanDerWaalsContact C-N 3.31Å; C698-L700 PolarHBondContact O-N 3.06Å; C698-M701 PolarHBondContact O-N 2.92Å; C698-S702 WeakPolarHBondContact O-CB 3.05Å; C698-S702 PolarHBondContact O-N 2.93Å |
| 699 | D | 57.7 | Low | 58.4 | Low | 33 Ų | 33 | 72.3 Ų | 72.3 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 174.3 | -52.8 | -34.2 | 0 | 0 | 0 | 110.5 | H671 Q695 S702 L703 | H671-D699 IonicContact CD2-OD2 2.8Å; H671-D699 IonicContact NE2-OD2 3.69Å; Q695-D699 VanDerWaalsContact C-OD2 3.3Å; Q695-D699 PolarHBondContact NE2-OD1 2.92Å; Q695-D699 PolarHBondContact O-N 2.86Å; D699-S702 PolarHBondContact O-N 2.82Å; D699-L703 PolarHBondContact O-N 2.69Å |
| 700 | L | 63.3 | Low | 59.2 | Low | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58 | -48.2 | 173.2 | -146.9 | 69 | 0 | 0 | 0 | 111.6 | T696 T697 C698 L703 V704 L719 L723 F724 | T696-L700 VanDerWaalsContact O-CB 3.28Å; T696-L700 WeakPolarHBondContact O-CB 3.38Å; T696-L700 PolarHBondContact O-N 2.95Å; T697-L700 VanDerWaalsContact O-CB 3.29Å; T697-L700 WeakPolarHBondContact O-CB 3.4Å; T697-L700 PolarHBondContact O-N 2.92Å; C698-L700 VanDerWaalsContact C-N 3.31Å; C698-L700 PolarHBondContact O-N 3.06Å; L700-L703 PolarHBondContact O-N 3.43Å; L700-V704 VanDerWaalsContact O-CG2 3.3Å; L700-V704 WeakPolarHBondContact O-CG2 3.34Å; L700-V704 PolarHBondContact O-N 3.33Å; L700-L719 HydrophobicContact CD1-CB 4.03Å; L700-L719 HydrophobicContact CD1-CD1 4.04Å; L700-L719 HydrophobicContact CD1-CD2 3.4Å; L700-L719 VanDerWaalsContact CD1-CD2 3.4Å; L700-L719 HydrophobicContact CD1-CG 4Å; L700-L719 HydrophobicContact CG-CD1 4.09Å; L700-L719 HydrophobicContact CG-CD2 4.36Å; L700-L723 HydrophobicContact CD2-CB 4.38Å; L700-L723 HydrophobicContact CD2-CD1 3.45Å; L700-L723 VanDerWaalsContact CD2-CD1 3.45Å; L700-F724 HydrophobicContact CD2-CE2 3.5Å; L700-F724 VanDerWaalsContact CD2-CE2 3.5Å; L700-F724 HydrophobicContact CD2-CZ 3.88Å; L700-F724 HydrophobicContact CG-CE2 4.01Å; L700-F724 HydrophobicContact CG-CZ 4.3Å |
| 701 | M | 61.7 | Low | 59.8 | Low | 96 Ų | 96 | 62.7 Ų | 62.7 | 47% | 0.473 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.5 | -34.7 | 177.9 | -70.8 | -173.3 | -61 | 0 | 0 | 112.1 | T697 C698 V704 A705 F724 | T697-M701 HydrophobicContact CG2-CE 4.46Å; T697-M701 WeakPolarHBondContact O-CG 3.46Å; T697-M701 PolarHBondContact O-N 3.13Å; C698-M701 PolarHBondContact O-N 2.92Å; M701-V704 PolarHBondContact O-N 3.08Å; M701-A705 WeakPolarHBondContact O-CB 3.38Å; M701-A705 PolarHBondContact O-N 3.3Å; M701-F724 HydrophobicContact CG-CE1 4.36Å; M701-F724 HydrophobicContact CG-CZ 4.24Å |
| 702 | S | 68.7 | Low | 60.2 | Low | 41 Ų | 41 | 55 Ų | 55 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 174.5 | -164.7 | 0 | 0 | 0 | 0 | 111.7 | C698 D699 A705 K706 | C698-S702 WeakPolarHBondContact O-CB 3.05Å; C698-S702 PolarHBondContact O-N 2.93Å; D699-S702 PolarHBondContact O-N 2.82Å; S702-A705 PolarHBondContact O-N 3.47Å; S702-K706 WeakPolarHBondContact O-CG 3.04Å; S702-K706 PolarHBondContact O-N 2.93Å |
| 703 | L | 68.8 | Low | 60 | Low | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 173.1 | -174 | 66.6 | 0 | 0 | 0 | 111.1 | Y664 H667 L668 D699 L700 A707 L719 | Y664-L703 HydrophobicContact CD2-CD1 3.81Å; Y664-L703 HydrophobicContact CE2-CD1 3.75Å; H667-L703 HydrophobicContact CB-CD1 3.89Å; L668-L703 HydrophobicContact CB-CD1 4.47Å; D699-L703 PolarHBondContact O-N 2.69Å; L700-L703 PolarHBondContact O-N 3.43Å; L703-A707 WeakPolarHBondContact O-CB 3.35Å; L703-A707 PolarHBondContact O-N 2.92Å; L703-L719 HydrophobicContact CD2-CD2 3.85Å |
| 704 | V | 65.4 | Low | 60.1 | Low | 17 Ų | 17 | 58.6 Ų | 58.6 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 174.7 | 169.7 | 0 | 0 | 0 | 0 | 112.2 | L700 M701 K708 V715 L719 | L700-V704 VanDerWaalsContact O-CG2 3.3Å; L700-V704 WeakPolarHBondContact O-CG2 3.34Å; L700-V704 PolarHBondContact O-N 3.33Å; M701-V704 PolarHBondContact O-N 3.08Å; V704-K708 HydrophobicContact CG1-CD 4.4Å; V704-K708 WeakPolarHBondContact O-CG 3.41Å; V704-K708 PolarHBondContact O-N 2.94Å; V704-V715 HydrophobicContact CG2-CB 4.36Å; V704-V715 HydrophobicContact CG2-CG1 4.04Å; V704-L719 HydrophobicContact CG2-CD1 3.55Å |
| 705 | A | 69.5 | Low | 59.9 | Low | 44 Ų | 44 | 56.2 Ų | 56.2 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.8 | -52 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M701 S702 A707 K708 E709 | M701-A705 WeakPolarHBondContact O-CB 3.38Å; M701-A705 PolarHBondContact O-N 3.3Å; S702-A705 PolarHBondContact O-N 3.47Å; A705-A707 VanDerWaalsContact C-N 3.27Å; A705-A707 PolarHBondContact O-N 3.46Å; A705-K708 WeakPolarHBondContact O-CA 3.44Å; A705-K708 WeakPolarHBondContact O-CB 3.49Å; A705-K708 PolarHBondContact O-N 2.94Å; A705-E709 WeakPolarHBondContact O-CG 3.43Å; A705-E709 PolarHBondContact O-N 3.07Å |
| 706 | K | 71.1 | Confident | 59.4 | Low | 46 Ų | 46 | 55.4 Ų | 55.4 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.3 | -34.3 | 176.9 | -67.1 | 173 | -174.4 | 178.3 | 0 | 112.3 | H667 S702 E709 L710 | H667-K706 PolarHBondContact CD2-NZ 3.39Å; H667-K706 PolarHBondContact NE2-NZ 3.42Å; S702-K706 WeakPolarHBondContact O-CG 3.04Å; S702-K706 PolarHBondContact O-N 2.93Å; K706-E709 WeakPolarHBondContact CA-OE2 3.48Å; K706-E709 PolarHBondContact O-N 3.41Å; K706-L710 WeakPolarHBondContact O-CG 3.2Å; K706-L710 PolarHBondContact O-N 3.38Å |
| 707 | A | 67.1 | Low | 58.8 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y664 L703 A705 L710 H711 I712 V715 | Y664-A707 HydrophobicContact CE2-CB 4.17Å; L703-A707 WeakPolarHBondContact O-CB 3.35Å; L703-A707 PolarHBondContact O-N 2.92Å; A705-A707 VanDerWaalsContact C-N 3.27Å; A705-A707 PolarHBondContact O-N 3.46Å; A707-L710 CarbonylContact O-C 3.59Å; A707-L710 PolarHBondContact O-N 2.91Å; A707-H711 PolarHBondContact O-N 2.77Å; A707-H711 VanDerWaalsContact O-N 3.11Å; A707-I712 HydrophobicContact CB-CB 4.06Å; A707-I712 HydrophobicContact CB-CD1 3.91Å; A707-I712 HydrophobicContact CB-CG1 4.35Å; A707-I712 VanDerWaalsContact O-CB 3.31Å; A707-I712 WeakPolarHBondContact O-CB 3.21Å; A707-I712 VanDerWaalsContact O-CG1 3.32Å; A707-I712 WeakPolarHBondContact O-CG1 3.38Å; A707-I712 PolarHBondContact O-N 3Å; A707-V715 HydrophobicContact CB-CB 4.46Å; A707-V715 HydrophobicContact CB-CG1 3.91Å; A707-V715 HydrophobicContact CB-CG2 3.62Å |
| 708 | K | 65.8 | Low | 58.5 | Low | 147 Ų | 147 | 55 Ų | 55 | 64% | 0.639 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67.7 | -38.3 | 173.4 | -76.6 | 174.8 | 176.3 | -173 | 0 | 112.7 | V704 A705 L710 H711 | V704-K708 HydrophobicContact CG1-CD 4.4Å; V704-K708 WeakPolarHBondContact O-CG 3.41Å; V704-K708 PolarHBondContact O-N 2.94Å; A705-K708 WeakPolarHBondContact O-CA 3.44Å; A705-K708 WeakPolarHBondContact O-CB 3.49Å; A705-K708 PolarHBondContact O-N 2.94Å; K708-L710 VanDerWaalsContact C-N 3.33Å; K708-L710 PolarHBondContact O-N 2.99Å; K708-H711 WeakPolarHBondContact O-CA 3.26Å; K708-H711 PolarHBondContact O-N 3.27Å |
| 709 | E | 70.2 | Confident | 57.8 | Low | 115 Ų | 115 | 52.9 Ų | 52.9 | 54% | 0.537 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 173 | -68.6 | 163.8 | 173.1 | 0 | 0 | 110.8 | A705 K706 H711 | A705-E709 WeakPolarHBondContact O-CG 3.43Å; A705-E709 PolarHBondContact O-N 3.07Å; K706-E709 WeakPolarHBondContact CA-OE2 3.48Å; K706-E709 PolarHBondContact O-N 3.41Å; E709-H711 PolarHBondContact O-CE1 3.1Å; E709-H711 PolarHBondContact O-N 3.07Å; E709-H711 PolarHBondContact O-ND1 3.29Å |
| 710 | L | 62.4 | Low | 56.6 | Low | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 15.8 | 171 | -60.5 | 176.4 | 0 | 0 | 0 | 114 | I478 V661 Y664 K706 A707 K708 I712 | I478-L710 HydrophobicContact CD1-CB 4.2Å; I478-L710 HydrophobicContact CD1-CD1 4.34Å; V661-L710 HydrophobicContact CG2-CD1 4.32Å; V661-L710 HydrophobicContact CG2-CD2 3.86Å; Y664-L710 HydrophobicContact CD1-CD1 4.07Å; Y664-L710 HydrophobicContact CD2-CD1 4.24Å; Y664-L710 HydrophobicContact CG-CD1 3.7Å; K706-L710 WeakPolarHBondContact O-CG 3.2Å; K706-L710 PolarHBondContact O-N 3.38Å; A707-L710 CarbonylContact O-C 3.59Å; A707-L710 PolarHBondContact O-N 2.91Å; K708-L710 VanDerWaalsContact C-N 3.33Å; K708-L710 PolarHBondContact O-N 2.99Å; L710-I712 VanDerWaalsContact C-N 3.27Å; L710-I712 HydrophobicContact CB-CD1 4.14Å; L710-I712 HydrophobicContact CB-CG1 4.03Å; L710-I712 WeakPolarHBondContact O-CG1 3.27Å; L710-I712 PolarHBondContact O-N 3.06Å |
| 711 | H | 60.3 | Low | 55.1 | Low | 129 Ų | 129 | 59.8 Ų | 59.8 | 60% | 0.597 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 35.4 | 174.9 | -66.9 | 61.4 | 0 | 0 | 0 | 114.9 | R477 Q528 A707 K708 E709 Q713 | R477-H711 PolarHBondContact NE-O 3.27Å; Q528-H711 PolarHBondContact NE2-O 3.01Å; Q528-H711 VanDerWaalsContact NE2-O 3.16Å; Q528-H711 PolarHBondContact OE1-O 2.92Å; A707-H711 PolarHBondContact O-N 2.77Å; A707-H711 VanDerWaalsContact O-N 3.11Å; K708-H711 WeakPolarHBondContact O-CA 3.26Å; K708-H711 PolarHBondContact O-N 3.27Å; E709-H711 PolarHBondContact O-CE1 3.1Å; E709-H711 PolarHBondContact O-N 3.07Å; E709-H711 PolarHBondContact O-ND1 3.29Å; H711-Q713 PolarHBondContact O-N 3.48Å |
| 712 | I | 55.6 | Low | 53.8 | Low | 8 Ų | 8 | 65.1 Ų | 65.1 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | trans | -86.5 | 104.5 | -178.1 | -49.4 | 175.5 | 0 | 0 | 0 | 111.5 | I478 Y664 A707 L710 V715 | I478-I712 HydrophobicContact CD1-CD1 3.5Å; I478-I712 HydrophobicContact CD1-CG1 3.76Å; I478-I712 HydrophobicContact CG1-CD1 4.09Å; I478-I712 HydrophobicContact CG1-CG1 4.29Å; Y664-I712 HydrophobicContact CD2-CD1 4.32Å; Y664-I712 HydrophobicContact CE1-CD1 4.12Å; Y664-I712 HydrophobicContact CE2-CD1 3.61Å; A707-I712 HydrophobicContact CB-CB 4.06Å; A707-I712 HydrophobicContact CB-CD1 3.91Å; A707-I712 HydrophobicContact CB-CG1 4.35Å; A707-I712 VanDerWaalsContact O-CB 3.31Å; A707-I712 WeakPolarHBondContact O-CB 3.21Å; A707-I712 VanDerWaalsContact O-CG1 3.32Å; A707-I712 WeakPolarHBondContact O-CG1 3.38Å; A707-I712 PolarHBondContact O-N 3Å; L710-I712 VanDerWaalsContact C-N 3.27Å; L710-I712 HydrophobicContact CB-CD1 4.14Å; L710-I712 HydrophobicContact CB-CG1 4.03Å; L710-I712 WeakPolarHBondContact O-CG1 3.27Å; L710-I712 PolarHBondContact O-N 3.06Å; I712-V715 HydrophobicContact CB-CG2 4.44Å; I712-V715 HydrophobicContact CG2-CG2 4.31Å; I712-V715 WeakPolarHBondContact O-CG2 3.39Å | ||
| 713 | Q | 42.5 | Very low | 52.1 | Low | 107 Ų | 107 | 67.6 Ų | 67.6 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 164.3 | 158.2 | -84.5 | -179.4 | -7.8 | 0 | 0 | 112.8 | Q528 H711 V715 | Q528-Q713 VanDerWaalsContact CD-CG 3.42Å; Q528-Q713 HydrophobicContact CG-CB 4.22Å; Q528-Q713 HydrophobicContact CG-CG 3.88Å; Q528-Q713 VanDerWaalsContact OE1-CB 3.23Å; H711-Q713 PolarHBondContact O-N 3.48Å; Q713-V715 VanDerWaalsContact C-N 3.3Å; Q713-V715 PolarHBondContact O-N 3.34Å |
| 714 | N | 46.4 | Very low | 50.6 | Low | 75 Ų | 75 | 70.1 Ų | 70.1 | 40% | 0.401 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 25.7 | 177.5 | -68.8 | 15.1 | 0 | 0 | 0 | 115.8 | E447 H716 M717 Y718 | E447-N714 PolarHBondContact OE1-ND2 2.86Å; N714-H716 PolarHBondContact O-N 2.92Å; N714-H716 VanDerWaalsContact O-N 3.09Å; N714-M717 HydrophobicContact CB-CG 4.04Å; N714-M717 HydrophobicContact CB-SD 3.61Å; N714-M717 PolarHBondContact ND2-SD 3.16Å; N714-M717 WeakPolarHBondContact O-CB 3.48Å; N714-M717 PolarHBondContact O-N 3.21Å; N714-Y718 WeakPolarHBondContact O-CD2 3.14Å |
| 715 | V | 46.3 | Very low | 48.8 | Very low | 10 Ų | 10 | 78.3 Ų | 78.3 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -52.5 | -32.3 | 168.2 | -152.1 | 0 | 0 | 0 | 0 | 111.7 | V704 A707 I712 Q713 M717 Y718 L719 | V704-V715 HydrophobicContact CG2-CB 4.36Å; V704-V715 HydrophobicContact CG2-CG1 4.04Å; A707-V715 HydrophobicContact CB-CB 4.46Å; A707-V715 HydrophobicContact CB-CG1 3.91Å; A707-V715 HydrophobicContact CB-CG2 3.62Å; I712-V715 HydrophobicContact CB-CG2 4.44Å; I712-V715 HydrophobicContact CG2-CG2 4.31Å; I712-V715 WeakPolarHBondContact O-CG2 3.39Å; Q713-V715 VanDerWaalsContact C-N 3.3Å; Q713-V715 PolarHBondContact O-N 3.34Å; V715-M717 PolarHBondContact O-N 3.45Å; V715-Y718 PolarHBondContact O-N 3.44Å; V715-L719 HydrophobicContact CB-CD1 4.45Å; V715-L719 HydrophobicContact CG1-CD1 3.68Å; V715-L719 HydrophobicContact CG1-CG 4.39Å; V715-L719 WeakPolarHBondContact O-CG 3.38Å; V715-L719 PolarHBondContact O-N 2.61Å |
| 716 | H | 43.6 | Very low | 46.8 | Very low | 89 Ų | 89 | 81.4 Ų | 81.4 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -65.2 | -10.5 | 176.2 | -58.9 | -64.7 | 0 | 0 | 0 | 115.3 | N714 L719 F724 | N714-H716 PolarHBondContact O-N 2.92Å; N714-H716 VanDerWaalsContact O-N 3.09Å; H716-L719 VanDerWaalsContact O-O 3.08Å; H716-F724 AromaticContact CE1-CD2 3.74Å; H716-F724 AromaticContact CE1-CG 3.82Å; H716-F724 AromaticContact ND1-CD2 3.62Å |
| 717 | M | 41.9 | Very low | 44.7 | Very low | 54 Ų | 54 | 85 Ų | 85 | 27% | 0.266 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -78.3 | -28.8 | 168.6 | -66.5 | 174.2 | 63.3 | 0 | 0 | 112.4 | E447 I465 N714 V715 | E447-M717 HydrophobicContact CB-CE 4.27Å; E447-M717 HydrophobicContact CG-CE 3.77Å; E447-M717 HydrophobicContact CG-SD 3.95Å; I465-M717 HydrophobicContact CB-CE 4.24Å; I465-M717 HydrophobicContact CD1-CE 3.43Å; I465-M717 VanDerWaalsContact CD1-CE 3.43Å; I465-M717 HydrophobicContact CG1-CE 4.41Å; I465-M717 HydrophobicContact CG2-CE 4.42Å; N714-M717 HydrophobicContact CB-CG 4.04Å; N714-M717 HydrophobicContact CB-SD 3.61Å; N714-M717 PolarHBondContact ND2-SD 3.16Å; N714-M717 WeakPolarHBondContact O-CB 3.48Å; N714-M717 PolarHBondContact O-N 3.21Å; V715-M717 PolarHBondContact O-N 3.45Å |
| 718 | Y | 45.6 | Very low | 42.9 | Very low | 60 Ų | 60 | 93.8 Ų | 93.8 | 24% | 0.235 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -96.1 | 2.4 | -176.3 | -53.5 | -83.1 | 0 | 0 | 0 | 112.5 | I465 V473 N714 V715 | I465-Y718 HydrophobicContact CG2-CE1 3.71Å; V473-Y718 WeakPolarHBondContact O-CE1 3.3Å; V473-Y718 PolarHBondContact O-OH 2.92Å; N714-Y718 WeakPolarHBondContact O-CD2 3.14Å; V715-Y718 PolarHBondContact O-N 3.44Å |
| 719 | L | 40.2 | Very low | 41.1 | Very low | 13 Ų | 13 | 92.2 Ų | 92.2 | 7% | 0.068 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -136.2 | 147.3 | -172.4 | -59.7 | 177.8 | 0 | 0 | 0 | 110.3 | T672 L700 L703 V704 V715 H716 T721 | T672-L719 HydrophobicContact CG2-CD2 4.48Å; L700-L719 HydrophobicContact CD1-CB 4.03Å; L700-L719 HydrophobicContact CD1-CD1 4.04Å; L700-L719 HydrophobicContact CD1-CD2 3.4Å; L700-L719 VanDerWaalsContact CD1-CD2 3.4Å; L700-L719 HydrophobicContact CD1-CG 4Å; L700-L719 HydrophobicContact CG-CD1 4.09Å; L700-L719 HydrophobicContact CG-CD2 4.36Å; L703-L719 HydrophobicContact CD2-CD2 3.85Å; V704-L719 HydrophobicContact CG2-CD1 3.55Å; V715-L719 HydrophobicContact CB-CD1 4.45Å; V715-L719 HydrophobicContact CG1-CD1 3.68Å; V715-L719 HydrophobicContact CG1-CG 4.39Å; V715-L719 WeakPolarHBondContact O-CG 3.38Å; V715-L719 PolarHBondContact O-N 2.61Å; H716-L719 VanDerWaalsContact O-O 3.08Å; L719-T721 PolarHBondContact O-N 2.84Å |
| 720 | P | 33.3 | Very low | 39.3 | Very low | 87 Ų | 87 | 91 Ų | 91 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | trans | -60.5 | 112 | -176 | -25.5 | 35.7 | 0 | 0 | 0 | 113.2 | K722 L723 | P720-K722 PolarHBondContact O-N 3.16Å; P720-L723 PolarHBondContact O-N 2.93Å | ||
| 721 | T | 31.8 | Very low | 37.8 | Very low | 106 Ų | 106 | 94 Ų | 94 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -58 | -18.2 | -171 | -7.9 | 0 | 0 | 0 | 0 | 114.8 | L719 L723 | L719-T721 PolarHBondContact O-N 2.84Å; T721-L723 VanDerWaalsContact C-N 3.27Å; T721-L723 PolarHBondContact O-N 3.2Å |
| 722 | K | 33.6 | Very low | 36.6 | Very low | 208 Ų | 208 | 95 Ų | 95 | 90% | 0.904 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -79.1 | 2.3 | -175 | -59.9 | -164.3 | 176 | -167.7 | 0 | 115.3 | P720 | P720-K722 PolarHBondContact O-N 3.16Š|
| 723 | L | 32.7 | Very low | 35.9 | Very low | 92 Ų | 92 | 98.1 Ų | 98.1 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -101 | -12.5 | 177.9 | -74.5 | 167.3 | 0 | 0 | 0 | 114.2 | L700 P720 T721 | L700-L723 HydrophobicContact CD2-CB 4.38Å; L700-L723 HydrophobicContact CD2-CD1 3.45Å; L700-L723 VanDerWaalsContact CD2-CD1 3.45Å; P720-L723 PolarHBondContact O-N 2.93Å; T721-L723 VanDerWaalsContact C-N 3.27Å; T721-L723 PolarHBondContact O-N 3.2Å |
| 724 | F | 37.2 | Very low | 35.8 | Very low | 61 Ų | 61 | 100.9 Ų | 100.9 | 27% | 0.268 | 53% | 0.534 | S | S | . | . | trans | -131.2 | 64.9 | -169.3 | -62.8 | -64.1 | 0 | 0 | 0 | 113.8 | L700 M701 H716 | L700-F724 HydrophobicContact CD2-CE2 3.5Å; L700-F724 VanDerWaalsContact CD2-CE2 3.5Å; L700-F724 HydrophobicContact CD2-CZ 3.88Å; L700-F724 HydrophobicContact CG-CE2 4.01Å; L700-F724 HydrophobicContact CG-CZ 4.3Å; M701-F724 HydrophobicContact CG-CE1 4.36Å; M701-F724 HydrophobicContact CG-CZ 4.24Å; H716-F724 AromaticContact CE1-CD2 3.74Å; H716-F724 AromaticContact CE1-CG 3.82Å; H716-F724 AromaticContact ND1-CD2 3.62Å | ||
| 725 | Q | 27.4 | Very low | 34.9 | Very low | 189 Ų | 189 | 105.3 Ų | 105.3 | 88% | 0.883 | 56% | 0.558 | S | S | * | * | trans | -134.9 | 77.3 | 157.2 | -80.7 | -168.8 | -32.2 | 0 | 0 | 111.2 | ||||
| 726 | P | 27.9 | Very low | 34.1 | Very low | 110 Ų | 110 | 110.5 Ų | 110.5 | 71% | 0.714 | 59% | 0.594 | S | S | * | * | trans | -72.2 | 119.5 | 151.7 | 31.4 | -29.1 | 0 | 0 | 0 | 108 | R728 | P726-R728 PolarHBondContact O-N 3.43Š| ||
| 727 | S | 28 | Very low | 33.5 | Very low | 121 Ų | 121 | 112.4 Ų | 112.4 | 85% | 0.846 | 62% | 0.615 | S | S | * | * | trans | -72.7 | 84.5 | -179.3 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 728 | R | 27.4 | Very low | 32.9 | Very low | 185 Ų | 185 | 118.5 Ų | 118.5 | 70% | 0.698 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 133.7 | 159.8 | -78.7 | -173.6 | 162.9 | -159.9 | -12.3 | 108.6 | P726 S730 E802 | P726-R728 PolarHBondContact O-N 3.43Å; R728-S730 PolarHBondContact O-N 3.18Å; R728-E802 PolarHBondContact NH2-O 2.88Å |
| 729 | P | 29.9 | Very low | 31.9 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 124.9 | 172.4 | 28.1 | -32.6 | 0 | 0 | 0 | 109.2 | ||
| 730 | S | 31.1 | Very low | 31.5 | Very low | 89 Ų | 89 | 126.2 Ų | 126.2 | 62% | 0.622 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 149.2 | 159.1 | 46.1 | 0 | 0 | 0 | 0 | 109.7 | R728 N732 | R728-S730 PolarHBondContact O-N 3.18Å; S730-N732 PolarHBondContact O-N 3.45Å; S730-N732 PolarHBondContact O-OD1 2.95Å |
| 731 | L | 31.9 | Very low | 31.2 | Very low | 67 Ų | 67 | 130.8 Ų | 130.8 | 35% | 0.351 | 72% | 0.717 | S | S | . | * | trans | -54.8 | 113.7 | 170.9 | -80.6 | 170 | 0 | 0 | 0 | 110.2 | L733 Y800 | L731-L733 VanDerWaalsContact C-N 3.33Å; L731-L733 HydrophobicContact CB-CD1 3.99Å; L731-L733 HydrophobicContact CB-CG 4.2Å; L731-L733 PolarHBondContact O-N 2.85Å; L731-Y800 WeakPolarHBondContact CD1-OH 3.28Å; L731-Y800 HydrophobicContact CD2-CE1 4.11Å; L731-Y800 HydrophobicContact CG-CE1 4.5Å; L731-Y800 WeakPolarHBondContact CG-OH 3.32Å | ||
| 732 | N | 35.3 | Very low | 31 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | trans | -70.8 | 85.6 | 178.9 | -72.5 | -21.8 | 0 | 0 | 0 | 110.1 | S730 | S730-N732 PolarHBondContact O-N 3.45Å; S730-N732 PolarHBondContact O-OD1 2.95Å | ||
| 733 | L | 41.1 | Very low | 30.7 | Very low | 74 Ų | 74 | 129 Ų | 129 | 39% | 0.387 | 72% | 0.722 | S | S | . | * | trans | -107.9 | 7.8 | -177.4 | -73.6 | 166.7 | 0 | 0 | 0 | 113.9 | L731 | L731-L733 VanDerWaalsContact C-N 3.33Å; L731-L733 HydrophobicContact CB-CD1 3.99Å; L731-L733 HydrophobicContact CB-CG 4.2Å; L731-L733 PolarHBondContact O-N 2.85Å | ||
| 734 | L | 39.2 | Very low | 30.3 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | trans | -141.5 | 97.2 | 176.1 | -73.7 | 174 | 0 | 0 | 0 | 110.7 | ||||
| 735 | D | 28.3 | Very low | 29.8 | Very low | 168 Ų | 168 | 137 Ų | 137 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | -170.9 | 76.6 | 155.1 | -120.3 | -14.7 | 0 | 0 | 0 | 113 | ||||
| 736 | S | 28.2 | Very low | 29.8 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -169.5 | 154.9 | 154.2 | 7.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 737 | P | 32.7 | Very low | 30.1 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -85.9 | 163.4 | -172.6 | 34.6 | -36.7 | 0 | 0 | 0 | 115 | ||||
| 738 | E | 28.8 | Very low | 30 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | trans | -64.9 | 155.6 | -169.4 | -51.9 | 173.6 | 118.3 | 0 | 0 | 116.4 | ||||
| 739 | S | 23.4 | Very low | 30.2 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -148.9 | 135.2 | 144.5 | 72 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 740 | P | 32.8 | Very low | 30.3 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -90.7 | 138.7 | -175.6 | 33.7 | -33.8 | 0 | 0 | 0 | 113.1 | ||||
| 741 | Q | 25.8 | Very low | 30.3 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | -140.8 | 145.5 | 159.7 | -69.9 | -162.3 | -6.5 | 0 | 0 | 110.7 | S743 | Q741-S743 PolarHBondContact O-N 3.41Š| ||
| 742 | D | 29.5 | Very low | 30.8 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -68 | 125.9 | -171.8 | -61.3 | -79 | 0 | 0 | 0 | 113.4 | ||||
| 743 | S | 26.7 | Very low | 31.4 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -100.3 | 98.7 | 171.7 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | Q741 V745 | Q741-S743 PolarHBondContact O-N 3.41Å; S743-V745 PolarHBondContact O-N 3.42Å | ||
| 744 | Q | 24.9 | Very low | 32.4 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -75.9 | 115.9 | 158.8 | -74 | -171.3 | -18.4 | 0 | 0 | 109 | P746 | Q744-P746 WeakPolarHBondContact O-CD 3.02Š| ||
| 745 | V | 25.1 | Very low | 33.8 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | trans | -90.1 | 123.9 | -178.5 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | S743 | S743-V745 PolarHBondContact O-N 3.42Š| ||
| 746 | P | 27.4 | Very low | 35.7 | Very low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | trans | -95.4 | 118.1 | 167.7 | 31.7 | -23.7 | 0 | 0 | 0 | 111.1 | Q744 V748 | Q744-P746 WeakPolarHBondContact O-CD 3.02Å; P746-V748 PolarHBondContact O-N 3.49Å; P746-V748 VanDerWaalsContact O-N 3.13Å | ||
| 747 | S | 34.4 | Very low | 37.7 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | -76.9 | 96.1 | 173.6 | 50.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 748 | V | 26.2 | Very low | 39.1 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 70% | 0.703 | 71% | 0.706 | S | S | * | * | trans | -139.8 | 146.1 | 169.3 | -169.5 | 0 | 0 | 0 | 0 | 109 | P746 V750 | P746-V748 PolarHBondContact O-N 3.49Å; P746-V748 VanDerWaalsContact O-N 3.13Å; V748-V750 PolarHBondContact O-N 3.03Å; V748-V750 VanDerWaalsContact O-N 3.13Å | ||
| 749 | R | 32.4 | Very low | 40.8 | Very low | 238 Ų | 238 | 130.4 Ų | 130.4 | 90% | 0.898 | 70% | 0.696 | S | S | * | * | trans | -50.4 | 119.4 | 165.2 | -71.5 | 175.8 | 172.2 | 174.3 | -5 | 109.2 | E751 | R749-E751 PolarHBondContact O-N 3.42Å; R749-E751 VanDerWaalsContact O-N 3.09Å | ||
| 750 | V | 31.1 | Very low | 42.7 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | trans | -68.5 | 110.1 | 175.3 | -172.8 | 0 | 0 | 0 | 0 | 108 | V748 V752 | V748-V750 PolarHBondContact O-N 3.03Å; V748-V750 VanDerWaalsContact O-N 3.13Å; V750-V752 HydrophobicContact CB-CG2 4.21Å; V750-V752 HydrophobicContact CG1-CG2 3.87Å; V750-V752 PolarHBondContact O-N 2.64Å | ||
| 751 | E | 31.4 | Very low | 44.4 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | trans | -66.6 | 90.3 | 156.7 | -75.2 | -165.9 | 130.4 | 0 | 0 | 106.6 | R749 H753 | R749-E751 PolarHBondContact O-N 3.42Å; R749-E751 VanDerWaalsContact O-N 3.09Å; E751-H753 PolarHBondContact O-N 2.88Å | ||
| 752 | V | 42.6 | Very low | 46.8 | Very low | 77 Ų | 77 | 118.7 Ų | 118.7 | 47% | 0.467 | 63% | 0.627 | S | S | . | * | trans | -63.7 | 108.4 | -177.5 | -176 | 0 | 0 | 0 | 0 | 108.2 | V750 L754 M786 | V750-V752 HydrophobicContact CB-CG2 4.21Å; V750-V752 HydrophobicContact CG1-CG2 3.87Å; V750-V752 PolarHBondContact O-N 2.64Å; V752-L754 HydrophobicContact CG1-CG 4.48Å; V752-L754 PolarHBondContact O-N 3.46Å; V752-M786 HydrophobicContact CG1-CE 4.19Å; V752-M786 HydrophobicContact CG1-SD 3.8Å | ||
| 753 | H | 47.5 | Very low | 49.3 | Very low | 177 Ų | 177 | 113.3 Ų | 113.3 | 82% | 0.819 | 60% | 0.598 | S | S | * | * | trans | -69 | 75.1 | 168.8 | -76.6 | -57.8 | 0 | 0 | 0 | 109.2 | E751 | E751-H753 PolarHBondContact O-N 2.88Š| ||
| 754 | L | 62.6 | Low | 51.9 | Low | 52 Ų | 52 | 109.7 Ų | 109.7 | 27% | 0.272 | 57% | 0.569 | S | S | . | * | trans | -45.2 | 125.1 | 171.7 | -75.6 | 157.8 | 0 | 0 | 0 | 109.1 | V752 R756 V762 L767 M786 M790 | V752-L754 HydrophobicContact CG1-CG 4.48Å; V752-L754 PolarHBondContact O-N 3.46Å; L754-R756 PolarHBondContact O-N 3.11Å; L754-V762 HydrophobicContact CB-CG1 4.45Å; L754-V762 HydrophobicContact CB-CG2 4.09Å; L754-V762 HydrophobicContact CD1-CG2 4.12Å; L754-V762 HydrophobicContact CD2-CG1 4.09Å; L754-V762 HydrophobicContact CD2-CG2 4.5Å; L754-V762 HydrophobicContact CG-CG2 4.48Å; L754-L767 HydrophobicContact CD2-CD1 4.43Å; L754-M786 HydrophobicContact CD2-SD 3.65Å; L754-M790 HydrophobicContact CD2-SD 4.48Å | ||
| 755 | P | 67.3 | Low | 54.5 | Low | 23 Ų | 23 | 104.8 Ų | 104.8 | 15% | 0.149 | 55% | 0.546 | C | S | . | . | trans | -51.1 | 132.5 | 171.7 | -27.2 | 35.7 | 0 | 0 | 0 | 109.5 | V762 D763 L767 | P755-V762 CarbonylContact O-C 3.49Å; P755-V762 WeakPolarHBondContact O-CA 3.35Å; P755-D763 HydrophobicContact CB-CB 4.18Å; P755-D763 PolarHBondContact O-N 2.73Å; P755-L767 HydrophobicContact CG-CD2 3.99Å; P755-L767 HydrophobicContact CG-CG 4.27Å | ||
| 756 | R | 68.6 | Low | 57.1 | Low | 174 Ų | 174 | 100.4 Ų | 100.4 | 66% | 0.657 | 52% | 0.521 | S | S | * | . | B | Isolated β-bridge | trans | -118.5 | 137.6 | 177.4 | -73.4 | 179.7 | -172.8 | -107.4 | 3 | 110.7 | L754 G760 E761 | L754-R756 PolarHBondContact O-N 3.11Å; R756-G760 WeakPolarHBondContact CD-O 3.37Å; R756-G760 PolarHBondContact NH1-O 3.43Å; R756-E761 CarbonylContact C-O 3.59Å; R756-E761 WeakPolarHBondContact CA-O 3.31Å |
| 757 | D | 70.9 | Confident | 59.8 | Low | 69 Ų | 69 | 95.3 Ų | 95.3 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | trans | -75 | -177.8 | 175.9 | 79.9 | -0.4 | 0 | 0 | 0 | 111.8 | S759 G760 E761 D763 | D757-S759 VanDerWaalsContact CG-OG 3.31Å; D757-S759 PolarHBondContact O-N 3Å; D757-S759 VanDerWaalsContact OD1-CA 3.29Å; D757-S759 WeakPolarHBondContact OD1-CA 3.16Å; D757-S759 WeakPolarHBondContact OD1-CB 3.39Å; D757-S759 PolarHBondContact OD1-N 3.34Å; D757-S759 PolarHBondContact OD1-OG 3.31Å; D757-S759 PolarHBondContact OD2-OG 3.22Å; D757-G760 PolarHBondContact O-N 2.84Å; D757-G760 VanDerWaalsContact O-N 3.09Å; D757-G760 PolarHBondContact OD1-N 3.21Å; D757-E761 PolarHBondContact N-O 3.02Å; D757-E761 PolarHBondContact OD1-N 2.93Å; D757-E761 VanDerWaalsContact OD1-N 3.1Å; D757-D763 HydrophobicContact CB-CB 4.33Å | ||
| 758 | Q | 62.8 | Low | 62.1 | Low | 214 Ų | 214 | 91.1 Ų | 91.1 | 100% | 1 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -8.5 | -179.5 | -59.9 | -179.2 | 19.8 | 0 | 0 | 114 | ||
| 759 | S | 62.7 | Low | 64.7 | Low | 92 Ų | 92 | 88.4 Ų | 88.4 | 64% | 0.643 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -16.1 | 172.2 | 79.4 | 0 | 0 | 0 | 0 | 113.1 | D757 | D757-S759 VanDerWaalsContact CG-OG 3.31Å; D757-S759 PolarHBondContact O-N 3Å; D757-S759 VanDerWaalsContact OD1-CA 3.29Å; D757-S759 WeakPolarHBondContact OD1-CA 3.16Å; D757-S759 WeakPolarHBondContact OD1-CB 3.39Å; D757-S759 PolarHBondContact OD1-N 3.34Å; D757-S759 PolarHBondContact OD1-OG 3.31Å; D757-S759 PolarHBondContact OD2-OG 3.22Å |
| 760 | G | 64.4 | Low | 67 | Low | 27 Ų | 27 | 80.6 Ų | 80.6 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 95.9 | 1.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | R756 D757 | R756-G760 WeakPolarHBondContact CD-O 3.37Å; R756-G760 PolarHBondContact NH1-O 3.43Å; D757-G760 PolarHBondContact O-N 2.84Å; D757-G760 VanDerWaalsContact O-N 3.09Å; D757-G760 PolarHBondContact OD1-N 3.21Å |
| 761 | E | 69.1 | Low | 69.5 | Low | 131 Ų | 131 | 75.9 Ų | 75.9 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -79.9 | 163.8 | 172.2 | -73.1 | -58.9 | 144.5 | 0 | 0 | 111.3 | R756 D757 D763 | R756-E761 CarbonylContact C-O 3.59Å; R756-E761 WeakPolarHBondContact CA-O 3.31Å; D757-E761 PolarHBondContact N-O 3.02Å; D757-E761 PolarHBondContact OD1-N 2.93Å; D757-E761 VanDerWaalsContact OD1-N 3.1Å; E761-D763 PolarHBondContact O-N 2.89Å |
| 762 | V | 76.1 | Confident | 71.8 | Confident | 14 Ų | 14 | 73.5 Ų | 73.5 | 9% | 0.085 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -70.4 | 127.2 | -178.1 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | L754 P755 F764 L767 M790 | L754-V762 HydrophobicContact CB-CG1 4.45Å; L754-V762 HydrophobicContact CB-CG2 4.09Å; L754-V762 HydrophobicContact CD1-CG2 4.12Å; L754-V762 HydrophobicContact CD2-CG1 4.09Å; L754-V762 HydrophobicContact CD2-CG2 4.5Å; L754-V762 HydrophobicContact CG-CG2 4.48Å; P755-V762 CarbonylContact O-C 3.49Å; P755-V762 WeakPolarHBondContact O-CA 3.35Å; V762-F764 HydrophobicContact CB-CE1 4.31Å; V762-F764 HydrophobicContact CB-CE2 4.02Å; V762-F764 HydrophobicContact CB-CZ 3.82Å; V762-F764 HydrophobicContact CG1-CD1 4.22Å; V762-F764 HydrophobicContact CG1-CE1 3.88Å; V762-F764 HydrophobicContact CG1-CE2 4.28Å; V762-F764 HydrophobicContact CG1-CZ 3.92Å; V762-F764 WeakPolarHBondContact O-CD2 3.35Å; V762-F764 WeakPolarHBondContact O-CE2 3.3Å; V762-F764 PolarHBondContact O-N 2.87Å; V762-L767 HydrophobicContact CG1-CD1 3.96Å; V762-M790 HydrophobicContact CB-CE 4.25Å; V762-M790 HydrophobicContact CG1-SD 4.42Å; V762-M790 HydrophobicContact CG2-CE 3.96Å |
| 763 | D | 81.7 | Confident | 73.6 | Confident | 55 Ų | 55 | 77.6 Ų | 77.6 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | trans | -84.3 | 93.2 | 176.7 | -173.1 | -12.2 | 0 | 0 | 0 | 110.8 | P755 D757 E761 Q765 S766 L767 | P755-D763 HydrophobicContact CB-CB 4.18Å; P755-D763 PolarHBondContact O-N 2.73Å; D757-D763 HydrophobicContact CB-CB 4.33Å; E761-D763 PolarHBondContact O-N 2.89Å; D763-Q765 VanDerWaalsContact C-N 3.29Å; D763-Q765 PolarHBondContact O-N 2.71Å; D763-Q765 PolarHBondContact OD1-N 2.94Å; D763-S766 VanDerWaalsContact CG-CB 3.43Å; D763-S766 PolarHBondContact O-N 3.13Å; D763-S766 PolarHBondContact OD1-N 3.23Å; D763-S766 WeakPolarHBondContact OD2-CB 3.36Å; D763-L767 PolarHBondContact O-N 3.18Å; D763-L767 VanDerWaalsContact O-N 3.15Å | ||
| 764 | F | 81.6 | Confident | 75.3 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.5 | -23.7 | 177.9 | -57.3 | -81.5 | 0 | 0 | 0 | 113.6 | V762 L767 V768 L787 M790 K791 W795 | V762-F764 HydrophobicContact CB-CE1 4.31Å; V762-F764 HydrophobicContact CB-CE2 4.02Å; V762-F764 HydrophobicContact CB-CZ 3.82Å; V762-F764 HydrophobicContact CG1-CD1 4.22Å; V762-F764 HydrophobicContact CG1-CE1 3.88Å; V762-F764 HydrophobicContact CG1-CE2 4.28Å; V762-F764 HydrophobicContact CG1-CZ 3.92Å; V762-F764 WeakPolarHBondContact O-CD2 3.35Å; V762-F764 WeakPolarHBondContact O-CE2 3.3Å; V762-F764 PolarHBondContact O-N 2.87Å; F764-L767 HydrophobicContact CD1-CD1 4.35Å; F764-V768 WeakPolarHBondContact O-CG2 3.08Å; F764-V768 PolarHBondContact O-N 3.44Å; F764-L787 HydrophobicContact CB-CD2 4.49Å; F764-L787 HydrophobicContact CD1-CD2 3.98Å; F764-M790 HydrophobicContact CE1-CB 3.74Å; F764-M790 HydrophobicContact CE1-CE 4.09Å; F764-M790 HydrophobicContact CE1-CG 4.44Å; F764-M790 HydrophobicContact CE1-SD 3.87Å; F764-M790 HydrophobicContact CZ-CB 4.27Å; F764-M790 HydrophobicContact CZ-CE 3.84Å; F764-M790 HydrophobicContact CZ-SD 4.25Å; F764-K791 HydrophobicContact CD1-CD 4.37Å; F764-K791 VanDerWaalsContact CD1-CE 3.43Å; F764-K791 HydrophobicContact CD1-CG 4.07Å; F764-K791 VanDerWaalsContact CD2-NZ 3.31Å; F764-K791 HydrophobicContact CE1-CD 4.31Å; F764-K791 HydrophobicContact CE1-CG 4.17Å; F764-K791 HydrophobicContact CZ-CD 4.46Å; F764-W795 HydrophobicContact CB-CH2 4.08Å; F764-W795 HydrophobicContact CB-CZ2 4.49Å |
| 765 | Q | 78.9 | Confident | 76.1 | Confident | 89 Ų | 89 | 72.7 Ų | 72.7 | 42% | 0.416 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -79.7 | -31.4 | 176.2 | -71.6 | -71.2 | 5.1 | 0 | 0 | 111 | D763 V768 S769 E798 | D763-Q765 VanDerWaalsContact C-N 3.29Å; D763-Q765 PolarHBondContact O-N 2.71Å; D763-Q765 PolarHBondContact OD1-N 2.94Å; Q765-V768 PolarHBondContact O-N 3.49Å; Q765-S769 WeakPolarHBondContact O-CB 3.35Å; Q765-S769 PolarHBondContact O-N 2.91Å; Q765-S769 PolarHBondContact O-OG 3.45Å; Q765-E798 PolarHBondContact NE2-OE2 3.25Å |
| 766 | S | 80.4 | Confident | 77 | Confident | 37 Ų | 37 | 73.5 Ų | 73.5 | 26% | 0.259 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 166.5 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | D763 S769 Q770 | D763-S766 VanDerWaalsContact CG-CB 3.43Å; D763-S766 PolarHBondContact O-N 3.13Å; D763-S766 PolarHBondContact OD1-N 3.23Å; D763-S766 WeakPolarHBondContact OD2-CB 3.36Å; S766-S769 WeakPolarHBondContact O-CB 3.24Å; S766-S769 PolarHBondContact O-N 3.08Å; S766-S769 VanDerWaalsContact O-N 3.16Å; S766-Q770 WeakPolarHBondContact O-CG 3.34Å; S766-Q770 PolarHBondContact O-N 3.32Å |
| 767 | L | 82.2 | Confident | 77.9 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 173 | -70.5 | 172.6 | 0 | 0 | 0 | 112.7 | L754 P755 V762 D763 F764 S769 Q770 L771 I783 M786 L787 | L754-L767 HydrophobicContact CD2-CD1 4.43Å; P755-L767 HydrophobicContact CG-CD2 3.99Å; P755-L767 HydrophobicContact CG-CG 4.27Å; V762-L767 HydrophobicContact CG1-CD1 3.96Å; D763-L767 PolarHBondContact O-N 3.18Å; D763-L767 VanDerWaalsContact O-N 3.15Å; F764-L767 HydrophobicContact CD1-CD1 4.35Å; L767-S769 VanDerWaalsContact C-N 3.28Å; L767-S769 PolarHBondContact O-N 3.35Å; L767-Q770 PolarHBondContact O-N 2.86Å; L767-L771 PolarHBondContact O-N 3.37Å; L767-I783 HydrophobicContact CB-CG2 4.33Å; L767-M786 HydrophobicContact CD2-CE 4.06Å; L767-L787 HydrophobicContact CB-CD2 4.24Å; L767-L787 HydrophobicContact CD1-CD2 4.22Å |
| 768 | V | 82.7 | Confident | 78.4 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.024 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.8 | -31 | 174.2 | 168.6 | 0 | 0 | 0 | 0 | 112 | F764 Q765 K772 L787 W795 T797 L799 | F764-V768 WeakPolarHBondContact O-CG2 3.08Å; F764-V768 PolarHBondContact O-N 3.44Å; Q765-V768 PolarHBondContact O-N 3.49Å; V768-K772 PolarHBondContact O-N 2.77Å; V768-L787 HydrophobicContact CG2-CD1 4.1Å; V768-W795 HydrophobicContact CG2-CH2 4.12Å; V768-W795 HydrophobicContact CG2-CZ3 4.05Å; V768-T797 HydrophobicContact CG2-CG2 4.47Å; V768-L799 HydrophobicContact CG1-CD1 4.33Å; V768-L799 HydrophobicContact CG1-CG 4.27Å |
| 769 | S | 80.7 | Confident | 79.4 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.8 | -43.8 | 173.8 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | Q765 S766 L767 L771 K772 E773 | Q765-S769 WeakPolarHBondContact O-CB 3.35Å; Q765-S769 PolarHBondContact O-N 2.91Å; Q765-S769 PolarHBondContact O-OG 3.45Å; S766-S769 WeakPolarHBondContact O-CB 3.24Å; S766-S769 PolarHBondContact O-N 3.08Å; S766-S769 VanDerWaalsContact O-N 3.16Å; L767-S769 VanDerWaalsContact C-N 3.28Å; L767-S769 PolarHBondContact O-N 3.35Å; S769-L771 VanDerWaalsContact C-N 3.28Å; S769-L771 PolarHBondContact O-N 3.47Å; S769-K772 WeakPolarHBondContact O-CA 3.36Å; S769-K772 WeakPolarHBondContact O-CB 3.47Å; S769-K772 PolarHBondContact O-N 2.82Å; S769-E773 PolarHBondContact O-N 3.05Å |
| 770 | Q | 82.5 | Confident | 80.6 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 172.8 | -72.1 | 174.3 | -17.8 | 0 | 0 | 111.5 | S766 L767 K772 E773 T774 I783 | S766-Q770 WeakPolarHBondContact O-CG 3.34Å; S766-Q770 PolarHBondContact O-N 3.32Å; L767-Q770 PolarHBondContact O-N 2.86Å; Q770-K772 PolarHBondContact O-N 3.44Å; Q770-E773 PolarHBondContact O-N 3.46Å; Q770-T774 WeakPolarHBondContact O-CB 3.15Å; Q770-T774 PolarHBondContact O-N 3.24Å; Q770-T774 PolarHBondContact O-OG1 2.71Å; Q770-I783 HydrophobicContact CB-CD1 4.02Å |
| 771 | L | 82.6 | Confident | 81.7 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -22.5 | 174.3 | -171.2 | 62.7 | 0 | 0 | 0 | 113.7 | L767 S769 Q780 I783 L784 L799 L810 | L767-L771 PolarHBondContact O-N 3.37Å; S769-L771 VanDerWaalsContact C-N 3.28Å; S769-L771 PolarHBondContact O-N 3.47Å; L771-Q780 HydrophobicContact CD1-CB 3.92Å; L771-Q780 HydrophobicContact CD1-CG 4.02Å; L771-I783 HydrophobicContact CB-CG2 4.08Å; L771-I783 HydrophobicContact CD1-CB 4.38Å; L771-I783 HydrophobicContact CD1-CG2 4.32Å; L771-L784 HydrophobicContact CD1-CD1 4.45Å; L771-L784 HydrophobicContact CD1-CG 4.13Å; L771-L784 HydrophobicContact CD2-CD2 3.73Å; L771-L784 HydrophobicContact CD2-CG 4.05Å; L771-L799 HydrophobicContact CD2-CD1 3.87Å; L771-L799 HydrophobicContact CG-CD1 4.43Å; L771-L810 HydrophobicContact CD2-CD1 4.24Å |
| 772 | K | 79.8 | Confident | 82.4 | Confident | 122 Ų | 122 | 53.9 Ų | 53.9 | 53% | 0.53 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -86 | -25 | 172.7 | -68.8 | -179.6 | 177 | -172.1 | 0 | 113.5 | V768 S769 Q770 L799 | V768-K772 PolarHBondContact O-N 2.77Å; S769-K772 WeakPolarHBondContact O-CA 3.36Å; S769-K772 WeakPolarHBondContact O-CB 3.47Å; S769-K772 PolarHBondContact O-N 2.82Å; Q770-K772 PolarHBondContact O-N 3.44Å; K772-L799 HydrophobicContact CD-CD2 4.43Å; K772-L799 VanDerWaalsContact CE-CD2 3.49Å; K772-L799 VanDerWaalsContact CE-CG 3.48Å; K772-L799 VanDerWaalsContact CE-O 3.28Å; K772-L799 WeakPolarHBondContact CE-O 3.46Å; K772-L799 HydrophobicContact CG-CD2 4.09Å; K772-L799 HydrophobicContact CG-CG 4.32Å; K772-L799 PolarHBondContact NZ-O 3.47Å |
| 773 | E | 80.8 | Confident | 82.9 | Confident | 163 Ų | 163 | 53.8 Ų | 53.8 | 76% | 0.762 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -95.1 | -32 | -175.8 | -68 | -179.5 | 173.3 | 0 | 0 | 113 | S769 Q770 | S769-E773 PolarHBondContact O-N 3.05Å; Q770-E773 PolarHBondContact O-N 3.46Å |
| 774 | T | 83.6 | Confident | 83.2 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | trans | -70.4 | 127.1 | -179 | -82.5 | 0 | 0 | 0 | 0 | 112.3 | Q770 S776 E779 Q780 | Q770-T774 WeakPolarHBondContact O-CB 3.15Å; Q770-T774 PolarHBondContact O-N 3.24Å; Q770-T774 PolarHBondContact O-OG1 2.71Å; T774-S776 VanDerWaalsContact CG2-O 3.32Å; T774-S776 WeakPolarHBondContact CG2-O 3.26Å; T774-E779 HydrophobicContact CG2-CB 3.43Å; T774-E779 VanDerWaalsContact CG2-CB 3.43Å; T774-E779 HydrophobicContact CG2-CG 4.39Å; T774-E779 VanDerWaalsContact CG2-OE2 3.24Å; T774-E779 WeakPolarHBondContact CG2-OE2 3.4Å; T774-E779 PolarHBondContact OG1-OE2 2.61Å; T774-Q780 HydrophobicContact CG2-CG 3.85Å; T774-Q780 PolarHBondContact O-NE2 3.04Å | ||
| 775 | S | 78.3 | Confident | 83.4 | Confident | 103 Ų | 103 | 53.6 Ų | 53.6 | 72% | 0.72 | 28% | 0.278 | S | S | * | . | trans | -91 | -14.9 | 170.1 | 56.5 | 0 | 0 | 0 | 0 | 114.3 | L777 | S775-L777 PolarHBondContact O-N 2.83Š| ||
| 776 | S | 86.5 | Confident | 83.6 | Confident | 41 Ų | 41 | 51 Ų | 51 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | trans | -77 | 115.9 | -179.6 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | T774 Q778 E779 Q780 | T774-S776 VanDerWaalsContact CG2-O 3.32Å; T774-S776 WeakPolarHBondContact CG2-O 3.26Å; S776-Q778 PolarHBondContact O-N 2.69Å; S776-E779 PolarHBondContact O-N 3.47Å; S776-E779 PolarHBondContact OG-N 3.11Å; S776-Q780 WeakPolarHBondContact O-CG 3.38Å; S776-Q780 PolarHBondContact O-N 2.88Å | ||
| 777 | L | 86.7 | Confident | 83.9 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -26.6 | 178.6 | -62.2 | 172.4 | 0 | 0 | 0 | 113.1 | S775 A781 L814 V818 I821 L826 | S775-L777 PolarHBondContact O-N 2.83Å; L777-A781 WeakPolarHBondContact O-CB 3.36Å; L777-A781 PolarHBondContact O-N 2.71Å; L777-A781 VanDerWaalsContact O-N 3.1Å; L777-L814 HydrophobicContact CD2-CD1 3.7Å; L777-V818 HydrophobicContact CB-CG2 4.46Å; L777-V818 HydrophobicContact CD1-CG2 4.38Å; L777-I821 HydrophobicContact CD1-CD1 3.4Å; L777-I821 VanDerWaalsContact CD1-CD1 3.4Å; L777-L826 HydrophobicContact CB-CD1 4.17Å |
| 778 | Q | 83.3 | Confident | 84.2 | Confident | 85 Ų | 85 | 51.6 Ų | 51.6 | 40% | 0.397 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.4 | -50.8 | 173.6 | 178.6 | 64.7 | 59.2 | 0 | 0 | 111 | S776 Q780 A781 D782 L826 | S776-Q778 PolarHBondContact O-N 2.69Å; Q778-Q780 VanDerWaalsContact C-N 3.32Å; Q778-Q780 PolarHBondContact O-N 3.27Å; Q778-A781 WeakPolarHBondContact O-CB 3.47Å; Q778-A781 PolarHBondContact O-N 2.89Å; Q778-A781 VanDerWaalsContact O-N 3.14Å; Q778-D782 PolarHBondContact NE2-OD2 3.24Å; Q778-D782 PolarHBondContact O-N 2.83Å; Q778-L826 HydrophobicContact CB-CD1 4.5Å; Q778-L826 HydrophobicContact CB-CD2 4.49Å |
| 779 | E | 83.8 | Confident | 84.2 | Confident | 98 Ų | 98 | 55.6 Ų | 55.6 | 46% | 0.458 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 176.3 | -72.5 | 168.5 | -149.2 | 0 | 0 | 111.9 | T774 S776 A781 D782 I783 | T774-E779 HydrophobicContact CG2-CB 3.43Å; T774-E779 VanDerWaalsContact CG2-CB 3.43Å; T774-E779 HydrophobicContact CG2-CG 4.39Å; T774-E779 VanDerWaalsContact CG2-OE2 3.24Å; T774-E779 WeakPolarHBondContact CG2-OE2 3.4Å; T774-E779 PolarHBondContact OG1-OE2 2.61Å; S776-E779 PolarHBondContact O-N 3.47Å; S776-E779 PolarHBondContact OG-N 3.11Å; E779-A781 VanDerWaalsContact C-N 3.33Å; E779-A781 PolarHBondContact O-N 3.27Å; E779-D782 PolarHBondContact O-N 3.45Å; E779-I783 WeakPolarHBondContact O-CB 3.18Å; E779-I783 VanDerWaalsContact O-CG1 3.26Å; E779-I783 WeakPolarHBondContact O-CG1 3.31Å; E779-I783 PolarHBondContact O-N 3.17Å |
| 780 | Q | 86.9 | Confident | 84.4 | Confident | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.065 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60 | -42.7 | 173.2 | -67.5 | -179.1 | 3.1 | 0 | 0 | 111.5 | L771 T774 S776 Q778 L784 L814 | L771-Q780 HydrophobicContact CD1-CB 3.92Å; L771-Q780 HydrophobicContact CD1-CG 4.02Å; T774-Q780 HydrophobicContact CG2-CG 3.85Å; T774-Q780 PolarHBondContact O-NE2 3.04Å; S776-Q780 WeakPolarHBondContact O-CG 3.38Å; S776-Q780 PolarHBondContact O-N 2.88Å; Q778-Q780 VanDerWaalsContact C-N 3.32Å; Q778-Q780 PolarHBondContact O-N 3.27Å; Q780-L784 WeakPolarHBondContact O-CB 3.34Å; Q780-L784 VanDerWaalsContact O-CG 3.3Å; Q780-L784 WeakPolarHBondContact O-CG 3.38Å; Q780-L784 PolarHBondContact O-N 3.23Å; Q780-L814 HydrophobicContact CB-CD1 4.41Å; Q780-L814 HydrophobicContact CB-CD2 4.04Å |
| 781 | A | 86.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L777 Q778 E779 L784 Y785 L814 L826 Y829 I830 | L777-A781 WeakPolarHBondContact O-CB 3.36Å; L777-A781 PolarHBondContact O-N 2.71Å; L777-A781 VanDerWaalsContact O-N 3.1Å; Q778-A781 WeakPolarHBondContact O-CB 3.47Å; Q778-A781 PolarHBondContact O-N 2.89Å; Q778-A781 VanDerWaalsContact O-N 3.14Å; E779-A781 VanDerWaalsContact C-N 3.33Å; E779-A781 PolarHBondContact O-N 3.27Å; A781-L784 PolarHBondContact O-N 2.9Å; A781-Y785 WeakPolarHBondContact O-CB 3.48Å; A781-Y785 PolarHBondContact O-N 2.74Å; A781-L814 HydrophobicContact CB-CD2 3.95Å; A781-L826 HydrophobicContact CB-CD2 3.86Å; A781-Y829 HydrophobicContact CB-CD1 4.13Å; A781-Y829 HydrophobicContact CB-CE1 4.1Å; A781-I830 HydrophobicContact CB-CD1 4.31Å; A781-I830 HydrophobicContact CB-CG1 4.13Å |
| 782 | D | 84.5 | Confident | 84.8 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71 | -38.1 | 180 | -70.6 | -41.5 | 0 | 0 | 0 | 112.9 | Q778 E779 Y785 M786 Y829 | Q778-D782 PolarHBondContact NE2-OD2 3.24Å; Q778-D782 PolarHBondContact O-N 2.83Å; E779-D782 PolarHBondContact O-N 3.45Å; D782-Y785 PolarHBondContact O-N 3.43Å; D782-M786 WeakPolarHBondContact O-CG 3.21Å; D782-M786 PolarHBondContact O-N 3.13Å; D782-Y829 VanDerWaalsContact OD1-CE1 3.23Å; D782-Y829 WeakPolarHBondContact OD1-CE1 3.46Å; D782-Y829 VanDerWaalsContact OD1-CZ 3.31Å; D782-Y829 PolarHBondContact OD1-OH 2.7Å |
| 783 | I | 86.6 | Confident | 85 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 171.8 | -67 | 164.2 | 0 | 0 | 0 | 110.2 | L767 Q770 L771 E779 Y785 M786 L787 | L767-I783 HydrophobicContact CB-CG2 4.33Å; Q770-I783 HydrophobicContact CB-CD1 4.02Å; L771-I783 HydrophobicContact CB-CG2 4.08Å; L771-I783 HydrophobicContact CD1-CB 4.38Å; L771-I783 HydrophobicContact CD1-CG2 4.32Å; E779-I783 WeakPolarHBondContact O-CB 3.18Å; E779-I783 VanDerWaalsContact O-CG1 3.26Å; E779-I783 WeakPolarHBondContact O-CG1 3.31Å; E779-I783 PolarHBondContact O-N 3.17Å; I783-Y785 VanDerWaalsContact C-N 3.3Å; I783-Y785 PolarHBondContact O-N 3.33Å; I783-M786 HydrophobicContact CG1-CE 4.18Å; I783-M786 PolarHBondContact O-N 3.39Å; I783-L787 HydrophobicContact CG2-CD1 4.29Å; I783-L787 WeakPolarHBondContact O-CG 3.38Å; I783-L787 PolarHBondContact O-N 2.89Å |
| 784 | L | 87.7 | Confident | 85.3 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.4 | -33.6 | 176.3 | -74.6 | 169.1 | 0 | 0 | 0 | 112.5 | L771 Q780 A781 L787 Y788 V807 L810 L811 L814 | L771-L784 HydrophobicContact CD1-CD1 4.45Å; L771-L784 HydrophobicContact CD1-CG 4.13Å; L771-L784 HydrophobicContact CD2-CD2 3.73Å; L771-L784 HydrophobicContact CD2-CG 4.05Å; Q780-L784 WeakPolarHBondContact O-CB 3.34Å; Q780-L784 VanDerWaalsContact O-CG 3.3Å; Q780-L784 WeakPolarHBondContact O-CG 3.38Å; Q780-L784 PolarHBondContact O-N 3.23Å; A781-L784 PolarHBondContact O-N 2.9Å; L784-L787 PolarHBondContact O-N 3.24Å; L784-Y788 VanDerWaalsContact O-CB 3.22Å; L784-Y788 WeakPolarHBondContact O-CB 3.4Å; L784-Y788 PolarHBondContact O-N 3.09Å; L784-V807 HydrophobicContact CD2-CG1 4.1Å; L784-L810 HydrophobicContact CD1-CB 4.19Å; L784-L810 HydrophobicContact CD2-CB 3.71Å; L784-L810 HydrophobicContact CD2-CD1 4.06Å; L784-L811 HydrophobicContact CB-CD2 3.61Å; L784-L811 HydrophobicContact CB-CG 3.95Å; L784-L811 HydrophobicContact CD1-CD2 4.08Å; L784-L811 HydrophobicContact CD1-CG 4.23Å; L784-L811 HydrophobicContact CG-CD2 4.43Å; L784-L814 HydrophobicContact CD1-CB 4.48Å; L784-L814 HydrophobicContact CD1-CD2 3.88Å |
| 785 | Y | 85.3 | Confident | 85.5 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 31% | 0.31 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 173.4 | 178.1 | -122 | 0 | 0 | 0 | 112.4 | A781 D782 I783 Y788 T789 Y829 I833 | A781-Y785 WeakPolarHBondContact O-CB 3.48Å; A781-Y785 PolarHBondContact O-N 2.74Å; D782-Y785 PolarHBondContact O-N 3.43Å; I783-Y785 VanDerWaalsContact C-N 3.3Å; I783-Y785 PolarHBondContact O-N 3.33Å; Y785-Y788 PolarHBondContact O-N 3.23Å; Y785-T789 WeakPolarHBondContact CE2-OG1 3.48Å; Y785-T789 VanDerWaalsContact O-CB 3.3Å; Y785-T789 WeakPolarHBondContact O-CB 3.21Å; Y785-T789 PolarHBondContact O-N 3.42Å; Y785-T789 PolarHBondContact O-OG1 2.75Å; Y785-Y829 WeakPolarHBondContact CD1-OH 3.34Å; Y785-I833 HydrophobicContact CD2-CD1 3.84Å; Y785-I833 HydrophobicContact CD2-CG1 3.75Å; Y785-I833 HydrophobicContact CD2-CG2 4.27Å; Y785-I833 HydrophobicContact CE2-CG1 4.34Å; Y785-I833 HydrophobicContact CG-CD1 4.1Å; Y785-I833 HydrophobicContact CG-CG1 4.49Å |
| 786 | M | 84.6 | Confident | 85.8 | Confident | 36 Ų | 36 | 51 Ų | 51 | 18% | 0.177 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 173.2 | -71.5 | -172.9 | -70.6 | 0 | 0 | 111.4 | V752 L754 L767 D782 I783 T789 M790 | V752-M786 HydrophobicContact CG1-CE 4.19Å; V752-M786 HydrophobicContact CG1-SD 3.8Å; L754-M786 HydrophobicContact CD2-SD 3.65Å; L767-M786 HydrophobicContact CD2-CE 4.06Å; D782-M786 WeakPolarHBondContact O-CG 3.21Å; D782-M786 PolarHBondContact O-N 3.13Å; I783-M786 HydrophobicContact CG1-CE 4.18Å; I783-M786 PolarHBondContact O-N 3.39Å; M786-T789 PolarHBondContact O-N 3.28Å; M786-M790 WeakPolarHBondContact O-CB 3.48Å; M786-M790 WeakPolarHBondContact O-CG 3.41Å; M786-M790 PolarHBondContact O-N 3.42Å |
| 787 | L | 86.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.2 | -67 | 177.7 | 0 | 0 | 0 | 111.6 | F764 L767 V768 I783 L784 T789 M790 K791 W795 V807 | F764-L787 HydrophobicContact CB-CD2 4.49Å; F764-L787 HydrophobicContact CD1-CD2 3.98Å; L767-L787 HydrophobicContact CB-CD2 4.24Å; L767-L787 HydrophobicContact CD1-CD2 4.22Å; V768-L787 HydrophobicContact CG2-CD1 4.1Å; I783-L787 HydrophobicContact CG2-CD1 4.29Å; I783-L787 WeakPolarHBondContact O-CG 3.38Å; I783-L787 PolarHBondContact O-N 2.89Å; L784-L787 PolarHBondContact O-N 3.24Å; L787-T789 VanDerWaalsContact C-N 3.34Å; L787-T789 PolarHBondContact O-N 3.13Å; L787-M790 PolarHBondContact O-N 3.39Å; L787-K791 WeakPolarHBondContact O-CB 3.49Å; L787-K791 PolarHBondContact O-N 3.03Å; L787-W795 HydrophobicContact CD1-CZ3 4.31Å; L787-W795 HydrophobicContact CD2-CE3 4.48Å; L787-W795 HydrophobicContact CD2-CZ3 3.85Å; L787-V807 HydrophobicContact CB-CG1 4.25Å; L787-V807 HydrophobicContact CB-CG2 3.94Å |
| 788 | Y | 86.8 | Confident | 85.3 | Confident | 50 Ų | 50 | 53.4 Ų | 53.4 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -45.3 | 176 | 178.5 | -82.8 | 0 | 0 | 0 | 111.6 | L784 Y785 G792 P793 L811 I833 | L784-Y788 VanDerWaalsContact O-CB 3.22Å; L784-Y788 WeakPolarHBondContact O-CB 3.4Å; L784-Y788 PolarHBondContact O-N 3.09Å; Y785-Y788 PolarHBondContact O-N 3.23Å; Y788-G792 WeakPolarHBondContact O-CA 3.33Å; Y788-G792 PolarHBondContact O-N 3.02Å; Y788-P793 HydrophobicContact CD2-CB 3.92Å; Y788-P793 HydrophobicContact CE2-CB 3.67Å; Y788-P793 HydrophobicContact CE2-CG 4.09Å; Y788-L811 HydrophobicContact CD2-CD1 3.88Å; Y788-L811 HydrophobicContact CG-CD1 4.47Å; Y788-I833 HydrophobicContact CD1-CG2 4.04Å; Y788-I833 HydrophobicContact CD2-CG2 3.94Å; Y788-I833 HydrophobicContact CE1-CG2 4.35Å; Y788-I833 HydrophobicContact CE2-CG2 4.23Å; Y788-I833 HydrophobicContact CG-CG2 3.85Å; Y788-I833 PolarHBondContact OH-O 3.32Å |
| 789 | T | 84 | Confident | 84.8 | Confident | 87 Ų | 87 | 50.1 Ų | 50.1 | 53% | 0.534 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.8 | -34.2 | -176.7 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | Y785 M786 L787 | Y785-T789 WeakPolarHBondContact CE2-OG1 3.48Å; Y785-T789 VanDerWaalsContact O-CB 3.3Å; Y785-T789 WeakPolarHBondContact O-CB 3.21Å; Y785-T789 PolarHBondContact O-N 3.42Å; Y785-T789 PolarHBondContact O-OG1 2.75Å; M786-T789 PolarHBondContact O-N 3.28Å; L787-T789 VanDerWaalsContact C-N 3.34Å; L787-T789 PolarHBondContact O-N 3.13Å |
| 790 | M | 84.9 | Confident | 84.2 | Confident | 90 Ų | 90 | 49 Ų | 49 | 44% | 0.443 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -95.7 | -23.7 | -175.5 | -64.5 | -169.1 | 78.7 | 0 | 0 | 114.9 | L754 V762 F764 M786 L787 | L754-M790 HydrophobicContact CD2-SD 4.48Å; V762-M790 HydrophobicContact CB-CE 4.25Å; V762-M790 HydrophobicContact CG1-SD 4.42Å; V762-M790 HydrophobicContact CG2-CE 3.96Å; F764-M790 HydrophobicContact CE1-CB 3.74Å; F764-M790 HydrophobicContact CE1-CE 4.09Å; F764-M790 HydrophobicContact CE1-CG 4.44Å; F764-M790 HydrophobicContact CE1-SD 3.87Å; F764-M790 HydrophobicContact CZ-CB 4.27Å; F764-M790 HydrophobicContact CZ-CE 3.84Å; F764-M790 HydrophobicContact CZ-SD 4.25Å; M786-M790 WeakPolarHBondContact O-CB 3.48Å; M786-M790 WeakPolarHBondContact O-CG 3.41Å; M786-M790 PolarHBondContact O-N 3.42Å; L787-M790 PolarHBondContact O-N 3.39Å |
| 791 | K | 87 | Confident | 82.5 | Confident | 89 Ų | 89 | 58.1 Ų | 58.1 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -121.6 | -17.7 | -178.6 | -61.7 | -65.1 | -171.1 | -170.1 | 0 | 114.3 | F764 L787 W795 | F764-K791 HydrophobicContact CD1-CD 4.37Å; F764-K791 VanDerWaalsContact CD1-CE 3.43Å; F764-K791 HydrophobicContact CD1-CG 4.07Å; F764-K791 VanDerWaalsContact CD2-NZ 3.31Å; F764-K791 HydrophobicContact CE1-CD 4.31Å; F764-K791 HydrophobicContact CE1-CG 4.17Å; F764-K791 HydrophobicContact CZ-CD 4.46Å; L787-K791 WeakPolarHBondContact O-CB 3.49Å; L787-K791 PolarHBondContact O-N 3.03Å; K791-W795 HydrophobicContact CB-CB 3.62Å; K791-W795 HydrophobicContact CB-CD2 3.77Å; K791-W795 HydrophobicContact CB-CE3 4.11Å; K791-W795 HydrophobicContact CB-CG 3.53Å; K791-W795 HydrophobicContact CD-CD2 4.4Å; K791-W795 HydrophobicContact CD-CG 4.48Å; K791-W795 HydrophobicContact CG-CD2 3.78Å; K791-W795 HydrophobicContact CG-CE3 4.03Å; K791-W795 HydrophobicContact CG-CG 4.02Å |
| 792 | G | 85.4 | Confident | 80.7 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | trans | 89.5 | 162.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y788 D794 W795 | Y788-G792 WeakPolarHBondContact O-CA 3.33Å; Y788-G792 PolarHBondContact O-N 3.02Å; G792-D794 VanDerWaalsContact C-N 3.31Å; G792-D794 PolarHBondContact O-N 2.91Å; G792-W795 PolarHBondContact O-N 2.97Å | ||
| 793 | P | 85.6 | Confident | 79.4 | Confident | 26 Ų | 26 | 66.3 Ų | 66.3 | 17% | 0.169 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -35.7 | -175.8 | 19.5 | -30.9 | 0 | 0 | 0 | 114.2 | Y788 W795 V807 R808 | Y788-P793 HydrophobicContact CD2-CB 3.92Å; Y788-P793 HydrophobicContact CE2-CB 3.67Å; Y788-P793 HydrophobicContact CE2-CG 4.09Å; P793-W795 VanDerWaalsContact C-N 3.31Å; P793-W795 PolarHBondContact O-N 2.96Å; P793-V807 PolarHBondContact O-N 3.47Å; P793-R808 HydrophobicContact CB-CB 4.11Å; P793-R808 WeakPolarHBondContact O-CB 3.3Å; P793-R808 PolarHBondContact O-N 3.46Å |
| 794 | D | 86.9 | Confident | 78.3 | Confident | 104 Ų | 104 | 66.7 Ų | 66.7 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 11.4 | -168.8 | -48.8 | -51.2 | 0 | 0 | 0 | 112.2 | G792 R808 | G792-D794 VanDerWaalsContact C-N 3.31Å; G792-D794 PolarHBondContact O-N 2.91Å; D794-R808 VanDerWaalsContact CG-NH2 3.34Å; D794-R808 IonicContact OD1-CZ 3.2Å; D794-R808 IonicContact OD1-NE 3.42Å; D794-R808 PolarHBondContact OD1-NE 2.88Å; D794-R808 IonicContact OD1-NH2 3.06Å; D794-R808 PolarHBondContact OD1-NH2 2.69Å; D794-R808 IonicContact OD2-NH2 3.8Å; D794-R808 PolarHBondContact OD2-NH2 2.95Å; D794-R808 VanDerWaalsContact OD2-NH2 3.1Å |
| 795 | W | 88.1 | Confident | 78 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 26% | 0.261 | 35% | 0.347 | S | S | . | . | trans | -70.4 | 128.6 | 173 | -177.8 | 65.4 | 0 | 0 | 0 | 110.7 | F764 V768 L787 K791 G792 P793 T797 T806 V807 | F764-W795 HydrophobicContact CB-CH2 4.08Å; F764-W795 HydrophobicContact CB-CZ2 4.49Å; V768-W795 HydrophobicContact CG2-CH2 4.12Å; V768-W795 HydrophobicContact CG2-CZ3 4.05Å; L787-W795 HydrophobicContact CD1-CZ3 4.31Å; L787-W795 HydrophobicContact CD2-CE3 4.48Å; L787-W795 HydrophobicContact CD2-CZ3 3.85Å; K791-W795 HydrophobicContact CB-CB 3.62Å; K791-W795 HydrophobicContact CB-CD2 3.77Å; K791-W795 HydrophobicContact CB-CE3 4.11Å; K791-W795 HydrophobicContact CB-CG 3.53Å; K791-W795 HydrophobicContact CD-CD2 4.4Å; K791-W795 HydrophobicContact CD-CG 4.48Å; K791-W795 HydrophobicContact CG-CD2 3.78Å; K791-W795 HydrophobicContact CG-CE3 4.03Å; K791-W795 HydrophobicContact CG-CG 4.02Å; G792-W795 PolarHBondContact O-N 2.97Å; P793-W795 VanDerWaalsContact C-N 3.31Å; P793-W795 PolarHBondContact O-N 2.96Å; W795-T797 HydrophobicContact CE3-CG2 3.94Å; W795-T797 HydrophobicContact CZ3-CG2 3.85Å; W795-T806 VanDerWaalsContact O-CA 3.25Å; W795-T806 WeakPolarHBondContact O-CA 3.38Å; W795-V807 HydrophobicContact CB-CG2 4.37Å; W795-V807 HydrophobicContact CE3-CG2 3.87Å; W795-V807 PolarHBondContact O-N 2.87Å; W795-V807 VanDerWaalsContact O-N 3.09Å | ||
| 796 | N | 84.1 | Confident | 78.1 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -76.8 | 128.7 | 175.7 | -162.8 | -33.8 | 0 | 0 | 0 | 110.3 | E798 G804 S805 | N796-E798 PolarHBondContact OD1-N 3.39Å; N796-G804 VanDerWaalsContact CG-O 3.31Å; N796-G804 PolarHBondContact ND2-O 3.08Å; N796-G804 WeakPolarHBondContact OD1-CA 3.21Å; N796-G804 PolarHBondContact OD1-O 3.46Å; N796-S805 PolarHBondContact OD1-O 3.1Å |
| 797 | T | 81.8 | Confident | 78.2 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | trans | -91.6 | -7.7 | -178.6 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | V768 W795 L799 S805 V807 L810 | V768-T797 HydrophobicContact CG2-CG2 4.47Å; W795-T797 HydrophobicContact CE3-CG2 3.94Å; W795-T797 HydrophobicContact CZ3-CG2 3.85Å; T797-L799 PolarHBondContact O-N 3.14Å; T797-L799 WeakPolarHBondContact OG1-CB 3.38Å; T797-S805 PolarHBondContact N-O 3.29Å; T797-S805 PolarHBondContact OG1-O 3.35Å; T797-V807 HydrophobicContact CG2-CG2 3.8Å; T797-L810 HydrophobicContact CG2-CD1 3.75Å; T797-L810 WeakPolarHBondContact OG1-CD1 3.33Å | ||
| 798 | E | 79.7 | Confident | 78.2 | Confident | 135 Ų | 135 | 68 Ų | 68 | 63% | 0.631 | 35% | 0.351 | S | S | * | . | trans | 55.6 | 20.8 | -178.1 | -57.5 | 178.7 | 152.3 | 0 | 0 | 113.6 | Q765 N796 Y800 | Q765-E798 PolarHBondContact NE2-OE2 3.25Å; N796-E798 PolarHBondContact OD1-N 3.39Å; E798-Y800 VanDerWaalsContact C-N 3.3Å; E798-Y800 PolarHBondContact O-N 2.92Å | ||
| 799 | L | 73.1 | Confident | 78.1 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | trans | -66.7 | -30.8 | -167.9 | -151.7 | 153.3 | 0 | 0 | 0 | 112.7 | V768 L771 K772 T797 L810 | V768-L799 HydrophobicContact CG1-CD1 4.33Å; V768-L799 HydrophobicContact CG1-CG 4.27Å; L771-L799 HydrophobicContact CD2-CD1 3.87Å; L771-L799 HydrophobicContact CG-CD1 4.43Å; K772-L799 HydrophobicContact CD-CD2 4.43Å; K772-L799 VanDerWaalsContact CE-CD2 3.49Å; K772-L799 VanDerWaalsContact CE-CG 3.48Å; K772-L799 VanDerWaalsContact CE-O 3.28Å; K772-L799 WeakPolarHBondContact CE-O 3.46Å; K772-L799 HydrophobicContact CG-CD2 4.09Å; K772-L799 HydrophobicContact CG-CG 4.32Å; K772-L799 PolarHBondContact NZ-O 3.47Å; T797-L799 PolarHBondContact O-N 3.14Å; T797-L799 WeakPolarHBondContact OG1-CB 3.38Å; L799-L810 HydrophobicContact CD1-CD1 3.64Å; L799-L810 HydrophobicContact CD1-CD2 4.2Å | ||
| 800 | Y | 71.7 | Confident | 78.3 | Confident | 73 Ų | 73 | 67 Ų | 67 | 29% | 0.286 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -120.5 | 142.7 | 178.4 | -51.6 | -69.7 | 0 | 0 | 0 | 111.3 | L731 E798 S805 L810 E813 | L731-Y800 WeakPolarHBondContact CD1-OH 3.28Å; L731-Y800 HydrophobicContact CD2-CE1 4.11Å; L731-Y800 HydrophobicContact CG-CE1 4.5Å; L731-Y800 WeakPolarHBondContact CG-OH 3.32Å; E798-Y800 VanDerWaalsContact C-N 3.3Å; E798-Y800 PolarHBondContact O-N 2.92Å; Y800-S805 WeakPolarHBondContact CD2-OG 3.29Å; Y800-L810 HydrophobicContact CE2-CD2 4.16Å; Y800-E813 PolarHBondContact OH-OE2 3.22Å |
| 801 | E | 51.4 | Low | 78.4 | Confident | 206 Ų | 206 | 62.7 Ų | 62.7 | 96% | 0.963 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -73.2 | -29.9 | -172.6 | -59.9 | -177.4 | 166.5 | 0 | 0 | 114.1 | G803 | E801-G803 PolarHBondContact O-N 3.45Š|
| 802 | E | 48.5 | Very low | 78.3 | Confident | 168 Ų | 168 | 60.9 Ų | 60.9 | 79% | 0.785 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -98.1 | 74.4 | 178 | -70.8 | -164.2 | 151.5 | 0 | 0 | 112.6 | R728 | R728-E802 PolarHBondContact NH2-O 2.88Š|
| 803 | G | 56.4 | Low | 78.4 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 82.8 | 86.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E801 | E801-G803 PolarHBondContact O-N 3.45Š|
| 804 | G | 64.2 | Low | 78.5 | Confident | 20 Ų | 20 | 61.6 Ų | 61.6 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 140.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N796 | N796-G804 VanDerWaalsContact CG-O 3.31Å; N796-G804 PolarHBondContact ND2-O 3.08Å; N796-G804 WeakPolarHBondContact OD1-CA 3.21Å; N796-G804 PolarHBondContact OD1-O 3.46Å |
| 805 | S | 82 | Confident | 78.5 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 11% | 0.112 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 149.5 | -174.9 | -61.9 | 0 | 0 | 0 | 0 | 113.5 | N796 T797 Y800 | N796-S805 PolarHBondContact OD1-O 3.1Å; T797-S805 PolarHBondContact N-O 3.29Å; T797-S805 PolarHBondContact OG1-O 3.35Å; Y800-S805 WeakPolarHBondContact CD2-OG 3.29Å |
| 806 | T | 87.6 | Confident | 78.2 | Confident | 27 Ų | 27 | 57.9 Ų | 57.9 | 17% | 0.166 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -77 | 157.4 | 172.3 | 60.7 | 0 | 0 | 0 | 0 | 112.6 | W795 R808 E809 L810 | W795-T806 VanDerWaalsContact O-CA 3.25Å; W795-T806 WeakPolarHBondContact O-CA 3.38Å; T806-R808 PolarHBondContact O-N 3.03Å; T806-E809 WeakPolarHBondContact CB-OE2 3.28Å; T806-E809 PolarHBondContact N-OE2 2.73Å; T806-E809 PolarHBondContact O-N 2.75Å; T806-E809 VanDerWaalsContact O-N 3.11Å; T806-E809 VanDerWaalsContact OG1-CG 3.29Å; T806-E809 WeakPolarHBondContact OG1-CG 3.46Å; T806-E809 PolarHBondContact OG1-N 3.02Å; T806-E809 PolarHBondContact OG1-OE2 2.95Å; T806-L810 PolarHBondContact O-N 3.22Å; T806-L810 VanDerWaalsContact O-N 3.09Å |
| 807 | V | 86.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.7 | -37.3 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | L784 L787 P793 W795 T797 L810 L811 | L784-V807 HydrophobicContact CD2-CG1 4.1Å; L787-V807 HydrophobicContact CB-CG1 4.25Å; L787-V807 HydrophobicContact CB-CG2 3.94Å; P793-V807 PolarHBondContact O-N 3.47Å; W795-V807 HydrophobicContact CB-CG2 4.37Å; W795-V807 HydrophobicContact CE3-CG2 3.87Å; W795-V807 PolarHBondContact O-N 2.87Å; W795-V807 VanDerWaalsContact O-N 3.09Å; T797-V807 HydrophobicContact CG2-CG2 3.8Å; V807-L810 PolarHBondContact O-N 3.29Å; V807-L811 HydrophobicContact CG1-CD1 3.96Å; V807-L811 HydrophobicContact CG1-CG 4.4Å; V807-L811 WeakPolarHBondContact O-CB 3.25Å; V807-L811 WeakPolarHBondContact O-CG 3.29Å; V807-L811 PolarHBondContact O-N 2.84Å |
| 808 | R | 85.9 | Confident | 78.5 | Confident | 104 Ų | 104 | 56.8 Ų | 56.8 | 39% | 0.392 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 174.9 | -172.7 | -168.9 | -61 | -88.2 | 4.9 | 112.7 | P793 D794 T806 S812 L834 | P793-R808 HydrophobicContact CB-CB 4.11Å; P793-R808 WeakPolarHBondContact O-CB 3.3Å; P793-R808 PolarHBondContact O-N 3.46Å; D794-R808 VanDerWaalsContact CG-NH2 3.34Å; D794-R808 IonicContact OD1-CZ 3.2Å; D794-R808 IonicContact OD1-NE 3.42Å; D794-R808 PolarHBondContact OD1-NE 2.88Å; D794-R808 IonicContact OD1-NH2 3.06Å; D794-R808 PolarHBondContact OD1-NH2 2.69Å; D794-R808 IonicContact OD2-NH2 3.8Å; D794-R808 PolarHBondContact OD2-NH2 2.95Å; D794-R808 VanDerWaalsContact OD2-NH2 3.1Å; T806-R808 PolarHBondContact O-N 3.03Å; R808-S812 WeakPolarHBondContact O-CB 3.21Å; R808-S812 PolarHBondContact O-N 2.69Å; R808-S812 PolarHBondContact O-OG 3.29Å; R808-L834 HydrophobicContact CG-CD2 4.43Å |
| 809 | E | 85.2 | Confident | 78.6 | Confident | 105 Ų | 105 | 50.7 Ų | 50.7 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 178.6 | -73.4 | 162.8 | 126 | 0 | 0 | 111.3 | T806 S812 E813 | T806-E809 WeakPolarHBondContact CB-OE2 3.28Å; T806-E809 PolarHBondContact N-OE2 2.73Å; T806-E809 PolarHBondContact O-N 2.75Å; T806-E809 VanDerWaalsContact O-N 3.11Å; T806-E809 VanDerWaalsContact OG1-CG 3.29Å; T806-E809 WeakPolarHBondContact OG1-CG 3.46Å; T806-E809 PolarHBondContact OG1-N 3.02Å; T806-E809 PolarHBondContact OG1-OE2 2.95Å; E809-S812 CarbonylContact O-C 3.43Å; E809-S812 WeakPolarHBondContact O-CA 3.44Å; E809-S812 WeakPolarHBondContact O-CB 3.45Å; E809-S812 PolarHBondContact O-N 2.75Å; E809-S812 VanDerWaalsContact O-N 3.1Å; E809-E813 PolarHBondContact O-N 2.84Å |
| 810 | L | 87.7 | Confident | 79 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 177 | -65.3 | 172.3 | 0 | 0 | 0 | 112.4 | L771 L784 T797 L799 Y800 T806 V807 S812 E813 L814 | L771-L810 HydrophobicContact CD2-CD1 4.24Å; L784-L810 HydrophobicContact CD1-CB 4.19Å; L784-L810 HydrophobicContact CD2-CB 3.71Å; L784-L810 HydrophobicContact CD2-CD1 4.06Å; T797-L810 HydrophobicContact CG2-CD1 3.75Å; T797-L810 WeakPolarHBondContact OG1-CD1 3.33Å; L799-L810 HydrophobicContact CD1-CD1 3.64Å; L799-L810 HydrophobicContact CD1-CD2 4.2Å; Y800-L810 HydrophobicContact CE2-CD2 4.16Å; T806-L810 PolarHBondContact O-N 3.22Å; T806-L810 VanDerWaalsContact O-N 3.09Å; V807-L810 PolarHBondContact O-N 3.29Å; L810-S812 PolarHBondContact O-N 3.33Å; L810-E813 PolarHBondContact O-N 3.26Å; L810-L814 WeakPolarHBondContact O-CB 3.37Å; L810-L814 PolarHBondContact O-N 3.47Å |
| 811 | L | 87.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -34.6 | 170.9 | -78.9 | 167 | 0 | 0 | 0 | 112 | L784 Y788 V807 Y815 I830 I833 L834 | L784-L811 HydrophobicContact CB-CD2 3.61Å; L784-L811 HydrophobicContact CB-CG 3.95Å; L784-L811 HydrophobicContact CD1-CD2 4.08Å; L784-L811 HydrophobicContact CD1-CG 4.23Å; L784-L811 HydrophobicContact CG-CD2 4.43Å; Y788-L811 HydrophobicContact CD2-CD1 3.88Å; Y788-L811 HydrophobicContact CG-CD1 4.47Å; V807-L811 HydrophobicContact CG1-CD1 3.96Å; V807-L811 HydrophobicContact CG1-CG 4.4Å; V807-L811 WeakPolarHBondContact O-CB 3.25Å; V807-L811 WeakPolarHBondContact O-CG 3.29Å; V807-L811 PolarHBondContact O-N 2.84Å; L811-Y815 VanDerWaalsContact O-CB 3.24Å; L811-Y815 WeakPolarHBondContact O-CB 3.43Å; L811-Y815 PolarHBondContact O-N 3.01Å; L811-I830 HydrophobicContact CD2-CG2 4.23Å; L811-I830 WeakPolarHBondContact O-CG2 3.19Å; L811-I833 HydrophobicContact CD1-CG2 3.7Å; L811-I833 HydrophobicContact CD2-CG2 4.29Å; L811-L834 HydrophobicContact CB-CD1 4.43Å; L811-L834 HydrophobicContact CB-CD2 3.67Å; L811-L834 HydrophobicContact CB-CG 4.09Å; L811-L834 HydrophobicContact CD1-CD2 4.26Å |
| 812 | S | 85.9 | Confident | 81.2 | Confident | 51 Ų | 51 | 51.1 Ų | 51.1 | 36% | 0.357 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -73.4 | -37.2 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | R808 E809 L810 V816 | R808-S812 WeakPolarHBondContact O-CB 3.21Å; R808-S812 PolarHBondContact O-N 2.69Å; R808-S812 PolarHBondContact O-OG 3.29Å; E809-S812 CarbonylContact O-C 3.43Å; E809-S812 WeakPolarHBondContact O-CA 3.44Å; E809-S812 WeakPolarHBondContact O-CB 3.45Å; E809-S812 PolarHBondContact O-N 2.75Å; E809-S812 VanDerWaalsContact O-N 3.1Å; L810-S812 PolarHBondContact O-N 3.33Å; S812-V816 WeakPolarHBondContact O-CG2 3.48Å; S812-V816 PolarHBondContact O-N 2.79Å |
| 813 | E | 86 | Confident | 83 | Confident | 58 Ų | 58 | 45.7 Ų | 45.7 | 27% | 0.271 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.9 | -45.4 | 172.8 | -166.1 | -169 | 152.3 | 0 | 0 | 111 | Y800 E809 L810 V816 K817 | Y800-E813 PolarHBondContact OH-OE2 3.22Å; E809-E813 PolarHBondContact O-N 2.84Å; L810-E813 PolarHBondContact O-N 3.26Å; E813-V816 PolarHBondContact O-N 3.41Å; E813-K817 PolarHBondContact O-N 3.29Å; E813-K817 VanDerWaalsContact OE1-CE 3.23Å; E813-K817 WeakPolarHBondContact OE1-CE 3.46Å; E813-K817 IonicContact OE1-NZ 2.82Å; E813-K817 PolarHBondContact OE1-NZ 3.4Å |
| 814 | L | 87.9 | Confident | 84.6 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 176 | -175.1 | 60.9 | 0 | 0 | 0 | 111.2 | L777 Q780 A781 L784 L810 V816 K817 V818 I830 | L777-L814 HydrophobicContact CD2-CD1 3.7Å; Q780-L814 HydrophobicContact CB-CD1 4.41Å; Q780-L814 HydrophobicContact CB-CD2 4.04Å; A781-L814 HydrophobicContact CB-CD2 3.95Å; L784-L814 HydrophobicContact CD1-CB 4.48Å; L784-L814 HydrophobicContact CD1-CD2 3.88Å; L810-L814 WeakPolarHBondContact O-CB 3.37Å; L810-L814 PolarHBondContact O-N 3.47Å; L814-V816 VanDerWaalsContact C-N 3.27Å; L814-V816 PolarHBondContact O-N 2.79Å; L814-K817 PolarHBondContact O-N 3.27Å; L814-V818 HydrophobicContact CD1-CG2 3.87Å; L814-V818 HydrophobicContact CG-CG2 4.06Å; L814-V818 WeakPolarHBondContact O-CB 3.37Å; L814-V818 VanDerWaalsContact O-CG2 3.28Å; L814-V818 WeakPolarHBondContact O-CG2 3.48Å; L814-V818 PolarHBondContact O-N 3.39Å; L814-I830 HydrophobicContact CD2-CD1 3.95Å; L814-I830 HydrophobicContact CG-CD1 3.84Å |
| 815 | Y | 87.2 | Confident | 85.7 | Confident | 16 Ų | 16 | 44 Ų | 44 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54 | -40.9 | 175.2 | 175.1 | -91.2 | 0 | 0 | 0 | 113 | Y531 L811 G819 I827 I830 L834 K836 | Y531-Y815 WeakPolarHBondContact CB-OH 3.47Å; Y531-Y815 HydrophobicContact CD1-CE2 4.5Å; L811-Y815 VanDerWaalsContact O-CB 3.24Å; L811-Y815 WeakPolarHBondContact O-CB 3.43Å; L811-Y815 PolarHBondContact O-N 3.01Å; Y815-G819 PolarHBondContact O-N 3.34Å; Y815-I827 HydrophobicContact CE2-CG2 4.08Å; Y815-I830 HydrophobicContact CD2-CG2 4.22Å; Y815-L834 HydrophobicContact CG-CD1 4.41Å; Y815-K836 HydrophobicContact CD2-CD 4.43Å; Y815-K836 HydrophobicContact CE1-CD 4.26Å; Y815-K836 VanDerWaalsContact CE1-CE 3.41Å; Y815-K836 HydrophobicContact CE2-CD 3.73Å; Y815-K836 WeakPolarHBondContact OH-CD 3.5Å; Y815-K836 WeakPolarHBondContact OH-CE 3.49Å; Y815-K836 PolarHBondContact OH-NZ 2.91Å |
| 816 | V | 83 | Confident | 86 | Confident | 78 Ų | 78 | 43.4 Ų | 43.4 | 47% | 0.473 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.4 | -51.1 | 177 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | S812 E813 L814 V818 G819 E820 | S812-V816 WeakPolarHBondContact O-CG2 3.48Å; S812-V816 PolarHBondContact O-N 2.79Å; E813-V816 PolarHBondContact O-N 3.41Å; L814-V816 VanDerWaalsContact C-N 3.27Å; L814-V816 PolarHBondContact O-N 2.79Å; V816-V818 PolarHBondContact O-N 3.26Å; V816-G819 CarbonylContact O-C 3.6Å; V816-G819 WeakPolarHBondContact O-CA 3.36Å; V816-G819 PolarHBondContact O-N 2.74Å; V816-E820 WeakPolarHBondContact O-CG 3.5Å; V816-E820 PolarHBondContact O-N 3Å |
| 817 | K | 84.1 | Confident | 86 | Confident | 46 Ų | 46 | 42.1 Ų | 42.1 | 20% | 0.2 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 179.5 | -66.2 | 173.5 | -173.9 | 168.4 | 0 | 112.9 | E813 L814 G819 E820 I821 | E813-K817 PolarHBondContact O-N 3.29Å; E813-K817 VanDerWaalsContact OE1-CE 3.23Å; E813-K817 WeakPolarHBondContact OE1-CE 3.46Å; E813-K817 IonicContact OE1-NZ 2.82Å; E813-K817 PolarHBondContact OE1-NZ 3.4Å; L814-K817 PolarHBondContact O-N 3.27Å; K817-G819 PolarHBondContact O-N 3.1Å; K817-E820 PolarHBondContact O-N 2.98Å; K817-I821 PolarHBondContact O-N 2.93Å |
| 818 | V | 86.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -31.4 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 111 | L777 L814 V816 I821 R822 H823 L826 I827 I830 | L777-V818 HydrophobicContact CB-CG2 4.46Å; L777-V818 HydrophobicContact CD1-CG2 4.38Å; L814-V818 HydrophobicContact CD1-CG2 3.87Å; L814-V818 HydrophobicContact CG-CG2 4.06Å; L814-V818 WeakPolarHBondContact O-CB 3.37Å; L814-V818 VanDerWaalsContact O-CG2 3.28Å; L814-V818 WeakPolarHBondContact O-CG2 3.48Å; L814-V818 PolarHBondContact O-N 3.39Å; V816-V818 PolarHBondContact O-N 3.26Å; V818-I821 WeakPolarHBondContact O-CG1 3.36Å; V818-R822 PolarHBondContact O-N 3.07Å; V818-R822 VanDerWaalsContact O-N 3.14Å; V818-H823 HydrophobicContact CG1-CB 4.02Å; V818-H823 PolarHBondContact O-N 3.28Å; V818-H823 VanDerWaalsContact O-N 3.16Å; V818-L826 HydrophobicContact CG1-CB 3.43Å; V818-L826 VanDerWaalsContact CG1-CB 3.43Å; V818-I827 HydrophobicContact CB-CG1 4.5Å; V818-I827 HydrophobicContact CG1-CG1 3.68Å; V818-I830 HydrophobicContact CB-CD1 4.28Å; V818-I830 HydrophobicContact CG1-CD1 4.45Å; V818-I830 HydrophobicContact CG2-CD1 3.88Å |
| 819 | G | 82.9 | Confident | 86.2 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y815 V816 K817 R822 | Y815-G819 PolarHBondContact O-N 3.34Å; V816-G819 CarbonylContact O-C 3.6Å; V816-G819 WeakPolarHBondContact O-CA 3.36Å; V816-G819 PolarHBondContact O-N 2.74Å; K817-G819 PolarHBondContact O-N 3.1Å; G819-R822 PolarHBondContact O-N 3.25Å; G819-R822 VanDerWaalsContact O-N 3.09Å |
| 820 | E | 81 | Confident | 86.4 | Confident | 138 Ų | 138 | 33.7 Ų | 33.7 | 65% | 0.645 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -61.4 | -46.3 | 177 | -70.4 | 166.5 | 168.5 | 0 | 0 | 111.5 | V816 K817 R822 | V816-E820 WeakPolarHBondContact O-CG 3.5Å; V816-E820 PolarHBondContact O-N 3Å; K817-E820 PolarHBondContact O-N 2.98Å; E820-R822 PolarHBondContact O-N 3.27Å |
| 821 | I | 84.1 | Confident | 86.4 | Confident | 101 Ų | 101 | 33.3 Ų | 33.3 | 52% | 0.518 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -0.8 | 174.2 | 67.3 | 165 | 0 | 0 | 0 | 114 | L777 K817 V818 H823 | L777-I821 HydrophobicContact CD1-CD1 3.4Å; L777-I821 VanDerWaalsContact CD1-CD1 3.4Å; K817-I821 PolarHBondContact O-N 2.93Å; V818-I821 WeakPolarHBondContact O-CG1 3.36Å; I821-H823 VanDerWaalsContact C-N 3.3Å; I821-H823 HydrophobicContact CD1-CB 3.85Å; I821-H823 HydrophobicContact CG1-CB 4.02Å; I821-H823 PolarHBondContact O-N 3.3Å |
| 822 | R | 84.3 | Confident | 86.3 | Confident | 66 Ų | 66 | 33.5 Ų | 33.5 | 25% | 0.249 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 35.6 | 179.3 | -60 | -179.4 | 176.7 | 119.9 | 4.8 | 114.8 | E573 V818 G819 E820 W824 | E573-R822 IonicContact OE1-NH1 2.73Å; E573-R822 PolarHBondContact OE1-NH1 2.87Å; V818-R822 PolarHBondContact O-N 3.07Å; V818-R822 VanDerWaalsContact O-N 3.14Å; G819-R822 PolarHBondContact O-N 3.25Å; G819-R822 VanDerWaalsContact O-N 3.09Å; E820-R822 PolarHBondContact O-N 3.27Å; R822-W824 HydrophobicContact CB-CH2 4.47Å; R822-W824 HydrophobicContact CB-CZ2 3.85Å; R822-W824 HydrophobicContact CG-CZ2 4.17Å; R822-W824 PolarHBondContact O-N 3.41Å; R822-W824 PolarHBondContact O-NE1 2.99Å; R822-W824 VanDerWaalsContact O-NE1 3.16Å |
| 823 | H | 87.3 | Confident | 86.2 | Confident | 54 Ų | 54 | 31.1 Ų | 31.1 | 25% | 0.25 | 15% | 0.154 | C | C | . | . | trans | -80 | 78.9 | -178.1 | -171.2 | -46.5 | 0 | 0 | 0 | 111.9 | V818 I821 G825 L826 I827 | V818-H823 HydrophobicContact CG1-CB 4.02Å; V818-H823 PolarHBondContact O-N 3.28Å; V818-H823 VanDerWaalsContact O-N 3.16Å; I821-H823 VanDerWaalsContact C-N 3.3Å; I821-H823 HydrophobicContact CD1-CB 3.85Å; I821-H823 HydrophobicContact CG1-CB 4.02Å; I821-H823 PolarHBondContact O-N 3.3Å; H823-G825 PolarHBondContact O-N 3.5Å; H823-G825 VanDerWaalsContact O-N 3.08Å; H823-L826 PolarHBondContact O-N 2.9Å; H823-I827 PolarHBondContact O-N 3.14Å; H823-I827 VanDerWaalsContact O-N 3.11Å | ||
| 824 | W | 90.3 | Very high | 86.2 | Confident | 29 Ų | 29 | 29.7 Ų | 29.7 | 11% | 0.11 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -51.2 | -38.2 | -164.2 | -55.6 | 107.2 | 0 | 0 | 0 | 117.1 | L534 D535 R822 I827 R828 P952 | L534-W824 HydrophobicContact CB-CH2 3.98Å; L534-W824 HydrophobicContact CB-CZ3 4.1Å; D535-W824 HydrophobicContact CB-CH2 3.78Å; D535-W824 HydrophobicContact CB-CZ2 4.25Å; R822-W824 HydrophobicContact CB-CH2 4.47Å; R822-W824 HydrophobicContact CB-CZ2 3.85Å; R822-W824 HydrophobicContact CG-CZ2 4.17Å; R822-W824 PolarHBondContact O-N 3.41Å; R822-W824 PolarHBondContact O-NE1 2.99Å; R822-W824 VanDerWaalsContact O-NE1 3.16Å; W824-I827 HydrophobicContact CD2-CD1 4.33Å; W824-I827 HydrophobicContact CE3-CD1 3.74Å; W824-I827 HydrophobicContact CZ3-CD1 4Å; W824-I827 PolarHBondContact O-N 3.26Å; W824-R828 WeakPolarHBondContact O-CG 3.37Å; W824-R828 PolarHBondContact O-N 3.48Å; W824-P952 VanDerWaalsContact CE3-CD 3.5Å; W824-P952 HydrophobicContact CE3-CG 4.15Å; W824-P952 HydrophobicContact CH2-CG 4.49Å; W824-P952 HydrophobicContact CZ3-CG 3.95Å |
| 825 | G | 86.9 | Confident | 85.9 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 14% | 0.144 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H823 R828 Y829 M948 N949 | H823-G825 PolarHBondContact O-N 3.5Å; H823-G825 VanDerWaalsContact O-N 3.08Å; G825-R828 PolarHBondContact O-N 2.85Å; G825-Y829 WeakPolarHBondContact O-CB 3.5Å; G825-Y829 PolarHBondContact O-N 3.18Å; G825-M948 WeakPolarHBondContact CA-O 3.4Å; G825-M948 PolarHBondContact N-O 3.5Å; G825-N949 VanDerWaalsContact CA-OD1 3.3Å; G825-N949 WeakPolarHBondContact CA-OD1 3.42Å; G825-N949 PolarHBondContact N-OD1 2.96Å |
| 826 | L | 87.2 | Confident | 85.6 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.1 | -35.7 | 174.7 | -80.8 | 167.8 | 0 | 0 | 0 | 112.1 | L777 Q778 A781 V818 H823 R828 Y829 I830 | L777-L826 HydrophobicContact CB-CD1 4.17Å; Q778-L826 HydrophobicContact CB-CD1 4.5Å; Q778-L826 HydrophobicContact CB-CD2 4.49Å; A781-L826 HydrophobicContact CB-CD2 3.86Å; V818-L826 HydrophobicContact CG1-CB 3.43Å; V818-L826 VanDerWaalsContact CG1-CB 3.43Å; H823-L826 PolarHBondContact O-N 2.9Å; L826-R828 VanDerWaalsContact C-N 3.34Å; L826-R828 PolarHBondContact O-N 2.91Å; L826-Y829 HydrophobicContact CD2-CD1 4.27Å; L826-Y829 PolarHBondContact O-N 2.66Å; L826-I830 HydrophobicContact CB-CD1 4.48Å; L826-I830 WeakPolarHBondContact O-CB 3.45Å; L826-I830 WeakPolarHBondContact O-CD1 3.35Å; L826-I830 VanDerWaalsContact O-CG1 3.27Å; L826-I830 WeakPolarHBondContact O-CG1 3.42Å; L826-I830 PolarHBondContact O-N 3Å |
| 827 | I | 89.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -46.4 | 173.8 | -59 | 175.2 | 0 | 0 | 0 | 110.2 | Y531 L534 Y815 V818 H823 W824 S831 | Y531-I827 VanDerWaalsContact CB-CG2 3.46Å; Y531-I827 HydrophobicContact CD1-CG2 3.65Å; Y531-I827 HydrophobicContact CD2-CG2 4.01Å; Y531-I827 HydrophobicContact CE1-CG2 4.41Å; Y531-I827 HydrophobicContact CG-CG2 3.42Å; Y531-I827 VanDerWaalsContact CG-CG2 3.42Å; L534-I827 HydrophobicContact CD1-CD1 4.24Å; Y815-I827 HydrophobicContact CE2-CG2 4.08Å; V818-I827 HydrophobicContact CB-CG1 4.5Å; V818-I827 HydrophobicContact CG1-CG1 3.68Å; H823-I827 PolarHBondContact O-N 3.14Å; H823-I827 VanDerWaalsContact O-N 3.11Å; W824-I827 HydrophobicContact CD2-CD1 4.33Å; W824-I827 HydrophobicContact CE3-CD1 3.74Å; W824-I827 HydrophobicContact CZ3-CD1 4Å; W824-I827 PolarHBondContact O-N 3.26Å; I827-S831 WeakPolarHBondContact O-CB 3.38Å; I827-S831 PolarHBondContact O-N 3.01Å |
| 828 | R | 88.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.5 | -50.9 | 175.4 | -75.4 | 176.5 | 174.1 | 104.2 | 9.7 | 111.6 | Y531 W824 G825 L826 S831 G832 T893 E897 M948 L950 | Y531-R828 HydrophobicContact CE2-CG 4.35Å; Y531-R828 WeakPolarHBondContact OH-CG 3.29Å; W824-R828 WeakPolarHBondContact O-CG 3.37Å; W824-R828 PolarHBondContact O-N 3.48Å; G825-R828 PolarHBondContact O-N 2.85Å; L826-R828 VanDerWaalsContact C-N 3.34Å; L826-R828 PolarHBondContact O-N 2.91Å; R828-S831 PolarHBondContact O-N 3.44Å; R828-G832 PolarHBondContact O-N 3.37Å; R828-T893 HydrophobicContact CB-CG2 4.46Å; R828-E897 IonicContact CZ-OE1 2.82Å; R828-E897 VanDerWaalsContact CZ-OE1 3.3Å; R828-E897 IonicContact CZ-OE2 3.94Å; R828-E897 IonicContact NE-OE1 3.57Å; R828-E897 PolarHBondContact NE-OE1 3Å; R828-E897 IonicContact NE-OE2 2.64Å; R828-E897 IonicContact NH2-OE1 2.73Å; R828-E897 PolarHBondContact NH2-OE1 3.2Å; R828-E897 VanDerWaalsContact NH2-OE1 3.1Å; R828-E897 IonicContact NH2-OE2 2.77Å; R828-E897 PolarHBondContact NH2-OE2 2.64Å; R828-M948 PolarHBondContact NH1-O 2.84Å; R828-L950 PolarHBondContact NH1-O 2.75Å; R828-L950 PolarHBondContact NH2-O 2.76Å |
| 829 | Y | 87.3 | Confident | 84.1 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 12% | 0.118 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.4 | -54.4 | -178.9 | -175.6 | -136.7 | 0 | 0 | 0 | 112.3 | A781 D782 Y785 G825 L826 S831 G832 I833 N890 | A781-Y829 HydrophobicContact CB-CD1 4.13Å; A781-Y829 HydrophobicContact CB-CE1 4.1Å; D782-Y829 VanDerWaalsContact OD1-CE1 3.23Å; D782-Y829 WeakPolarHBondContact OD1-CE1 3.46Å; D782-Y829 VanDerWaalsContact OD1-CZ 3.31Å; D782-Y829 PolarHBondContact OD1-OH 2.7Å; Y785-Y829 WeakPolarHBondContact CD1-OH 3.34Å; G825-Y829 WeakPolarHBondContact O-CB 3.5Å; G825-Y829 PolarHBondContact O-N 3.18Å; L826-Y829 HydrophobicContact CD2-CD1 4.27Å; L826-Y829 PolarHBondContact O-N 2.66Å; Y829-S831 VanDerWaalsContact C-N 3.35Å; Y829-S831 PolarHBondContact O-N 3.44Å; Y829-G832 PolarHBondContact O-N 2.82Å; Y829-G832 VanDerWaalsContact O-N 3.16Å; Y829-I833 HydrophobicContact CD1-CD1 4.21Å; Y829-I833 HydrophobicContact CD2-CD1 4.14Å; Y829-I833 HydrophobicContact CE1-CD1 4.12Å; Y829-I833 HydrophobicContact CE2-CD1 4.02Å; Y829-I833 HydrophobicContact CE2-CG1 4.49Å; Y829-I833 HydrophobicContact CG-CD1 4.24Å; Y829-I833 WeakPolarHBondContact O-CG1 3.12Å; Y829-I833 PolarHBondContact O-N 3.03Å; Y829-N890 WeakPolarHBondContact CA-OD1 3.43Å; Y829-N890 WeakPolarHBondContact CB-OD1 3.43Å; Y829-N890 PolarHBondContact N-OD1 3.24Å |
| 830 | I | 88.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66 | -37.9 | -179.3 | -59.5 | 160.9 | 0 | 0 | 0 | 111.1 | A781 L811 L814 Y815 V818 L826 G832 I833 L834 | A781-I830 HydrophobicContact CB-CD1 4.31Å; A781-I830 HydrophobicContact CB-CG1 4.13Å; L811-I830 HydrophobicContact CD2-CG2 4.23Å; L811-I830 WeakPolarHBondContact O-CG2 3.19Å; L814-I830 HydrophobicContact CD2-CD1 3.95Å; L814-I830 HydrophobicContact CG-CD1 3.84Å; Y815-I830 HydrophobicContact CD2-CG2 4.22Å; V818-I830 HydrophobicContact CB-CD1 4.28Å; V818-I830 HydrophobicContact CG1-CD1 4.45Å; V818-I830 HydrophobicContact CG2-CD1 3.88Å; L826-I830 HydrophobicContact CB-CD1 4.48Å; L826-I830 WeakPolarHBondContact O-CB 3.45Å; L826-I830 WeakPolarHBondContact O-CD1 3.35Å; L826-I830 VanDerWaalsContact O-CG1 3.27Å; L826-I830 WeakPolarHBondContact O-CG1 3.42Å; L826-I830 PolarHBondContact O-N 3Å; I830-G832 VanDerWaalsContact C-N 3.29Å; I830-G832 PolarHBondContact O-N 2.96Å; I830-I833 PolarHBondContact O-N 2.83Å; I830-L834 HydrophobicContact CG2-CD1 4Å; I830-L834 HydrophobicContact CG2-CG 4.4Å; I830-L834 WeakPolarHBondContact O-CB 3.13Å; I830-L834 WeakPolarHBondContact O-CG 3.47Å; I830-L834 PolarHBondContact O-N 2.85Å |
| 831 | S | 87.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.4 | -38.9 | 174.2 | -170.9 | 0 | 0 | 0 | 0 | 112.3 | Y531 I827 R828 Y829 R835 K836 | Y531-S831 WeakPolarHBondContact CD1-OG 3.48Å; Y531-S831 WeakPolarHBondContact CE1-OG 3.41Å; I827-S831 WeakPolarHBondContact O-CB 3.38Å; I827-S831 PolarHBondContact O-N 3.01Å; R828-S831 PolarHBondContact O-N 3.44Å; Y829-S831 VanDerWaalsContact C-N 3.35Å; Y829-S831 PolarHBondContact O-N 3.44Å; S831-R835 PolarHBondContact O-N 2.99Å; S831-R835 VanDerWaalsContact O-N 3.13Å; S831-K836 PolarHBondContact O-N 3.44Å; S831-K836 WeakPolarHBondContact OG-CB 3.47Å |
| 832 | G | 84.6 | Confident | 83.6 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.4 | -46.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R828 Y829 I830 L834 R835 M889 | R828-G832 PolarHBondContact O-N 3.37Å; Y829-G832 PolarHBondContact O-N 2.82Å; Y829-G832 VanDerWaalsContact O-N 3.16Å; I830-G832 VanDerWaalsContact C-N 3.29Å; I830-G832 PolarHBondContact O-N 2.96Å; G832-L834 VanDerWaalsContact C-N 3.34Å; G832-L834 PolarHBondContact O-N 3.1Å; G832-R835 WeakPolarHBondContact O-CA 3.27Å; G832-R835 WeakPolarHBondContact O-CG 3.4Å; G832-R835 PolarHBondContact O-N 3.08Å; G832-M889 VanDerWaalsContact CA-CG 3.49Å |
| 833 | I | 85.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 176.1 | -61.6 | 163.3 | 0 | 0 | 0 | 110.6 | Y785 Y788 L811 Y829 I830 R835 | Y785-I833 HydrophobicContact CD2-CD1 3.84Å; Y785-I833 HydrophobicContact CD2-CG1 3.75Å; Y785-I833 HydrophobicContact CD2-CG2 4.27Å; Y785-I833 HydrophobicContact CE2-CG1 4.34Å; Y785-I833 HydrophobicContact CG-CD1 4.1Å; Y785-I833 HydrophobicContact CG-CG1 4.49Å; Y788-I833 HydrophobicContact CD1-CG2 4.04Å; Y788-I833 HydrophobicContact CD2-CG2 3.94Å; Y788-I833 HydrophobicContact CE1-CG2 4.35Å; Y788-I833 HydrophobicContact CE2-CG2 4.23Å; Y788-I833 HydrophobicContact CG-CG2 3.85Å; Y788-I833 PolarHBondContact OH-O 3.32Å; L811-I833 HydrophobicContact CD1-CG2 3.7Å; L811-I833 HydrophobicContact CD2-CG2 4.29Å; Y829-I833 HydrophobicContact CD1-CD1 4.21Å; Y829-I833 HydrophobicContact CD2-CD1 4.14Å; Y829-I833 HydrophobicContact CE1-CD1 4.12Å; Y829-I833 HydrophobicContact CE2-CD1 4.02Å; Y829-I833 HydrophobicContact CE2-CG1 4.49Å; Y829-I833 HydrophobicContact CG-CD1 4.24Å; Y829-I833 WeakPolarHBondContact O-CG1 3.12Å; Y829-I833 PolarHBondContact O-N 3.03Å; I830-I833 PolarHBondContact O-N 2.83Å; I833-R835 PolarHBondContact O-N 3.43Å |
| 834 | L | 84.4 | Confident | 83.2 | Confident | 28 Ų | 28 | 28 Ų | 28 | 15% | 0.147 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -10.8 | 175.5 | -73.7 | 174.1 | 0 | 0 | 0 | 113.9 | R808 L811 Y815 I830 G832 K836 | R808-L834 HydrophobicContact CG-CD2 4.43Å; L811-L834 HydrophobicContact CB-CD1 4.43Å; L811-L834 HydrophobicContact CB-CD2 3.67Å; L811-L834 HydrophobicContact CB-CG 4.09Å; L811-L834 HydrophobicContact CD1-CD2 4.26Å; Y815-L834 HydrophobicContact CG-CD1 4.41Å; I830-L834 HydrophobicContact CG2-CD1 4Å; I830-L834 HydrophobicContact CG2-CG 4.4Å; I830-L834 WeakPolarHBondContact O-CB 3.13Å; I830-L834 WeakPolarHBondContact O-CG 3.47Å; I830-L834 PolarHBondContact O-N 2.85Å; G832-L834 VanDerWaalsContact C-N 3.34Å; G832-L834 PolarHBondContact O-N 3.1Å; L834-K836 HydrophobicContact CB-CG 4.34Å; L834-K836 PolarHBondContact O-N 2.89Å |
| 835 | R | 81.5 | Confident | 83.1 | Confident | 165 Ų | 165 | 26.6 Ų | 26.6 | 62% | 0.623 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 42.4 | -172.8 | -64.7 | -177.8 | 164.4 | -173.5 | -7.8 | 112.9 | S831 G832 I833 | S831-R835 PolarHBondContact O-N 2.99Å; S831-R835 VanDerWaalsContact O-N 3.13Å; G832-R835 WeakPolarHBondContact O-CA 3.27Å; G832-R835 WeakPolarHBondContact O-CG 3.4Å; G832-R835 PolarHBondContact O-N 3.08Å; I833-R835 PolarHBondContact O-N 3.43Å |
| 836 | K | 80.9 | Confident | 82.7 | Confident | 40 Ų | 40 | 26.1 Ų | 26.1 | 17% | 0.174 | 12% | 0.121 | C | C | . | . | trans | -55.8 | 138.2 | 173.4 | -87.4 | -174.3 | 166.7 | -119.1 | 0 | 110.1 | Q528 Q529 F530 Y815 S831 L834 V838 | Q528-K836 PolarHBondContact O-NZ 2.61Å; Q529-K836 WeakPolarHBondContact O-CB 3.45Å; F530-K836 HydrophobicContact CD2-CB 4.5Å; Y815-K836 HydrophobicContact CD2-CD 4.43Å; Y815-K836 HydrophobicContact CE1-CD 4.26Å; Y815-K836 VanDerWaalsContact CE1-CE 3.41Å; Y815-K836 HydrophobicContact CE2-CD 3.73Å; Y815-K836 WeakPolarHBondContact OH-CD 3.5Å; Y815-K836 WeakPolarHBondContact OH-CE 3.49Å; Y815-K836 PolarHBondContact OH-NZ 2.91Å; S831-K836 PolarHBondContact O-N 3.44Å; S831-K836 WeakPolarHBondContact OG-CB 3.47Å; L834-K836 HydrophobicContact CB-CG 4.34Å; L834-K836 PolarHBondContact O-N 2.89Å; K836-V838 PolarHBondContact O-N 3.09Å | ||
| 837 | K | 74.6 | Confident | 82.3 | Confident | 109 Ų | 109 | 26.5 Ų | 26.5 | 47% | 0.474 | 12% | 0.123 | S | C | . | . | trans | -78.2 | 125.7 | -177.2 | -70.6 | -165.9 | 174.2 | -171.8 | 0 | 110.7 | E839 Y874 | K837-E839 PolarHBondContact O-N 2.83Å; K837-Y874 WeakPolarHBondContact CA-OH 3.5Å; K837-Y874 HydrophobicContact CB-CE2 4.38Å; K837-Y874 HydrophobicContact CD-CD1 4.46Å; K837-Y874 HydrophobicContact CD-CE1 4.18Å; K837-Y874 HydrophobicContact CG-CE1 3.99Å | ||
| 838 | V | 78.3 | Confident | 82.2 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.024 | 12% | 0.123 | C | C | . | . | trans | -73.5 | 115.8 | 171.9 | -177.2 | 0 | 0 | 0 | 0 | 108 | F530 K836 A840 L841 Y874 Q896 V900 | F530-V838 HydrophobicContact CD1-CG1 4.16Å; F530-V838 HydrophobicContact CD2-CG2 4.16Å; F530-V838 HydrophobicContact CE1-CB 4.39Å; F530-V838 HydrophobicContact CE1-CG1 3.88Å; F530-V838 HydrophobicContact CE1-CG2 4.05Å; F530-V838 HydrophobicContact CE2-CG2 3.64Å; F530-V838 HydrophobicContact CZ-CB 4.4Å; F530-V838 HydrophobicContact CZ-CG1 4.28Å; F530-V838 HydrophobicContact CZ-CG2 3.59Å; K836-V838 PolarHBondContact O-N 3.09Å; V838-A840 PolarHBondContact O-N 3.49Å; V838-L841 HydrophobicContact CB-CB 4.12Å; V838-L841 HydrophobicContact CB-CD2 4.42Å; V838-L841 HydrophobicContact CG1-CB 4.26Å; V838-L841 PolarHBondContact O-N 3.3Å; V838-Y874 PolarHBondContact N-OH 2.95Å; V838-Y874 VanDerWaalsContact N-OH 3.1Å; V838-Y874 WeakPolarHBondContact O-CE2 3.31Å; V838-Q896 HydrophobicContact CB-CB 4.39Å; V838-Q896 HydrophobicContact CG1-CB 4.39Å; V838-Q896 HydrophobicContact CG2-CB 3.79Å; V838-Q896 HydrophobicContact CG2-CG 4.49Å; V838-V900 HydrophobicContact CG1-CG2 3.81Å | ||
| 839 | E | 69.7 | Low | 81.9 | Confident | 27 Ų | 27 | 27.6 Ų | 27.6 | 13% | 0.126 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 137.7 | -178.9 | -59.8 | -164.3 | 132.3 | 0 | 0 | 111.2 | Q523 F524 Q529 F530 K837 L841 | Q523-E839 WeakPolarHBondContact CG-OE1 3.5Å; Q523-E839 PolarHBondContact NE2-OE1 3.39Å; F524-E839 WeakPolarHBondContact CA-OE2 3.32Å; Q529-E839 HydrophobicContact CB-CG 3.71Å; Q529-E839 WeakPolarHBondContact CB-OE1 3.34Å; Q529-E839 HydrophobicContact CG-CG 4.28Å; Q529-E839 VanDerWaalsContact CG-OE1 3.29Å; Q529-E839 WeakPolarHBondContact CG-OE1 3.44Å; F530-E839 HydrophobicContact CB-CG 4.39Å; K837-E839 PolarHBondContact O-N 2.83Å; E839-L841 PolarHBondContact O-N 2.8Å; E839-L841 VanDerWaalsContact O-N 3.14Å |
| 840 | A | 73 | Confident | 81.1 | Confident | 26 Ų | 26 | 26.4 Ų | 26.4 | 22% | 0.215 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 30.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V838 E843 A844 | V838-A840 PolarHBondContact O-N 3.49Å; A840-E843 HydrophobicContact CB-CB 3.95Å; A840-E843 HydrophobicContact CB-CG 4.43Å; A840-E843 WeakPolarHBondContact CB-OE2 3.44Å; A840-A844 WeakPolarHBondContact O-CB 3.46Å; A840-A844 PolarHBondContact O-N 3.1Å |
| 841 | L | 85.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.3 | -44.1 | 179.9 | 178.7 | 64.9 | 0 | 0 | 0 | 113.4 | V838 E839 A844 C845 Y874 L877 Q896 M899 | V838-L841 HydrophobicContact CB-CB 4.12Å; V838-L841 HydrophobicContact CB-CD2 4.42Å; V838-L841 HydrophobicContact CG1-CB 4.26Å; V838-L841 PolarHBondContact O-N 3.3Å; E839-L841 PolarHBondContact O-N 2.8Å; E839-L841 VanDerWaalsContact O-N 3.14Å; L841-A844 PolarHBondContact O-N 2.93Å; L841-C845 WeakPolarHBondContact O-CB 3.3Å; L841-C845 PolarHBondContact O-N 3.36Å; L841-Y874 HydrophobicContact CB-CD2 4.18Å; L841-Y874 HydrophobicContact CB-CE2 3.85Å; L841-Y874 HydrophobicContact CD2-CE2 3.94Å; L841-L877 HydrophobicContact CD2-CD2 4.36Å; L841-L877 HydrophobicContact CG-CD2 3.91Å; L841-Q896 HydrophobicContact CD1-CB 3.89Å; L841-Q896 HydrophobicContact CD1-CG 4.1Å; L841-Q896 HydrophobicContact CD2-CB 4.22Å; L841-Q896 HydrophobicContact CD2-CG 3.75Å; L841-M899 HydrophobicContact CD1-CB 4.13Å; L841-M899 HydrophobicContact CD1-CE 4.22Å; L841-M899 HydrophobicContact CD1-SD 4.36Å |
| 842 | D | 80.2 | Confident | 80 | Confident | 42 Ų | 42 | 30.8 Ų | 30.8 | 23% | 0.225 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -76.3 | -30.5 | 176.5 | 57.4 | -34 | 0 | 0 | 0 | 112 | T846 L872 L877 | D842-T846 WeakPolarHBondContact O-CB 3.36Å; D842-T846 PolarHBondContact O-N 2.9Å; D842-T846 PolarHBondContact O-OG1 3.47Å; D842-L872 WeakPolarHBondContact CB-O 3.41Å; D842-L877 HydrophobicContact CB-CD2 4.35Å |
| 843 | E | 77.4 | Confident | 80 | Confident | 57 Ų | 57 | 32 Ų | 32 | 27% | 0.266 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 164.1 | -68.7 | 170.2 | -147.7 | 0 | 0 | 111.7 | A840 C845 T846 D847 | A840-E843 HydrophobicContact CB-CB 3.95Å; A840-E843 HydrophobicContact CB-CG 4.43Å; A840-E843 WeakPolarHBondContact CB-OE2 3.44Å; E843-C845 PolarHBondContact O-N 2.74Å; E843-T846 CarbonylContact O-C 3.53Å; E843-T846 WeakPolarHBondContact O-CA 3.16Å; E843-T846 WeakPolarHBondContact O-CB 3.46Å; E843-T846 PolarHBondContact O-N 3Å; E843-T846 VanDerWaalsContact O-N 3.16Å; E843-D847 WeakPolarHBondContact O-CB 3.44Å; E843-D847 PolarHBondContact O-N 3.17Å |
| 844 | A | 86.1 | Confident | 80 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.1 | -38.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A840 L841 D847 L848 V900 A903 | A840-A844 WeakPolarHBondContact O-CB 3.46Å; A840-A844 PolarHBondContact O-N 3.1Å; L841-A844 PolarHBondContact O-N 2.93Å; A844-D847 PolarHBondContact O-N 3.37Å; A844-L848 WeakPolarHBondContact O-CG 3.43Å; A844-L848 PolarHBondContact O-N 3.41Å; A844-V900 HydrophobicContact CB-CG2 4.22Å; A844-A903 HydrophobicContact CB-CB 3.54Å |
| 845 | C | 87.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 170.6 | -170 | 0 | 0 | 0 | 0 | 111.1 | L841 E843 L848 L849 L877 M899 | L841-C845 WeakPolarHBondContact O-CB 3.3Å; L841-C845 PolarHBondContact O-N 3.36Å; E843-C845 PolarHBondContact O-N 2.74Å; C845-L848 PolarHBondContact O-N 3.37Å; C845-L849 WeakPolarHBondContact O-CB 3.39Å; C845-L849 WeakPolarHBondContact O-CD1 3.32Å; C845-L849 VanDerWaalsContact O-CG 3.31Å; C845-L849 WeakPolarHBondContact O-CG 3.33Å; C845-L849 PolarHBondContact O-N 3.3Å; C845-L877 HydrophobicContact CB-CD2 3.59Å; C845-M899 HydrophobicContact CB-CE 3.72Å |
| 846 | T | 79.6 | Confident | 80.7 | Confident | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.8 | -48 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | Y176 D842 E843 L848 L849 S850 P871 | Y176-T846 HydrophobicContact CD2-CG2 3.67Å; Y176-T846 HydrophobicContact CE2-CG2 3.78Å; D842-T846 WeakPolarHBondContact O-CB 3.36Å; D842-T846 PolarHBondContact O-N 2.9Å; D842-T846 PolarHBondContact O-OG1 3.47Å; E843-T846 CarbonylContact O-C 3.53Å; E843-T846 WeakPolarHBondContact O-CA 3.16Å; E843-T846 WeakPolarHBondContact O-CB 3.46Å; E843-T846 PolarHBondContact O-N 3Å; E843-T846 VanDerWaalsContact O-N 3.16Å; T846-L848 PolarHBondContact O-N 2.85Å; T846-L849 PolarHBondContact O-N 2.98Å; T846-S850 VanDerWaalsContact O-CB 3.31Å; T846-S850 WeakPolarHBondContact O-CB 3.19Å; T846-S850 PolarHBondContact O-N 3.09Å; T846-P871 HydrophobicContact CG2-CB 4.49Å; T846-P871 HydrophobicContact CG2-CG 4.31Å |
| 847 | D | 78.9 | Confident | 81.3 | Confident | 10 Ų | 10 | 22.2 Ų | 22.2 | 5% | 0.053 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.6 | -53 | 177.2 | -96.2 | 1.1 | 0 | 0 | 0 | 110.2 | H237 E843 A844 L849 S850 Y851 A903 R907 | H237-D847 IonicContact ND1-OD1 2.69Å; E843-D847 WeakPolarHBondContact O-CB 3.44Å; E843-D847 PolarHBondContact O-N 3.17Å; A844-D847 PolarHBondContact O-N 3.37Å; D847-L849 PolarHBondContact O-N 3.07Å; D847-S850 WeakPolarHBondContact O-CA 3.49Å; D847-S850 WeakPolarHBondContact O-CB 3.16Å; D847-S850 PolarHBondContact O-N 3.48Å; D847-S850 PolarHBondContact O-OG 3.15Å; D847-Y851 VanDerWaalsContact O-CD2 3.25Å; D847-Y851 WeakPolarHBondContact O-CD2 3.28Å; D847-Y851 PolarHBondContact O-N 3.12Å; D847-Y851 VanDerWaalsContact O-N 3.14Å; D847-A903 HydrophobicContact CB-CB 4.2Å; D847-R907 WeakPolarHBondContact OD2-CD 3.41Å; D847-R907 WeakPolarHBondContact OD2-CG 3.48Å; D847-R907 IonicContact OD2-CZ 3.99Å; D847-R907 IonicContact OD2-NE 3.14Å; D847-R907 PolarHBondContact OD2-NE 2.81Å |
| 848 | L | 87.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | -178.1 | -71.4 | 170.7 | 0 | 0 | 0 | 112.7 | A844 C845 T846 S850 Y851 K853 L855 L902 A903 M906 L919 | A844-L848 WeakPolarHBondContact O-CG 3.43Å; A844-L848 PolarHBondContact O-N 3.41Å; C845-L848 PolarHBondContact O-N 3.37Å; T846-L848 PolarHBondContact O-N 2.85Å; L848-S850 PolarHBondContact O-N 3.46Å; L848-Y851 PolarHBondContact O-N 3.39Å; L848-K853 VanDerWaalsContact O-CB 3.29Å; L848-K853 WeakPolarHBondContact O-CB 3.4Å; L848-K853 PolarHBondContact O-N 3.24Å; L848-K853 VanDerWaalsContact O-N 3.17Å; L848-L855 HydrophobicContact CB-CD1 4.14Å; L848-L855 HydrophobicContact CB-CD2 4.04Å; L848-L855 HydrophobicContact CB-CG 4.48Å; L848-L855 HydrophobicContact CD1-CD1 4.18Å; L848-L855 HydrophobicContact CD1-CD2 4.04Å; L848-L902 HydrophobicContact CD1-CB 3.84Å; L848-L902 HydrophobicContact CD2-CB 4.03Å; L848-A903 HydrophobicContact CD1-CB 4.44Å; L848-A903 HydrophobicContact CG-CB 4.11Å; L848-M906 HydrophobicContact CD2-CB 4.05Å; L848-M906 HydrophobicContact CD2-CE 3.71Å; L848-M906 HydrophobicContact CD2-CG 4.44Å; L848-L919 HydrophobicContact CD2-CD1 3.94Å |
| 849 | L | 81.3 | Confident | 82 | Confident | 25 Ų | 25 | 20.1 Ų | 20.1 | 13% | 0.131 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.6 | -33.2 | 173.8 | -70 | 164.3 | 0 | 0 | 0 | 111.4 | C845 T846 D847 Y851 Q852 K853 L855 I868 A870 P871 | C845-L849 WeakPolarHBondContact O-CB 3.39Å; C845-L849 WeakPolarHBondContact O-CD1 3.32Å; C845-L849 VanDerWaalsContact O-CG 3.31Å; C845-L849 WeakPolarHBondContact O-CG 3.33Å; C845-L849 PolarHBondContact O-N 3.3Å; T846-L849 PolarHBondContact O-N 2.98Å; D847-L849 PolarHBondContact O-N 3.07Å; L849-Y851 PolarHBondContact O-N 3.09Å; L849-Q852 WeakPolarHBondContact O-CA 3.3Å; L849-Q852 PolarHBondContact O-N 3.25Å; L849-K853 WeakPolarHBondContact CD2-O 3.46Å; L849-L855 HydrophobicContact CG-CD1 4.49Å; L849-I868 HydrophobicContact CD1-CG2 4.22Å; L849-A870 VanDerWaalsContact CD1-C 3.46Å; L849-P871 HydrophobicContact CB-CG 4.48Å; L849-P871 HydrophobicContact CD1-CB 4.21Å; L849-P871 HydrophobicContact CD1-CG 3.89Å |
| 850 | S | 71.8 | Confident | 82.2 | Confident | 4 Ų | 4 | 19.8 Ų | 19.8 | 3% | 0.028 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 177.4 | 84 | 0 | 0 | 0 | 0 | 111.9 | I241 S244 T846 D847 L848 Q852 | I241-S850 VanDerWaalsContact CD1-CA 3.44Å; S244-S850 WeakPolarHBondContact CB-O 3.46Å; S244-S850 PolarHBondContact OG-O 2.95Å; T846-S850 VanDerWaalsContact O-CB 3.31Å; T846-S850 WeakPolarHBondContact O-CB 3.19Å; T846-S850 PolarHBondContact O-N 3.09Å; D847-S850 WeakPolarHBondContact O-CA 3.49Å; D847-S850 WeakPolarHBondContact O-CB 3.16Å; D847-S850 PolarHBondContact O-N 3.48Å; D847-S850 PolarHBondContact O-OG 3.15Å; L848-S850 PolarHBondContact O-N 3.46Å; S850-Q852 PolarHBondContact O-N 2.84Å |
| 851 | Y | 76.3 | Confident | 82.1 | Confident | 56 Ų | 56 | 22.5 Ų | 22.5 | 22% | 0.22 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 24.3 | 173.5 | -68.2 | -84.4 | 0 | 0 | 0 | 113.1 | D847 L848 L849 K853 M906 | D847-Y851 VanDerWaalsContact O-CD2 3.25Å; D847-Y851 WeakPolarHBondContact O-CD2 3.28Å; D847-Y851 PolarHBondContact O-N 3.12Å; D847-Y851 VanDerWaalsContact O-N 3.14Å; L848-Y851 PolarHBondContact O-N 3.39Å; L849-Y851 PolarHBondContact O-N 3.09Å; Y851-K853 VanDerWaalsContact C-N 3.28Å; Y851-K853 WeakPolarHBondContact O-CD 3.49Å; Y851-K853 VanDerWaalsContact O-CE 3.23Å; Y851-K853 WeakPolarHBondContact O-CE 3.14Å; Y851-K853 PolarHBondContact O-N 3.46Å; Y851-M906 HydrophobicContact CD1-CG 4.21Å; Y851-M906 HydrophobicContact CD1-SD 4.39Å; Y851-M906 HydrophobicContact CD2-CB 4.35Å; Y851-M906 HydrophobicContact CD2-CG 3.18Å; Y851-M906 HydrophobicContact CD2-SD 4.22Å; Y851-M906 HydrophobicContact CE2-CG 3.82Å; Y851-M906 HydrophobicContact CG-CG 3.43Å; Y851-M906 VanDerWaalsContact CG-CG 3.43Å; Y851-M906 HydrophobicContact CG-SD 3.83Å |
| 852 | Q | 76.2 | Confident | 81.3 | Confident | 38 Ų | 38 | 28.2 Ų | 28.2 | 18% | 0.178 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 39 | 176.6 | -66.7 | 168.2 | 7.5 | 0 | 0 | 112.8 | S244 L849 S850 I1123 | S244-Q852 VanDerWaalsContact C-NE2 3.28Å; S244-Q852 PolarHBondContact O-NE2 3.35Å; L849-Q852 WeakPolarHBondContact O-CA 3.3Å; L849-Q852 PolarHBondContact O-N 3.25Å; S850-Q852 PolarHBondContact O-N 2.84Å; Q852-I1123 HydrophobicContact CG-CD1 4.16Å |
| 853 | K | 84.9 | Confident | 81 | Confident | 30 Ų | 30 | 31.1 Ų | 31.1 | 13% | 0.13 | 17% | 0.167 | C | C | . | . | trans | -106 | 109.3 | 174.1 | -46.8 | -52.3 | 179.4 | -179.5 | 0 | 110 | L848 L849 Y851 M906 F913 M916 F917 L919 | L848-K853 VanDerWaalsContact O-CB 3.29Å; L848-K853 WeakPolarHBondContact O-CB 3.4Å; L848-K853 PolarHBondContact O-N 3.24Å; L848-K853 VanDerWaalsContact O-N 3.17Å; L849-K853 WeakPolarHBondContact CD2-O 3.46Å; Y851-K853 VanDerWaalsContact C-N 3.28Å; Y851-K853 WeakPolarHBondContact O-CD 3.49Å; Y851-K853 VanDerWaalsContact O-CE 3.23Å; Y851-K853 WeakPolarHBondContact O-CE 3.14Å; Y851-K853 PolarHBondContact O-N 3.46Å; K853-M906 HydrophobicContact CD-CE 4.26Å; K853-M906 HydrophobicContact CG-CE 3.49Å; K853-M906 VanDerWaalsContact CG-CE 3.49Å; K853-F913 PolarHBondContact NZ-O 3.02Å; K853-M916 WeakPolarHBondContact CD-O 3.43Å; K853-M916 PolarHBondContact NZ-O 2.99Å; K853-F917 WeakPolarHBondContact CA-O 3.25Å; K853-L919 HydrophobicContact CB-CD1 4.11Å; K853-L919 HydrophobicContact CB-CG 4.07Å; K853-L919 HydrophobicContact CG-CD1 4.47Å | ||
| 854 | H | 84.8 | Confident | 81.2 | Confident | 29 Ų | 29 | 33.7 Ų | 33.7 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 146.5 | 169.1 | -69.9 | -87.4 | 0 | 0 | 0 | 109.9 | F917 R918 L919 V1127 | H854-F917 AromaticContact CD2-CE1 3.36Å; H854-F917 WeakPolarHBondContact CD2-CE1 3.45Å; H854-F917 AromaticContact CD2-CZ 3.34Å; H854-F917 WeakPolarHBondContact CD2-CZ 3.13Å; H854-F917 PolarHBondContact N-O 3.43Å; H854-F917 VanDerWaalsContact N-O 3.08Å; H854-F917 AromaticContact NE2-CE1 3.93Å; H854-F917 AromaticContact NE2-CZ 3.57Å; H854-R918 HydrophobicContact CB-CB 4.28Å; H854-R918 HydrophobicContact CB-CG 4.11Å; H854-R918 CarbonylContact O-C 3.29Å; H854-R918 VanDerWaalsContact O-CA 3.23Å; H854-R918 WeakPolarHBondContact O-CA 3.36Å; H854-L919 PolarHBondContact O-N 3.23Å; H854-V1127 WeakPolarHBondContact NE2-CG2 3.38Å |
| 855 | L | 90.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 146 | -177.6 | -55.3 | 178.6 | 0 | 0 | 0 | 111 | L848 L849 I868 M899 L919 I921 | L848-L855 HydrophobicContact CB-CD1 4.14Å; L848-L855 HydrophobicContact CB-CD2 4.04Å; L848-L855 HydrophobicContact CB-CG 4.48Å; L848-L855 HydrophobicContact CD1-CD1 4.18Å; L848-L855 HydrophobicContact CD1-CD2 4.04Å; L849-L855 HydrophobicContact CG-CD1 4.49Å; L855-I868 HydrophobicContact CB-CB 4.21Å; L855-I868 HydrophobicContact CB-CD1 4.35Å; L855-I868 PolarHBondContact N-O 3.43Å; L855-I868 PolarHBondContact O-N 2.79Å; L855-M899 HydrophobicContact CD1-CE 4.17Å; L855-L919 HydrophobicContact CD2-CB 3.85Å; L855-L919 HydrophobicContact CD2-CD1 3.82Å; L855-L919 HydrophobicContact CD2-CG 4.05Å; L855-I921 HydrophobicContact CB-CD1 4.48Å |
| 856 | T | 91.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.2 | 157.7 | 53 | 0 | 0 | 0 | 0 | 111.9 | E865 K866 R918 L919 R920 I921 | T856-E865 WeakPolarHBondContact CB-OE1 3.45Å; T856-E865 HydrophobicContact CG2-CG 3.82Å; T856-E865 WeakPolarHBondContact CG2-OE1 3.49Å; T856-E865 PolarHBondContact OG1-OE1 2.53Å; T856-K866 WeakPolarHBondContact CA-O 3.35Å; T856-K866 VanDerWaalsContact CB-O 3.26Å; T856-K866 WeakPolarHBondContact CB-O 3.44Å; T856-K866 WeakPolarHBondContact CG2-O 3.22Å; T856-R918 VanDerWaalsContact CG2-CZ 3.47Å; T856-L919 PolarHBondContact N-O 2.67Å; T856-R920 VanDerWaalsContact OG1-CA 3.3Å; T856-R920 WeakPolarHBondContact OG1-CA 3.37Å; T856-R920 WeakPolarHBondContact OG1-CG 3.31Å; T856-I921 WeakPolarHBondContact O-CB 3.25Å; T856-I921 WeakPolarHBondContact O-CD1 3.4Å; T856-I921 WeakPolarHBondContact O-CG1 3.46Å; T856-I921 PolarHBondContact O-N 2.84Å |
| 857 | V | 92.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 158.4 | 174.1 | -66.3 | 0 | 0 | 0 | 0 | 109.4 | E865 K866 I868 L880 I881 A884 T895 M899 I921 | V857-E865 CarbonylContact O-C 3.59Å; V857-E865 WeakPolarHBondContact O-CA 3.47Å; V857-K866 HydrophobicContact CG2-CB 4.17Å; V857-K866 PolarHBondContact N-O 2.66Å; V857-K866 VanDerWaalsContact N-O 3.13Å; V857-K866 PolarHBondContact O-N 2.72Å; V857-I868 HydrophobicContact CG1-CD1 4.28Å; V857-I868 HydrophobicContact CG2-CD1 4.37Å; V857-L880 HydrophobicContact CG2-CD2 3.37Å; V857-I881 HydrophobicContact CG1-CG1 4.24Å; V857-I881 HydrophobicContact CG2-CG1 4.23Å; V857-A884 HydrophobicContact CB-CB 4.22Å; V857-A884 HydrophobicContact CG2-CB 3.68Å; V857-T895 HydrophobicContact CB-CG2 3.97Å; V857-T895 HydrophobicContact CG1-CG2 3.51Å; V857-M899 HydrophobicContact CG1-SD 4.22Å; V857-I921 HydrophobicContact CG1-CB 4.37Å; V857-I921 HydrophobicContact CG1-CD1 3.64Å |
| 858 | G | 86.6 | Confident | 82.1 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 78 | 174.8 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A884 G922 | G858-A884 WeakPolarHBondContact CA-O 3.39Å; G858-G922 WeakPolarHBondContact O-CA 3.42Å |
| 859 | L | 81.9 | Confident | 81.4 | Confident | 61 Ų | 61 | 42.5 Ų | 42.5 | 32% | 0.319 | 23% | 0.227 | S | C | . | . | trans | -100.1 | 146.2 | 179.6 | -72.1 | 170.4 | 0 | 0 | 0 | 111.5 | R864 E865 G922 L923 Q926 | L859-R864 VanDerWaalsContact O-CB 3.24Å; L859-R864 WeakPolarHBondContact O-CB 3.25Å; L859-E865 PolarHBondContact O-N 3.16Å; L859-E865 VanDerWaalsContact O-N 3.13Å; L859-G922 WeakPolarHBondContact CD2-O 3.36Å; L859-L923 HydrophobicContact CD2-CD2 4.3Å; L859-Q926 HydrophobicContact CD2-CB 4.2Å | ||
| 860 | P | 74 | Confident | 81 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 13% | 0.13 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -68.3 | 161.1 | 176.9 | 28 | -34.4 | 0 | 0 | 0 | 113.2 | L923 | P860-L923 HydrophobicContact CG-CD1 4.39Å; P860-L923 HydrophobicContact CG-CD2 3.75Å; P860-L923 HydrophobicContact CG-CG 4.22Å |
| 861 | P | 70.5 | Confident | 81.1 | Confident | 84 Ų | 84 | 44.8 Ų | 44.8 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | S | Bend | cis | -82.3 | 175.1 | -5.1 | 34.7 | -36.2 | 0 | 0 | 0 | 113.2 | R864 | P861-R864 WeakPolarHBondContact O-CB 3.4Å; P861-R864 PolarHBondContact O-N 2.94Å; P861-R864 VanDerWaalsContact O-N 3.14Å |
| 862 | E | 68.9 | Low | 81.2 | Confident | 119 Ų | 119 | 44.6 Ų | 44.6 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 142.2 | 162.8 | -62.7 | -176.9 | 153.5 | 0 | 0 | 109.8 | ||
| 863 | P | 74.4 | Confident | 81.1 | Confident | 104 Ų | 104 | 46.3 Ų | 46.3 | 68% | 0.675 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93 | 10 | 13.1 | 38.5 | -38.2 | 0 | 0 | 0 | 115.1 | K866 | P863-K866 WeakPolarHBondContact O-CE 3.18Å; P863-K866 PolarHBondContact O-NZ 3.01Å |
| 864 | R | 79.8 | Confident | 80.9 | Confident | 110 Ų | 110 | 46.5 Ų | 46.5 | 42% | 0.415 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -51.3 | 179 | -57.2 | 175.5 | 75 | -155.7 | 6.1 | 110.3 | L859 P861 E886 | L859-R864 VanDerWaalsContact O-CB 3.24Å; L859-R864 WeakPolarHBondContact O-CB 3.25Å; P861-R864 WeakPolarHBondContact O-CB 3.4Å; P861-R864 PolarHBondContact O-N 2.94Å; P861-R864 VanDerWaalsContact O-N 3.14Å; R864-E886 IonicContact CZ-OE1 2.84Å; R864-E886 IonicContact NE-OE1 2.71Å; R864-E886 PolarHBondContact NE-OE1 2.9Å; R864-E886 IonicContact NH2-OE1 2.6Å; R864-E886 PolarHBondContact NH2-OE1 3.19Å; R864-E886 IonicContact NH2-OE2 2.66Å |
| 865 | E | 87.3 | Confident | 80.7 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -64.7 | 131.9 | 167.4 | -171.3 | 174.7 | -160.4 | 0 | 0 | 110.3 | T856 V857 L859 R920 | T856-E865 WeakPolarHBondContact CB-OE1 3.45Å; T856-E865 HydrophobicContact CG2-CG 3.82Å; T856-E865 WeakPolarHBondContact CG2-OE1 3.49Å; T856-E865 PolarHBondContact OG1-OE1 2.53Å; V857-E865 CarbonylContact O-C 3.59Å; V857-E865 WeakPolarHBondContact O-CA 3.47Å; L859-E865 PolarHBondContact O-N 3.16Å; L859-E865 VanDerWaalsContact O-N 3.13Å; E865-R920 IonicContact OE1-CZ 3.66Å; E865-R920 IonicContact OE1-NE 3Å; E865-R920 PolarHBondContact OE1-NE 3.4Å; E865-R920 IonicContact OE1-NH2 3.95Å; E865-R920 PolarHBondContact OE1-NH2 3.15Å; E865-R920 IonicContact OE2-CZ 3.22Å; E865-R920 IonicContact OE2-NE 2.79Å; E865-R920 IonicContact OE2-NH2 3.87Å; E865-R920 PolarHBondContact OE2-NH2 2.82Å |
| 866 | K | 89.1 | Confident | 80.4 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.1 | 174.9 | -52.7 | -59.4 | -171.3 | -166.3 | 0 | 110.1 | T856 V857 P863 L880 A884 | T856-K866 WeakPolarHBondContact CA-O 3.35Å; T856-K866 VanDerWaalsContact CB-O 3.26Å; T856-K866 WeakPolarHBondContact CB-O 3.44Å; T856-K866 WeakPolarHBondContact CG2-O 3.22Å; V857-K866 HydrophobicContact CG2-CB 4.17Å; V857-K866 PolarHBondContact N-O 2.66Å; V857-K866 VanDerWaalsContact N-O 3.13Å; V857-K866 PolarHBondContact O-N 2.72Å; P863-K866 WeakPolarHBondContact O-CE 3.18Å; P863-K866 PolarHBondContact O-NZ 3.01Å; K866-L880 HydrophobicContact CB-CD2 3.63Å; K866-L880 HydrophobicContact CB-CG 4.22Å; K866-L880 HydrophobicContact CG-CD2 4.17Å; K866-L880 HydrophobicContact CG-CG 4.5Å; K866-A884 HydrophobicContact CB-CB 4.34Å; K866-A884 HydrophobicContact CG-CB 3.6Å |
| 867 | T | 87.3 | Confident | 80.3 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 31% | 0.307 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 130.3 | 174.7 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | R918 | T867-R918 PolarHBondContact OG1-NH2 3.34Å |
| 868 | I | 87.8 | Confident | 80.2 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 111.9 | 166.8 | -54.4 | 161.8 | 0 | 0 | 0 | 107.1 | L849 L855 V857 A870 L872 L877 L880 | L849-I868 HydrophobicContact CD1-CG2 4.22Å; L855-I868 HydrophobicContact CB-CB 4.21Å; L855-I868 HydrophobicContact CB-CD1 4.35Å; L855-I868 PolarHBondContact N-O 3.43Å; L855-I868 PolarHBondContact O-N 2.79Å; V857-I868 HydrophobicContact CG1-CD1 4.28Å; V857-I868 HydrophobicContact CG2-CD1 4.37Å; I868-A870 WeakPolarHBondContact CG2-O 3.32Å; I868-L872 HydrophobicContact CG2-CD1 4.21Å; I868-L872 HydrophobicContact CG2-CG 4.37Å; I868-L877 HydrophobicContact CD1-CD1 3.67Å; I868-L880 HydrophobicContact CD1-CD2 4.16Å; I868-L880 HydrophobicContact CG1-CD1 4.18Å; I868-L880 HydrophobicContact CG1-CD2 3.87Å |
| 869 | S | 72.8 | Confident | 80.3 | Confident | 89 Ų | 89 | 61.2 Ų | 61.2 | 62% | 0.622 | 34% | 0.338 | S | S | * | . | trans | -105.2 | -18.3 | -173.1 | 50.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 870 | A | 72.4 | Confident | 80.7 | Confident | 47 Ų | 47 | 60 Ų | 60 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -144.7 | 159.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109 | L849 I868 | L849-A870 VanDerWaalsContact CD1-C 3.46Å; I868-A870 WeakPolarHBondContact CG2-O 3.32Å |
| 871 | P | 74.3 | Confident | 81.5 | Confident | 30 Ų | 30 | 59 Ų | 59 | 20% | 0.195 | 33% | 0.326 | C | S | . | . | trans | -64.5 | 138.9 | 179.8 | -19.7 | 32.9 | 0 | 0 | 0 | 110.9 | K177 T846 L849 | K177-P871 HydrophobicContact CB-CB 3.82Å; K177-P871 HydrophobicContact CB-CG 3.73Å; T846-P871 HydrophobicContact CG2-CB 4.49Å; T846-P871 HydrophobicContact CG2-CG 4.31Å; L849-P871 HydrophobicContact CB-CG 4.48Å; L849-P871 HydrophobicContact CD1-CB 4.21Å; L849-P871 HydrophobicContact CD1-CG 3.89Å | ||
| 872 | L | 78.4 | Confident | 82.4 | Confident | 51 Ų | 51 | 56.7 Ų | 56.7 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | trans | -115.6 | 142 | -177.2 | -64.6 | 177.6 | 0 | 0 | 0 | 110.1 | D842 I868 A876 L877 L880 | D842-L872 WeakPolarHBondContact CB-O 3.41Å; I868-L872 HydrophobicContact CG2-CD1 4.21Å; I868-L872 HydrophobicContact CG2-CG 4.37Å; L872-A876 HydrophobicContact CB-CB 4.48Å; L872-L877 HydrophobicContact CB-CB 4.08Å; L872-L877 HydrophobicContact CD1-CD1 4.48Å; L872-L880 HydrophobicContact CD1-CD1 3.73Å | ||
| 873 | P | 74.4 | Confident | 83.4 | Confident | 75 Ų | 75 | 55.9 Ų | 55.9 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | trans | -56.4 | 146.4 | 168.3 | -22.4 | 33.1 | 0 | 0 | 0 | 111.3 | E875 A876 L877 | P873-E875 VanDerWaalsContact C-N 3.29Å; P873-E875 PolarHBondContact O-N 3.03Å; P873-A876 PolarHBondContact O-N 3.22Å; P873-L877 PolarHBondContact O-N 3.13Å | ||
| 874 | Y | 80.3 | Confident | 84.1 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -38.1 | -53.2 | -177.2 | -173.7 | -80.6 | 0 | 0 | 0 | 114.2 | K837 V838 L841 A876 L877 T878 | K837-Y874 WeakPolarHBondContact CA-OH 3.5Å; K837-Y874 HydrophobicContact CB-CE2 4.38Å; K837-Y874 HydrophobicContact CD-CD1 4.46Å; K837-Y874 HydrophobicContact CD-CE1 4.18Å; K837-Y874 HydrophobicContact CG-CE1 3.99Å; V838-Y874 PolarHBondContact N-OH 2.95Å; V838-Y874 VanDerWaalsContact N-OH 3.1Å; V838-Y874 WeakPolarHBondContact O-CE2 3.31Å; L841-Y874 HydrophobicContact CB-CD2 4.18Å; L841-Y874 HydrophobicContact CB-CE2 3.85Å; L841-Y874 HydrophobicContact CD2-CE2 3.94Å; Y874-A876 PolarHBondContact O-N 3.25Å; Y874-L877 WeakPolarHBondContact O-CB 3.41Å; Y874-L877 PolarHBondContact O-N 3.26Å; Y874-T878 WeakPolarHBondContact CE1-OG1 3.28Å; Y874-T878 PolarHBondContact O-N 3.35Å; Y874-T878 PolarHBondContact O-OG1 3.03Å |
| 875 | E | 81.4 | Confident | 84.4 | Confident | 146 Ų | 146 | 46.3 Ų | 46.3 | 68% | 0.682 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -67.4 | -37.1 | -174.1 | -59.1 | -176.4 | 171.8 | 0 | 0 | 113.3 | P873 K879 | P873-E875 VanDerWaalsContact C-N 3.29Å; P873-E875 PolarHBondContact O-N 3.03Å; E875-K879 WeakPolarHBondContact O-CB 3.27Å; E875-K879 PolarHBondContact O-N 3.3Å; E875-K879 VanDerWaalsContact O-N 3.16Å |
| 876 | A | 84.6 | Confident | 84.2 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.7 | -35.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L872 P873 Y874 L880 | L872-A876 HydrophobicContact CB-CB 4.48Å; P873-A876 PolarHBondContact O-N 3.22Å; Y874-A876 PolarHBondContact O-N 3.25Å; A876-L880 WeakPolarHBondContact O-CB 3.31Å; A876-L880 PolarHBondContact O-N 2.99Å; A876-L880 VanDerWaalsContact O-N 3.1Å |
| 877 | L | 89 | Confident | 83.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.2 | -50.8 | 177.3 | -177.9 | 56 | 0 | 0 | 0 | 111.9 | L841 D842 C845 I868 L872 P873 Y874 K879 L880 I881 M899 | L841-L877 HydrophobicContact CD2-CD2 4.36Å; L841-L877 HydrophobicContact CG-CD2 3.91Å; D842-L877 HydrophobicContact CB-CD2 4.35Å; C845-L877 HydrophobicContact CB-CD2 3.59Å; I868-L877 HydrophobicContact CD1-CD1 3.67Å; L872-L877 HydrophobicContact CB-CB 4.08Å; L872-L877 HydrophobicContact CD1-CD1 4.48Å; P873-L877 PolarHBondContact O-N 3.13Å; Y874-L877 WeakPolarHBondContact O-CB 3.41Å; Y874-L877 PolarHBondContact O-N 3.26Å; L877-K879 VanDerWaalsContact C-N 3.35Å; L877-K879 PolarHBondContact O-N 2.98Å; L877-L880 PolarHBondContact O-N 2.96Å; L877-I881 HydrophobicContact CD1-CD1 4.14Å; L877-I881 HydrophobicContact CD1-CG1 4.49Å; L877-I881 HydrophobicContact CG-CD1 4.13Å; L877-I881 WeakPolarHBondContact O-CG1 3.48Å; L877-I881 PolarHBondContact O-N 3.42Å; L877-M899 HydrophobicContact CD1-CE 4.23Å; L877-M899 HydrophobicContact CD2-CE 4.11Å |
| 878 | T | 88.3 | Confident | 83.2 | Confident | 25 Ų | 25 | 52.7 Ų | 52.7 | 15% | 0.153 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 176.5 | -56 | 0 | 0 | 0 | 0 | 111.1 | Y874 L880 I881 D882 | Y874-T878 WeakPolarHBondContact CE1-OG1 3.28Å; Y874-T878 PolarHBondContact O-N 3.35Å; Y874-T878 PolarHBondContact O-OG1 3.03Å; T878-L880 VanDerWaalsContact C-N 3.32Å; T878-L880 PolarHBondContact O-N 3.22Å; T878-I881 PolarHBondContact O-N 3.43Å; T878-I881 VanDerWaalsContact O-N 3.11Å; T878-D882 PolarHBondContact O-N 3.38Å |
| 879 | K | 89.1 | Confident | 83 | Confident | 126 Ų | 126 | 54.3 Ų | 54.3 | 55% | 0.548 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 177.3 | -175.8 | 175.3 | -177.8 | -74.9 | 0 | 112.7 | E875 L877 I881 D882 E883 | E875-K879 WeakPolarHBondContact O-CB 3.27Å; E875-K879 PolarHBondContact O-N 3.3Å; E875-K879 VanDerWaalsContact O-N 3.16Å; L877-K879 VanDerWaalsContact C-N 3.35Å; L877-K879 PolarHBondContact O-N 2.98Å; K879-I881 VanDerWaalsContact C-N 3.34Å; K879-D882 PolarHBondContact O-N 3.25Å; K879-E883 IonicContact NZ-OE1 2.7Å; K879-E883 PolarHBondContact NZ-OE1 2.66Å; K879-E883 WeakPolarHBondContact O-CB 3.42Å; K879-E883 WeakPolarHBondContact O-CG 3.1Å; K879-E883 PolarHBondContact O-N 3.48Å |
| 880 | L | 91.1 | Very high | 83.5 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 18% | 0.183 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -37.5 | 176.6 | -173.9 | 159.2 | 0 | 0 | 0 | 111.5 | V857 K866 I868 L872 A876 L877 T878 A884 | V857-L880 HydrophobicContact CG2-CD2 3.37Å; K866-L880 HydrophobicContact CB-CD2 3.63Å; K866-L880 HydrophobicContact CB-CG 4.22Å; K866-L880 HydrophobicContact CG-CD2 4.17Å; K866-L880 HydrophobicContact CG-CG 4.5Å; I868-L880 HydrophobicContact CD1-CD2 4.16Å; I868-L880 HydrophobicContact CG1-CD1 4.18Å; I868-L880 HydrophobicContact CG1-CD2 3.87Å; L872-L880 HydrophobicContact CD1-CD1 3.73Å; A876-L880 WeakPolarHBondContact O-CB 3.31Å; A876-L880 PolarHBondContact O-N 2.99Å; A876-L880 VanDerWaalsContact O-N 3.1Å; L877-L880 PolarHBondContact O-N 2.96Å; T878-L880 VanDerWaalsContact C-N 3.32Å; T878-L880 PolarHBondContact O-N 3.22Å; L880-A884 VanDerWaalsContact O-CB 3.3Å; L880-A884 WeakPolarHBondContact O-CB 3.45Å; L880-A884 PolarHBondContact O-N 3.12Å |
| 881 | I | 91.4 | Very high | 84 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.8 | -43 | 175.6 | -64.6 | 167.2 | 0 | 0 | 0 | 111.3 | V857 L877 T878 K879 E883 A884 S885 T895 Q896 M899 | V857-I881 HydrophobicContact CG1-CG1 4.24Å; V857-I881 HydrophobicContact CG2-CG1 4.23Å; L877-I881 HydrophobicContact CD1-CD1 4.14Å; L877-I881 HydrophobicContact CD1-CG1 4.49Å; L877-I881 HydrophobicContact CG-CD1 4.13Å; L877-I881 WeakPolarHBondContact O-CG1 3.48Å; L877-I881 PolarHBondContact O-N 3.42Å; T878-I881 PolarHBondContact O-N 3.43Å; T878-I881 VanDerWaalsContact O-N 3.11Å; K879-I881 VanDerWaalsContact C-N 3.34Å; I881-E883 PolarHBondContact O-N 3Å; I881-A884 PolarHBondContact O-N 2.96Å; I881-S885 WeakPolarHBondContact O-CB 3.37Å; I881-S885 PolarHBondContact O-N 3.1Å; I881-S885 PolarHBondContact O-OG 3.11Å; I881-T895 HydrophobicContact CG1-CG2 4.4Å; I881-T895 HydrophobicContact CG2-CG2 3.75Å; I881-Q896 HydrophobicContact CD1-CG 3.7Å; I881-Q896 HydrophobicContact CG2-CG 4.29Å; I881-M899 HydrophobicContact CD1-SD 3.82Å |
| 882 | D | 88.7 | Confident | 84.7 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.4 | -69.1 | -16.5 | 0 | 0 | 0 | 111.3 | T878 K879 A884 S885 E886 G887 S892 | T878-D882 PolarHBondContact O-N 3.38Å; K879-D882 PolarHBondContact O-N 3.25Å; D882-A884 VanDerWaalsContact C-N 3.32Å; D882-A884 PolarHBondContact O-N 3.28Å; D882-S885 PolarHBondContact O-N 3.17Å; D882-E886 PolarHBondContact O-N 3.04Å; D882-G887 PolarHBondContact O-N 3.2Å; D882-S892 WeakPolarHBondContact OD1-CB 3.34Å; D882-S892 PolarHBondContact OD1-OG 3.42Å |
| 883 | E | 89.6 | Confident | 85.3 | Confident | 101 Ų | 101 | 49.6 Ų | 49.6 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.3 | -32.1 | 174.5 | -77.1 | 179.5 | -157.2 | 0 | 0 | 113.4 | K879 I881 | K879-E883 IonicContact NZ-OE1 2.7Å; K879-E883 PolarHBondContact NZ-OE1 2.66Å; K879-E883 WeakPolarHBondContact O-CB 3.42Å; K879-E883 WeakPolarHBondContact O-CG 3.1Å; K879-E883 PolarHBondContact O-N 3.48Å; I881-E883 PolarHBondContact O-N 3Å |
| 884 | A | 88.8 | Confident | 86 | Confident | 5 Ų | 5 | 46 Ų | 46 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -79.6 | -18.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V857 G858 K866 L880 I881 D882 | V857-A884 HydrophobicContact CB-CB 4.22Å; V857-A884 HydrophobicContact CG2-CB 3.68Å; G858-A884 WeakPolarHBondContact CA-O 3.39Å; K866-A884 HydrophobicContact CB-CB 4.34Å; K866-A884 HydrophobicContact CG-CB 3.6Å; L880-A884 VanDerWaalsContact O-CB 3.3Å; L880-A884 WeakPolarHBondContact O-CB 3.45Å; L880-A884 PolarHBondContact O-N 3.12Å; I881-A884 PolarHBondContact O-N 2.96Å; D882-A884 VanDerWaalsContact C-N 3.32Å; D882-A884 PolarHBondContact O-N 3.28Å |
| 885 | S | 86.3 | Confident | 86.6 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 6.6 | -179.3 | -52 | 0 | 0 | 0 | 0 | 112.7 | I881 D882 G887 D888 S892 | I881-S885 WeakPolarHBondContact O-CB 3.37Å; I881-S885 PolarHBondContact O-N 3.1Å; I881-S885 PolarHBondContact O-OG 3.11Å; D882-S885 PolarHBondContact O-N 3.17Å; S885-G887 PolarHBondContact O-N 3.17Å; S885-G887 VanDerWaalsContact O-N 3.08Å; S885-D888 WeakPolarHBondContact O-CB 3.35Å; S885-D888 PolarHBondContact O-N 3.23Å; S885-S892 WeakPolarHBondContact OG-CA 3.46Å; S885-S892 PolarHBondContact OG-N 2.83Å |
| 886 | E | 84 | Confident | 87.1 | Confident | 131 Ų | 131 | 38.1 Ų | 38.1 | 61% | 0.612 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 22.3 | -178.3 | -69.6 | 168.1 | -136.9 | 0 | 0 | 114.2 | R864 D882 | R864-E886 IonicContact CZ-OE1 2.84Å; R864-E886 IonicContact NE-OE1 2.71Å; R864-E886 PolarHBondContact NE-OE1 2.9Å; R864-E886 IonicContact NH2-OE1 2.6Å; R864-E886 PolarHBondContact NH2-OE1 3.19Å; R864-E886 IonicContact NH2-OE2 2.66Å; D882-E886 PolarHBondContact O-N 3.04Å |
| 887 | G | 73.1 | Confident | 87.4 | Confident | 53 Ų | 53 | 35.9 Ų | 35.9 | 55% | 0.546 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 2.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D882 S885 M889 | D882-G887 PolarHBondContact O-N 3.2Å; S885-G887 PolarHBondContact O-N 3.17Å; S885-G887 VanDerWaalsContact O-N 3.08Å; G887-M889 PolarHBondContact O-N 2.58Å; G887-M889 VanDerWaalsContact O-N 3.15Å |
| 888 | D | 81.6 | Confident | 87.6 | Confident | 65 Ų | 65 | 35.9 Ų | 35.9 | 35% | 0.348 | 19% | 0.192 | S | C | . | . | trans | -69.4 | 107.9 | 169.8 | -173.4 | -41.6 | 0 | 0 | 0 | 109.9 | S885 N890 I891 S892 | S885-D888 WeakPolarHBondContact O-CB 3.35Å; S885-D888 PolarHBondContact O-N 3.23Å; D888-N890 VanDerWaalsContact C-N 3.29Å; D888-N890 PolarHBondContact O-N 2.84Å; D888-N890 WeakPolarHBondContact OD1-CA 3.33Å; D888-N890 WeakPolarHBondContact OD1-CB 3.46Å; D888-N890 PolarHBondContact OD1-N 3.31Å; D888-I891 HydrophobicContact CB-CB 4.05Å; D888-I891 HydrophobicContact CB-CD1 4.05Å; D888-I891 HydrophobicContact CB-CG1 4.17Å; D888-I891 PolarHBondContact O-N 3.22Å; D888-I891 PolarHBondContact OD1-N 3.05Å; D888-I891 WeakPolarHBondContact OD2-CD1 3.38Å; D888-S892 WeakPolarHBondContact O-CB 3.29Å; D888-S892 PolarHBondContact O-N 3.22Å | ||
| 889 | M | 82.9 | Confident | 87.9 | Confident | 36 Ų | 36 | 34.7 Ų | 34.7 | 18% | 0.177 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.2 | -28.2 | -176.6 | -148.7 | 74.6 | 69.1 | 0 | 0 | 112.8 | G832 G887 T893 | G832-M889 VanDerWaalsContact CA-CG 3.49Å; G887-M889 PolarHBondContact O-N 2.58Å; G887-M889 VanDerWaalsContact O-N 3.15Å; M889-T893 VanDerWaalsContact O-CB 3.31Å; M889-T893 WeakPolarHBondContact O-CB 3.32Å; M889-T893 PolarHBondContact O-N 3.44Å; M889-T893 PolarHBondContact O-OG1 3.29Å |
| 890 | N | 82.9 | Confident | 88 | Confident | 43 Ų | 43 | 29.3 Ų | 29.3 | 23% | 0.23 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -75.6 | -43.1 | 178.6 | -64.4 | -35.8 | 0 | 0 | 0 | 110.2 | Y829 D888 T893 L894 M948 | Y829-N890 WeakPolarHBondContact CA-OD1 3.43Å; Y829-N890 WeakPolarHBondContact CB-OD1 3.43Å; Y829-N890 PolarHBondContact N-OD1 3.24Å; D888-N890 VanDerWaalsContact C-N 3.29Å; D888-N890 PolarHBondContact O-N 2.84Å; D888-N890 WeakPolarHBondContact OD1-CA 3.33Å; D888-N890 WeakPolarHBondContact OD1-CB 3.46Å; D888-N890 PolarHBondContact OD1-N 3.31Å; N890-T893 PolarHBondContact O-N 2.87Å; N890-L894 VanDerWaalsContact O-CB 3.23Å; N890-L894 WeakPolarHBondContact O-CB 3.42Å; N890-L894 PolarHBondContact O-N 3.02Å; N890-M948 HydrophobicContact CB-CE 3.75Å; N890-M948 HydrophobicContact CB-SD 4.08Å |
| 891 | I | 84.9 | Confident | 88.1 | Confident | 68 Ų | 68 | 27.6 Ų | 27.6 | 35% | 0.349 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -67.1 | -38.9 | 174.9 | -64.4 | 176.1 | 0 | 0 | 0 | 111.1 | D888 T895 M948 | D888-I891 HydrophobicContact CB-CB 4.05Å; D888-I891 HydrophobicContact CB-CD1 4.05Å; D888-I891 HydrophobicContact CB-CG1 4.17Å; D888-I891 PolarHBondContact O-N 3.22Å; D888-I891 PolarHBondContact OD1-N 3.05Å; D888-I891 WeakPolarHBondContact OD2-CD1 3.38Å; I891-T895 VanDerWaalsContact O-CB 3.25Å; I891-T895 WeakPolarHBondContact O-CB 3.45Å; I891-T895 PolarHBondContact O-N 3.13Å; I891-T895 PolarHBondContact O-OG1 3.24Å; I891-M948 HydrophobicContact CG1-CE 4.02Å |
| 892 | S | 88.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -50 | 173.5 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | D882 S885 D888 L894 T895 Q896 | D882-S892 WeakPolarHBondContact OD1-CB 3.34Å; D882-S892 PolarHBondContact OD1-OG 3.42Å; S885-S892 WeakPolarHBondContact OG-CA 3.46Å; S885-S892 PolarHBondContact OG-N 2.83Å; D888-S892 WeakPolarHBondContact O-CB 3.29Å; D888-S892 PolarHBondContact O-N 3.22Å; S892-L894 PolarHBondContact O-N 2.56Å; S892-T895 WeakPolarHBondContact O-CB 3.42Å; S892-T895 PolarHBondContact O-N 3.43Å; S892-Q896 WeakPolarHBondContact O-CG 3.49Å; S892-Q896 PolarHBondContact O-N 2.96Å; S892-Q896 VanDerWaalsContact O-N 3.11Å; S892-Q896 PolarHBondContact O-NE2 3.3Å; S892-Q896 PolarHBondContact OG-NE2 3.26Å |
| 893 | T | 89.1 | Confident | 88.1 | Confident | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 180 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | F530 Y531 R828 M889 N890 T895 Q896 E897 | F530-T893 HydrophobicContact CZ-CG2 4.44Å; Y531-T893 HydrophobicContact CE1-CG2 4.21Å; Y531-T893 WeakPolarHBondContact OH-CG2 3.31Å; R828-T893 HydrophobicContact CB-CG2 4.46Å; M889-T893 VanDerWaalsContact O-CB 3.31Å; M889-T893 WeakPolarHBondContact O-CB 3.32Å; M889-T893 PolarHBondContact O-N 3.44Å; M889-T893 PolarHBondContact O-OG1 3.29Å; N890-T893 PolarHBondContact O-N 2.87Å; T893-T895 PolarHBondContact O-N 3.49Å; T893-Q896 PolarHBondContact O-N 2.84Å; T893-E897 PolarHBondContact O-N 3.34Å |
| 894 | L | 90.2 | Very high | 88 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -38.7 | 175.4 | 179.3 | 59.2 | 0 | 0 | 0 | 112.3 | N890 S892 Q896 E897 I898 I925 L947 M948 M955 | N890-L894 VanDerWaalsContact O-CB 3.23Å; N890-L894 WeakPolarHBondContact O-CB 3.42Å; N890-L894 PolarHBondContact O-N 3.02Å; S892-L894 PolarHBondContact O-N 2.56Å; L894-Q896 VanDerWaalsContact C-N 3.28Å; L894-Q896 PolarHBondContact O-N 3.1Å; L894-E897 WeakPolarHBondContact O-CB 3.35Å; L894-E897 PolarHBondContact O-N 2.91Å; L894-I898 HydrophobicContact CD1-CD1 4.34Å; L894-I898 HydrophobicContact CD1-CG1 4.04Å; L894-I898 HydrophobicContact CG-CG1 4.33Å; L894-I898 VanDerWaalsContact O-CG1 3.31Å; L894-I898 WeakPolarHBondContact O-CG1 3.4Å; L894-I898 PolarHBondContact O-N 3.1Å; L894-I925 HydrophobicContact CD2-CD1 4.38Å; L894-I925 HydrophobicContact CD2-CG1 4.46Å; L894-I925 HydrophobicContact CD2-CG2 3.95Å; L894-I925 HydrophobicContact CG-CD1 4.16Å; L894-I925 HydrophobicContact CG-CG1 4.49Å; L894-L947 HydrophobicContact CD2-CD2 4.3Å; L894-M948 HydrophobicContact CB-SD 4.44Å; L894-M948 HydrophobicContact CD2-CE 3.94Å; L894-M948 HydrophobicContact CD2-SD 3.96Å; L894-M955 HydrophobicContact CD1-CE 3.43Å; L894-M955 VanDerWaalsContact CD1-CE 3.43Å; L894-M955 HydrophobicContact CD1-CG 4.38Å; L894-M955 HydrophobicContact CD1-SD 3.9Å |
| 895 | T | 92.2 | Very high | 88 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.5 | -41 | 175.9 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | V857 I881 I891 S892 T893 I898 M899 I921 | V857-T895 HydrophobicContact CB-CG2 3.97Å; V857-T895 HydrophobicContact CG1-CG2 3.51Å; I881-T895 HydrophobicContact CG1-CG2 4.4Å; I881-T895 HydrophobicContact CG2-CG2 3.75Å; I891-T895 VanDerWaalsContact O-CB 3.25Å; I891-T895 WeakPolarHBondContact O-CB 3.45Å; I891-T895 PolarHBondContact O-N 3.13Å; I891-T895 PolarHBondContact O-OG1 3.24Å; S892-T895 WeakPolarHBondContact O-CB 3.42Å; S892-T895 PolarHBondContact O-N 3.43Å; T893-T895 PolarHBondContact O-N 3.49Å; T895-I898 PolarHBondContact O-N 2.94Å; T895-M899 WeakPolarHBondContact O-CG 3.34Å; T895-M899 PolarHBondContact O-N 2.79Å; T895-I921 HydrophobicContact CG2-CG2 3.94Å |
| 896 | Q | 92.3 | Very high | 88 | Confident | 10 Ų | 10 | 21.1 Ų | 21.1 | 5% | 0.047 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.5 | -41.9 | 176.6 | -64.2 | 170.8 | 66.5 | 0 | 0 | 111.9 | V838 L841 I881 S892 T893 L894 M899 V900 | V838-Q896 HydrophobicContact CB-CB 4.39Å; V838-Q896 HydrophobicContact CG1-CB 4.39Å; V838-Q896 HydrophobicContact CG2-CB 3.79Å; V838-Q896 HydrophobicContact CG2-CG 4.49Å; L841-Q896 HydrophobicContact CD1-CB 3.89Å; L841-Q896 HydrophobicContact CD1-CG 4.1Å; L841-Q896 HydrophobicContact CD2-CB 4.22Å; L841-Q896 HydrophobicContact CD2-CG 3.75Å; I881-Q896 HydrophobicContact CD1-CG 3.7Å; I881-Q896 HydrophobicContact CG2-CG 4.29Å; S892-Q896 WeakPolarHBondContact O-CG 3.49Å; S892-Q896 PolarHBondContact O-N 2.96Å; S892-Q896 VanDerWaalsContact O-N 3.11Å; S892-Q896 PolarHBondContact O-NE2 3.3Å; S892-Q896 PolarHBondContact OG-NE2 3.26Å; T893-Q896 PolarHBondContact O-N 2.84Å; L894-Q896 VanDerWaalsContact C-N 3.28Å; L894-Q896 PolarHBondContact O-N 3.1Å; Q896-M899 PolarHBondContact O-N 2.64Å; Q896-V900 PolarHBondContact O-N 2.99Å |
| 897 | E | 91.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55.8 | -52.6 | 170.3 | -97 | -173.6 | -116 | 0 | 0 | 112.5 | F530 Y531 R828 T893 L894 M899 V900 Y901 | F530-E897 HydrophobicContact CE1-CG 4.32Å; F530-E897 HydrophobicContact CZ-CG 4.42Å; Y531-E897 WeakPolarHBondContact CE2-OE1 3.43Å; Y531-E897 PolarHBondContact OH-OE1 3.07Å; R828-E897 IonicContact CZ-OE1 2.82Å; R828-E897 VanDerWaalsContact CZ-OE1 3.3Å; R828-E897 IonicContact CZ-OE2 3.94Å; R828-E897 IonicContact NE-OE1 3.57Å; R828-E897 PolarHBondContact NE-OE1 3Å; R828-E897 IonicContact NE-OE2 2.64Å; R828-E897 IonicContact NH2-OE1 2.73Å; R828-E897 PolarHBondContact NH2-OE1 3.2Å; R828-E897 VanDerWaalsContact NH2-OE1 3.1Å; R828-E897 IonicContact NH2-OE2 2.77Å; R828-E897 PolarHBondContact NH2-OE2 2.64Å; T893-E897 PolarHBondContact O-N 3.34Å; L894-E897 WeakPolarHBondContact O-CB 3.35Å; L894-E897 PolarHBondContact O-N 2.91Å; E897-M899 VanDerWaalsContact C-N 3.27Å; E897-M899 PolarHBondContact O-N 2.99Å; E897-V900 PolarHBondContact O-N 3.22Å; E897-V900 VanDerWaalsContact O-N 3.12Å; E897-Y901 HydrophobicContact CB-CE2 3.87Å; E897-Y901 VanDerWaalsContact CD-OH 3.28Å; E897-Y901 HydrophobicContact CG-CE2 4.23Å; E897-Y901 WeakPolarHBondContact CG-OH 3.38Å; E897-Y901 WeakPolarHBondContact O-CD2 3.43Å; E897-Y901 VanDerWaalsContact O-CG 3.3Å; E897-Y901 PolarHBondContact O-N 3.41Å; E897-Y901 WeakPolarHBondContact OE2-CE2 3.24Å; E897-Y901 PolarHBondContact OE2-OH 2.95Å |
| 898 | I | 93.4 | Very high | 88 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.5 | -36.5 | -177.6 | -64.5 | -62.8 | 0 | 0 | 0 | 110.6 | L894 T895 Y901 L902 I921 I924 I925 M928 M955 L959 | L894-I898 HydrophobicContact CD1-CD1 4.34Å; L894-I898 HydrophobicContact CD1-CG1 4.04Å; L894-I898 HydrophobicContact CG-CG1 4.33Å; L894-I898 VanDerWaalsContact O-CG1 3.31Å; L894-I898 WeakPolarHBondContact O-CG1 3.4Å; L894-I898 PolarHBondContact O-N 3.1Å; T895-I898 PolarHBondContact O-N 2.94Å; I898-Y901 HydrophobicContact CD1-CD2 4.14Å; I898-Y901 PolarHBondContact O-N 3.47Å; I898-L902 HydrophobicContact CG2-CD1 3.79Å; I898-L902 HydrophobicContact CG2-CG 4.11Å; I898-L902 WeakPolarHBondContact O-CB 3.23Å; I898-L902 WeakPolarHBondContact O-CD1 3.46Å; I898-L902 WeakPolarHBondContact O-CG 3.49Å; I898-L902 PolarHBondContact O-N 2.87Å; I898-I921 HydrophobicContact CB-CG2 4.19Å; I898-I921 HydrophobicContact CG2-CG2 3.87Å; I898-I924 HydrophobicContact CG2-CG2 4.42Å; I898-I925 HydrophobicContact CG1-CD1 4.28Å; I898-I925 HydrophobicContact CG1-CG1 4.02Å; I898-M928 HydrophobicContact CD1-CE 3.91Å; I898-M928 HydrophobicContact CD1-SD 4.01Å; I898-M955 HydrophobicContact CD1-CG 4Å; I898-M955 HydrophobicContact CD1-SD 4.12Å; I898-L959 HydrophobicContact CD1-CD2 4.45Å; I898-L959 HydrophobicContact CG2-CD2 4.39Å |
| 899 | M | 94 | Very high | 88 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 172.5 | -77.7 | -178.6 | 59.7 | 0 | 0 | 112.7 | L841 C845 L855 V857 L877 I881 T895 Q896 E897 L902 A903 I921 | L841-M899 HydrophobicContact CD1-CB 4.13Å; L841-M899 HydrophobicContact CD1-CE 4.22Å; L841-M899 HydrophobicContact CD1-SD 4.36Å; C845-M899 HydrophobicContact CB-CE 3.72Å; L855-M899 HydrophobicContact CD1-CE 4.17Å; V857-M899 HydrophobicContact CG1-SD 4.22Å; L877-M899 HydrophobicContact CD1-CE 4.23Å; L877-M899 HydrophobicContact CD2-CE 4.11Å; I881-M899 HydrophobicContact CD1-SD 3.82Å; T895-M899 WeakPolarHBondContact O-CG 3.34Å; T895-M899 PolarHBondContact O-N 2.79Å; Q896-M899 PolarHBondContact O-N 2.64Å; E897-M899 VanDerWaalsContact C-N 3.27Å; E897-M899 PolarHBondContact O-N 2.99Å; M899-L902 PolarHBondContact O-N 3.44Å; M899-A903 PolarHBondContact O-N 3.42Å; M899-I921 HydrophobicContact CG-CD1 3.46Å; M899-I921 VanDerWaalsContact CG-CD1 3.46Å; M899-I921 HydrophobicContact CG-CG1 4.48Å; M899-I921 HydrophobicContact SD-CD1 3.98Å |
| 900 | V | 90.8 | Very high | 88 | Confident | 12 Ų | 12 | 21 Ų | 21 | 7% | 0.073 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 176.8 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | V838 A844 Q896 E897 L902 A903 M904 | V838-V900 HydrophobicContact CG1-CG2 3.81Å; A844-V900 HydrophobicContact CB-CG2 4.22Å; Q896-V900 PolarHBondContact O-N 2.99Å; E897-V900 PolarHBondContact O-N 3.22Å; E897-V900 VanDerWaalsContact O-N 3.12Å; V900-L902 PolarHBondContact O-N 3.26Å; V900-A903 PolarHBondContact O-N 3.21Å; V900-M904 HydrophobicContact CG1-CG 4.49Å; V900-M904 HydrophobicContact CG1-SD 4.42Å; V900-M904 WeakPolarHBondContact O-CG 3.28Å; V900-M904 PolarHBondContact O-N 2.74Å |
| 901 | Y | 92.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 178.3 | -55.8 | -26.5 | 0 | 0 | 0 | 112.8 | L532 M538 E897 I898 A903 M904 Y905 P952 M955 K956 | L532-Y901 HydrophobicContact CD2-CE1 4.04Å; L532-Y901 VanDerWaalsContact CD2-OH 3.25Å; L532-Y901 WeakPolarHBondContact CD2-OH 3.39Å; M538-Y901 HydrophobicContact CE-CD1 3.99Å; M538-Y901 HydrophobicContact CE-CE1 3.57Å; M538-Y901 HydrophobicContact SD-CE1 4.35Å; E897-Y901 HydrophobicContact CB-CE2 3.87Å; E897-Y901 VanDerWaalsContact CD-OH 3.28Å; E897-Y901 HydrophobicContact CG-CE2 4.23Å; E897-Y901 WeakPolarHBondContact CG-OH 3.38Å; E897-Y901 WeakPolarHBondContact O-CD2 3.43Å; E897-Y901 VanDerWaalsContact O-CG 3.3Å; E897-Y901 PolarHBondContact O-N 3.41Å; E897-Y901 WeakPolarHBondContact OE2-CE2 3.24Å; E897-Y901 PolarHBondContact OE2-OH 2.95Å; I898-Y901 HydrophobicContact CD1-CD2 4.14Å; I898-Y901 PolarHBondContact O-N 3.47Å; Y901-A903 VanDerWaalsContact C-N 3.34Å; Y901-M904 HydrophobicContact CD1-SD 4.28Å; Y901-M904 PolarHBondContact O-N 3.09Å; Y901-Y905 WeakPolarHBondContact O-CD2 3.31Å; Y901-Y905 PolarHBondContact O-N 3.18Å; Y901-P952 WeakPolarHBondContact OH-CA 3.34Å; Y901-P952 WeakPolarHBondContact OH-CB 3.42Å; Y901-M955 HydrophobicContact CD2-CG 4.28Å; Y901-M955 HydrophobicContact CE2-CB 4.12Å; Y901-M955 HydrophobicContact CE2-CG 3.72Å; Y901-K956 HydrophobicContact CD1-CB 4.2Å; Y901-K956 HydrophobicContact CD1-CD 3.94Å; Y901-K956 HydrophobicContact CD1-CG 4.21Å; Y901-K956 HydrophobicContact CD2-CB 4.08Å; Y901-K956 HydrophobicContact CE1-CB 4.45Å; Y901-K956 HydrophobicContact CE1-CD 4.48Å; Y901-K956 HydrophobicContact CE2-CB 4.36Å; Y901-K956 HydrophobicContact CG-CB 4.03Å; Y901-K956 HydrophobicContact CG-CD 4.32Å; Y901-K956 HydrophobicContact CG-CG 4.1Å |
| 902 | L | 93.1 | Very high | 88 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 173.2 | -72.2 | 166.4 | 0 | 0 | 0 | 110.8 | L848 I898 M899 V900 Y905 M906 F913 L919 I921 I924 L959 L963 | L848-L902 HydrophobicContact CD1-CB 3.84Å; L848-L902 HydrophobicContact CD2-CB 4.03Å; I898-L902 HydrophobicContact CG2-CD1 3.79Å; I898-L902 HydrophobicContact CG2-CG 4.11Å; I898-L902 WeakPolarHBondContact O-CB 3.23Å; I898-L902 WeakPolarHBondContact O-CD1 3.46Å; I898-L902 WeakPolarHBondContact O-CG 3.49Å; I898-L902 PolarHBondContact O-N 2.87Å; M899-L902 PolarHBondContact O-N 3.44Å; V900-L902 PolarHBondContact O-N 3.26Å; L902-Y905 PolarHBondContact O-N 2.9Å; L902-M906 WeakPolarHBondContact O-CB 3.49Å; L902-M906 PolarHBondContact O-N 3.05Å; L902-F913 HydrophobicContact CD2-CE1 3.72Å; L902-F913 HydrophobicContact CD2-CZ 4.02Å; L902-F913 WeakPolarHBondContact O-CZ 3.46Å; L902-L919 HydrophobicContact CD1-CD1 4.39Å; L902-I921 HydrophobicContact CD1-CG1 3.98Å; L902-I924 HydrophobicContact CD1-CD1 4.38Å; L902-I924 HydrophobicContact CD2-CD1 4.36Å; L902-L959 HydrophobicContact CD2-CD1 4.21Å; L902-L959 HydrophobicContact CD2-CD2 4.13Å; L902-L959 HydrophobicContact CG-CD2 4.13Å; L902-L963 HydrophobicContact CD2-CD1 4.09Å; L902-L963 HydrophobicContact CD2-CD2 4.47Å |
| 903 | A | 88.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.4 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A844 D847 L848 M899 V900 Y901 Y905 M906 R907 | A844-A903 HydrophobicContact CB-CB 3.54Å; D847-A903 HydrophobicContact CB-CB 4.2Å; L848-A903 HydrophobicContact CD1-CB 4.44Å; L848-A903 HydrophobicContact CG-CB 4.11Å; M899-A903 PolarHBondContact O-N 3.42Å; V900-A903 PolarHBondContact O-N 3.21Å; Y901-A903 VanDerWaalsContact C-N 3.34Å; A903-Y905 VanDerWaalsContact C-N 3.32Å; A903-Y905 PolarHBondContact O-N 2.83Å; A903-M906 WeakPolarHBondContact O-CB 3.5Å; A903-M906 PolarHBondContact O-N 2.79Å; A903-M906 VanDerWaalsContact O-N 3.1Å; A903-R907 PolarHBondContact O-N 3.43Å |
| 904 | M | 86.7 | Confident | 87.4 | Confident | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.025 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.5 | -44.2 | 172.4 | -68.4 | 177.6 | 83.5 | 0 | 0 | 111.7 | M538 E541 M542 V900 Y901 M906 R907 T908 K956 | M538-M904 HydrophobicContact CE-CE 3.93Å; M538-M904 HydrophobicContact CE-SD 3.61Å; E541-M904 HydrophobicContact CG-CE 4.28Å; M542-M904 HydrophobicContact CG-CE 3.84Å; V900-M904 HydrophobicContact CG1-CG 4.49Å; V900-M904 HydrophobicContact CG1-SD 4.42Å; V900-M904 WeakPolarHBondContact O-CG 3.28Å; V900-M904 PolarHBondContact O-N 2.74Å; Y901-M904 HydrophobicContact CD1-SD 4.28Å; Y901-M904 PolarHBondContact O-N 3.09Å; M904-M906 VanDerWaalsContact C-N 3.34Å; M904-R907 PolarHBondContact O-N 3.18Å; M904-T908 WeakPolarHBondContact O-CB 3.49Å; M904-T908 WeakPolarHBondContact O-CG2 3.49Å; M904-T908 PolarHBondContact O-N 3.5Å; M904-T908 PolarHBondContact O-OG1 3.25Å; M904-K956 HydrophobicContact CE-CD 4.5Å; M904-K956 HydrophobicContact SD-CD 4.17Å |
| 905 | Y | 88.9 | Confident | 86.9 | Confident | 6 Ų | 6 | 24 Ų | 24 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.1 | -30.7 | 175.3 | -77.8 | -57.2 | 0 | 0 | 0 | 112.9 | Y901 L902 A903 Q909 L912 K956 L959 H960 | Y901-Y905 WeakPolarHBondContact O-CD2 3.31Å; Y901-Y905 PolarHBondContact O-N 3.18Å; L902-Y905 PolarHBondContact O-N 2.9Å; A903-Y905 VanDerWaalsContact C-N 3.32Å; A903-Y905 PolarHBondContact O-N 2.83Å; Y905-Q909 CarbonylContact O-C 3.3Å; Y905-Q909 VanDerWaalsContact O-CA 3.31Å; Y905-Q909 WeakPolarHBondContact O-CA 3.26Å; Y905-Q909 PolarHBondContact O-N 3.4Å; Y905-L912 HydrophobicContact CD1-CD1 3.88Å; Y905-L912 HydrophobicContact CG-CD1 4.17Å; Y905-K956 HydrophobicContact CE2-CD 4.47Å; Y905-K956 HydrophobicContact CE2-CG 3.61Å; Y905-K956 WeakPolarHBondContact CE2-O 3.43Å; Y905-K956 VanDerWaalsContact CZ-NZ 3.29Å; Y905-K956 WeakPolarHBondContact OH-CG 3.44Å; Y905-K956 PolarHBondContact OH-NZ 3.34Å; Y905-K956 PolarHBondContact OH-O 3.03Å; Y905-L959 HydrophobicContact CD2-CD2 4.36Å; Y905-H960 HydrophobicContact CE1-CB 4.01Å; Y905-H960 AromaticContact CE1-CD2 3.99Å; Y905-H960 HydrophobicContact CE2-CB 4.07Å; Y905-H960 WeakPolarHBondContact OH-CB 3.46Å |
| 906 | M | 85.2 | Confident | 86.6 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.1 | -43.5 | 174.4 | -165.8 | 66.5 | 67.4 | 0 | 0 | 111.6 | L848 Y851 K853 L902 A903 M904 P910 F913 | L848-M906 HydrophobicContact CD2-CB 4.05Å; L848-M906 HydrophobicContact CD2-CE 3.71Å; L848-M906 HydrophobicContact CD2-CG 4.44Å; Y851-M906 HydrophobicContact CD1-CG 4.21Å; Y851-M906 HydrophobicContact CD1-SD 4.39Å; Y851-M906 HydrophobicContact CD2-CB 4.35Å; Y851-M906 HydrophobicContact CD2-CG 3.18Å; Y851-M906 HydrophobicContact CD2-SD 4.22Å; Y851-M906 HydrophobicContact CE2-CG 3.82Å; Y851-M906 HydrophobicContact CG-CG 3.43Å; Y851-M906 VanDerWaalsContact CG-CG 3.43Å; Y851-M906 HydrophobicContact CG-SD 3.83Å; K853-M906 HydrophobicContact CD-CE 4.26Å; K853-M906 HydrophobicContact CG-CE 3.49Å; K853-M906 VanDerWaalsContact CG-CE 3.49Å; L902-M906 WeakPolarHBondContact O-CB 3.49Å; L902-M906 PolarHBondContact O-N 3.05Å; A903-M906 WeakPolarHBondContact O-CB 3.5Å; A903-M906 PolarHBondContact O-N 2.79Å; A903-M906 VanDerWaalsContact O-N 3.1Å; M904-M906 VanDerWaalsContact C-N 3.34Å; M906-P910 WeakPolarHBondContact O-CB 3.49Å; M906-P910 WeakPolarHBondContact O-CD 3.38Å; M906-P910 HydrophobicContact SD-CB 4.33Å; M906-F913 HydrophobicContact CB-CE2 4.22Å; M906-F913 HydrophobicContact CE-CB 3.67Å; M906-F913 HydrophobicContact CE-CD1 3.52Å; M906-F913 HydrophobicContact CE-CD2 3.45Å; M906-F913 VanDerWaalsContact CE-CD2 3.45Å; M906-F913 HydrophobicContact CE-CE1 3.93Å; M906-F913 HydrophobicContact CE-CE2 3.88Å; M906-F913 HydrophobicContact CE-CG 3.25Å; M906-F913 HydrophobicContact CE-CZ 4.09Å; M906-F913 HydrophobicContact SD-CB 4.01Å; M906-F913 HydrophobicContact SD-CD2 3.6Å; M906-F913 VanDerWaalsContact SD-CD2 3.6Å; M906-F913 HydrophobicContact SD-CE2 4.22Å; M906-F913 HydrophobicContact SD-CG 3.86Å |
| 907 | R | 77.3 | Confident | 86 | Confident | 76 Ų | 76 | 24.9 Ų | 24.9 | 29% | 0.287 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -66.7 | -37.6 | 176.9 | -75.6 | -165.9 | -89.5 | 135.8 | -3.5 | 113.1 | D847 A903 M904 | D847-R907 WeakPolarHBondContact OD2-CD 3.41Å; D847-R907 WeakPolarHBondContact OD2-CG 3.48Å; D847-R907 IonicContact OD2-CZ 3.99Å; D847-R907 IonicContact OD2-NE 3.14Å; D847-R907 PolarHBondContact OD2-NE 2.81Å; A903-R907 PolarHBondContact O-N 3.43Å; M904-R907 PolarHBondContact O-N 3.18Å |
| 908 | T | 79.5 | Confident | 85.7 | Confident | 53 Ų | 53 | 25.9 Ų | 25.9 | 33% | 0.325 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -96.8 | -32.7 | -173.6 | 56.1 | 0 | 0 | 0 | 0 | 114.8 | T545 M904 | T545-T908 HydrophobicContact CG2-CG2 3.87Å; M904-T908 WeakPolarHBondContact O-CB 3.49Å; M904-T908 WeakPolarHBondContact O-CG2 3.49Å; M904-T908 PolarHBondContact O-N 3.5Å; M904-T908 PolarHBondContact O-OG1 3.25Å |
| 909 | Q | 83.4 | Confident | 85.6 | Confident | 88 Ų | 88 | 26 Ų | 26 | 41% | 0.411 | 15% | 0.154 | S | C | . | . | trans | -144.4 | 59.5 | -173.7 | -60.5 | -170.5 | 12.7 | 0 | 0 | 112 | Y905 G911 L912 | Y905-Q909 CarbonylContact O-C 3.3Å; Y905-Q909 VanDerWaalsContact O-CA 3.31Å; Y905-Q909 WeakPolarHBondContact O-CA 3.26Å; Y905-Q909 PolarHBondContact O-N 3.4Å; Q909-G911 PolarHBondContact O-N 3.14Å; Q909-L912 HydrophobicContact CB-CD1 3.85Å; Q909-L912 HydrophobicContact CB-CG 4.09Å; Q909-L912 WeakPolarHBondContact O-CB 3.33Å; Q909-L912 WeakPolarHBondContact O-CG 3.18Å; Q909-L912 PolarHBondContact O-N 3.13Å | ||
| 910 | P | 81.8 | Confident | 85.4 | Confident | 65 Ų | 65 | 26.2 Ų | 26.2 | 42% | 0.422 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -57.7 | -22.4 | -175 | 22 | -32.9 | 0 | 0 | 0 | 114 | M906 L912 F913 | M906-P910 WeakPolarHBondContact O-CB 3.49Å; M906-P910 WeakPolarHBondContact O-CD 3.38Å; M906-P910 HydrophobicContact SD-CB 4.33Å; P910-L912 PolarHBondContact O-N 3.45Å; P910-F913 PolarHBondContact O-N 3.21Å |
| 911 | G | 81.8 | Confident | 85.4 | Confident | 64 Ų | 64 | 25.7 Ų | 25.7 | 66% | 0.66 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -61.3 | -18.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q909 F913 A914 | Q909-G911 PolarHBondContact O-N 3.14Å; G911-F913 PolarHBondContact O-N 3.45Å; G911-A914 WeakPolarHBondContact O-CB 3.31Å; G911-A914 PolarHBondContact O-N 3.25Å |
| 912 | L | 86 | Confident | 85.3 | Confident | 21 Ų | 21 | 26 Ų | 26 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -64.5 | -28.7 | 169.6 | -67.5 | 173.3 | 0 | 0 | 0 | 112.1 | Y905 Q909 P910 L963 R1084 | Y905-L912 HydrophobicContact CD1-CD1 3.88Å; Y905-L912 HydrophobicContact CG-CD1 4.17Å; Q909-L912 HydrophobicContact CB-CD1 3.85Å; Q909-L912 HydrophobicContact CB-CG 4.09Å; Q909-L912 WeakPolarHBondContact O-CB 3.33Å; Q909-L912 WeakPolarHBondContact O-CG 3.18Å; Q909-L912 PolarHBondContact O-N 3.13Å; P910-L912 PolarHBondContact O-N 3.45Å; L912-L963 HydrophobicContact CB-CB 4.39Å; L912-R1084 PolarHBondContact O-NH2 3.29Å |
| 913 | F | 87.9 | Confident | 85 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -101.1 | 16.8 | -178.7 | -52.8 | -91.6 | 0 | 0 | 0 | 112.9 | K853 L902 M906 P910 G911 M916 L919 L963 | K853-F913 PolarHBondContact NZ-O 3.02Å; L902-F913 HydrophobicContact CD2-CE1 3.72Å; L902-F913 HydrophobicContact CD2-CZ 4.02Å; L902-F913 WeakPolarHBondContact O-CZ 3.46Å; M906-F913 HydrophobicContact CB-CE2 4.22Å; M906-F913 HydrophobicContact CE-CB 3.67Å; M906-F913 HydrophobicContact CE-CD1 3.52Å; M906-F913 HydrophobicContact CE-CD2 3.45Å; M906-F913 VanDerWaalsContact CE-CD2 3.45Å; M906-F913 HydrophobicContact CE-CE1 3.93Å; M906-F913 HydrophobicContact CE-CE2 3.88Å; M906-F913 HydrophobicContact CE-CG 3.25Å; M906-F913 HydrophobicContact CE-CZ 4.09Å; M906-F913 HydrophobicContact SD-CB 4.01Å; M906-F913 HydrophobicContact SD-CD2 3.6Å; M906-F913 VanDerWaalsContact SD-CD2 3.6Å; M906-F913 HydrophobicContact SD-CE2 4.22Å; M906-F913 HydrophobicContact SD-CG 3.86Å; P910-F913 PolarHBondContact O-N 3.21Å; G911-F913 PolarHBondContact O-N 3.45Å; F913-M916 HydrophobicContact CD1-CE 4.16Å; F913-M916 PolarHBondContact O-N 3.34Å; F913-L919 HydrophobicContact CD1-CD1 4.24Å; F913-L919 HydrophobicContact CD1-CD2 3.97Å; F913-L919 HydrophobicContact CE1-CD1 4.06Å; F913-L919 HydrophobicContact CE1-CD2 4.35Å; F913-L963 HydrophobicContact CE1-CD1 4.14Å; F913-L963 HydrophobicContact CE1-CD2 4.27Å; F913-L963 HydrophobicContact CZ-CD1 3.87Å |
| 914 | A | 78.3 | Confident | 85.1 | Confident | 52 Ų | 52 | 26.2 Ų | 26.2 | 43% | 0.43 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 141.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | G911 M916 | G911-A914 WeakPolarHBondContact O-CB 3.31Å; G911-A914 PolarHBondContact O-N 3.25Å; A914-M916 PolarHBondContact O-N 3.27Å |
| 915 | E | 79.6 | Confident | 85.3 | Confident | 45 Ų | 45 | 27.1 Ų | 27.1 | 21% | 0.21 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 1.5 | 177.5 | -68.2 | 176.2 | 140.6 | 0 | 0 | 116.7 | R1000 R1084 V1085 P1086 I1087 | E915-R1000 IonicContact OE1-CZ 3.92Å; E915-R1000 IonicContact OE1-NH1 2.74Å; E915-R1000 PolarHBondContact OE1-NH1 3.33Å; E915-R1000 IonicContact OE1-NH2 3.86Å; E915-R1000 IonicContact OE2-CZ 3.21Å; E915-R1000 IonicContact OE2-NH1 2.73Å; E915-R1000 PolarHBondContact OE2-NH1 3.13Å; E915-R1000 IonicContact OE2-NH2 2.75Å; E915-R1000 PolarHBondContact OE2-NH2 3.3Å; E915-R1084 WeakPolarHBondContact O-CA 3.37Å; E915-V1085 WeakPolarHBondContact CB-O 3.47Å; E915-V1085 VanDerWaalsContact CG-O 3.29Å; E915-V1085 WeakPolarHBondContact CG-O 3.43Å; E915-V1085 PolarHBondContact O-N 3.49Å; E915-V1085 VanDerWaalsContact O-N 3.16Å; E915-P1086 WeakPolarHBondContact OE1-CA 3.17Å; E915-I1087 HydrophobicContact CG-CG1 4.09Å; E915-I1087 PolarHBondContact OE1-N 3.48Å |
| 916 | M | 85.6 | Confident | 85.2 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -99.2 | 119.8 | 174.7 | -61.9 | 170.6 | 56.8 | 0 | 0 | 109.2 | K853 F913 A914 L919 L963 L1082 R1084 | K853-M916 WeakPolarHBondContact CD-O 3.43Å; K853-M916 PolarHBondContact NZ-O 2.99Å; F913-M916 HydrophobicContact CD1-CE 4.16Å; F913-M916 PolarHBondContact O-N 3.34Å; A914-M916 PolarHBondContact O-N 3.27Å; M916-L919 HydrophobicContact CB-CD2 4.33Å; M916-L919 HydrophobicContact CE-CD2 3.5Å; M916-L963 HydrophobicContact CE-CD2 3.89Å; M916-L963 HydrophobicContact SD-CD2 4.42Å; M916-L1082 HydrophobicContact CE-CB 3.93Å; M916-L1082 HydrophobicContact CE-CD2 3.84Å; M916-L1082 HydrophobicContact CE-CG 4.34Å; M916-L1082 WeakPolarHBondContact CG-O 3.22Å; M916-L1082 HydrophobicContact SD-CB 4.25Å; M916-R1084 HydrophobicContact CG-CG 3.43Å; M916-R1084 VanDerWaalsContact CG-CG 3.43Å; M916-R1084 HydrophobicContact SD-CG 4.27Å; M916-R1084 PolarHBondContact SD-NE 2.95Å; M916-R1084 VanDerWaalsContact SD-NE 3.37Å; M916-R1084 PolarHBondContact SD-NH2 2.83Å; M916-R1084 VanDerWaalsContact SD-NH2 3.43Å |
| 917 | F | 79.6 | Confident | 85.3 | Confident | 27 Ų | 27 | 31.8 Ų | 31.8 | 12% | 0.118 | 18% | 0.183 | C | C | . | . | trans | -105.4 | -28.4 | -179.1 | -175.2 | -100.2 | 0 | 0 | 0 | 113.9 | K853 H854 Y1090 I1123 V1127 E1130 | K853-F917 WeakPolarHBondContact CA-O 3.25Å; H854-F917 AromaticContact CD2-CE1 3.36Å; H854-F917 WeakPolarHBondContact CD2-CE1 3.45Å; H854-F917 AromaticContact CD2-CZ 3.34Å; H854-F917 WeakPolarHBondContact CD2-CZ 3.13Å; H854-F917 PolarHBondContact N-O 3.43Å; H854-F917 VanDerWaalsContact N-O 3.08Å; H854-F917 AromaticContact NE2-CE1 3.93Å; H854-F917 AromaticContact NE2-CZ 3.57Å; F917-Y1090 HydrophobicContact CB-CE2 4.49Å; F917-I1123 HydrophobicContact CE2-CG2 3.79Å; F917-I1123 HydrophobicContact CZ-CG2 3.52Å; F917-V1127 HydrophobicContact CE1-CB 4.3Å; F917-V1127 HydrophobicContact CE1-CG2 3.56Å; F917-V1127 HydrophobicContact CZ-CG2 3.6Å; F917-E1130 HydrophobicContact CD1-CG 4.01Å | ||
| 918 | R | 86.3 | Confident | 85.9 | Confident | 23 Ų | 23 | 28.2 Ų | 28.2 | 9% | 0.087 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 119.6 | 179.5 | -178.8 | -177.8 | -180 | 116.5 | -14 | 110.5 | H854 T856 T867 N1083 | H854-R918 HydrophobicContact CB-CB 4.28Å; H854-R918 HydrophobicContact CB-CG 4.11Å; H854-R918 CarbonylContact O-C 3.29Å; H854-R918 VanDerWaalsContact O-CA 3.23Å; H854-R918 WeakPolarHBondContact O-CA 3.36Å; T856-R918 VanDerWaalsContact CG2-CZ 3.47Å; T867-R918 PolarHBondContact OG1-NH2 3.34Å; R918-N1083 PolarHBondContact O-ND2 3.12Å |
| 919 | L | 89.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 114.9 | 179.3 | -47 | -178.3 | 0 | 0 | 0 | 109.4 | L848 K853 H854 L855 T856 L902 F913 M916 I924 | L848-L919 HydrophobicContact CD2-CD1 3.94Å; K853-L919 HydrophobicContact CB-CD1 4.11Å; K853-L919 HydrophobicContact CB-CG 4.07Å; K853-L919 HydrophobicContact CG-CD1 4.47Å; H854-L919 PolarHBondContact O-N 3.23Å; L855-L919 HydrophobicContact CD2-CB 3.85Å; L855-L919 HydrophobicContact CD2-CD1 3.82Å; L855-L919 HydrophobicContact CD2-CG 4.05Å; T856-L919 PolarHBondContact N-O 2.67Å; L902-L919 HydrophobicContact CD1-CD1 4.39Å; F913-L919 HydrophobicContact CD1-CD1 4.24Å; F913-L919 HydrophobicContact CD1-CD2 3.97Å; F913-L919 HydrophobicContact CE1-CD1 4.06Å; F913-L919 HydrophobicContact CE1-CD2 4.35Å; M916-L919 HydrophobicContact CB-CD2 4.33Å; M916-L919 HydrophobicContact CE-CD2 3.5Å; L919-I924 HydrophobicContact CB-CD1 4.47Å |
| 920 | R | 89.6 | Confident | 86.3 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 2% | 0.023 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 90.9 | 178 | -56.8 | 178.3 | 87.1 | 168 | 9.2 | 109.5 | T856 E865 G922 L923 I924 N1083 N1134 | T856-R920 VanDerWaalsContact OG1-CA 3.3Å; T856-R920 WeakPolarHBondContact OG1-CA 3.37Å; T856-R920 WeakPolarHBondContact OG1-CG 3.31Å; E865-R920 IonicContact OE1-CZ 3.66Å; E865-R920 IonicContact OE1-NE 3Å; E865-R920 PolarHBondContact OE1-NE 3.4Å; E865-R920 IonicContact OE1-NH2 3.95Å; E865-R920 PolarHBondContact OE1-NH2 3.15Å; E865-R920 IonicContact OE2-CZ 3.22Å; E865-R920 IonicContact OE2-NE 2.79Å; E865-R920 IonicContact OE2-NH2 3.87Å; E865-R920 PolarHBondContact OE2-NH2 2.82Å; R920-G922 VanDerWaalsContact C-N 3.31Å; R920-G922 PolarHBondContact O-N 3.21Å; R920-L923 HydrophobicContact CB-CB 4.09Å; R920-L923 HydrophobicContact CB-CD1 4.28Å; R920-L923 HydrophobicContact CB-CG 4.21Å; R920-L923 PolarHBondContact O-N 3.32Å; R920-I924 WeakPolarHBondContact O-CG1 3.49Å; R920-I924 PolarHBondContact O-N 3.31Å; R920-N1083 WeakPolarHBondContact CD-ND2 3.24Å; R920-N1134 VanDerWaalsContact CD-OD1 3.3Å; R920-N1134 WeakPolarHBondContact CD-OD1 3.41Å; R920-N1134 PolarHBondContact NH1-O 2.85Å; R920-N1134 PolarHBondContact NH1-OD1 2.85Å; R920-N1134 PolarHBondContact NH2-O 2.7Å |
| 921 | I | 92.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.3 | -38 | -166.1 | -62.9 | 153.2 | 0 | 0 | 0 | 111.4 | L855 T856 V857 T895 I898 M899 L902 L923 I924 I925 | L855-I921 HydrophobicContact CB-CD1 4.48Å; T856-I921 WeakPolarHBondContact O-CB 3.25Å; T856-I921 WeakPolarHBondContact O-CD1 3.4Å; T856-I921 WeakPolarHBondContact O-CG1 3.46Å; T856-I921 PolarHBondContact O-N 2.84Å; V857-I921 HydrophobicContact CG1-CB 4.37Å; V857-I921 HydrophobicContact CG1-CD1 3.64Å; T895-I921 HydrophobicContact CG2-CG2 3.94Å; I898-I921 HydrophobicContact CB-CG2 4.19Å; I898-I921 HydrophobicContact CG2-CG2 3.87Å; M899-I921 HydrophobicContact CG-CD1 3.46Å; M899-I921 VanDerWaalsContact CG-CD1 3.46Å; M899-I921 HydrophobicContact CG-CG1 4.48Å; M899-I921 HydrophobicContact SD-CD1 3.98Å; L902-I921 HydrophobicContact CD1-CG1 3.98Å; I921-L923 PolarHBondContact O-N 2.95Å; I921-I924 WeakPolarHBondContact O-CB 3.41Å; I921-I924 PolarHBondContact O-N 2.94Å; I921-I925 HydrophobicContact CG2-CD1 4.1Å; I921-I925 WeakPolarHBondContact O-CG1 3.48Å; I921-I925 PolarHBondContact O-N 2.81Å |
| 922 | G | 89.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 18.5 Ų | 18.5 | 7% | 0.072 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | G858 L859 R920 I925 Q926 | G858-G922 WeakPolarHBondContact O-CA 3.42Å; L859-G922 WeakPolarHBondContact CD2-O 3.36Å; R920-G922 VanDerWaalsContact C-N 3.31Å; R920-G922 PolarHBondContact O-N 3.21Å; G922-I925 PolarHBondContact O-N 2.85Å; G922-Q926 WeakPolarHBondContact O-CB 3.47Å; G922-Q926 PolarHBondContact O-N 2.99Å |
| 923 | L | 87.7 | Confident | 86.3 | Confident | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70 | -32.3 | 174.7 | -68.7 | -169.7 | 0 | 0 | 0 | 112.4 | L859 P860 R920 I921 Q926 V927 A1081 | L859-L923 HydrophobicContact CD2-CD2 4.3Å; P860-L923 HydrophobicContact CG-CD1 4.39Å; P860-L923 HydrophobicContact CG-CD2 3.75Å; P860-L923 HydrophobicContact CG-CG 4.22Å; R920-L923 HydrophobicContact CB-CB 4.09Å; R920-L923 HydrophobicContact CB-CD1 4.28Å; R920-L923 HydrophobicContact CB-CG 4.21Å; R920-L923 PolarHBondContact O-N 3.32Å; I921-L923 PolarHBondContact O-N 2.95Å; L923-Q926 VanDerWaalsContact CD2-OE1 3.3Å; L923-Q926 PolarHBondContact O-N 2.62Å; L923-V927 WeakPolarHBondContact O-CB 3.35Å; L923-V927 VanDerWaalsContact O-CG2 3.32Å; L923-V927 WeakPolarHBondContact O-CG2 2.99Å; L923-V927 PolarHBondContact O-N 3.24Å; L923-A1081 HydrophobicContact CB-CB 4.33Å |
| 924 | I | 91 | Very high | 85.9 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 173 | -67.9 | 168.9 | 0 | 0 | 0 | 109.9 | I898 L902 L919 R920 I921 V927 M928 L959 L1082 | I898-I924 HydrophobicContact CG2-CG2 4.42Å; L902-I924 HydrophobicContact CD1-CD1 4.38Å; L902-I924 HydrophobicContact CD2-CD1 4.36Å; L919-I924 HydrophobicContact CB-CD1 4.47Å; R920-I924 WeakPolarHBondContact O-CG1 3.49Å; R920-I924 PolarHBondContact O-N 3.31Å; I921-I924 WeakPolarHBondContact O-CB 3.41Å; I921-I924 PolarHBondContact O-N 2.94Å; I924-V927 PolarHBondContact O-N 3.19Å; I924-M928 HydrophobicContact CG2-SD 4Å; I924-M928 VanDerWaalsContact O-CG 3.3Å; I924-M928 WeakPolarHBondContact O-CG 3.21Å; I924-M928 PolarHBondContact O-N 3.42Å; I924-L959 HydrophobicContact CG2-CD1 3.51Å; I924-L1082 HydrophobicContact CD1-CD2 4.28Å; I924-L1082 HydrophobicContact CG1-CD2 3.93Å |
| 925 | I | 89.9 | Confident | 86 | Confident | 24 Ų | 24 | 24.1 Ų | 24.1 | 12% | 0.123 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 175 | -68 | 165.9 | 0 | 0 | 0 | 110.9 | L894 I898 I921 G922 V927 M928 A929 L947 | L894-I925 HydrophobicContact CD2-CD1 4.38Å; L894-I925 HydrophobicContact CD2-CG1 4.46Å; L894-I925 HydrophobicContact CD2-CG2 3.95Å; L894-I925 HydrophobicContact CG-CD1 4.16Å; L894-I925 HydrophobicContact CG-CG1 4.49Å; I898-I925 HydrophobicContact CG1-CD1 4.28Å; I898-I925 HydrophobicContact CG1-CG1 4.02Å; I921-I925 HydrophobicContact CG2-CD1 4.1Å; I921-I925 WeakPolarHBondContact O-CG1 3.48Å; I921-I925 PolarHBondContact O-N 2.81Å; G922-I925 PolarHBondContact O-N 2.85Å; I925-V927 VanDerWaalsContact C-N 3.33Å; I925-V927 PolarHBondContact O-N 3.39Å; I925-M928 PolarHBondContact O-N 3.4Å; I925-A929 PolarHBondContact O-N 2.76Å; I925-L947 HydrophobicContact CG2-CD2 4.17Å |
| 926 | Q | 87.9 | Confident | 86 | Confident | 98 Ų | 98 | 23.5 Ų | 23.5 | 46% | 0.458 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 176.8 | -172.7 | -178.2 | 3.5 | 0 | 0 | 112.3 | L859 G922 L923 T930 | L859-Q926 HydrophobicContact CD2-CB 4.2Å; G922-Q926 WeakPolarHBondContact O-CB 3.47Å; G922-Q926 PolarHBondContact O-N 2.99Å; L923-Q926 VanDerWaalsContact CD2-OE1 3.3Å; L923-Q926 PolarHBondContact O-N 2.62Å; Q926-T930 WeakPolarHBondContact O-CB 3.48Å; Q926-T930 PolarHBondContact O-N 3.42Å; Q926-T930 PolarHBondContact O-OG1 3.32Å |
| 927 | V | 87.6 | Confident | 85.8 | Confident | 8 Ų | 8 | 34.3 Ų | 34.3 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 173.4 | 161.5 | 0 | 0 | 0 | 0 | 110.8 | L923 I924 I925 A929 T930 E931 I962 L1078 A1081 | L923-V927 WeakPolarHBondContact O-CB 3.35Å; L923-V927 VanDerWaalsContact O-CG2 3.32Å; L923-V927 WeakPolarHBondContact O-CG2 2.99Å; L923-V927 PolarHBondContact O-N 3.24Å; I924-V927 PolarHBondContact O-N 3.19Å; I925-V927 VanDerWaalsContact C-N 3.33Å; I925-V927 PolarHBondContact O-N 3.39Å; V927-A929 VanDerWaalsContact C-N 3.35Å; V927-A929 PolarHBondContact O-N 3.29Å; V927-T930 PolarHBondContact O-N 3.22Å; V927-E931 HydrophobicContact CG1-CG 4.16Å; V927-E931 WeakPolarHBondContact O-CB 3.23Å; V927-E931 VanDerWaalsContact O-CG 3.23Å; V927-E931 WeakPolarHBondContact O-CG 3.23Å; V927-E931 PolarHBondContact O-N 3.45Å; V927-I962 HydrophobicContact CG1-CD1 3.94Å; V927-I962 HydrophobicContact CG1-CG1 4.31Å; V927-I962 HydrophobicContact CG1-CG2 3.72Å; V927-L1078 HydrophobicContact CG1-CD2 3.52Å; V927-A1081 HydrophobicContact CG2-CB 3.66Å |
| 928 | M | 88.6 | Confident | 85.9 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.5 | -44.6 | 177.3 | -70.9 | 168.9 | 70.9 | 0 | 0 | 111.8 | I898 I924 I925 L932 L947 M955 L958 L959 I962 | I898-M928 HydrophobicContact CD1-CE 3.91Å; I898-M928 HydrophobicContact CD1-SD 4.01Å; I924-M928 HydrophobicContact CG2-SD 4Å; I924-M928 VanDerWaalsContact O-CG 3.3Å; I924-M928 WeakPolarHBondContact O-CG 3.21Å; I924-M928 PolarHBondContact O-N 3.42Å; I925-M928 PolarHBondContact O-N 3.4Å; M928-L932 WeakPolarHBondContact O-CG 3.41Å; M928-L932 PolarHBondContact O-N 3.41Å; M928-L947 HydrophobicContact CB-CD1 4.17Å; M928-L947 HydrophobicContact CB-CD2 4.47Å; M928-L947 HydrophobicContact CE-CD1 4.33Å; M928-M955 HydrophobicContact CE-CG 4.3Å; M928-M955 HydrophobicContact CE-SD 3.51Å; M928-M955 VanDerWaalsContact CE-SD 3.51Å; M928-L958 HydrophobicContact CB-CD2 3.97Å; M928-L958 HydrophobicContact CB-CG 4.41Å; M928-L958 HydrophobicContact CE-CB 4.07Å; M928-L958 HydrophobicContact CE-CD2 3.87Å; M928-L958 HydrophobicContact CE-CG 3.91Å; M928-L958 HydrophobicContact CG-CD2 4.29Å; M928-L958 HydrophobicContact CG-CG 4.23Å; M928-L959 HydrophobicContact CE-CB 4.01Å; M928-L959 HydrophobicContact SD-CB 4.21Å; M928-L959 HydrophobicContact SD-CD1 3.98Å; M928-I962 HydrophobicContact CG-CG1 3.88Å |
| 929 | A | 88.1 | Confident | 85.8 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 12% | 0.116 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I925 V927 E931 L932 A933 L947 | I925-A929 PolarHBondContact O-N 2.76Å; V927-A929 VanDerWaalsContact C-N 3.35Å; V927-A929 PolarHBondContact O-N 3.29Å; A929-E931 PolarHBondContact O-N 3.03Å; A929-L932 PolarHBondContact O-N 3.29Å; A929-A933 WeakPolarHBondContact O-CB 3.24Å; A929-A933 PolarHBondContact O-N 2.67Å; A929-L947 HydrophobicContact CB-CD2 4.02Å |
| 930 | T | 83.6 | Confident | 85 | Confident | 47 Ų | 47 | 39 Ų | 39 | 29% | 0.288 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.8 | -38.1 | -179.6 | -57.5 | 0 | 0 | 0 | 0 | 112 | Q926 V927 A933 H934 | Q926-T930 WeakPolarHBondContact O-CB 3.48Å; Q926-T930 PolarHBondContact O-N 3.42Å; Q926-T930 PolarHBondContact O-OG1 3.32Å; V927-T930 PolarHBondContact O-N 3.22Å; T930-A933 PolarHBondContact O-N 3.29Å; T930-H934 PolarHBondContact O-N 3.49Å |
| 931 | E | 83.1 | Confident | 84.3 | Confident | 5 Ų | 5 | 45 Ų | 45 | 2% | 0.023 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.7 | -38.9 | 178.3 | -70 | -73.1 | 147.6 | 0 | 0 | 111.4 | V927 A929 H934 S935 I962 F968 R1074 | V927-E931 HydrophobicContact CG1-CG 4.16Å; V927-E931 WeakPolarHBondContact O-CB 3.23Å; V927-E931 VanDerWaalsContact O-CG 3.23Å; V927-E931 WeakPolarHBondContact O-CG 3.23Å; V927-E931 PolarHBondContact O-N 3.45Å; A929-E931 PolarHBondContact O-N 3.03Å; E931-H934 PolarHBondContact O-N 3.36Å; E931-S935 WeakPolarHBondContact O-CB 3.45Å; E931-S935 PolarHBondContact O-N 3.42Å; E931-S935 PolarHBondContact O-OG 3.01Å; E931-S935 VanDerWaalsContact O-OG 3.06Å; E931-I962 HydrophobicContact CB-CD1 4.04Å; E931-I962 HydrophobicContact CG-CD1 3.75Å; E931-F968 HydrophobicContact CB-CZ 4.26Å; E931-R1074 VanDerWaalsContact CD-NE 3.32Å; E931-R1074 WeakPolarHBondContact OE1-CG 3.43Å; E931-R1074 IonicContact OE1-CZ 2.67Å; E931-R1074 IonicContact OE1-NE 3.96Å; E931-R1074 PolarHBondContact OE1-NE 2.89Å; E931-R1074 VanDerWaalsContact OE1-NE 3.14Å; E931-R1074 IonicContact OE2-CZ 2.69Å; E931-R1074 IonicContact OE2-NE 3.85Å; E931-R1074 PolarHBondContact OE2-NE 2.62Å; E931-R1074 IonicContact OE2-NH2 3.66Å; E931-R1074 PolarHBondContact OE2-NH2 3.02Å |
| 932 | L | 83.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 168.2 | -74.7 | 172.8 | 0 | 0 | 0 | 111.8 | M928 A929 H934 S935 L936 A943 L947 L950 L958 V970 I985 | M928-L932 WeakPolarHBondContact O-CG 3.41Å; M928-L932 PolarHBondContact O-N 3.41Å; A929-L932 PolarHBondContact O-N 3.29Å; L932-H934 VanDerWaalsContact C-N 3.3Å; L932-H934 PolarHBondContact O-N 2.9Å; L932-S935 PolarHBondContact O-N 3.28Å; L932-L936 VanDerWaalsContact O-CB 3.29Å; L932-L936 WeakPolarHBondContact O-CB 3.34Å; L932-L936 WeakPolarHBondContact O-CG 3.32Å; L932-L936 PolarHBondContact O-N 3.42Å; L932-A943 HydrophobicContact CB-CB 4.47Å; L932-L947 HydrophobicContact CD1-CB 3.83Å; L932-L947 HydrophobicContact CD1-CD1 3.74Å; L932-L947 HydrophobicContact CD1-CG 4.37Å; L932-L950 HydrophobicContact CD1-CD1 4.4Å; L932-L958 HydrophobicContact CD1-CD2 3.78Å; L932-L958 HydrophobicContact CD2-CD2 4.13Å; L932-L958 HydrophobicContact CG-CD2 3.84Å; L932-V970 HydrophobicContact CD2-CG1 3.97Å; L932-V970 HydrophobicContact CD2-CG2 4.44Å; L932-I985 HydrophobicContact CD2-CG2 4.32Å |
| 933 | A | 83.1 | Confident | 83.3 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.7 | -42.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A929 T930 R937 C938 A943 | A929-A933 WeakPolarHBondContact O-CB 3.24Å; A929-A933 PolarHBondContact O-N 2.67Å; T930-A933 PolarHBondContact O-N 3.29Å; A933-R937 VanDerWaalsContact O-CA 3.25Å; A933-R937 WeakPolarHBondContact O-CA 3.49Å; A933-R937 PolarHBondContact O-N 3.21Å; A933-C938 PolarHBondContact O-N 3.08Å; A933-A943 HydrophobicContact CB-CB 3.55Å |
| 934 | H | 80.2 | Confident | 83.1 | Confident | 137 Ų | 137 | 51.3 Ų | 51.3 | 63% | 0.634 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -67.6 | -48.2 | 177.8 | -173.6 | 72.2 | 0 | 0 | 0 | 112.5 | T930 E931 L932 R937 | T930-H934 PolarHBondContact O-N 3.49Å; E931-H934 PolarHBondContact O-N 3.36Å; L932-H934 VanDerWaalsContact C-N 3.3Å; L932-H934 PolarHBondContact O-N 2.9Å; H934-R937 PolarHBondContact O-N 3.4Å |
| 935 | S | 80.5 | Confident | 82.7 | Confident | 37 Ų | 37 | 57 Ų | 57 | 26% | 0.259 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | -178.2 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | E931 L932 | E931-S935 WeakPolarHBondContact O-CB 3.45Å; E931-S935 PolarHBondContact O-N 3.42Å; E931-S935 PolarHBondContact O-OG 3.01Å; E931-S935 VanDerWaalsContact O-OG 3.06Å; L932-S935 PolarHBondContact O-N 3.28Å |
| 936 | L | 78.9 | Confident | 82.4 | Confident | 31 Ų | 31 | 56.6 Ų | 56.6 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -83.1 | -10.9 | 179.3 | -63.4 | -178.2 | 0 | 0 | 0 | 113.7 | L932 C938 V970 R972 I985 | L932-L936 VanDerWaalsContact O-CB 3.29Å; L932-L936 WeakPolarHBondContact O-CB 3.34Å; L932-L936 WeakPolarHBondContact O-CG 3.32Å; L932-L936 PolarHBondContact O-N 3.42Å; L936-C938 HydrophobicContact CB-CB 4.43Å; L936-C938 PolarHBondContact O-N 2.89Å; L936-V970 HydrophobicContact CD2-CB 4.17Å; L936-V970 HydrophobicContact CD2-CG1 3.69Å; L936-V970 HydrophobicContact CG-CG1 4.06Å; L936-R972 HydrophobicContact CD2-CG 4.03Å; L936-I985 HydrophobicContact CD1-CD1 4Å; L936-I985 HydrophobicContact CD1-CG1 4.33Å |
| 937 | R | 80.4 | Confident | 82.3 | Confident | 231 Ų | 231 | 52.1 Ų | 52.1 | 87% | 0.872 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 33.5 | -175.7 | -54.3 | -177.1 | 178.8 | -171.6 | 1 | 113.9 | A933 H934 | A933-R937 VanDerWaalsContact O-CA 3.25Å; A933-R937 WeakPolarHBondContact O-CA 3.49Å; A933-R937 PolarHBondContact O-N 3.21Å; H934-R937 PolarHBondContact O-N 3.4Å |
| 938 | C | 83.6 | Confident | 82.3 | Confident | 23 Ų | 23 | 53 Ų | 53 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | trans | -101.4 | 175 | -178 | 66.3 | 0 | 0 | 0 | 0 | 112.4 | A933 L936 E942 | A933-C938 PolarHBondContact O-N 3.08Å; L936-C938 HydrophobicContact CB-CB 4.43Å; L936-C938 PolarHBondContact O-N 2.89Å; C938-E942 HydrophobicContact CB-CB 3.92Å; C938-E942 HydrophobicContact CB-CG 4.46Å; C938-E942 WeakPolarHBondContact CB-OE2 3.43Å | ||
| 939 | S | 82.3 | Confident | 82.3 | Confident | 53 Ų | 53 | 54.6 Ų | 54.6 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | trans | -65.4 | 161.8 | 170.9 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | E941 E942 A943 | S939-E941 VanDerWaalsContact C-N 3.25Å; S939-E941 PolarHBondContact O-N 3.4Å; S939-E942 WeakPolarHBondContact CB-OE1 3.39Å; S939-E942 PolarHBondContact N-OE1 2.98Å; S939-E942 WeakPolarHBondContact OG-CB 3.31Å; S939-E942 VanDerWaalsContact OG-CG 3.27Å; S939-E942 WeakPolarHBondContact OG-CG 3.33Å; S939-E942 PolarHBondContact OG-N 3.03Å; S939-E942 PolarHBondContact OG-OE1 2.88Å; S939-A943 WeakPolarHBondContact O-CB 3.27Å; S939-A943 PolarHBondContact O-N 3.3Å | ||
| 940 | A | 74.3 | Confident | 82.4 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 61% | 0.612 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.8 | -28 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T944 | A940-T944 WeakPolarHBondContact O-CB 3.49Å; A940-T944 PolarHBondContact O-N 2.69Å; A940-T944 VanDerWaalsContact O-N 3.11Å; A940-T944 PolarHBondContact O-OG1 3.4Å |
| 941 | E | 75.3 | Confident | 82.7 | Confident | 132 Ų | 132 | 53.2 Ų | 53.2 | 62% | 0.617 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -69.2 | -55 | 175.2 | -66.1 | 175.3 | -173.7 | 0 | 0 | 110 | S939 A943 T944 E945 | S939-E941 VanDerWaalsContact C-N 3.25Å; S939-E941 PolarHBondContact O-N 3.4Å; E941-A943 PolarHBondContact O-N 3.44Å; E941-T944 PolarHBondContact O-N 3.01Å; E941-E945 PolarHBondContact O-N 3.06Å |
| 942 | E | 78.6 | Confident | 83.2 | Confident | 76 Ų | 76 | 53 Ų | 53 | 36% | 0.355 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -54.1 | -37.6 | 172.6 | -75.8 | 169.5 | -86.8 | 0 | 0 | 113 | C938 S939 T944 G946 R972 | C938-E942 HydrophobicContact CB-CB 3.92Å; C938-E942 HydrophobicContact CB-CG 4.46Å; C938-E942 WeakPolarHBondContact CB-OE2 3.43Å; S939-E942 WeakPolarHBondContact CB-OE1 3.39Å; S939-E942 PolarHBondContact N-OE1 2.98Å; S939-E942 WeakPolarHBondContact OG-CB 3.31Å; S939-E942 VanDerWaalsContact OG-CG 3.27Å; S939-E942 WeakPolarHBondContact OG-CG 3.33Å; S939-E942 PolarHBondContact OG-N 3.03Å; S939-E942 PolarHBondContact OG-OE1 2.88Å; E942-T944 VanDerWaalsContact C-N 3.34Å; E942-G946 PolarHBondContact O-N 3.31Å; E942-R972 IonicContact OE2-CZ 2.79Å; E942-R972 IonicContact OE2-NH1 3.83Å; E942-R972 IonicContact OE2-NH2 3.04Å; E942-R972 PolarHBondContact OE2-NH2 3.42Å |
| 943 | A | 81.4 | Confident | 83.5 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.9 | -31.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L932 A933 S939 E941 L947 | L932-A943 HydrophobicContact CB-CB 4.47Å; A933-A943 HydrophobicContact CB-CB 3.55Å; S939-A943 WeakPolarHBondContact O-CB 3.27Å; S939-A943 PolarHBondContact O-N 3.3Å; E941-A943 PolarHBondContact O-N 3.44Å; A943-L947 VanDerWaalsContact O-CB 3.31Å; A943-L947 WeakPolarHBondContact O-CB 3.4Å; A943-L947 PolarHBondContact O-N 3.06Å |
| 944 | T | 83 | Confident | 83.9 | Confident | 66 Ų | 66 | 53.4 Ų | 53.4 | 41% | 0.405 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -76.6 | -41.8 | 176.8 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | A940 E941 E942 L947 M948 | A940-T944 WeakPolarHBondContact O-CB 3.49Å; A940-T944 PolarHBondContact O-N 2.69Å; A940-T944 VanDerWaalsContact O-N 3.11Å; A940-T944 PolarHBondContact O-OG1 3.4Å; E941-T944 PolarHBondContact O-N 3.01Å; E942-T944 VanDerWaalsContact C-N 3.34Å; T944-L947 WeakPolarHBondContact O-CB 3.49Å; T944-L947 PolarHBondContact O-N 3.41Å; T944-M948 WeakPolarHBondContact O-CG 3.33Å; T944-M948 PolarHBondContact O-N 2.91Å |
| 945 | E | 82 | Confident | 84.4 | Confident | 121 Ų | 121 | 46.9 Ų | 46.9 | 57% | 0.565 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.8 | -46.4 | 171.6 | -170.1 | -164.5 | 151.5 | 0 | 0 | 111.4 | E941 L947 M948 N949 | E941-E945 PolarHBondContact O-N 3.06Å; E945-L947 VanDerWaalsContact C-N 3.31Å; E945-L947 PolarHBondContact O-N 3.34Å; E945-M948 PolarHBondContact O-N 3.45Å; E945-M948 VanDerWaalsContact O-N 3.16Å; E945-N949 PolarHBondContact O-N 3.33Å; E945-N949 PolarHBondContact O-ND2 3.19Å |
| 946 | G | 83.7 | Confident | 84.9 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | E942 N949 L950 | E942-G946 PolarHBondContact O-N 3.31Å; G946-N949 PolarHBondContact O-N 3.47Å; G946-L950 WeakPolarHBondContact O-CG 3.27Å; G946-L950 PolarHBondContact O-N 3.47Å |
| 947 | L | 86.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -48.7 | 172 | -176.7 | 65.4 | 0 | 0 | 0 | 111.2 | L894 I925 M928 A929 L932 A943 T944 E945 N949 L950 M955 L958 | L894-L947 HydrophobicContact CD2-CD2 4.3Å; I925-L947 HydrophobicContact CG2-CD2 4.17Å; M928-L947 HydrophobicContact CB-CD1 4.17Å; M928-L947 HydrophobicContact CB-CD2 4.47Å; M928-L947 HydrophobicContact CE-CD1 4.33Å; A929-L947 HydrophobicContact CB-CD2 4.02Å; L932-L947 HydrophobicContact CD1-CB 3.83Å; L932-L947 HydrophobicContact CD1-CD1 3.74Å; L932-L947 HydrophobicContact CD1-CG 4.37Å; A943-L947 VanDerWaalsContact O-CB 3.31Å; A943-L947 WeakPolarHBondContact O-CB 3.4Å; A943-L947 PolarHBondContact O-N 3.06Å; T944-L947 WeakPolarHBondContact O-CB 3.49Å; T944-L947 PolarHBondContact O-N 3.41Å; E945-L947 VanDerWaalsContact C-N 3.31Å; E945-L947 PolarHBondContact O-N 3.34Å; L947-N949 PolarHBondContact O-N 3.49Å; L947-L950 HydrophobicContact CD1-CD1 4.1Å; L947-L950 PolarHBondContact O-N 2.77Å; L947-M955 HydrophobicContact CD1-CE 3.81Å; L947-M955 HydrophobicContact CD1-SD 3.55Å; L947-M955 VanDerWaalsContact CD1-SD 3.55Å; L947-M955 HydrophobicContact CG-CE 4.05Å; L947-M955 HydrophobicContact CG-SD 4.33Å; L947-M955 WeakPolarHBondContact O-CE 3.45Å; L947-L958 HydrophobicContact CD1-CD2 3.93Å |
| 948 | M | 86.5 | Confident | 85.9 | Confident | 26 Ų | 26 | 35.6 Ų | 35.6 | 13% | 0.128 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.7 | -23.5 | 178.9 | -70.9 | -64.3 | -173.2 | 0 | 0 | 113.5 | G825 R828 N890 I891 L894 T944 E945 | G825-M948 WeakPolarHBondContact CA-O 3.4Å; G825-M948 PolarHBondContact N-O 3.5Å; R828-M948 PolarHBondContact NH1-O 2.84Å; N890-M948 HydrophobicContact CB-CE 3.75Å; N890-M948 HydrophobicContact CB-SD 4.08Å; I891-M948 HydrophobicContact CG1-CE 4.02Å; L894-M948 HydrophobicContact CB-SD 4.44Å; L894-M948 HydrophobicContact CD2-CE 3.94Å; L894-M948 HydrophobicContact CD2-SD 3.96Å; T944-M948 WeakPolarHBondContact O-CG 3.33Å; T944-M948 PolarHBondContact O-N 2.91Å; E945-M948 PolarHBondContact O-N 3.45Å; E945-M948 VanDerWaalsContact O-N 3.16Å |
| 949 | N | 88.6 | Confident | 86.3 | Confident | 35 Ų | 35 | 34.5 Ų | 34.5 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 2.1 | 176.7 | -78.7 | -47.1 | 0 | 0 | 0 | 115 | G825 E945 G946 L947 | G825-N949 VanDerWaalsContact CA-OD1 3.3Å; G825-N949 WeakPolarHBondContact CA-OD1 3.42Å; G825-N949 PolarHBondContact N-OD1 2.96Å; E945-N949 PolarHBondContact O-N 3.33Å; E945-N949 PolarHBondContact O-ND2 3.19Å; G946-N949 PolarHBondContact O-N 3.47Å; L947-N949 PolarHBondContact O-N 3.49Å |
| 950 | L | 90.4 | Very high | 86.7 | Confident | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -67 | 141.8 | 171.8 | -65.3 | -173.9 | 0 | 0 | 0 | 111.9 | R828 L932 G946 L947 A954 M955 L958 I985 | R828-L950 PolarHBondContact NH1-O 2.75Å; R828-L950 PolarHBondContact NH2-O 2.76Å; L932-L950 HydrophobicContact CD1-CD1 4.4Å; G946-L950 WeakPolarHBondContact O-CG 3.27Å; G946-L950 PolarHBondContact O-N 3.47Å; L947-L950 HydrophobicContact CD1-CD1 4.1Å; L947-L950 PolarHBondContact O-N 2.77Å; L950-A954 HydrophobicContact CB-CB 4.18Å; L950-A954 HydrophobicContact CD2-CB 4.36Å; L950-M955 HydrophobicContact CB-CB 4.36Å; L950-M955 HydrophobicContact CB-CE 4.26Å; L950-M955 HydrophobicContact CD1-SD 4.45Å; L950-L958 HydrophobicContact CD1-CD2 3.95Å; L950-I985 HydrophobicContact CD2-CB 3.72Å; L950-I985 HydrophobicContact CD2-CD1 3.96Å; L950-I985 HydrophobicContact CD2-CG1 4.36Å; L950-I985 HydrophobicContact CD2-CG2 4.01Å |
| 951 | S | 91.5 | Very high | 87.3 | Confident | 26 Ų | 26 | 31.2 Ų | 31.2 | 18% | 0.182 | 17% | 0.165 | C | C | . | . | trans | -61.8 | 155.6 | 168.2 | 73.3 | 0 | 0 | 0 | 0 | 111.6 | D535 S953 A954 M955 | D535-S951 WeakPolarHBondContact OD2-CB 3.4Å; D535-S951 PolarHBondContact OD2-OG 2.79Å; S951-S953 VanDerWaalsContact C-N 3.26Å; S951-S953 PolarHBondContact O-N 2.79Å; S951-S953 PolarHBondContact OG-OG 3.05Å; S951-S953 VanDerWaalsContact OG-OG 3.14Å; S951-A954 PolarHBondContact O-N 2.84Å; S951-A954 WeakPolarHBondContact OG-CB 3.34Å; S951-A954 PolarHBondContact OG-N 3.45Å; S951-A954 VanDerWaalsContact OG-N 3.15Å; S951-M955 WeakPolarHBondContact O-CB 3.48Å; S951-M955 PolarHBondContact O-N 3.22Å | ||
| 952 | P | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -46.2 | -46 | 172.4 | -33.4 | 37.7 | 0 | 0 | 0 | 114.1 | Y531 L532 D535 M538 W824 Y901 K956 | Y531-P952 HydrophobicContact CD2-CG 4.45Å; L532-P952 HydrophobicContact CD2-CB 3.73Å; L532-P952 HydrophobicContact CD2-CG 3.99Å; D535-P952 HydrophobicContact CB-CB 4.21Å; D535-P952 HydrophobicContact CB-CG 4.06Å; M538-P952 HydrophobicContact CB-CB 4.19Å; M538-P952 HydrophobicContact CG-CB 4.09Å; M538-P952 HydrophobicContact SD-CB 4.48Å; W824-P952 VanDerWaalsContact CE3-CD 3.5Å; W824-P952 HydrophobicContact CE3-CG 4.15Å; W824-P952 HydrophobicContact CH2-CG 4.49Å; W824-P952 HydrophobicContact CZ3-CG 3.95Å; Y901-P952 WeakPolarHBondContact OH-CA 3.34Å; Y901-P952 WeakPolarHBondContact OH-CB 3.42Å; P952-K956 VanDerWaalsContact O-CB 3.22Å; P952-K956 WeakPolarHBondContact O-CB 3.33Å; P952-K956 PolarHBondContact O-N 3.14Å |
| 953 | S | 91.3 | Very high | 88.2 | Confident | 10 Ų | 10 | 21.4 Ų | 21.4 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68 | -39.1 | 177.5 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | D535 S951 K956 N957 | D535-S953 PolarHBondContact OD1-OG 3.45Å; D535-S953 WeakPolarHBondContact OD2-CB 3.43Å; D535-S953 PolarHBondContact OD2-N 3.49Å; D535-S953 PolarHBondContact OD2-OG 2.92Å; S951-S953 VanDerWaalsContact C-N 3.26Å; S951-S953 PolarHBondContact O-N 2.79Å; S951-S953 PolarHBondContact OG-OG 3.05Å; S951-S953 VanDerWaalsContact OG-OG 3.14Å; S953-K956 PolarHBondContact O-N 2.77Å; S953-N957 WeakPolarHBondContact O-CB 3.25Å; S953-N957 PolarHBondContact O-N 3.48Å; S953-N957 PolarHBondContact O-ND2 2.93Å; S953-N957 VanDerWaalsContact O-ND2 3.08Å |
| 954 | A | 90.4 | Very high | 88.3 | Confident | 18 Ų | 18 | 23 Ų | 23 | 15% | 0.149 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L950 S951 N957 L958 | L950-A954 HydrophobicContact CB-CB 4.18Å; L950-A954 HydrophobicContact CD2-CB 4.36Å; S951-A954 PolarHBondContact O-N 2.84Å; S951-A954 WeakPolarHBondContact OG-CB 3.34Å; S951-A954 PolarHBondContact OG-N 3.45Å; S951-A954 VanDerWaalsContact OG-N 3.15Å; A954-N957 PolarHBondContact O-N 2.88Å; A954-L958 PolarHBondContact O-N 3.26Å |
| 955 | M | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.2 | -48.6 | 173.5 | -176 | 69.5 | 75 | 0 | 0 | 111.4 | L894 I898 Y901 M928 L947 L950 S951 N957 L958 L959 | L894-M955 HydrophobicContact CD1-CE 3.43Å; L894-M955 VanDerWaalsContact CD1-CE 3.43Å; L894-M955 HydrophobicContact CD1-CG 4.38Å; L894-M955 HydrophobicContact CD1-SD 3.9Å; I898-M955 HydrophobicContact CD1-CG 4Å; I898-M955 HydrophobicContact CD1-SD 4.12Å; Y901-M955 HydrophobicContact CD2-CG 4.28Å; Y901-M955 HydrophobicContact CE2-CB 4.12Å; Y901-M955 HydrophobicContact CE2-CG 3.72Å; M928-M955 HydrophobicContact CE-CG 4.3Å; M928-M955 HydrophobicContact CE-SD 3.51Å; M928-M955 VanDerWaalsContact CE-SD 3.51Å; L947-M955 HydrophobicContact CD1-CE 3.81Å; L947-M955 HydrophobicContact CD1-SD 3.55Å; L947-M955 VanDerWaalsContact CD1-SD 3.55Å; L947-M955 HydrophobicContact CG-CE 4.05Å; L947-M955 HydrophobicContact CG-SD 4.33Å; L947-M955 WeakPolarHBondContact O-CE 3.45Å; L950-M955 HydrophobicContact CB-CB 4.36Å; L950-M955 HydrophobicContact CB-CE 4.26Å; L950-M955 HydrophobicContact CD1-SD 4.45Å; S951-M955 WeakPolarHBondContact O-CB 3.48Å; S951-M955 PolarHBondContact O-N 3.22Å; M955-N957 PolarHBondContact O-N 2.98Å; M955-L958 PolarHBondContact O-N 3.07Å; M955-L959 PolarHBondContact O-N 3.13Å |
| 956 | K | 91.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.3 | -39.6 | 177.6 | -177.8 | 172.2 | 178.5 | -62.5 | 0 | 112.1 | M538 E541 Y901 M904 Y905 P952 S953 L959 H960 | M538-K956 HydrophobicContact CE-CD 4.1Å; M538-K956 HydrophobicContact SD-CD 3.88Å; E541-K956 HydrophobicContact CG-CD 4.33Å; E541-K956 IonicContact OE1-NZ 2.82Å; E541-K956 PolarHBondContact OE1-NZ 3.46Å; Y901-K956 HydrophobicContact CD1-CB 4.2Å; Y901-K956 HydrophobicContact CD1-CD 3.94Å; Y901-K956 HydrophobicContact CD1-CG 4.21Å; Y901-K956 HydrophobicContact CD2-CB 4.08Å; Y901-K956 HydrophobicContact CE1-CB 4.45Å; Y901-K956 HydrophobicContact CE1-CD 4.48Å; Y901-K956 HydrophobicContact CE2-CB 4.36Å; Y901-K956 HydrophobicContact CG-CB 4.03Å; Y901-K956 HydrophobicContact CG-CD 4.32Å; Y901-K956 HydrophobicContact CG-CG 4.1Å; M904-K956 HydrophobicContact CE-CD 4.5Å; M904-K956 HydrophobicContact SD-CD 4.17Å; Y905-K956 HydrophobicContact CE2-CD 4.47Å; Y905-K956 HydrophobicContact CE2-CG 3.61Å; Y905-K956 WeakPolarHBondContact CE2-O 3.43Å; Y905-K956 VanDerWaalsContact CZ-NZ 3.29Å; Y905-K956 WeakPolarHBondContact OH-CG 3.44Å; Y905-K956 PolarHBondContact OH-NZ 3.34Å; Y905-K956 PolarHBondContact OH-O 3.03Å; P952-K956 VanDerWaalsContact O-CB 3.22Å; P952-K956 WeakPolarHBondContact O-CB 3.33Å; P952-K956 PolarHBondContact O-N 3.14Å; S953-K956 PolarHBondContact O-N 2.77Å; K956-L959 PolarHBondContact O-N 3.23Å; K956-H960 PolarHBondContact O-N 2.92Å; K956-H960 VanDerWaalsContact O-N 3.1Å |
| 957 | N | 89.4 | Confident | 86.4 | Confident | 60 Ų | 60 | 21.3 Ų | 21.3 | 32% | 0.321 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 174.9 | -71.3 | -27.9 | 0 | 0 | 0 | 112.4 | S953 A954 M955 L959 H960 H961 | S953-N957 WeakPolarHBondContact O-CB 3.25Å; S953-N957 PolarHBondContact O-N 3.48Å; S953-N957 PolarHBondContact O-ND2 2.93Å; S953-N957 VanDerWaalsContact O-ND2 3.08Å; A954-N957 PolarHBondContact O-N 2.88Å; M955-N957 PolarHBondContact O-N 2.98Å; N957-L959 VanDerWaalsContact C-N 3.32Å; N957-L959 PolarHBondContact O-N 3.49Å; N957-H960 WeakPolarHBondContact O-CB 3.49Å; N957-H960 PolarHBondContact O-N 2.96Å; N957-H961 PolarHBondContact O-CD2 3.17Å; N957-H961 PolarHBondContact O-N 3.05Å |
| 958 | L | 90.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.4 | -47.4 | 174.7 | -179.9 | 58.4 | 0 | 0 | 0 | 110.9 | M928 L932 L947 L950 A954 M955 H960 H961 I962 F968 I987 | M928-L958 HydrophobicContact CB-CD2 3.97Å; M928-L958 HydrophobicContact CB-CG 4.41Å; M928-L958 HydrophobicContact CE-CB 4.07Å; M928-L958 HydrophobicContact CE-CD2 3.87Å; M928-L958 HydrophobicContact CE-CG 3.91Å; M928-L958 HydrophobicContact CG-CD2 4.29Å; M928-L958 HydrophobicContact CG-CG 4.23Å; L932-L958 HydrophobicContact CD1-CD2 3.78Å; L932-L958 HydrophobicContact CD2-CD2 4.13Å; L932-L958 HydrophobicContact CG-CD2 3.84Å; L947-L958 HydrophobicContact CD1-CD2 3.93Å; L950-L958 HydrophobicContact CD1-CD2 3.95Å; A954-L958 PolarHBondContact O-N 3.26Å; M955-L958 PolarHBondContact O-N 3.07Å; L958-H960 VanDerWaalsContact C-N 3.33Å; L958-H960 PolarHBondContact O-N 3.16Å; L958-H961 PolarHBondContact O-N 2.97Å; L958-H961 VanDerWaalsContact O-N 3.1Å; L958-I962 WeakPolarHBondContact O-CG1 3.44Å; L958-I962 PolarHBondContact O-N 2.98Å; L958-F968 HydrophobicContact CD1-CE2 3.72Å; L958-F968 HydrophobicContact CD1-CZ 3.86Å; L958-I987 HydrophobicContact CB-CD1 3.74Å; L958-I987 HydrophobicContact CD1-CD1 4.18Å; L958-I987 HydrophobicContact CG-CD1 4.39Å |
| 959 | L | 92.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.5 | -43.3 | 176.6 | 178.5 | 63.8 | 0 | 0 | 0 | 112.2 | I898 L902 Y905 I924 M928 M955 K956 N957 H961 I962 L963 | I898-L959 HydrophobicContact CD1-CD2 4.45Å; I898-L959 HydrophobicContact CG2-CD2 4.39Å; L902-L959 HydrophobicContact CD2-CD1 4.21Å; L902-L959 HydrophobicContact CD2-CD2 4.13Å; L902-L959 HydrophobicContact CG-CD2 4.13Å; Y905-L959 HydrophobicContact CD2-CD2 4.36Å; I924-L959 HydrophobicContact CG2-CD1 3.51Å; M928-L959 HydrophobicContact CE-CB 4.01Å; M928-L959 HydrophobicContact SD-CB 4.21Å; M928-L959 HydrophobicContact SD-CD1 3.98Å; M955-L959 PolarHBondContact O-N 3.13Å; K956-L959 PolarHBondContact O-N 3.23Å; N957-L959 VanDerWaalsContact C-N 3.32Å; N957-L959 PolarHBondContact O-N 3.49Å; L959-H961 PolarHBondContact O-N 2.87Å; L959-I962 PolarHBondContact O-N 2.93Å; L959-L963 HydrophobicContact CD1-CD1 4.13Å; L959-L963 HydrophobicContact CD1-CG 4.16Å; L959-L963 HydrophobicContact CG-CD1 3.96Å; L959-L963 HydrophobicContact CG-CG 4.41Å; L959-L963 WeakPolarHBondContact O-CB 3.49Å; L959-L963 VanDerWaalsContact O-CG 3.31Å; L959-L963 WeakPolarHBondContact O-CG 3.32Å; L959-L963 PolarHBondContact O-N 3.46Å |
| 960 | H | 90.6 | Very high | 83.3 | Confident | 40 Ų | 40 | 20.3 Ų | 20.3 | 19% | 0.185 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.2 | -42.1 | 174.2 | 168 | -93.5 | 0 | 0 | 0 | 112.6 | Y905 K956 N957 L958 L963 S964 | Y905-H960 HydrophobicContact CE1-CB 4.01Å; Y905-H960 AromaticContact CE1-CD2 3.99Å; Y905-H960 HydrophobicContact CE2-CB 4.07Å; Y905-H960 WeakPolarHBondContact OH-CB 3.46Å; K956-H960 PolarHBondContact O-N 2.92Å; K956-H960 VanDerWaalsContact O-N 3.1Å; N957-H960 WeakPolarHBondContact O-CB 3.49Å; N957-H960 PolarHBondContact O-N 2.96Å; L958-H960 VanDerWaalsContact C-N 3.33Å; L958-H960 PolarHBondContact O-N 3.16Å; H960-L963 PolarHBondContact O-N 3.39Å; H960-S964 VanDerWaalsContact O-CB 3.23Å; H960-S964 WeakPolarHBondContact O-CB 3.49Å; H960-S964 PolarHBondContact O-N 3.34Å; H960-S964 PolarHBondContact O-OG 2.86Å |
| 961 | H | 86 | Confident | 82 | Confident | 19 Ų | 19 | 26.2 Ų | 26.2 | 9% | 0.088 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 176.8 | -73.6 | -70.5 | 0 | 0 | 0 | 111.6 | N957 L958 L959 L963 S964 G965 F968 | N957-H961 PolarHBondContact O-CD2 3.17Å; N957-H961 PolarHBondContact O-N 3.05Å; L958-H961 PolarHBondContact O-N 2.97Å; L958-H961 VanDerWaalsContact O-N 3.1Å; L959-H961 PolarHBondContact O-N 2.87Å; H961-L963 PolarHBondContact O-N 3.43Å; H961-S964 PolarHBondContact O-N 2.99Å; H961-S964 PolarHBondContact O-OG 3.29Å; H961-G965 PolarHBondContact O-N 2.89Å; H961-G965 VanDerWaalsContact O-N 3.11Å; H961-F968 HydrophobicContact CB-CB 4.37Å; H961-F968 HydrophobicContact CB-CD1 3.55Å; H961-F968 HydrophobicContact CB-CE1 3.83Å; H961-F968 HydrophobicContact CB-CG 3.91Å; H961-F968 HydrophobicContact CB-CZ 4.43Å |
| 962 | I | 86.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.6 | -51.1 | 173.9 | -63.1 | -51.3 | 0 | 0 | 0 | 111.7 | V927 M928 E931 L958 L959 S964 G965 F968 L1078 | V927-I962 HydrophobicContact CG1-CD1 3.94Å; V927-I962 HydrophobicContact CG1-CG1 4.31Å; V927-I962 HydrophobicContact CG1-CG2 3.72Å; M928-I962 HydrophobicContact CG-CG1 3.88Å; E931-I962 HydrophobicContact CB-CD1 4.04Å; E931-I962 HydrophobicContact CG-CD1 3.75Å; L958-I962 WeakPolarHBondContact O-CG1 3.44Å; L958-I962 PolarHBondContact O-N 2.98Å; L959-I962 PolarHBondContact O-N 2.93Å; I962-S964 PolarHBondContact O-N 3.37Å; I962-G965 PolarHBondContact O-N 3.46Å; I962-F968 HydrophobicContact CD1-CE1 4.06Å; I962-F968 HydrophobicContact CD1-CZ 3.95Å; I962-L1078 HydrophobicContact CD1-CD2 4.31Å; I962-L1078 HydrophobicContact CG2-CD2 4.29Å |
| 963 | L | 87 | Confident | 78.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 179.8 | -69.1 | 173.2 | 0 | 0 | 0 | 112 | L902 L912 F913 M916 L959 H960 H961 G965 L1082 R1084 | L902-L963 HydrophobicContact CD2-CD1 4.09Å; L902-L963 HydrophobicContact CD2-CD2 4.47Å; L912-L963 HydrophobicContact CB-CB 4.39Å; F913-L963 HydrophobicContact CE1-CD1 4.14Å; F913-L963 HydrophobicContact CE1-CD2 4.27Å; F913-L963 HydrophobicContact CZ-CD1 3.87Å; M916-L963 HydrophobicContact CE-CD2 3.89Å; M916-L963 HydrophobicContact SD-CD2 4.42Å; L959-L963 HydrophobicContact CD1-CD1 4.13Å; L959-L963 HydrophobicContact CD1-CG 4.16Å; L959-L963 HydrophobicContact CG-CD1 3.96Å; L959-L963 HydrophobicContact CG-CG 4.41Å; L959-L963 WeakPolarHBondContact O-CB 3.49Å; L959-L963 VanDerWaalsContact O-CG 3.31Å; L959-L963 WeakPolarHBondContact O-CG 3.32Å; L959-L963 PolarHBondContact O-N 3.46Å; H960-L963 PolarHBondContact O-N 3.39Å; H961-L963 PolarHBondContact O-N 3.43Å; L963-G965 PolarHBondContact O-N 3.16Å; L963-L1082 HydrophobicContact CD2-CD2 3.98Å; L963-R1084 PolarHBondContact O-NH1 2.7Å; L963-R1084 PolarHBondContact O-NH2 3.42Å |
| 964 | S | 83.6 | Confident | 76.3 | Confident | 33 Ų | 33 | 38 Ų | 38 | 23% | 0.231 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -26.4 | 179.1 | 75.3 | 0 | 0 | 0 | 0 | 113.1 | H960 H961 I962 K966 | H960-S964 VanDerWaalsContact O-CB 3.23Å; H960-S964 WeakPolarHBondContact O-CB 3.49Å; H960-S964 PolarHBondContact O-N 3.34Å; H960-S964 PolarHBondContact O-OG 2.86Å; H961-S964 PolarHBondContact O-N 2.99Å; H961-S964 PolarHBondContact O-OG 3.29Å; I962-S964 PolarHBondContact O-N 3.37Å; S964-K966 PolarHBondContact O-N 3.43Å; S964-K966 WeakPolarHBondContact OG-CB 3.35Å; S964-K966 PolarHBondContact OG-N 2.77Å |
| 965 | G | 72 | Confident | 73.8 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 19 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | H961 I962 L963 | H961-G965 PolarHBondContact O-N 2.89Å; H961-G965 VanDerWaalsContact O-N 3.11Å; I962-G965 PolarHBondContact O-N 3.46Å; L963-G965 PolarHBondContact O-N 3.16Å |
| 966 | K | 69.6 | Low | 70.9 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 34% | 0.339 | 27% | 0.266 | S | S | . | . | trans | -74.8 | 163.6 | 169.4 | -70.5 | -179.4 | 170.6 | -172.8 | 0 | 111 | S964 E989 | S964-K966 PolarHBondContact O-N 3.43Å; S964-K966 WeakPolarHBondContact OG-CB 3.35Å; S964-K966 PolarHBondContact OG-N 2.77Å; K966-E989 WeakPolarHBondContact CD-OE1 3.43Å; K966-E989 WeakPolarHBondContact CE-OE1 3.12Å; K966-E989 IonicContact NZ-OE1 3.39Å; K966-E989 PolarHBondContact NZ-OE1 3.21Å; K966-E989 IonicContact NZ-OE2 3.33Å | ||
| 967 | E | 66.4 | Low | 68 | Low | 79 Ų | 79 | 56.8 Ų | 56.8 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | trans | -85.2 | 146.5 | 167.2 | -64.7 | -178.9 | 176.9 | 0 | 0 | 110.2 | Q1071 | E967-Q1071 PolarHBondContact OE1-NE2 2.85Š| ||
| 968 | F | 67.9 | Low | 65.3 | Low | 12 Ų | 12 | 59.3 Ų | 59.3 | 5% | 0.053 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 151.6 | -176.1 | 61.4 | -86.3 | 0 | 0 | 0 | 109.9 | E931 L958 H961 I962 V970 I987 H988 | E931-F968 HydrophobicContact CB-CZ 4.26Å; L958-F968 HydrophobicContact CD1-CE2 3.72Å; L958-F968 HydrophobicContact CD1-CZ 3.86Å; H961-F968 HydrophobicContact CB-CB 4.37Å; H961-F968 HydrophobicContact CB-CD1 3.55Å; H961-F968 HydrophobicContact CB-CE1 3.83Å; H961-F968 HydrophobicContact CB-CG 3.91Å; H961-F968 HydrophobicContact CB-CZ 4.43Å; I962-F968 HydrophobicContact CD1-CE1 4.06Å; I962-F968 HydrophobicContact CD1-CZ 3.95Å; F968-V970 HydrophobicContact CD2-CG2 3.79Å; F968-V970 HydrophobicContact CE2-CG2 3.73Å; F968-I987 HydrophobicContact CD2-CG2 4.07Å; F968-H988 WeakPolarHBondContact CA-O 3.46Å |
| 969 | G | 60.3 | Low | 62.6 | Low | 18 Ų | 18 | 64.2 Ų | 64.2 | 19% | 0.186 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 150.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I987 H988 | G969-I987 WeakPolarHBondContact O-CA 3.42Å; G969-H988 PolarHBondContact N-O 3.3Å; G969-H988 PolarHBondContact O-N 3.15Å |
| 970 | V | 67.6 | Low | 59.9 | Low | 13 Ų | 13 | 71.6 Ų | 71.6 | 8% | 0.079 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 127 | 174.1 | -169.1 | 0 | 0 | 0 | 0 | 108.1 | L932 L936 F968 I985 S986 I987 | L932-V970 HydrophobicContact CD2-CG1 3.97Å; L932-V970 HydrophobicContact CD2-CG2 4.44Å; L936-V970 HydrophobicContact CD2-CB 4.17Å; L936-V970 HydrophobicContact CD2-CG1 3.69Å; L936-V970 HydrophobicContact CG-CG1 4.06Å; F968-V970 HydrophobicContact CD2-CG2 3.79Å; F968-V970 HydrophobicContact CE2-CG2 3.73Å; V970-I985 HydrophobicContact CG1-CG2 3.34Å; V970-S986 VanDerWaalsContact CA-O 3.31Å; V970-S986 WeakPolarHBondContact CA-O 3.41Å; V970-I987 HydrophobicContact CG1-CG1 4.27Å; V970-I987 HydrophobicContact CG2-CG1 4.42Å |
| 971 | E | 64.5 | Low | 57.6 | Low | 130 Ų | 130 | 74.9 Ų | 74.9 | 61% | 0.607 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 141 | -177.9 | -65.5 | -178.3 | -171.4 | 0 | 0 | 110.5 | S973 S986 | E971-S973 PolarHBondContact O-N 3.06Å; E971-S986 PolarHBondContact N-O 2.87Å; E971-S986 PolarHBondContact O-N 3Å; E971-S986 PolarHBondContact O-OG 2.63Å; E971-S986 VanDerWaalsContact O-OG 3.12Å |
| 972 | R | 63.1 | Low | 55.5 | Low | 113 Ų | 113 | 76.1 Ų | 76.1 | 43% | 0.426 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 105.4 | 170.2 | -76.4 | -179.5 | 179.4 | 175.4 | 0.5 | 108 | L936 E942 V974 | L936-R972 HydrophobicContact CD2-CG 4.03Å; E942-R972 IonicContact OE2-CZ 2.79Å; E942-R972 IonicContact OE2-NH1 3.83Å; E942-R972 IonicContact OE2-NH2 3.04Å; E942-R972 PolarHBondContact OE2-NH2 3.42Å; R972-V974 PolarHBondContact O-N 3.06Å; R972-V974 VanDerWaalsContact O-N 3.12Å |
| 973 | S | 50.7 | Low | 53.5 | Low | 50 Ų | 50 | 79.5 Ų | 79.5 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 97.5 | 175.8 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | E971 R975 A984 | E971-S973 PolarHBondContact O-N 3.06Å; S973-R975 PolarHBondContact O-N 3.37Å; S973-R975 VanDerWaalsContact O-N 3.14Å; S973-A984 WeakPolarHBondContact CA-O 3.33Å; S973-A984 WeakPolarHBondContact CB-O 3.39Å; S973-A984 PolarHBondContact N-O 2.91Å |
| 974 | V | 41.3 | Very low | 52 | Low | 121 Ų | 121 | 82 Ų | 82 | 73% | 0.733 | 46% | 0.461 | S | S | * | . | trans | -77 | 94.4 | 169.9 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | R972 | R972-V974 PolarHBondContact O-N 3.06Å; R972-V974 VanDerWaalsContact O-N 3.12Å | ||
| 975 | R | 37.2 | Very low | 51.1 | Low | 176 Ų | 176 | 81.9 Ų | 81.9 | 66% | 0.664 | 46% | 0.458 | S | S | * | . | trans | -73.6 | 131.1 | 164.8 | -73.3 | -170.3 | 178 | -173.4 | 1.9 | 108.8 | S973 T977 | S973-R975 PolarHBondContact O-N 3.37Å; S973-R975 VanDerWaalsContact O-N 3.14Å; R975-T977 VanDerWaalsContact C-N 3.33Å; R975-T977 PolarHBondContact O-N 2.66Å | ||
| 976 | P | 31.4 | Very low | 50.8 | Low | 128 Ų | 128 | 82.8 Ų | 82.8 | 83% | 0.831 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -81.1 | 10.1 | -165.9 | -17.9 | 34.1 | 0 | 0 | 0 | 117.7 | ||
| 977 | T | 30.8 | Very low | 50.8 | Low | 110 Ų | 110 | 80.4 Ų | 80.4 | 68% | 0.675 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -113.1 | -27.6 | -160.8 | 48.3 | 0 | 0 | 0 | 0 | 116.9 | R975 | R975-T977 VanDerWaalsContact C-N 3.33Å; R975-T977 PolarHBondContact O-N 2.66Å |
| 978 | D | 31.1 | Very low | 50.5 | Low | 113 Ų | 113 | 81.9 Ų | 81.9 | 60% | 0.604 | 46% | 0.46 | S | S | * | . | trans | -133 | 112.8 | -166.8 | -59.9 | -86.6 | 0 | 0 | 0 | 111.7 | N980 V981 | D978-N980 VanDerWaalsContact C-N 3.33Å; D978-N980 PolarHBondContact O-N 3.27Å; D978-V981 HydrophobicContact CB-CG2 4.14Å | ||
| 979 | S | 33.4 | Very low | 49.7 | Very low | 104 Ų | 104 | 86.7 Ų | 86.7 | 73% | 0.727 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -14.3 | -173.8 | 43.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 980 | N | 37.2 | Very low | 49.2 | Very low | 155 Ų | 155 | 89.9 Ų | 89.9 | 83% | 0.829 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 7.6 | -174.9 | -69 | -18.6 | 0 | 0 | 0 | 114.1 | D978 | D978-N980 VanDerWaalsContact C-N 3.33Å; D978-N980 PolarHBondContact O-N 3.27Å |
| 981 | V | 40.9 | Very low | 47.8 | Very low | 108 Ų | 108 | 92 Ų | 92 | 66% | 0.655 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -110.9 | 127 | -177.9 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | D978 | D978-V981 HydrophobicContact CB-CG2 4.14Š|
| 982 | S | 41.7 | Very low | 46.3 | Very low | 46 Ų | 46 | 90.4 Ų | 90.4 | 32% | 0.322 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 139.6 | 176.4 | -46.8 | 0 | 0 | 0 | 0 | 111.3 | A984 | S982-A984 PolarHBondContact O-N 3.41Å; S982-A984 VanDerWaalsContact O-N 3.09Å |
| 983 | P | 46.4 | Very low | 44.8 | Very low | 73 Ų | 73 | 90.8 Ų | 90.8 | 47% | 0.474 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -62 | 116.4 | -171.5 | 24.1 | -34.3 | 0 | 0 | 0 | 111.6 | I985 | P983-I985 PolarHBondContact O-N 3.41Š|
| 984 | A | 54.3 | Low | 44.1 | Very low | 52 Ų | 52 | 90.9 Ų | 90.9 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -61.3 | 120.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S973 S982 S986 | S973-A984 WeakPolarHBondContact CA-O 3.33Å; S973-A984 WeakPolarHBondContact CB-O 3.39Å; S973-A984 PolarHBondContact N-O 2.91Å; S982-A984 PolarHBondContact O-N 3.41Å; S982-A984 VanDerWaalsContact O-N 3.09Å; A984-S986 PolarHBondContact O-N 3.33Å |
| 985 | I | 65.2 | Low | 43.9 | Very low | 30 Ų | 30 | 88.6 Ų | 88.6 | 15% | 0.154 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 116.8 | 179 | -62.6 | 172.3 | 0 | 0 | 0 | 108.9 | L932 L936 L950 V970 P983 I987 | L932-I985 HydrophobicContact CD2-CG2 4.32Å; L936-I985 HydrophobicContact CD1-CD1 4Å; L936-I985 HydrophobicContact CD1-CG1 4.33Å; L950-I985 HydrophobicContact CD2-CB 3.72Å; L950-I985 HydrophobicContact CD2-CD1 3.96Å; L950-I985 HydrophobicContact CD2-CG1 4.36Å; L950-I985 HydrophobicContact CD2-CG2 4.01Å; V970-I985 HydrophobicContact CG1-CG2 3.34Å; P983-I985 PolarHBondContact O-N 3.41Å; I985-I987 HydrophobicContact CG2-CG1 4.48Å |
| 986 | S | 65.2 | Low | 44 | Very low | 29 Ų | 29 | 84.7 Ų | 84.7 | 20% | 0.203 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 140.5 | 172.8 | 57.4 | 0 | 0 | 0 | 0 | 111 | V970 E971 A984 | V970-S986 VanDerWaalsContact CA-O 3.31Å; V970-S986 WeakPolarHBondContact CA-O 3.41Å; E971-S986 PolarHBondContact N-O 2.87Å; E971-S986 PolarHBondContact O-N 3Å; E971-S986 PolarHBondContact O-OG 2.63Å; E971-S986 VanDerWaalsContact O-OG 3.12Å; A984-S986 PolarHBondContact O-N 3.33Å |
| 987 | I | 69.4 | Low | 44.3 | Very low | 29 Ų | 29 | 88.2 Ų | 88.2 | 15% | 0.149 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.4 | -179.6 | -56.9 | 173.6 | 0 | 0 | 0 | 108.4 | L958 F968 G969 V970 I985 | L958-I987 HydrophobicContact CB-CD1 3.74Å; L958-I987 HydrophobicContact CD1-CD1 4.18Å; L958-I987 HydrophobicContact CG-CD1 4.39Å; F968-I987 HydrophobicContact CD2-CG2 4.07Å; G969-I987 WeakPolarHBondContact O-CA 3.42Å; V970-I987 HydrophobicContact CG1-CG1 4.27Å; V970-I987 HydrophobicContact CG2-CG1 4.42Å; I985-I987 HydrophobicContact CG2-CG1 4.48Å |
| 988 | H | 61.2 | Low | 44.4 | Very low | 109 Ų | 109 | 87.8 Ų | 87.8 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.2 | -173.2 | -64.3 | -23.3 | 0 | 0 | 0 | 111.5 | F968 G969 I990 | F968-H988 WeakPolarHBondContact CA-O 3.46Å; G969-H988 PolarHBondContact N-O 3.3Å; G969-H988 PolarHBondContact O-N 3.15Å; H988-I990 PolarHBondContact O-N 2.93Å |
| 989 | E | 50.7 | Low | 44.9 | Very low | 113 Ų | 113 | 88.7 Ų | 88.7 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 120.8 | 175.5 | -174.1 | 169.8 | -175.9 | 0 | 0 | 110.1 | K966 | K966-E989 WeakPolarHBondContact CD-OE1 3.43Å; K966-E989 WeakPolarHBondContact CE-OE1 3.12Å; K966-E989 IonicContact NZ-OE1 3.39Å; K966-E989 PolarHBondContact NZ-OE1 3.21Å; K966-E989 IonicContact NZ-OE2 3.33Å |
| 990 | I | 49.9 | Very low | 45.4 | Very low | 86 Ų | 86 | 90 Ų | 90 | 44% | 0.441 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 127.9 | 172.3 | -65.6 | 172.2 | 0 | 0 | 0 | 107.5 | H988 | H988-I990 PolarHBondContact O-N 2.93Š|
| 991 | G | 37.4 | Very low | 45.5 | Very low | 56 Ų | 56 | 86.5 Ų | 86.5 | 58% | 0.577 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 141.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V993 | G991-V993 PolarHBondContact O-N 3.02Š|
| 992 | A | 33.1 | Very low | 45.6 | Very low | 97 Ų | 97 | 82.6 Ų | 82.6 | 80% | 0.802 | 50% | 0.496 | S | S | * | . | trans | -62.5 | 94 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G994 | A992-G994 PolarHBondContact O-N 3.37Š| ||
| 993 | V | 33.3 | Very low | 45.7 | Very low | 122 Ų | 122 | 83.4 Ų | 83.4 | 74% | 0.739 | 50% | 0.496 | S | S | * | . | trans | -95 | 74.6 | 168.9 | -173 | 0 | 0 | 0 | 0 | 109.8 | G991 | G991-V993 PolarHBondContact O-N 3.02Š| ||
| 994 | G | 34.8 | Very low | 45.5 | Very low | 52 Ų | 52 | 87 Ų | 87 | 54% | 0.536 | 51% | 0.508 | S | S | . | . | S | Bend | trans | 138.9 | 141.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A992 T996 | A992-G994 PolarHBondContact O-N 3.37Å; G994-T996 PolarHBondContact O-N 2.85Å; G994-T996 VanDerWaalsContact O-N 3.09Å |
| 995 | A | 36.5 | Very low | 44.9 | Very low | 72 Ų | 72 | 89.7 Ų | 89.7 | 60% | 0.595 | 51% | 0.512 | S | S | * | . | trans | -77.1 | 93.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K997 | A995-K997 PolarHBondContact O-N 3.41Š| ||
| 996 | T | 39.7 | Very low | 43.9 | Very low | 94 Ų | 94 | 90.7 Ų | 90.7 | 58% | 0.577 | 52% | 0.517 | S | S | * | . | trans | -90.9 | 70.2 | -179.9 | 42.3 | 0 | 0 | 0 | 0 | 113.9 | G994 | G994-T996 PolarHBondContact O-N 2.85Å; G994-T996 VanDerWaalsContact O-N 3.09Å | ||
| 997 | K | 38.4 | Very low | 42.9 | Very low | 202 Ų | 202 | 94.2 Ų | 94.2 | 88% | 0.878 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -174.3 | -13.3 | 149.7 | -108.5 | 160.9 | -173 | 179.4 | 0 | 117.5 | A995 | A995-K997 PolarHBondContact O-N 3.41Š|
| 998 | T | 33.4 | Very low | 41.9 | Very low | 101 Ų | 101 | 95.4 Ų | 95.4 | 62% | 0.62 | 54% | 0.54 | S | S | * | . | trans | -118.4 | 20.1 | -160.8 | 49.5 | 0 | 0 | 0 | 0 | 117 | T1001 | T998-T1001 PolarHBondContact O-OG1 3.12Š| ||
| 999 | E | 39.9 | Very low | 41.1 | Very low | 133 Ų | 133 | 94.5 Ų | 94.5 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | trans | -102.4 | -2.7 | -176.7 | -64.6 | -158.9 | 153.1 | 0 | 0 | 116.2 | T1001 G1002 | E999-T1001 PolarHBondContact O-N 3.09Å; E999-T1001 VanDerWaalsContact O-N 3.08Å; E999-G1002 PolarHBondContact O-N 3.12Å | ||
| 1000 | R | 44.5 | Very low | 40.9 | Very low | 130 Ų | 130 | 93.6 Ų | 93.6 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.4 | 168.2 | -72.7 | -173.3 | -180 | 147.2 | -5.5 | 113.7 | E915 G1002 I1003 | E915-R1000 IonicContact OE1-CZ 3.92Å; E915-R1000 IonicContact OE1-NH1 2.74Å; E915-R1000 PolarHBondContact OE1-NH1 3.33Å; E915-R1000 IonicContact OE1-NH2 3.86Å; E915-R1000 IonicContact OE2-CZ 3.21Å; E915-R1000 IonicContact OE2-NH1 2.73Å; E915-R1000 PolarHBondContact OE2-NH1 3.13Å; E915-R1000 IonicContact OE2-NH2 2.75Å; E915-R1000 PolarHBondContact OE2-NH2 3.3Å; R1000-G1002 PolarHBondContact O-N 3.31Å; R1000-G1002 VanDerWaalsContact O-N 3.16Å; R1000-I1003 WeakPolarHBondContact O-CB 3.48Å; R1000-I1003 PolarHBondContact O-N 3.18Å; R1000-I1003 VanDerWaalsContact O-N 3.11Å |
| 1001 | T | 39.6 | Very low | 40.4 | Very low | 83 Ų | 83 | 95.5 Ų | 95.5 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.2 | 175.8 | -35.1 | 0 | 0 | 0 | 0 | 112.9 | T998 E999 I1003 M1004 Q1005 | T998-T1001 PolarHBondContact O-OG1 3.12Å; E999-T1001 PolarHBondContact O-N 3.09Å; E999-T1001 VanDerWaalsContact O-N 3.08Å; T1001-I1003 PolarHBondContact O-N 2.88Å; T1001-I1003 VanDerWaalsContact O-N 3.13Å; T1001-M1004 PolarHBondContact O-N 3.3Å; T1001-Q1005 PolarHBondContact O-N 3.04Å |
| 1002 | G | 41.9 | Very low | 40.6 | Very low | 26 Ų | 26 | 99.2 Ų | 99.2 | 27% | 0.268 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -55.8 | -27.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | E999 R1000 Q1005 L1006 | E999-G1002 PolarHBondContact O-N 3.12Å; R1000-G1002 PolarHBondContact O-N 3.31Å; R1000-G1002 VanDerWaalsContact O-N 3.16Å; G1002-Q1005 PolarHBondContact O-N 3.41Å; G1002-L1006 WeakPolarHBondContact O-CB 3.32Å; G1002-L1006 PolarHBondContact O-N 2.62Å |
| 1003 | I | 44.5 | Very low | 40.9 | Very low | 63 Ų | 63 | 98.5 Ų | 98.5 | 32% | 0.323 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 175.3 | -61.2 | 161.2 | 0 | 0 | 0 | 111.1 | R1000 T1001 K1007 L1150 M1154 | R1000-I1003 WeakPolarHBondContact O-CB 3.48Å; R1000-I1003 PolarHBondContact O-N 3.18Å; R1000-I1003 VanDerWaalsContact O-N 3.11Å; T1001-I1003 PolarHBondContact O-N 2.88Å; T1001-I1003 VanDerWaalsContact O-N 3.13Å; I1003-K1007 WeakPolarHBondContact O-CB 3.4Å; I1003-K1007 PolarHBondContact O-N 3.28Å; I1003-L1150 HydrophobicContact CD1-CD2 3.9Å; I1003-M1154 HydrophobicContact CG2-CE 4.22Å |
| 1004 | M | 41.8 | Very low | 41.1 | Very low | 147 Ų | 147 | 98.4 Ų | 98.4 | 72% | 0.724 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.5 | -37 | 174.2 | -67.5 | -170.4 | 178.3 | 0 | 0 | 111.3 | T1001 K1007 S1008 | T1001-M1004 PolarHBondContact O-N 3.3Å; M1004-K1007 PolarHBondContact O-N 3.26Å; M1004-S1008 WeakPolarHBondContact O-CB 3.38Å; M1004-S1008 PolarHBondContact O-N 3.27Å |
| 1005 | Q | 41.4 | Very low | 41 | Very low | 110 Ų | 110 | 104.1 Ų | 104.1 | 51% | 0.514 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 176.8 | -173.3 | 171.7 | -17.7 | 0 | 0 | 111.2 | T1001 G1002 K1007 S1008 E1009 | T1001-Q1005 PolarHBondContact O-N 3.04Å; G1002-Q1005 PolarHBondContact O-N 3.41Å; Q1005-K1007 VanDerWaalsContact C-N 3.31Å; Q1005-K1007 PolarHBondContact O-N 3.15Å; Q1005-S1008 CarbonylContact O-C 3.54Å; Q1005-S1008 WeakPolarHBondContact O-CA 3.09Å; Q1005-S1008 WeakPolarHBondContact O-CB 3.45Å; Q1005-S1008 PolarHBondContact O-N 3.02Å; Q1005-S1008 PolarHBondContact O-OG 3.1Å; Q1005-E1009 HydrophobicContact CG-CG 4.44Å; Q1005-E1009 VanDerWaalsContact CG-OE1 3.29Å; Q1005-E1009 WeakPolarHBondContact CG-OE1 3.09Å; Q1005-E1009 PolarHBondContact NE2-OE1 3.14Å; Q1005-E1009 WeakPolarHBondContact O-CG 3.2Å; Q1005-E1009 PolarHBondContact O-N 3Å |
| 1006 | L | 45 | Very low | 41 | Very low | 51 Ų | 51 | 111 Ų | 111 | 27% | 0.267 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -56.7 | -43.6 | 174.9 | -160.9 | 75.8 | 0 | 0 | 0 | 111.7 | G1002 S1008 E1009 I1010 M1154 | G1002-L1006 WeakPolarHBondContact O-CB 3.32Å; G1002-L1006 PolarHBondContact O-N 2.62Å; L1006-S1008 VanDerWaalsContact C-N 3.29Å; L1006-S1008 PolarHBondContact O-N 2.92Å; L1006-E1009 PolarHBondContact O-N 3.05Å; L1006-I1010 HydrophobicContact CG-CD1 4.17Å; L1006-I1010 VanDerWaalsContact O-CG1 3.28Å; L1006-I1010 WeakPolarHBondContact O-CG1 3.36Å; L1006-I1010 PolarHBondContact O-N 3.26Å; L1006-M1154 HydrophobicContact CD2-CE 4.38Å; L1006-M1154 HydrophobicContact CD2-SD 4.47Å |
| 1007 | K | 44 | Very low | 40.8 | Very low | 102 Ų | 102 | 114.1 Ų | 114.1 | 44% | 0.443 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.6 | -30.9 | 176 | -170 | 168 | -171.8 | 169.1 | 0 | 113 | I1003 M1004 Q1005 K1011 D1157 | I1003-K1007 WeakPolarHBondContact O-CB 3.4Å; I1003-K1007 PolarHBondContact O-N 3.28Å; M1004-K1007 PolarHBondContact O-N 3.26Å; Q1005-K1007 VanDerWaalsContact C-N 3.31Å; Q1005-K1007 PolarHBondContact O-N 3.15Å; K1007-K1011 WeakPolarHBondContact O-CG 3.22Å; K1007-K1011 PolarHBondContact O-N 2.95Å; K1007-D1157 IonicContact NZ-OD2 3.33Å; K1007-D1157 PolarHBondContact NZ-OD2 3.49Å |
| 1008 | S | 48 | Very low | 40.5 | Very low | 55 Ų | 55 | 111.9 Ų | 111.9 | 39% | 0.385 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -76 | -38.7 | 174.6 | 78.6 | 0 | 0 | 0 | 0 | 112.5 | M1004 Q1005 L1006 K1011 Q1012 | M1004-S1008 WeakPolarHBondContact O-CB 3.38Å; M1004-S1008 PolarHBondContact O-N 3.27Å; Q1005-S1008 CarbonylContact O-C 3.54Å; Q1005-S1008 WeakPolarHBondContact O-CA 3.09Å; Q1005-S1008 WeakPolarHBondContact O-CB 3.45Å; Q1005-S1008 PolarHBondContact O-N 3.02Å; Q1005-S1008 PolarHBondContact O-OG 3.1Å; L1006-S1008 VanDerWaalsContact C-N 3.29Å; L1006-S1008 PolarHBondContact O-N 2.92Å; S1008-K1011 PolarHBondContact O-N 2.57Å; S1008-Q1012 WeakPolarHBondContact O-CG 3.33Å; S1008-Q1012 PolarHBondContact O-N 3.39Å |
| 1009 | E | 45.1 | Very low | 40.6 | Very low | 90 Ų | 90 | 111.3 Ų | 111.3 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 178.3 | -72.3 | 171.1 | -174.5 | 0 | 0 | 110.7 | Q1005 L1006 K1011 Q1012 V1013 | Q1005-E1009 HydrophobicContact CG-CG 4.44Å; Q1005-E1009 VanDerWaalsContact CG-OE1 3.29Å; Q1005-E1009 WeakPolarHBondContact CG-OE1 3.09Å; Q1005-E1009 PolarHBondContact NE2-OE1 3.14Å; Q1005-E1009 WeakPolarHBondContact O-CG 3.2Å; Q1005-E1009 PolarHBondContact O-N 3Å; L1006-E1009 PolarHBondContact O-N 3.05Å; E1009-K1011 PolarHBondContact O-N 2.86Å; E1009-Q1012 PolarHBondContact O-N 3.45Å; E1009-V1013 PolarHBondContact O-N 2.81Å |
| 1010 | I | 47.5 | Very low | 40.2 | Very low | 94 Ų | 94 | 111.5 Ų | 111.5 | 48% | 0.482 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 172.8 | -68.7 | 165.7 | 0 | 0 | 0 | 110.9 | L1006 Q1012 V1013 | L1006-I1010 HydrophobicContact CG-CD1 4.17Å; L1006-I1010 VanDerWaalsContact O-CG1 3.28Å; L1006-I1010 WeakPolarHBondContact O-CG1 3.36Å; L1006-I1010 PolarHBondContact O-N 3.26Å; I1010-Q1012 VanDerWaalsContact C-N 3.3Å; I1010-Q1012 PolarHBondContact O-N 3.05Å; I1010-V1013 PolarHBondContact O-N 3.11Å; I1010-V1013 VanDerWaalsContact O-N 3.13Å |
| 1011 | K | 39.4 | Very low | 39.4 | Very low | 125 Ų | 125 | 110.7 Ų | 110.7 | 54% | 0.543 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.7 | -27.4 | 177.6 | -77.8 | -166.2 | 168.7 | -157.1 | 0 | 114.3 | K1007 S1008 E1009 V1013 | K1007-K1011 WeakPolarHBondContact O-CG 3.22Å; K1007-K1011 PolarHBondContact O-N 2.95Å; S1008-K1011 PolarHBondContact O-N 2.57Å; E1009-K1011 PolarHBondContact O-N 2.86Å; K1011-V1013 VanDerWaalsContact C-N 3.31Å |
| 1012 | Q | 39.7 | Very low | 39.2 | Very low | 134 Ų | 134 | 112.6 Ų | 112.6 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73 | -22.8 | 174.4 | -76.2 | -178 | 23.8 | 0 | 0 | 113 | S1008 E1009 I1010 | S1008-Q1012 WeakPolarHBondContact O-CG 3.33Å; S1008-Q1012 PolarHBondContact O-N 3.39Å; E1009-Q1012 PolarHBondContact O-N 3.45Å; I1010-Q1012 VanDerWaalsContact C-N 3.3Å; I1010-Q1012 PolarHBondContact O-N 3.05Å |
| 1013 | V | 40.9 | Very low | 38.6 | Very low | 82 Ų | 82 | 120.5 Ų | 120.5 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.9 | -40.9 | 175.1 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | E1009 I1010 K1011 F1015 R1016 R1017 | E1009-V1013 PolarHBondContact O-N 2.81Å; I1010-V1013 PolarHBondContact O-N 3.11Å; I1010-V1013 VanDerWaalsContact O-N 3.13Å; K1011-V1013 VanDerWaalsContact C-N 3.31Å; V1013-F1015 PolarHBondContact O-N 2.88Å; V1013-R1016 PolarHBondContact O-N 3.21Å; V1013-R1017 PolarHBondContact O-N 2.82Å |
| 1014 | E | 35.9 | Very low | 37.8 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -57.8 | -48.7 | 175.9 | -67.2 | -178.2 | 111.7 | 0 | 0 | 111.8 | R1016 R1017 | E1014-R1016 PolarHBondContact O-N 2.74Å; E1014-R1016 VanDerWaalsContact O-N 3.12Å; E1014-R1017 PolarHBondContact O-N 2.9Å |
| 1015 | F | 33.5 | Very low | 37.1 | Very low | 172 Ų | 172 | 124 Ų | 124 | 75% | 0.754 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.4 | -22.2 | -179.9 | -101.2 | -84.6 | 0 | 0 | 0 | 114.2 | V1013 | V1013-F1015 PolarHBondContact O-N 2.88Å |
| 1016 | R | 35.8 | Very low | 36.3 | Very low | 215 Ų | 215 | 125.7 Ų | 125.7 | 81% | 0.811 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -86.9 | -15.5 | 174.9 | -79.4 | -173.1 | 172.2 | -177.2 | -0.1 | 114.4 | V1013 E1014 | V1013-R1016 PolarHBondContact O-N 3.21Å; E1014-R1016 PolarHBondContact O-N 2.74Å; E1014-R1016 VanDerWaalsContact O-N 3.12Å |
| 1017 | R | 35.5 | Very low | 35.3 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 61% | 0.608 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -85.2 | -17.8 | 178.4 | -72.4 | -172.1 | 177.8 | -172.1 | 4.3 | 113.8 | V1013 E1014 S1019 Q1241 | V1013-R1017 PolarHBondContact O-N 2.82Å; E1014-R1017 PolarHBondContact O-N 2.9Å; R1017-S1019 PolarHBondContact O-N 2.93Å; R1017-Q1241 PolarHBondContact NH1-OXT 2.79Å; R1017-Q1241 PolarHBondContact NH2-O 3.07Å; R1017-Q1241 PolarHBondContact NH2-OXT 2.75Å; R1017-Q1241 VanDerWaalsContact NH2-OXT 3.17Å |
| 1018 | L | 32.5 | Very low | 34.3 | Very low | 154 Ų | 154 | 128.1 Ų | 128.1 | 81% | 0.806 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -86.9 | 7.7 | -174 | -71.1 | 170.7 | 0 | 0 | 0 | 115.3 | ||
| 1019 | S | 36.2 | Very low | 33.1 | Very low | 89 Ų | 89 | 129.1 Ų | 129.1 | 62% | 0.622 | 71% | 0.714 | S | S | * | * | trans | -130.6 | 50.8 | -168.1 | 70.8 | 0 | 0 | 0 | 0 | 115.8 | R1017 | R1017-S1019 PolarHBondContact O-N 2.93Š| ||
| 1020 | V | 30.9 | Very low | 32.2 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | trans | -140.4 | 129.2 | 162.2 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1021 | S | 29.1 | Very low | 31.9 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -107.3 | 151.5 | 172.8 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1022 | P | 34.9 | Very low | 31.1 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -103.4 | 118.2 | -172 | 35.9 | -30.3 | 0 | 0 | 0 | 114.8 | ||||
| 1023 | E | 28.3 | Very low | 30.5 | Very low | 192 Ų | 192 | 133.9 Ų | 133.9 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -178.2 | 156.8 | 160.6 | -106.8 | 172.6 | -147.4 | 0 | 0 | 108.7 | ||||
| 1024 | S | 27.8 | Very low | 29.8 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | cis | -155 | -178.7 | -40.2 | 61.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1025 | Q | 26.6 | Very low | 29.3 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -52.3 | 149.2 | -168.2 | -53.5 | 166.4 | 5.5 | 0 | 0 | 117.3 | ||||
| 1026 | T | 24.9 | Very low | 29 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | 176.8 | -175.3 | 114.1 | 32.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1027 | S | 24.7 | Very low | 28.5 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -133.3 | 160.4 | -151.9 | 52.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1028 | G | 24 | Very low | 28.4 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 123.8 | 129.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1029 | G | 22.8 | Very low | 28 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | cis | 99.5 | 114.5 | 36.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1030 | H | 25.8 | Very low | 27.5 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | cis | -148 | -177.7 | 34.5 | -104.3 | -71.1 | 0 | 0 | 0 | 112.4 | ||||
| 1031 | P | 40.2 | Very low | 27.4 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | -108.1 | 166.2 | -157.4 | 41.2 | -38 | 0 | 0 | 0 | 117 | ||||
| 1032 | S | 23 | Very low | 27.2 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -156.2 | 126.9 | 149.6 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1033 | S | 27.1 | Very low | 26.7 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -88.6 | 143.8 | 172.5 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1034 | I | 26.8 | Very low | 26.7 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | trans | -147.8 | 156.7 | 160.4 | -96.4 | 144.4 | 0 | 0 | 0 | 108.6 | ||||
| 1035 | D | 24.2 | Very low | 26.4 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -78.6 | 168 | -150.4 | -55.1 | -87.7 | 0 | 0 | 0 | 118.6 | ||||
| 1036 | L | 28.3 | Very low | 26.3 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -55.6 | 135.9 | 154.3 | -113.1 | 68.5 | 0 | 0 | 0 | 111.1 | ||||
| 1037 | M | 24.4 | Very low | 26.2 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | -164.6 | 155.2 | 136.4 | -105.9 | -55.7 | 145.1 | 0 | 0 | 111.8 | ||||
| 1038 | S | 33.4 | Very low | 26.2 | Very low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 81% | 0.811 | S | S | * | * | trans | -79.8 | 172.6 | -177.7 | -45.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1039 | P | 25.4 | Very low | 26.3 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -119.5 | 154.3 | 133.2 | 35.5 | -31.3 | 0 | 0 | 0 | 112.7 | ||||
| 1040 | T | 24.8 | Very low | 26.3 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -120.5 | 151.1 | -171.4 | -56.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1041 | F | 29.5 | Very low | 26.3 | Very low | 196 Ų | 196 | 131.7 Ų | 131.7 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -8.6 | 139 | 169.5 | -70.7 | -104.1 | 0 | 0 | 0 | 119.4 | ||||
| 1042 | L | 24.1 | Very low | 25.5 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -151.9 | 145.6 | 136.5 | -109.6 | 172 | 0 | 0 | 0 | 111 | ||||
| 1043 | S | 25.6 | Very low | 25.4 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | -97.3 | 164.8 | -176.7 | -43 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1044 | P | 26.6 | Very low | 25.2 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | -115.8 | 171 | 142.1 | 35.5 | -27 | 0 | 0 | 0 | 111.5 | ||||
| 1045 | A | 22.4 | Very low | 25.1 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -144.8 | 163.4 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1046 | A | 25.1 | Very low | 25.4 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | trans | 65.7 | 143.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | I1048 | A1046-I1048 HydrophobicContact CB-CD1 4.41Š| ||
| 1047 | C | 21.7 | Very low | 25.2 | Very low | 136 Ų | 136 | 128 Ų | 128 | 92% | 0.919 | 81% | 0.808 | S | S | * | * | trans | -139.5 | 147.7 | 154.7 | -84.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1048 | I | 25.4 | Very low | 25.3 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 80% | 0.795 | 81% | 0.807 | S | S | * | * | trans | -154.5 | 140.2 | -157.2 | -66.4 | 174.7 | 0 | 0 | 0 | 106 | A1046 | A1046-I1048 HydrophobicContact CB-CD1 4.41Š| ||
| 1049 | S | 25.1 | Very low | 24.9 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | cis | -159.2 | -157.1 | 1.6 | 48.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1050 | A | 24.2 | Very low | 24.9 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | -162.8 | 166.6 | -77.4 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 1051 | S | 24.2 | Very low | 25 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -145.4 | 146.3 | 175.4 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1052 | S | 23.4 | Very low | 24.8 | Very low | 126 Ų | 126 | 129 Ų | 129 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | trans | -111.7 | 143.5 | -161.6 | 56.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1053 | G | 22.2 | Very low | 25 | Very low | 79 Ų | 79 | 126.8 Ų | 126.8 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | -160.7 | 128.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1054 | S | 22.9 | Very low | 25 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -93 | 150.1 | -172.9 | -53.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1055 | F | 24.5 | Very low | 25.4 | Very low | 202 Ų | 202 | 129.6 Ų | 129.6 | 89% | 0.886 | 81% | 0.81 | S | S | * | * | 179 | 173.9 | 115.2 | -93 | -54.7 | 0 | 0 | 0 | 111.5 | |||||
| 1056 | P | 29.3 | Very low | 26.1 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | -97.7 | 164.9 | -126.3 | 39 | -40 | 0 | 0 | 0 | 117.5 | |||||
| 1057 | T | 24.8 | Very low | 27.1 | Very low | 115 Ų | 115 | 131 Ų | 131 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -64.9 | 132.4 | 178.2 | -41.3 | 0 | 0 | 0 | 0 | 114.9 | C1059 | T1057-C1059 HydrophobicContact CG2-CB 4.5Å; T1057-C1059 WeakPolarHBondContact CG2-SG 3.46Å | ||
| 1058 | V | 26.4 | Very low | 28.7 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -130.9 | 123.9 | 139.3 | 177.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1059 | C | 25.5 | Very low | 30.6 | Very low | 108 Ų | 108 | 131 Ų | 131 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | -106 | 123.4 | -179.6 | -70.7 | 0 | 0 | 0 | 0 | 111 | T1057 | T1057-C1059 HydrophobicContact CG2-CB 4.5Å; T1057-C1059 WeakPolarHBondContact CG2-SG 3.46Å | ||
| 1060 | E | 24.4 | Very low | 33 | Very low | 176 Ų | 176 | 127 Ų | 127 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -108.1 | 146.6 | 147.6 | -72.4 | -160.9 | 140 | 0 | 0 | 109.4 | Q1062 | E1060-Q1062 PolarHBondContact O-N 2.75Š| ||
| 1061 | P | 27.3 | Very low | 35.6 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 84% | 0.844 | 73% | 0.731 | S | S | * | * | trans | -81 | 83.3 | -172.2 | 33.1 | -35.7 | 0 | 0 | 0 | 111.7 | T1063 | P1061-T1063 PolarHBondContact O-N 2.66Š| ||
| 1062 | Q | 26.5 | Very low | 38.5 | Very low | 187 Ų | 187 | 123.1 Ų | 123.1 | 87% | 0.874 | 70% | 0.702 | S | S | * | * | trans | -66 | 115 | 164.2 | -72.7 | -160.6 | 4.5 | 0 | 0 | 110 | E1060 S1064 | E1060-Q1062 PolarHBondContact O-N 2.75Å; Q1062-S1064 PolarHBondContact O-N 2.94Å; Q1062-S1064 VanDerWaalsContact O-N 3.14Å | ||
| 1063 | T | 26.8 | Very low | 41.5 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | trans | -66.9 | 107.2 | 165 | 37.7 | 0 | 0 | 0 | 0 | 108.8 | P1061 K1065 | P1061-T1063 PolarHBondContact O-N 2.66Å; T1063-K1065 VanDerWaalsContact C-N 3.33Å; T1063-K1065 PolarHBondContact O-N 2.83Å | ||
| 1064 | S | 27.3 | Very low | 44.5 | Very low | 118 Ų | 118 | 118.3 Ų | 118.3 | 83% | 0.825 | 64% | 0.642 | S | S | * | * | trans | -66.9 | 89.1 | 176.5 | 58 | 0 | 0 | 0 | 0 | 110.4 | Q1062 D1066 | Q1062-S1064 PolarHBondContact O-N 2.94Å; Q1062-S1064 VanDerWaalsContact O-N 3.14Å; S1064-D1066 PolarHBondContact O-N 2.74Å | ||
| 1065 | K | 34.6 | Very low | 47.4 | Very low | 175 Ų | 175 | 117 Ų | 117 | 76% | 0.761 | 62% | 0.621 | S | S | * | * | trans | -56.5 | 128.2 | 163.8 | -71.3 | -171.2 | 174.5 | -172.2 | 0 | 108 | T1063 S1067 | T1063-K1065 VanDerWaalsContact C-N 3.33Å; T1063-K1065 PolarHBondContact O-N 2.83Å; K1065-S1067 PolarHBondContact O-N 3.39Å | ||
| 1066 | D | 36.7 | Very low | 50.5 | Low | 88 Ų | 88 | 107.7 Ų | 107.7 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | trans | -60.6 | 123.7 | 175.3 | -166.9 | -36.9 | 0 | 0 | 0 | 108.3 | S1064 R1068 Q1069 | S1064-D1066 PolarHBondContact O-N 2.74Å; D1066-R1068 VanDerWaalsContact CG-NH2 3.32Å; D1066-R1068 PolarHBondContact O-N 2.65Å; D1066-R1068 IonicContact OD1-CZ 2.7Å; D1066-R1068 IonicContact OD1-NE 3.18Å; D1066-R1068 PolarHBondContact OD1-NE 2.9Å; D1066-R1068 IonicContact OD1-NH2 3.74Å; D1066-R1068 PolarHBondContact OD1-NH2 2.6Å; D1066-R1068 IonicContact OD2-CZ 3.74Å; D1066-R1068 IonicContact OD2-NE 3.88Å; D1066-R1068 IonicContact OD2-NH2 3.45Å; D1066-R1068 PolarHBondContact OD2-NH2 3.31Å; D1066-Q1069 PolarHBondContact O-N 2.84Å | ||
| 1067 | S | 46.6 | Very low | 53.2 | Low | 118 Ų | 118 | 105.3 Ų | 105.3 | 83% | 0.825 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 4.3 | -167.6 | 57.9 | 0 | 0 | 0 | 0 | 114.7 | K1065 | K1065-S1067 PolarHBondContact O-N 3.39Š|
| 1068 | R | 54.8 | Low | 56.1 | Low | 154 Ų | 154 | 100 Ų | 100 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -8.7 | -179.7 | -68 | 167.2 | -72 | -168.7 | 2.1 | 113.7 | D1066 G1070 Q1071 | D1066-R1068 VanDerWaalsContact CG-NH2 3.32Å; D1066-R1068 PolarHBondContact O-N 2.65Å; D1066-R1068 IonicContact OD1-CZ 2.7Å; D1066-R1068 IonicContact OD1-NE 3.18Å; D1066-R1068 PolarHBondContact OD1-NE 2.9Å; D1066-R1068 IonicContact OD1-NH2 3.74Å; D1066-R1068 PolarHBondContact OD1-NH2 2.6Å; D1066-R1068 IonicContact OD2-CZ 3.74Å; D1066-R1068 IonicContact OD2-NE 3.88Å; D1066-R1068 IonicContact OD2-NH2 3.45Å; D1066-R1068 PolarHBondContact OD2-NH2 3.31Å; R1068-G1070 PolarHBondContact O-N 2.94Å; R1068-Q1071 WeakPolarHBondContact O-CB 3.38Å; R1068-Q1071 PolarHBondContact O-N 2.94Å |
| 1069 | Q | 64.7 | Low | 59 | Low | 137 Ų | 137 | 93.9 Ų | 93.9 | 64% | 0.64 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 124.7 | 176.8 | -169 | 175.7 | 28.9 | 0 | 0 | 110.9 | D1066 | D1066-Q1069 PolarHBondContact O-N 2.84Š|
| 1070 | G | 75 | Confident | 62 | Low | 28 Ų | 28 | 88.8 Ų | 88.8 | 29% | 0.289 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96 | -7.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1068 R1074 D1208 | R1068-G1070 PolarHBondContact O-N 2.94Å; G1070-R1074 VanDerWaalsContact O-CB 3.28Å; G1070-R1074 WeakPolarHBondContact O-CB 3.05Å; G1070-R1074 PolarHBondContact O-N 2.71Å; G1070-D1208 WeakPolarHBondContact CA-OD1 3.42Å; G1070-D1208 WeakPolarHBondContact CA-OD2 3.32Å; G1070-D1208 VanDerWaalsContact N-CG 3.29Å; G1070-D1208 PolarHBondContact N-OD1 3.5Å; G1070-D1208 PolarHBondContact N-OD2 2.82Å |
| 1071 | Q | 80.4 | Confident | 65 | Low | 72 Ų | 72 | 80.5 Ų | 80.5 | 34% | 0.336 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | -172.9 | -164.8 | 179.7 | 36.5 | 0 | 0 | 112.8 | E967 R1068 R1075 D1208 | E967-Q1071 PolarHBondContact OE1-NE2 2.85Å; R1068-Q1071 WeakPolarHBondContact O-CB 3.38Å; R1068-Q1071 PolarHBondContact O-N 2.94Å; Q1071-R1075 WeakPolarHBondContact O-CB 3.45Å; Q1071-R1075 PolarHBondContact O-N 2.91Å; Q1071-D1208 PolarHBondContact N-OD1 2.63Å; Q1071-D1208 VanDerWaalsContact N-OD1 3.15Å |
| 1072 | W | 85.2 | Confident | 67.8 | Low | 76 Ų | 76 | 74.4 Ų | 74.4 | 29% | 0.288 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -81.3 | -33.4 | 179.6 | -66.9 | 107.7 | 0 | 0 | 0 | 111.9 | R1075 R1076 Y1207 D1208 A1210 P1211 | W1072-R1075 HydrophobicContact CE3-CB 4.44Å; W1072-R1075 PolarHBondContact O-N 2.72Å; W1072-R1076 WeakPolarHBondContact O-CG 3.13Å; W1072-R1076 PolarHBondContact O-N 3.4Å; W1072-Y1207 CarbonylContact C-O 3.59Å; W1072-D1208 WeakPolarHBondContact CB-O 3.17Å; W1072-D1208 PolarHBondContact N-OD1 2.72Å; W1072-A1210 HydrophobicContact CD2-CB 4.43Å; W1072-A1210 HydrophobicContact CZ2-CB 4.08Å; W1072-P1211 VanDerWaalsContact CE3-CD 3.48Å; W1072-P1211 HydrophobicContact CE3-CG 4.06Å; W1072-P1211 HydrophobicContact CH2-CG 4.4Å; W1072-P1211 VanDerWaalsContact CZ3-CD 3.43Å; W1072-P1211 HydrophobicContact CZ3-CG 3.83Å |
| 1073 | Q | 85.6 | Confident | 70.8 | Confident | 53 Ų | 53 | 65.5 Ų | 65.5 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 171.5 | -176.1 | 176.9 | 15.4 | 0 | 0 | 110.4 | R1075 R1076 R1077 E1140 Y1207 D1208 | Q1073-R1075 PolarHBondContact O-N 3.05Å; Q1073-R1076 PolarHBondContact O-N 3.21Å; Q1073-R1077 PolarHBondContact O-N 3.28Å; Q1073-E1140 HydrophobicContact CG-CG 4.18Å; Q1073-Y1207 WeakPolarHBondContact CA-O 3.2Å; Q1073-Y1207 PolarHBondContact N-O 3.03Å; Q1073-D1208 HydrophobicContact CB-CB 4.13Å; Q1073-D1208 PolarHBondContact N-OD1 3.12Å |
| 1074 | R | 84.2 | Confident | 73.7 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 19% | 0.192 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.5 | -47.2 | 172.9 | -177.1 | -179.6 | 179.5 | -104.9 | -0.1 | 111.5 | E931 G1070 R1076 R1077 L1078 | E931-R1074 VanDerWaalsContact CD-NE 3.32Å; E931-R1074 WeakPolarHBondContact OE1-CG 3.43Å; E931-R1074 IonicContact OE1-CZ 2.67Å; E931-R1074 IonicContact OE1-NE 3.96Å; E931-R1074 PolarHBondContact OE1-NE 2.89Å; E931-R1074 VanDerWaalsContact OE1-NE 3.14Å; E931-R1074 IonicContact OE2-CZ 2.69Å; E931-R1074 IonicContact OE2-NE 3.85Å; E931-R1074 PolarHBondContact OE2-NE 2.62Å; E931-R1074 IonicContact OE2-NH2 3.66Å; E931-R1074 PolarHBondContact OE2-NH2 3.02Å; G1070-R1074 VanDerWaalsContact O-CB 3.28Å; G1070-R1074 WeakPolarHBondContact O-CB 3.05Å; G1070-R1074 PolarHBondContact O-N 2.71Å; R1074-R1076 VanDerWaalsContact C-N 3.34Å; R1074-R1076 PolarHBondContact O-N 3.45Å; R1074-R1077 WeakPolarHBondContact O-CB 3.43Å; R1074-R1077 PolarHBondContact O-N 3.09Å; R1074-L1078 HydrophobicContact CG-CD1 4.16Å; R1074-L1078 WeakPolarHBondContact O-CG 3.37Å; R1074-L1078 PolarHBondContact O-N 2.8Å |
| 1075 | R | 84.6 | Confident | 76.5 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 28% | 0.283 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 178.6 | -173.8 | 69.6 | -150.9 | -169.4 | 8.1 | 112.2 | Q1071 W1072 Q1073 L1078 D1079 | Q1071-R1075 WeakPolarHBondContact O-CB 3.45Å; Q1071-R1075 PolarHBondContact O-N 2.91Å; W1072-R1075 HydrophobicContact CE3-CB 4.44Å; W1072-R1075 PolarHBondContact O-N 2.72Å; Q1073-R1075 PolarHBondContact O-N 3.05Å; R1075-L1078 PolarHBondContact O-N 3.12Å; R1075-D1079 IonicContact CZ-OD1 3.47Å; R1075-D1079 IonicContact CZ-OD2 2.71Å; R1075-D1079 VanDerWaalsContact CZ-OD2 3.29Å; R1075-D1079 IonicContact NE-OD1 3.7Å; R1075-D1079 IonicContact NE-OD2 3.57Å; R1075-D1079 PolarHBondContact NE-OD2 2.75Å; R1075-D1079 VanDerWaalsContact NH2-CG 3.27Å; R1075-D1079 IonicContact NH2-OD1 2.83Å; R1075-D1079 PolarHBondContact NH2-OD1 3.04Å; R1075-D1079 IonicContact NH2-OD2 3.62Å; R1075-D1079 PolarHBondContact NH2-OD2 3.36Å; R1075-D1079 PolarHBondContact O-N 2.97Å |
| 1076 | R | 88.9 | Confident | 78.9 | Confident | 8 Ų | 8 | 48 Ų | 48 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.9 | -37.4 | 176.1 | -73 | -172.7 | 175.2 | 97.1 | 5.6 | 112.8 | W1072 Q1073 R1074 G1080 E1140 Q1143 E1147 Y1207 S1209 T1217 | W1072-R1076 WeakPolarHBondContact O-CG 3.13Å; W1072-R1076 PolarHBondContact O-N 3.4Å; Q1073-R1076 PolarHBondContact O-N 3.21Å; R1074-R1076 VanDerWaalsContact C-N 3.34Å; R1074-R1076 PolarHBondContact O-N 3.45Å; R1076-G1080 PolarHBondContact O-N 2.83Å; R1076-E1140 HydrophobicContact CB-CB 4.35Å; R1076-E1140 HydrophobicContact CB-CG 4.3Å; R1076-Q1143 HydrophobicContact CB-CB 4.15Å; R1076-Q1143 HydrophobicContact CB-CG 4.29Å; R1076-Q1143 HydrophobicContact CG-CB 4.33Å; R1076-Q1143 HydrophobicContact CG-CG 4.1Å; R1076-E1147 IonicContact CZ-OE1 3.26Å; R1076-E1147 VanDerWaalsContact CZ-OE1 3.31Å; R1076-E1147 IonicContact CZ-OE2 2.75Å; R1076-E1147 IonicContact NE-OE1 3.57Å; R1076-E1147 PolarHBondContact NE-OE1 2.67Å; R1076-E1147 IonicContact NE-OE2 2.79Å; R1076-E1147 IonicContact NH2-OE1 3.55Å; R1076-E1147 PolarHBondContact NH2-OE1 3.38Å; R1076-E1147 IonicContact NH2-OE2 3.4Å; R1076-E1147 PolarHBondContact NH2-OE2 2.95Å; R1076-Y1207 PolarHBondContact NH1-O 3.3Å; R1076-S1209 PolarHBondContact NH1-O 3.25Å; R1076-S1209 PolarHBondContact NH2-O 3.29Å; R1076-T1217 VanDerWaalsContact NH2-CG2 3.31Å; R1076-T1217 PolarHBondContact NH2-OG1 2.99Å |
| 1077 | R | 86.8 | Confident | 81.1 | Confident | 70 Ų | 70 | 50.4 Ų | 50.4 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.7 | -48 | 174.3 | -173.4 | 177.6 | -64.7 | 157.2 | 4.3 | 111.1 | Q1073 R1074 A1081 P1139 E1140 | Q1073-R1077 PolarHBondContact O-N 3.28Å; R1074-R1077 WeakPolarHBondContact O-CB 3.43Å; R1074-R1077 PolarHBondContact O-N 3.09Å; R1077-A1081 WeakPolarHBondContact O-CB 3.33Å; R1077-A1081 PolarHBondContact O-N 2.96Å; R1077-P1139 HydrophobicContact CG-CB 4.26Å; R1077-P1139 WeakPolarHBondContact O-CB 3.36Å; R1077-E1140 HydrophobicContact CB-CG 3.93Å; R1077-E1140 IonicContact CZ-OE1 3.91Å; R1077-E1140 IonicContact NE-OE1 2.89Å; R1077-E1140 PolarHBondContact NE-OE1 2.96Å; R1077-E1140 IonicContact NE-OE2 3.94Å; R1077-E1140 IonicContact NH2-OE1 2.74Å; R1077-E1140 PolarHBondContact NH2-OE1 2.85Å |
| 1078 | L | 86.2 | Confident | 82.9 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -55.8 | 178.3 | -67.4 | 173.5 | 0 | 0 | 0 | 111.8 | V927 I962 R1074 R1075 G1080 A1081 L1082 | V927-L1078 HydrophobicContact CG1-CD2 3.52Å; I962-L1078 HydrophobicContact CD1-CD2 4.31Å; I962-L1078 HydrophobicContact CG2-CD2 4.29Å; R1074-L1078 HydrophobicContact CG-CD1 4.16Å; R1074-L1078 WeakPolarHBondContact O-CG 3.37Å; R1074-L1078 PolarHBondContact O-N 2.8Å; R1075-L1078 PolarHBondContact O-N 3.12Å; L1078-G1080 VanDerWaalsContact C-N 3.33Å; L1078-G1080 PolarHBondContact O-N 3.35Å; L1078-A1081 PolarHBondContact O-N 3.45Å; L1078-L1082 VanDerWaalsContact O-CB 3.29Å; L1078-L1082 WeakPolarHBondContact O-CB 3.25Å; L1078-L1082 WeakPolarHBondContact O-CG 3.3Å; L1078-L1082 PolarHBondContact O-N 3.03Å |
| 1079 | D | 87.1 | Confident | 84.6 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 9% | 0.086 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.1 | -35 | -177 | -76 | -27.4 | 0 | 0 | 0 | 112.6 | R1075 N1083 R1084 | R1075-D1079 IonicContact CZ-OD1 3.47Å; R1075-D1079 IonicContact CZ-OD2 2.71Å; R1075-D1079 VanDerWaalsContact CZ-OD2 3.29Å; R1075-D1079 IonicContact NE-OD1 3.7Å; R1075-D1079 IonicContact NE-OD2 3.57Å; R1075-D1079 PolarHBondContact NE-OD2 2.75Å; R1075-D1079 VanDerWaalsContact NH2-CG 3.27Å; R1075-D1079 IonicContact NH2-OD1 2.83Å; R1075-D1079 PolarHBondContact NH2-OD1 3.04Å; R1075-D1079 IonicContact NH2-OD2 3.62Å; R1075-D1079 PolarHBondContact NH2-OD2 3.36Å; R1075-D1079 PolarHBondContact O-N 2.97Å; D1079-N1083 PolarHBondContact O-N 3.25Å; D1079-N1083 VanDerWaalsContact O-N 3.16Å; D1079-R1084 HydrophobicContact CB-CB 4.07Å; D1079-R1084 PolarHBondContact O-N 3.48Å; D1079-R1084 WeakPolarHBondContact OD1-CD 3.43Å; D1079-R1084 IonicContact OD1-NH1 3.84Å |
| 1080 | G | 88.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.6 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1076 L1078 N1083 R1142 | R1076-G1080 PolarHBondContact O-N 2.83Å; L1078-G1080 VanDerWaalsContact C-N 3.33Å; L1078-G1080 PolarHBondContact O-N 3.35Å; G1080-N1083 PolarHBondContact O-N 3.43Å; G1080-R1142 WeakPolarHBondContact O-CD 3.44Å |
| 1081 | A | 86.2 | Confident | 86.6 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.9 | -32.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L923 V927 R1077 L1078 N1083 P1139 | L923-A1081 HydrophobicContact CB-CB 4.33Å; V927-A1081 HydrophobicContact CG2-CB 3.66Å; R1077-A1081 WeakPolarHBondContact O-CB 3.33Å; R1077-A1081 PolarHBondContact O-N 2.96Å; L1078-A1081 PolarHBondContact O-N 3.45Å; A1081-N1083 VanDerWaalsContact C-N 3.28Å; A1081-N1083 PolarHBondContact O-N 2.76Å; A1081-P1139 HydrophobicContact CB-CB 4.08Å; A1081-P1139 HydrophobicContact CB-CG 4.05Å |
| 1082 | L | 87.3 | Confident | 87.1 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.1 | 174.4 | -64.2 | 177.7 | 0 | 0 | 0 | 113.6 | M916 I924 L963 L1078 R1084 | M916-L1082 HydrophobicContact CE-CB 3.93Å; M916-L1082 HydrophobicContact CE-CD2 3.84Å; M916-L1082 HydrophobicContact CE-CG 4.34Å; M916-L1082 WeakPolarHBondContact CG-O 3.22Å; M916-L1082 HydrophobicContact SD-CB 4.25Å; I924-L1082 HydrophobicContact CD1-CD2 4.28Å; I924-L1082 HydrophobicContact CG1-CD2 3.93Å; L963-L1082 HydrophobicContact CD2-CD2 3.98Å; L1078-L1082 VanDerWaalsContact O-CB 3.29Å; L1078-L1082 WeakPolarHBondContact O-CB 3.25Å; L1078-L1082 WeakPolarHBondContact O-CG 3.3Å; L1078-L1082 PolarHBondContact O-N 3.03Å; L1082-R1084 HydrophobicContact CB-CG 4.11Å; L1082-R1084 PolarHBondContact O-N 3.22Å |
| 1083 | N | 88.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 47.1 | -177.5 | -75.5 | -30.6 | 0 | 0 | 0 | 113.6 | R918 R920 D1079 G1080 A1081 N1134 R1142 | R918-N1083 PolarHBondContact O-ND2 3.12Å; R920-N1083 WeakPolarHBondContact CD-ND2 3.24Å; D1079-N1083 PolarHBondContact O-N 3.25Å; D1079-N1083 VanDerWaalsContact O-N 3.16Å; G1080-N1083 PolarHBondContact O-N 3.43Å; A1081-N1083 VanDerWaalsContact C-N 3.28Å; A1081-N1083 PolarHBondContact O-N 2.76Å; N1083-N1134 PolarHBondContact ND2-OD1 3.07Å; N1083-N1134 PolarHBondContact OD1-OD1 3.12Å; N1083-N1134 VanDerWaalsContact OD1-OD1 3.08Å; N1083-R1142 VanDerWaalsContact OD1-CZ 3.24Å; N1083-R1142 PolarHBondContact OD1-NE 2.94Å; N1083-R1142 PolarHBondContact OD1-NH2 3.24Å |
| 1084 | R | 87.8 | Confident | 87.8 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 9% | 0.087 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -88 | 115.4 | -177.1 | -77.9 | 178.9 | 160.7 | 160.5 | 0 | 112.9 | L912 E915 M916 L963 D1079 L1082 | L912-R1084 PolarHBondContact O-NH2 3.29Å; E915-R1084 WeakPolarHBondContact O-CA 3.37Å; M916-R1084 HydrophobicContact CG-CG 3.43Å; M916-R1084 VanDerWaalsContact CG-CG 3.43Å; M916-R1084 HydrophobicContact SD-CG 4.27Å; M916-R1084 PolarHBondContact SD-NE 2.95Å; M916-R1084 VanDerWaalsContact SD-NE 3.37Å; M916-R1084 PolarHBondContact SD-NH2 2.83Å; M916-R1084 VanDerWaalsContact SD-NH2 3.43Å; L963-R1084 PolarHBondContact O-NH1 2.7Å; L963-R1084 PolarHBondContact O-NH2 3.42Å; D1079-R1084 HydrophobicContact CB-CB 4.07Å; D1079-R1084 PolarHBondContact O-N 3.48Å; D1079-R1084 WeakPolarHBondContact OD1-CD 3.43Å; D1079-R1084 IonicContact OD1-NH1 3.84Å; L1082-R1084 HydrophobicContact CB-CG 4.11Å; L1082-R1084 PolarHBondContact O-N 3.22Å |
| 1085 | V | 87.8 | Confident | 88.1 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 4% | 0.036 | 17% | 0.166 | C | C | . | . | trans | -118.5 | 144.1 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | E915 F1089 Y1090 V1146 | E915-V1085 WeakPolarHBondContact CB-O 3.47Å; E915-V1085 VanDerWaalsContact CG-O 3.29Å; E915-V1085 WeakPolarHBondContact CG-O 3.43Å; E915-V1085 PolarHBondContact O-N 3.49Å; E915-V1085 VanDerWaalsContact O-N 3.16Å; V1085-F1089 HydrophobicContact CB-CB 4.01Å; V1085-F1089 HydrophobicContact CB-CD1 3.78Å; V1085-F1089 HydrophobicContact CB-CE1 4.37Å; V1085-F1089 HydrophobicContact CB-CG 3.9Å; V1085-F1089 HydrophobicContact CG1-CD1 3.97Å; V1085-F1089 HydrophobicContact CG1-CE1 4.08Å; V1085-F1089 HydrophobicContact CG1-CG 4.47Å; V1085-F1089 HydrophobicContact CG2-CB 4.04Å; V1085-F1089 HydrophobicContact CG2-CD1 3.95Å; V1085-F1089 HydrophobicContact CG2-CG 4.26Å; V1085-Y1090 HydrophobicContact CG2-CE1 4.25Å; V1085-Y1090 HydrophobicContact CG2-CE2 3.81Å; V1085-Y1090 WeakPolarHBondContact CG2-OH 3.4Å; V1085-V1146 HydrophobicContact CG1-CG1 4.22Å; V1085-V1146 HydrophobicContact CG1-CG2 4.18Å | ||
| 1086 | P | 84.3 | Confident | 88.4 | Confident | 24 Ų | 24 | 31.7 Ų | 31.7 | 16% | 0.156 | 15% | 0.153 | C | C | . | . | trans | -59.8 | 149.6 | -177.3 | -25.1 | 34.7 | 0 | 0 | 0 | 114.3 | E915 G1088 F1089 L1150 | E915-P1086 WeakPolarHBondContact OE1-CA 3.17Å; P1086-G1088 PolarHBondContact O-N 3.18Å; P1086-F1089 WeakPolarHBondContact O-CB 3.29Å; P1086-F1089 PolarHBondContact O-N 3.41Å; P1086-L1150 HydrophobicContact CG-CD1 4.3Å; P1086-L1150 HydrophobicContact CG-CD2 4.17Å | ||
| 1087 | I | 83 | Confident | 88.5 | Confident | 138 Ų | 138 | 31.3 Ų | 31.3 | 71% | 0.708 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.3 | 129 | 172.4 | -65.5 | 168.4 | 0 | 0 | 0 | 112.1 | E915 F1089 K1092 | E915-I1087 HydrophobicContact CG-CG1 4.09Å; E915-I1087 PolarHBondContact OE1-N 3.48Å; I1087-F1089 VanDerWaalsContact C-N 3.3Å; I1087-F1089 PolarHBondContact O-N 2.89Å; I1087-K1092 PolarHBondContact O-NZ 3.41Å; I1087-K1092 VanDerWaalsContact O-NZ 3.07Å |
| 1088 | G | 84.4 | Confident | 88.6 | Confident | 26 Ų | 26 | 32.9 Ų | 32.9 | 27% | 0.268 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 11 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P1086 Q1091 K1092 | P1086-G1088 PolarHBondContact O-N 3.18Å; G1088-Q1091 PolarHBondContact O-N 2.93Å; G1088-K1092 WeakPolarHBondContact O-CD 3.41Å; G1088-K1092 VanDerWaalsContact O-CG 3.24Å; G1088-K1092 WeakPolarHBondContact O-CG 3.35Å; G1088-K1092 PolarHBondContact O-N 2.96Å; G1088-K1092 VanDerWaalsContact O-N 3.13Å |
| 1089 | F | 90.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -52.9 | -55.2 | 178.7 | 176.2 | -102.3 | 0 | 0 | 0 | 112.3 | V1085 P1086 I1087 Q1091 K1092 V1093 V1129 L1133 V1146 I1149 | V1085-F1089 HydrophobicContact CB-CB 4.01Å; V1085-F1089 HydrophobicContact CB-CD1 3.78Å; V1085-F1089 HydrophobicContact CB-CE1 4.37Å; V1085-F1089 HydrophobicContact CB-CG 3.9Å; V1085-F1089 HydrophobicContact CG1-CD1 3.97Å; V1085-F1089 HydrophobicContact CG1-CE1 4.08Å; V1085-F1089 HydrophobicContact CG1-CG 4.47Å; V1085-F1089 HydrophobicContact CG2-CB 4.04Å; V1085-F1089 HydrophobicContact CG2-CD1 3.95Å; V1085-F1089 HydrophobicContact CG2-CG 4.26Å; P1086-F1089 WeakPolarHBondContact O-CB 3.29Å; P1086-F1089 PolarHBondContact O-N 3.41Å; I1087-F1089 VanDerWaalsContact C-N 3.3Å; I1087-F1089 PolarHBondContact O-N 2.89Å; F1089-Q1091 PolarHBondContact O-N 3.4Å; F1089-K1092 WeakPolarHBondContact O-CA 3.4Å; F1089-K1092 WeakPolarHBondContact O-CB 3.43Å; F1089-K1092 PolarHBondContact O-N 3.04Å; F1089-V1093 HydrophobicContact CD1-CG2 4.14Å; F1089-V1093 HydrophobicContact CD2-CG2 4.4Å; F1089-V1093 HydrophobicContact CE1-CG2 3.87Å; F1089-V1093 HydrophobicContact CE2-CG2 4.15Å; F1089-V1093 HydrophobicContact CG-CG2 4.39Å; F1089-V1093 HydrophobicContact CZ-CG2 3.87Å; F1089-V1093 WeakPolarHBondContact O-CG2 3.39Å; F1089-V1093 PolarHBondContact O-N 3.22Å; F1089-V1129 HydrophobicContact CE1-CG1 4.01Å; F1089-L1133 HydrophobicContact CE1-CD1 3.93Å; F1089-L1133 HydrophobicContact CZ-CD1 4.16Å; F1089-V1146 HydrophobicContact CE2-CG1 4.02Å; F1089-V1146 HydrophobicContact CZ-CG1 4.34Å; F1089-V1146 HydrophobicContact CZ-CG2 4.45Å; F1089-I1149 HydrophobicContact CE2-CB 3.98Å; F1089-I1149 HydrophobicContact CE2-CG2 3.57Å; F1089-I1149 HydrophobicContact CZ-CB 4.11Å; F1089-I1149 HydrophobicContact CZ-CD1 4.35Å; F1089-I1149 HydrophobicContact CZ-CG2 3.67Å |
| 1090 | Y | 90.9 | Very high | 88.7 | Confident | 29 Ų | 29 | 33.8 Ų | 33.8 | 11% | 0.114 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | -177.9 | -52.3 | -61.9 | 0 | 0 | 0 | 113.1 | F917 V1085 K1092 V1093 W1094 F1125 S1126 V1129 E1130 | F917-Y1090 HydrophobicContact CB-CE2 4.49Å; V1085-Y1090 HydrophobicContact CG2-CE1 4.25Å; V1085-Y1090 HydrophobicContact CG2-CE2 3.81Å; V1085-Y1090 WeakPolarHBondContact CG2-OH 3.4Å; Y1090-K1092 VanDerWaalsContact C-N 3.25Å; Y1090-K1092 PolarHBondContact O-N 3.45Å; Y1090-V1093 WeakPolarHBondContact O-CB 3.5Å; Y1090-V1093 PolarHBondContact O-N 2.96Å; Y1090-V1093 VanDerWaalsContact O-N 3.11Å; Y1090-W1094 PolarHBondContact O-N 3.28Å; Y1090-F1125 WeakPolarHBondContact O-CE1 3.23Å; Y1090-S1126 WeakPolarHBondContact CB-OG 3.36Å; Y1090-S1126 WeakPolarHBondContact CD2-OG 3.49Å; Y1090-V1129 HydrophobicContact CD1-CB 3.82Å; Y1090-V1129 HydrophobicContact CD1-CG1 3.88Å; Y1090-V1129 HydrophobicContact CD1-CG2 4.19Å; Y1090-V1129 HydrophobicContact CE1-CB 4.11Å; Y1090-V1129 HydrophobicContact CE1-CG1 4.05Å; Y1090-E1130 HydrophobicContact CE1-CG 3.92Å; Y1090-E1130 WeakPolarHBondContact OH-CG 3.35Å; Y1090-E1130 PolarHBondContact OH-OE1 2.84Å |
| 1091 | Q | 90.3 | Very high | 88.8 | Confident | 107 Ų | 107 | 38.8 Ų | 38.8 | 50% | 0.5 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.3 | -36.4 | 174.7 | -71.3 | 174.8 | -11.9 | 0 | 0 | 112.7 | G1088 F1089 K1095 P1120 | G1088-Q1091 PolarHBondContact O-N 2.93Å; F1089-Q1091 PolarHBondContact O-N 3.4Å; Q1091-K1095 WeakPolarHBondContact O-CG 3.41Å; Q1091-K1095 PolarHBondContact O-N 2.91Å; Q1091-P1120 HydrophobicContact CG-CB 4.41Å; Q1091-P1120 VanDerWaalsContact CG-O 3.31Å; Q1091-P1120 WeakPolarHBondContact CG-O 3.15Å |
| 1092 | K | 91 | Very high | 89 | Confident | 81 Ų | 81 | 38.8 Ų | 38.8 | 35% | 0.352 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -73.9 | -37.6 | 175.6 | -66 | 162 | -174.3 | 158.2 | 0 | 112 | I1087 G1088 F1089 Y1090 W1094 K1095 I1096 T1153 | I1087-K1092 PolarHBondContact O-NZ 3.41Å; I1087-K1092 VanDerWaalsContact O-NZ 3.07Å; G1088-K1092 WeakPolarHBondContact O-CD 3.41Å; G1088-K1092 VanDerWaalsContact O-CG 3.24Å; G1088-K1092 WeakPolarHBondContact O-CG 3.35Å; G1088-K1092 PolarHBondContact O-N 2.96Å; G1088-K1092 VanDerWaalsContact O-N 3.13Å; F1089-K1092 WeakPolarHBondContact O-CA 3.4Å; F1089-K1092 WeakPolarHBondContact O-CB 3.43Å; F1089-K1092 PolarHBondContact O-N 3.04Å; Y1090-K1092 VanDerWaalsContact C-N 3.25Å; Y1090-K1092 PolarHBondContact O-N 3.45Å; K1092-W1094 VanDerWaalsContact C-N 3.32Å; K1092-K1095 PolarHBondContact O-N 3.45Å; K1092-I1096 PolarHBondContact O-N 3Å; K1092-I1096 VanDerWaalsContact O-N 3.09Å; K1092-T1153 HydrophobicContact CB-CG2 3.55Å |
| 1093 | V | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60 | -43.1 | 172.2 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | F1089 Y1090 K1095 I1096 L1097 L1103 L1110 F1125 V1129 I1149 | F1089-V1093 HydrophobicContact CD1-CG2 4.14Å; F1089-V1093 HydrophobicContact CD2-CG2 4.4Å; F1089-V1093 HydrophobicContact CE1-CG2 3.87Å; F1089-V1093 HydrophobicContact CE2-CG2 4.15Å; F1089-V1093 HydrophobicContact CG-CG2 4.39Å; F1089-V1093 HydrophobicContact CZ-CG2 3.87Å; F1089-V1093 WeakPolarHBondContact O-CG2 3.39Å; F1089-V1093 PolarHBondContact O-N 3.22Å; Y1090-V1093 WeakPolarHBondContact O-CB 3.5Å; Y1090-V1093 PolarHBondContact O-N 2.96Å; Y1090-V1093 VanDerWaalsContact O-N 3.11Å; V1093-K1095 PolarHBondContact O-N 2.87Å; V1093-I1096 VanDerWaalsContact O-CG2 3.23Å; V1093-I1096 WeakPolarHBondContact O-CG2 3.47Å; V1093-I1096 PolarHBondContact O-N 2.84Å; V1093-L1097 HydrophobicContact CG1-CD1 4.29Å; V1093-L1097 HydrophobicContact CG1-CG 4.49Å; V1093-L1097 WeakPolarHBondContact O-CG 3.47Å; V1093-L1097 PolarHBondContact O-N 2.99Å; V1093-L1103 HydrophobicContact CG1-CD1 4.12Å; V1093-L1110 HydrophobicContact CG1-CD2 3.87Å; V1093-F1125 HydrophobicContact CG1-CZ 4.23Å; V1093-V1129 HydrophobicContact CB-CG2 4.45Å; V1093-V1129 HydrophobicContact CG1-CG1 4.25Å; V1093-V1129 HydrophobicContact CG1-CG2 3.9Å; V1093-V1129 HydrophobicContact CG2-CG1 4.47Å; V1093-I1149 HydrophobicContact CG2-CG2 3.68Å |
| 1094 | W | 93.4 | Very high | 89.6 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 8% | 0.083 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.4 | -46.2 | 174.5 | -168.5 | 97 | 0 | 0 | 0 | 111.8 | Y1090 K1092 I1096 L1097 Q1098 T1115 M1118 P1120 F1125 | Y1090-W1094 PolarHBondContact O-N 3.28Å; K1092-W1094 VanDerWaalsContact C-N 3.32Å; W1094-I1096 PolarHBondContact O-N 3.02Å; W1094-L1097 PolarHBondContact O-N 3.13Å; W1094-Q1098 HydrophobicContact CE3-CG 4.11Å; W1094-Q1098 HydrophobicContact CH2-CG 4.3Å; W1094-Q1098 HydrophobicContact CZ3-CG 3.98Å; W1094-Q1098 PolarHBondContact O-N 3.04Å; W1094-T1115 HydrophobicContact CD2-CG2 4.36Å; W1094-T1115 HydrophobicContact CG-CG2 4.28Å; W1094-M1118 PolarHBondContact NE1-O 3.36Å; W1094-P1120 HydrophobicContact CB-CB 4.04Å; W1094-P1120 HydrophobicContact CD2-CB 3.69Å; W1094-P1120 HydrophobicContact CD2-CG 4.08Å; W1094-P1120 HydrophobicContact CE3-CB 3.85Å; W1094-P1120 HydrophobicContact CE3-CG 3.97Å; W1094-P1120 HydrophobicContact CG-CB 3.77Å; W1094-P1120 HydrophobicContact CH2-CG 4.41Å; W1094-P1120 HydrophobicContact CZ3-CB 4.5Å; W1094-P1120 HydrophobicContact CZ3-CG 4.12Å; W1094-F1125 HydrophobicContact CB-CD1 4.32Å; W1094-F1125 HydrophobicContact CB-CE1 3.69Å; W1094-F1125 HydrophobicContact CB-CE2 4.45Å; W1094-F1125 HydrophobicContact CB-CZ 3.77Å; W1094-F1125 AromaticContact CD1-CD2 3.8Å; W1094-F1125 AromaticContact CD1-CE2 3.74Å; W1094-F1125 AromaticContact CD1-CZ 3.92Å; W1094-F1125 HydrophobicContact CG-CE1 4.36Å; W1094-F1125 HydrophobicContact CG-CE2 4.46Å; W1094-F1125 HydrophobicContact CG-CZ 4.25Å |
| 1095 | K | 90.5 | Very high | 89.8 | Confident | 106 Ų | 106 | 38.3 Ų | 38.3 | 46% | 0.461 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.4 | -36.9 | 178 | -71.6 | -176.8 | 178 | -169.3 | 0 | 114.2 | Q1091 K1092 V1093 A1156 | Q1091-K1095 WeakPolarHBondContact O-CG 3.41Å; Q1091-K1095 PolarHBondContact O-N 2.91Å; K1092-K1095 PolarHBondContact O-N 3.45Å; V1093-K1095 PolarHBondContact O-N 2.87Å; K1095-A1156 HydrophobicContact CB-CB 3.97Å |
| 1096 | I | 90.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75 | -33.3 | 176.2 | -170.6 | 63.5 | 0 | 0 | 0 | 111.6 | K1092 V1093 W1094 Q1098 K1099 C1100 L1103 T1153 L1155 A1156 I1163 | K1092-I1096 PolarHBondContact O-N 3Å; K1092-I1096 VanDerWaalsContact O-N 3.09Å; V1093-I1096 VanDerWaalsContact O-CG2 3.23Å; V1093-I1096 WeakPolarHBondContact O-CG2 3.47Å; V1093-I1096 PolarHBondContact O-N 2.84Å; W1094-I1096 PolarHBondContact O-N 3.02Å; I1096-Q1098 PolarHBondContact O-N 3.16Å; I1096-K1099 PolarHBondContact O-N 3.46Å; I1096-C1100 PolarHBondContact O-N 3.45Å; I1096-L1103 HydrophobicContact CG2-CD1 4.29Å; I1096-T1153 HydrophobicContact CG2-CG2 4.27Å; I1096-L1155 HydrophobicContact CD1-CB 4.15Å; I1096-A1156 HydrophobicContact CB-CB 4.41Å; I1096-I1163 HydrophobicContact CD1-CD1 3.87Å |
| 1097 | L | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -27.1 | 172.5 | -74.6 | 175 | 0 | 0 | 0 | 113.6 | V1093 W1094 K1099 L1103 L1110 S1112 T1115 F1125 | V1093-L1097 HydrophobicContact CG1-CD1 4.29Å; V1093-L1097 HydrophobicContact CG1-CG 4.49Å; V1093-L1097 WeakPolarHBondContact O-CG 3.47Å; V1093-L1097 PolarHBondContact O-N 2.99Å; W1094-L1097 PolarHBondContact O-N 3.13Å; L1097-K1099 PolarHBondContact O-N 3.13Å; L1097-L1103 HydrophobicContact CD2-CG 3.96Å; L1097-L1110 HydrophobicContact CD1-CD1 4.46Å; L1097-L1110 HydrophobicContact CD1-CD2 3.87Å; L1097-L1110 HydrophobicContact CD1-CG 3.84Å; L1097-L1110 HydrophobicContact CD2-CD2 4.43Å; L1097-L1110 HydrophobicContact CD2-CG 4.2Å; L1097-L1110 WeakPolarHBondContact CD2-O 3.43Å; L1097-S1112 WeakPolarHBondContact O-CB 3.48Å; L1097-T1115 HydrophobicContact CB-CG2 3.62Å; L1097-T1115 HydrophobicContact CD1-CG2 4.38Å; L1097-F1125 HydrophobicContact CD1-CE2 3.78Å; L1097-F1125 HydrophobicContact CD1-CZ 3.7Å |
| 1098 | Q | 89.1 | Confident | 90 | Very high | 102 Ų | 102 | 41.8 Ų | 41.8 | 48% | 0.477 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -20.5 | 171.3 | -64.5 | -172.5 | -75.8 | 0 | 0 | 113.1 | W1094 I1096 T1115 | W1094-Q1098 HydrophobicContact CE3-CG 4.11Å; W1094-Q1098 HydrophobicContact CH2-CG 4.3Å; W1094-Q1098 HydrophobicContact CZ3-CG 3.98Å; W1094-Q1098 PolarHBondContact O-N 3.04Å; I1096-Q1098 PolarHBondContact O-N 3.16Å; Q1098-T1115 HydrophobicContact CG-CG2 4.27Å |
| 1099 | K | 87.1 | Confident | 90.3 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 15% | 0.148 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -6.8 | -176.2 | -60.9 | -174 | -174 | 178.5 | 0 | 114.1 | I1096 L1097 L1155 A1156 I1158 S1162 I1163 | I1096-K1099 PolarHBondContact O-N 3.46Å; L1097-K1099 PolarHBondContact O-N 3.13Å; K1099-L1155 PolarHBondContact NZ-O 3.15Å; K1099-A1156 VanDerWaalsContact NZ-C 3.3Å; K1099-A1156 PolarHBondContact NZ-O 3.13Å; K1099-I1158 PolarHBondContact NZ-O 2.93Å; K1099-S1162 CarbonylContact O-C 3.16Å; K1099-S1162 PolarHBondContact O-OG 2.93Å; K1099-I1163 HydrophobicContact CB-CD1 4.4Å; K1099-I1163 PolarHBondContact O-N 3.42Å |
| 1100 | C | 88.8 | Confident | 90.4 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.034 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -126.3 | 176.4 | 177.6 | 69 | 0 | 0 | 0 | 0 | 111.4 | I1096 G1102 S1112 S1165 I1167 | I1096-C1100 PolarHBondContact O-N 3.45Å; C1100-G1102 PolarHBondContact SG-O 3.22Å; C1100-G1102 VanDerWaalsContact SG-O 3.35Å; C1100-S1112 WeakPolarHBondContact O-CB 3.3Å; C1100-S1112 PolarHBondContact O-OG 3.41Å; C1100-S1165 WeakPolarHBondContact CB-O 3.25Å; C1100-I1167 HydrophobicContact CB-CD1 3.93Å; C1100-I1167 HydrophobicContact CB-CG1 4.24Å |
| 1101 | H | 89.1 | Confident | 90.5 | Very high | 107 Ų | 107 | 44.3 Ų | 44.3 | 50% | 0.495 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -82.4 | -20.8 | 170.9 | -66 | 150.1 | 0 | 0 | 0 | 112.4 | S1112 G1164 S1165 I1166 | H1101-S1112 PolarHBondContact O-N 2.8Å; H1101-S1112 PolarHBondContact O-OG 2.68Å; H1101-G1164 VanDerWaalsContact CE1-C 3.49Å; H1101-G1164 PolarHBondContact CE1-O 3.1Å; H1101-G1164 PolarHBondContact ND1-O 2.91Å; H1101-S1165 PolarHBondContact N-O 3.23Å; H1101-I1166 HydrophobicContact CB-CG1 3.91Å |
| 1102 | G | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.8 | 175.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C1100 L1110 I1166 I1167 | C1100-G1102 PolarHBondContact SG-O 3.22Å; C1100-G1102 VanDerWaalsContact SG-O 3.35Å; G1102-L1110 CarbonylContact C-O 3.59Å; G1102-L1110 WeakPolarHBondContact CA-O 3.33Å; G1102-I1166 WeakPolarHBondContact O-CA 3.23Å; G1102-I1167 PolarHBondContact O-N 3.3Å |
| 1103 | L | 93.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.5 | 167.3 | -57.4 | -179.7 | 0 | 0 | 0 | 108.4 | V1093 I1096 L1097 V1109 L1110 I1149 L1152 I1167 V1169 | V1093-L1103 HydrophobicContact CG1-CD1 4.12Å; I1096-L1103 HydrophobicContact CG2-CD1 4.29Å; L1097-L1103 HydrophobicContact CD2-CG 3.96Å; L1103-V1109 CarbonylContact O-C 3.57Å; L1103-V1109 WeakPolarHBondContact O-CA 3.42Å; L1103-L1110 HydrophobicContact CB-CB 4.49Å; L1103-L1110 PolarHBondContact N-O 2.96Å; L1103-L1110 PolarHBondContact O-N 2.98Å; L1103-I1149 HydrophobicContact CD1-CG2 4.48Å; L1103-L1152 HydrophobicContact CD2-CD1 4.35Å; L1103-I1167 CarbonylContact C-O 3.57Å; L1103-I1167 WeakPolarHBondContact CA-O 3.26Å; L1103-I1167 HydrophobicContact CD2-CB 3.96Å; L1103-I1167 HydrophobicContact CD2-CD1 4.23Å; L1103-V1169 HydrophobicContact CB-CG2 4.42Å |
| 1104 | S | 93.3 | Very high | 90 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 140.6 | 167.7 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | G1107 F1108 I1167 V1169 E1170 | S1104-G1107 PolarHBondContact OG-N 2.63Å; S1104-F1108 WeakPolarHBondContact CA-O 3.46Å; S1104-I1167 PolarHBondContact N-O 2.99Å; S1104-V1169 WeakPolarHBondContact O-CB 3.49Å; S1104-V1169 VanDerWaalsContact O-CG2 3.28Å; S1104-V1169 WeakPolarHBondContact O-CG2 3.41Å; S1104-V1169 PolarHBondContact O-N 3.18Å; S1104-E1170 VanDerWaalsContact C-OE2 3.28Å; S1104-E1170 PolarHBondContact OG-OE1 2.86Å |
| 1105 | V | 92.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 118.2 | 165.7 | -178.8 | 0 | 0 | 0 | 0 | 106.8 | G1107 F1108 V1132 L1133 V1136 L1145 I1149 V1169 E1170 | V1105-G1107 PolarHBondContact O-N 3.35Å; V1105-F1108 PolarHBondContact N-O 3.28Å; V1105-F1108 WeakPolarHBondContact O-CB 3.46Å; V1105-F1108 PolarHBondContact O-N 3.36Å; V1105-V1132 HydrophobicContact CB-CG1 3.87Å; V1105-V1132 HydrophobicContact CG2-CG1 4.03Å; V1105-L1133 HydrophobicContact CG2-CD2 4.35Å; V1105-V1136 HydrophobicContact CG1-CG2 3.79Å; V1105-L1145 HydrophobicContact CG1-CD1 3.95Å; V1105-I1149 HydrophobicContact CG2-CD1 4.47Å; V1105-V1169 HydrophobicContact CG2-CB 4.32Å; V1105-V1169 HydrophobicContact CG2-CG2 4.29Å; V1105-E1170 VanDerWaalsContact CA-OE2 3.31Å; V1105-E1170 WeakPolarHBondContact CA-OE2 3.15Å |
| 1106 | E | 87.1 | Confident | 89.6 | Confident | 85 Ų | 85 | 40.1 Ų | 40.1 | 40% | 0.397 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 40.3 | -177.4 | -61.4 | -55.2 | 117.9 | 0 | 0 | 113.4 | F1108 V1136 Y1141 E1170 | E1106-F1108 WeakPolarHBondContact O-CD2 3.38Å; E1106-F1108 PolarHBondContact O-N 3.33Å; E1106-V1136 HydrophobicContact CG-CG2 3.99Å; E1106-Y1141 HydrophobicContact CG-CE1 4.34Å; E1106-Y1141 VanDerWaalsContact OE1-CE1 3.25Å; E1106-Y1141 WeakPolarHBondContact OE1-CE1 3.27Å; E1106-Y1141 PolarHBondContact OE1-OH 2.92Å; E1106-E1170 PolarHBondContact N-OE2 3.31Å; E1106-E1170 WeakPolarHBondContact OE1-CB 3.33Å |
| 1107 | G | 82.9 | Confident | 89.3 | Confident | 58 Ų | 58 | 42.5 Ų | 42.5 | 60% | 0.598 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | -7.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1104 V1105 | S1104-G1107 PolarHBondContact OG-N 2.63Å; V1105-G1107 PolarHBondContact O-N 3.35Å |
| 1108 | F | 88.9 | Confident | 89.3 | Confident | 97 Ų | 97 | 43.2 Ų | 43.2 | 43% | 0.425 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 118.1 | 173.5 | -66.3 | -85.7 | 0 | 0 | 0 | 110.4 | S1104 V1105 E1106 V1132 R1135 | S1104-F1108 WeakPolarHBondContact CA-O 3.46Å; V1105-F1108 PolarHBondContact N-O 3.28Å; V1105-F1108 WeakPolarHBondContact O-CB 3.46Å; V1105-F1108 PolarHBondContact O-N 3.36Å; E1106-F1108 WeakPolarHBondContact O-CD2 3.38Å; E1106-F1108 PolarHBondContact O-N 3.33Å; F1108-V1132 HydrophobicContact CB-CG1 4.48Å; F1108-R1135 VanDerWaalsContact CD1-NH1 3.32Å; F1108-R1135 VanDerWaalsContact CD2-CD 3.5Å; F1108-R1135 VanDerWaalsContact CE2-CD 3.44Å |
| 1109 | V | 91.1 | Very high | 89.3 | Confident | 64 Ų | 64 | 38.7 Ų | 38.7 | 39% | 0.388 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.9 | -178.5 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | L1103 P1111 I1166 | L1103-V1109 CarbonylContact O-C 3.57Å; L1103-V1109 WeakPolarHBondContact O-CA 3.42Å; V1109-P1111 WeakPolarHBondContact O-CD 3.11Å; V1109-I1166 HydrophobicContact CG1-CD1 4.2Å; V1109-I1166 HydrophobicContact CG1-CG2 4.02Å; V1109-I1166 HydrophobicContact CG2-CD1 4.32Å; V1109-I1166 HydrophobicContact CG2-CG2 4.11Å |
| 1110 | L | 93 | Very high | 89.3 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 104.7 | 159.4 | 177.7 | 62.8 | 0 | 0 | 0 | 107.9 | V1093 L1097 G1102 L1103 H1128 V1129 V1132 | V1093-L1110 HydrophobicContact CG1-CD2 3.87Å; L1097-L1110 HydrophobicContact CD1-CD1 4.46Å; L1097-L1110 HydrophobicContact CD1-CD2 3.87Å; L1097-L1110 HydrophobicContact CD1-CG 3.84Å; L1097-L1110 HydrophobicContact CD2-CD2 4.43Å; L1097-L1110 HydrophobicContact CD2-CG 4.2Å; L1097-L1110 WeakPolarHBondContact CD2-O 3.43Å; G1102-L1110 CarbonylContact C-O 3.59Å; G1102-L1110 WeakPolarHBondContact CA-O 3.33Å; L1103-L1110 HydrophobicContact CB-CB 4.49Å; L1103-L1110 PolarHBondContact N-O 2.96Å; L1103-L1110 PolarHBondContact O-N 2.98Å; L1110-H1128 WeakPolarHBondContact CD1-CD2 3.47Å; L1110-V1129 HydrophobicContact CD2-CG2 4.01Å; L1110-V1132 HydrophobicContact CB-CG2 4.2Å; L1110-V1132 HydrophobicContact CD1-CG2 4.49Å |
| 1111 | P | 91.8 | Very high | 89.2 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 26% | 0.26 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 154.8 | -169 | 33.9 | -35.8 | 0 | 0 | 0 | 112.4 | V1109 S1113 S1114 | V1109-P1111 WeakPolarHBondContact O-CD 3.11Å; P1111-S1113 WeakPolarHBondContact CG-OG 3.25Å; P1111-S1113 PolarHBondContact O-N 3.21Å; P1111-S1114 PolarHBondContact O-N 2.85Å; P1111-S1114 PolarHBondContact O-OG 2.91Å |
| 1112 | S | 89.6 | Confident | 89.1 | Confident | 27 Ų | 27 | 34.9 Ų | 34.9 | 19% | 0.189 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -14 | 173.5 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | L1097 C1100 H1101 S1114 T1115 | L1097-S1112 WeakPolarHBondContact O-CB 3.48Å; C1100-S1112 WeakPolarHBondContact O-CB 3.3Å; C1100-S1112 PolarHBondContact O-OG 3.41Å; H1101-S1112 PolarHBondContact O-N 2.8Å; H1101-S1112 PolarHBondContact O-OG 2.68Å; S1112-S1114 PolarHBondContact O-N 3.21Å; S1112-T1115 PolarHBondContact O-N 2.91Å; S1112-T1115 VanDerWaalsContact O-N 3.12Å; S1112-T1115 PolarHBondContact O-OG1 2.72Å |
| 1113 | S | 87.5 | Confident | 88.8 | Confident | 45 Ų | 45 | 35.4 Ų | 35.4 | 32% | 0.315 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.7 | 171.5 | 63.5 | 0 | 0 | 0 | 0 | 112.7 | P1111 T1115 R1116 E1117 | P1111-S1113 WeakPolarHBondContact CG-OG 3.25Å; P1111-S1113 PolarHBondContact O-N 3.21Å; S1113-T1115 PolarHBondContact O-N 3.15Å; S1113-R1116 WeakPolarHBondContact O-CA 3.24Å; S1113-R1116 VanDerWaalsContact O-CB 3.26Å; S1113-R1116 WeakPolarHBondContact O-CB 3.43Å; S1113-R1116 PolarHBondContact O-N 2.84Å; S1113-E1117 PolarHBondContact O-N 3.13Å |
| 1114 | S | 87.7 | Confident | 88.5 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.5 | -24.6 | 176.5 | -49.6 | 0 | 0 | 0 | 0 | 113 | P1111 S1112 R1116 M1118 H1128 | P1111-S1114 PolarHBondContact O-N 2.85Å; P1111-S1114 PolarHBondContact O-OG 2.91Å; S1112-S1114 PolarHBondContact O-N 3.21Å; S1114-R1116 VanDerWaalsContact C-N 3.34Å; S1114-M1118 WeakPolarHBondContact O-CB 3.37Å; S1114-M1118 PolarHBondContact O-N 3.23Å; S1114-H1128 PolarHBondContact OG-CD2 2.58Å; S1114-H1128 PolarHBondContact OG-NE2 3.25Å |
| 1115 | T | 88.8 | Confident | 88.3 | Confident | 16 Ų | 16 | 37.6 Ų | 37.6 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -77.4 | -18.3 | 175.4 | 70 | 0 | 0 | 0 | 0 | 113.9 | R298 W1094 L1097 Q1098 S1112 S1113 | R298-T1115 PolarHBondContact NH1-O 3.26Å; R298-T1115 VanDerWaalsContact NH1-O 3.09Å; R298-T1115 PolarHBondContact NH2-O 3.14Å; R298-T1115 VanDerWaalsContact NH2-O 3.12Å; W1094-T1115 HydrophobicContact CD2-CG2 4.36Å; W1094-T1115 HydrophobicContact CG-CG2 4.28Å; L1097-T1115 HydrophobicContact CB-CG2 3.62Å; L1097-T1115 HydrophobicContact CD1-CG2 4.38Å; Q1098-T1115 HydrophobicContact CG-CG2 4.27Å; S1112-T1115 PolarHBondContact O-N 2.91Å; S1112-T1115 VanDerWaalsContact O-N 3.12Å; S1112-T1115 PolarHBondContact O-OG1 2.72Å; S1113-T1115 PolarHBondContact O-N 3.15Å |
| 1116 | R | 86.3 | Confident | 88.1 | Confident | 139 Ų | 139 | 38.1 Ų | 38.1 | 53% | 0.525 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -81.6 | -41 | 172.6 | -54.3 | -178.4 | -178.7 | -172.9 | -1.2 | 110.7 | R298 K319 S1113 S1114 | R298-R1116 PolarHBondContact NH1-O 2.69Å; K319-R1116 HydrophobicContact CB-CB 3.81Å; K319-R1116 HydrophobicContact CB-CG 4.41Å; K319-R1116 HydrophobicContact CG-CB 4.26Å; K319-R1116 HydrophobicContact CG-CG 4.4Å; K319-R1116 PolarHBondContact N-O 3.16Å; S1113-R1116 WeakPolarHBondContact O-CA 3.24Å; S1113-R1116 VanDerWaalsContact O-CB 3.26Å; S1113-R1116 WeakPolarHBondContact O-CB 3.43Å; S1113-R1116 PolarHBondContact O-N 2.84Å; S1114-R1116 VanDerWaalsContact C-N 3.34Å |
| 1117 | E | 84.8 | Confident | 88 | Confident | 49 Ų | 49 | 36.2 Ų | 36.2 | 23% | 0.229 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.8 | -50.9 | 176.7 | -64.7 | 163.7 | -134.2 | 0 | 0 | 110.9 | P315 L318 S1113 | P315-E1117 HydrophobicContact CB-CG 3.67Å; P315-E1117 WeakPolarHBondContact O-CG 3.43Å; L318-E1117 WeakPolarHBondContact CD1-O 3.46Å; S1113-E1117 PolarHBondContact O-N 3.13Å |
| 1118 | M | 90.1 | Very high | 88.2 | Confident | 15 Ų | 15 | 36.4 Ų | 36.4 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | trans | -119.6 | 150.2 | -165.5 | -54.7 | 170.8 | -160.2 | 0 | 0 | 112.9 | R298 W1094 S1114 E1122 K1124 F1125 | R298-M1118 VanDerWaalsContact NH1-C 3.26Å; R298-M1118 PolarHBondContact NH1-O 3.2Å; W1094-M1118 PolarHBondContact NE1-O 3.36Å; S1114-M1118 WeakPolarHBondContact O-CB 3.37Å; S1114-M1118 PolarHBondContact O-N 3.23Å; M1118-E1122 WeakPolarHBondContact CA-OE2 3.4Å; M1118-E1122 WeakPolarHBondContact CB-OE2 3.47Å; M1118-E1122 WeakPolarHBondContact CG-OE2 3.4Å; M1118-K1124 HydrophobicContact CE-CD 4.16Å; M1118-K1124 HydrophobicContact CE-CG 3.96Å; M1118-K1124 HydrophobicContact SD-CB 4.15Å; M1118-K1124 HydrophobicContact SD-CD 4.47Å; M1118-K1124 HydrophobicContact SD-CG 4Å; M1118-F1125 HydrophobicContact CB-CB 3.97Å; M1118-F1125 HydrophobicContact CB-CD2 4.41Å; M1118-F1125 VanDerWaalsContact SD-CA 3.52Å; M1118-F1125 HydrophobicContact SD-CB 3.9Å; M1118-F1125 HydrophobicContact SD-CD2 4.38Å; M1118-F1125 PolarHBondContact SD-N 2.89Å | ||
| 1119 | T | 89.2 | Confident | 88.3 | Confident | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | trans | -91.7 | 161.1 | 172.8 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | E254 G1121 E1122 | E254-T1119 WeakPolarHBondContact OE2-CB 3.39Å; E254-T1119 PolarHBondContact OE2-OG1 2.99Å; T1119-G1121 VanDerWaalsContact C-N 3.27Å; T1119-G1121 PolarHBondContact O-N 3.34Å; T1119-E1122 VanDerWaalsContact N-CD 3.32Å; T1119-E1122 PolarHBondContact N-OE1 2.73Å; T1119-E1122 PolarHBondContact O-N 2.94Å; T1119-E1122 WeakPolarHBondContact OG1-CG 3.43Å; T1119-E1122 PolarHBondContact OG1-OE1 3.4Å | ||
| 1120 | P | 87.9 | Confident | 88.2 | Confident | 42 Ų | 42 | 28.9 Ų | 28.9 | 27% | 0.273 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -15.2 | -173 | 26.6 | -33.5 | 0 | 0 | 0 | 114.7 | Q1091 W1094 | Q1091-P1120 HydrophobicContact CG-CB 4.41Å; Q1091-P1120 VanDerWaalsContact CG-O 3.31Å; Q1091-P1120 WeakPolarHBondContact CG-O 3.15Å; W1094-P1120 HydrophobicContact CB-CB 4.04Å; W1094-P1120 HydrophobicContact CD2-CB 3.69Å; W1094-P1120 HydrophobicContact CD2-CG 4.08Å; W1094-P1120 HydrophobicContact CE3-CB 3.85Å; W1094-P1120 HydrophobicContact CE3-CG 3.97Å; W1094-P1120 HydrophobicContact CG-CB 3.77Å; W1094-P1120 HydrophobicContact CH2-CG 4.41Å; W1094-P1120 HydrophobicContact CZ3-CB 4.5Å; W1094-P1120 HydrophobicContact CZ3-CG 4.12Å |
| 1121 | G | 85.8 | Confident | 87.9 | Confident | 22 Ų | 22 | 31 Ų | 31 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -6.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E254 T1119 | E254-G1121 VanDerWaalsContact OE2-CA 3.24Å; E254-G1121 WeakPolarHBondContact OE2-CA 3.39Å; E254-G1121 PolarHBondContact OE2-N 2.73Å; T1119-G1121 VanDerWaalsContact C-N 3.27Å; T1119-G1121 PolarHBondContact O-N 3.34Å |
| 1122 | E | 89 | Confident | 87.8 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | trans | -72.5 | 136 | -178.4 | -78.9 | 168.7 | -140.5 | 0 | 0 | 112.7 | K189 S252 E254 M1118 T1119 K1124 F1125 S1126 | K189-E1122 IonicContact NZ-OE1 2.9Å; K189-E1122 PolarHBondContact NZ-OE1 2.94Å; S252-E1122 VanDerWaalsContact O-CD 3.23Å; S252-E1122 WeakPolarHBondContact O-CG 3.35Å; E254-E1122 HydrophobicContact CB-CG 4.49Å; M1118-E1122 WeakPolarHBondContact CA-OE2 3.4Å; M1118-E1122 WeakPolarHBondContact CB-OE2 3.47Å; M1118-E1122 WeakPolarHBondContact CG-OE2 3.4Å; T1119-E1122 VanDerWaalsContact N-CD 3.32Å; T1119-E1122 PolarHBondContact N-OE1 2.73Å; T1119-E1122 PolarHBondContact O-N 2.94Å; T1119-E1122 WeakPolarHBondContact OG1-CG 3.43Å; T1119-E1122 PolarHBondContact OG1-OE1 3.4Å; E1122-K1124 VanDerWaalsContact C-N 3.3Å; E1122-F1125 PolarHBondContact O-N 2.83Å; E1122-S1126 PolarHBondContact O-N 3.32Å; E1122-S1126 PolarHBondContact O-OG 2.8Å | ||
| 1123 | I | 84.5 | Confident | 87.8 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 5% | 0.051 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.2 | -37.9 | 172.3 | -58.1 | 180 | 0 | 0 | 0 | 109.4 | T251 Q852 F917 F1125 S1126 V1127 | T251-I1123 HydrophobicContact CG2-CB 4.46Å; T251-I1123 HydrophobicContact CG2-CG2 4.35Å; T251-I1123 PolarHBondContact O-N 3.21Å; Q852-I1123 HydrophobicContact CG-CD1 4.16Å; F917-I1123 HydrophobicContact CE2-CG2 3.79Å; F917-I1123 HydrophobicContact CZ-CG2 3.52Å; I1123-F1125 PolarHBondContact O-N 2.84Å; I1123-S1126 WeakPolarHBondContact O-CA 3.39Å; I1123-S1126 WeakPolarHBondContact O-CB 3.37Å; I1123-S1126 PolarHBondContact O-N 2.84Å; I1123-V1127 HydrophobicContact CG2-CG2 4.12Å; I1123-V1127 WeakPolarHBondContact O-CG2 3.32Å; I1123-V1127 PolarHBondContact O-N 3.4Å |
| 1124 | K | 86 | Confident | 87.7 | Confident | 59 Ų | 59 | 26.7 Ų | 26.7 | 26% | 0.257 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -51.3 | -40.5 | 176.4 | -161.6 | 176.9 | -174.1 | -179.3 | 0 | 112.4 | D188 T251 M1118 E1122 H1128 | D188-K1124 IonicContact OD2-NZ 2.72Å; D188-K1124 PolarHBondContact OD2-NZ 3.1Å; T251-K1124 PolarHBondContact O-N 3.42Å; M1118-K1124 HydrophobicContact CE-CD 4.16Å; M1118-K1124 HydrophobicContact CE-CG 3.96Å; M1118-K1124 HydrophobicContact SD-CB 4.15Å; M1118-K1124 HydrophobicContact SD-CD 4.47Å; M1118-K1124 HydrophobicContact SD-CG 4Å; E1122-K1124 VanDerWaalsContact C-N 3.3Å; K1124-H1128 PolarHBondContact O-N 2.81Å |
| 1125 | F | 89.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.2 | -44.8 | 174.4 | -179.9 | -95.7 | 0 | 0 | 0 | 112.3 | Y1090 V1093 W1094 L1097 M1118 E1122 I1123 V1127 H1128 V1129 | Y1090-F1125 WeakPolarHBondContact O-CE1 3.23Å; V1093-F1125 HydrophobicContact CG1-CZ 4.23Å; W1094-F1125 HydrophobicContact CB-CD1 4.32Å; W1094-F1125 HydrophobicContact CB-CE1 3.69Å; W1094-F1125 HydrophobicContact CB-CE2 4.45Å; W1094-F1125 HydrophobicContact CB-CZ 3.77Å; W1094-F1125 AromaticContact CD1-CD2 3.8Å; W1094-F1125 AromaticContact CD1-CE2 3.74Å; W1094-F1125 AromaticContact CD1-CZ 3.92Å; W1094-F1125 HydrophobicContact CG-CE1 4.36Å; W1094-F1125 HydrophobicContact CG-CE2 4.46Å; W1094-F1125 HydrophobicContact CG-CZ 4.25Å; L1097-F1125 HydrophobicContact CD1-CE2 3.78Å; L1097-F1125 HydrophobicContact CD1-CZ 3.7Å; M1118-F1125 HydrophobicContact CB-CB 3.97Å; M1118-F1125 HydrophobicContact CB-CD2 4.41Å; M1118-F1125 VanDerWaalsContact SD-CA 3.52Å; M1118-F1125 HydrophobicContact SD-CB 3.9Å; M1118-F1125 HydrophobicContact SD-CD2 4.38Å; M1118-F1125 PolarHBondContact SD-N 2.89Å; E1122-F1125 PolarHBondContact O-N 2.83Å; I1123-F1125 PolarHBondContact O-N 2.84Å; F1125-V1127 VanDerWaalsContact C-N 3.33Å; F1125-V1127 PolarHBondContact O-N 3.39Å; F1125-H1128 WeakPolarHBondContact O-CB 3.46Å; F1125-H1128 PolarHBondContact O-N 2.66Å; F1125-V1129 HydrophobicContact CD1-CG2 4.08Å; F1125-V1129 HydrophobicContact CE1-CG2 3.47Å; F1125-V1129 VanDerWaalsContact CE1-CG2 3.47Å; F1125-V1129 HydrophobicContact CE2-CG2 4.36Å; F1125-V1129 HydrophobicContact CZ-CG2 3.64Å; F1125-V1129 WeakPolarHBondContact O-CG2 3.46Å; F1125-V1129 PolarHBondContact O-N 3.37Å |
| 1126 | S | 87.9 | Confident | 87.4 | Confident | 16 Ų | 16 | 31.1 Ų | 31.1 | 11% | 0.112 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 178.5 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | Y1090 E1122 I1123 H1128 V1129 E1130 | Y1090-S1126 WeakPolarHBondContact CB-OG 3.36Å; Y1090-S1126 WeakPolarHBondContact CD2-OG 3.49Å; E1122-S1126 PolarHBondContact O-N 3.32Å; E1122-S1126 PolarHBondContact O-OG 2.8Å; I1123-S1126 WeakPolarHBondContact O-CA 3.39Å; I1123-S1126 WeakPolarHBondContact O-CB 3.37Å; I1123-S1126 PolarHBondContact O-N 2.84Å; S1126-H1128 VanDerWaalsContact C-N 3.31Å; S1126-H1128 PolarHBondContact O-N 3.22Å; S1126-V1129 PolarHBondContact O-N 3.39Å; S1126-E1130 PolarHBondContact O-N 3.34Å |
| 1127 | V | 85.5 | Confident | 87.2 | Confident | 44 Ų | 44 | 27.1 Ų | 27.1 | 27% | 0.267 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -58.4 | -41.5 | 171 | 177 | 0 | 0 | 0 | 0 | 111.3 | H854 F917 I1123 F1125 E1130 S1131 | H854-V1127 WeakPolarHBondContact NE2-CG2 3.38Å; F917-V1127 HydrophobicContact CE1-CB 4.3Å; F917-V1127 HydrophobicContact CE1-CG2 3.56Å; F917-V1127 HydrophobicContact CZ-CG2 3.6Å; I1123-V1127 HydrophobicContact CG2-CG2 4.12Å; I1123-V1127 WeakPolarHBondContact O-CG2 3.32Å; I1123-V1127 PolarHBondContact O-N 3.4Å; F1125-V1127 VanDerWaalsContact C-N 3.33Å; F1125-V1127 PolarHBondContact O-N 3.39Å; V1127-E1130 PolarHBondContact O-N 3.21Å; V1127-S1131 WeakPolarHBondContact O-CB 3.46Å; V1127-S1131 PolarHBondContact O-N 3.12Å |
| 1128 | H | 88 | Confident | 87.4 | Confident | 62 Ų | 62 | 27.7 Ų | 27.7 | 29% | 0.287 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -69.7 | -41.6 | -178.2 | -168.2 | 50.9 | 0 | 0 | 0 | 112.4 | L1110 S1114 K1124 F1125 S1126 E1130 S1131 V1132 | L1110-H1128 WeakPolarHBondContact CD1-CD2 3.47Å; S1114-H1128 PolarHBondContact OG-CD2 2.58Å; S1114-H1128 PolarHBondContact OG-NE2 3.25Å; K1124-H1128 PolarHBondContact O-N 2.81Å; F1125-H1128 WeakPolarHBondContact O-CB 3.46Å; F1125-H1128 PolarHBondContact O-N 2.66Å; S1126-H1128 VanDerWaalsContact C-N 3.31Å; S1126-H1128 PolarHBondContact O-N 3.22Å; H1128-E1130 VanDerWaalsContact C-N 3.34Å; H1128-E1130 PolarHBondContact O-N 2.77Å; H1128-S1131 PolarHBondContact O-N 2.86Å; H1128-V1132 PolarHBondContact O-N 3.38Å |
| 1129 | V | 90.8 | Very high | 87.3 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | F1089 Y1090 V1093 L1110 F1125 S1126 S1131 V1132 L1133 | F1089-V1129 HydrophobicContact CE1-CG1 4.01Å; Y1090-V1129 HydrophobicContact CD1-CB 3.82Å; Y1090-V1129 HydrophobicContact CD1-CG1 3.88Å; Y1090-V1129 HydrophobicContact CD1-CG2 4.19Å; Y1090-V1129 HydrophobicContact CE1-CB 4.11Å; Y1090-V1129 HydrophobicContact CE1-CG1 4.05Å; V1093-V1129 HydrophobicContact CB-CG2 4.45Å; V1093-V1129 HydrophobicContact CG1-CG1 4.25Å; V1093-V1129 HydrophobicContact CG1-CG2 3.9Å; V1093-V1129 HydrophobicContact CG2-CG1 4.47Å; L1110-V1129 HydrophobicContact CD2-CG2 4.01Å; F1125-V1129 HydrophobicContact CD1-CG2 4.08Å; F1125-V1129 HydrophobicContact CE1-CG2 3.47Å; F1125-V1129 VanDerWaalsContact CE1-CG2 3.47Å; F1125-V1129 HydrophobicContact CE2-CG2 4.36Å; F1125-V1129 HydrophobicContact CZ-CG2 3.64Å; F1125-V1129 WeakPolarHBondContact O-CG2 3.46Å; F1125-V1129 PolarHBondContact O-N 3.37Å; S1126-V1129 PolarHBondContact O-N 3.39Å; V1129-S1131 PolarHBondContact O-N 3.35Å; V1129-V1132 PolarHBondContact O-N 3.16Å; V1129-L1133 HydrophobicContact CG1-CD1 4.02Å; V1129-L1133 PolarHBondContact O-N 2.82Å; V1129-L1133 VanDerWaalsContact O-N 3.13Å |
| 1130 | E | 88.5 | Confident | 87.4 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.4 | -83.4 | -66.2 | 120.1 | 0 | 0 | 112.5 | F917 Y1090 S1126 V1127 H1128 V1132 L1133 N1134 R1142 | F917-E1130 HydrophobicContact CD1-CG 4.01Å; Y1090-E1130 HydrophobicContact CE1-CG 3.92Å; Y1090-E1130 WeakPolarHBondContact OH-CG 3.35Å; Y1090-E1130 PolarHBondContact OH-OE1 2.84Å; S1126-E1130 PolarHBondContact O-N 3.34Å; V1127-E1130 PolarHBondContact O-N 3.21Å; H1128-E1130 VanDerWaalsContact C-N 3.34Å; H1128-E1130 PolarHBondContact O-N 2.77Å; E1130-V1132 PolarHBondContact O-N 2.94Å; E1130-L1133 PolarHBondContact O-N 3.37Å; E1130-L1133 VanDerWaalsContact O-N 3.17Å; E1130-N1134 WeakPolarHBondContact O-CB 3.22Å; E1130-N1134 PolarHBondContact O-N 2.84Å; E1130-N1134 PolarHBondContact O-ND2 3.38Å; E1130-N1134 PolarHBondContact OE2-ND2 3.28Å; E1130-R1142 IonicContact OE1-CZ 3.56Å; E1130-R1142 IonicContact OE1-NH2 2.82Å; E1130-R1142 PolarHBondContact OE1-NH2 2.71Å; E1130-R1142 IonicContact OE2-NH2 2.75Å; E1130-R1142 PolarHBondContact OE2-NH2 2.98Å |
| 1131 | S | 86.6 | Confident | 87.6 | Confident | 50 Ų | 50 | 27 Ų | 27 | 35% | 0.35 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60 | -30.7 | 177.7 | 179.2 | 0 | 0 | 0 | 0 | 112.8 | V1127 H1128 V1129 | V1127-S1131 WeakPolarHBondContact O-CB 3.46Å; V1127-S1131 PolarHBondContact O-N 3.12Å; H1128-S1131 PolarHBondContact O-N 2.86Å; V1129-S1131 PolarHBondContact O-N 3.35Å |
| 1132 | V | 89.3 | Confident | 88 | Confident | 8 Ų | 8 | 26 Ų | 26 | 5% | 0.048 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -75.8 | -48 | 172.6 | 174.3 | 0 | 0 | 0 | 0 | 111 | V1105 F1108 L1110 H1128 V1129 E1130 N1134 R1135 | V1105-V1132 HydrophobicContact CB-CG1 3.87Å; V1105-V1132 HydrophobicContact CG2-CG1 4.03Å; F1108-V1132 HydrophobicContact CB-CG1 4.48Å; L1110-V1132 HydrophobicContact CB-CG2 4.2Å; L1110-V1132 HydrophobicContact CD1-CG2 4.49Å; H1128-V1132 PolarHBondContact O-N 3.38Å; V1129-V1132 PolarHBondContact O-N 3.16Å; E1130-V1132 PolarHBondContact O-N 2.94Å; V1132-N1134 PolarHBondContact O-N 3.02Å; V1132-R1135 PolarHBondContact O-N 3.41Å |
| 1133 | L | 89.6 | Confident | 88.1 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -35.1 | -178.7 | -69.1 | 171.2 | 0 | 0 | 0 | 114.1 | F1089 V1105 V1129 E1130 R1135 V1136 V1146 I1149 | F1089-L1133 HydrophobicContact CE1-CD1 3.93Å; F1089-L1133 HydrophobicContact CZ-CD1 4.16Å; V1105-L1133 HydrophobicContact CG2-CD2 4.35Å; V1129-L1133 HydrophobicContact CG1-CD1 4.02Å; V1129-L1133 PolarHBondContact O-N 2.82Å; V1129-L1133 VanDerWaalsContact O-N 3.13Å; E1130-L1133 PolarHBondContact O-N 3.37Å; E1130-L1133 VanDerWaalsContact O-N 3.17Å; L1133-R1135 PolarHBondContact O-N 2.87Å; L1133-V1136 PolarHBondContact O-N 3.12Å; L1133-V1146 HydrophobicContact CD1-CG2 4.23Å; L1133-I1149 HydrophobicContact CD2-CD1 3.83Å |
| 1134 | N | 85.2 | Confident | 88.5 | Confident | 10 Ų | 10 | 26.5 Ų | 26.5 | 5% | 0.053 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -11.1 | -177.2 | -79.9 | -79.2 | 0 | 0 | 0 | 113.9 | R920 N1083 E1130 V1132 V1136 | R920-N1134 VanDerWaalsContact CD-OD1 3.3Å; R920-N1134 WeakPolarHBondContact CD-OD1 3.41Å; R920-N1134 PolarHBondContact NH1-O 2.85Å; R920-N1134 PolarHBondContact NH1-OD1 2.85Å; R920-N1134 PolarHBondContact NH2-O 2.7Å; N1083-N1134 PolarHBondContact ND2-OD1 3.07Å; N1083-N1134 PolarHBondContact OD1-OD1 3.12Å; N1083-N1134 VanDerWaalsContact OD1-OD1 3.08Å; E1130-N1134 WeakPolarHBondContact O-CB 3.22Å; E1130-N1134 PolarHBondContact O-N 2.84Å; E1130-N1134 PolarHBondContact O-ND2 3.38Å; E1130-N1134 PolarHBondContact OE2-ND2 3.28Å; V1132-N1134 PolarHBondContact O-N 3.02Å; N1134-V1136 PolarHBondContact O-N 2.91Å |
| 1135 | R | 83.9 | Confident | 88.9 | Confident | 110 Ų | 110 | 23.7 Ų | 23.7 | 42% | 0.415 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -19.5 | 171.7 | -68.9 | -162.2 | 179 | 98.2 | 4.1 | 113.4 | F1108 V1132 L1133 P1137 | F1108-R1135 VanDerWaalsContact CD1-NH1 3.32Å; F1108-R1135 VanDerWaalsContact CD2-CD 3.5Å; F1108-R1135 VanDerWaalsContact CE2-CD 3.44Å; V1132-R1135 PolarHBondContact O-N 3.41Å; L1133-R1135 PolarHBondContact O-N 2.87Å; R1135-P1137 VanDerWaalsContact O-CD 3.28Å; R1135-P1137 WeakPolarHBondContact O-CD 3.35Å |
| 1136 | V | 87.6 | Confident | 89.1 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | trans | -75.1 | 116.4 | 173.5 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | V1105 E1106 L1133 N1134 Y1141 R1142 L1145 | V1105-V1136 HydrophobicContact CG1-CG2 3.79Å; E1106-V1136 HydrophobicContact CG-CG2 3.99Å; L1133-V1136 PolarHBondContact O-N 3.12Å; N1134-V1136 PolarHBondContact O-N 2.91Å; V1136-Y1141 HydrophobicContact CG1-CD1 3.57Å; V1136-Y1141 HydrophobicContact CG1-CE1 4.27Å; V1136-Y1141 HydrophobicContact CG1-CG 4.24Å; V1136-R1142 HydrophobicContact CB-CB 3.95Å; V1136-R1142 HydrophobicContact CB-CG 4.18Å; V1136-R1142 HydrophobicContact CG1-CB 3.79Å; V1136-L1145 HydrophobicContact CB-CD1 4.39Å; V1136-L1145 HydrophobicContact CG1-CD1 4.12Å; V1136-L1145 HydrophobicContact CG2-CD1 3.51Å | ||
| 1137 | P | 82.1 | Confident | 89.3 | Confident | 55 Ų | 55 | 24 Ų | 24 | 36% | 0.357 | 12% | 0.124 | S | C | . | . | trans | -85 | -24.5 | -173.5 | 31.1 | -31.2 | 0 | 0 | 0 | 113.4 | R1135 P1139 | R1135-P1137 VanDerWaalsContact O-CD 3.28Å; R1135-P1137 WeakPolarHBondContact O-CD 3.35Å; P1137-P1139 WeakPolarHBondContact O-CD 3.49Å | ||
| 1138 | Q | 87.3 | Confident | 89.7 | Confident | 60 Ų | 60 | 22 Ų | 22 | 28% | 0.28 | 11% | 0.111 | S | C | . | . | trans | -82.9 | 117.9 | 176.6 | -58.5 | 78.8 | 9.2 | 0 | 0 | 110.7 | E1140 Y1141 R1142 A1199 | Q1138-E1140 PolarHBondContact O-N 2.77Å; Q1138-Y1141 PolarHBondContact O-N 3.44Å; Q1138-R1142 WeakPolarHBondContact O-CB 3.47Å; Q1138-R1142 PolarHBondContact O-N 3.23Å; Q1138-A1199 HydrophobicContact CG-CB 4.37Å | ||
| 1139 | P | 89.3 | Confident | 90 | Very high | 24 Ų | 24 | 19.2 Ų | 19.2 | 16% | 0.156 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.5 | -45.6 | -179 | -30.1 | 39.3 | 0 | 0 | 0 | 114.3 | R1077 A1081 P1137 Y1141 R1142 Q1143 | R1077-P1139 HydrophobicContact CG-CB 4.26Å; R1077-P1139 WeakPolarHBondContact O-CB 3.36Å; A1081-P1139 HydrophobicContact CB-CB 4.08Å; A1081-P1139 HydrophobicContact CB-CG 4.05Å; P1137-P1139 WeakPolarHBondContact O-CD 3.49Å; P1139-Y1141 VanDerWaalsContact C-N 3.35Å; P1139-Y1141 PolarHBondContact O-N 2.8Å; P1139-R1142 PolarHBondContact O-N 2.89Å; P1139-Q1143 PolarHBondContact O-N 2.8Å |
| 1140 | E | 90.4 | Very high | 89.9 | Confident | 20 Ų | 20 | 19.9 Ų | 19.9 | 9% | 0.093 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | -178.7 | -63.3 | 92.7 | 129.5 | 0 | 0 | 112.6 | Q1073 R1076 R1077 Q1138 Q1143 L1144 Y1207 | Q1073-E1140 HydrophobicContact CG-CG 4.18Å; R1076-E1140 HydrophobicContact CB-CB 4.35Å; R1076-E1140 HydrophobicContact CB-CG 4.3Å; R1077-E1140 HydrophobicContact CB-CG 3.93Å; R1077-E1140 IonicContact CZ-OE1 3.91Å; R1077-E1140 IonicContact NE-OE1 2.89Å; R1077-E1140 PolarHBondContact NE-OE1 2.96Å; R1077-E1140 IonicContact NE-OE2 3.94Å; R1077-E1140 IonicContact NH2-OE1 2.74Å; R1077-E1140 PolarHBondContact NH2-OE1 2.85Å; Q1138-E1140 PolarHBondContact O-N 2.77Å; E1140-Q1143 PolarHBondContact O-N 3.21Å; E1140-L1144 PolarHBondContact O-N 2.99Å; E1140-L1144 VanDerWaalsContact O-N 3.11Å; E1140-Y1207 HydrophobicContact CB-CD1 3.63Å; E1140-Y1207 HydrophobicContact CB-CE1 3.73Å; E1140-Y1207 HydrophobicContact CB-CG 4.22Å |
| 1141 | Y | 93.3 | Very high | 89.9 | Confident | 6 Ų | 6 | 20.2 Ų | 20.2 | 2% | 0.024 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.3 | -43.8 | 178 | -173.2 | -136.9 | 0 | 0 | 0 | 111.2 | E1106 V1136 Q1138 P1139 Q1143 L1144 L1145 V1173 I1202 Y1207 | E1106-Y1141 HydrophobicContact CG-CE1 4.34Å; E1106-Y1141 VanDerWaalsContact OE1-CE1 3.25Å; E1106-Y1141 WeakPolarHBondContact OE1-CE1 3.27Å; E1106-Y1141 PolarHBondContact OE1-OH 2.92Å; V1136-Y1141 HydrophobicContact CG1-CD1 3.57Å; V1136-Y1141 HydrophobicContact CG1-CE1 4.27Å; V1136-Y1141 HydrophobicContact CG1-CG 4.24Å; Q1138-Y1141 PolarHBondContact O-N 3.44Å; P1139-Y1141 VanDerWaalsContact C-N 3.35Å; P1139-Y1141 PolarHBondContact O-N 2.8Å; Y1141-Q1143 PolarHBondContact O-N 3.47Å; Y1141-L1144 PolarHBondContact O-N 3.13Å; Y1141-L1144 VanDerWaalsContact O-N 3.11Å; Y1141-L1145 HydrophobicContact CD1-CD1 4.12Å; Y1141-L1145 HydrophobicContact CD2-CD1 4.42Å; Y1141-L1145 HydrophobicContact CD2-CG 4.47Å; Y1141-L1145 HydrophobicContact CE1-CD1 3.89Å; Y1141-L1145 HydrophobicContact CE2-CD1 4.21Å; Y1141-L1145 HydrophobicContact CE2-CD2 4.36Å; Y1141-L1145 HydrophobicContact CE2-CG 4.17Å; Y1141-L1145 HydrophobicContact CG-CD1 4.34Å; Y1141-L1145 WeakPolarHBondContact O-CG 3.35Å; Y1141-L1145 PolarHBondContact O-N 2.97Å; Y1141-V1173 HydrophobicContact CE2-CB 4.5Å; Y1141-V1173 HydrophobicContact CE2-CG1 4.05Å; Y1141-I1202 HydrophobicContact CD2-CG1 4.23Å; Y1141-I1202 HydrophobicContact CE2-CG1 4.24Å; Y1141-Y1207 VanDerWaalsContact CB-OH 3.31Å; Y1141-Y1207 WeakPolarHBondContact CB-OH 3.4Å; Y1141-Y1207 WeakPolarHBondContact CD2-OH 3.41Å |
| 1142 | R | 92.5 | Very high | 90 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56 | -32 | 172.6 | -171.7 | -113 | -174.1 | -80.4 | 3.6 | 112 | G1080 N1083 E1130 V1136 Q1138 P1139 V1146 | G1080-R1142 WeakPolarHBondContact O-CD 3.44Å; N1083-R1142 VanDerWaalsContact OD1-CZ 3.24Å; N1083-R1142 PolarHBondContact OD1-NE 2.94Å; N1083-R1142 PolarHBondContact OD1-NH2 3.24Å; E1130-R1142 IonicContact OE1-CZ 3.56Å; E1130-R1142 IonicContact OE1-NH2 2.82Å; E1130-R1142 PolarHBondContact OE1-NH2 2.71Å; E1130-R1142 IonicContact OE2-NH2 2.75Å; E1130-R1142 PolarHBondContact OE2-NH2 2.98Å; V1136-R1142 HydrophobicContact CB-CB 3.95Å; V1136-R1142 HydrophobicContact CB-CG 4.18Å; V1136-R1142 HydrophobicContact CG1-CB 3.79Å; Q1138-R1142 WeakPolarHBondContact O-CB 3.47Å; Q1138-R1142 PolarHBondContact O-N 3.23Å; P1139-R1142 PolarHBondContact O-N 2.89Å; R1142-V1146 WeakPolarHBondContact O-CG2 3.29Å; R1142-V1146 PolarHBondContact O-N 3.2Å |
| 1143 | Q | 92.6 | Very high | 89.8 | Confident | 21 Ų | 21 | 18 Ų | 18 | 10% | 0.098 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -77.6 | -39.8 | 175.1 | -162.8 | 63.2 | 12.2 | 0 | 0 | 113.4 | R1076 P1139 E1140 Y1141 L1145 V1146 E1147 | R1076-Q1143 HydrophobicContact CB-CB 4.15Å; R1076-Q1143 HydrophobicContact CB-CG 4.29Å; R1076-Q1143 HydrophobicContact CG-CB 4.33Å; R1076-Q1143 HydrophobicContact CG-CG 4.1Å; P1139-Q1143 PolarHBondContact O-N 2.8Å; E1140-Q1143 PolarHBondContact O-N 3.21Å; Y1141-Q1143 PolarHBondContact O-N 3.47Å; Q1143-L1145 VanDerWaalsContact C-N 3.27Å; Q1143-L1145 PolarHBondContact O-N 3.34Å; Q1143-V1146 WeakPolarHBondContact O-CB 3.3Å; Q1143-V1146 PolarHBondContact O-N 3.08Å; Q1143-V1146 VanDerWaalsContact O-N 3.14Å; Q1143-E1147 PolarHBondContact O-N 3.31Å |
| 1144 | L | 93.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.2 | -34.9 | 172.4 | -73.8 | -172.9 | 0 | 0 | 0 | 112.4 | E1140 Y1141 V1146 E1147 A1148 V1173 I1202 L1206 Y1207 T1217 | E1140-L1144 PolarHBondContact O-N 2.99Å; E1140-L1144 VanDerWaalsContact O-N 3.11Å; Y1141-L1144 PolarHBondContact O-N 3.13Å; Y1141-L1144 VanDerWaalsContact O-N 3.11Å; L1144-V1146 VanDerWaalsContact C-N 3.34Å; L1144-E1147 PolarHBondContact O-N 2.64Å; L1144-A1148 WeakPolarHBondContact O-CB 3.33Å; L1144-A1148 PolarHBondContact O-N 3.36Å; L1144-V1173 HydrophobicContact CB-CG1 4.18Å; L1144-V1173 HydrophobicContact CD1-CG1 4.17Å; L1144-I1202 HydrophobicContact CD1-CG2 4.1Å; L1144-L1206 HydrophobicContact CD1-CD2 4.31Å; L1144-Y1207 HydrophobicContact CD1-CD1 3.6Å; L1144-Y1207 HydrophobicContact CD1-CE1 3.35Å; L1144-Y1207 HydrophobicContact CG-CD1 4.01Å; L1144-Y1207 HydrophobicContact CG-CE1 3.87Å; L1144-T1217 HydrophobicContact CD2-CG2 4.11Å |
| 1145 | L | 94.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.1 | -35.1 | 173.9 | -68.7 | 162.2 | 0 | 0 | 0 | 112 | V1105 V1136 Y1141 Q1143 A1148 I1149 V1169 V1173 | V1105-L1145 HydrophobicContact CG1-CD1 3.95Å; V1136-L1145 HydrophobicContact CB-CD1 4.39Å; V1136-L1145 HydrophobicContact CG1-CD1 4.12Å; V1136-L1145 HydrophobicContact CG2-CD1 3.51Å; Y1141-L1145 HydrophobicContact CD1-CD1 4.12Å; Y1141-L1145 HydrophobicContact CD2-CD1 4.42Å; Y1141-L1145 HydrophobicContact CD2-CG 4.47Å; Y1141-L1145 HydrophobicContact CE1-CD1 3.89Å; Y1141-L1145 HydrophobicContact CE2-CD1 4.21Å; Y1141-L1145 HydrophobicContact CE2-CD2 4.36Å; Y1141-L1145 HydrophobicContact CE2-CG 4.17Å; Y1141-L1145 HydrophobicContact CG-CD1 4.34Å; Y1141-L1145 WeakPolarHBondContact O-CG 3.35Å; Y1141-L1145 PolarHBondContact O-N 2.97Å; Q1143-L1145 VanDerWaalsContact C-N 3.27Å; Q1143-L1145 PolarHBondContact O-N 3.34Å; L1145-A1148 PolarHBondContact O-N 3.35Å; L1145-I1149 WeakPolarHBondContact O-CG1 3.48Å; L1145-I1149 PolarHBondContact O-N 3.39Å; L1145-V1169 HydrophobicContact CB-CG1 4.42Å; L1145-V1169 HydrophobicContact CD2-CB 4.23Å; L1145-V1169 HydrophobicContact CD2-CG1 3.71Å; L1145-V1173 HydrophobicContact CD2-CG2 3.87Å; L1145-V1173 HydrophobicContact CG-CG2 4.42Å |
| 1146 | V | 93.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.012 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.1 | -41.7 | 171 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | V1085 F1089 L1133 R1142 Q1143 L1144 A1148 I1149 L1150 | V1085-V1146 HydrophobicContact CG1-CG1 4.22Å; V1085-V1146 HydrophobicContact CG1-CG2 4.18Å; F1089-V1146 HydrophobicContact CE2-CG1 4.02Å; F1089-V1146 HydrophobicContact CZ-CG1 4.34Å; F1089-V1146 HydrophobicContact CZ-CG2 4.45Å; L1133-V1146 HydrophobicContact CD1-CG2 4.23Å; R1142-V1146 WeakPolarHBondContact O-CG2 3.29Å; R1142-V1146 PolarHBondContact O-N 3.2Å; Q1143-V1146 WeakPolarHBondContact O-CB 3.3Å; Q1143-V1146 PolarHBondContact O-N 3.08Å; Q1143-V1146 VanDerWaalsContact O-N 3.14Å; L1144-V1146 VanDerWaalsContact C-N 3.34Å; V1146-A1148 VanDerWaalsContact C-N 3.33Å; V1146-A1148 PolarHBondContact O-N 3.4Å; V1146-I1149 PolarHBondContact O-N 3.34Å; V1146-L1150 WeakPolarHBondContact O-CB 3.26Å; V1146-L1150 PolarHBondContact O-N 3.39Å |
| 1147 | E | 92.9 | Very high | 87.4 | Confident | 21 Ų | 21 | 21 Ų | 21 | 10% | 0.098 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 172.7 | -71.3 | 176.1 | -143.6 | 0 | 0 | 111.3 | R1076 Q1143 L1144 L1150 V1151 T1217 M1218 L1221 | R1076-E1147 IonicContact CZ-OE1 3.26Å; R1076-E1147 VanDerWaalsContact CZ-OE1 3.31Å; R1076-E1147 IonicContact CZ-OE2 2.75Å; R1076-E1147 IonicContact NE-OE1 3.57Å; R1076-E1147 PolarHBondContact NE-OE1 2.67Å; R1076-E1147 IonicContact NE-OE2 2.79Å; R1076-E1147 IonicContact NH2-OE1 3.55Å; R1076-E1147 PolarHBondContact NH2-OE1 3.38Å; R1076-E1147 IonicContact NH2-OE2 3.4Å; R1076-E1147 PolarHBondContact NH2-OE2 2.95Å; Q1143-E1147 PolarHBondContact O-N 3.31Å; L1144-E1147 PolarHBondContact O-N 2.64Å; E1147-L1150 WeakPolarHBondContact O-CB 3.45Å; E1147-L1150 PolarHBondContact O-N 3.37Å; E1147-V1151 PolarHBondContact O-N 2.95Å; E1147-T1217 WeakPolarHBondContact OE2-CB 3.28Å; E1147-T1217 PolarHBondContact OE2-OG1 3.27Å; E1147-M1218 HydrophobicContact CB-SD 3.99Å; E1147-M1218 HydrophobicContact CG-SD 4.32Å; E1147-L1221 HydrophobicContact CB-CD1 3.58Å |
| 1148 | A | 93.6 | Very high | 87 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.8 | -43.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1144 L1145 V1146 L1150 V1151 L1152 V1169 V1173 L1221 | L1144-A1148 WeakPolarHBondContact O-CB 3.33Å; L1144-A1148 PolarHBondContact O-N 3.36Å; L1145-A1148 PolarHBondContact O-N 3.35Å; V1146-A1148 VanDerWaalsContact C-N 3.33Å; V1146-A1148 PolarHBondContact O-N 3.4Å; A1148-L1150 VanDerWaalsContact C-N 3.32Å; A1148-V1151 WeakPolarHBondContact O-CB 3.34Å; A1148-V1151 PolarHBondContact O-N 3.07Å; A1148-L1152 PolarHBondContact O-N 2.85Å; A1148-V1169 HydrophobicContact CB-CG1 3.67Å; A1148-V1173 HydrophobicContact CB-CG2 3.76Å; A1148-L1221 HydrophobicContact CB-CD2 3.9Å |
| 1149 | I | 92.9 | Very high | 85.9 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 174.1 | -68.1 | 164.4 | 0 | 0 | 0 | 110.4 | F1089 V1093 L1103 V1105 L1133 L1145 V1146 V1151 L1152 T1153 V1169 | F1089-I1149 HydrophobicContact CE2-CB 3.98Å; F1089-I1149 HydrophobicContact CE2-CG2 3.57Å; F1089-I1149 HydrophobicContact CZ-CB 4.11Å; F1089-I1149 HydrophobicContact CZ-CD1 4.35Å; F1089-I1149 HydrophobicContact CZ-CG2 3.67Å; V1093-I1149 HydrophobicContact CG2-CG2 3.68Å; L1103-I1149 HydrophobicContact CD1-CG2 4.48Å; V1105-I1149 HydrophobicContact CG2-CD1 4.47Å; L1133-I1149 HydrophobicContact CD2-CD1 3.83Å; L1145-I1149 WeakPolarHBondContact O-CG1 3.48Å; L1145-I1149 PolarHBondContact O-N 3.39Å; V1146-I1149 PolarHBondContact O-N 3.34Å; I1149-V1151 VanDerWaalsContact C-N 3.31Å; I1149-V1151 PolarHBondContact O-N 3.17Å; I1149-L1152 WeakPolarHBondContact O-CB 3.38Å; I1149-L1152 PolarHBondContact O-N 3.44Å; I1149-L1152 VanDerWaalsContact O-N 3.13Å; I1149-T1153 HydrophobicContact CG2-CG2 4.44Å; I1149-T1153 WeakPolarHBondContact O-CG2 3.4Å; I1149-T1153 PolarHBondContact O-N 3.1Å; I1149-V1169 HydrophobicContact CD1-CG1 4.33Å; I1149-V1169 HydrophobicContact CD1-CG2 4.29Å; I1149-V1169 HydrophobicContact CG1-CB 4.45Å; I1149-V1169 HydrophobicContact CG1-CG1 3.78Å; I1149-V1169 HydrophobicContact CG1-CG2 3.79Å |
| 1150 | L | 89.5 | Confident | 84.9 | Confident | 16 Ų | 16 | 27.4 Ų | 27.4 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.5 | -40.6 | 176.6 | -171.2 | 70.4 | 0 | 0 | 0 | 111.7 | I1003 P1086 V1146 E1147 A1148 T1153 M1218 | I1003-L1150 HydrophobicContact CD1-CD2 3.9Å; P1086-L1150 HydrophobicContact CG-CD1 4.3Å; P1086-L1150 HydrophobicContact CG-CD2 4.17Å; V1146-L1150 WeakPolarHBondContact O-CB 3.26Å; V1146-L1150 PolarHBondContact O-N 3.39Å; E1147-L1150 WeakPolarHBondContact O-CB 3.45Å; E1147-L1150 PolarHBondContact O-N 3.37Å; A1148-L1150 VanDerWaalsContact C-N 3.32Å; L1150-T1153 PolarHBondContact O-N 3.28Å; L1150-T1153 PolarHBondContact O-OG1 2.98Å; L1150-M1218 HydrophobicContact CD2-CE 4.24Å |
| 1151 | V | 89.4 | Confident | 83.7 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 170.5 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | E1147 A1148 I1149 T1153 M1154 M1218 L1221 A1225 | E1147-V1151 PolarHBondContact O-N 2.95Å; A1148-V1151 WeakPolarHBondContact O-CB 3.34Å; A1148-V1151 PolarHBondContact O-N 3.07Å; I1149-V1151 VanDerWaalsContact C-N 3.31Å; I1149-V1151 PolarHBondContact O-N 3.17Å; V1151-T1153 PolarHBondContact O-N 3.23Å; V1151-M1154 WeakPolarHBondContact O-CB 3.13Å; V1151-M1154 WeakPolarHBondContact O-CG 3.48Å; V1151-M1154 PolarHBondContact O-N 3Å; V1151-M1218 HydrophobicContact CG2-CE 3.51Å; V1151-M1218 HydrophobicContact CG2-SD 3.96Å; V1151-L1221 HydrophobicContact CG2-CB 3.99Å; V1151-A1225 HydrophobicContact CG1-CB 3.66Å |
| 1152 | L | 88.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57 | -34.6 | 176.9 | -74.6 | 173 | 0 | 0 | 0 | 112.8 | L1103 A1148 I1149 M1154 L1155 I1167 V1169 I1172 A1225 V1229 | L1103-L1152 HydrophobicContact CD2-CD1 4.35Å; A1148-L1152 PolarHBondContact O-N 2.85Å; I1149-L1152 WeakPolarHBondContact O-CB 3.38Å; I1149-L1152 PolarHBondContact O-N 3.44Å; I1149-L1152 VanDerWaalsContact O-N 3.13Å; L1152-M1154 PolarHBondContact O-N 2.71Å; L1152-L1155 HydrophobicContact CD2-CD1 4.02Å; L1152-L1155 VanDerWaalsContact O-CB 3.29Å; L1152-L1155 WeakPolarHBondContact O-CB 3.33Å; L1152-L1155 PolarHBondContact O-N 3.15Å; L1152-I1167 HydrophobicContact CD1-CG2 3.75Å; L1152-I1167 HydrophobicContact CD2-CG2 4.06Å; L1152-V1169 HydrophobicContact CD1-CG2 4.17Å; L1152-I1172 HydrophobicContact CD1-CD1 3.77Å; L1152-I1172 HydrophobicContact CD2-CD1 3.78Å; L1152-I1172 HydrophobicContact CG-CD1 3.95Å; L1152-A1225 HydrophobicContact CD2-CB 4.34Å; L1152-V1229 HydrophobicContact CD2-CG2 4.02Å |
| 1153 | T | 84.6 | Confident | 82 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -66.5 | -15 | 177.2 | 65.2 | 0 | 0 | 0 | 0 | 114.3 | K1092 I1096 I1149 L1150 V1151 L1155 A1156 | K1092-T1153 HydrophobicContact CB-CG2 3.55Å; I1096-T1153 HydrophobicContact CG2-CG2 4.27Å; I1149-T1153 HydrophobicContact CG2-CG2 4.44Å; I1149-T1153 WeakPolarHBondContact O-CG2 3.4Å; I1149-T1153 PolarHBondContact O-N 3.1Å; L1150-T1153 PolarHBondContact O-N 3.28Å; L1150-T1153 PolarHBondContact O-OG1 2.98Å; V1151-T1153 PolarHBondContact O-N 3.23Å; T1153-L1155 PolarHBondContact O-N 3.29Å; T1153-A1156 WeakPolarHBondContact O-CB 3.3Å; T1153-A1156 PolarHBondContact O-N 3.25Å; T1153-A1156 VanDerWaalsContact O-N 3.13Å |
| 1154 | M | 80.6 | Confident | 80.8 | Confident | 54 Ų | 54 | 38.7 Ų | 38.7 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -66.9 | -26.3 | 171 | -56.5 | -168 | -172.8 | 0 | 0 | 111.9 | I1003 L1006 V1151 L1152 A1156 D1157 M1218 | I1003-M1154 HydrophobicContact CG2-CE 4.22Å; L1006-M1154 HydrophobicContact CD2-CE 4.38Å; L1006-M1154 HydrophobicContact CD2-SD 4.47Å; V1151-M1154 WeakPolarHBondContact O-CB 3.13Å; V1151-M1154 WeakPolarHBondContact O-CG 3.48Å; V1151-M1154 PolarHBondContact O-N 3Å; L1152-M1154 PolarHBondContact O-N 2.71Å; M1154-A1156 PolarHBondContact O-N 3.06Å; M1154-D1157 PolarHBondContact O-N 2.98Å; M1154-M1218 HydrophobicContact CE-CE 4.24Å |
| 1155 | L | 74.7 | Confident | 80.3 | Confident | 22 Ų | 22 | 39.3 Ų | 39.3 | 12% | 0.115 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -73 | -16.7 | 173.9 | -51.4 | 174.2 | 0 | 0 | 0 | 112.6 | I1096 K1099 L1152 T1153 D1157 I1158 V1229 M1240 | I1096-L1155 HydrophobicContact CD1-CB 4.15Å; K1099-L1155 PolarHBondContact NZ-O 3.15Å; L1152-L1155 HydrophobicContact CD2-CD1 4.02Å; L1152-L1155 VanDerWaalsContact O-CB 3.29Å; L1152-L1155 WeakPolarHBondContact O-CB 3.33Å; L1152-L1155 PolarHBondContact O-N 3.15Å; T1153-L1155 PolarHBondContact O-N 3.29Å; L1155-D1157 PolarHBondContact O-N 3.24Å; L1155-I1158 HydrophobicContact CD2-CD1 3.78Å; L1155-I1158 PolarHBondContact O-N 3.35Å; L1155-V1229 HydrophobicContact CD1-CB 4.34Å; L1155-V1229 HydrophobicContact CD1-CG1 4.15Å; L1155-V1229 HydrophobicContact CD1-CG2 3.85Å; L1155-M1240 HydrophobicContact CD2-CE 3.77Å |
| 1156 | A | 70.3 | Confident | 80 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -66.8 | -23.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1095 I1096 K1099 T1153 M1154 | K1095-A1156 HydrophobicContact CB-CB 3.97Å; I1096-A1156 HydrophobicContact CB-CB 4.41Å; K1099-A1156 VanDerWaalsContact NZ-C 3.3Å; K1099-A1156 PolarHBondContact NZ-O 3.13Å; T1153-A1156 WeakPolarHBondContact O-CB 3.3Å; T1153-A1156 PolarHBondContact O-N 3.25Å; T1153-A1156 VanDerWaalsContact O-N 3.13Å; M1154-A1156 PolarHBondContact O-N 3.06Å |
| 1157 | D | 70.5 | Confident | 79.9 | Confident | 98 Ų | 98 | 43.1 Ų | 43.1 | 52% | 0.524 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -87 | -5.6 | 177.7 | -73.4 | -1.8 | 0 | 0 | 0 | 113.9 | K1007 M1154 L1155 | K1007-D1157 IonicContact NZ-OD2 3.33Å; K1007-D1157 PolarHBondContact NZ-OD2 3.49Å; M1154-D1157 PolarHBondContact O-N 2.98Å; L1155-D1157 PolarHBondContact O-N 3.24Å |
| 1158 | I | 73.6 | Confident | 79.9 | Confident | 67 Ų | 67 | 42.4 Ų | 42.4 | 34% | 0.344 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -94.3 | 143.2 | -178 | -49 | 178.2 | 0 | 0 | 0 | 110.7 | K1099 L1155 I1160 M1240 | K1099-I1158 PolarHBondContact NZ-O 2.93Å; L1155-I1158 HydrophobicContact CD2-CD1 3.78Å; L1155-I1158 PolarHBondContact O-N 3.35Å; I1158-I1160 HydrophobicContact CB-CD1 4.26Å; I1158-I1160 HydrophobicContact CB-CG1 4.47Å; I1158-I1160 HydrophobicContact CG2-CD1 3.97Å; I1158-I1160 HydrophobicContact CG2-CG1 3.97Å; I1158-I1160 PolarHBondContact O-N 2.97Å; I1158-M1240 HydrophobicContact CD1-CE 4.15Å |
| 1159 | E | 64.8 | Low | 79.9 | Confident | 190 Ų | 190 | 42.4 Ų | 42.4 | 89% | 0.888 | 23% | 0.23 | S | C | * | . | trans | -72.3 | 34.6 | -177 | -60.6 | -171.1 | 161.4 | 0 | 0 | 115.8 | H1161 | E1159-H1161 PolarHBondContact O-ND1 2.94Š| ||
| 1160 | I | 68.6 | Low | 79.9 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.087 | 23% | 0.234 | C | C | . | . | trans | -78.5 | 124.3 | 173.2 | -61.4 | 162.2 | 0 | 0 | 0 | 109.1 | I1158 S1162 I1163 L1233 M1240 | I1158-I1160 HydrophobicContact CB-CD1 4.26Å; I1158-I1160 HydrophobicContact CB-CG1 4.47Å; I1158-I1160 HydrophobicContact CG2-CD1 3.97Å; I1158-I1160 HydrophobicContact CG2-CG1 3.97Å; I1158-I1160 PolarHBondContact O-N 2.97Å; I1160-S1162 WeakPolarHBondContact CG2-O 3.18Å; I1160-I1163 HydrophobicContact CG2-CG1 4.36Å; I1160-L1233 HydrophobicContact CD1-CD2 4.17Å; I1160-L1233 HydrophobicContact CG2-CD2 4Å; I1160-M1240 HydrophobicContact CD1-SD 3.74Å | ||
| 1161 | H | 64.6 | Low | 80 | Confident | 185 Ų | 185 | 48 Ų | 48 | 86% | 0.856 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -71.8 | -36.8 | -177.5 | -71.3 | 41 | 0 | 0 | 0 | 113 | E1159 | E1159-H1161 PolarHBondContact O-ND1 2.94Š|
| 1162 | S | 72.3 | Confident | 80.3 | Confident | 58 Ų | 58 | 47.5 Ų | 47.5 | 41% | 0.406 | 25% | 0.251 | S | S | . | . | trans | -162.3 | 148.3 | 171.3 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | K1099 I1160 G1164 | K1099-S1162 CarbonylContact O-C 3.16Å; K1099-S1162 PolarHBondContact O-OG 2.93Å; I1160-S1162 WeakPolarHBondContact CG2-O 3.18Å; S1162-G1164 PolarHBondContact OG-N 3.39Å | ||
| 1163 | I | 76.5 | Confident | 80.6 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | trans | -93.8 | -17 | 169.5 | -59.9 | 162.6 | 0 | 0 | 0 | 110.1 | I1096 K1099 I1160 S1165 I1167 V1229 F1232 | I1096-I1163 HydrophobicContact CD1-CD1 3.87Å; K1099-I1163 HydrophobicContact CB-CD1 4.4Å; K1099-I1163 PolarHBondContact O-N 3.42Å; I1160-I1163 HydrophobicContact CG2-CG1 4.36Å; I1163-S1165 PolarHBondContact O-N 2.99Å; I1163-I1167 HydrophobicContact CD1-CD1 4.14Å; I1163-I1167 HydrophobicContact CG2-CD1 4.19Å; I1163-I1167 HydrophobicContact CG2-CG1 4.43Å; I1163-V1229 HydrophobicContact CG2-CG1 4.24Å; I1163-F1232 HydrophobicContact CG2-CB 4.07Å | ||
| 1164 | G | 68.6 | Low | 81.1 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | trans | 66.5 | 8.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | H1101 S1162 | H1101-G1164 VanDerWaalsContact CE1-C 3.49Å; H1101-G1164 PolarHBondContact CE1-O 3.1Å; H1101-G1164 PolarHBondContact ND1-O 2.91Å; S1162-G1164 PolarHBondContact OG-N 3.39Å | ||
| 1165 | S | 82 | Confident | 81.7 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -135.2 | 171.2 | -176.8 | 71.6 | 0 | 0 | 0 | 0 | 113.1 | C1100 H1101 I1163 F1232 | C1100-S1165 WeakPolarHBondContact CB-O 3.25Å; H1101-S1165 PolarHBondContact N-O 3.23Å; I1163-S1165 PolarHBondContact O-N 2.99Å; S1165-F1232 VanDerWaalsContact OG-CD1 3.3Å; S1165-F1232 WeakPolarHBondContact OG-CD1 3.49Å; S1165-F1232 VanDerWaalsContact OG-CG 3.24Å; S1165-F1232 WeakPolarHBondContact OG-CG 3.28Å |
| 1166 | I | 88.9 | Confident | 82.7 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 120.9 | 164.1 | -61.8 | 171.4 | 0 | 0 | 0 | 106.9 | H1101 G1102 V1109 | H1101-I1166 HydrophobicContact CB-CG1 3.91Å; G1102-I1166 WeakPolarHBondContact O-CA 3.23Å; V1109-I1166 HydrophobicContact CG1-CD1 4.2Å; V1109-I1166 HydrophobicContact CG1-CG2 4.02Å; V1109-I1166 HydrophobicContact CG2-CD1 4.32Å; V1109-I1166 HydrophobicContact CG2-CG2 4.11Å |
| 1167 | I | 90.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 113.6 | -177 | -55.7 | 171.8 | 0 | 0 | 0 | 108.3 | C1100 G1102 L1103 S1104 L1152 I1163 V1169 I1172 Y1228 | C1100-I1167 HydrophobicContact CB-CD1 3.93Å; C1100-I1167 HydrophobicContact CB-CG1 4.24Å; G1102-I1167 PolarHBondContact O-N 3.3Å; L1103-I1167 CarbonylContact C-O 3.57Å; L1103-I1167 WeakPolarHBondContact CA-O 3.26Å; L1103-I1167 HydrophobicContact CD2-CB 3.96Å; L1103-I1167 HydrophobicContact CD2-CD1 4.23Å; S1104-I1167 PolarHBondContact N-O 2.99Å; L1152-I1167 HydrophobicContact CD1-CG2 3.75Å; L1152-I1167 HydrophobicContact CD2-CG2 4.06Å; I1163-I1167 HydrophobicContact CD1-CD1 4.14Å; I1163-I1167 HydrophobicContact CG2-CD1 4.19Å; I1163-I1167 HydrophobicContact CG2-CG1 4.43Å; I1167-V1169 PolarHBondContact O-N 3.07Å; I1167-I1172 HydrophobicContact CG2-CD1 3.92Å; I1167-Y1228 HydrophobicContact CG2-CD1 4.29Å; I1167-Y1228 HydrophobicContact CG2-CE1 3.96Å |
| 1168 | A | 92.6 | Very high | 85 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 5% | 0.05 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 107.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1170 K1171 I1172 | A1168-E1170 WeakPolarHBondContact CB-OE1 3.26Å; A1168-K1171 HydrophobicContact CB-CB 4.08Å; A1168-K1171 HydrophobicContact CB-CD 3.78Å; A1168-K1171 HydrophobicContact CB-CG 3.76Å; A1168-K1171 PolarHBondContact O-N 3.36Å; A1168-I1172 PolarHBondContact O-N 3.17Å |
| 1169 | V | 93.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69 | -38.7 | -176.8 | -177 | 0 | 0 | 0 | 0 | 110.3 | L1103 S1104 V1105 L1145 A1148 I1149 L1152 I1167 K1171 I1172 V1173 | L1103-V1169 HydrophobicContact CB-CG2 4.42Å; S1104-V1169 WeakPolarHBondContact O-CB 3.49Å; S1104-V1169 VanDerWaalsContact O-CG2 3.28Å; S1104-V1169 WeakPolarHBondContact O-CG2 3.41Å; S1104-V1169 PolarHBondContact O-N 3.18Å; V1105-V1169 HydrophobicContact CG2-CB 4.32Å; V1105-V1169 HydrophobicContact CG2-CG2 4.29Å; L1145-V1169 HydrophobicContact CB-CG1 4.42Å; L1145-V1169 HydrophobicContact CD2-CB 4.23Å; L1145-V1169 HydrophobicContact CD2-CG1 3.71Å; A1148-V1169 HydrophobicContact CB-CG1 3.67Å; I1149-V1169 HydrophobicContact CD1-CG1 4.33Å; I1149-V1169 HydrophobicContact CD1-CG2 4.29Å; I1149-V1169 HydrophobicContact CG1-CB 4.45Å; I1149-V1169 HydrophobicContact CG1-CG1 3.78Å; I1149-V1169 HydrophobicContact CG1-CG2 3.79Å; L1152-V1169 HydrophobicContact CD1-CG2 4.17Å; I1167-V1169 PolarHBondContact O-N 3.07Å; V1169-K1171 VanDerWaalsContact C-N 3.26Å; V1169-K1171 PolarHBondContact O-N 2.95Å; V1169-I1172 WeakPolarHBondContact O-CB 3.46Å; V1169-I1172 PolarHBondContact O-N 3.38Å; V1169-I1172 VanDerWaalsContact O-N 3.08Å; V1169-V1173 PolarHBondContact O-N 3.44Å; V1169-V1173 VanDerWaalsContact O-N 3.14Å |
| 1170 | E | 93.3 | Very high | 87.2 | Confident | 23 Ų | 23 | 37.8 Ų | 37.8 | 11% | 0.107 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -52.9 | -42.1 | 173.5 | 61 | -79.8 | -174 | 0 | 0 | 112 | S1104 V1105 E1106 A1168 I1172 V1173 H1174 | S1104-E1170 VanDerWaalsContact C-OE2 3.28Å; S1104-E1170 PolarHBondContact OG-OE1 2.86Å; V1105-E1170 VanDerWaalsContact CA-OE2 3.31Å; V1105-E1170 WeakPolarHBondContact CA-OE2 3.15Å; E1106-E1170 PolarHBondContact N-OE2 3.31Å; E1106-E1170 WeakPolarHBondContact OE1-CB 3.33Å; A1168-E1170 WeakPolarHBondContact CB-OE1 3.26Å; E1170-I1172 PolarHBondContact O-N 3.17Å; E1170-V1173 PolarHBondContact O-N 3.2Å; E1170-H1174 PolarHBondContact O-CD2 2.81Å; E1170-H1174 PolarHBondContact O-N 2.84Å |
| 1171 | K | 92.5 | Very high | 88.3 | Confident | 113 Ų | 113 | 38 Ų | 38 | 49% | 0.491 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.4 | -35.9 | 178.8 | -64.9 | -173.4 | -173.3 | 177.4 | 0 | 112.4 | A1168 V1169 V1173 H1174 I1175 Y1228 | A1168-K1171 HydrophobicContact CB-CB 4.08Å; A1168-K1171 HydrophobicContact CB-CD 3.78Å; A1168-K1171 HydrophobicContact CB-CG 3.76Å; A1168-K1171 PolarHBondContact O-N 3.36Å; V1169-K1171 VanDerWaalsContact C-N 3.26Å; V1169-K1171 PolarHBondContact O-N 2.95Å; K1171-V1173 VanDerWaalsContact C-N 3.35Å; K1171-H1174 PolarHBondContact O-N 2.9Å; K1171-I1175 WeakPolarHBondContact O-CB 3.41Å; K1171-I1175 WeakPolarHBondContact O-CD1 3.36Å; K1171-I1175 WeakPolarHBondContact O-CG1 3.37Å; K1171-I1175 PolarHBondContact O-N 2.78Å; K1171-Y1228 HydrophobicContact CD-CE2 4.4Å |
| 1172 | I | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 175.6 | -62.7 | 169.7 | 0 | 0 | 0 | 110.3 | L1152 I1167 A1168 V1169 E1170 I1175 A1176 L1221 A1224 A1225 Y1228 | L1152-I1172 HydrophobicContact CD1-CD1 3.77Å; L1152-I1172 HydrophobicContact CD2-CD1 3.78Å; L1152-I1172 HydrophobicContact CG-CD1 3.95Å; I1167-I1172 HydrophobicContact CG2-CD1 3.92Å; A1168-I1172 PolarHBondContact O-N 3.17Å; V1169-I1172 WeakPolarHBondContact O-CB 3.46Å; V1169-I1172 PolarHBondContact O-N 3.38Å; V1169-I1172 VanDerWaalsContact O-N 3.08Å; E1170-I1172 PolarHBondContact O-N 3.17Å; I1172-I1175 PolarHBondContact O-N 3.47Å; I1172-A1176 VanDerWaalsContact O-CB 3.28Å; I1172-A1176 WeakPolarHBondContact O-CB 3.35Å; I1172-A1176 PolarHBondContact O-N 2.82Å; I1172-L1221 HydrophobicContact CG2-CD2 4.39Å; I1172-A1224 HydrophobicContact CG2-CB 3.97Å; I1172-A1224 WeakPolarHBondContact O-CB 3.25Å; I1172-A1225 HydrophobicContact CD1-CB 4.43Å; I1172-A1225 HydrophobicContact CG2-CB 4.04Å; I1172-Y1228 HydrophobicContact CD1-CD1 3.85Å; I1172-Y1228 HydrophobicContact CD1-CE1 4.45Å; I1172-Y1228 HydrophobicContact CG1-CD1 3.5Å; I1172-Y1228 VanDerWaalsContact CG1-CD1 3.5Å; I1172-Y1228 HydrophobicContact CG1-CE1 4.19Å; I1172-Y1228 HydrophobicContact CG1-CG 4.1Å |
| 1173 | V | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -41.4 | 176.5 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | Y1141 L1144 L1145 A1148 V1169 E1170 K1171 A1176 N1177 I1202 L1221 | Y1141-V1173 HydrophobicContact CE2-CB 4.5Å; Y1141-V1173 HydrophobicContact CE2-CG1 4.05Å; L1144-V1173 HydrophobicContact CB-CG1 4.18Å; L1144-V1173 HydrophobicContact CD1-CG1 4.17Å; L1145-V1173 HydrophobicContact CD2-CG2 3.87Å; L1145-V1173 HydrophobicContact CG-CG2 4.42Å; A1148-V1173 HydrophobicContact CB-CG2 3.76Å; V1169-V1173 PolarHBondContact O-N 3.44Å; V1169-V1173 VanDerWaalsContact O-N 3.14Å; E1170-V1173 PolarHBondContact O-N 3.2Å; K1171-V1173 VanDerWaalsContact C-N 3.35Å; V1173-A1176 PolarHBondContact O-N 2.97Å; V1173-N1177 WeakPolarHBondContact O-CB 3.24Å; V1173-N1177 PolarHBondContact O-N 3.4Å; V1173-I1202 HydrophobicContact CG1-CD1 3.9Å; V1173-I1202 HydrophobicContact CG1-CG1 4.4Å; V1173-L1221 HydrophobicContact CG2-CD2 4.09Å |
| 1174 | H | 94.8 | Very high | 91 | Very high | 67 Ų | 67 | 35.5 Ų | 35.5 | 31% | 0.31 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 174.3 | -71 | -58.7 | 0 | 0 | 0 | 113.3 | E1170 K1171 A1176 N1177 D1178 S1200 | E1170-H1174 PolarHBondContact O-CD2 2.81Å; E1170-H1174 PolarHBondContact O-N 2.84Å; K1171-H1174 PolarHBondContact O-N 2.9Å; H1174-A1176 VanDerWaalsContact C-N 3.33Å; H1174-A1176 PolarHBondContact O-N 3.24Å; H1174-N1177 WeakPolarHBondContact O-CB 3.5Å; H1174-N1177 PolarHBondContact O-N 2.95Å; H1174-D1178 PolarHBondContact O-N 2.75Å; H1174-S1200 PolarHBondContact CE1-O 3.3Å |
| 1175 | I | 94.3 | Very high | 91.9 | Very high | 56 Ų | 56 | 38.4 Ų | 38.4 | 29% | 0.287 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 175.9 | -67.4 | 162.5 | 0 | 0 | 0 | 110.4 | K1171 I1172 N1177 D1178 L1179 A1224 Y1228 | K1171-I1175 WeakPolarHBondContact O-CB 3.41Å; K1171-I1175 WeakPolarHBondContact O-CD1 3.36Å; K1171-I1175 WeakPolarHBondContact O-CG1 3.37Å; K1171-I1175 PolarHBondContact O-N 2.78Å; I1172-I1175 PolarHBondContact O-N 3.47Å; I1175-N1177 VanDerWaalsContact C-N 3.34Å; I1175-N1177 PolarHBondContact O-N 2.87Å; I1175-D1178 PolarHBondContact O-N 3.29Å; I1175-L1179 HydrophobicContact CG2-CD1 4.12Å; I1175-L1179 HydrophobicContact CG2-CG 4.49Å; I1175-L1179 WeakPolarHBondContact O-CB 3.04Å; I1175-L1179 VanDerWaalsContact O-CG 3.28Å; I1175-L1179 WeakPolarHBondContact O-CG 3.21Å; I1175-L1179 PolarHBondContact O-N 2.96Å; I1175-A1224 HydrophobicContact CB-CB 3.92Å; I1175-A1224 HydrophobicContact CG2-CB 3.64Å; I1175-Y1228 HydrophobicContact CD1-CD2 4.14Å; I1175-Y1228 HydrophobicContact CD1-CG 4.43Å |
| 1176 | A | 94.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1172 V1173 H1174 F1180 L1221 A1224 | I1172-A1176 VanDerWaalsContact O-CB 3.28Å; I1172-A1176 WeakPolarHBondContact O-CB 3.35Å; I1172-A1176 PolarHBondContact O-N 2.82Å; V1173-A1176 PolarHBondContact O-N 2.97Å; H1174-A1176 VanDerWaalsContact C-N 3.33Å; H1174-A1176 PolarHBondContact O-N 3.24Å; A1176-F1180 WeakPolarHBondContact O-CB 3.11Å; A1176-F1180 PolarHBondContact O-N 2.84Å; A1176-L1221 HydrophobicContact CB-CD2 3.76Å; A1176-L1221 HydrophobicContact CB-CG 4.22Å; A1176-A1224 HydrophobicContact CB-CB 3.83Å |
| 1177 | N | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.3 | 170.8 | 85.9 | 0 | 0 | 0 | 112.5 | V1173 H1174 I1175 F1180 L1181 I1202 C1203 L1206 | V1173-N1177 WeakPolarHBondContact O-CB 3.24Å; V1173-N1177 PolarHBondContact O-N 3.4Å; H1174-N1177 WeakPolarHBondContact O-CB 3.5Å; H1174-N1177 PolarHBondContact O-N 2.95Å; I1175-N1177 VanDerWaalsContact C-N 3.34Å; I1175-N1177 PolarHBondContact O-N 2.87Å; N1177-F1180 WeakPolarHBondContact O-CB 2.99Å; N1177-F1180 PolarHBondContact O-N 3.27Å; N1177-L1181 VanDerWaalsContact ND2-CD1 3.28Å; N1177-L1181 WeakPolarHBondContact ND2-CD1 3.37Å; N1177-L1181 WeakPolarHBondContact O-CB 3.15Å; N1177-L1181 VanDerWaalsContact O-CG 3.29Å; N1177-L1181 WeakPolarHBondContact O-CG 3.41Å; N1177-L1181 PolarHBondContact O-N 3.13Å; N1177-I1202 HydrophobicContact CB-CD1 3.83Å; N1177-C1203 WeakPolarHBondContact OD1-CB 3.36Å; N1177-C1203 PolarHBondContact OD1-N 2.9Å; N1177-L1206 HydrophobicContact CB-CD2 3.88Å |
| 1178 | D | 94.1 | Very high | 91.9 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73.2 | -32.2 | -178.1 | -69.3 | -10.5 | 0 | 0 | 0 | 111.8 | H1174 I1175 Q1182 K1196 | H1174-D1178 PolarHBondContact O-N 2.75Å; I1175-D1178 PolarHBondContact O-N 3.29Å; D1178-Q1182 WeakPolarHBondContact O-CB 3.37Å; D1178-Q1182 VanDerWaalsContact O-CG 3.22Å; D1178-Q1182 WeakPolarHBondContact O-CG 3.5Å; D1178-Q1182 PolarHBondContact O-N 3.36Å; D1178-K1196 IonicContact OD1-NZ 3.29Å |
| 1179 | L | 92.6 | Very high | 91.5 | Very high | 54 Ų | 54 | 48 Ų | 48 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 167.2 | -71.8 | 171.3 | 0 | 0 | 0 | 112.2 | I1175 Q1182 E1183 Y1220 K1223 A1224 | I1175-L1179 HydrophobicContact CG2-CD1 4.12Å; I1175-L1179 HydrophobicContact CG2-CG 4.49Å; I1175-L1179 WeakPolarHBondContact O-CB 3.04Å; I1175-L1179 VanDerWaalsContact O-CG 3.28Å; I1175-L1179 WeakPolarHBondContact O-CG 3.21Å; I1175-L1179 PolarHBondContact O-N 2.96Å; L1179-Q1182 PolarHBondContact O-N 3.19Å; L1179-E1183 PolarHBondContact O-N 3.45Å; L1179-Y1220 HydrophobicContact CB-CD1 3.95Å; L1179-K1223 HydrophobicContact CD1-CB 3.99Å; L1179-A1224 HydrophobicContact CD1-CB 4.47Å |
| 1180 | F | 92.9 | Very high | 91 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -48.6 | 174.7 | 174.8 | -92.1 | 0 | 0 | 0 | 111.3 | A1176 N1177 Q1182 E1183 Q1184 C1203 L1205 L1206 S1209 Y1220 | A1176-F1180 WeakPolarHBondContact O-CB 3.11Å; A1176-F1180 PolarHBondContact O-N 2.84Å; N1177-F1180 WeakPolarHBondContact O-CB 2.99Å; N1177-F1180 PolarHBondContact O-N 3.27Å; F1180-Q1182 VanDerWaalsContact C-N 3.29Å; F1180-Q1182 PolarHBondContact O-N 3.35Å; F1180-E1183 PolarHBondContact O-N 2.77Å; F1180-Q1184 HydrophobicContact CD1-CG 3.98Å; F1180-Q1184 HydrophobicContact CD2-CG 4.31Å; F1180-Q1184 HydrophobicContact CE1-CG 3.66Å; F1180-Q1184 HydrophobicContact CE2-CG 4.03Å; F1180-Q1184 HydrophobicContact CG-CG 4.3Å; F1180-Q1184 HydrophobicContact CZ-CG 3.69Å; F1180-Q1184 WeakPolarHBondContact O-CG 3.33Å; F1180-Q1184 PolarHBondContact O-N 2.77Å; F1180-C1203 HydrophobicContact CD1-CB 4.49Å; F1180-C1203 HydrophobicContact CE1-CB 4.46Å; F1180-L1205 HydrophobicContact CE1-CB 4.02Å; F1180-L1205 HydrophobicContact CZ-CB 3.99Å; F1180-L1206 HydrophobicContact CB-CD1 3.98Å; F1180-L1206 HydrophobicContact CD1-CB 4.14Å; F1180-L1206 HydrophobicContact CD1-CD1 4.2Å; F1180-L1206 HydrophobicContact CD2-CD1 3.67Å; F1180-L1206 HydrophobicContact CE1-CB 4.15Å; F1180-L1206 HydrophobicContact CE2-CD1 4.14Å; F1180-L1206 HydrophobicContact CG-CD1 3.71Å; F1180-S1209 WeakPolarHBondContact CE2-OG 3.27Å; F1180-Y1220 HydrophobicContact CB-CD1 4.2Å; F1180-Y1220 HydrophobicContact CB-CD2 4.31Å; F1180-Y1220 HydrophobicContact CB-CE1 4.3Å; F1180-Y1220 HydrophobicContact CB-CE2 4.38Å; F1180-Y1220 HydrophobicContact CB-CG 4.23Å; F1180-Y1220 HydrophobicContact CD2-CD2 4Å; F1180-Y1220 AromaticContact CD2-CE2 3.62Å; F1180-Y1220 HydrophobicContact CD2-CE2 3.62Å; F1180-Y1220 HydrophobicContact CE2-CE2 4.47Å; F1180-Y1220 HydrophobicContact CG-CE2 4.49Å |
| 1181 | L | 90.9 | Very high | 90.4 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.6 | -40.7 | 177 | -73.8 | 173.2 | 0 | 0 | 0 | 111.9 | N1177 K1185 L1194 C1203 | N1177-L1181 VanDerWaalsContact ND2-CD1 3.28Å; N1177-L1181 WeakPolarHBondContact ND2-CD1 3.37Å; N1177-L1181 WeakPolarHBondContact O-CB 3.15Å; N1177-L1181 VanDerWaalsContact O-CG 3.29Å; N1177-L1181 WeakPolarHBondContact O-CG 3.41Å; N1177-L1181 PolarHBondContact O-N 3.13Å; L1181-K1185 WeakPolarHBondContact O-CB 3.11Å; L1181-K1185 WeakPolarHBondContact O-CG 3.17Å; L1181-K1185 PolarHBondContact O-N 3.22Å; L1181-L1194 HydrophobicContact CD2-CB 3.87Å; L1181-L1194 HydrophobicContact CD2-CD1 4.37Å; L1181-L1194 HydrophobicContact CD2-CD2 3.94Å; L1181-L1194 HydrophobicContact CD2-CG 4.27Å; L1181-C1203 HydrophobicContact CD2-CB 3.85Å; L1181-C1203 HydrophobicContact CG-CB 4.39Å |
| 1182 | Q | 90.5 | Very high | 89.7 | Confident | 123 Ų | 123 | 58 Ų | 58 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.3 | -48 | 175 | -72.9 | 170 | 35.7 | 0 | 0 | 112 | D1178 L1179 F1180 K1185 T1186 | D1178-Q1182 WeakPolarHBondContact O-CB 3.37Å; D1178-Q1182 VanDerWaalsContact O-CG 3.22Å; D1178-Q1182 WeakPolarHBondContact O-CG 3.5Å; D1178-Q1182 PolarHBondContact O-N 3.36Å; L1179-Q1182 PolarHBondContact O-N 3.19Å; F1180-Q1182 VanDerWaalsContact C-N 3.29Å; F1180-Q1182 PolarHBondContact O-N 3.35Å; Q1182-K1185 PolarHBondContact O-N 2.72Å; Q1182-T1186 PolarHBondContact O-N 2.68Å; Q1182-T1186 PolarHBondContact O-OG1 3.45Å |
| 1183 | E | 90.4 | Very high | 88.9 | Confident | 36 Ų | 36 | 63.4 Ų | 63.4 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 179.4 | -163.9 | 164.4 | -177.4 | 0 | 0 | 110.9 | L1179 F1180 K1185 T1186 L1187 R1214 F1215 Y1220 K1223 | L1179-E1183 PolarHBondContact O-N 3.45Å; F1180-E1183 PolarHBondContact O-N 2.77Å; E1183-K1185 PolarHBondContact O-N 2.93Å; E1183-T1186 WeakPolarHBondContact CA-OG1 3.49Å; E1183-T1186 PolarHBondContact O-N 2.9Å; E1183-T1186 PolarHBondContact O-OG1 2.71Å; E1183-L1187 HydrophobicContact CG-CD1 4.41Å; E1183-L1187 WeakPolarHBondContact O-CG 3.09Å; E1183-L1187 PolarHBondContact O-N 3.03Å; E1183-R1214 IonicContact OE1-CZ 2.73Å; E1183-R1214 IonicContact OE1-NE 2.81Å; E1183-R1214 IonicContact OE1-NH2 3.23Å; E1183-R1214 PolarHBondContact OE1-NH2 2.79Å; E1183-F1215 HydrophobicContact CG-CE1 4.22Å; E1183-F1215 WeakPolarHBondContact OE1-CE1 3.43Å; E1183-Y1220 HydrophobicContact CB-CE1 4.47Å; E1183-Y1220 VanDerWaalsContact CD-OH 3.29Å; E1183-Y1220 WeakPolarHBondContact OE2-CE1 3.41Å; E1183-Y1220 PolarHBondContact OE2-OH 2.7Å; E1183-K1223 IonicContact OE2-NZ 2.81Å |
| 1184 | Q | 89.2 | Confident | 88.3 | Confident | 36 Ų | 36 | 63.9 Ų | 63.9 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 176 | -63 | -55.6 | -24.7 | 0 | 0 | 113.3 | F1180 L1187 G1188 A1189 L1194 | F1180-Q1184 HydrophobicContact CD1-CG 3.98Å; F1180-Q1184 HydrophobicContact CD2-CG 4.31Å; F1180-Q1184 HydrophobicContact CE1-CG 3.66Å; F1180-Q1184 HydrophobicContact CE2-CG 4.03Å; F1180-Q1184 HydrophobicContact CG-CG 4.3Å; F1180-Q1184 HydrophobicContact CZ-CG 3.69Å; F1180-Q1184 WeakPolarHBondContact O-CG 3.33Å; F1180-Q1184 PolarHBondContact O-N 2.77Å; Q1184-L1187 CarbonylContact O-C 3.51Å; Q1184-L1187 PolarHBondContact O-N 2.75Å; Q1184-L1187 VanDerWaalsContact O-N 3.12Å; Q1184-G1188 PolarHBondContact O-N 2.79Å; Q1184-G1188 VanDerWaalsContact O-N 3.14Å; Q1184-A1189 HydrophobicContact CB-CB 4.09Å; Q1184-A1189 WeakPolarHBondContact O-CB 3.42Å; Q1184-A1189 PolarHBondContact O-N 2.92Å; Q1184-A1189 VanDerWaalsContact O-N 3.07Å; Q1184-L1194 HydrophobicContact CB-CD2 3.68Å; Q1184-L1194 HydrophobicContact CG-CD2 4.2Å |
| 1185 | K | 88.4 | Confident | 87.8 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 173.4 | -75.3 | -165.2 | 176.3 | -153.6 | 0 | 112.5 | L1181 Q1182 E1183 L1187 G1188 D1191 L1194 | L1181-K1185 WeakPolarHBondContact O-CB 3.11Å; L1181-K1185 WeakPolarHBondContact O-CG 3.17Å; L1181-K1185 PolarHBondContact O-N 3.22Å; Q1182-K1185 PolarHBondContact O-N 2.72Å; E1183-K1185 PolarHBondContact O-N 2.93Å; K1185-L1187 PolarHBondContact O-N 3.49Å; K1185-G1188 PolarHBondContact O-N 3.39Å; K1185-D1191 WeakPolarHBondContact CE-OD1 3.49Å; K1185-D1191 VanDerWaalsContact NZ-CG 3.35Å; K1185-D1191 IonicContact NZ-OD1 3.06Å; K1185-D1191 PolarHBondContact NZ-OD1 2.94Å; K1185-D1191 IonicContact NZ-OD2 3.67Å; K1185-D1191 PolarHBondContact NZ-OD2 2.86Å; K1185-L1194 HydrophobicContact CD-CD1 4.13Å; K1185-L1194 HydrophobicContact CG-CD1 3.37Å |
| 1186 | T | 89.1 | Confident | 87.4 | Confident | 119 Ų | 119 | 64.9 Ų | 64.9 | 73% | 0.73 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -70.3 | -19.2 | 172.1 | 58 | 0 | 0 | 0 | 0 | 113.9 | Q1182 E1183 | Q1182-T1186 PolarHBondContact O-N 2.68Å; Q1182-T1186 PolarHBondContact O-OG1 3.45Å; E1183-T1186 WeakPolarHBondContact CA-OG1 3.49Å; E1183-T1186 PolarHBondContact O-N 2.9Å; E1183-T1186 PolarHBondContact O-OG1 2.71Å |
| 1187 | L | 86.9 | Confident | 86.9 | Confident | 100 Ų | 100 | 66.7 Ų | 66.7 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -2.7 | 172 | -66.1 | 169.3 | 0 | 0 | 0 | 113.5 | E1183 Q1184 K1185 F1215 | E1183-L1187 HydrophobicContact CG-CD1 4.41Å; E1183-L1187 WeakPolarHBondContact O-CG 3.09Å; E1183-L1187 PolarHBondContact O-N 3.03Å; Q1184-L1187 CarbonylContact O-C 3.51Å; Q1184-L1187 PolarHBondContact O-N 2.75Å; Q1184-L1187 VanDerWaalsContact O-N 3.12Å; K1185-L1187 PolarHBondContact O-N 3.49Å; L1187-F1215 HydrophobicContact CD1-CD1 4.44Å; L1187-F1215 HydrophobicContact CD1-CE1 3.68Å; L1187-F1215 HydrophobicContact CD1-CZ 3.93Å |
| 1188 | G | 84.9 | Confident | 86.3 | Confident | 66 Ų | 66 | 73 Ų | 73 | 68% | 0.68 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.8 | 15.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q1184 K1185 | Q1184-G1188 PolarHBondContact O-N 2.79Å; Q1184-G1188 VanDerWaalsContact O-N 3.14Å; K1185-G1188 PolarHBondContact O-N 3.39Å |
| 1189 | A | 84.5 | Confident | 85.8 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 17% | 0.165 | 41% | 0.413 | C | S | . | . | trans | -68.6 | 138.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1184 M1193 L1194 | Q1184-A1189 HydrophobicContact CB-CB 4.09Å; Q1184-A1189 WeakPolarHBondContact O-CB 3.42Å; Q1184-A1189 PolarHBondContact O-N 2.92Å; Q1184-A1189 VanDerWaalsContact O-N 3.07Å; A1189-M1193 HydrophobicContact CB-CB 4.49Å; A1189-M1193 HydrophobicContact CB-SD 4.46Å; A1189-L1194 HydrophobicContact CB-CD1 4.01Å; A1189-L1194 HydrophobicContact CB-CD2 4.04Å; A1189-L1194 HydrophobicContact CB-CG 3.98Å | ||
| 1190 | D | 83.5 | Confident | 85.5 | Confident | 83 Ų | 83 | 70.6 Ų | 70.6 | 44% | 0.444 | 40% | 0.403 | S | S | . | . | trans | -87.1 | 170.3 | 179.3 | 70.7 | 28.3 | 0 | 0 | 0 | 113.3 | I1192 M1193 L1194 | D1190-I1192 PolarHBondContact O-N 2.83Å; D1190-I1192 WeakPolarHBondContact OD1-CA 3.46Å; D1190-I1192 WeakPolarHBondContact OD1-CB 3.28Å; D1190-I1192 PolarHBondContact OD1-N 2.87Å; D1190-M1193 PolarHBondContact O-N 2.72Å; D1190-M1193 PolarHBondContact OD1-N 3.37Å; D1190-L1194 WeakPolarHBondContact O-CB 3.37Å; D1190-L1194 VanDerWaalsContact O-CG 3.27Å; D1190-L1194 WeakPolarHBondContact O-CG 3.33Å; D1190-L1194 PolarHBondContact O-N 3.17Å | ||
| 1191 | D | 79.4 | Confident | 85.3 | Confident | 119 Ų | 119 | 71.8 Ų | 71.8 | 64% | 0.636 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -8.4 | -179.9 | -77.9 | -60 | 0 | 0 | 0 | 114.2 | K1185 | K1185-D1191 WeakPolarHBondContact CE-OD1 3.49Å; K1185-D1191 VanDerWaalsContact NZ-CG 3.35Å; K1185-D1191 IonicContact NZ-OD1 3.06Å; K1185-D1191 PolarHBondContact NZ-OD1 2.94Å; K1185-D1191 IonicContact NZ-OD2 3.67Å; K1185-D1191 PolarHBondContact NZ-OD2 2.86Å |
| 1192 | I | 77.9 | Confident | 85.4 | Confident | 144 Ų | 144 | 70.8 Ų | 70.8 | 74% | 0.738 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -43.8 | 174.2 | -58.4 | 173.9 | 0 | 0 | 0 | 109.5 | D1190 L1194 A1195 | D1190-I1192 PolarHBondContact O-N 2.83Å; D1190-I1192 WeakPolarHBondContact OD1-CA 3.46Å; D1190-I1192 WeakPolarHBondContact OD1-CB 3.28Å; D1190-I1192 PolarHBondContact OD1-N 2.87Å; I1192-L1194 VanDerWaalsContact C-N 3.27Å; I1192-L1194 PolarHBondContact O-N 2.97Å; I1192-A1195 WeakPolarHBondContact O-CB 3.03Å; I1192-A1195 PolarHBondContact O-N 3.21Å |
| 1193 | M | 77.3 | Confident | 85.4 | Confident | 113 Ų | 113 | 64.9 Ų | 64.9 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -38.3 | 170 | -73.6 | -170.5 | 171.1 | 0 | 0 | 111.7 | A1189 D1190 A1195 L1205 | A1189-M1193 HydrophobicContact CB-CB 4.49Å; A1189-M1193 HydrophobicContact CB-SD 4.46Å; D1190-M1193 PolarHBondContact O-N 2.72Å; D1190-M1193 PolarHBondContact OD1-N 3.37Å; M1193-A1195 PolarHBondContact O-N 3.14Å; M1193-L1205 HydrophobicContact CB-CD1 4.11Å; M1193-L1205 WeakPolarHBondContact O-CD1 3.3Å; M1193-L1205 WeakPolarHBondContact O-CG 3.34Å |
| 1194 | L | 82.1 | Confident | 85.2 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 24.9 | -177.3 | -59.3 | 173.1 | 0 | 0 | 0 | 113.8 | L1181 Q1184 K1185 A1189 D1190 I1192 K1196 L1205 | L1181-L1194 HydrophobicContact CD2-CB 3.87Å; L1181-L1194 HydrophobicContact CD2-CD1 4.37Å; L1181-L1194 HydrophobicContact CD2-CD2 3.94Å; L1181-L1194 HydrophobicContact CD2-CG 4.27Å; Q1184-L1194 HydrophobicContact CB-CD2 3.68Å; Q1184-L1194 HydrophobicContact CG-CD2 4.2Å; K1185-L1194 HydrophobicContact CD-CD1 4.13Å; K1185-L1194 HydrophobicContact CG-CD1 3.37Å; A1189-L1194 HydrophobicContact CB-CD1 4.01Å; A1189-L1194 HydrophobicContact CB-CD2 4.04Å; A1189-L1194 HydrophobicContact CB-CG 3.98Å; D1190-L1194 WeakPolarHBondContact O-CB 3.37Å; D1190-L1194 VanDerWaalsContact O-CG 3.27Å; D1190-L1194 WeakPolarHBondContact O-CG 3.33Å; D1190-L1194 PolarHBondContact O-N 3.17Å; I1192-L1194 VanDerWaalsContact C-N 3.27Å; I1192-L1194 PolarHBondContact O-N 2.97Å; L1194-K1196 PolarHBondContact O-N 2.76Å; L1194-L1205 HydrophobicContact CD2-CD1 4.33Å |
| 1195 | A | 85.1 | Confident | 85.2 | Confident | 43 Ų | 43 | 66.1 Ų | 66.1 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 131.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1192 M1193 T1204 | I1192-A1195 WeakPolarHBondContact O-CB 3.03Å; I1192-A1195 PolarHBondContact O-N 3.21Å; M1193-A1195 PolarHBondContact O-N 3.14Å; A1195-T1204 PolarHBondContact O-N 2.74Å; A1195-T1204 PolarHBondContact O-OG1 3.26Å |
| 1196 | K | 86.8 | Confident | 85.3 | Confident | 102 Ų | 102 | 61.5 Ų | 61.5 | 44% | 0.443 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -91.8 | 140.7 | 175 | -69.3 | 178.5 | 168.1 | -121.5 | 0 | 110.2 | D1178 L1194 G1201 I1202 | D1178-K1196 IonicContact OD1-NZ 3.29Å; L1194-K1196 PolarHBondContact O-N 2.76Å; K1196-G1201 VanDerWaalsContact CD-O 3.28Å; K1196-G1201 WeakPolarHBondContact CD-O 3.43Å; K1196-G1201 PolarHBondContact NZ-O 2.83Å; K1196-I1202 CarbonylContact C-O 3.55Å; K1196-I1202 WeakPolarHBondContact CA-O 3.41Å |
| 1197 | D | 84.4 | Confident | 85.3 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 20% | 0.203 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 124.3 | 162.4 | 163 | 36.3 | 0 | 0 | 0 | 109.1 | A1199 S1200 G1201 I1202 Y1207 | D1197-A1199 PolarHBondContact O-N 3.19Å; D1197-A1199 PolarHBondContact OD1-N 3.41Å; D1197-S1200 VanDerWaalsContact OD2-CB 3.24Å; D1197-S1200 WeakPolarHBondContact OD2-CB 3.31Å; D1197-S1200 PolarHBondContact OD2-N 3.22Å; D1197-S1200 PolarHBondContact OD2-OG 3.39Å; D1197-G1201 VanDerWaalsContact O-CA 3.28Å; D1197-G1201 WeakPolarHBondContact O-CA 3.42Å; D1197-G1201 PolarHBondContact O-N 2.53Å; D1197-I1202 PolarHBondContact N-O 2.92Å; D1197-Y1207 HydrophobicContact CB-CE2 4.28Å |
| 1198 | P | 82.4 | Confident | 85.4 | Confident | 134 Ų | 134 | 52.7 Ų | 52.7 | 87% | 0.87 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.3 | -179.9 | 27.3 | -36.1 | 0 | 0 | 0 | 113.8 | ||
| 1199 | A | 82.7 | Confident | 85.6 | Confident | 63 Ų | 63 | 50.4 Ų | 50.4 | 52% | 0.521 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -46 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1138 D1197 | Q1138-A1199 HydrophobicContact CG-CB 4.37Å; D1197-A1199 PolarHBondContact O-N 3.19Å; D1197-A1199 PolarHBondContact OD1-N 3.41Å |
| 1200 | S | 86.8 | Confident | 85.7 | Confident | 11 Ų | 11 | 51 Ų | 51 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -12.2 | -179.8 | 65.8 | 0 | 0 | 0 | 0 | 114.8 | H1174 D1197 I1202 Y1207 | H1174-S1200 PolarHBondContact CE1-O 3.3Å; D1197-S1200 VanDerWaalsContact OD2-CB 3.24Å; D1197-S1200 WeakPolarHBondContact OD2-CB 3.31Å; D1197-S1200 PolarHBondContact OD2-N 3.22Å; D1197-S1200 PolarHBondContact OD2-OG 3.39Å; S1200-I1202 PolarHBondContact O-N 2.77Å; S1200-Y1207 WeakPolarHBondContact CB-OH 3.22Å; S1200-Y1207 PolarHBondContact OG-OH 3.27Å |
| 1201 | G | 87.6 | Confident | 85.8 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 27% | 0.268 | 29% | 0.292 | S | S | . | . | trans | 68.9 | 7.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K1196 D1197 | K1196-G1201 VanDerWaalsContact CD-O 3.28Å; K1196-G1201 WeakPolarHBondContact CD-O 3.43Å; K1196-G1201 PolarHBondContact NZ-O 2.83Å; D1197-G1201 VanDerWaalsContact O-CA 3.28Å; D1197-G1201 WeakPolarHBondContact O-CA 3.42Å; D1197-G1201 PolarHBondContact O-N 2.53Å | ||
| 1202 | I | 92.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -88.8 | 143.8 | 179.4 | -56.3 | -57 | 0 | 0 | 0 | 110.6 | Y1141 L1144 V1173 N1177 K1196 D1197 S1200 L1206 Y1207 | Y1141-I1202 HydrophobicContact CD2-CG1 4.23Å; Y1141-I1202 HydrophobicContact CE2-CG1 4.24Å; L1144-I1202 HydrophobicContact CD1-CG2 4.1Å; V1173-I1202 HydrophobicContact CG1-CD1 3.9Å; V1173-I1202 HydrophobicContact CG1-CG1 4.4Å; N1177-I1202 HydrophobicContact CB-CD1 3.83Å; K1196-I1202 CarbonylContact C-O 3.55Å; K1196-I1202 WeakPolarHBondContact CA-O 3.41Å; D1197-I1202 PolarHBondContact N-O 2.92Å; S1200-I1202 PolarHBondContact O-N 2.77Å; I1202-L1206 HydrophobicContact CG2-CB 4.27Å; I1202-L1206 HydrophobicContact CG2-CD2 3.81Å; I1202-Y1207 HydrophobicContact CB-CE2 3.7Å; I1202-Y1207 HydrophobicContact CG2-CD2 4.23Å; I1202-Y1207 HydrophobicContact CG2-CE1 4.3Å; I1202-Y1207 HydrophobicContact CG2-CE2 3.76Å | ||
| 1203 | C | 90.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 132.4 | 177.6 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | N1177 F1180 L1181 L1205 L1206 Y1207 | N1177-C1203 WeakPolarHBondContact OD1-CB 3.36Å; N1177-C1203 PolarHBondContact OD1-N 2.9Å; F1180-C1203 HydrophobicContact CD1-CB 4.49Å; F1180-C1203 HydrophobicContact CE1-CB 4.46Å; L1181-C1203 HydrophobicContact CD2-CB 3.85Å; L1181-C1203 HydrophobicContact CG-CB 4.39Å; C1203-L1205 VanDerWaalsContact C-N 3.27Å; C1203-L1205 PolarHBondContact O-N 2.76Å; C1203-L1206 HydrophobicContact CB-CB 4.27Å; C1203-L1206 WeakPolarHBondContact O-CB 3.36Å; C1203-L1206 PolarHBondContact O-N 2.94Å; C1203-Y1207 PolarHBondContact O-N 3.31Å |
| 1204 | T | 87.1 | Confident | 86.1 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.3 | -35.7 | 178.2 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | A1195 L1206 Y1207 D1208 | A1195-T1204 PolarHBondContact O-N 2.74Å; A1195-T1204 PolarHBondContact O-OG1 3.26Å; T1204-L1206 VanDerWaalsContact C-N 3.28Å; T1204-L1206 PolarHBondContact O-N 2.75Å; T1204-Y1207 WeakPolarHBondContact O-CB 3.32Å; T1204-Y1207 PolarHBondContact O-N 3.25Å; T1204-D1208 PolarHBondContact O-N 2.82Å; T1204-D1208 VanDerWaalsContact O-N 3.16Å |
| 1205 | L | 88.1 | Confident | 86.1 | Confident | 50 Ų | 50 | 48.5 Ų | 48.5 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.4 | -23 | 173.8 | -66.7 | 179.7 | 0 | 0 | 0 | 113.7 | F1180 M1193 L1194 C1203 D1208 S1209 | F1180-L1205 HydrophobicContact CE1-CB 4.02Å; F1180-L1205 HydrophobicContact CZ-CB 3.99Å; M1193-L1205 HydrophobicContact CB-CD1 4.11Å; M1193-L1205 WeakPolarHBondContact O-CD1 3.3Å; M1193-L1205 WeakPolarHBondContact O-CG 3.34Å; L1194-L1205 HydrophobicContact CD2-CD1 4.33Å; C1203-L1205 VanDerWaalsContact C-N 3.27Å; C1203-L1205 PolarHBondContact O-N 2.76Å; L1205-D1208 CarbonylContact O-C 3.59Å; L1205-S1209 PolarHBondContact O-N 2.94Å; L1205-S1209 PolarHBondContact O-OG 3.1Å |
| 1206 | L | 90.1 | Very high | 86.3 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.9 | -39.2 | 172.2 | -172.9 | 71.2 | 0 | 0 | 0 | 110.6 | L1144 N1177 F1180 I1202 C1203 T1204 D1208 S1209 T1217 | L1144-L1206 HydrophobicContact CD1-CD2 4.31Å; N1177-L1206 HydrophobicContact CB-CD2 3.88Å; F1180-L1206 HydrophobicContact CB-CD1 3.98Å; F1180-L1206 HydrophobicContact CD1-CB 4.14Å; F1180-L1206 HydrophobicContact CD1-CD1 4.2Å; F1180-L1206 HydrophobicContact CD2-CD1 3.67Å; F1180-L1206 HydrophobicContact CE1-CB 4.15Å; F1180-L1206 HydrophobicContact CE2-CD1 4.14Å; F1180-L1206 HydrophobicContact CG-CD1 3.71Å; I1202-L1206 HydrophobicContact CG2-CB 4.27Å; I1202-L1206 HydrophobicContact CG2-CD2 3.81Å; C1203-L1206 HydrophobicContact CB-CB 4.27Å; C1203-L1206 WeakPolarHBondContact O-CB 3.36Å; C1203-L1206 PolarHBondContact O-N 2.94Å; T1204-L1206 VanDerWaalsContact C-N 3.28Å; T1204-L1206 PolarHBondContact O-N 2.75Å; L1206-D1208 PolarHBondContact O-N 3.43Å; L1206-S1209 WeakPolarHBondContact O-CB 3.34Å; L1206-S1209 PolarHBondContact O-N 3.02Å; L1206-S1209 VanDerWaalsContact O-N 3.15Å; L1206-T1217 HydrophobicContact CD1-CG2 3.98Å; L1206-T1217 HydrophobicContact CG-CG2 4.28Å; L1206-T1217 WeakPolarHBondContact O-CG2 3.19Å |
| 1207 | Y | 89.4 | Confident | 86.4 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -31.3 | 172.6 | -73.2 | -56.8 | 0 | 0 | 0 | 112.7 | W1072 Q1073 R1076 E1140 Y1141 L1144 D1197 S1200 I1202 C1203 T1204 | W1072-Y1207 CarbonylContact C-O 3.59Å; Q1073-Y1207 WeakPolarHBondContact CA-O 3.2Å; Q1073-Y1207 PolarHBondContact N-O 3.03Å; R1076-Y1207 PolarHBondContact NH1-O 3.3Å; E1140-Y1207 HydrophobicContact CB-CD1 3.63Å; E1140-Y1207 HydrophobicContact CB-CE1 3.73Å; E1140-Y1207 HydrophobicContact CB-CG 4.22Å; Y1141-Y1207 VanDerWaalsContact CB-OH 3.31Å; Y1141-Y1207 WeakPolarHBondContact CB-OH 3.4Å; Y1141-Y1207 WeakPolarHBondContact CD2-OH 3.41Å; L1144-Y1207 HydrophobicContact CD1-CD1 3.6Å; L1144-Y1207 HydrophobicContact CD1-CE1 3.35Å; L1144-Y1207 HydrophobicContact CG-CD1 4.01Å; L1144-Y1207 HydrophobicContact CG-CE1 3.87Å; D1197-Y1207 HydrophobicContact CB-CE2 4.28Å; S1200-Y1207 WeakPolarHBondContact CB-OH 3.22Å; S1200-Y1207 PolarHBondContact OG-OH 3.27Å; I1202-Y1207 HydrophobicContact CB-CE2 3.7Å; I1202-Y1207 HydrophobicContact CG2-CD2 4.23Å; I1202-Y1207 HydrophobicContact CG2-CE1 4.3Å; I1202-Y1207 HydrophobicContact CG2-CE2 3.76Å; C1203-Y1207 PolarHBondContact O-N 3.31Å; T1204-Y1207 WeakPolarHBondContact O-CB 3.32Å; T1204-Y1207 PolarHBondContact O-N 3.25Å |
| 1208 | D | 88.8 | Confident | 86.6 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 4.1 | 175.9 | -156.9 | 43.8 | 0 | 0 | 0 | 114.9 | G1070 Q1071 W1072 Q1073 T1204 L1205 L1206 | G1070-D1208 WeakPolarHBondContact CA-OD1 3.42Å; G1070-D1208 WeakPolarHBondContact CA-OD2 3.32Å; G1070-D1208 VanDerWaalsContact N-CG 3.29Å; G1070-D1208 PolarHBondContact N-OD1 3.5Å; G1070-D1208 PolarHBondContact N-OD2 2.82Å; Q1071-D1208 PolarHBondContact N-OD1 2.63Å; Q1071-D1208 VanDerWaalsContact N-OD1 3.15Å; W1072-D1208 WeakPolarHBondContact CB-O 3.17Å; W1072-D1208 PolarHBondContact N-OD1 2.72Å; Q1073-D1208 HydrophobicContact CB-CB 4.13Å; Q1073-D1208 PolarHBondContact N-OD1 3.12Å; T1204-D1208 PolarHBondContact O-N 2.82Å; T1204-D1208 VanDerWaalsContact O-N 3.16Å; L1205-D1208 CarbonylContact O-C 3.59Å; L1206-D1208 PolarHBondContact O-N 3.43Å |
| 1209 | S | 88.9 | Confident | 87 | Confident | 19 Ų | 19 | 36.6 Ų | 36.6 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -78.4 | 136.8 | 175.1 | -71.3 | 0 | 0 | 0 | 0 | 111.3 | R1076 F1180 L1205 L1206 | R1076-S1209 PolarHBondContact NH1-O 3.25Å; R1076-S1209 PolarHBondContact NH2-O 3.29Å; F1180-S1209 WeakPolarHBondContact CE2-OG 3.27Å; L1205-S1209 PolarHBondContact O-N 2.94Å; L1205-S1209 PolarHBondContact O-OG 3.1Å; L1206-S1209 WeakPolarHBondContact O-CB 3.34Å; L1206-S1209 PolarHBondContact O-N 3.02Å; L1206-S1209 VanDerWaalsContact O-N 3.15Å |
| 1210 | A | 87.6 | Confident | 87.5 | Confident | 33 Ų | 33 | 33.7 Ų | 33.7 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | trans | -56.7 | 151.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | W1072 S1212 G1216 T1217 | W1072-A1210 HydrophobicContact CD2-CB 4.43Å; W1072-A1210 HydrophobicContact CZ2-CB 4.08Å; A1210-S1212 VanDerWaalsContact C-N 3.28Å; A1210-S1212 PolarHBondContact O-N 3.48Å; A1210-G1216 CarbonylContact O-C 3.57Å; A1210-G1216 WeakPolarHBondContact O-CA 3.38Å; A1210-T1217 PolarHBondContact O-N 2.87Å | ||
| 1211 | P | 84.9 | Confident | 87.8 | Confident | 42 Ų | 42 | 33.4 Ų | 33.4 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -60.8 | -34.2 | 177.8 | -26.9 | 35.7 | 0 | 0 | 0 | 113.9 | W1072 T1217 M1218 | W1072-P1211 VanDerWaalsContact CE3-CD 3.48Å; W1072-P1211 HydrophobicContact CE3-CG 4.06Å; W1072-P1211 HydrophobicContact CH2-CG 4.4Å; W1072-P1211 VanDerWaalsContact CZ3-CD 3.43Å; W1072-P1211 HydrophobicContact CZ3-CG 3.83Å; P1211-T1217 WeakPolarHBondContact CA-OG1 3.47Å; P1211-M1218 HydrophobicContact CB-CG 4.5Å; P1211-M1218 WeakPolarHBondContact O-CB 3.43Å; P1211-M1218 WeakPolarHBondContact O-CG 3.45Å; P1211-M1218 PolarHBondContact O-N 3.03Å; P1211-M1218 VanDerWaalsContact O-N 3.09Å |
| 1212 | S | 82.2 | Confident | 88 | Confident | 72 Ų | 72 | 33.8 Ų | 33.8 | 50% | 0.503 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -120.9 | 167.6 | -174.7 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | A1210 | A1210-S1212 VanDerWaalsContact C-N 3.28Å; A1210-S1212 PolarHBondContact O-N 3.48Å |
| 1213 | G | 81.7 | Confident | 87.8 | Confident | 48 Ų | 48 | 37.9 Ų | 37.9 | 50% | 0.495 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 98.9 | 176 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1215 G1216 T1219 | G1213-F1215 VanDerWaalsContact C-N 3.3Å; G1213-F1215 PolarHBondContact O-N 3.01Å; G1213-G1216 PolarHBondContact O-N 2.84Å; G1213-T1219 PolarHBondContact O-OG1 2.79Å |
| 1214 | R | 77.9 | Confident | 87.9 | Confident | 175 Ų | 175 | 37.9 Ų | 37.9 | 66% | 0.66 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -44.3 | -173.4 | 175.6 | 177.4 | 168.6 | 166 | -1.2 | 113 | E1183 | E1183-R1214 IonicContact OE1-CZ 2.73Å; E1183-R1214 IonicContact OE1-NE 2.81Å; E1183-R1214 IonicContact OE1-NH2 3.23Å; E1183-R1214 PolarHBondContact OE1-NH2 2.79Å |
| 1215 | F | 82.6 | Confident | 88 | Confident | 78 Ų | 78 | 35.8 Ų | 35.8 | 34% | 0.342 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 15.2 | -179.3 | -54.1 | -69.1 | 0 | 0 | 0 | 112.4 | E1183 L1187 G1213 Y1220 | E1183-F1215 HydrophobicContact CG-CE1 4.22Å; E1183-F1215 WeakPolarHBondContact OE1-CE1 3.43Å; L1187-F1215 HydrophobicContact CD1-CD1 4.44Å; L1187-F1215 HydrophobicContact CD1-CE1 3.68Å; L1187-F1215 HydrophobicContact CD1-CZ 3.93Å; G1213-F1215 VanDerWaalsContact C-N 3.3Å; G1213-F1215 PolarHBondContact O-N 3.01Å; F1215-Y1220 WeakPolarHBondContact CD1-OH 3.25Å |
| 1216 | G | 87.6 | Confident | 87.9 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -80.5 | 152.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1210 G1213 M1218 T1219 Y1220 | A1210-G1216 CarbonylContact O-C 3.57Å; A1210-G1216 WeakPolarHBondContact O-CA 3.38Å; G1213-G1216 PolarHBondContact O-N 2.84Å; G1216-M1218 VanDerWaalsContact C-N 3.33Å; G1216-M1218 PolarHBondContact O-N 2.7Å; G1216-T1219 WeakPolarHBondContact O-CB 3.5Å; G1216-T1219 PolarHBondContact O-N 3.3Å; G1216-Y1220 WeakPolarHBondContact O-CD2 3.46Å; G1216-Y1220 PolarHBondContact O-N 3.34Å |
| 1217 | T | 90.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.1 | -42.6 | -173.9 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | R1076 L1144 E1147 L1206 A1210 P1211 T1219 Y1220 L1221 | R1076-T1217 VanDerWaalsContact NH2-CG2 3.31Å; R1076-T1217 PolarHBondContact NH2-OG1 2.99Å; L1144-T1217 HydrophobicContact CD2-CG2 4.11Å; E1147-T1217 WeakPolarHBondContact OE2-CB 3.28Å; E1147-T1217 PolarHBondContact OE2-OG1 3.27Å; L1206-T1217 HydrophobicContact CD1-CG2 3.98Å; L1206-T1217 HydrophobicContact CG-CG2 4.28Å; L1206-T1217 WeakPolarHBondContact O-CG2 3.19Å; A1210-T1217 PolarHBondContact O-N 2.87Å; P1211-T1217 WeakPolarHBondContact CA-OG1 3.47Å; T1217-T1219 PolarHBondContact O-N 3.16Å; T1217-Y1220 PolarHBondContact O-N 3.04Å; T1217-Y1220 VanDerWaalsContact O-N 3.11Å; T1217-L1221 WeakPolarHBondContact O-CB 3.43Å; T1217-L1221 WeakPolarHBondContact O-CG 3.24Å; T1217-L1221 PolarHBondContact O-N 2.97Å |
| 1218 | M | 89.1 | Confident | 87.5 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 11% | 0.108 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -29 | 179.1 | -64.2 | -70.3 | -70.5 | 0 | 0 | 112.5 | E1147 L1150 V1151 M1154 P1211 G1216 S1222 | E1147-M1218 HydrophobicContact CB-SD 3.99Å; E1147-M1218 HydrophobicContact CG-SD 4.32Å; L1150-M1218 HydrophobicContact CD2-CE 4.24Å; V1151-M1218 HydrophobicContact CG2-CE 3.51Å; V1151-M1218 HydrophobicContact CG2-SD 3.96Å; M1154-M1218 HydrophobicContact CE-CE 4.24Å; P1211-M1218 HydrophobicContact CB-CG 4.5Å; P1211-M1218 WeakPolarHBondContact O-CB 3.43Å; P1211-M1218 WeakPolarHBondContact O-CG 3.45Å; P1211-M1218 PolarHBondContact O-N 3.03Å; P1211-M1218 VanDerWaalsContact O-N 3.09Å; G1216-M1218 VanDerWaalsContact C-N 3.33Å; G1216-M1218 PolarHBondContact O-N 2.7Å; M1218-S1222 WeakPolarHBondContact O-CB 3.36Å; M1218-S1222 PolarHBondContact O-N 3.07Å; M1218-S1222 PolarHBondContact O-OG 2.97Å |
| 1219 | T | 90 | Very high | 87 | Confident | 40 Ų | 40 | 38.6 Ų | 38.6 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.7 | -42.6 | 175.9 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | G1213 G1216 T1217 K1223 | G1213-T1219 PolarHBondContact O-OG1 2.79Å; G1216-T1219 WeakPolarHBondContact O-CB 3.5Å; G1216-T1219 PolarHBondContact O-N 3.3Å; T1217-T1219 PolarHBondContact O-N 3.16Å; T1219-K1223 VanDerWaalsContact O-CG 3.32Å; T1219-K1223 WeakPolarHBondContact O-CG 3.49Å; T1219-K1223 PolarHBondContact O-N 3.14Å; T1219-K1223 VanDerWaalsContact O-N 3.11Å |
| 1220 | Y | 93.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.7 | -40.6 | 176.4 | -66.5 | -75.8 | 0 | 0 | 0 | 112.4 | L1179 F1180 E1183 F1215 G1216 T1217 S1222 K1223 A1224 | L1179-Y1220 HydrophobicContact CB-CD1 3.95Å; F1180-Y1220 HydrophobicContact CB-CD1 4.2Å; F1180-Y1220 HydrophobicContact CB-CD2 4.31Å; F1180-Y1220 HydrophobicContact CB-CE1 4.3Å; F1180-Y1220 HydrophobicContact CB-CE2 4.38Å; F1180-Y1220 HydrophobicContact CB-CG 4.23Å; F1180-Y1220 HydrophobicContact CD2-CD2 4Å; F1180-Y1220 AromaticContact CD2-CE2 3.62Å; F1180-Y1220 HydrophobicContact CD2-CE2 3.62Å; F1180-Y1220 HydrophobicContact CE2-CE2 4.47Å; F1180-Y1220 HydrophobicContact CG-CE2 4.49Å; E1183-Y1220 HydrophobicContact CB-CE1 4.47Å; E1183-Y1220 VanDerWaalsContact CD-OH 3.29Å; E1183-Y1220 WeakPolarHBondContact OE2-CE1 3.41Å; E1183-Y1220 PolarHBondContact OE2-OH 2.7Å; F1215-Y1220 WeakPolarHBondContact CD1-OH 3.25Å; G1216-Y1220 WeakPolarHBondContact O-CD2 3.46Å; G1216-Y1220 PolarHBondContact O-N 3.34Å; T1217-Y1220 PolarHBondContact O-N 3.04Å; T1217-Y1220 VanDerWaalsContact O-N 3.11Å; Y1220-S1222 VanDerWaalsContact C-N 3.32Å; Y1220-S1222 PolarHBondContact O-N 2.63Å; Y1220-K1223 HydrophobicContact CD1-CD 4.4Å; Y1220-K1223 PolarHBondContact O-N 2.84Å; Y1220-A1224 VanDerWaalsContact O-CB 3.28Å; Y1220-A1224 WeakPolarHBondContact O-CB 3.49Å; Y1220-A1224 PolarHBondContact O-N 3.05Å |
| 1221 | L | 93.3 | Very high | 85.4 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 174.2 | -68.9 | 170.1 | 0 | 0 | 0 | 111.7 | E1147 A1148 V1151 I1172 V1173 A1176 T1217 A1224 A1225 | E1147-L1221 HydrophobicContact CB-CD1 3.58Å; A1148-L1221 HydrophobicContact CB-CD2 3.9Å; V1151-L1221 HydrophobicContact CG2-CB 3.99Å; I1172-L1221 HydrophobicContact CG2-CD2 4.39Å; V1173-L1221 HydrophobicContact CG2-CD2 4.09Å; A1176-L1221 HydrophobicContact CB-CD2 3.76Å; A1176-L1221 HydrophobicContact CB-CG 4.22Å; T1217-L1221 WeakPolarHBondContact O-CB 3.43Å; T1217-L1221 WeakPolarHBondContact O-CG 3.24Å; T1217-L1221 PolarHBondContact O-N 2.97Å; L1221-A1224 PolarHBondContact O-N 3.37Å; L1221-A1225 WeakPolarHBondContact O-CB 3.28Å; L1221-A1225 PolarHBondContact O-N 3.44Å |
| 1222 | S | 90.3 | Very high | 84.7 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 175.1 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | M1218 Y1220 A1226 | M1218-S1222 WeakPolarHBondContact O-CB 3.36Å; M1218-S1222 PolarHBondContact O-N 3.07Å; M1218-S1222 PolarHBondContact O-OG 2.97Å; Y1220-S1222 VanDerWaalsContact C-N 3.32Å; Y1220-S1222 PolarHBondContact O-N 2.63Å; S1222-A1226 WeakPolarHBondContact O-CB 3.5Å; S1222-A1226 PolarHBondContact O-N 3.19Å |
| 1223 | K | 89.9 | Confident | 83.8 | Confident | 86 Ų | 86 | 47 Ų | 47 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.4 | -51.8 | 172.2 | -71.4 | 167.6 | -177.7 | 174 | 0 | 110.7 | L1179 E1183 T1219 Y1220 A1226 T1227 | L1179-K1223 HydrophobicContact CD1-CB 3.99Å; E1183-K1223 IonicContact OE2-NZ 2.81Å; T1219-K1223 VanDerWaalsContact O-CG 3.32Å; T1219-K1223 WeakPolarHBondContact O-CG 3.49Å; T1219-K1223 PolarHBondContact O-N 3.14Å; T1219-K1223 VanDerWaalsContact O-N 3.11Å; Y1220-K1223 HydrophobicContact CD1-CD 4.4Å; Y1220-K1223 PolarHBondContact O-N 2.84Å; K1223-A1226 PolarHBondContact O-N 3.16Å; K1223-T1227 PolarHBondContact O-N 2.95Å; K1223-T1227 PolarHBondContact O-OG1 3.16Å |
| 1224 | A | 92.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1172 I1175 A1176 L1179 Y1220 L1221 T1227 Y1228 | I1172-A1224 HydrophobicContact CG2-CB 3.97Å; I1172-A1224 WeakPolarHBondContact O-CB 3.25Å; I1175-A1224 HydrophobicContact CB-CB 3.92Å; I1175-A1224 HydrophobicContact CG2-CB 3.64Å; A1176-A1224 HydrophobicContact CB-CB 3.83Å; L1179-A1224 HydrophobicContact CD1-CB 4.47Å; Y1220-A1224 VanDerWaalsContact O-CB 3.28Å; Y1220-A1224 WeakPolarHBondContact O-CB 3.49Å; Y1220-A1224 PolarHBondContact O-N 3.05Å; L1221-A1224 PolarHBondContact O-N 3.37Å; A1224-T1227 PolarHBondContact O-N 3.26Å; A1224-Y1228 WeakPolarHBondContact O-CB 3.44Å; A1224-Y1228 PolarHBondContact O-N 3.46Å |
| 1225 | A | 89 | Confident | 81.4 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1151 L1152 I1172 L1221 V1229 | V1151-A1225 HydrophobicContact CG1-CB 3.66Å; L1152-A1225 HydrophobicContact CD2-CB 4.34Å; I1172-A1225 HydrophobicContact CD1-CB 4.43Å; I1172-A1225 HydrophobicContact CG2-CB 4.04Å; L1221-A1225 WeakPolarHBondContact O-CB 3.28Å; L1221-A1225 PolarHBondContact O-N 3.44Å; A1225-V1229 VanDerWaalsContact O-CB 3.3Å; A1225-V1229 WeakPolarHBondContact O-CB 3.32Å; A1225-V1229 VanDerWaalsContact O-CG2 3.29Å; A1225-V1229 WeakPolarHBondContact O-CG2 3.21Å; A1225-V1229 PolarHBondContact O-N 3.29Å |
| 1226 | A | 85.3 | Confident | 79.6 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 44% | 0.438 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.4 | -50.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1222 K1223 Y1228 Q1230 | S1222-A1226 WeakPolarHBondContact O-CB 3.5Å; S1222-A1226 PolarHBondContact O-N 3.19Å; K1223-A1226 PolarHBondContact O-N 3.16Å; A1226-Y1228 PolarHBondContact O-N 3.43Å; A1226-Q1230 WeakPolarHBondContact O-CB 3Å; A1226-Q1230 PolarHBondContact O-N 2.97Å |
| 1227 | T | 85.6 | Confident | 77.5 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 47% | 0.466 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 176.7 | -59.7 | 0 | 0 | 0 | 0 | 112 | K1223 A1224 Q1230 | K1223-T1227 PolarHBondContact O-N 2.95Å; K1223-T1227 PolarHBondContact O-OG1 3.16Å; A1224-T1227 PolarHBondContact O-N 3.26Å; T1227-Q1230 PolarHBondContact O-N 2.98Å |
| 1228 | Y | 85.7 | Confident | 75.3 | Confident | 17 Ų | 17 | 59.4 Ų | 59.4 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.9 | -39.5 | -177.1 | -174.9 | -118.5 | 0 | 0 | 0 | 112.9 | I1167 K1171 I1172 I1175 A1224 A1226 Q1230 E1231 F1232 | I1167-Y1228 HydrophobicContact CG2-CD1 4.29Å; I1167-Y1228 HydrophobicContact CG2-CE1 3.96Å; K1171-Y1228 HydrophobicContact CD-CE2 4.4Å; I1172-Y1228 HydrophobicContact CD1-CD1 3.85Å; I1172-Y1228 HydrophobicContact CD1-CE1 4.45Å; I1172-Y1228 HydrophobicContact CG1-CD1 3.5Å; I1172-Y1228 VanDerWaalsContact CG1-CD1 3.5Å; I1172-Y1228 HydrophobicContact CG1-CE1 4.19Å; I1172-Y1228 HydrophobicContact CG1-CG 4.1Å; I1175-Y1228 HydrophobicContact CD1-CD2 4.14Å; I1175-Y1228 HydrophobicContact CD1-CG 4.43Å; A1224-Y1228 WeakPolarHBondContact O-CB 3.44Å; A1224-Y1228 PolarHBondContact O-N 3.46Å; A1226-Y1228 PolarHBondContact O-N 3.43Å; Y1228-Q1230 VanDerWaalsContact C-N 3.33Å; Y1228-E1231 PolarHBondContact O-N 3.3Å; Y1228-F1232 HydrophobicContact CD1-CE2 4.31Å; Y1228-F1232 HydrophobicContact CD2-CE2 4.26Å; Y1228-F1232 AromaticContact CE1-CE2 3.95Å; Y1228-F1232 HydrophobicContact CE1-CE2 3.95Å; Y1228-F1232 AromaticContact CE2-CE2 3.86Å; Y1228-F1232 HydrophobicContact CE2-CE2 3.86Å; Y1228-F1232 HydrophobicContact CE2-CZ 4.1Å; Y1228-F1232 HydrophobicContact CG-CE2 4.46Å; Y1228-F1232 AromaticContact CZ-CE2 3.69Å; Y1228-F1232 AromaticContact CZ-CZ 3.95Å; Y1228-F1232 VanDerWaalsContact O-CD2 3.25Å; Y1228-F1232 WeakPolarHBondContact O-CD2 3.25Å; Y1228-F1232 WeakPolarHBondContact O-CE2 3.32Å |
| 1229 | V | 78.7 | Confident | 73.1 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.1 | -28.8 | 176.8 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | L1152 L1155 I1163 A1225 E1231 F1232 L1233 | L1152-V1229 HydrophobicContact CD2-CG2 4.02Å; L1155-V1229 HydrophobicContact CD1-CB 4.34Å; L1155-V1229 HydrophobicContact CD1-CG1 4.15Å; L1155-V1229 HydrophobicContact CD1-CG2 3.85Å; I1163-V1229 HydrophobicContact CG2-CG1 4.24Å; A1225-V1229 VanDerWaalsContact O-CB 3.3Å; A1225-V1229 WeakPolarHBondContact O-CB 3.32Å; A1225-V1229 VanDerWaalsContact O-CG2 3.29Å; A1225-V1229 WeakPolarHBondContact O-CG2 3.21Å; A1225-V1229 PolarHBondContact O-N 3.29Å; V1229-E1231 PolarHBondContact O-N 2.79Å; V1229-F1232 PolarHBondContact O-N 2.93Å; V1229-L1233 HydrophobicContact CG1-CD1 4.27Å; V1229-L1233 HydrophobicContact CG1-CG 4.23Å; V1229-L1233 PolarHBondContact O-N 3.08Å |
| 1230 | Q | 74.1 | Confident | 70.7 | Confident | 109 Ų | 109 | 64.8 Ų | 64.8 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.9 | -29 | 175.1 | -171.4 | 178.9 | 1.8 | 0 | 0 | 113 | A1226 T1227 Y1228 F1232 | A1226-Q1230 WeakPolarHBondContact O-CB 3Å; A1226-Q1230 PolarHBondContact O-N 2.97Å; T1227-Q1230 PolarHBondContact O-N 2.98Å; Y1228-Q1230 VanDerWaalsContact C-N 3.33Å; Q1230-F1232 PolarHBondContact O-N 3.14Å |
| 1231 | E | 70 | Confident | 67.8 | Low | 142 Ų | 142 | 71.9 Ų | 71.9 | 66% | 0.664 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.5 | 175.9 | -59.5 | -170.7 | 153.3 | 0 | 0 | 113.6 | Y1228 V1229 | Y1228-E1231 PolarHBondContact O-N 3.3Å; V1229-E1231 PolarHBondContact O-N 2.79Å |
| 1232 | F | 68.7 | Low | 66.5 | Low | 71 Ų | 71 | 75.3 Ų | 75.3 | 31% | 0.311 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -12.4 | -176.3 | -55.9 | -72.2 | 0 | 0 | 0 | 114.1 | I1163 S1165 Y1228 V1229 Q1230 | I1163-F1232 HydrophobicContact CG2-CB 4.07Å; S1165-F1232 VanDerWaalsContact OG-CD1 3.3Å; S1165-F1232 WeakPolarHBondContact OG-CD1 3.49Å; S1165-F1232 VanDerWaalsContact OG-CG 3.24Å; S1165-F1232 WeakPolarHBondContact OG-CG 3.28Å; Y1228-F1232 HydrophobicContact CD1-CE2 4.31Å; Y1228-F1232 HydrophobicContact CD2-CE2 4.26Å; Y1228-F1232 AromaticContact CE1-CE2 3.95Å; Y1228-F1232 HydrophobicContact CE1-CE2 3.95Å; Y1228-F1232 AromaticContact CE2-CE2 3.86Å; Y1228-F1232 HydrophobicContact CE2-CE2 3.86Å; Y1228-F1232 HydrophobicContact CE2-CZ 4.1Å; Y1228-F1232 HydrophobicContact CG-CE2 4.46Å; Y1228-F1232 AromaticContact CZ-CE2 3.69Å; Y1228-F1232 AromaticContact CZ-CZ 3.95Å; Y1228-F1232 VanDerWaalsContact O-CD2 3.25Å; Y1228-F1232 WeakPolarHBondContact O-CD2 3.25Å; Y1228-F1232 WeakPolarHBondContact O-CE2 3.32Å; V1229-F1232 PolarHBondContact O-N 2.93Å; Q1230-F1232 PolarHBondContact O-N 3.14Å |
| 1233 | L | 64.7 | Low | 65.3 | Low | 20 Ų | 20 | 77.4 Ų | 77.4 | 11% | 0.105 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -78.3 | 137.5 | 179.3 | -68.5 | 172.9 | 0 | 0 | 0 | 111.2 | I1160 V1229 H1235 M1240 | I1160-L1233 HydrophobicContact CD1-CD2 4.17Å; I1160-L1233 HydrophobicContact CG2-CD2 4Å; V1229-L1233 HydrophobicContact CG1-CD1 4.27Å; V1229-L1233 HydrophobicContact CG1-CG 4.23Å; V1229-L1233 PolarHBondContact O-N 3.08Å; L1233-H1235 PolarHBondContact O-N 2.79Å; L1233-M1240 HydrophobicContact CD1-SD 3.65Å |
| 1234 | P | 58.3 | Low | 63.9 | Low | 69 Ų | 69 | 76.9 Ų | 76.9 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | trans | -62.3 | 136 | 174.9 | 26.8 | -34 | 0 | 0 | 0 | 110.3 | S1236 L1237 | P1234-S1236 PolarHBondContact O-N 3.48Å; P1234-L1237 HydrophobicContact CG-CD1 4.21Å; P1234-L1237 PolarHBondContact O-N 2.73Å | ||
| 1235 | H | 50.4 | Low | 62.2 | Low | 200 Ų | 200 | 81.5 Ų | 81.5 | 93% | 0.926 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 4.7 | -171.5 | -56.8 | -38.8 | 0 | 0 | 0 | 116.2 | L1233 | L1233-H1235 PolarHBondContact O-N 2.79Š|
| 1236 | S | 44.7 | Very low | 60.6 | Low | 101 Ų | 101 | 86.4 Ų | 86.4 | 71% | 0.706 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -15.9 | 177 | 49.9 | 0 | 0 | 0 | 0 | 114.5 | P1234 C1238 | P1234-S1236 PolarHBondContact O-N 3.48Å; S1236-C1238 PolarHBondContact O-N 2.76Å |
| 1237 | L | 44.2 | Very low | 58.9 | Low | 96 Ų | 96 | 88.6 Ų | 88.6 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | trans | -92.5 | 73.1 | -176.5 | -73.3 | 172.6 | 0 | 0 | 0 | 112.7 | P1234 A1239 | P1234-L1237 HydrophobicContact CG-CD1 4.21Å; P1234-L1237 PolarHBondContact O-N 2.73Å; L1237-A1239 PolarHBondContact O-N 2.96Å | ||
| 1238 | C | 42.7 | Very low | 57 | Low | 101 Ų | 101 | 89.5 Ų | 89.5 | 68% | 0.682 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -71.1 | 8.5 | -178.6 | -152.6 | 0 | 0 | 0 | 0 | 115.1 | S1236 | S1236-C1238 PolarHBondContact O-N 2.76Š|
| 1239 | A | 42.3 | Very low | 54.8 | Low | 90 Ų | 90 | 95.1 Ų | 95.1 | 74% | 0.744 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -85.4 | -6.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | L1237 | L1237-A1239 PolarHBondContact O-N 2.96Š|
| 1240 | M | 39.9 | Very low | 52.8 | Low | 85 Ų | 85 | 102.9 Ų | 102.9 | 42% | 0.419 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -99.3 | 7.7 | -178.5 | -77 | -164.3 | 73.4 | 0 | 0 | 115 | L1155 I1158 I1160 L1233 | L1155-M1240 HydrophobicContact CD2-CE 3.77Å; I1158-M1240 HydrophobicContact CD1-CE 4.15Å; I1160-M1240 HydrophobicContact CD1-SD 3.74Å; L1233-M1240 HydrophobicContact CD1-SD 3.65Å |
| 1241 | Q | 33.7 | Very low | 50.9 | Low | 151 Ų | 151 | 102.4 Ų | 102.4 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | trans | -102.2 | 0 | 169.3 | -66.1 | -170.6 | -43.8 | 0 | 0 | 110.6 | R1017 | R1017-Q1241 PolarHBondContact NH1-OXT 2.79Å; R1017-Q1241 PolarHBondContact NH2-O 3.07Å; R1017-Q1241 PolarHBondContact NH2-OXT 2.75Å; R1017-Q1241 VanDerWaalsContact NH2-OXT 3.17Å |
Retrieved 1,241 of 1,241 residues in 281.5 ms
(Link to these results)